USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 879 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 99 GLN : amide:sc= 0.763 K(o=1.6,f=-2.1) USER MOD Set 1.2: A 101 LYS NZ :NH3+ 164:sc= 0.881 (180deg=0) USER MOD Set 2.1: A 94 SER OG : rot 180:sc= 0.429 USER MOD Set 2.2: A 95 GLN : amide:sc= 0.42 X(o=0.85,f=0.67) USER MOD Set 3.1: A 84 GLN : amide:sc= 2.05 K(o=3.2,f=-6.2!) USER MOD Set 3.2: A 87 LYS NZ :NH3+ 165:sc= 1.16 (180deg=-0.00937) USER MOD Set 4.1: A 65 ASN : amide:sc= 0.746 K(o=1.5,f=-1.4) USER MOD Set 4.2: A 81 GLN : amide:sc= 0.714 K(o=1.5,f=-1.4) USER MOD Set 5.1: A 67 ASN : amide:sc= 0.669 K(o=1.3,f=0) USER MOD Set 5.2: A 79 GLN : amide:sc= 0.609 K(o=1.3,f=-0.26) USER MOD Set 6.1: A 31 GLN : amide:sc= 1.24 K(o=2,f=-5.2!) USER MOD Set 6.2: A 32 GLN : amide:sc= 0.767 K(o=2,f=0.55) USER MOD Set 6.3: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 27 HIS : no HE2:sc= 0.764 K(o=1.2,f=-4.6!) USER MOD Set 7.2: A 106 HIS : no HE2:sc= 0.481 K(o=1.2,f=-4!) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.125) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0116 (180deg=-0.0179) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.0529 X(o=-0.053,f=-0.047) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 22 THR OG1 : rot 122:sc= 0.175 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.875 K(o=0.87,f=-2.5) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 70:sc= 1.53 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 1.97 K(o=2,f=-5.3!) USER MOD Single : A 49 TYR OH : rot -44:sc= 0.00459 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0.454 (180deg=0.447) USER MOD Single : A 60 LYS NZ :NH3+ 153:sc= 0.659 (180deg=0.326) USER MOD Single : A 64 CYS SG : rot 48:sc= 0.0969 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 164:sc= 0 (180deg=-0.0166) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.394 -34.816 24.376 1.00 0.00 N ATOM 2 CA MET A 1 -3.209 -35.704 24.115 1.00 0.00 C ATOM 3 C MET A 1 -2.355 -35.964 25.380 1.00 0.00 C ATOM 4 O MET A 1 -2.374 -35.164 26.315 1.00 0.00 O ATOM 5 CB MET A 1 -2.300 -35.141 23.001 1.00 0.00 C ATOM 6 CG MET A 1 -2.970 -35.088 21.620 1.00 0.00 C ATOM 7 SD MET A 1 -1.898 -34.484 20.285 1.00 0.00 S ATOM 8 CE MET A 1 -0.747 -35.875 20.127 1.00 0.00 C ATOM 0 H1 MET A 1 -5.271 -35.349 24.208 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.372 -34.488 25.363 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.360 -33.995 23.738 1.00 0.00 H new ATOM 0 HA MET A 1 -3.634 -36.654 23.790 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.981 -34.136 23.278 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.401 -35.754 22.935 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.322 -36.087 21.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.849 -34.446 21.681 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.136 -35.742 19.234 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.103 -35.916 21.005 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.309 -36.805 20.046 1.00 0.00 H new ATOM 20 N SER A 2 -1.597 -37.062 25.408 1.00 0.00 N ATOM 21 CA SER A 2 -0.756 -37.465 26.555 1.00 0.00 C ATOM 22 C SER A 2 0.633 -36.788 26.592 1.00 0.00 C ATOM 23 O SER A 2 1.358 -36.915 27.581 1.00 0.00 O ATOM 24 CB SER A 2 -0.567 -38.993 26.528 1.00 0.00 C ATOM 25 OG SER A 2 -1.807 -39.687 26.415 1.00 0.00 O ATOM 0 H SER A 2 -1.544 -37.713 24.624 1.00 0.00 H new ATOM 0 HA SER A 2 -1.283 -37.137 27.451 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.076 -39.263 25.690 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.056 -39.310 27.437 1.00 0.00 H new ATOM 0 HG SER A 2 -1.641 -40.653 26.400 1.00 0.00 H new ATOM 31 N ILE A 3 1.029 -36.083 25.523 1.00 0.00 N ATOM 32 CA ILE A 3 2.328 -35.389 25.405 1.00 0.00 C ATOM 33 C ILE A 3 2.429 -34.136 26.296 1.00 0.00 C ATOM 34 O ILE A 3 1.422 -33.520 26.657 1.00 0.00 O ATOM 35 CB ILE A 3 2.667 -35.069 23.930 1.00 0.00 C ATOM 36 CG1 ILE A 3 1.665 -34.080 23.292 1.00 0.00 C ATOM 37 CG2 ILE A 3 2.784 -36.379 23.126 1.00 0.00 C ATOM 38 CD1 ILE A 3 2.070 -33.637 21.883 1.00 0.00 C ATOM 0 H ILE A 3 0.444 -35.974 24.694 1.00 0.00 H new ATOM 0 HA ILE A 3 3.079 -36.085 25.778 1.00 0.00 H new ATOM 0 HB ILE A 3 3.631 -34.561 23.907 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.681 -34.546 23.251 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.575 -33.201 23.931 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.023 -36.149 22.088 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.574 -36.998 23.551 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.838 -36.918 23.170 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.325 -32.944 21.491 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.041 -33.143 21.922 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.132 -34.509 21.231 1.00 0.00 H new ATOM 50 N GLU A 4 3.660 -33.745 26.623 1.00 0.00 N ATOM 51 CA GLU A 4 3.985 -32.516 27.351 1.00 0.00 C ATOM 52 C GLU A 4 3.907 -31.264 26.455 1.00 0.00 C ATOM 53 O GLU A 4 4.031 -31.340 25.228 1.00 0.00 O ATOM 54 CB GLU A 4 5.360 -32.635 28.046 1.00 0.00 C ATOM 55 CG GLU A 4 6.572 -32.892 27.131 1.00 0.00 C ATOM 56 CD GLU A 4 6.773 -34.386 26.820 1.00 0.00 C ATOM 57 OE1 GLU A 4 6.096 -34.914 25.906 1.00 0.00 O ATOM 58 OE2 GLU A 4 7.608 -35.040 27.488 1.00 0.00 O ATOM 0 H GLU A 4 4.486 -34.292 26.381 1.00 0.00 H new ATOM 0 HA GLU A 4 3.226 -32.388 28.123 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.542 -31.716 28.603 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.305 -33.444 28.775 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.440 -32.345 26.197 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.471 -32.500 27.606 1.00 0.00 H new ATOM 65 N ASN A 5 3.718 -30.095 27.077 1.00 0.00 N ATOM 66 CA ASN A 5 3.549 -28.798 26.397 1.00 0.00 C ATOM 67 C ASN A 5 4.068 -27.611 27.250 1.00 0.00 C ATOM 68 O ASN A 5 3.542 -26.496 27.188 1.00 0.00 O ATOM 69 CB ASN A 5 2.070 -28.662 25.973 1.00 0.00 C ATOM 70 CG ASN A 5 1.835 -27.557 24.944 1.00 0.00 C ATOM 71 OD1 ASN A 5 1.112 -26.596 25.181 1.00 0.00 O ATOM 72 ND2 ASN A 5 2.422 -27.667 23.764 1.00 0.00 N ATOM 0 H ASN A 5 3.677 -30.019 28.093 1.00 0.00 H new ATOM 0 HA ASN A 5 4.168 -28.766 25.500 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.729 -29.611 25.560 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.463 -28.462 26.856 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.273 -26.952 23.052 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.024 -28.466 23.566 1.00 0.00 H new ATOM 79 N LEU A 6 5.084 -27.859 28.089 1.00 0.00 N ATOM 80 CA LEU A 6 5.681 -26.883 29.013 1.00 0.00 C ATOM 81 C LEU A 6 6.396 -25.771 28.221 1.00 0.00 C ATOM 82 O LEU A 6 7.335 -26.036 27.467 1.00 0.00 O ATOM 83 CB LEU A 6 6.608 -27.653 29.982 1.00 0.00 C ATOM 84 CG LEU A 6 6.930 -26.959 31.324 1.00 0.00 C ATOM 85 CD1 LEU A 6 7.730 -27.930 32.207 1.00 0.00 C ATOM 86 CD2 LEU A 6 7.728 -25.656 31.176 1.00 0.00 C ATOM 0 H LEU A 6 5.528 -28.776 28.145 1.00 0.00 H new ATOM 0 HA LEU A 6 4.922 -26.375 29.608 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.150 -28.618 30.198 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.548 -27.854 29.468 1.00 0.00 H new ATOM 0 HG LEU A 6 5.973 -26.692 31.773 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.963 -27.450 33.157 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.139 -28.827 32.389 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.657 -28.202 31.702 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.914 -25.229 32.162 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.679 -25.865 30.686 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.158 -24.947 30.575 1.00 0.00 H new ATOM 98 N LYS A 7 5.945 -24.523 28.378 1.00 0.00 N ATOM 99 CA LYS A 7 6.479 -23.352 27.668 1.00 0.00 C ATOM 100 C LYS A 7 7.874 -22.934 28.183 1.00 0.00 C ATOM 101 O LYS A 7 8.057 -22.655 29.369 1.00 0.00 O ATOM 102 CB LYS A 7 5.447 -22.211 27.794 1.00 0.00 C ATOM 103 CG LYS A 7 5.863 -20.862 27.179 1.00 0.00 C ATOM 104 CD LYS A 7 6.104 -20.904 25.665 1.00 0.00 C ATOM 105 CE LYS A 7 6.467 -19.494 25.175 1.00 0.00 C ATOM 106 NZ LYS A 7 6.793 -19.479 23.726 1.00 0.00 N ATOM 0 H LYS A 7 5.183 -24.291 29.015 1.00 0.00 H new ATOM 0 HA LYS A 7 6.630 -23.601 26.618 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.518 -22.533 27.323 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.232 -22.056 28.851 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.088 -20.125 27.391 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.773 -20.518 27.670 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.908 -21.602 25.431 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.212 -21.262 25.152 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.634 -18.817 25.367 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.319 -19.120 25.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.032 -18.510 23.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.604 -20.105 23.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.971 -19.811 23.182 1.00 0.00 H new ATOM 120 N SER A 8 8.852 -22.835 27.282 1.00 0.00 N ATOM 121 CA SER A 8 10.166 -22.234 27.560 1.00 0.00 C ATOM 122 C SER A 8 10.120 -20.701 27.403 1.00 0.00 C ATOM 123 O SER A 8 9.392 -20.181 26.550 1.00 0.00 O ATOM 124 CB SER A 8 11.233 -22.814 26.618 1.00 0.00 C ATOM 125 OG SER A 8 11.345 -24.226 26.773 1.00 0.00 O ATOM 0 H SER A 8 8.757 -23.173 26.324 1.00 0.00 H new ATOM 0 HA SER A 8 10.427 -22.472 28.591 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.977 -22.578 25.585 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.196 -22.346 26.823 1.00 0.00 H new ATOM 0 HG SER A 8 12.029 -24.569 26.161 1.00 0.00 H new ATOM 131 N PHE A 9 10.913 -19.978 28.201 1.00 0.00 N ATOM 132 CA PHE A 9 10.969 -18.510 28.220 1.00 0.00 C ATOM 133 C PHE A 9 12.405 -17.983 28.039 1.00 0.00 C ATOM 134 O PHE A 9 13.385 -18.686 28.298 1.00 0.00 O ATOM 135 CB PHE A 9 10.355 -17.998 29.535 1.00 0.00 C ATOM 136 CG PHE A 9 8.878 -18.309 29.699 1.00 0.00 C ATOM 137 CD1 PHE A 9 7.914 -17.505 29.059 1.00 0.00 C ATOM 138 CD2 PHE A 9 8.461 -19.396 30.493 1.00 0.00 C ATOM 139 CE1 PHE A 9 6.544 -17.779 29.219 1.00 0.00 C ATOM 140 CE2 PHE A 9 7.091 -19.669 30.651 1.00 0.00 C ATOM 141 CZ PHE A 9 6.131 -18.860 30.018 1.00 0.00 C ATOM 0 H PHE A 9 11.551 -20.408 28.870 1.00 0.00 H new ATOM 0 HA PHE A 9 10.392 -18.132 27.376 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.901 -18.435 30.371 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.495 -16.919 29.592 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.228 -16.675 28.443 1.00 0.00 H new ATOM 0 HD2 PHE A 9 9.195 -20.020 30.981 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.809 -17.159 28.728 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.775 -20.503 31.260 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.079 -19.068 30.145 1.00 0.00 H new ATOM 151 N ASP A 10 12.522 -16.723 27.610 1.00 0.00 N ATOM 152 CA ASP A 10 13.776 -16.024 27.292 1.00 0.00 C ATOM 153 C ASP A 10 13.564 -14.488 27.362 1.00 0.00 C ATOM 154 O ASP A 10 12.471 -14.037 26.993 1.00 0.00 O ATOM 155 CB ASP A 10 14.241 -16.464 25.892 1.00 0.00 C ATOM 156 CG ASP A 10 15.613 -15.885 25.522 1.00 0.00 C ATOM 157 OD1 ASP A 10 16.640 -16.533 25.833 1.00 0.00 O ATOM 158 OD2 ASP A 10 15.652 -14.783 24.929 1.00 0.00 O ATOM 0 H ASP A 10 11.704 -16.130 27.467 1.00 0.00 H new ATOM 0 HA ASP A 10 14.547 -16.280 28.019 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.287 -17.552 25.853 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.505 -16.149 25.152 1.00 0.00 H new ATOM 163 N PRO A 11 14.545 -13.679 27.832 1.00 0.00 N ATOM 164 CA PRO A 11 14.388 -12.232 28.010 1.00 0.00 C ATOM 165 C PRO A 11 13.947 -11.469 26.753 1.00 0.00 C ATOM 166 O PRO A 11 13.013 -10.672 26.836 1.00 0.00 O ATOM 167 CB PRO A 11 15.745 -11.726 28.515 1.00 0.00 C ATOM 168 CG PRO A 11 16.304 -12.932 29.263 1.00 0.00 C ATOM 169 CD PRO A 11 15.814 -14.104 28.414 1.00 0.00 C ATOM 0 HA PRO A 11 13.576 -12.048 28.714 1.00 0.00 H new ATOM 0 HB2 PRO A 11 16.394 -11.424 27.693 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.635 -10.861 29.169 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.392 -12.903 29.325 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.928 -12.986 30.285 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.536 -14.351 27.636 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.683 -14.999 29.023 1.00 0.00 H new ATOM 177 N PHE A 12 14.589 -11.728 25.602 1.00 0.00 N ATOM 178 CA PHE A 12 14.326 -11.109 24.294 1.00 0.00 C ATOM 179 C PHE A 12 15.214 -11.721 23.194 1.00 0.00 C ATOM 180 O PHE A 12 16.400 -11.991 23.407 1.00 0.00 O ATOM 181 CB PHE A 12 14.483 -9.572 24.323 1.00 0.00 C ATOM 182 CG PHE A 12 15.856 -9.054 24.724 1.00 0.00 C ATOM 183 CD1 PHE A 12 16.152 -8.798 26.079 1.00 0.00 C ATOM 184 CD2 PHE A 12 16.836 -8.806 23.743 1.00 0.00 C ATOM 185 CE1 PHE A 12 17.420 -8.319 26.450 1.00 0.00 C ATOM 186 CE2 PHE A 12 18.106 -8.326 24.114 1.00 0.00 C ATOM 187 CZ PHE A 12 18.398 -8.083 25.468 1.00 0.00 C ATOM 0 H PHE A 12 15.345 -12.411 25.557 1.00 0.00 H new ATOM 0 HA PHE A 12 13.284 -11.324 24.058 1.00 0.00 H new ATOM 0 HB2 PHE A 12 14.243 -9.183 23.334 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.745 -9.163 25.014 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.401 -8.971 26.835 1.00 0.00 H new ATOM 0 HD2 PHE A 12 16.612 -8.985 22.702 1.00 0.00 H new ATOM 0 HE1 PHE A 12 17.643 -8.132 27.490 1.00 0.00 H new ATOM 0 HE2 PHE A 12 18.856 -8.144 23.359 1.00 0.00 H new ATOM 0 HZ PHE A 12 19.373 -7.715 25.753 1.00 0.00 H new ATOM 197 N ALA A 13 14.643 -11.884 21.998 1.00 0.00 N ATOM 198 CA ALA A 13 15.342 -12.302 20.777 1.00 0.00 C ATOM 199 C ALA A 13 15.508 -11.129 19.790 1.00 0.00 C ATOM 200 O ALA A 13 14.669 -10.225 19.732 1.00 0.00 O ATOM 201 CB ALA A 13 14.561 -13.462 20.143 1.00 0.00 C ATOM 0 H ALA A 13 13.647 -11.723 21.846 1.00 0.00 H new ATOM 0 HA ALA A 13 16.348 -12.635 21.031 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.066 -13.786 19.233 1.00 0.00 H new ATOM 0 HB2 ALA A 13 14.510 -14.293 20.846 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.552 -13.131 19.899 1.00 0.00 H new ATOM 207 N ASP A 14 16.580 -11.155 18.996 1.00 0.00 N ATOM 208 CA ASP A 14 16.868 -10.177 17.939 1.00 0.00 C ATOM 209 C ASP A 14 16.215 -10.540 16.588 1.00 0.00 C ATOM 210 O ASP A 14 15.970 -11.717 16.297 1.00 0.00 O ATOM 211 CB ASP A 14 18.390 -10.009 17.790 1.00 0.00 C ATOM 212 CG ASP A 14 19.088 -11.265 17.234 1.00 0.00 C ATOM 213 OD1 ASP A 14 19.266 -12.242 17.999 1.00 0.00 O ATOM 214 OD2 ASP A 14 19.472 -11.256 16.040 1.00 0.00 O ATOM 0 H ASP A 14 17.295 -11.878 19.071 1.00 0.00 H new ATOM 0 HA ASP A 14 16.424 -9.228 18.241 1.00 0.00 H new ATOM 0 HB2 ASP A 14 18.593 -9.166 17.129 1.00 0.00 H new ATOM 0 HB3 ASP A 14 18.819 -9.763 18.762 1.00 0.00 H new ATOM 219 N THR A 15 15.977 -9.516 15.754 1.00 0.00 N ATOM 220 CA THR A 15 15.388 -9.620 14.406 1.00 0.00 C ATOM 221 C THR A 15 16.168 -8.730 13.440 1.00 0.00 C ATOM 222 O THR A 15 16.471 -7.582 13.766 1.00 0.00 O ATOM 223 CB THR A 15 13.907 -9.205 14.429 1.00 0.00 C ATOM 224 OG1 THR A 15 13.207 -10.040 15.329 1.00 0.00 O ATOM 225 CG2 THR A 15 13.229 -9.338 13.060 1.00 0.00 C ATOM 0 H THR A 15 16.198 -8.553 16.009 1.00 0.00 H new ATOM 0 HA THR A 15 15.447 -10.656 14.073 1.00 0.00 H new ATOM 0 HB THR A 15 13.879 -8.157 14.729 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.262 -9.780 15.350 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.186 -9.031 13.139 1.00 0.00 H new ATOM 0 HG22 THR A 15 13.741 -8.702 12.337 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.278 -10.375 12.729 1.00 0.00 H new ATOM 233 N GLY A 16 16.469 -9.248 12.245 1.00 0.00 N ATOM 234 CA GLY A 16 17.125 -8.505 11.163 1.00 0.00 C ATOM 235 C GLY A 16 16.106 -7.773 10.289 1.00 0.00 C ATOM 236 O GLY A 16 15.222 -8.401 9.707 1.00 0.00 O ATOM 0 H GLY A 16 16.259 -10.215 11.997 1.00 0.00 H new ATOM 0 HA2 GLY A 16 17.826 -7.786 11.587 1.00 0.00 H new ATOM 0 HA3 GLY A 16 17.706 -9.192 10.548 1.00 0.00 H new ATOM 240 N ASP A 17 16.256 -6.452 10.174 1.00 0.00 N ATOM 241 CA ASP A 17 15.389 -5.538 9.415 1.00 0.00 C ATOM 242 C ASP A 17 16.069 -4.164 9.224 1.00 0.00 C ATOM 243 O ASP A 17 16.982 -3.806 9.973 1.00 0.00 O ATOM 244 CB ASP A 17 14.025 -5.393 10.122 1.00 0.00 C ATOM 245 CG ASP A 17 12.990 -4.609 9.295 1.00 0.00 C ATOM 246 OD1 ASP A 17 12.922 -4.822 8.061 1.00 0.00 O ATOM 247 OD2 ASP A 17 12.238 -3.802 9.891 1.00 0.00 O ATOM 0 H ASP A 17 17.025 -5.962 10.631 1.00 0.00 H new ATOM 0 HA ASP A 17 15.219 -5.960 8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.629 -6.385 10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.171 -4.891 11.078 1.00 0.00 H new ATOM 252 N ASP A 18 15.623 -3.388 8.232 1.00 0.00 N ATOM 253 CA ASP A 18 16.176 -2.079 7.857 1.00 0.00 C ATOM 254 C ASP A 18 15.179 -1.224 7.046 1.00 0.00 C ATOM 255 O ASP A 18 14.191 -1.730 6.509 1.00 0.00 O ATOM 256 CB ASP A 18 17.519 -2.236 7.114 1.00 0.00 C ATOM 257 CG ASP A 18 17.379 -2.817 5.696 1.00 0.00 C ATOM 258 OD1 ASP A 18 17.389 -4.064 5.543 1.00 0.00 O ATOM 259 OD2 ASP A 18 17.308 -2.018 4.731 1.00 0.00 O ATOM 0 H ASP A 18 14.836 -3.663 7.644 1.00 0.00 H new ATOM 0 HA ASP A 18 16.363 -1.538 8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 18 18.005 -1.262 7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 18 18.174 -2.882 7.699 1.00 0.00 H new ATOM 264 N GLU A 19 15.445 0.086 6.969 1.00 0.00 N ATOM 265 CA GLU A 19 14.567 1.089 6.360 1.00 0.00 C ATOM 266 C GLU A 19 15.369 2.315 5.885 1.00 0.00 C ATOM 267 O GLU A 19 16.402 2.652 6.476 1.00 0.00 O ATOM 268 CB GLU A 19 13.471 1.481 7.375 1.00 0.00 C ATOM 269 CG GLU A 19 12.414 2.479 6.880 1.00 0.00 C ATOM 270 CD GLU A 19 11.594 1.927 5.708 1.00 0.00 C ATOM 271 OE1 GLU A 19 12.141 1.854 4.581 1.00 0.00 O ATOM 272 OE2 GLU A 19 10.411 1.573 5.918 1.00 0.00 O ATOM 0 H GLU A 19 16.305 0.488 7.341 1.00 0.00 H new ATOM 0 HA GLU A 19 14.092 0.666 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.961 0.573 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.955 1.903 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.744 2.732 7.702 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.905 3.402 6.573 1.00 0.00 H new ATOM 279 N THR A 20 14.880 2.992 4.835 1.00 0.00 N ATOM 280 CA THR A 20 15.475 4.204 4.243 1.00 0.00 C ATOM 281 C THR A 20 14.469 4.948 3.364 1.00 0.00 C ATOM 282 O THR A 20 13.480 4.378 2.904 1.00 0.00 O ATOM 283 CB THR A 20 16.783 3.883 3.500 1.00 0.00 C ATOM 284 OG1 THR A 20 17.411 5.099 3.152 1.00 0.00 O ATOM 285 CG2 THR A 20 16.584 3.053 2.231 1.00 0.00 C ATOM 0 H THR A 20 14.028 2.701 4.356 1.00 0.00 H new ATOM 0 HA THR A 20 15.737 4.879 5.057 1.00 0.00 H new ATOM 0 HB THR A 20 17.393 3.283 4.175 1.00 0.00 H new ATOM 0 HG1 THR A 20 18.248 4.911 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 20 17.550 2.867 1.763 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.116 2.102 2.488 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.943 3.597 1.537 1.00 0.00 H new ATOM 293 N ALA A 21 14.722 6.236 3.123 1.00 0.00 N ATOM 294 CA ALA A 21 13.852 7.124 2.350 1.00 0.00 C ATOM 295 C ALA A 21 13.798 6.791 0.846 1.00 0.00 C ATOM 296 O ALA A 21 12.816 7.142 0.186 1.00 0.00 O ATOM 297 CB ALA A 21 14.341 8.561 2.581 1.00 0.00 C ATOM 0 H ALA A 21 15.560 6.702 3.470 1.00 0.00 H new ATOM 0 HA ALA A 21 12.827 6.992 2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.714 9.253 2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 21 14.282 8.799 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.374 8.652 2.245 1.00 0.00 H new ATOM 303 N THR A 22 14.839 6.142 0.305 1.00 0.00 N ATOM 304 CA THR A 22 15.017 5.862 -1.130 1.00 0.00 C ATOM 305 C THR A 22 14.784 4.383 -1.437 1.00 0.00 C ATOM 306 O THR A 22 13.639 3.961 -1.576 1.00 0.00 O ATOM 307 CB THR A 22 16.376 6.393 -1.623 1.00 0.00 C ATOM 308 OG1 THR A 22 17.418 5.889 -0.809 1.00 0.00 O ATOM 309 CG2 THR A 22 16.427 7.923 -1.576 1.00 0.00 C ATOM 0 H THR A 22 15.607 5.785 0.873 1.00 0.00 H new ATOM 0 HA THR A 22 14.257 6.402 -1.695 1.00 0.00 H new ATOM 0 HB THR A 22 16.501 6.061 -2.654 1.00 0.00 H new ATOM 0 HG1 THR A 22 18.057 5.394 -1.364 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.399 8.266 -1.930 1.00 0.00 H new ATOM 0 HG22 THR A 22 15.643 8.333 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 22 16.275 8.261 -0.551 1.00 0.00 H new ATOM 317 N SER A 23 15.845 3.598 -1.584 1.00 0.00 N ATOM 318 CA SER A 23 15.803 2.219 -2.088 1.00 0.00 C ATOM 319 C SER A 23 15.553 1.184 -0.976 1.00 0.00 C ATOM 320 O SER A 23 16.446 0.871 -0.183 1.00 0.00 O ATOM 321 CB SER A 23 17.109 1.893 -2.831 1.00 0.00 C ATOM 322 OG SER A 23 17.302 2.760 -3.944 1.00 0.00 O ATOM 0 H SER A 23 16.789 3.907 -1.351 1.00 0.00 H new ATOM 0 HA SER A 23 14.959 2.155 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 23 17.952 1.984 -2.146 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.087 0.858 -3.173 1.00 0.00 H new ATOM 0 HG SER A 23 18.141 2.530 -4.396 1.00 0.00 H new ATOM 328 N ASN A 24 14.349 0.603 -0.954 1.00 0.00 N ATOM 329 CA ASN A 24 13.950 -0.502 -0.073 1.00 0.00 C ATOM 330 C ASN A 24 12.798 -1.311 -0.705 1.00 0.00 C ATOM 331 O ASN A 24 12.087 -0.818 -1.585 1.00 0.00 O ATOM 332 CB ASN A 24 13.557 0.052 1.318 1.00 0.00 C ATOM 333 CG ASN A 24 13.469 -1.016 2.412 1.00 0.00 C ATOM 334 OD1 ASN A 24 13.915 -2.149 2.262 1.00 0.00 O ATOM 335 ND2 ASN A 24 12.909 -0.687 3.559 1.00 0.00 N ATOM 0 H ASN A 24 13.595 0.901 -1.573 1.00 0.00 H new ATOM 0 HA ASN A 24 14.793 -1.180 0.055 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.286 0.805 1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.594 0.556 1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.849 -1.372 4.312 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.535 0.253 3.693 1.00 0.00 H new ATOM 342 N TYR A 25 12.585 -2.548 -0.246 1.00 0.00 N ATOM 343 CA TYR A 25 11.401 -3.336 -0.597 1.00 0.00 C ATOM 344 C TYR A 25 10.148 -2.757 0.076 1.00 0.00 C ATOM 345 O TYR A 25 10.180 -2.389 1.251 1.00 0.00 O ATOM 346 CB TYR A 25 11.577 -4.794 -0.153 1.00 0.00 C ATOM 347 CG TYR A 25 12.489 -5.620 -1.031 1.00 0.00 C ATOM 348 CD1 TYR A 25 12.003 -6.131 -2.251 1.00 0.00 C ATOM 349 CD2 TYR A 25 13.806 -5.904 -0.623 1.00 0.00 C ATOM 350 CE1 TYR A 25 12.832 -6.932 -3.058 1.00 0.00 C ATOM 351 CE2 TYR A 25 14.641 -6.703 -1.429 1.00 0.00 C ATOM 352 CZ TYR A 25 14.154 -7.222 -2.650 1.00 0.00 C ATOM 353 OH TYR A 25 14.945 -8.009 -3.430 1.00 0.00 O ATOM 0 H TYR A 25 13.230 -3.031 0.380 1.00 0.00 H new ATOM 0 HA TYR A 25 11.281 -3.296 -1.680 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.969 -4.804 0.864 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.597 -5.270 -0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.995 -5.908 -2.567 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.178 -5.508 0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.457 -7.326 -3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 25 15.651 -6.918 -1.114 1.00 0.00 H new ATOM 0 HH TYR A 25 15.824 -8.110 -3.008 1.00 0.00 H new ATOM 363 N ILE A 26 9.033 -2.718 -0.654 1.00 0.00 N ATOM 364 CA ILE A 26 7.715 -2.396 -0.092 1.00 0.00 C ATOM 365 C ILE A 26 7.122 -3.677 0.485 1.00 0.00 C ATOM 366 O ILE A 26 6.784 -4.590 -0.264 1.00 0.00 O ATOM 367 CB ILE A 26 6.784 -1.762 -1.150 1.00 0.00 C ATOM 368 CG1 ILE A 26 7.481 -0.540 -1.788 1.00 0.00 C ATOM 369 CG2 ILE A 26 5.437 -1.393 -0.491 1.00 0.00 C ATOM 370 CD1 ILE A 26 6.581 0.350 -2.649 1.00 0.00 C ATOM 0 H ILE A 26 9.015 -2.909 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 26 7.823 -1.652 0.698 1.00 0.00 H new ATOM 0 HB ILE A 26 6.576 -2.472 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.912 0.068 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.309 -0.894 -2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.778 -0.945 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.971 -2.292 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.610 -0.681 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.165 1.178 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.170 -0.236 -3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.767 0.742 -2.040 1.00 0.00 H new ATOM 382 N HIS A 27 6.991 -3.753 1.802 1.00 0.00 N ATOM 383 CA HIS A 27 6.404 -4.898 2.491 1.00 0.00 C ATOM 384 C HIS A 27 4.922 -4.636 2.793 1.00 0.00 C ATOM 385 O HIS A 27 4.590 -3.705 3.532 1.00 0.00 O ATOM 386 CB HIS A 27 7.184 -5.186 3.777 1.00 0.00 C ATOM 387 CG HIS A 27 8.644 -5.478 3.564 1.00 0.00 C ATOM 388 ND1 HIS A 27 9.184 -6.732 3.271 1.00 0.00 N ATOM 389 CD2 HIS A 27 9.659 -4.574 3.686 1.00 0.00 C ATOM 390 CE1 HIS A 27 10.513 -6.545 3.209 1.00 0.00 C ATOM 391 NE2 HIS A 27 10.828 -5.261 3.455 1.00 0.00 N ATOM 0 H HIS A 27 7.293 -3.011 2.433 1.00 0.00 H new ATOM 0 HA HIS A 27 6.466 -5.775 1.846 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.091 -4.329 4.444 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.726 -6.036 4.283 1.00 0.00 H new ATOM 0 HD1 HIS A 27 8.676 -7.606 3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.563 -3.524 3.919 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.232 -7.321 2.991 1.00 0.00 H new ATOM 399 N ILE A 28 4.033 -5.466 2.242 1.00 0.00 N ATOM 400 CA ILE A 28 2.588 -5.436 2.514 1.00 0.00 C ATOM 401 C ILE A 28 2.252 -6.673 3.358 1.00 0.00 C ATOM 402 O ILE A 28 2.338 -7.799 2.865 1.00 0.00 O ATOM 403 CB ILE A 28 1.775 -5.376 1.196 1.00 0.00 C ATOM 404 CG1 ILE A 28 2.247 -4.225 0.269 1.00 0.00 C ATOM 405 CG2 ILE A 28 0.281 -5.204 1.543 1.00 0.00 C ATOM 406 CD1 ILE A 28 1.662 -4.302 -1.146 1.00 0.00 C ATOM 0 H ILE A 28 4.300 -6.194 1.580 1.00 0.00 H new ATOM 0 HA ILE A 28 2.315 -4.538 3.068 1.00 0.00 H new ATOM 0 HB ILE A 28 1.934 -6.306 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.969 -3.271 0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.335 -4.243 0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.303 -5.160 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.052 -6.049 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.142 -4.281 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.034 -3.467 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.961 -5.241 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.574 -4.253 -1.093 1.00 0.00 H new ATOM 418 N ARG A 29 1.929 -6.457 4.636 1.00 0.00 N ATOM 419 CA ARG A 29 1.692 -7.496 5.651 1.00 0.00 C ATOM 420 C ARG A 29 0.282 -7.381 6.243 1.00 0.00 C ATOM 421 O ARG A 29 -0.441 -6.426 5.958 1.00 0.00 O ATOM 422 CB ARG A 29 2.727 -7.391 6.791 1.00 0.00 C ATOM 423 CG ARG A 29 4.177 -7.170 6.332 1.00 0.00 C ATOM 424 CD ARG A 29 5.170 -7.621 7.412 1.00 0.00 C ATOM 425 NE ARG A 29 6.566 -7.389 6.999 1.00 0.00 N ATOM 426 CZ ARG A 29 7.245 -6.255 7.135 1.00 0.00 C ATOM 427 NH1 ARG A 29 6.710 -5.167 7.641 1.00 0.00 N ATOM 428 NH2 ARG A 29 8.497 -6.171 6.752 1.00 0.00 N ATOM 0 H ARG A 29 1.820 -5.515 5.011 1.00 0.00 H new ATOM 0 HA ARG A 29 1.792 -8.462 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.440 -6.570 7.448 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.685 -8.304 7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.359 -7.724 5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.334 -6.115 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.970 -7.082 8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.024 -8.681 7.622 1.00 0.00 H new ATOM 0 HE ARG A 29 7.057 -8.173 6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.737 -5.172 7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.268 -4.317 7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.961 -6.983 6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.006 -5.294 6.862 1.00 0.00 H new ATOM 442 N ILE A 30 -0.117 -8.326 7.095 1.00 0.00 N ATOM 443 CA ILE A 30 -1.331 -8.227 7.924 1.00 0.00 C ATOM 444 C ILE A 30 -0.909 -8.046 9.390 1.00 0.00 C ATOM 445 O ILE A 30 0.045 -8.674 9.853 1.00 0.00 O ATOM 446 CB ILE A 30 -2.262 -9.448 7.725 1.00 0.00 C ATOM 447 CG1 ILE A 30 -2.547 -9.674 6.221 1.00 0.00 C ATOM 448 CG2 ILE A 30 -3.587 -9.213 8.475 1.00 0.00 C ATOM 449 CD1 ILE A 30 -3.488 -10.849 5.926 1.00 0.00 C ATOM 0 H ILE A 30 0.397 -9.196 7.235 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.915 -7.360 7.615 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.768 -10.335 8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.979 -8.764 5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.602 -9.843 5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.242 -10.073 8.335 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.385 -9.081 9.538 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.073 -8.319 8.084 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.634 -10.937 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.050 -11.771 6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.449 -10.676 6.410 1.00 0.00 H new ATOM 461 N GLN A 31 -1.602 -7.176 10.122 1.00 0.00 N ATOM 462 CA GLN A 31 -1.319 -6.886 11.529 1.00 0.00 C ATOM 463 C GLN A 31 -2.021 -7.899 12.455 1.00 0.00 C ATOM 464 O GLN A 31 -3.062 -8.464 12.115 1.00 0.00 O ATOM 465 CB GLN A 31 -1.728 -5.430 11.830 1.00 0.00 C ATOM 466 CG GLN A 31 -1.373 -4.916 13.238 1.00 0.00 C ATOM 467 CD GLN A 31 0.114 -5.051 13.574 1.00 0.00 C ATOM 468 OE1 GLN A 31 0.563 -6.065 14.100 1.00 0.00 O ATOM 469 NE2 GLN A 31 0.937 -4.075 13.257 1.00 0.00 N ATOM 0 H GLN A 31 -2.388 -6.644 9.750 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.251 -6.990 11.722 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.254 -4.779 11.095 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.805 -5.338 11.690 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.663 -3.868 13.319 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.957 -5.466 13.976 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.578 -3.227 12.819 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.935 -4.167 13.449 1.00 0.00 H new ATOM 478 N GLN A 32 -1.449 -8.122 13.641 1.00 0.00 N ATOM 479 CA GLN A 32 -1.910 -9.111 14.618 1.00 0.00 C ATOM 480 C GLN A 32 -3.302 -8.786 15.193 1.00 0.00 C ATOM 481 O GLN A 32 -3.686 -7.619 15.328 1.00 0.00 O ATOM 482 CB GLN A 32 -0.848 -9.243 15.725 1.00 0.00 C ATOM 483 CG GLN A 32 -0.755 -8.011 16.649 1.00 0.00 C ATOM 484 CD GLN A 32 0.633 -7.866 17.272 1.00 0.00 C ATOM 485 OE1 GLN A 32 0.916 -8.350 18.362 1.00 0.00 O ATOM 486 NE2 GLN A 32 1.554 -7.205 16.599 1.00 0.00 N ATOM 0 H GLN A 32 -0.629 -7.604 13.957 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.031 -10.068 14.110 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.073 -10.122 16.329 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.125 -9.414 15.264 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.993 -7.112 16.080 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.501 -8.094 17.440 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.329 -6.798 15.691 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.492 -7.100 16.986 1.00 0.00 H new ATOM 495 N ARG A 33 -4.055 -9.830 15.565 1.00 0.00 N ATOM 496 CA ARG A 33 -5.435 -9.701 16.049 1.00 0.00 C ATOM 497 C ARG A 33 -5.467 -9.099 17.463 1.00 0.00 C ATOM 498 O ARG A 33 -4.843 -9.623 18.389 1.00 0.00 O ATOM 499 CB ARG A 33 -6.131 -11.072 15.986 1.00 0.00 C ATOM 500 CG ARG A 33 -7.630 -10.985 16.316 1.00 0.00 C ATOM 501 CD ARG A 33 -8.306 -12.353 16.160 1.00 0.00 C ATOM 502 NE ARG A 33 -9.748 -12.280 16.465 1.00 0.00 N ATOM 503 CZ ARG A 33 -10.319 -12.386 17.662 1.00 0.00 C ATOM 504 NH1 ARG A 33 -9.620 -12.569 18.763 1.00 0.00 N ATOM 505 NH2 ARG A 33 -11.629 -12.309 17.766 1.00 0.00 N ATOM 0 H ARG A 33 -3.721 -10.793 15.538 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.982 -9.013 15.405 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.005 -11.495 14.989 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.647 -11.754 16.685 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.761 -10.624 17.336 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.110 -10.261 15.658 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.166 -12.715 15.142 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.828 -13.074 16.823 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.374 -12.132 15.673 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.603 -12.634 18.717 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.095 -12.645 19.662 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.199 -12.169 16.932 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.074 -12.389 18.680 1.00 0.00 H new ATOM 519 N ASN A 34 -6.226 -8.011 17.618 1.00 0.00 N ATOM 520 CA ASN A 34 -6.392 -7.240 18.860 1.00 0.00 C ATOM 521 C ASN A 34 -7.556 -6.231 18.749 1.00 0.00 C ATOM 522 O ASN A 34 -8.385 -6.139 19.658 1.00 0.00 O ATOM 523 CB ASN A 34 -5.073 -6.519 19.204 1.00 0.00 C ATOM 524 CG ASN A 34 -5.178 -5.727 20.504 1.00 0.00 C ATOM 525 OD1 ASN A 34 -5.373 -4.516 20.502 1.00 0.00 O ATOM 526 ND2 ASN A 34 -5.075 -6.386 21.646 1.00 0.00 N ATOM 0 H ASN A 34 -6.768 -7.623 16.846 1.00 0.00 H new ATOM 0 HA ASN A 34 -6.641 -7.933 19.664 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.271 -7.252 19.289 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.804 -5.846 18.390 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.158 -5.887 22.532 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.913 -7.393 21.641 1.00 0.00 H new ATOM 533 N GLY A 35 -7.643 -5.513 17.619 1.00 0.00 N ATOM 534 CA GLY A 35 -8.769 -4.632 17.272 1.00 0.00 C ATOM 535 C GLY A 35 -9.978 -5.398 16.720 1.00 0.00 C ATOM 536 O GLY A 35 -9.912 -6.608 16.483 1.00 0.00 O ATOM 0 H GLY A 35 -6.915 -5.529 16.904 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.073 -4.073 18.157 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.439 -3.903 16.532 1.00 0.00 H new ATOM 540 N ARG A 36 -11.086 -4.680 16.502 1.00 0.00 N ATOM 541 CA ARG A 36 -12.369 -5.250 16.047 1.00 0.00 C ATOM 542 C ARG A 36 -12.347 -5.747 14.589 1.00 0.00 C ATOM 543 O ARG A 36 -13.171 -6.585 14.216 1.00 0.00 O ATOM 544 CB ARG A 36 -13.495 -4.215 16.232 1.00 0.00 C ATOM 545 CG ARG A 36 -13.740 -3.869 17.711 1.00 0.00 C ATOM 546 CD ARG A 36 -14.885 -2.864 17.898 1.00 0.00 C ATOM 547 NE ARG A 36 -16.197 -3.445 17.558 1.00 0.00 N ATOM 548 CZ ARG A 36 -17.351 -2.790 17.479 1.00 0.00 C ATOM 549 NH1 ARG A 36 -17.438 -1.495 17.701 1.00 0.00 N ATOM 550 NH2 ARG A 36 -18.451 -3.442 17.170 1.00 0.00 N ATOM 0 H ARG A 36 -11.122 -3.670 16.638 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.551 -6.129 16.666 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.242 -3.306 15.687 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.416 -4.602 15.796 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.969 -4.782 18.261 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.826 -3.458 18.141 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.899 -2.520 18.932 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.704 -1.989 17.273 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.221 -4.446 17.365 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.603 -0.962 17.943 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.341 -1.025 17.631 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.416 -4.446 16.992 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.339 -2.944 17.108 1.00 0.00 H new ATOM 564 N LYS A 37 -11.424 -5.244 13.761 1.00 0.00 N ATOM 565 CA LYS A 37 -11.250 -5.601 12.340 1.00 0.00 C ATOM 566 C LYS A 37 -9.773 -5.890 11.989 1.00 0.00 C ATOM 567 O LYS A 37 -8.858 -5.413 12.669 1.00 0.00 O ATOM 568 CB LYS A 37 -11.791 -4.451 11.458 1.00 0.00 C ATOM 569 CG LYS A 37 -13.296 -4.160 11.587 1.00 0.00 C ATOM 570 CD LYS A 37 -14.188 -5.301 11.074 1.00 0.00 C ATOM 571 CE LYS A 37 -15.665 -4.900 11.184 1.00 0.00 C ATOM 572 NZ LYS A 37 -16.566 -5.976 10.698 1.00 0.00 N ATOM 0 H LYS A 37 -10.747 -4.547 14.072 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.810 -6.517 12.150 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.242 -3.542 11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.573 -4.684 10.416 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.532 -3.968 12.634 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.530 -3.250 11.035 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.941 -5.530 10.037 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.004 -6.206 11.653 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.902 -4.668 12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.839 -3.992 10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.555 -5.668 10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.357 -6.180 9.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.418 -6.835 11.265 1.00 0.00 H new ATOM 586 N THR A 38 -9.552 -6.636 10.897 1.00 0.00 N ATOM 587 CA THR A 38 -8.232 -6.921 10.301 1.00 0.00 C ATOM 588 C THR A 38 -7.643 -5.648 9.698 1.00 0.00 C ATOM 589 O THR A 38 -8.390 -4.819 9.175 1.00 0.00 O ATOM 590 CB THR A 38 -8.376 -8.017 9.231 1.00 0.00 C ATOM 591 OG1 THR A 38 -9.022 -9.124 9.825 1.00 0.00 O ATOM 592 CG2 THR A 38 -7.036 -8.502 8.676 1.00 0.00 C ATOM 0 H THR A 38 -10.315 -7.076 10.382 1.00 0.00 H new ATOM 0 HA THR A 38 -7.553 -7.276 11.076 1.00 0.00 H new ATOM 0 HB THR A 38 -8.940 -7.590 8.402 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.127 -9.837 9.161 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.211 -9.274 7.927 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.507 -7.666 8.219 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.434 -8.913 9.486 1.00 0.00 H new ATOM 600 N LEU A 39 -6.316 -5.497 9.749 1.00 0.00 N ATOM 601 CA LEU A 39 -5.584 -4.386 9.131 1.00 0.00 C ATOM 602 C LEU A 39 -4.420 -4.897 8.270 1.00 0.00 C ATOM 603 O LEU A 39 -3.629 -5.734 8.715 1.00 0.00 O ATOM 604 CB LEU A 39 -5.046 -3.429 10.216 1.00 0.00 C ATOM 605 CG LEU A 39 -6.104 -2.710 11.079 1.00 0.00 C ATOM 606 CD1 LEU A 39 -5.395 -1.917 12.184 1.00 0.00 C ATOM 607 CD2 LEU A 39 -6.968 -1.747 10.255 1.00 0.00 C ATOM 0 H LEU A 39 -5.707 -6.158 10.232 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.279 -3.848 8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.392 -3.996 10.878 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.429 -2.673 9.730 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.760 -3.472 11.501 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.137 -1.406 12.798 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.816 -2.599 12.807 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.728 -1.182 11.734 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.697 -1.265 10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.333 -0.989 9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.489 -2.302 9.475 1.00 0.00 H new ATOM 619 N THR A 40 -4.286 -4.341 7.063 1.00 0.00 N ATOM 620 CA THR A 40 -3.142 -4.497 6.155 1.00 0.00 C ATOM 621 C THR A 40 -2.149 -3.376 6.434 1.00 0.00 C ATOM 622 O THR A 40 -2.534 -2.210 6.395 1.00 0.00 O ATOM 623 CB THR A 40 -3.632 -4.461 4.704 1.00 0.00 C ATOM 624 OG1 THR A 40 -4.378 -5.632 4.510 1.00 0.00 O ATOM 625 CG2 THR A 40 -2.508 -4.476 3.668 1.00 0.00 C ATOM 0 H THR A 40 -5.009 -3.738 6.671 1.00 0.00 H new ATOM 0 HA THR A 40 -2.648 -5.455 6.316 1.00 0.00 H new ATOM 0 HB THR A 40 -4.190 -3.535 4.564 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.214 -5.575 5.018 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.936 -4.449 2.666 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.868 -3.606 3.813 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.917 -5.384 3.785 1.00 0.00 H new ATOM 633 N THR A 41 -0.888 -3.709 6.720 1.00 0.00 N ATOM 634 CA THR A 41 0.196 -2.764 7.037 1.00 0.00 C ATOM 635 C THR A 41 1.172 -2.653 5.878 1.00 0.00 C ATOM 636 O THR A 41 1.668 -3.660 5.376 1.00 0.00 O ATOM 637 CB THR A 41 0.920 -3.148 8.334 1.00 0.00 C ATOM 638 OG1 THR A 41 0.990 -4.549 8.495 1.00 0.00 O ATOM 639 CG2 THR A 41 0.155 -2.560 9.520 1.00 0.00 C ATOM 0 H THR A 41 -0.578 -4.680 6.739 1.00 0.00 H new ATOM 0 HA THR A 41 -0.256 -1.785 7.196 1.00 0.00 H new ATOM 0 HB THR A 41 1.935 -2.755 8.285 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.458 -4.759 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.661 -2.827 10.448 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.117 -1.475 9.427 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.859 -2.959 9.532 1.00 0.00 H new ATOM 647 N VAL A 42 1.453 -1.417 5.465 1.00 0.00 N ATOM 648 CA VAL A 42 2.405 -1.084 4.389 1.00 0.00 C ATOM 649 C VAL A 42 3.642 -0.413 4.984 1.00 0.00 C ATOM 650 O VAL A 42 3.528 0.618 5.648 1.00 0.00 O ATOM 651 CB VAL A 42 1.783 -0.156 3.325 1.00 0.00 C ATOM 652 CG1 VAL A 42 2.735 0.046 2.131 1.00 0.00 C ATOM 653 CG2 VAL A 42 0.444 -0.698 2.805 1.00 0.00 C ATOM 0 H VAL A 42 1.016 -0.592 5.877 1.00 0.00 H new ATOM 0 HA VAL A 42 2.679 -2.017 3.897 1.00 0.00 H new ATOM 0 HB VAL A 42 1.610 0.801 3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.267 0.705 1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.666 0.494 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.947 -0.918 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.040 -0.015 2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.599 -1.678 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.259 -0.786 3.633 1.00 0.00 H new ATOM 663 N GLN A 43 4.814 -0.984 4.707 1.00 0.00 N ATOM 664 CA GLN A 43 6.139 -0.498 5.113 1.00 0.00 C ATOM 665 C GLN A 43 7.053 -0.402 3.876 1.00 0.00 C ATOM 666 O GLN A 43 6.837 -1.098 2.885 1.00 0.00 O ATOM 667 CB GLN A 43 6.706 -1.494 6.147 1.00 0.00 C ATOM 668 CG GLN A 43 8.029 -1.069 6.813 1.00 0.00 C ATOM 669 CD GLN A 43 8.655 -2.190 7.646 1.00 0.00 C ATOM 670 OE1 GLN A 43 8.813 -3.319 7.200 1.00 0.00 O ATOM 671 NE2 GLN A 43 9.015 -1.957 8.888 1.00 0.00 N ATOM 0 H GLN A 43 4.871 -1.845 4.164 1.00 0.00 H new ATOM 0 HA GLN A 43 6.076 0.495 5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.959 -1.648 6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.858 -2.455 5.656 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.735 -0.756 6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.849 -0.204 7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.896 -1.026 9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.414 -2.707 9.453 1.00 0.00 H new ATOM 680 N GLY A 44 8.083 0.454 3.905 1.00 0.00 N ATOM 681 CA GLY A 44 9.160 0.464 2.904 1.00 0.00 C ATOM 682 C GLY A 44 8.884 1.217 1.601 1.00 0.00 C ATOM 683 O GLY A 44 9.757 1.249 0.734 1.00 0.00 O ATOM 0 H GLY A 44 8.194 1.164 4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.048 0.897 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.402 -0.569 2.655 1.00 0.00 H new ATOM 687 N VAL A 45 7.710 1.836 1.455 1.00 0.00 N ATOM 688 CA VAL A 45 7.392 2.729 0.322 1.00 0.00 C ATOM 689 C VAL A 45 8.352 3.940 0.296 1.00 0.00 C ATOM 690 O VAL A 45 8.550 4.560 1.346 1.00 0.00 O ATOM 691 CB VAL A 45 5.900 3.144 0.298 1.00 0.00 C ATOM 692 CG1 VAL A 45 5.452 3.962 1.520 1.00 0.00 C ATOM 693 CG2 VAL A 45 5.555 3.917 -0.984 1.00 0.00 C ATOM 0 H VAL A 45 6.944 1.735 2.121 1.00 0.00 H new ATOM 0 HA VAL A 45 7.551 2.169 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 45 5.351 2.203 0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.395 4.211 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.605 3.376 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.037 4.880 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.501 4.194 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.166 4.818 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.753 3.289 -1.852 1.00 0.00 H new ATOM 703 N PRO A 46 8.960 4.281 -0.863 1.00 0.00 N ATOM 704 CA PRO A 46 9.836 5.440 -1.019 1.00 0.00 C ATOM 705 C PRO A 46 9.192 6.752 -0.558 1.00 0.00 C ATOM 706 O PRO A 46 8.004 6.983 -0.779 1.00 0.00 O ATOM 707 CB PRO A 46 10.190 5.490 -2.506 1.00 0.00 C ATOM 708 CG PRO A 46 10.128 4.027 -2.928 1.00 0.00 C ATOM 709 CD PRO A 46 8.963 3.497 -2.093 1.00 0.00 C ATOM 0 HA PRO A 46 10.718 5.333 -0.387 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.484 6.101 -3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 46 11.180 5.915 -2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.944 3.919 -3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.057 3.501 -2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.019 3.606 -2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 46 9.088 2.436 -1.879 1.00 0.00 H new ATOM 717 N GLU A 47 9.989 7.626 0.062 1.00 0.00 N ATOM 718 CA GLU A 47 9.519 8.865 0.697 1.00 0.00 C ATOM 719 C GLU A 47 9.074 9.937 -0.322 1.00 0.00 C ATOM 720 O GLU A 47 8.338 10.861 0.027 1.00 0.00 O ATOM 721 CB GLU A 47 10.637 9.386 1.621 1.00 0.00 C ATOM 722 CG GLU A 47 10.186 10.489 2.585 1.00 0.00 C ATOM 723 CD GLU A 47 11.317 10.878 3.551 1.00 0.00 C ATOM 724 OE1 GLU A 47 12.107 11.796 3.225 1.00 0.00 O ATOM 725 OE2 GLU A 47 11.413 10.279 4.648 1.00 0.00 O ATOM 0 H GLU A 47 10.997 7.492 0.139 1.00 0.00 H new ATOM 0 HA GLU A 47 8.625 8.642 1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.034 8.552 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.454 9.766 1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.871 11.365 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.320 10.148 3.153 1.00 0.00 H new ATOM 732 N GLU A 48 9.473 9.801 -1.594 1.00 0.00 N ATOM 733 CA GLU A 48 8.999 10.649 -2.696 1.00 0.00 C ATOM 734 C GLU A 48 7.496 10.466 -3.000 1.00 0.00 C ATOM 735 O GLU A 48 6.881 11.341 -3.616 1.00 0.00 O ATOM 736 CB GLU A 48 9.856 10.419 -3.953 1.00 0.00 C ATOM 737 CG GLU A 48 9.723 9.023 -4.576 1.00 0.00 C ATOM 738 CD GLU A 48 10.647 8.886 -5.797 1.00 0.00 C ATOM 739 OE1 GLU A 48 10.270 9.342 -6.902 1.00 0.00 O ATOM 740 OE2 GLU A 48 11.765 8.337 -5.655 1.00 0.00 O ATOM 0 H GLU A 48 10.142 9.090 -1.890 1.00 0.00 H new ATOM 0 HA GLU A 48 9.114 11.684 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.584 11.163 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.902 10.590 -3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.974 8.263 -3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.689 8.849 -4.874 1.00 0.00 H new ATOM 747 N TYR A 49 6.889 9.359 -2.553 1.00 0.00 N ATOM 748 CA TYR A 49 5.449 9.112 -2.616 1.00 0.00 C ATOM 749 C TYR A 49 4.763 9.540 -1.305 1.00 0.00 C ATOM 750 O TYR A 49 5.033 8.990 -0.233 1.00 0.00 O ATOM 751 CB TYR A 49 5.208 7.626 -2.921 1.00 0.00 C ATOM 752 CG TYR A 49 5.855 7.140 -4.206 1.00 0.00 C ATOM 753 CD1 TYR A 49 5.385 7.609 -5.449 1.00 0.00 C ATOM 754 CD2 TYR A 49 6.928 6.228 -4.165 1.00 0.00 C ATOM 755 CE1 TYR A 49 5.963 7.152 -6.649 1.00 0.00 C ATOM 756 CE2 TYR A 49 7.513 5.769 -5.360 1.00 0.00 C ATOM 757 CZ TYR A 49 7.025 6.221 -6.607 1.00 0.00 C ATOM 758 OH TYR A 49 7.579 5.756 -7.762 1.00 0.00 O ATOM 0 H TYR A 49 7.405 8.590 -2.125 1.00 0.00 H new ATOM 0 HA TYR A 49 5.010 9.710 -3.415 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.586 7.030 -2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.134 7.448 -2.979 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.576 8.324 -5.481 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.303 5.880 -3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.596 7.512 -7.599 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.336 5.070 -5.324 1.00 0.00 H new ATOM 0 HH TYR A 49 6.868 5.533 -8.399 1.00 0.00 H new ATOM 768 N ASP A 50 3.868 10.528 -1.383 1.00 0.00 N ATOM 769 CA ASP A 50 3.140 11.071 -0.230 1.00 0.00 C ATOM 770 C ASP A 50 2.115 10.061 0.320 1.00 0.00 C ATOM 771 O ASP A 50 1.187 9.650 -0.382 1.00 0.00 O ATOM 772 CB ASP A 50 2.488 12.404 -0.632 1.00 0.00 C ATOM 773 CG ASP A 50 1.507 12.938 0.420 1.00 0.00 C ATOM 774 OD1 ASP A 50 1.837 12.912 1.628 1.00 0.00 O ATOM 775 OD2 ASP A 50 0.403 13.376 0.017 1.00 0.00 O ATOM 0 H ASP A 50 3.624 10.982 -2.263 1.00 0.00 H new ATOM 0 HA ASP A 50 3.840 11.258 0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.268 13.146 -0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.961 12.273 -1.577 1.00 0.00 H new ATOM 780 N LEU A 51 2.268 9.690 1.596 1.00 0.00 N ATOM 781 CA LEU A 51 1.428 8.696 2.272 1.00 0.00 C ATOM 782 C LEU A 51 -0.046 9.121 2.311 1.00 0.00 C ATOM 783 O LEU A 51 -0.932 8.308 2.065 1.00 0.00 O ATOM 784 CB LEU A 51 1.961 8.457 3.699 1.00 0.00 C ATOM 785 CG LEU A 51 3.438 8.029 3.834 1.00 0.00 C ATOM 786 CD1 LEU A 51 3.724 7.737 5.313 1.00 0.00 C ATOM 787 CD2 LEU A 51 3.813 6.802 2.991 1.00 0.00 C ATOM 0 H LEU A 51 2.993 10.080 2.199 1.00 0.00 H new ATOM 0 HA LEU A 51 1.477 7.767 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.821 9.374 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.343 7.692 4.168 1.00 0.00 H new ATOM 0 HG LEU A 51 4.045 8.851 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.764 7.433 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.541 8.635 5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.071 6.936 5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.866 6.566 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.203 5.951 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.636 7.017 1.937 1.00 0.00 H new ATOM 799 N LYS A 52 -0.321 10.407 2.534 1.00 0.00 N ATOM 800 CA LYS A 52 -1.676 10.977 2.486 1.00 0.00 C ATOM 801 C LYS A 52 -2.323 10.847 1.092 1.00 0.00 C ATOM 802 O LYS A 52 -3.531 10.631 0.999 1.00 0.00 O ATOM 803 CB LYS A 52 -1.636 12.441 2.963 1.00 0.00 C ATOM 804 CG LYS A 52 -1.192 12.566 4.430 1.00 0.00 C ATOM 805 CD LYS A 52 -1.189 14.032 4.880 1.00 0.00 C ATOM 806 CE LYS A 52 -0.731 14.131 6.342 1.00 0.00 C ATOM 807 NZ LYS A 52 -0.703 15.540 6.815 1.00 0.00 N ATOM 0 H LYS A 52 0.399 11.095 2.756 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.310 10.402 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.954 13.008 2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.624 12.886 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.861 11.988 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.194 12.143 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.525 14.616 4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.188 14.456 4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.401 13.548 6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.262 13.693 6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.389 15.567 7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.044 16.090 6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.656 15.950 6.742 1.00 0.00 H new ATOM 821 N ARG A 53 -1.535 10.879 0.009 1.00 0.00 N ATOM 822 CA ARG A 53 -2.009 10.576 -1.352 1.00 0.00 C ATOM 823 C ARG A 53 -2.365 9.094 -1.515 1.00 0.00 C ATOM 824 O ARG A 53 -3.409 8.782 -2.090 1.00 0.00 O ATOM 825 CB ARG A 53 -0.960 11.001 -2.398 1.00 0.00 C ATOM 826 CG ARG A 53 -1.550 11.830 -3.551 1.00 0.00 C ATOM 827 CD ARG A 53 -2.148 13.182 -3.122 1.00 0.00 C ATOM 828 NE ARG A 53 -1.213 13.969 -2.293 1.00 0.00 N ATOM 829 CZ ARG A 53 -0.791 15.212 -2.476 1.00 0.00 C ATOM 830 NH1 ARG A 53 -1.168 15.959 -3.493 1.00 0.00 N ATOM 831 NH2 ARG A 53 0.042 15.709 -1.592 1.00 0.00 N ATOM 0 H ARG A 53 -0.544 11.117 0.051 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.921 11.150 -1.517 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.180 11.581 -1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.484 10.110 -2.807 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.769 12.010 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.325 11.244 -4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.416 13.756 -4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.068 13.009 -2.564 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.843 13.493 -1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.816 15.586 -4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.812 16.910 -3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.342 15.142 -0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.389 16.662 -1.698 1.00 0.00 H new ATOM 845 N ILE A 54 -1.564 8.184 -0.949 1.00 0.00 N ATOM 846 CA ILE A 54 -1.866 6.740 -0.910 1.00 0.00 C ATOM 847 C ILE A 54 -3.223 6.530 -0.223 1.00 0.00 C ATOM 848 O ILE A 54 -4.095 5.897 -0.815 1.00 0.00 O ATOM 849 CB ILE A 54 -0.706 5.932 -0.271 1.00 0.00 C ATOM 850 CG1 ILE A 54 0.602 6.142 -1.074 1.00 0.00 C ATOM 851 CG2 ILE A 54 -1.093 4.442 -0.190 1.00 0.00 C ATOM 852 CD1 ILE A 54 1.845 5.454 -0.493 1.00 0.00 C ATOM 0 H ILE A 54 -0.680 8.426 -0.501 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.949 6.349 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.528 6.290 0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.448 5.779 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.798 7.212 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.276 3.878 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.989 4.332 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.288 4.062 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.706 5.662 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.034 5.833 0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.678 4.378 -0.449 1.00 0.00 H new ATOM 864 N LEU A 55 -3.464 7.163 0.937 1.00 0.00 N ATOM 865 CA LEU A 55 -4.775 7.133 1.595 1.00 0.00 C ATOM 866 C LEU A 55 -5.890 7.627 0.661 1.00 0.00 C ATOM 867 O LEU A 55 -6.908 6.959 0.520 1.00 0.00 O ATOM 868 CB LEU A 55 -4.789 7.972 2.888 1.00 0.00 C ATOM 869 CG LEU A 55 -3.729 7.709 3.976 1.00 0.00 C ATOM 870 CD1 LEU A 55 -4.247 8.278 5.305 1.00 0.00 C ATOM 871 CD2 LEU A 55 -3.356 6.234 4.146 1.00 0.00 C ATOM 0 H LEU A 55 -2.761 7.705 1.439 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.962 6.090 1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.706 9.020 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.769 7.845 3.349 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.812 8.205 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.510 8.101 6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.416 9.350 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.183 7.787 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.605 6.137 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.243 5.664 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.953 5.850 3.209 1.00 0.00 H new ATOM 883 N LYS A 56 -5.709 8.773 -0.006 1.00 0.00 N ATOM 884 CA LYS A 56 -6.738 9.361 -0.871 1.00 0.00 C ATOM 885 C LYS A 56 -7.075 8.467 -2.072 1.00 0.00 C ATOM 886 O LYS A 56 -8.253 8.273 -2.361 1.00 0.00 O ATOM 887 CB LYS A 56 -6.317 10.775 -1.297 1.00 0.00 C ATOM 888 CG LYS A 56 -6.523 11.767 -0.141 1.00 0.00 C ATOM 889 CD LYS A 56 -6.093 13.175 -0.557 1.00 0.00 C ATOM 890 CE LYS A 56 -6.315 14.158 0.599 1.00 0.00 C ATOM 891 NZ LYS A 56 -5.952 15.550 0.223 1.00 0.00 N ATOM 0 H LYS A 56 -4.848 9.317 0.039 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.661 9.437 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.270 10.773 -1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.900 11.090 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.572 11.774 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.947 11.447 0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.042 13.172 -0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.662 13.494 -1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.360 14.126 0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.720 13.848 1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.117 16.182 1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.948 15.586 -0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.537 15.856 -0.581 1.00 0.00 H new ATOM 905 N VAL A 57 -6.082 7.879 -2.743 1.00 0.00 N ATOM 906 CA VAL A 57 -6.333 6.964 -3.877 1.00 0.00 C ATOM 907 C VAL A 57 -7.081 5.708 -3.419 1.00 0.00 C ATOM 908 O VAL A 57 -8.070 5.321 -4.040 1.00 0.00 O ATOM 909 CB VAL A 57 -5.039 6.561 -4.618 1.00 0.00 C ATOM 910 CG1 VAL A 57 -5.335 5.573 -5.761 1.00 0.00 C ATOM 911 CG2 VAL A 57 -4.358 7.803 -5.208 1.00 0.00 C ATOM 0 H VAL A 57 -5.095 8.015 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.955 7.518 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.382 6.081 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.405 5.308 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.796 4.673 -5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.014 6.037 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.447 7.506 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.034 8.290 -5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.108 8.497 -4.405 1.00 0.00 H new ATOM 921 N LEU A 58 -6.642 5.085 -2.320 1.00 0.00 N ATOM 922 CA LEU A 58 -7.244 3.844 -1.818 1.00 0.00 C ATOM 923 C LEU A 58 -8.657 4.057 -1.236 1.00 0.00 C ATOM 924 O LEU A 58 -9.499 3.164 -1.313 1.00 0.00 O ATOM 925 CB LEU A 58 -6.271 3.186 -0.820 1.00 0.00 C ATOM 926 CG LEU A 58 -4.889 2.817 -1.417 1.00 0.00 C ATOM 927 CD1 LEU A 58 -3.986 2.239 -0.324 1.00 0.00 C ATOM 928 CD2 LEU A 58 -4.983 1.832 -2.587 1.00 0.00 C ATOM 0 H LEU A 58 -5.863 5.424 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.398 3.162 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.120 3.863 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.734 2.283 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.461 3.738 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.017 1.982 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.850 2.979 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.447 1.344 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.982 1.614 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.453 0.909 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.580 2.272 -3.386 1.00 0.00 H new ATOM 940 N LYS A 59 -8.973 5.248 -0.723 1.00 0.00 N ATOM 941 CA LYS A 59 -10.335 5.603 -0.295 1.00 0.00 C ATOM 942 C LYS A 59 -11.277 5.929 -1.471 1.00 0.00 C ATOM 943 O LYS A 59 -12.455 5.570 -1.425 1.00 0.00 O ATOM 944 CB LYS A 59 -10.263 6.762 0.712 1.00 0.00 C ATOM 945 CG LYS A 59 -9.663 6.278 2.041 1.00 0.00 C ATOM 946 CD LYS A 59 -9.587 7.406 3.079 1.00 0.00 C ATOM 947 CE LYS A 59 -8.718 6.958 4.261 1.00 0.00 C ATOM 948 NZ LYS A 59 -8.823 7.871 5.428 1.00 0.00 N ATOM 0 H LYS A 59 -8.293 5.997 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.772 4.728 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.656 7.570 0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.260 7.168 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.267 5.461 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.664 5.879 1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.167 8.304 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.588 7.662 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.013 5.953 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.678 6.902 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.270 7.486 6.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.453 8.808 5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.820 7.959 5.712 1.00 0.00 H new ATOM 962 N LYS A 60 -10.779 6.563 -2.539 1.00 0.00 N ATOM 963 CA LYS A 60 -11.571 6.900 -3.735 1.00 0.00 C ATOM 964 C LYS A 60 -11.803 5.701 -4.673 1.00 0.00 C ATOM 965 O LYS A 60 -12.941 5.299 -4.915 1.00 0.00 O ATOM 966 CB LYS A 60 -10.855 8.013 -4.523 1.00 0.00 C ATOM 967 CG LYS A 60 -10.945 9.403 -3.880 1.00 0.00 C ATOM 968 CD LYS A 60 -10.306 10.498 -4.755 1.00 0.00 C ATOM 969 CE LYS A 60 -8.835 10.251 -5.144 1.00 0.00 C ATOM 970 NZ LYS A 60 -8.678 9.510 -6.429 1.00 0.00 N ATOM 0 H LYS A 60 -9.805 6.861 -2.601 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.548 7.227 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.804 7.745 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.279 8.062 -5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.991 9.650 -3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.451 9.384 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.894 10.601 -5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.370 11.448 -4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.322 11.209 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.346 9.690 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.767 9.759 -6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.706 8.487 -6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.452 9.767 -7.075 1.00 0.00 H new ATOM 984 N ASP A 61 -10.720 5.146 -5.215 1.00 0.00 N ATOM 985 CA ASP A 61 -10.726 4.190 -6.329 1.00 0.00 C ATOM 986 C ASP A 61 -10.891 2.724 -5.894 1.00 0.00 C ATOM 987 O ASP A 61 -11.515 1.942 -6.612 1.00 0.00 O ATOM 988 CB ASP A 61 -9.431 4.390 -7.132 1.00 0.00 C ATOM 989 CG ASP A 61 -9.359 5.790 -7.772 1.00 0.00 C ATOM 990 OD1 ASP A 61 -8.956 6.757 -7.081 1.00 0.00 O ATOM 991 OD2 ASP A 61 -9.720 5.917 -8.965 1.00 0.00 O ATOM 0 H ASP A 61 -9.779 5.355 -4.881 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.602 4.394 -6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.572 4.246 -6.476 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.367 3.631 -7.912 1.00 0.00 H new ATOM 996 N PHE A 62 -10.378 2.359 -4.711 1.00 0.00 N ATOM 997 CA PHE A 62 -10.539 1.023 -4.119 1.00 0.00 C ATOM 998 C PHE A 62 -11.679 0.952 -3.083 1.00 0.00 C ATOM 999 O PHE A 62 -12.008 -0.143 -2.624 1.00 0.00 O ATOM 1000 CB PHE A 62 -9.210 0.591 -3.483 1.00 0.00 C ATOM 1001 CG PHE A 62 -8.101 0.247 -4.451 1.00 0.00 C ATOM 1002 CD1 PHE A 62 -7.333 1.260 -5.059 1.00 0.00 C ATOM 1003 CD2 PHE A 62 -7.786 -1.102 -4.685 1.00 0.00 C ATOM 1004 CE1 PHE A 62 -6.232 0.920 -5.862 1.00 0.00 C ATOM 1005 CE2 PHE A 62 -6.685 -1.440 -5.486 1.00 0.00 C ATOM 1006 CZ PHE A 62 -5.897 -0.432 -6.061 1.00 0.00 C ATOM 0 H PHE A 62 -9.831 2.993 -4.129 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.816 0.340 -4.922 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.863 1.393 -2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.396 -0.276 -2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.591 2.298 -4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.393 -1.881 -4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.642 1.696 -6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.444 -2.478 -5.660 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.034 -0.693 -6.656 1.00 0.00 H new ATOM 1016 N ALA A 63 -12.263 2.097 -2.698 1.00 0.00 N ATOM 1017 CA ALA A 63 -13.351 2.221 -1.715 1.00 0.00 C ATOM 1018 C ALA A 63 -12.987 1.656 -0.317 1.00 0.00 C ATOM 1019 O ALA A 63 -13.862 1.186 0.418 1.00 0.00 O ATOM 1020 CB ALA A 63 -14.644 1.635 -2.314 1.00 0.00 C ATOM 0 H ALA A 63 -11.978 2.999 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.523 3.279 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.454 1.724 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.906 2.182 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.489 0.584 -2.557 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.697 1.673 0.042 1.00 0.00 N ATOM 1027 CA CYS A 64 -11.175 1.182 1.322 1.00 0.00 C ATOM 1028 C CYS A 64 -11.218 2.289 2.397 1.00 0.00 C ATOM 1029 O CYS A 64 -11.782 3.364 2.182 1.00 0.00 O ATOM 1030 CB CYS A 64 -9.756 0.630 1.072 1.00 0.00 C ATOM 1031 SG CYS A 64 -9.852 -0.880 0.065 1.00 0.00 S ATOM 0 H CYS A 64 -10.967 2.040 -0.569 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.797 0.377 1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -9.149 1.379 0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.267 0.414 2.022 1.00 0.00 H new ATOM 0 HG CYS A 64 -10.639 -0.676 -0.949 1.00 0.00 H new ATOM 1037 N ASN A 65 -10.584 2.045 3.546 1.00 0.00 N ATOM 1038 CA ASN A 65 -10.338 3.060 4.577 1.00 0.00 C ATOM 1039 C ASN A 65 -9.029 2.753 5.317 1.00 0.00 C ATOM 1040 O ASN A 65 -8.631 1.590 5.413 1.00 0.00 O ATOM 1041 CB ASN A 65 -11.538 3.171 5.530 1.00 0.00 C ATOM 1042 CG ASN A 65 -11.365 4.318 6.526 1.00 0.00 C ATOM 1043 OD1 ASN A 65 -10.948 5.416 6.171 1.00 0.00 O ATOM 1044 ND2 ASN A 65 -11.622 4.087 7.799 1.00 0.00 N ATOM 0 H ASN A 65 -10.221 1.124 3.791 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.224 4.034 4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.449 3.326 4.952 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.660 2.233 6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.474 4.822 8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.969 3.173 8.092 1.00 0.00 H new ATOM 1051 N GLY A 66 -8.342 3.789 5.804 1.00 0.00 N ATOM 1052 CA GLY A 66 -6.984 3.684 6.335 1.00 0.00 C ATOM 1053 C GLY A 66 -6.427 4.963 6.946 1.00 0.00 C ATOM 1054 O GLY A 66 -7.073 6.012 6.937 1.00 0.00 O ATOM 0 H GLY A 66 -8.720 4.736 5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.967 2.901 7.093 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.320 3.365 5.531 1.00 0.00 H new ATOM 1058 N ASN A 67 -5.213 4.843 7.475 1.00 0.00 N ATOM 1059 CA ASN A 67 -4.529 5.848 8.296 1.00 0.00 C ATOM 1060 C ASN A 67 -3.008 5.598 8.365 1.00 0.00 C ATOM 1061 O ASN A 67 -2.535 4.493 8.099 1.00 0.00 O ATOM 1062 CB ASN A 67 -5.172 5.893 9.698 1.00 0.00 C ATOM 1063 CG ASN A 67 -5.122 4.548 10.422 1.00 0.00 C ATOM 1064 OD1 ASN A 67 -6.003 3.708 10.275 1.00 0.00 O ATOM 1065 ND2 ASN A 67 -4.093 4.297 11.209 1.00 0.00 N ATOM 0 H ASN A 67 -4.649 4.004 7.339 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.652 6.824 7.826 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.662 6.643 10.302 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.210 6.211 9.605 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.030 3.403 11.696 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.361 4.997 11.330 1.00 0.00 H new ATOM 1072 N ILE A 68 -2.231 6.616 8.744 1.00 0.00 N ATOM 1073 CA ILE A 68 -0.771 6.525 8.961 1.00 0.00 C ATOM 1074 C ILE A 68 -0.493 6.327 10.462 1.00 0.00 C ATOM 1075 O ILE A 68 -1.169 6.939 11.292 1.00 0.00 O ATOM 1076 CB ILE A 68 -0.075 7.796 8.407 1.00 0.00 C ATOM 1077 CG1 ILE A 68 -0.310 7.951 6.883 1.00 0.00 C ATOM 1078 CG2 ILE A 68 1.443 7.779 8.682 1.00 0.00 C ATOM 1079 CD1 ILE A 68 -0.154 9.396 6.396 1.00 0.00 C ATOM 0 H ILE A 68 -2.601 7.551 8.914 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.363 5.668 8.424 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.520 8.644 8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.394 7.315 6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.311 7.597 6.638 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.896 8.685 8.279 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.618 7.733 9.757 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.890 6.907 8.204 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.331 9.439 5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.876 10.032 6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.856 9.746 6.612 1.00 0.00 H new ATOM 1091 N VAL A 69 0.493 5.498 10.813 1.00 0.00 N ATOM 1092 CA VAL A 69 0.975 5.292 12.195 1.00 0.00 C ATOM 1093 C VAL A 69 2.504 5.256 12.200 1.00 0.00 C ATOM 1094 O VAL A 69 3.103 4.630 11.331 1.00 0.00 O ATOM 1095 CB VAL A 69 0.436 3.974 12.810 1.00 0.00 C ATOM 1096 CG1 VAL A 69 0.910 3.762 14.260 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -1.100 3.926 12.796 1.00 0.00 C ATOM 0 H VAL A 69 0.997 4.932 10.130 1.00 0.00 H new ATOM 0 HA VAL A 69 0.607 6.121 12.800 1.00 0.00 H new ATOM 0 HB VAL A 69 0.838 3.178 12.184 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.504 2.825 14.642 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.999 3.723 14.285 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.563 4.588 14.881 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.439 2.988 13.235 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.495 4.761 13.375 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.457 3.996 11.768 1.00 0.00 H new ATOM 1107 N LYS A 70 3.137 5.892 13.189 1.00 0.00 N ATOM 1108 CA LYS A 70 4.575 5.752 13.455 1.00 0.00 C ATOM 1109 C LYS A 70 4.791 4.769 14.622 1.00 0.00 C ATOM 1110 O LYS A 70 4.637 5.115 15.794 1.00 0.00 O ATOM 1111 CB LYS A 70 5.186 7.146 13.677 1.00 0.00 C ATOM 1112 CG LYS A 70 6.722 7.080 13.757 1.00 0.00 C ATOM 1113 CD LYS A 70 7.377 8.469 13.794 1.00 0.00 C ATOM 1114 CE LYS A 70 7.204 9.204 12.456 1.00 0.00 C ATOM 1115 NZ LYS A 70 7.877 10.528 12.447 1.00 0.00 N ATOM 0 H LYS A 70 2.664 6.524 13.834 1.00 0.00 H new ATOM 0 HA LYS A 70 5.098 5.321 12.601 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.891 7.808 12.863 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.790 7.576 14.597 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.011 6.523 14.648 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.102 6.527 12.898 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.935 9.060 14.596 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.438 8.367 14.021 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.607 8.589 11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.142 9.338 12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.732 10.985 11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.475 11.127 13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.896 10.401 12.614 1.00 0.00 H new ATOM 1129 N ASP A 71 5.092 3.514 14.288 1.00 0.00 N ATOM 1130 CA ASP A 71 5.177 2.386 15.217 1.00 0.00 C ATOM 1131 C ASP A 71 6.557 2.314 15.918 1.00 0.00 C ATOM 1132 O ASP A 71 7.563 2.630 15.272 1.00 0.00 O ATOM 1133 CB ASP A 71 4.918 1.107 14.412 1.00 0.00 C ATOM 1134 CG ASP A 71 4.764 -0.124 15.308 1.00 0.00 C ATOM 1135 OD1 ASP A 71 5.809 -0.727 15.637 1.00 0.00 O ATOM 1136 OD2 ASP A 71 3.618 -0.451 15.695 1.00 0.00 O ATOM 0 H ASP A 71 5.291 3.244 13.325 1.00 0.00 H new ATOM 0 HA ASP A 71 4.436 2.509 16.007 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.015 1.233 13.814 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.741 0.946 13.716 1.00 0.00 H new ATOM 1141 N PRO A 72 6.640 1.868 17.192 1.00 0.00 N ATOM 1142 CA PRO A 72 7.904 1.698 17.916 1.00 0.00 C ATOM 1143 C PRO A 72 8.935 0.788 17.233 1.00 0.00 C ATOM 1144 O PRO A 72 10.132 1.033 17.382 1.00 0.00 O ATOM 1145 CB PRO A 72 7.525 1.112 19.279 1.00 0.00 C ATOM 1146 CG PRO A 72 6.103 1.608 19.498 1.00 0.00 C ATOM 1147 CD PRO A 72 5.519 1.619 18.090 1.00 0.00 C ATOM 0 HA PRO A 72 8.398 2.668 17.971 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.574 0.023 19.275 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.196 1.458 20.065 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.544 0.948 20.161 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.087 2.600 19.949 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.038 0.668 17.860 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.759 2.393 17.989 1.00 0.00 H new ATOM 1155 N GLU A 73 8.497 -0.249 16.504 1.00 0.00 N ATOM 1156 CA GLU A 73 9.385 -1.226 15.848 1.00 0.00 C ATOM 1157 C GLU A 73 9.199 -1.320 14.324 1.00 0.00 C ATOM 1158 O GLU A 73 10.181 -1.466 13.593 1.00 0.00 O ATOM 1159 CB GLU A 73 9.237 -2.602 16.519 1.00 0.00 C ATOM 1160 CG GLU A 73 7.901 -3.332 16.329 1.00 0.00 C ATOM 1161 CD GLU A 73 7.908 -4.670 17.084 1.00 0.00 C ATOM 1162 OE1 GLU A 73 7.518 -4.702 18.276 1.00 0.00 O ATOM 1163 OE2 GLU A 73 8.303 -5.701 16.490 1.00 0.00 O ATOM 0 H GLU A 73 7.506 -0.437 16.350 1.00 0.00 H new ATOM 0 HA GLU A 73 10.403 -0.862 15.984 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.032 -3.248 16.145 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.405 -2.477 17.589 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.084 -2.708 16.691 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.723 -3.507 15.268 1.00 0.00 H new ATOM 1170 N MET A 74 7.963 -1.200 13.831 1.00 0.00 N ATOM 1171 CA MET A 74 7.654 -1.187 12.388 1.00 0.00 C ATOM 1172 C MET A 74 7.963 0.160 11.707 1.00 0.00 C ATOM 1173 O MET A 74 8.091 0.205 10.480 1.00 0.00 O ATOM 1174 CB MET A 74 6.191 -1.596 12.138 1.00 0.00 C ATOM 1175 CG MET A 74 5.901 -3.043 12.545 1.00 0.00 C ATOM 1176 SD MET A 74 4.224 -3.586 12.126 1.00 0.00 S ATOM 1177 CE MET A 74 4.317 -5.285 12.746 1.00 0.00 C ATOM 0 H MET A 74 7.138 -1.108 14.423 1.00 0.00 H new ATOM 0 HA MET A 74 8.316 -1.922 11.930 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.532 -0.928 12.693 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.958 -1.467 11.081 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.620 -3.701 12.057 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.051 -3.147 13.620 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.365 -5.787 12.575 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.109 -5.821 12.222 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.533 -5.271 13.814 1.00 0.00 H new ATOM 1187 N GLY A 75 8.097 1.253 12.469 1.00 0.00 N ATOM 1188 CA GLY A 75 8.349 2.601 11.944 1.00 0.00 C ATOM 1189 C GLY A 75 7.101 3.227 11.320 1.00 0.00 C ATOM 1190 O GLY A 75 5.975 2.864 11.659 1.00 0.00 O ATOM 0 H GLY A 75 8.032 1.225 13.487 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.708 3.240 12.750 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.141 2.555 11.197 1.00 0.00 H new ATOM 1194 N GLU A 76 7.290 4.203 10.436 1.00 0.00 N ATOM 1195 CA GLU A 76 6.204 4.897 9.756 1.00 0.00 C ATOM 1196 C GLU A 76 5.541 3.987 8.701 1.00 0.00 C ATOM 1197 O GLU A 76 6.168 3.570 7.726 1.00 0.00 O ATOM 1198 CB GLU A 76 6.746 6.212 9.182 1.00 0.00 C ATOM 1199 CG GLU A 76 5.622 7.234 9.061 1.00 0.00 C ATOM 1200 CD GLU A 76 6.158 8.600 8.596 1.00 0.00 C ATOM 1201 OE1 GLU A 76 6.522 8.744 7.408 1.00 0.00 O ATOM 1202 OE2 GLU A 76 6.228 9.534 9.431 1.00 0.00 O ATOM 0 H GLU A 76 8.216 4.538 10.169 1.00 0.00 H new ATOM 0 HA GLU A 76 5.409 5.145 10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.534 6.601 9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.193 6.034 8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.875 6.874 8.354 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.123 7.345 10.024 1.00 0.00 H new ATOM 1209 N ILE A 77 4.264 3.665 8.921 1.00 0.00 N ATOM 1210 CA ILE A 77 3.459 2.700 8.152 1.00 0.00 C ATOM 1211 C ILE A 77 2.047 3.221 7.869 1.00 0.00 C ATOM 1212 O ILE A 77 1.474 3.982 8.654 1.00 0.00 O ATOM 1213 CB ILE A 77 3.350 1.333 8.887 1.00 0.00 C ATOM 1214 CG1 ILE A 77 2.836 1.461 10.344 1.00 0.00 C ATOM 1215 CG2 ILE A 77 4.673 0.557 8.820 1.00 0.00 C ATOM 1216 CD1 ILE A 77 2.614 0.124 11.056 1.00 0.00 C ATOM 0 H ILE A 77 3.731 4.090 9.680 1.00 0.00 H new ATOM 0 HA ILE A 77 3.981 2.564 7.205 1.00 0.00 H new ATOM 0 HB ILE A 77 2.593 0.759 8.353 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.551 2.050 10.918 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.898 2.016 10.338 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.564 -0.393 9.343 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.933 0.371 7.778 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.462 1.142 9.292 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.255 0.306 12.069 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.875 -0.461 10.509 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.554 -0.426 11.098 1.00 0.00 H new ATOM 1228 N ILE A 78 1.461 2.762 6.762 1.00 0.00 N ATOM 1229 CA ILE A 78 0.028 2.919 6.468 1.00 0.00 C ATOM 1230 C ILE A 78 -0.694 1.638 6.900 1.00 0.00 C ATOM 1231 O ILE A 78 -0.217 0.536 6.620 1.00 0.00 O ATOM 1232 CB ILE A 78 -0.209 3.217 4.971 1.00 0.00 C ATOM 1233 CG1 ILE A 78 0.356 4.607 4.602 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -1.707 3.124 4.604 1.00 0.00 C ATOM 1235 CD1 ILE A 78 0.580 4.742 3.096 1.00 0.00 C ATOM 0 H ILE A 78 1.971 2.264 6.033 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.369 3.770 7.021 1.00 0.00 H new ATOM 0 HB ILE A 78 0.319 2.459 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.333 5.382 4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.298 4.768 5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.836 3.340 3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.072 2.119 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.271 3.847 5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.978 5.732 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.289 3.984 2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.367 4.606 2.574 1.00 0.00 H new ATOM 1247 N GLN A 79 -1.842 1.796 7.550 1.00 0.00 N ATOM 1248 CA GLN A 79 -2.812 0.749 7.852 1.00 0.00 C ATOM 1249 C GLN A 79 -4.013 0.920 6.908 1.00 0.00 C ATOM 1250 O GLN A 79 -4.505 2.038 6.747 1.00 0.00 O ATOM 1251 CB GLN A 79 -3.286 0.890 9.309 1.00 0.00 C ATOM 1252 CG GLN A 79 -2.176 0.633 10.343 1.00 0.00 C ATOM 1253 CD GLN A 79 -2.644 0.825 11.789 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -3.586 1.547 12.094 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -1.997 0.193 12.747 1.00 0.00 N ATOM 0 H GLN A 79 -2.137 2.708 7.899 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.359 -0.233 7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.685 1.894 9.458 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.105 0.192 9.486 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.802 -0.384 10.221 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.341 1.305 10.145 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.210 -0.413 12.517 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.283 0.310 13.719 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.507 -0.171 6.316 1.00 0.00 N ATOM 1265 CA LEU A 80 -5.739 -0.231 5.517 1.00 0.00 C ATOM 1266 C LEU A 80 -6.670 -1.297 6.115 1.00 0.00 C ATOM 1267 O LEU A 80 -6.197 -2.347 6.542 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.362 -0.564 4.052 1.00 0.00 C ATOM 1269 CG LEU A 80 -6.297 0.009 2.968 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -6.235 1.543 2.902 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -5.871 -0.542 1.599 1.00 0.00 C ATOM 0 H LEU A 80 -4.041 -1.076 6.382 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.263 0.725 5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.353 -0.197 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.332 -1.648 3.942 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.315 -0.286 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.910 1.901 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.534 1.961 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.217 1.856 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.527 -0.142 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.843 -0.246 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.941 -1.630 1.607 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.979 -1.058 6.164 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.941 -2.008 6.736 1.00 0.00 C ATOM 1285 C GLN A 81 -9.152 -3.229 5.829 1.00 0.00 C ATOM 1286 O GLN A 81 -9.261 -3.098 4.608 1.00 0.00 O ATOM 1287 CB GLN A 81 -10.277 -1.307 7.046 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.165 -0.356 8.251 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.528 0.163 8.711 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -11.888 1.316 8.512 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -12.349 -0.656 9.338 1.00 0.00 N ATOM 0 H GLN A 81 -8.406 -0.202 5.810 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.521 -2.377 7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.603 -0.746 6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.042 -2.057 7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.679 -0.876 9.077 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.528 0.488 7.987 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.070 -1.621 9.515 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.263 -0.325 9.646 1.00 0.00 H new ATOM 1300 N GLY A 82 -9.226 -4.420 6.439 1.00 0.00 N ATOM 1301 CA GLY A 82 -9.317 -5.721 5.764 1.00 0.00 C ATOM 1302 C GLY A 82 -7.948 -6.293 5.386 1.00 0.00 C ATOM 1303 O GLY A 82 -6.905 -5.790 5.809 1.00 0.00 O ATOM 0 H GLY A 82 -9.224 -4.506 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.833 -6.427 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.922 -5.616 4.864 1.00 0.00 H new ATOM 1307 N ASP A 83 -7.954 -7.361 4.586 1.00 0.00 N ATOM 1308 CA ASP A 83 -6.759 -7.981 3.997 1.00 0.00 C ATOM 1309 C ASP A 83 -6.641 -7.590 2.505 1.00 0.00 C ATOM 1310 O ASP A 83 -7.298 -8.159 1.633 1.00 0.00 O ATOM 1311 CB ASP A 83 -6.745 -9.493 4.287 1.00 0.00 C ATOM 1312 CG ASP A 83 -7.745 -10.348 3.486 1.00 0.00 C ATOM 1313 OD1 ASP A 83 -8.974 -10.194 3.685 1.00 0.00 O ATOM 1314 OD2 ASP A 83 -7.279 -11.211 2.702 1.00 0.00 O ATOM 0 H ASP A 83 -8.817 -7.836 4.320 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.852 -7.598 4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.741 -9.870 4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.942 -9.640 5.349 1.00 0.00 H new ATOM 1319 N GLN A 84 -5.819 -6.575 2.216 1.00 0.00 N ATOM 1320 CA GLN A 84 -5.760 -5.882 0.917 1.00 0.00 C ATOM 1321 C GLN A 84 -4.422 -6.064 0.179 1.00 0.00 C ATOM 1322 O GLN A 84 -4.022 -5.214 -0.621 1.00 0.00 O ATOM 1323 CB GLN A 84 -6.123 -4.395 1.135 1.00 0.00 C ATOM 1324 CG GLN A 84 -7.369 -4.136 2.009 1.00 0.00 C ATOM 1325 CD GLN A 84 -8.668 -4.797 1.543 1.00 0.00 C ATOM 1326 OE1 GLN A 84 -8.779 -5.420 0.494 1.00 0.00 O ATOM 1327 NE2 GLN A 84 -9.717 -4.674 2.322 1.00 0.00 N ATOM 0 H GLN A 84 -5.157 -6.200 2.895 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.490 -6.340 0.250 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.270 -3.894 1.592 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.281 -3.931 0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.155 -4.477 3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.532 -3.060 2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.643 -4.159 3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.606 -5.094 2.050 1.00 0.00 H new ATOM 1336 N ARG A 85 -3.732 -7.183 0.434 1.00 0.00 N ATOM 1337 CA ARG A 85 -2.364 -7.467 -0.025 1.00 0.00 C ATOM 1338 C ARG A 85 -2.195 -7.268 -1.538 1.00 0.00 C ATOM 1339 O ARG A 85 -1.406 -6.434 -1.986 1.00 0.00 O ATOM 1340 CB ARG A 85 -1.971 -8.903 0.370 1.00 0.00 C ATOM 1341 CG ARG A 85 -1.998 -9.163 1.889 1.00 0.00 C ATOM 1342 CD ARG A 85 -1.615 -10.609 2.261 1.00 0.00 C ATOM 1343 NE ARG A 85 -2.346 -11.645 1.495 1.00 0.00 N ATOM 1344 CZ ARG A 85 -3.650 -11.907 1.508 1.00 0.00 C ATOM 1345 NH1 ARG A 85 -4.485 -11.229 2.258 1.00 0.00 N ATOM 1346 NH2 ARG A 85 -4.140 -12.863 0.752 1.00 0.00 N ATOM 0 H ARG A 85 -4.125 -7.945 0.987 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.702 -6.752 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.648 -9.602 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.970 -9.112 -0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.313 -8.474 2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.996 -8.948 2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.545 -10.742 2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.800 -10.760 3.324 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.779 -12.230 0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.140 -10.476 2.854 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.480 -11.454 2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.520 -13.407 0.152 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.141 -13.061 0.765 1.00 0.00 H new ATOM 1360 N ALA A 86 -2.978 -8.009 -2.327 1.00 0.00 N ATOM 1361 CA ALA A 86 -2.981 -7.954 -3.788 1.00 0.00 C ATOM 1362 C ALA A 86 -3.470 -6.596 -4.317 1.00 0.00 C ATOM 1363 O ALA A 86 -2.896 -6.053 -5.261 1.00 0.00 O ATOM 1364 CB ALA A 86 -3.863 -9.107 -4.284 1.00 0.00 C ATOM 0 H ALA A 86 -3.646 -8.683 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.965 -8.061 -4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.891 -9.101 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.452 -10.055 -3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.874 -8.986 -3.894 1.00 0.00 H new ATOM 1370 N LYS A 87 -4.486 -6.008 -3.671 1.00 0.00 N ATOM 1371 CA LYS A 87 -5.041 -4.702 -4.047 1.00 0.00 C ATOM 1372 C LYS A 87 -4.000 -3.580 -3.908 1.00 0.00 C ATOM 1373 O LYS A 87 -3.787 -2.816 -4.849 1.00 0.00 O ATOM 1374 CB LYS A 87 -6.296 -4.404 -3.207 1.00 0.00 C ATOM 1375 CG LYS A 87 -7.432 -5.417 -3.426 1.00 0.00 C ATOM 1376 CD LYS A 87 -8.752 -4.863 -2.867 1.00 0.00 C ATOM 1377 CE LYS A 87 -9.875 -5.911 -2.808 1.00 0.00 C ATOM 1378 NZ LYS A 87 -9.644 -6.923 -1.745 1.00 0.00 N ATOM 0 H LYS A 87 -4.949 -6.430 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.324 -4.742 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.024 -4.397 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.658 -3.405 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.540 -5.629 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.188 -6.360 -2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.578 -4.470 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.077 -4.026 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.827 -5.411 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.953 -6.412 -3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.524 -7.448 -1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.901 -7.584 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.345 -6.446 -0.871 1.00 0.00 H new ATOM 1392 N VAL A 88 -3.300 -3.512 -2.774 1.00 0.00 N ATOM 1393 CA VAL A 88 -2.258 -2.494 -2.544 1.00 0.00 C ATOM 1394 C VAL A 88 -1.013 -2.766 -3.399 1.00 0.00 C ATOM 1395 O VAL A 88 -0.420 -1.818 -3.907 1.00 0.00 O ATOM 1396 CB VAL A 88 -1.914 -2.359 -1.045 1.00 0.00 C ATOM 1397 CG1 VAL A 88 -0.769 -1.364 -0.797 1.00 0.00 C ATOM 1398 CG2 VAL A 88 -3.150 -1.861 -0.278 1.00 0.00 C ATOM 0 H VAL A 88 -3.433 -4.153 -1.992 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.662 -1.533 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.600 -3.344 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.564 -1.304 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.126 -1.702 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.056 -0.380 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.907 -1.766 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.454 -0.890 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.966 -2.574 -0.400 1.00 0.00 H new ATOM 1408 N CYS A 89 -0.654 -4.033 -3.647 1.00 0.00 N ATOM 1409 CA CYS A 89 0.395 -4.387 -4.610 1.00 0.00 C ATOM 1410 C CYS A 89 0.079 -3.824 -6.010 1.00 0.00 C ATOM 1411 O CYS A 89 0.891 -3.103 -6.594 1.00 0.00 O ATOM 1412 CB CYS A 89 0.550 -5.914 -4.594 1.00 0.00 C ATOM 1413 SG CYS A 89 1.941 -6.409 -5.647 1.00 0.00 S ATOM 0 H CYS A 89 -1.081 -4.837 -3.187 1.00 0.00 H new ATOM 0 HA CYS A 89 1.347 -3.936 -4.329 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.715 -6.260 -3.574 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.368 -6.384 -4.946 1.00 0.00 H new ATOM 0 HG CYS A 89 2.064 -7.703 -5.624 1.00 0.00 H new ATOM 1419 N GLU A 90 -1.140 -4.062 -6.500 1.00 0.00 N ATOM 1420 CA GLU A 90 -1.630 -3.532 -7.771 1.00 0.00 C ATOM 1421 C GLU A 90 -1.630 -1.992 -7.811 1.00 0.00 C ATOM 1422 O GLU A 90 -1.250 -1.428 -8.834 1.00 0.00 O ATOM 1423 CB GLU A 90 -3.023 -4.118 -8.052 1.00 0.00 C ATOM 1424 CG GLU A 90 -3.498 -3.798 -9.472 1.00 0.00 C ATOM 1425 CD GLU A 90 -4.806 -4.535 -9.796 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -5.900 -3.994 -9.508 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -4.750 -5.659 -10.352 1.00 0.00 O ATOM 0 H GLU A 90 -1.826 -4.640 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.946 -3.838 -8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.998 -5.199 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.737 -3.720 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.647 -2.723 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.729 -4.084 -10.189 1.00 0.00 H new ATOM 1434 N PHE A 91 -1.969 -1.299 -6.713 1.00 0.00 N ATOM 1435 CA PHE A 91 -1.886 0.165 -6.631 1.00 0.00 C ATOM 1436 C PHE A 91 -0.447 0.668 -6.839 1.00 0.00 C ATOM 1437 O PHE A 91 -0.223 1.576 -7.642 1.00 0.00 O ATOM 1438 CB PHE A 91 -2.444 0.641 -5.278 1.00 0.00 C ATOM 1439 CG PHE A 91 -2.016 2.048 -4.911 1.00 0.00 C ATOM 1440 CD1 PHE A 91 -2.546 3.156 -5.593 1.00 0.00 C ATOM 1441 CD2 PHE A 91 -1.001 2.235 -3.956 1.00 0.00 C ATOM 1442 CE1 PHE A 91 -2.048 4.444 -5.327 1.00 0.00 C ATOM 1443 CE2 PHE A 91 -0.511 3.523 -3.687 1.00 0.00 C ATOM 1444 CZ PHE A 91 -1.046 4.631 -4.366 1.00 0.00 C ATOM 0 H PHE A 91 -2.308 -1.739 -5.858 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.489 0.586 -7.435 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.533 0.596 -5.307 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.117 -0.045 -4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.333 3.019 -6.319 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.597 1.384 -3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.440 5.293 -5.866 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.275 3.662 -2.960 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.685 5.625 -4.147 1.00 0.00 H new ATOM 1454 N MET A 92 0.524 0.069 -6.146 1.00 0.00 N ATOM 1455 CA MET A 92 1.945 0.441 -6.235 1.00 0.00 C ATOM 1456 C MET A 92 2.472 0.226 -7.664 1.00 0.00 C ATOM 1457 O MET A 92 3.162 1.084 -8.212 1.00 0.00 O ATOM 1458 CB MET A 92 2.752 -0.377 -5.210 1.00 0.00 C ATOM 1459 CG MET A 92 2.314 -0.160 -3.750 1.00 0.00 C ATOM 1460 SD MET A 92 2.960 1.295 -2.900 1.00 0.00 S ATOM 1461 CE MET A 92 1.839 1.293 -1.478 1.00 0.00 C ATOM 0 H MET A 92 0.347 -0.698 -5.498 1.00 0.00 H new ATOM 0 HA MET A 92 2.058 1.500 -6.002 1.00 0.00 H new ATOM 0 HB2 MET A 92 2.660 -1.436 -5.452 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.807 -0.119 -5.304 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.225 -0.108 -3.729 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.602 -1.041 -3.177 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.244 1.934 -0.695 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.862 1.667 -1.784 1.00 0.00 H new ATOM 0 HE3 MET A 92 1.735 0.277 -1.098 1.00 0.00 H new ATOM 1471 N ILE A 93 2.092 -0.883 -8.305 1.00 0.00 N ATOM 1472 CA ILE A 93 2.460 -1.199 -9.699 1.00 0.00 C ATOM 1473 C ILE A 93 1.779 -0.242 -10.694 1.00 0.00 C ATOM 1474 O ILE A 93 2.432 0.302 -11.581 1.00 0.00 O ATOM 1475 CB ILE A 93 2.141 -2.686 -10.001 1.00 0.00 C ATOM 1476 CG1 ILE A 93 3.000 -3.625 -9.120 1.00 0.00 C ATOM 1477 CG2 ILE A 93 2.391 -3.025 -11.484 1.00 0.00 C ATOM 1478 CD1 ILE A 93 2.457 -5.059 -9.028 1.00 0.00 C ATOM 0 H ILE A 93 1.512 -1.600 -7.869 1.00 0.00 H new ATOM 0 HA ILE A 93 3.533 -1.052 -9.823 1.00 0.00 H new ATOM 0 HB ILE A 93 1.086 -2.838 -9.775 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.014 -3.655 -9.519 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.065 -3.206 -8.116 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.158 -4.075 -11.662 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.755 -2.401 -12.112 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.437 -2.839 -11.728 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.112 -5.656 -8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.455 -5.042 -8.600 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.418 -5.498 -10.025 1.00 0.00 H new ATOM 1490 N SER A 94 0.472 -0.025 -10.560 1.00 0.00 N ATOM 1491 CA SER A 94 -0.347 0.692 -11.549 1.00 0.00 C ATOM 1492 C SER A 94 -0.249 2.223 -11.445 1.00 0.00 C ATOM 1493 O SER A 94 -0.065 2.906 -12.456 1.00 0.00 O ATOM 1494 CB SER A 94 -1.813 0.250 -11.380 1.00 0.00 C ATOM 1495 OG SER A 94 -2.688 0.947 -12.256 1.00 0.00 O ATOM 0 H SER A 94 -0.060 -0.345 -9.751 1.00 0.00 H new ATOM 0 HA SER A 94 0.037 0.435 -12.536 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.892 -0.821 -11.567 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.125 0.417 -10.349 1.00 0.00 H new ATOM 0 HG SER A 94 -3.607 0.635 -12.117 1.00 0.00 H new ATOM 1501 N GLN A 95 -0.387 2.778 -10.235 1.00 0.00 N ATOM 1502 CA GLN A 95 -0.556 4.221 -10.025 1.00 0.00 C ATOM 1503 C GLN A 95 0.751 4.930 -9.643 1.00 0.00 C ATOM 1504 O GLN A 95 0.958 6.068 -10.070 1.00 0.00 O ATOM 1505 CB GLN A 95 -1.636 4.455 -8.956 1.00 0.00 C ATOM 1506 CG GLN A 95 -3.016 3.873 -9.320 1.00 0.00 C ATOM 1507 CD GLN A 95 -3.595 4.474 -10.606 1.00 0.00 C ATOM 1508 OE1 GLN A 95 -4.102 5.588 -10.625 1.00 0.00 O ATOM 1509 NE2 GLN A 95 -3.531 3.788 -11.731 1.00 0.00 N ATOM 0 H GLN A 95 -0.385 2.237 -9.370 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.869 4.658 -10.973 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.304 4.014 -8.016 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.739 5.527 -8.787 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.930 2.793 -9.436 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.709 4.051 -8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.113 2.858 -11.738 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.900 4.188 -12.594 1.00 0.00 H new ATOM 1518 N LEU A 96 1.649 4.274 -8.894 1.00 0.00 N ATOM 1519 CA LEU A 96 2.998 4.805 -8.633 1.00 0.00 C ATOM 1520 C LEU A 96 3.991 4.436 -9.752 1.00 0.00 C ATOM 1521 O LEU A 96 5.066 5.035 -9.843 1.00 0.00 O ATOM 1522 CB LEU A 96 3.518 4.337 -7.261 1.00 0.00 C ATOM 1523 CG LEU A 96 2.553 4.527 -6.072 1.00 0.00 C ATOM 1524 CD1 LEU A 96 3.278 4.138 -4.781 1.00 0.00 C ATOM 1525 CD2 LEU A 96 2.027 5.966 -5.951 1.00 0.00 C ATOM 0 H LEU A 96 1.466 3.371 -8.456 1.00 0.00 H new ATOM 0 HA LEU A 96 2.918 5.892 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.772 3.279 -7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.442 4.872 -7.043 1.00 0.00 H new ATOM 0 HG LEU A 96 1.687 3.888 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.606 4.268 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.591 3.096 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.154 4.773 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.354 6.037 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.865 6.649 -5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.489 6.234 -6.860 1.00 0.00 H new ATOM 1537 N GLY A 97 3.641 3.464 -10.605 1.00 0.00 N ATOM 1538 CA GLY A 97 4.448 3.013 -11.745 1.00 0.00 C ATOM 1539 C GLY A 97 5.605 2.086 -11.355 1.00 0.00 C ATOM 1540 O GLY A 97 6.538 1.925 -12.145 1.00 0.00 O ATOM 0 H GLY A 97 2.762 2.955 -10.517 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.802 2.494 -12.453 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.851 3.885 -12.261 1.00 0.00 H new ATOM 1544 N LEU A 98 5.587 1.514 -10.144 1.00 0.00 N ATOM 1545 CA LEU A 98 6.687 0.710 -9.604 1.00 0.00 C ATOM 1546 C LEU A 98 6.791 -0.664 -10.288 1.00 0.00 C ATOM 1547 O LEU A 98 5.797 -1.227 -10.748 1.00 0.00 O ATOM 1548 CB LEU A 98 6.535 0.585 -8.075 1.00 0.00 C ATOM 1549 CG LEU A 98 6.791 1.909 -7.324 1.00 0.00 C ATOM 1550 CD1 LEU A 98 6.328 1.765 -5.874 1.00 0.00 C ATOM 1551 CD2 LEU A 98 8.283 2.286 -7.341 1.00 0.00 C ATOM 0 H LEU A 98 4.797 1.599 -9.505 1.00 0.00 H new ATOM 0 HA LEU A 98 7.625 1.221 -9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.529 0.234 -7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.229 -0.172 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 98 6.232 2.698 -7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.507 2.698 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.263 1.534 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.883 0.960 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.428 3.223 -6.804 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.863 1.498 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.617 2.404 -8.372 1.00 0.00 H new ATOM 1563 N GLN A 99 8.005 -1.219 -10.332 1.00 0.00 N ATOM 1564 CA GLN A 99 8.247 -2.571 -10.843 1.00 0.00 C ATOM 1565 C GLN A 99 7.758 -3.612 -9.823 1.00 0.00 C ATOM 1566 O GLN A 99 7.949 -3.449 -8.617 1.00 0.00 O ATOM 1567 CB GLN A 99 9.741 -2.777 -11.150 1.00 0.00 C ATOM 1568 CG GLN A 99 10.264 -1.902 -12.300 1.00 0.00 C ATOM 1569 CD GLN A 99 11.755 -2.140 -12.553 1.00 0.00 C ATOM 1570 OE1 GLN A 99 12.172 -3.167 -13.077 1.00 0.00 O ATOM 1571 NE2 GLN A 99 12.626 -1.227 -12.171 1.00 0.00 N ATOM 0 H GLN A 99 8.849 -0.743 -10.014 1.00 0.00 H new ATOM 0 HA GLN A 99 7.690 -2.698 -11.771 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.320 -2.564 -10.251 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.910 -3.825 -11.397 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.701 -2.118 -13.208 1.00 0.00 H new ATOM 0 HG3 GLN A 99 10.097 -0.851 -12.064 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.302 -0.365 -11.733 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.624 -1.383 -12.314 1.00 0.00 H new ATOM 1580 N LYS A 100 7.161 -4.712 -10.299 1.00 0.00 N ATOM 1581 CA LYS A 100 6.552 -5.741 -9.435 1.00 0.00 C ATOM 1582 C LYS A 100 7.551 -6.340 -8.423 1.00 0.00 C ATOM 1583 O LYS A 100 7.220 -6.590 -7.263 1.00 0.00 O ATOM 1584 CB LYS A 100 5.923 -6.842 -10.298 1.00 0.00 C ATOM 1585 CG LYS A 100 5.009 -6.290 -11.404 1.00 0.00 C ATOM 1586 CD LYS A 100 4.045 -7.388 -11.848 1.00 0.00 C ATOM 1587 CE LYS A 100 3.320 -6.992 -13.142 1.00 0.00 C ATOM 1588 NZ LYS A 100 2.402 -8.064 -13.608 1.00 0.00 N ATOM 0 H LYS A 100 7.085 -4.917 -11.295 1.00 0.00 H new ATOM 0 HA LYS A 100 5.775 -5.253 -8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.715 -7.437 -10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.347 -7.512 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.453 -5.427 -11.037 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.606 -5.949 -12.250 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.593 -8.317 -12.004 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.315 -7.576 -11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.754 -6.075 -12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.054 -6.778 -13.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.930 -7.761 -14.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.946 -8.932 -13.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.687 -8.251 -12.876 1.00 0.00 H new ATOM 1602 N LYS A 101 8.807 -6.503 -8.859 1.00 0.00 N ATOM 1603 CA LYS A 101 9.947 -7.011 -8.080 1.00 0.00 C ATOM 1604 C LYS A 101 10.276 -6.201 -6.806 1.00 0.00 C ATOM 1605 O LYS A 101 10.894 -6.739 -5.888 1.00 0.00 O ATOM 1606 CB LYS A 101 11.159 -7.119 -9.023 1.00 0.00 C ATOM 1607 CG LYS A 101 11.715 -5.745 -9.439 1.00 0.00 C ATOM 1608 CD LYS A 101 12.731 -5.824 -10.581 1.00 0.00 C ATOM 1609 CE LYS A 101 12.091 -6.293 -11.898 1.00 0.00 C ATOM 1610 NZ LYS A 101 12.926 -5.939 -13.073 1.00 0.00 N ATOM 0 H LYS A 101 9.071 -6.272 -9.817 1.00 0.00 H new ATOM 0 HA LYS A 101 9.671 -7.991 -7.691 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.946 -7.691 -8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.871 -7.675 -9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.888 -5.102 -9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.185 -5.274 -8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.185 -4.844 -10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.533 -6.509 -10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.946 -7.373 -11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.105 -5.842 -12.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.617 -6.492 -13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.824 -4.925 -13.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.923 -6.152 -12.867 1.00 0.00 H new ATOM 1624 N ASN A 102 9.848 -4.936 -6.719 1.00 0.00 N ATOM 1625 CA ASN A 102 10.085 -4.063 -5.559 1.00 0.00 C ATOM 1626 C ASN A 102 9.174 -4.392 -4.356 1.00 0.00 C ATOM 1627 O ASN A 102 9.365 -3.835 -3.274 1.00 0.00 O ATOM 1628 CB ASN A 102 9.894 -2.588 -5.965 1.00 0.00 C ATOM 1629 CG ASN A 102 10.960 -2.049 -6.922 1.00 0.00 C ATOM 1630 OD1 ASN A 102 11.496 -2.737 -7.780 1.00 0.00 O ATOM 1631 ND2 ASN A 102 11.308 -0.781 -6.791 1.00 0.00 N ATOM 0 H ASN A 102 9.319 -4.481 -7.463 1.00 0.00 H new ATOM 0 HA ASN A 102 11.112 -4.239 -5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 102 8.915 -2.477 -6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 102 9.889 -1.974 -5.064 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.019 -0.382 -7.403 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.865 -0.202 -6.078 1.00 0.00 H new ATOM 1638 N ILE A 103 8.162 -5.253 -4.525 1.00 0.00 N ATOM 1639 CA ILE A 103 7.099 -5.492 -3.534 1.00 0.00 C ATOM 1640 C ILE A 103 7.198 -6.913 -2.965 1.00 0.00 C ATOM 1641 O ILE A 103 7.328 -7.891 -3.705 1.00 0.00 O ATOM 1642 CB ILE A 103 5.711 -5.222 -4.168 1.00 0.00 C ATOM 1643 CG1 ILE A 103 5.647 -3.821 -4.828 1.00 0.00 C ATOM 1644 CG2 ILE A 103 4.609 -5.356 -3.096 1.00 0.00 C ATOM 1645 CD1 ILE A 103 4.402 -3.612 -5.690 1.00 0.00 C ATOM 0 H ILE A 103 8.055 -5.815 -5.370 1.00 0.00 H new ATOM 0 HA ILE A 103 7.227 -4.801 -2.701 1.00 0.00 H new ATOM 0 HB ILE A 103 5.549 -5.964 -4.950 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.672 -3.059 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.535 -3.677 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.636 -5.165 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.625 -6.364 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.787 -4.634 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.422 -2.611 -6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.385 -4.352 -6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.510 -3.724 -5.074 1.00 0.00 H new ATOM 1657 N LYS A 104 7.097 -7.023 -1.640 1.00 0.00 N ATOM 1658 CA LYS A 104 6.951 -8.270 -0.885 1.00 0.00 C ATOM 1659 C LYS A 104 5.542 -8.357 -0.270 1.00 0.00 C ATOM 1660 O LYS A 104 5.066 -7.404 0.354 1.00 0.00 O ATOM 1661 CB LYS A 104 8.000 -8.317 0.240 1.00 0.00 C ATOM 1662 CG LYS A 104 9.474 -8.280 -0.190 1.00 0.00 C ATOM 1663 CD LYS A 104 9.890 -9.491 -1.033 1.00 0.00 C ATOM 1664 CE LYS A 104 11.421 -9.585 -1.050 1.00 0.00 C ATOM 1665 NZ LYS A 104 11.904 -10.677 -1.936 1.00 0.00 N ATOM 0 H LYS A 104 7.116 -6.204 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 104 7.098 -9.111 -1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.819 -7.476 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.837 -9.226 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.656 -7.369 -0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.103 -8.231 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.461 -10.403 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.508 -9.392 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.838 -8.635 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.785 -9.753 -0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.943 -10.705 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.527 -11.587 -1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.579 -10.504 -2.909 1.00 0.00 H new ATOM 1679 N ILE A 105 4.884 -9.510 -0.397 1.00 0.00 N ATOM 1680 CA ILE A 105 3.595 -9.803 0.255 1.00 0.00 C ATOM 1681 C ILE A 105 3.813 -10.830 1.373 1.00 0.00 C ATOM 1682 O ILE A 105 4.409 -11.884 1.149 1.00 0.00 O ATOM 1683 CB ILE A 105 2.549 -10.266 -0.791 1.00 0.00 C ATOM 1684 CG1 ILE A 105 2.195 -9.086 -1.729 1.00 0.00 C ATOM 1685 CG2 ILE A 105 1.296 -10.806 -0.078 1.00 0.00 C ATOM 1686 CD1 ILE A 105 1.222 -9.443 -2.860 1.00 0.00 C ATOM 0 H ILE A 105 5.233 -10.283 -0.964 1.00 0.00 H new ATOM 0 HA ILE A 105 3.193 -8.898 0.711 1.00 0.00 H new ATOM 0 HB ILE A 105 2.966 -11.072 -1.395 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.761 -8.282 -1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.115 -8.698 -2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.566 -11.129 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.572 -11.652 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.862 -10.020 0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.030 -8.559 -3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 105 1.659 -10.223 -3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.285 -9.801 -2.434 1.00 0.00 H new ATOM 1698 N HIS A 106 3.312 -10.518 2.567 1.00 0.00 N ATOM 1699 CA HIS A 106 3.352 -11.371 3.761 1.00 0.00 C ATOM 1700 C HIS A 106 1.944 -11.565 4.372 1.00 0.00 C ATOM 1701 O HIS A 106 1.026 -10.777 4.126 1.00 0.00 O ATOM 1702 CB HIS A 106 4.302 -10.743 4.796 1.00 0.00 C ATOM 1703 CG HIS A 106 5.667 -10.347 4.281 1.00 0.00 C ATOM 1704 ND1 HIS A 106 6.826 -11.124 4.369 1.00 0.00 N ATOM 1705 CD2 HIS A 106 5.989 -9.144 3.722 1.00 0.00 C ATOM 1706 CE1 HIS A 106 7.813 -10.366 3.860 1.00 0.00 C ATOM 1707 NE2 HIS A 106 7.342 -9.167 3.480 1.00 0.00 N ATOM 0 H HIS A 106 2.847 -9.627 2.740 1.00 0.00 H new ATOM 0 HA HIS A 106 3.717 -12.356 3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.821 -9.858 5.213 1.00 0.00 H new ATOM 0 HB3 HIS A 106 4.435 -11.450 5.615 1.00 0.00 H new ATOM 0 HD1 HIS A 106 6.906 -12.070 4.742 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.311 -8.330 3.510 1.00 0.00 H new ATOM 0 HE1 HIS A 106 8.843 -10.678 3.769 1.00 0.00 H new ATOM 1715 N GLY A 107 1.781 -12.599 5.205 1.00 0.00 N ATOM 1716 CA GLY A 107 0.570 -12.840 6.003 1.00 0.00 C ATOM 1717 C GLY A 107 0.613 -12.104 7.346 1.00 0.00 C ATOM 1718 O GLY A 107 1.106 -10.978 7.437 1.00 0.00 O ATOM 0 H GLY A 107 2.501 -13.307 5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.306 -12.517 5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.459 -13.910 6.179 1.00 0.00 H new ATOM 1722 N PHE A 108 0.080 -12.748 8.384 1.00 0.00 N ATOM 1723 CA PHE A 108 0.203 -12.325 9.793 1.00 0.00 C ATOM 1724 C PHE A 108 1.625 -12.545 10.366 1.00 0.00 C ATOM 1725 O PHE A 108 2.236 -13.605 10.091 1.00 0.00 O ATOM 1726 CB PHE A 108 -0.823 -13.080 10.652 1.00 0.00 C ATOM 1727 CG PHE A 108 -2.283 -12.759 10.380 1.00 0.00 C ATOM 1728 CD1 PHE A 108 -3.014 -13.495 9.426 1.00 0.00 C ATOM 1729 CD2 PHE A 108 -2.931 -11.754 11.125 1.00 0.00 C ATOM 1730 CE1 PHE A 108 -4.380 -13.227 9.220 1.00 0.00 C ATOM 1731 CE2 PHE A 108 -4.300 -11.496 10.928 1.00 0.00 C ATOM 1732 CZ PHE A 108 -5.025 -12.232 9.974 1.00 0.00 C ATOM 1733 OXT PHE A 108 2.108 -11.664 11.113 1.00 0.00 O ATOM 0 H PHE A 108 -0.466 -13.603 8.273 1.00 0.00 H new ATOM 0 HA PHE A 108 0.008 -11.253 9.823 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.673 -14.150 10.506 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -0.614 -12.870 11.701 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.524 -14.267 8.851 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.374 -11.179 11.850 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -4.934 -13.787 8.481 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -4.794 -10.732 11.510 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.075 -12.033 9.821 1.00 0.00 H new TER 1743 PHE A 108