USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 720 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 57 LYS NZ :NH3+ 146:sc= -0.0555 (180deg=0) USER MOD Set 1.2: A 61 LYS NZ :NH3+ -170:sc= -1.35 (180deg=-1.7!) USER MOD Set 2.1: A 37 ASN : amide:sc= -0.134 X(o=-0.083,f=0.07) USER MOD Set 2.2: A 70 TYR OH : rot 180:sc= 0.0505 USER MOD Set 3.1: A 15 LYS NZ :NH3+ -155:sc= 0.0589 (180deg=0) USER MOD Set 3.2: A 27 THR OG1 : rot -83:sc= 0.867 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00319 K(o=-0.0032,f=-1.4!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -153:sc= -0.535 (180deg=-0.871) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 160:sc= 0.00144 USER MOD Single : A 35 ASN : amide:sc= -6.22! C(o=-6.2!,f=-6.5!) USER MOD Single : A 40 ASN : amide:sc= -0.412 K(o=-0.41,f=-1.3) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0519 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0116 (180deg=-0.133) USER MOD Single : A 54 GLN : amide:sc= -8.35! C(o=-8.3!,f=-6.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0538 USER MOD Single : A 65 GLN : amide:sc= 0.418 K(o=0.42,f=-4.9!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.394 K(o=0.39,f=-1.9!) USER MOD Single : A 84 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.087) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.038 X(o=-0.038,f=-0.45) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.117 4.868 -16.590 1.00 0.00 N ATOM 2 CA GLY A 1 26.151 3.790 -16.490 1.00 0.00 C ATOM 3 C GLY A 1 24.936 4.174 -15.670 1.00 0.00 C ATOM 4 O GLY A 1 24.612 3.516 -14.681 1.00 0.00 O ATOM 0 H1 GLY A 1 27.929 4.555 -17.160 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.672 5.692 -17.043 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.443 5.131 -15.638 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.832 3.498 -17.491 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.628 2.919 -16.041 1.00 0.00 H new ATOM 8 N SER A 2 24.261 5.243 -16.080 1.00 0.00 N ATOM 9 CA SER A 2 23.077 5.717 -15.373 1.00 0.00 C ATOM 10 C SER A 2 21.855 4.879 -15.737 1.00 0.00 C ATOM 11 O SER A 2 21.106 5.219 -16.652 1.00 0.00 O ATOM 12 CB SER A 2 22.817 7.189 -15.701 1.00 0.00 C ATOM 13 OG SER A 2 23.879 8.009 -15.245 1.00 0.00 O ATOM 0 H SER A 2 24.514 5.797 -16.898 1.00 0.00 H new ATOM 0 HA SER A 2 23.258 5.617 -14.303 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.697 7.309 -16.778 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.883 7.508 -15.239 1.00 0.00 H new ATOM 0 HG SER A 2 23.689 8.944 -15.468 1.00 0.00 H new ATOM 19 N SER A 3 21.660 3.782 -15.012 1.00 0.00 N ATOM 20 CA SER A 3 20.532 2.893 -15.260 1.00 0.00 C ATOM 21 C SER A 3 20.183 2.096 -14.006 1.00 0.00 C ATOM 22 O SER A 3 20.902 2.139 -13.009 1.00 0.00 O ATOM 23 CB SER A 3 20.851 1.938 -16.412 1.00 0.00 C ATOM 24 OG SER A 3 21.850 1.005 -16.040 1.00 0.00 O ATOM 0 H SER A 3 22.269 3.488 -14.248 1.00 0.00 H new ATOM 0 HA SER A 3 19.672 3.505 -15.532 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.947 1.408 -16.710 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.186 2.508 -17.279 1.00 0.00 H new ATOM 0 HG SER A 3 22.034 0.405 -16.793 1.00 0.00 H new ATOM 30 N GLY A 4 19.072 1.367 -14.066 1.00 0.00 N ATOM 31 CA GLY A 4 18.646 0.570 -12.930 1.00 0.00 C ATOM 32 C GLY A 4 17.152 0.658 -12.688 1.00 0.00 C ATOM 33 O GLY A 4 16.647 1.693 -12.254 1.00 0.00 O ATOM 0 H GLY A 4 18.460 1.314 -14.880 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.923 -0.471 -13.096 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.176 0.903 -12.037 1.00 0.00 H new ATOM 37 N SER A 5 16.444 -0.430 -12.972 1.00 0.00 N ATOM 38 CA SER A 5 14.998 -0.470 -12.788 1.00 0.00 C ATOM 39 C SER A 5 14.596 -1.637 -11.890 1.00 0.00 C ATOM 40 O SER A 5 15.272 -2.665 -11.851 1.00 0.00 O ATOM 41 CB SER A 5 14.293 -0.588 -14.141 1.00 0.00 C ATOM 42 OG SER A 5 12.899 -0.370 -14.011 1.00 0.00 O ATOM 0 H SER A 5 16.848 -1.295 -13.330 1.00 0.00 H new ATOM 0 HA SER A 5 14.693 0.459 -12.306 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.714 0.136 -14.838 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.472 -1.577 -14.563 1.00 0.00 H new ATOM 0 HG SER A 5 12.472 -0.449 -14.890 1.00 0.00 H new ATOM 48 N SER A 6 13.492 -1.468 -11.170 1.00 0.00 N ATOM 49 CA SER A 6 13.001 -2.504 -10.269 1.00 0.00 C ATOM 50 C SER A 6 12.250 -3.585 -11.041 1.00 0.00 C ATOM 51 O SER A 6 12.546 -4.772 -10.917 1.00 0.00 O ATOM 52 CB SER A 6 12.088 -1.894 -9.205 1.00 0.00 C ATOM 53 OG SER A 6 12.809 -1.021 -8.353 1.00 0.00 O ATOM 0 H SER A 6 12.920 -0.623 -11.193 1.00 0.00 H new ATOM 0 HA SER A 6 13.861 -2.962 -9.780 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.277 -1.349 -9.687 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.631 -2.688 -8.615 1.00 0.00 H new ATOM 0 HG SER A 6 12.202 -0.643 -7.683 1.00 0.00 H new ATOM 59 N GLY A 7 11.275 -3.162 -11.841 1.00 0.00 N ATOM 60 CA GLY A 7 10.496 -4.105 -12.622 1.00 0.00 C ATOM 61 C GLY A 7 9.007 -3.830 -12.546 1.00 0.00 C ATOM 62 O GLY A 7 8.382 -4.042 -11.508 1.00 0.00 O ATOM 0 H GLY A 7 11.011 -2.184 -11.962 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.817 -4.063 -13.663 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.694 -5.117 -12.268 1.00 0.00 H new ATOM 66 N ASN A 8 8.438 -3.354 -13.649 1.00 0.00 N ATOM 67 CA ASN A 8 7.013 -3.047 -13.702 1.00 0.00 C ATOM 68 C ASN A 8 6.177 -4.293 -13.430 1.00 0.00 C ATOM 69 O ASN A 8 6.180 -5.239 -14.218 1.00 0.00 O ATOM 70 CB ASN A 8 6.647 -2.462 -15.068 1.00 0.00 C ATOM 71 CG ASN A 8 7.199 -1.062 -15.264 1.00 0.00 C ATOM 72 OD1 ASN A 8 7.620 -0.410 -14.309 1.00 0.00 O ATOM 73 ND2 ASN A 8 7.197 -0.595 -16.507 1.00 0.00 N ATOM 0 H ASN A 8 8.941 -3.173 -14.517 1.00 0.00 H new ATOM 0 HA ASN A 8 6.797 -2.310 -12.928 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.029 -3.114 -15.854 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.562 -2.440 -15.172 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.555 0.340 -16.701 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.838 -1.172 -17.268 1.00 0.00 H new ATOM 80 N ALA A 9 5.462 -4.287 -12.310 1.00 0.00 N ATOM 81 CA ALA A 9 4.620 -5.415 -11.935 1.00 0.00 C ATOM 82 C ALA A 9 3.142 -5.078 -12.105 1.00 0.00 C ATOM 83 O ALA A 9 2.765 -3.907 -12.146 1.00 0.00 O ATOM 84 CB ALA A 9 4.905 -5.834 -10.500 1.00 0.00 C ATOM 0 H ALA A 9 5.449 -3.513 -11.646 1.00 0.00 H new ATOM 0 HA ALA A 9 4.855 -6.247 -12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.268 -6.678 -10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.951 -6.125 -10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.700 -4.999 -9.830 1.00 0.00 H new ATOM 90 N GLN A 10 2.312 -6.111 -12.205 1.00 0.00 N ATOM 91 CA GLN A 10 0.876 -5.922 -12.372 1.00 0.00 C ATOM 92 C GLN A 10 0.201 -5.660 -11.030 1.00 0.00 C ATOM 93 O GLN A 10 0.751 -5.977 -9.975 1.00 0.00 O ATOM 94 CB GLN A 10 0.253 -7.150 -13.039 1.00 0.00 C ATOM 95 CG GLN A 10 0.800 -7.431 -14.429 1.00 0.00 C ATOM 96 CD GLN A 10 0.771 -8.906 -14.780 1.00 0.00 C ATOM 97 OE1 GLN A 10 1.814 -9.547 -14.903 1.00 0.00 O ATOM 98 NE2 GLN A 10 -0.429 -9.452 -14.944 1.00 0.00 N ATOM 0 H GLN A 10 2.609 -7.086 -12.173 1.00 0.00 H new ATOM 0 HA GLN A 10 0.722 -5.052 -13.011 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.424 -8.022 -12.407 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.826 -7.010 -13.104 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.218 -6.875 -15.164 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.825 -7.066 -14.493 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.268 -8.883 -14.832 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.511 -10.441 -15.182 1.00 0.00 H new ATOM 107 N ARG A 11 -0.994 -5.079 -11.077 1.00 0.00 N ATOM 108 CA ARG A 11 -1.743 -4.772 -9.864 1.00 0.00 C ATOM 109 C ARG A 11 -2.264 -6.049 -9.211 1.00 0.00 C ATOM 110 O ARG A 11 -3.385 -6.481 -9.478 1.00 0.00 O ATOM 111 CB ARG A 11 -2.910 -3.836 -10.183 1.00 0.00 C ATOM 112 CG ARG A 11 -2.475 -2.439 -10.594 1.00 0.00 C ATOM 113 CD ARG A 11 -1.872 -1.677 -9.425 1.00 0.00 C ATOM 114 NE ARG A 11 -1.516 -0.308 -9.789 1.00 0.00 N ATOM 115 CZ ARG A 11 -2.386 0.696 -9.810 1.00 0.00 C ATOM 116 NH1 ARG A 11 -3.655 0.486 -9.490 1.00 0.00 N ATOM 117 NH2 ARG A 11 -1.986 1.915 -10.152 1.00 0.00 N ATOM 0 H ARG A 11 -1.464 -4.812 -11.942 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.069 -4.275 -9.166 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.506 -4.272 -10.984 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.556 -3.764 -9.308 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.745 -2.507 -11.401 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.332 -1.890 -10.984 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.583 -1.659 -8.599 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.984 -2.200 -9.071 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.547 -0.112 -10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.967 -0.449 -9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.320 1.259 -9.507 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.010 2.081 -10.399 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.654 2.685 -10.168 1.00 0.00 H new ATOM 131 N SER A 12 -1.443 -6.647 -8.354 1.00 0.00 N ATOM 132 CA SER A 12 -1.820 -7.876 -7.665 1.00 0.00 C ATOM 133 C SER A 12 -2.016 -7.624 -6.173 1.00 0.00 C ATOM 134 O SER A 12 -1.634 -6.576 -5.652 1.00 0.00 O ATOM 135 CB SER A 12 -0.753 -8.951 -7.877 1.00 0.00 C ATOM 136 OG SER A 12 -0.933 -9.612 -9.117 1.00 0.00 O ATOM 0 H SER A 12 -0.513 -6.301 -8.120 1.00 0.00 H new ATOM 0 HA SER A 12 -2.764 -8.224 -8.084 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.237 -8.496 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.797 -9.677 -7.065 1.00 0.00 H new ATOM 0 HG SER A 12 -0.237 -10.293 -9.229 1.00 0.00 H new ATOM 142 N THR A 13 -2.615 -8.595 -5.490 1.00 0.00 N ATOM 143 CA THR A 13 -2.864 -8.480 -4.058 1.00 0.00 C ATOM 144 C THR A 13 -1.730 -9.101 -3.251 1.00 0.00 C ATOM 145 O THR A 13 -1.467 -8.698 -2.117 1.00 0.00 O ATOM 146 CB THR A 13 -4.190 -9.156 -3.662 1.00 0.00 C ATOM 147 OG1 THR A 13 -4.023 -10.577 -3.620 1.00 0.00 O ATOM 148 CG2 THR A 13 -5.294 -8.799 -4.647 1.00 0.00 C ATOM 0 H THR A 13 -2.937 -9.469 -5.905 1.00 0.00 H new ATOM 0 HA THR A 13 -2.926 -7.415 -3.833 1.00 0.00 H new ATOM 0 HB THR A 13 -4.475 -8.795 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.870 -10.999 -3.366 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.221 -9.288 -4.347 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.439 -7.719 -4.655 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.013 -9.135 -5.645 1.00 0.00 H new ATOM 156 N LEU A 14 -1.059 -10.084 -3.842 1.00 0.00 N ATOM 157 CA LEU A 14 0.049 -10.761 -3.178 1.00 0.00 C ATOM 158 C LEU A 14 1.067 -9.754 -2.654 1.00 0.00 C ATOM 159 O LEU A 14 1.896 -10.078 -1.802 1.00 0.00 O ATOM 160 CB LEU A 14 0.728 -11.736 -4.142 1.00 0.00 C ATOM 161 CG LEU A 14 -0.125 -12.912 -4.620 1.00 0.00 C ATOM 162 CD1 LEU A 14 -0.904 -12.533 -5.870 1.00 0.00 C ATOM 163 CD2 LEU A 14 0.746 -14.132 -4.881 1.00 0.00 C ATOM 0 H LEU A 14 -1.263 -10.430 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.353 -11.317 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.063 -11.177 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.620 -12.133 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.838 -13.162 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.505 -13.382 -6.196 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.558 -11.689 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.208 -12.256 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.122 -14.959 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.483 -13.895 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.258 -14.417 -3.962 1.00 0.00 H new ATOM 175 N LYS A 15 0.999 -8.530 -3.167 1.00 0.00 N ATOM 176 CA LYS A 15 1.912 -7.473 -2.749 1.00 0.00 C ATOM 177 C LYS A 15 1.273 -6.594 -1.679 1.00 0.00 C ATOM 178 O LYS A 15 1.931 -6.190 -0.720 1.00 0.00 O ATOM 179 CB LYS A 15 2.319 -6.618 -3.951 1.00 0.00 C ATOM 180 CG LYS A 15 2.988 -5.309 -3.567 1.00 0.00 C ATOM 181 CD LYS A 15 3.984 -4.862 -4.624 1.00 0.00 C ATOM 182 CE LYS A 15 4.568 -3.496 -4.298 1.00 0.00 C ATOM 183 NZ LYS A 15 5.692 -3.591 -3.326 1.00 0.00 N ATOM 0 H LYS A 15 0.320 -8.246 -3.873 1.00 0.00 H new ATOM 0 HA LYS A 15 2.801 -7.941 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.998 -7.192 -4.582 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.434 -6.402 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.230 -4.538 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.498 -5.427 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.788 -5.594 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.493 -4.826 -5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.920 -3.023 -5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.787 -2.855 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.785 -2.691 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.502 -4.357 -2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.576 -3.791 -3.836 1.00 0.00 H new ATOM 197 N TRP A 16 -0.011 -6.302 -1.849 1.00 0.00 N ATOM 198 CA TRP A 16 -0.739 -5.472 -0.896 1.00 0.00 C ATOM 199 C TRP A 16 -0.547 -5.982 0.528 1.00 0.00 C ATOM 200 O TRP A 16 -0.190 -5.220 1.426 1.00 0.00 O ATOM 201 CB TRP A 16 -2.228 -5.445 -1.244 1.00 0.00 C ATOM 202 CG TRP A 16 -2.540 -4.615 -2.452 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.682 -4.281 -3.461 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.798 -4.012 -2.777 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.331 -3.507 -4.393 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.630 -3.329 -3.997 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.050 -3.986 -2.156 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.667 -2.627 -4.605 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.078 -3.288 -2.761 1.00 0.00 C ATOM 210 CH2 TRP A 16 -5.883 -2.617 -3.976 1.00 0.00 C ATOM 0 H TRP A 16 -0.570 -6.628 -2.638 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.341 -4.459 -0.957 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.573 -6.465 -1.414 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.786 -5.058 -0.392 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.646 -4.581 -3.518 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -1.913 -3.127 -5.242 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.211 -4.502 -1.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.517 -2.108 -5.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.049 -3.259 -2.289 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.707 -2.082 -4.424 1.00 0.00 H new ATOM 221 N GLU A 17 -0.786 -7.274 0.727 1.00 0.00 N ATOM 222 CA GLU A 17 -0.639 -7.884 2.044 1.00 0.00 C ATOM 223 C GLU A 17 0.694 -7.495 2.678 1.00 0.00 C ATOM 224 O GLU A 17 0.803 -7.376 3.898 1.00 0.00 O ATOM 225 CB GLU A 17 -0.741 -9.407 1.939 1.00 0.00 C ATOM 226 CG GLU A 17 -0.727 -10.112 3.285 1.00 0.00 C ATOM 227 CD GLU A 17 -1.275 -11.523 3.211 1.00 0.00 C ATOM 228 OE1 GLU A 17 -0.989 -12.220 2.215 1.00 0.00 O ATOM 229 OE2 GLU A 17 -1.990 -11.932 4.150 1.00 0.00 O ATOM 0 H GLU A 17 -1.082 -7.919 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.445 -7.516 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.660 -9.666 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.088 -9.778 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.295 -10.143 3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.315 -9.535 3.999 1.00 0.00 H new ATOM 236 N LYS A 18 1.706 -7.298 1.840 1.00 0.00 N ATOM 237 CA LYS A 18 3.032 -6.922 2.315 1.00 0.00 C ATOM 238 C LYS A 18 3.063 -5.457 2.739 1.00 0.00 C ATOM 239 O LYS A 18 3.514 -5.129 3.835 1.00 0.00 O ATOM 240 CB LYS A 18 4.077 -7.172 1.226 1.00 0.00 C ATOM 241 CG LYS A 18 4.145 -8.618 0.768 1.00 0.00 C ATOM 242 CD LYS A 18 5.025 -9.452 1.683 1.00 0.00 C ATOM 243 CE LYS A 18 6.502 -9.231 1.390 1.00 0.00 C ATOM 244 NZ LYS A 18 7.342 -9.412 2.606 1.00 0.00 N ATOM 0 H LYS A 18 1.633 -7.393 0.827 1.00 0.00 H new ATOM 0 HA LYS A 18 3.268 -7.538 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.854 -6.538 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.056 -6.871 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.140 -9.040 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.533 -8.660 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.817 -9.196 2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.783 -10.508 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.827 -9.928 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.647 -8.226 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.341 -9.253 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.049 -8.730 3.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.223 -10.379 2.969 1.00 0.00 H new ATOM 258 N GLU A 19 2.579 -4.582 1.862 1.00 0.00 N ATOM 259 CA GLU A 19 2.552 -3.153 2.147 1.00 0.00 C ATOM 260 C GLU A 19 1.671 -2.856 3.358 1.00 0.00 C ATOM 261 O GLU A 19 1.897 -1.885 4.079 1.00 0.00 O ATOM 262 CB GLU A 19 2.043 -2.377 0.930 1.00 0.00 C ATOM 263 CG GLU A 19 3.007 -2.388 -0.245 1.00 0.00 C ATOM 264 CD GLU A 19 4.455 -2.501 0.190 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.887 -3.624 0.525 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.156 -1.468 0.195 1.00 0.00 O ATOM 0 H GLU A 19 2.201 -4.838 0.950 1.00 0.00 H new ATOM 0 HA GLU A 19 3.570 -2.834 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.090 -2.801 0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.851 -1.345 1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.763 -3.222 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.876 -1.475 -0.826 1.00 0.00 H new ATOM 273 N GLU A 20 0.666 -3.699 3.572 1.00 0.00 N ATOM 274 CA GLU A 20 -0.249 -3.527 4.694 1.00 0.00 C ATOM 275 C GLU A 20 0.515 -3.444 6.012 1.00 0.00 C ATOM 276 O GLU A 20 0.053 -2.829 6.973 1.00 0.00 O ATOM 277 CB GLU A 20 -1.252 -4.681 4.745 1.00 0.00 C ATOM 278 CG GLU A 20 -2.527 -4.414 3.961 1.00 0.00 C ATOM 279 CD GLU A 20 -3.579 -3.696 4.785 1.00 0.00 C ATOM 280 OE1 GLU A 20 -4.148 -4.328 5.699 1.00 0.00 O ATOM 281 OE2 GLU A 20 -3.832 -2.504 4.515 1.00 0.00 O ATOM 0 H GLU A 20 0.465 -4.507 2.983 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.790 -2.592 4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.777 -5.581 4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.510 -4.882 5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.290 -3.816 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.934 -5.360 3.603 1.00 0.00 H new ATOM 288 N ALA A 21 1.687 -4.069 6.050 1.00 0.00 N ATOM 289 CA ALA A 21 2.517 -4.066 7.248 1.00 0.00 C ATOM 290 C ALA A 21 3.295 -2.761 7.374 1.00 0.00 C ATOM 291 O ALA A 21 3.465 -2.230 8.472 1.00 0.00 O ATOM 292 CB ALA A 21 3.470 -5.252 7.234 1.00 0.00 C ATOM 0 H ALA A 21 2.083 -4.584 5.264 1.00 0.00 H new ATOM 0 HA ALA A 21 1.861 -4.152 8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.083 -5.236 8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.897 -6.179 7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.113 -5.192 6.356 1.00 0.00 H new ATOM 298 N LEU A 22 3.767 -2.248 6.243 1.00 0.00 N ATOM 299 CA LEU A 22 4.529 -1.003 6.226 1.00 0.00 C ATOM 300 C LEU A 22 3.638 0.185 6.575 1.00 0.00 C ATOM 301 O LEU A 22 4.128 1.271 6.883 1.00 0.00 O ATOM 302 CB LEU A 22 5.166 -0.791 4.852 1.00 0.00 C ATOM 303 CG LEU A 22 5.960 -1.972 4.291 1.00 0.00 C ATOM 304 CD1 LEU A 22 6.078 -1.864 2.778 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.338 -2.041 4.932 1.00 0.00 C ATOM 0 H LEU A 22 3.636 -2.674 5.326 1.00 0.00 H new ATOM 0 HA LEU A 22 5.316 -1.077 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.377 -0.540 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.829 0.072 4.910 1.00 0.00 H new ATOM 0 HG LEU A 22 5.425 -2.891 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.646 -2.712 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.082 -1.864 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.591 -0.938 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.889 -2.887 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.882 -1.119 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.232 -2.166 6.010 1.00 0.00 H new ATOM 317 N GLY A 23 2.327 -0.030 6.527 1.00 0.00 N ATOM 318 CA GLY A 23 1.389 1.031 6.842 1.00 0.00 C ATOM 319 C GLY A 23 1.645 2.290 6.037 1.00 0.00 C ATOM 320 O GLY A 23 1.514 2.288 4.813 1.00 0.00 O ATOM 0 H GLY A 23 1.898 -0.920 6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.374 0.682 6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.452 1.264 7.905 1.00 0.00 H new ATOM 324 N GLU A 24 2.011 3.367 6.725 1.00 0.00 N ATOM 325 CA GLU A 24 2.283 4.638 6.065 1.00 0.00 C ATOM 326 C GLU A 24 3.423 4.496 5.061 1.00 0.00 C ATOM 327 O GLU A 24 3.605 5.345 4.188 1.00 0.00 O ATOM 328 CB GLU A 24 2.631 5.711 7.099 1.00 0.00 C ATOM 329 CG GLU A 24 1.511 5.989 8.088 1.00 0.00 C ATOM 330 CD GLU A 24 1.984 6.762 9.303 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.545 7.863 9.124 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.793 6.267 10.433 1.00 0.00 O ATOM 0 H GLU A 24 2.126 3.384 7.738 1.00 0.00 H new ATOM 0 HA GLU A 24 1.383 4.939 5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.520 5.400 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.884 6.636 6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.722 6.551 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.074 5.044 8.411 1.00 0.00 H new ATOM 339 N MET A 25 4.188 3.417 5.191 1.00 0.00 N ATOM 340 CA MET A 25 5.310 3.164 4.295 1.00 0.00 C ATOM 341 C MET A 25 4.861 2.369 3.073 1.00 0.00 C ATOM 342 O MET A 25 5.652 2.105 2.167 1.00 0.00 O ATOM 343 CB MET A 25 6.418 2.407 5.031 1.00 0.00 C ATOM 344 CG MET A 25 7.473 3.316 5.640 1.00 0.00 C ATOM 345 SD MET A 25 8.237 4.406 4.424 1.00 0.00 S ATOM 346 CE MET A 25 8.846 3.213 3.235 1.00 0.00 C ATOM 0 H MET A 25 4.051 2.704 5.908 1.00 0.00 H new ATOM 0 HA MET A 25 5.698 4.126 3.959 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.971 1.802 5.820 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.900 1.719 4.337 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.018 3.918 6.427 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.244 2.706 6.111 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.709 3.627 2.714 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.139 2.300 3.753 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.061 2.985 2.514 1.00 0.00 H new ATOM 356 N ALA A 26 3.588 1.989 3.055 1.00 0.00 N ATOM 357 CA ALA A 26 3.034 1.226 1.943 1.00 0.00 C ATOM 358 C ALA A 26 3.372 1.878 0.607 1.00 0.00 C ATOM 359 O ALA A 26 3.076 3.053 0.385 1.00 0.00 O ATOM 360 CB ALA A 26 1.526 1.086 2.098 1.00 0.00 C ATOM 0 H ALA A 26 2.921 2.197 3.798 1.00 0.00 H new ATOM 0 HA ALA A 26 3.483 0.233 1.957 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.126 0.514 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.303 0.568 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.068 2.075 2.113 1.00 0.00 H new ATOM 366 N THR A 27 3.995 1.109 -0.281 1.00 0.00 N ATOM 367 CA THR A 27 4.375 1.613 -1.594 1.00 0.00 C ATOM 368 C THR A 27 3.198 1.567 -2.562 1.00 0.00 C ATOM 369 O THR A 27 3.378 1.636 -3.778 1.00 0.00 O ATOM 370 CB THR A 27 5.545 0.805 -2.188 1.00 0.00 C ATOM 371 OG1 THR A 27 5.149 -0.556 -2.389 1.00 0.00 O ATOM 372 CG2 THR A 27 6.758 0.856 -1.272 1.00 0.00 C ATOM 0 H THR A 27 4.247 0.135 -0.114 1.00 0.00 H new ATOM 0 HA THR A 27 4.689 2.648 -1.457 1.00 0.00 H new ATOM 0 HB THR A 27 5.814 1.249 -3.146 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.248 -1.053 -1.550 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.571 0.279 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.075 1.891 -1.146 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.498 0.435 -0.301 1.00 0.00 H new ATOM 380 N VAL A 28 1.992 1.453 -2.015 1.00 0.00 N ATOM 381 CA VAL A 28 0.784 1.400 -2.831 1.00 0.00 C ATOM 382 C VAL A 28 -0.122 2.593 -2.548 1.00 0.00 C ATOM 383 O VAL A 28 -0.055 3.197 -1.478 1.00 0.00 O ATOM 384 CB VAL A 28 -0.004 0.101 -2.583 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.737 -0.328 -3.845 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.925 -1.001 -2.096 1.00 0.00 C ATOM 0 H VAL A 28 1.825 1.396 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 28 1.104 1.429 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.746 0.289 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.288 -1.248 -3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.433 0.455 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.016 -0.499 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.351 -1.912 -1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.691 -1.190 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.399 -0.692 -1.165 1.00 0.00 H new ATOM 396 N ALA A 29 -0.969 2.928 -3.516 1.00 0.00 N ATOM 397 CA ALA A 29 -1.891 4.047 -3.371 1.00 0.00 C ATOM 398 C ALA A 29 -3.011 3.713 -2.391 1.00 0.00 C ATOM 399 O ALA A 29 -3.206 4.386 -1.379 1.00 0.00 O ATOM 400 CB ALA A 29 -2.469 4.435 -4.724 1.00 0.00 C ATOM 0 H ALA A 29 -1.035 2.440 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.334 4.894 -2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.156 5.272 -4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.661 4.725 -5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.005 3.586 -5.148 1.00 0.00 H new ATOM 406 N PRO A 30 -3.767 2.648 -2.697 1.00 0.00 N ATOM 407 CA PRO A 30 -4.881 2.200 -1.856 1.00 0.00 C ATOM 408 C PRO A 30 -4.407 1.606 -0.534 1.00 0.00 C ATOM 409 O PRO A 30 -4.875 1.996 0.536 1.00 0.00 O ATOM 410 CB PRO A 30 -5.561 1.127 -2.711 1.00 0.00 C ATOM 411 CG PRO A 30 -4.487 0.622 -3.611 1.00 0.00 C ATOM 412 CD PRO A 30 -3.592 1.798 -3.888 1.00 0.00 C ATOM 0 HA PRO A 30 -5.539 3.023 -1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.968 0.327 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.392 1.543 -3.281 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.932 -0.189 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.907 0.225 -4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.554 1.492 -4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.884 2.319 -4.800 1.00 0.00 H new ATOM 420 N VAL A 31 -3.475 0.661 -0.615 1.00 0.00 N ATOM 421 CA VAL A 31 -2.937 0.015 0.576 1.00 0.00 C ATOM 422 C VAL A 31 -2.354 1.041 1.542 1.00 0.00 C ATOM 423 O VAL A 31 -2.144 0.751 2.720 1.00 0.00 O ATOM 424 CB VAL A 31 -1.846 -1.010 0.214 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.590 -1.952 1.380 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.239 -1.787 -1.034 1.00 0.00 C ATOM 0 H VAL A 31 -3.077 0.326 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.767 -0.503 1.057 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.922 -0.472 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.816 -2.669 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.262 -1.378 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.508 -2.485 1.625 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.457 -2.507 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.175 -2.315 -0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.367 -1.096 -1.868 1.00 0.00 H new ATOM 436 N LEU A 32 -2.095 2.241 1.036 1.00 0.00 N ATOM 437 CA LEU A 32 -1.536 3.312 1.853 1.00 0.00 C ATOM 438 C LEU A 32 -2.644 4.153 2.480 1.00 0.00 C ATOM 439 O LEU A 32 -2.618 4.440 3.677 1.00 0.00 O ATOM 440 CB LEU A 32 -0.621 4.201 1.009 1.00 0.00 C ATOM 441 CG LEU A 32 -0.280 5.568 1.603 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.437 5.408 2.934 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.570 6.374 0.631 1.00 0.00 C ATOM 0 H LEU A 32 -2.263 2.497 0.063 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.952 2.858 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.310 3.663 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.093 4.356 0.039 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.210 6.109 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.672 6.391 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.206 4.870 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.360 4.847 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.803 7.344 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.496 5.837 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.020 6.519 -0.299 1.00 0.00 H new ATOM 455 N TYR A 33 -3.617 4.543 1.664 1.00 0.00 N ATOM 456 CA TYR A 33 -4.734 5.351 2.139 1.00 0.00 C ATOM 457 C TYR A 33 -5.386 4.715 3.362 1.00 0.00 C ATOM 458 O TYR A 33 -5.486 5.335 4.422 1.00 0.00 O ATOM 459 CB TYR A 33 -5.771 5.527 1.028 1.00 0.00 C ATOM 460 CG TYR A 33 -7.115 6.010 1.525 1.00 0.00 C ATOM 461 CD1 TYR A 33 -8.057 5.117 2.019 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.441 7.361 1.502 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.286 5.554 2.474 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.667 7.807 1.956 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.587 6.900 2.440 1.00 0.00 C ATOM 466 OH TYR A 33 -10.809 7.339 2.894 1.00 0.00 O ATOM 0 H TYR A 33 -3.655 4.313 0.671 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.346 6.329 2.424 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.388 6.236 0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.904 4.576 0.513 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.825 4.063 2.048 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.724 8.074 1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.007 4.846 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.904 8.860 1.932 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.861 8.313 2.802 1.00 0.00 H new ATOM 476 N THR A 34 -5.828 3.470 3.209 1.00 0.00 N ATOM 477 CA THR A 34 -6.471 2.748 4.300 1.00 0.00 C ATOM 478 C THR A 34 -5.561 2.672 5.520 1.00 0.00 C ATOM 479 O THR A 34 -5.989 2.940 6.642 1.00 0.00 O ATOM 480 CB THR A 34 -6.861 1.320 3.874 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.783 0.711 3.156 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.111 1.336 3.007 1.00 0.00 C ATOM 0 H THR A 34 -5.752 2.941 2.340 1.00 0.00 H new ATOM 0 HA THR A 34 -7.374 3.302 4.558 1.00 0.00 H new ATOM 0 HB THR A 34 -7.070 0.741 4.773 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.891 -0.263 3.167 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.367 0.316 2.719 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.937 1.773 3.568 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.926 1.930 2.112 1.00 0.00 H new ATOM 490 N ASN A 35 -4.304 2.304 5.294 1.00 0.00 N ATOM 491 CA ASN A 35 -3.333 2.193 6.377 1.00 0.00 C ATOM 492 C ASN A 35 -3.390 3.417 7.285 1.00 0.00 C ATOM 493 O ASN A 35 -3.205 3.311 8.498 1.00 0.00 O ATOM 494 CB ASN A 35 -1.922 2.030 5.809 1.00 0.00 C ATOM 495 CG ASN A 35 -1.625 0.600 5.400 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.337 -0.328 5.785 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.569 0.416 4.617 1.00 0.00 N ATOM 0 H ASN A 35 -3.934 2.078 4.371 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.583 1.312 6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.803 2.684 4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.194 2.351 6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.319 -0.524 4.310 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.007 1.215 4.322 1.00 0.00 H new ATOM 504 N ILE A 36 -3.647 4.578 6.691 1.00 0.00 N ATOM 505 CA ILE A 36 -3.729 5.821 7.447 1.00 0.00 C ATOM 506 C ILE A 36 -5.160 6.098 7.896 1.00 0.00 C ATOM 507 O ILE A 36 -5.453 6.119 9.090 1.00 0.00 O ATOM 508 CB ILE A 36 -3.222 7.017 6.620 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.767 6.795 6.200 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.358 8.307 7.415 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.337 7.655 5.033 1.00 0.00 C ATOM 0 H ILE A 36 -3.802 4.683 5.688 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.093 5.700 8.324 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.832 7.102 5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.117 6.999 7.051 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.629 5.746 5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.995 9.143 6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.406 8.470 7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.770 8.234 8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.295 7.445 4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.963 7.434 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.442 8.707 5.298 1.00 0.00 H new ATOM 523 N ASN A 37 -6.047 6.308 6.929 1.00 0.00 N ATOM 524 CA ASN A 37 -7.449 6.582 7.224 1.00 0.00 C ATOM 525 C ASN A 37 -8.039 5.495 8.118 1.00 0.00 C ATOM 526 O ASN A 37 -8.632 5.785 9.157 1.00 0.00 O ATOM 527 CB ASN A 37 -8.254 6.685 5.927 1.00 0.00 C ATOM 528 CG ASN A 37 -8.152 8.058 5.291 1.00 0.00 C ATOM 529 OD1 ASN A 37 -9.100 8.842 5.325 1.00 0.00 O ATOM 530 ND2 ASN A 37 -6.998 8.354 4.705 1.00 0.00 N ATOM 0 H ASN A 37 -5.820 6.294 5.935 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.504 7.533 7.754 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.899 5.934 5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.300 6.460 6.133 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.871 9.262 4.259 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.239 7.673 4.701 1.00 0.00 H new ATOM 537 N PHE A 38 -7.872 4.243 7.706 1.00 0.00 N ATOM 538 CA PHE A 38 -8.389 3.112 8.468 1.00 0.00 C ATOM 539 C PHE A 38 -7.251 2.327 9.114 1.00 0.00 C ATOM 540 O PHE A 38 -6.770 1.328 8.578 1.00 0.00 O ATOM 541 CB PHE A 38 -9.209 2.192 7.563 1.00 0.00 C ATOM 542 CG PHE A 38 -10.417 2.857 6.967 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.309 3.612 5.810 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.660 2.729 7.565 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.418 4.225 5.260 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.773 3.340 7.019 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.652 4.090 5.866 1.00 0.00 C ATOM 0 H PHE A 38 -7.383 3.986 6.849 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.033 3.501 9.257 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.572 1.826 6.758 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.529 1.322 8.137 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.347 3.722 5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.760 2.145 8.468 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.320 4.809 4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.737 3.231 7.494 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.520 4.570 5.439 1.00 0.00 H new ATOM 557 N PRO A 39 -6.808 2.789 10.293 1.00 0.00 N ATOM 558 CA PRO A 39 -5.722 2.145 11.038 1.00 0.00 C ATOM 559 C PRO A 39 -6.134 0.793 11.611 1.00 0.00 C ATOM 560 O PRO A 39 -5.381 -0.177 11.538 1.00 0.00 O ATOM 561 CB PRO A 39 -5.429 3.138 12.166 1.00 0.00 C ATOM 562 CG PRO A 39 -6.704 3.887 12.352 1.00 0.00 C ATOM 563 CD PRO A 39 -7.335 3.974 10.989 1.00 0.00 C ATOM 0 HA PRO A 39 -4.861 1.934 10.403 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.135 2.623 13.081 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.611 3.808 11.901 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.360 3.372 13.054 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.517 4.880 12.760 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.423 3.954 11.048 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.060 4.896 10.477 1.00 0.00 H new ATOM 571 N ASN A 40 -7.333 0.738 12.181 1.00 0.00 N ATOM 572 CA ASN A 40 -7.844 -0.496 12.767 1.00 0.00 C ATOM 573 C ASN A 40 -8.489 -1.378 11.701 1.00 0.00 C ATOM 574 O ASN A 40 -9.194 -2.337 12.017 1.00 0.00 O ATOM 575 CB ASN A 40 -8.860 -0.180 13.866 1.00 0.00 C ATOM 576 CG ASN A 40 -8.438 0.998 14.723 1.00 0.00 C ATOM 577 OD1 ASN A 40 -8.804 2.141 14.449 1.00 0.00 O ATOM 578 ND2 ASN A 40 -7.663 0.723 15.766 1.00 0.00 N ATOM 0 H ASN A 40 -7.969 1.533 12.250 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.004 -1.038 13.202 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.828 0.033 13.412 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.991 -1.058 14.499 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.346 1.475 16.378 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.384 -0.240 15.955 1.00 0.00 H new ATOM 585 N LEU A 41 -8.243 -1.046 10.439 1.00 0.00 N ATOM 586 CA LEU A 41 -8.799 -1.808 9.325 1.00 0.00 C ATOM 587 C LEU A 41 -8.639 -3.307 9.558 1.00 0.00 C ATOM 588 O LEU A 41 -9.594 -4.072 9.425 1.00 0.00 O ATOM 589 CB LEU A 41 -8.115 -1.407 8.017 1.00 0.00 C ATOM 590 CG LEU A 41 -8.732 -1.973 6.737 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.794 -1.029 6.194 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.655 -2.225 5.692 1.00 0.00 C ATOM 0 H LEU A 41 -7.663 -0.255 10.161 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.863 -1.582 9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.117 -0.319 7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.072 -1.721 8.064 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.208 -2.924 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.222 -1.448 5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.580 -0.899 6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.342 -0.062 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.112 -2.628 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.150 -1.288 5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.930 -2.940 6.081 1.00 0.00 H new ATOM 604 N LYS A 42 -7.425 -3.720 9.907 1.00 0.00 N ATOM 605 CA LYS A 42 -7.139 -5.127 10.162 1.00 0.00 C ATOM 606 C LYS A 42 -8.189 -5.737 11.085 1.00 0.00 C ATOM 607 O LYS A 42 -8.613 -6.875 10.890 1.00 0.00 O ATOM 608 CB LYS A 42 -5.748 -5.282 10.781 1.00 0.00 C ATOM 609 CG LYS A 42 -5.487 -4.330 11.936 1.00 0.00 C ATOM 610 CD LYS A 42 -4.284 -4.765 12.756 1.00 0.00 C ATOM 611 CE LYS A 42 -3.946 -3.746 13.833 1.00 0.00 C ATOM 612 NZ LYS A 42 -3.017 -2.696 13.330 1.00 0.00 N ATOM 0 H LYS A 42 -6.623 -3.100 10.020 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.167 -5.656 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.628 -6.307 11.132 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.996 -5.119 10.009 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.321 -3.325 11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.368 -4.284 12.577 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.488 -5.731 13.218 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.425 -4.901 12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.863 -3.278 14.191 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.493 -4.254 14.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.811 -2.020 14.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.132 -3.139 13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.459 -2.194 12.534 1.00 0.00 H new ATOM 626 N GLU A 43 -8.605 -4.971 12.089 1.00 0.00 N ATOM 627 CA GLU A 43 -9.606 -5.437 13.041 1.00 0.00 C ATOM 628 C GLU A 43 -10.960 -5.620 12.361 1.00 0.00 C ATOM 629 O GLU A 43 -11.506 -6.722 12.329 1.00 0.00 O ATOM 630 CB GLU A 43 -9.735 -4.451 14.203 1.00 0.00 C ATOM 631 CG GLU A 43 -8.406 -4.084 14.841 1.00 0.00 C ATOM 632 CD GLU A 43 -8.573 -3.350 16.158 1.00 0.00 C ATOM 633 OE1 GLU A 43 -9.613 -3.551 16.820 1.00 0.00 O ATOM 634 OE2 GLU A 43 -7.665 -2.576 16.525 1.00 0.00 O ATOM 0 H GLU A 43 -8.264 -4.026 12.264 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.280 -6.402 13.428 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.220 -3.543 13.845 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.387 -4.882 14.963 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.824 -4.991 15.006 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.836 -3.461 14.152 1.00 0.00 H new ATOM 641 N GLU A 44 -11.496 -4.530 11.820 1.00 0.00 N ATOM 642 CA GLU A 44 -12.786 -4.569 11.143 1.00 0.00 C ATOM 643 C GLU A 44 -12.871 -5.770 10.204 1.00 0.00 C ATOM 644 O GLU A 44 -13.907 -6.429 10.114 1.00 0.00 O ATOM 645 CB GLU A 44 -13.014 -3.276 10.357 1.00 0.00 C ATOM 646 CG GLU A 44 -13.709 -2.190 11.160 1.00 0.00 C ATOM 647 CD GLU A 44 -13.982 -0.943 10.341 1.00 0.00 C ATOM 648 OE1 GLU A 44 -13.024 -0.394 9.758 1.00 0.00 O ATOM 649 OE2 GLU A 44 -15.155 -0.517 10.284 1.00 0.00 O ATOM 0 H GLU A 44 -11.056 -3.610 11.838 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.563 -4.666 11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.053 -2.899 10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.610 -3.499 9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.650 -2.578 11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.092 -1.928 12.020 1.00 0.00 H new ATOM 656 N PHE A 45 -11.775 -6.047 9.507 1.00 0.00 N ATOM 657 CA PHE A 45 -11.725 -7.166 8.574 1.00 0.00 C ATOM 658 C PHE A 45 -10.436 -7.964 8.749 1.00 0.00 C ATOM 659 O PHE A 45 -9.397 -7.647 8.169 1.00 0.00 O ATOM 660 CB PHE A 45 -11.835 -6.662 7.133 1.00 0.00 C ATOM 661 CG PHE A 45 -12.923 -5.647 6.934 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.698 -4.308 7.211 1.00 0.00 C ATOM 663 CD2 PHE A 45 -14.171 -6.031 6.471 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.697 -3.370 7.029 1.00 0.00 C ATOM 665 CE2 PHE A 45 -15.174 -5.098 6.287 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.937 -3.766 6.567 1.00 0.00 C ATOM 0 H PHE A 45 -10.909 -5.512 9.570 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.569 -7.822 8.787 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.882 -6.224 6.836 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.015 -7.510 6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.730 -3.993 7.573 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.362 -7.071 6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.508 -2.329 7.248 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -16.142 -5.410 5.925 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.720 -3.036 6.425 1.00 0.00 H new ATOM 676 N PRO A 46 -10.503 -9.023 9.569 1.00 0.00 N ATOM 677 CA PRO A 46 -9.351 -9.888 9.841 1.00 0.00 C ATOM 678 C PRO A 46 -8.957 -10.726 8.629 1.00 0.00 C ATOM 679 O PRO A 46 -7.785 -10.787 8.259 1.00 0.00 O ATOM 680 CB PRO A 46 -9.843 -10.787 10.977 1.00 0.00 C ATOM 681 CG PRO A 46 -11.325 -10.811 10.827 1.00 0.00 C ATOM 682 CD PRO A 46 -11.708 -9.458 10.294 1.00 0.00 C ATOM 0 HA PRO A 46 -8.459 -9.313 10.091 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.421 -11.789 10.900 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.550 -10.392 11.950 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.636 -11.602 10.144 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.811 -11.006 11.783 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.574 -9.516 9.635 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.965 -8.768 11.097 1.00 0.00 H new ATOM 690 N ASP A 47 -9.944 -11.371 8.016 1.00 0.00 N ATOM 691 CA ASP A 47 -9.701 -12.205 6.845 1.00 0.00 C ATOM 692 C ASP A 47 -9.276 -11.356 5.651 1.00 0.00 C ATOM 693 O ASP A 47 -10.076 -10.598 5.101 1.00 0.00 O ATOM 694 CB ASP A 47 -10.954 -13.009 6.496 1.00 0.00 C ATOM 695 CG ASP A 47 -11.528 -13.737 7.695 1.00 0.00 C ATOM 696 OD1 ASP A 47 -10.756 -14.426 8.395 1.00 0.00 O ATOM 697 OD2 ASP A 47 -12.748 -13.621 7.933 1.00 0.00 O ATOM 0 H ASP A 47 -10.920 -11.332 8.311 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.891 -12.895 7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.709 -12.339 6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.713 -13.732 5.717 1.00 0.00 H new ATOM 702 N TRP A 48 -8.015 -11.487 5.257 1.00 0.00 N ATOM 703 CA TRP A 48 -7.484 -10.730 4.129 1.00 0.00 C ATOM 704 C TRP A 48 -8.466 -10.732 2.962 1.00 0.00 C ATOM 705 O TRP A 48 -8.968 -9.683 2.557 1.00 0.00 O ATOM 706 CB TRP A 48 -6.142 -11.313 3.683 1.00 0.00 C ATOM 707 CG TRP A 48 -5.585 -10.652 2.459 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.247 -11.258 1.283 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.300 -9.259 2.291 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.769 -10.326 0.394 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.792 -9.092 0.988 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.426 -8.137 3.114 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.410 -7.848 0.492 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -5.046 -6.903 2.620 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.544 -6.767 1.319 1.00 0.00 C ATOM 0 H TRP A 48 -7.341 -12.110 5.702 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.335 -9.700 4.453 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.424 -11.218 4.497 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.264 -12.379 3.488 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.342 -12.315 1.081 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.449 -10.521 -0.555 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.813 -8.232 4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.022 -7.741 -0.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.138 -6.029 3.248 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.257 -5.789 0.962 1.00 0.00 H new ATOM 726 N THR A 49 -8.737 -11.918 2.425 1.00 0.00 N ATOM 727 CA THR A 49 -9.659 -12.056 1.304 1.00 0.00 C ATOM 728 C THR A 49 -10.870 -11.147 1.473 1.00 0.00 C ATOM 729 O THR A 49 -11.512 -10.761 0.495 1.00 0.00 O ATOM 730 CB THR A 49 -10.140 -13.511 1.148 1.00 0.00 C ATOM 731 OG1 THR A 49 -9.104 -14.415 1.548 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.543 -13.797 -0.290 1.00 0.00 C ATOM 0 H THR A 49 -8.331 -12.796 2.748 1.00 0.00 H new ATOM 0 HA THR A 49 -9.112 -11.764 0.407 1.00 0.00 H new ATOM 0 HB THR A 49 -11.012 -13.653 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.418 -15.338 1.448 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.879 -14.830 -0.375 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.352 -13.127 -0.581 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.687 -13.639 -0.946 1.00 0.00 H new ATOM 740 N THR A 50 -11.180 -10.806 2.720 1.00 0.00 N ATOM 741 CA THR A 50 -12.315 -9.942 3.017 1.00 0.00 C ATOM 742 C THR A 50 -11.871 -8.496 3.207 1.00 0.00 C ATOM 743 O THR A 50 -12.569 -7.565 2.805 1.00 0.00 O ATOM 744 CB THR A 50 -13.060 -10.409 4.282 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.515 -11.756 4.114 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.245 -9.501 4.578 1.00 0.00 C ATOM 0 H THR A 50 -10.660 -11.116 3.541 1.00 0.00 H new ATOM 0 HA THR A 50 -12.990 -10.002 2.163 1.00 0.00 H new ATOM 0 HB THR A 50 -12.368 -10.363 5.123 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.986 -12.046 4.923 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.756 -9.850 5.475 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.892 -8.482 4.735 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.937 -9.520 3.736 1.00 0.00 H new ATOM 754 N ARG A 51 -10.707 -8.315 3.821 1.00 0.00 N ATOM 755 CA ARG A 51 -10.170 -6.982 4.064 1.00 0.00 C ATOM 756 C ARG A 51 -9.773 -6.308 2.753 1.00 0.00 C ATOM 757 O ARG A 51 -10.171 -5.176 2.480 1.00 0.00 O ATOM 758 CB ARG A 51 -8.961 -7.058 4.998 1.00 0.00 C ATOM 759 CG ARG A 51 -8.136 -5.781 5.032 1.00 0.00 C ATOM 760 CD ARG A 51 -7.370 -5.647 6.339 1.00 0.00 C ATOM 761 NE ARG A 51 -6.048 -6.263 6.264 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.827 -7.556 6.470 1.00 0.00 C ATOM 763 NH1 ARG A 51 -6.835 -8.366 6.762 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.595 -8.041 6.384 1.00 0.00 N ATOM 0 H ARG A 51 -10.117 -9.075 4.160 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.949 -6.385 4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.306 -7.285 6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.323 -7.885 4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.436 -5.777 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.791 -4.920 4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.264 -4.592 6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.941 -6.111 7.143 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.251 -5.667 6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.783 -7.996 6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.662 -9.359 6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.817 -7.421 6.160 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.426 -9.034 6.542 1.00 0.00 H new ATOM 778 N VAL A 52 -8.985 -7.013 1.947 1.00 0.00 N ATOM 779 CA VAL A 52 -8.534 -6.484 0.665 1.00 0.00 C ATOM 780 C VAL A 52 -9.677 -5.806 -0.082 1.00 0.00 C ATOM 781 O VAL A 52 -9.500 -4.743 -0.678 1.00 0.00 O ATOM 782 CB VAL A 52 -7.942 -7.594 -0.223 1.00 0.00 C ATOM 783 CG1 VAL A 52 -9.008 -8.620 -0.578 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.325 -6.998 -1.479 1.00 0.00 C ATOM 0 H VAL A 52 -8.646 -7.951 2.159 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.758 -5.749 0.881 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.155 -8.102 0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.571 -9.396 -1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.399 -9.069 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.819 -8.131 -1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.911 -7.796 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.090 -6.464 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.530 -6.306 -1.201 1.00 0.00 H new ATOM 794 N LYS A 53 -10.851 -6.427 -0.046 1.00 0.00 N ATOM 795 CA LYS A 53 -12.026 -5.883 -0.718 1.00 0.00 C ATOM 796 C LYS A 53 -12.378 -4.505 -0.168 1.00 0.00 C ATOM 797 O LYS A 53 -12.781 -3.614 -0.915 1.00 0.00 O ATOM 798 CB LYS A 53 -13.217 -6.830 -0.552 1.00 0.00 C ATOM 799 CG LYS A 53 -12.951 -8.237 -1.058 1.00 0.00 C ATOM 800 CD LYS A 53 -14.081 -9.184 -0.692 1.00 0.00 C ATOM 801 CE LYS A 53 -14.118 -10.392 -1.617 1.00 0.00 C ATOM 802 NZ LYS A 53 -14.621 -10.036 -2.973 1.00 0.00 N ATOM 0 H LYS A 53 -11.015 -7.308 0.442 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.794 -5.783 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.488 -6.878 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.075 -6.418 -1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.827 -8.218 -2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.016 -8.605 -0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.958 -9.517 0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.032 -8.655 -0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.118 -10.816 -1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.756 -11.162 -1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.872 -10.903 -3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.462 -9.431 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.881 -9.525 -3.495 1.00 0.00 H new ATOM 816 N GLN A 54 -12.222 -4.337 1.141 1.00 0.00 N ATOM 817 CA GLN A 54 -12.523 -3.066 1.789 1.00 0.00 C ATOM 818 C GLN A 54 -11.556 -1.979 1.332 1.00 0.00 C ATOM 819 O GLN A 54 -11.913 -0.802 1.276 1.00 0.00 O ATOM 820 CB GLN A 54 -12.458 -3.217 3.310 1.00 0.00 C ATOM 821 CG GLN A 54 -13.531 -4.132 3.877 1.00 0.00 C ATOM 822 CD GLN A 54 -14.920 -3.535 3.777 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.848 -4.172 3.279 1.00 0.00 O ATOM 824 NE2 GLN A 54 -15.071 -2.304 4.252 1.00 0.00 N ATOM 0 H GLN A 54 -11.889 -5.065 1.773 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.533 -2.771 1.503 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.478 -3.605 3.587 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.552 -2.233 3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.510 -5.083 3.346 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.306 -4.345 4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.274 -1.812 4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.984 -1.850 4.212 1.00 0.00 H new ATOM 833 N ILE A 55 -10.332 -2.382 1.007 1.00 0.00 N ATOM 834 CA ILE A 55 -9.315 -1.442 0.554 1.00 0.00 C ATOM 835 C ILE A 55 -9.654 -0.887 -0.825 1.00 0.00 C ATOM 836 O ILE A 55 -9.408 0.284 -1.112 1.00 0.00 O ATOM 837 CB ILE A 55 -7.923 -2.100 0.503 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.524 -2.607 1.890 1.00 0.00 C ATOM 839 CG2 ILE A 55 -6.891 -1.115 -0.025 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.272 -3.457 1.885 1.00 0.00 C ATOM 0 H ILE A 55 -10.021 -3.353 1.049 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.296 -0.626 1.276 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.964 -2.952 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.371 -1.753 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.347 -3.188 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.913 -1.594 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.171 -0.798 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.849 -0.246 0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.049 -3.782 2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.427 -4.330 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.437 -2.872 1.499 1.00 0.00 H new ATOM 852 N ALA A 56 -10.221 -1.737 -1.676 1.00 0.00 N ATOM 853 CA ALA A 56 -10.597 -1.330 -3.024 1.00 0.00 C ATOM 854 C ALA A 56 -11.805 -0.400 -3.000 1.00 0.00 C ATOM 855 O ALA A 56 -11.784 0.678 -3.593 1.00 0.00 O ATOM 856 CB ALA A 56 -10.887 -2.553 -3.882 1.00 0.00 C ATOM 0 H ALA A 56 -10.430 -2.711 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.760 -0.784 -3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.167 -2.235 -4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.997 -3.180 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.706 -3.121 -3.440 1.00 0.00 H new ATOM 862 N LYS A 57 -12.859 -0.825 -2.311 1.00 0.00 N ATOM 863 CA LYS A 57 -14.077 -0.030 -2.209 1.00 0.00 C ATOM 864 C LYS A 57 -13.786 1.336 -1.595 1.00 0.00 C ATOM 865 O LYS A 57 -14.193 2.368 -2.131 1.00 0.00 O ATOM 866 CB LYS A 57 -15.122 -0.766 -1.367 1.00 0.00 C ATOM 867 CG LYS A 57 -14.878 -0.667 0.129 1.00 0.00 C ATOM 868 CD LYS A 57 -15.903 -1.466 0.916 1.00 0.00 C ATOM 869 CE LYS A 57 -17.264 -0.787 0.909 1.00 0.00 C ATOM 870 NZ LYS A 57 -17.419 0.156 2.050 1.00 0.00 N ATOM 0 H LYS A 57 -12.894 -1.716 -1.815 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.468 0.119 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.109 -0.362 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.134 -1.817 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.877 -1.031 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.916 0.378 0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.992 -2.465 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.561 -1.587 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.396 -0.247 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.047 -1.543 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.001 0.966 1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.882 -0.332 2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.483 0.494 2.351 1.00 0.00 H new ATOM 884 N LEU A 58 -13.079 1.336 -0.471 1.00 0.00 N ATOM 885 CA LEU A 58 -12.731 2.576 0.215 1.00 0.00 C ATOM 886 C LEU A 58 -11.812 3.435 -0.647 1.00 0.00 C ATOM 887 O LEU A 58 -11.823 4.663 -0.551 1.00 0.00 O ATOM 888 CB LEU A 58 -12.055 2.270 1.552 1.00 0.00 C ATOM 889 CG LEU A 58 -12.896 1.494 2.567 1.00 0.00 C ATOM 890 CD1 LEU A 58 -12.008 0.886 3.642 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.948 2.400 3.191 1.00 0.00 C ATOM 0 H LEU A 58 -12.735 0.491 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.651 3.131 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.145 1.703 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.751 3.213 2.007 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.406 0.684 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.624 0.338 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.293 0.205 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.470 1.679 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.537 1.832 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.458 3.231 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.603 2.788 2.411 1.00 0.00 H new ATOM 903 N TRP A 59 -11.020 2.783 -1.491 1.00 0.00 N ATOM 904 CA TRP A 59 -10.097 3.489 -2.372 1.00 0.00 C ATOM 905 C TRP A 59 -10.854 4.295 -3.422 1.00 0.00 C ATOM 906 O TRP A 59 -10.678 5.508 -3.532 1.00 0.00 O ATOM 907 CB TRP A 59 -9.154 2.497 -3.055 1.00 0.00 C ATOM 908 CG TRP A 59 -8.225 3.142 -4.040 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.164 2.906 -5.384 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.224 4.125 -3.756 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.185 3.685 -5.953 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.595 4.443 -4.976 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.800 4.771 -2.592 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.565 5.375 -5.061 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.778 5.696 -2.678 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.169 5.992 -3.905 1.00 0.00 C ATOM 0 H TRP A 59 -10.999 1.767 -1.584 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.511 4.179 -1.765 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.566 1.983 -2.295 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.745 1.738 -3.567 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.792 2.210 -5.920 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.938 3.697 -6.942 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.263 4.551 -1.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.095 5.603 -6.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.442 6.200 -1.784 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.372 6.720 -3.939 1.00 0.00 H new ATOM 927 N ARG A 60 -11.696 3.613 -4.191 1.00 0.00 N ATOM 928 CA ARG A 60 -12.480 4.266 -5.233 1.00 0.00 C ATOM 929 C ARG A 60 -13.279 5.433 -4.660 1.00 0.00 C ATOM 930 O ARG A 60 -13.228 6.549 -5.178 1.00 0.00 O ATOM 931 CB ARG A 60 -13.425 3.263 -5.895 1.00 0.00 C ATOM 932 CG ARG A 60 -12.710 2.087 -6.541 1.00 0.00 C ATOM 933 CD ARG A 60 -13.658 0.923 -6.782 1.00 0.00 C ATOM 934 NE ARG A 60 -13.121 -0.029 -7.751 1.00 0.00 N ATOM 935 CZ ARG A 60 -13.718 -1.172 -8.067 1.00 0.00 C ATOM 936 NH1 ARG A 60 -14.867 -1.505 -7.494 1.00 0.00 N ATOM 937 NH2 ARG A 60 -13.167 -1.986 -8.958 1.00 0.00 N ATOM 0 H ARG A 60 -11.853 2.608 -4.112 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.790 4.653 -5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.123 2.887 -5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.016 3.778 -6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.271 2.402 -7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.889 1.763 -5.901 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.850 0.411 -5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.615 1.303 -7.139 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.239 0.197 -8.210 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.294 -0.882 -6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.323 -2.384 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.284 -1.734 -9.401 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.627 -2.864 -9.200 1.00 0.00 H new ATOM 951 N LYS A 61 -14.018 5.168 -3.589 1.00 0.00 N ATOM 952 CA LYS A 61 -14.829 6.195 -2.944 1.00 0.00 C ATOM 953 C LYS A 61 -14.096 7.532 -2.924 1.00 0.00 C ATOM 954 O LYS A 61 -14.687 8.578 -3.190 1.00 0.00 O ATOM 955 CB LYS A 61 -15.183 5.773 -1.516 1.00 0.00 C ATOM 956 CG LYS A 61 -16.435 4.919 -1.427 1.00 0.00 C ATOM 957 CD LYS A 61 -17.016 4.926 -0.023 1.00 0.00 C ATOM 958 CE LYS A 61 -16.185 4.079 0.928 1.00 0.00 C ATOM 959 NZ LYS A 61 -16.317 2.625 0.636 1.00 0.00 N ATOM 0 H LYS A 61 -14.073 4.250 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.748 6.312 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -14.345 5.220 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.318 6.666 -0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -17.180 5.289 -2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -16.200 3.896 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.064 5.950 0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.038 4.549 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.137 4.371 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.497 4.273 1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.877 2.076 1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.324 2.375 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.842 2.407 -0.263 1.00 0.00 H new ATOM 973 N ALA A 62 -12.806 7.491 -2.607 1.00 0.00 N ATOM 974 CA ALA A 62 -11.993 8.699 -2.555 1.00 0.00 C ATOM 975 C ALA A 62 -11.839 9.317 -3.941 1.00 0.00 C ATOM 976 O ALA A 62 -11.324 8.682 -4.860 1.00 0.00 O ATOM 977 CB ALA A 62 -10.628 8.392 -1.957 1.00 0.00 C ATOM 0 H ALA A 62 -12.302 6.633 -2.382 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.502 9.422 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.032 9.304 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.753 8.004 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.121 7.648 -2.571 1.00 0.00 H new ATOM 983 N SER A 63 -12.290 10.559 -4.083 1.00 0.00 N ATOM 984 CA SER A 63 -12.206 11.261 -5.358 1.00 0.00 C ATOM 985 C SER A 63 -10.764 11.324 -5.851 1.00 0.00 C ATOM 986 O SER A 63 -9.823 11.251 -5.060 1.00 0.00 O ATOM 987 CB SER A 63 -12.773 12.676 -5.224 1.00 0.00 C ATOM 988 OG SER A 63 -14.190 12.658 -5.200 1.00 0.00 O ATOM 0 H SER A 63 -12.717 11.100 -3.331 1.00 0.00 H new ATOM 0 HA SER A 63 -12.797 10.708 -6.088 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.397 13.137 -4.311 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.428 13.290 -6.056 1.00 0.00 H new ATOM 0 HG SER A 63 -14.527 13.574 -5.112 1.00 0.00 H new ATOM 994 N SER A 64 -10.598 11.459 -7.162 1.00 0.00 N ATOM 995 CA SER A 64 -9.270 11.528 -7.762 1.00 0.00 C ATOM 996 C SER A 64 -8.390 12.529 -7.020 1.00 0.00 C ATOM 997 O SER A 64 -7.225 12.255 -6.736 1.00 0.00 O ATOM 998 CB SER A 64 -9.374 11.917 -9.238 1.00 0.00 C ATOM 999 OG SER A 64 -10.500 11.311 -9.848 1.00 0.00 O ATOM 0 H SER A 64 -11.366 11.523 -7.830 1.00 0.00 H new ATOM 0 HA SER A 64 -8.812 10.542 -7.685 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.448 13.001 -9.327 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.467 11.615 -9.761 1.00 0.00 H new ATOM 0 HG SER A 64 -10.544 11.577 -10.790 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.958 13.690 -6.711 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.225 14.734 -6.003 1.00 0.00 C ATOM 1007 C GLN A 65 -7.731 14.230 -4.651 1.00 0.00 C ATOM 1008 O GLN A 65 -6.748 14.737 -4.111 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.110 15.966 -5.809 1.00 0.00 C ATOM 1010 CG GLN A 65 -9.360 16.744 -7.091 1.00 0.00 C ATOM 1011 CD GLN A 65 -10.343 16.049 -8.013 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -11.098 15.174 -7.589 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -10.338 16.436 -9.283 1.00 0.00 N ATOM 0 H GLN A 65 -9.922 13.932 -6.939 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.360 15.009 -6.606 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.067 15.653 -5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.644 16.627 -5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.740 17.735 -6.842 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.415 16.887 -7.615 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.695 17.165 -9.591 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.977 16.004 -9.950 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.420 13.230 -4.109 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.051 12.660 -2.819 1.00 0.00 C ATOM 1024 C GLU A 66 -6.887 11.685 -2.968 1.00 0.00 C ATOM 1025 O GLU A 66 -6.043 11.568 -2.080 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.250 11.947 -2.190 1.00 0.00 C ATOM 1027 CG GLU A 66 -8.954 11.347 -0.826 1.00 0.00 C ATOM 1028 CD GLU A 66 -8.424 12.370 0.159 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -7.234 12.734 0.052 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -9.197 12.807 1.037 1.00 0.00 O ATOM 0 H GLU A 66 -9.236 12.799 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.738 13.475 -2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.074 12.654 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.584 11.156 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.863 10.899 -0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.226 10.544 -0.937 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.849 10.986 -4.098 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.791 10.020 -4.364 1.00 0.00 C ATOM 1039 C ARG A 67 -4.515 10.722 -4.818 1.00 0.00 C ATOM 1040 O ARG A 67 -3.429 10.143 -4.783 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.241 9.018 -5.429 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.677 8.550 -5.257 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.154 7.760 -6.465 1.00 0.00 C ATOM 1044 NE ARG A 67 -7.116 6.874 -6.985 1.00 0.00 N ATOM 1045 CZ ARG A 67 -6.241 7.234 -7.917 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -6.279 8.457 -8.429 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -5.325 6.371 -8.338 1.00 0.00 N ATOM 0 H ARG A 67 -7.539 11.071 -4.844 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.581 9.485 -3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.132 9.473 -6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.580 8.152 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.755 7.932 -4.363 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.326 9.412 -5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.029 7.171 -6.190 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.467 8.450 -7.248 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.060 5.926 -6.612 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.981 9.123 -8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.606 8.731 -9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.292 5.430 -7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.654 6.649 -9.054 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.654 11.973 -5.245 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.513 12.755 -5.705 1.00 0.00 C ATOM 1063 C ALA A 68 -2.277 12.473 -4.858 1.00 0.00 C ATOM 1064 O ALA A 68 -1.237 12.043 -5.358 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.845 14.239 -5.678 1.00 0.00 C ATOM 0 H ALA A 68 -5.546 12.467 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.293 12.461 -6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.984 14.811 -6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.696 14.433 -6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.093 14.538 -4.660 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.390 12.719 -3.544 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.290 12.498 -2.600 1.00 0.00 C ATOM 1073 C PRO A 69 -0.990 11.018 -2.396 1.00 0.00 C ATOM 1074 O PRO A 69 0.156 10.584 -2.517 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.807 13.123 -1.301 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.291 13.064 -1.417 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.600 13.232 -2.879 1.00 0.00 C ATOM 0 HA PRO A 69 -0.355 12.931 -2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.456 12.571 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.459 14.150 -1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.674 12.114 -1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.760 13.851 -0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.487 12.670 -3.169 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.787 14.275 -3.133 1.00 0.00 H new ATOM 1085 N TYR A 70 -2.026 10.246 -2.086 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.872 8.813 -1.863 1.00 0.00 C ATOM 1087 C TYR A 70 -1.306 8.127 -3.102 1.00 0.00 C ATOM 1088 O TYR A 70 -0.803 7.005 -3.030 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.217 8.187 -1.489 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.894 8.861 -0.318 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.314 8.850 0.945 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -5.114 9.508 -0.473 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.930 9.464 2.019 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.735 10.126 0.595 1.00 0.00 C ATOM 1095 CZ TYR A 70 -5.140 10.101 1.839 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.757 10.714 2.905 1.00 0.00 O ATOM 0 H TYR A 70 -2.981 10.588 -1.983 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.171 8.672 -1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.880 8.227 -2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.065 7.134 -1.253 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.366 8.353 1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.585 9.528 -1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.466 9.445 2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.682 10.626 0.457 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.600 11.116 2.608 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.390 8.810 -4.240 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.885 8.268 -5.496 1.00 0.00 C ATOM 1108 C VAL A 71 0.588 8.612 -5.689 1.00 0.00 C ATOM 1109 O VAL A 71 1.355 7.815 -6.229 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.687 8.799 -6.699 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.047 8.354 -8.005 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.134 8.337 -6.619 1.00 0.00 C ATOM 0 H VAL A 71 -1.803 9.739 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.999 7.185 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.676 9.889 -6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.627 8.738 -8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.029 8.739 -8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.026 7.265 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.686 8.721 -7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.169 7.248 -6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.585 8.711 -5.700 1.00 0.00 H new ATOM 1122 N GLN A 72 0.976 9.802 -5.244 1.00 0.00 N ATOM 1123 CA GLN A 72 2.358 10.251 -5.368 1.00 0.00 C ATOM 1124 C GLN A 72 3.221 9.670 -4.254 1.00 0.00 C ATOM 1125 O GLN A 72 4.298 9.129 -4.506 1.00 0.00 O ATOM 1126 CB GLN A 72 2.425 11.779 -5.338 1.00 0.00 C ATOM 1127 CG GLN A 72 3.808 12.321 -5.015 1.00 0.00 C ATOM 1128 CD GLN A 72 4.821 12.020 -6.102 1.00 0.00 C ATOM 1129 OE1 GLN A 72 4.590 12.306 -7.277 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.951 11.441 -5.714 1.00 0.00 N ATOM 0 H GLN A 72 0.353 10.473 -4.794 1.00 0.00 H new ATOM 0 HA GLN A 72 2.744 9.897 -6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.109 12.167 -6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.716 12.151 -4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.747 13.399 -4.869 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.152 11.891 -4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.100 11.222 -4.729 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.670 11.215 -6.401 1.00 0.00 H new ATOM 1139 N LYS A 73 2.742 9.785 -3.020 1.00 0.00 N ATOM 1140 CA LYS A 73 3.469 9.271 -1.865 1.00 0.00 C ATOM 1141 C LYS A 73 3.888 7.821 -2.088 1.00 0.00 C ATOM 1142 O LYS A 73 5.054 7.469 -1.911 1.00 0.00 O ATOM 1143 CB LYS A 73 2.606 9.376 -0.605 1.00 0.00 C ATOM 1144 CG LYS A 73 3.369 9.102 0.679 1.00 0.00 C ATOM 1145 CD LYS A 73 2.620 9.622 1.894 1.00 0.00 C ATOM 1146 CE LYS A 73 3.308 9.216 3.189 1.00 0.00 C ATOM 1147 NZ LYS A 73 4.348 10.201 3.597 1.00 0.00 N ATOM 0 H LYS A 73 1.853 10.230 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 73 4.367 9.875 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.172 10.375 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.777 8.672 -0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.534 8.030 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.351 9.572 0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.551 10.709 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.600 9.237 1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.565 9.123 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.766 8.235 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.793 9.889 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.071 10.271 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.907 11.132 3.741 1.00 0.00 H new ATOM 1161 N ALA A 74 2.931 6.986 -2.478 1.00 0.00 N ATOM 1162 CA ALA A 74 3.203 5.576 -2.728 1.00 0.00 C ATOM 1163 C ALA A 74 4.482 5.399 -3.539 1.00 0.00 C ATOM 1164 O ALA A 74 5.324 4.563 -3.212 1.00 0.00 O ATOM 1165 CB ALA A 74 2.026 4.931 -3.446 1.00 0.00 C ATOM 0 H ALA A 74 1.960 7.261 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 74 3.343 5.082 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.243 3.878 -3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.132 5.017 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.860 5.435 -4.398 1.00 0.00 H new ATOM 1171 N ARG A 75 4.620 6.190 -4.598 1.00 0.00 N ATOM 1172 CA ARG A 75 5.795 6.118 -5.457 1.00 0.00 C ATOM 1173 C ARG A 75 7.053 6.521 -4.692 1.00 0.00 C ATOM 1174 O ARG A 75 8.070 5.828 -4.741 1.00 0.00 O ATOM 1175 CB ARG A 75 5.617 7.023 -6.678 1.00 0.00 C ATOM 1176 CG ARG A 75 4.426 6.649 -7.544 1.00 0.00 C ATOM 1177 CD ARG A 75 3.939 7.833 -8.364 1.00 0.00 C ATOM 1178 NE ARG A 75 4.902 8.220 -9.392 1.00 0.00 N ATOM 1179 CZ ARG A 75 4.574 8.889 -10.491 1.00 0.00 C ATOM 1180 NH1 ARG A 75 3.314 9.244 -10.704 1.00 0.00 N ATOM 1181 NH2 ARG A 75 5.507 9.205 -11.381 1.00 0.00 N ATOM 0 H ARG A 75 3.932 6.888 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 75 5.907 5.086 -5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.502 8.054 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.522 6.984 -7.284 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.702 5.832 -8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.616 6.285 -6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.988 7.582 -8.834 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.754 8.680 -7.703 1.00 0.00 H new ATOM 0 HE ARG A 75 5.880 7.962 -9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.594 9.003 -10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.065 9.758 -11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.477 8.934 -11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.254 9.719 -12.225 1.00 0.00 H new ATOM 1195 N ASP A 76 6.976 7.643 -3.985 1.00 0.00 N ATOM 1196 CA ASP A 76 8.107 8.137 -3.209 1.00 0.00 C ATOM 1197 C ASP A 76 8.544 7.110 -2.170 1.00 0.00 C ATOM 1198 O ASP A 76 9.734 6.946 -1.907 1.00 0.00 O ATOM 1199 CB ASP A 76 7.744 9.454 -2.521 1.00 0.00 C ATOM 1200 CG ASP A 76 8.946 10.359 -2.332 1.00 0.00 C ATOM 1201 OD1 ASP A 76 10.071 9.832 -2.200 1.00 0.00 O ATOM 1202 OD2 ASP A 76 8.762 11.594 -2.316 1.00 0.00 O ATOM 0 H ASP A 76 6.142 8.228 -3.933 1.00 0.00 H new ATOM 0 HA ASP A 76 8.937 8.310 -3.894 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.991 9.974 -3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.296 9.242 -1.550 1.00 0.00 H new ATOM 1207 N ASN A 77 7.571 6.420 -1.582 1.00 0.00 N ATOM 1208 CA ASN A 77 7.855 5.409 -0.570 1.00 0.00 C ATOM 1209 C ASN A 77 8.806 4.347 -1.114 1.00 0.00 C ATOM 1210 O ASN A 77 9.649 3.822 -0.386 1.00 0.00 O ATOM 1211 CB ASN A 77 6.557 4.753 -0.096 1.00 0.00 C ATOM 1212 CG ASN A 77 5.914 5.506 1.053 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.590 6.209 1.804 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.602 5.362 1.194 1.00 0.00 N ATOM 0 H ASN A 77 6.580 6.543 -1.789 1.00 0.00 H new ATOM 0 HA ASN A 77 8.335 5.902 0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.856 4.698 -0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.763 3.729 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.114 5.845 1.949 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.082 4.769 0.548 1.00 0.00 H new ATOM 1221 N ARG A 78 8.664 4.036 -2.398 1.00 0.00 N ATOM 1222 CA ARG A 78 9.510 3.036 -3.040 1.00 0.00 C ATOM 1223 C ARG A 78 10.973 3.469 -3.021 1.00 0.00 C ATOM 1224 O ARG A 78 11.867 2.658 -2.782 1.00 0.00 O ATOM 1225 CB ARG A 78 9.054 2.801 -4.481 1.00 0.00 C ATOM 1226 CG ARG A 78 7.826 1.913 -4.594 1.00 0.00 C ATOM 1227 CD ARG A 78 7.574 1.492 -6.034 1.00 0.00 C ATOM 1228 NE ARG A 78 8.408 0.359 -6.426 1.00 0.00 N ATOM 1229 CZ ARG A 78 8.107 -0.464 -7.425 1.00 0.00 C ATOM 1230 NH1 ARG A 78 6.998 -0.281 -8.128 1.00 0.00 N ATOM 1231 NH2 ARG A 78 8.917 -1.472 -7.722 1.00 0.00 N ATOM 0 H ARG A 78 7.972 4.462 -3.014 1.00 0.00 H new ATOM 0 HA ARG A 78 9.418 2.105 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.840 3.763 -4.947 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.872 2.349 -5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.958 1.027 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.955 2.444 -4.211 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.523 1.228 -6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.771 2.334 -6.698 1.00 0.00 H new ATOM 0 HE ARG A 78 9.268 0.190 -5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.373 0.493 -7.903 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.770 -0.914 -8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.771 -1.616 -7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.685 -2.103 -8.489 1.00 0.00 H new ATOM 1245 N ALA A 79 11.208 4.752 -3.277 1.00 0.00 N ATOM 1246 CA ALA A 79 12.562 5.293 -3.288 1.00 0.00 C ATOM 1247 C ALA A 79 13.241 5.101 -1.937 1.00 0.00 C ATOM 1248 O ALA A 79 14.402 4.700 -1.866 1.00 0.00 O ATOM 1249 CB ALA A 79 12.538 6.766 -3.665 1.00 0.00 C ATOM 0 H ALA A 79 10.479 5.436 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 79 13.139 4.748 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.555 7.157 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.101 6.881 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.940 7.318 -2.939 1.00 0.00 H new ATOM 1255 N ALA A 80 12.509 5.391 -0.866 1.00 0.00 N ATOM 1256 CA ALA A 80 13.041 5.249 0.484 1.00 0.00 C ATOM 1257 C ALA A 80 13.648 3.865 0.692 1.00 0.00 C ATOM 1258 O ALA A 80 14.764 3.735 1.198 1.00 0.00 O ATOM 1259 CB ALA A 80 11.950 5.508 1.512 1.00 0.00 C ATOM 0 H ALA A 80 11.546 5.726 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 80 13.831 5.988 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.362 5.398 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.565 6.520 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.141 4.792 1.372 1.00 0.00 H new ATOM 1265 N LEU A 81 12.907 2.835 0.301 1.00 0.00 N ATOM 1266 CA LEU A 81 13.372 1.459 0.445 1.00 0.00 C ATOM 1267 C LEU A 81 14.675 1.242 -0.317 1.00 0.00 C ATOM 1268 O LEU A 81 15.567 0.532 0.148 1.00 0.00 O ATOM 1269 CB LEU A 81 12.306 0.484 -0.056 1.00 0.00 C ATOM 1270 CG LEU A 81 10.890 0.706 0.476 1.00 0.00 C ATOM 1271 CD1 LEU A 81 9.938 -0.336 -0.090 1.00 0.00 C ATOM 1272 CD2 LEU A 81 10.880 0.670 1.997 1.00 0.00 C ATOM 0 H LEU A 81 11.982 2.926 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 81 13.556 1.273 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.276 0.537 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.616 -0.528 0.205 1.00 0.00 H new ATOM 0 HG LEU A 81 10.552 1.691 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.935 -0.162 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.923 -0.262 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.273 -1.331 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.864 0.830 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.239 -0.300 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.530 1.455 2.384 1.00 0.00 H new ATOM 1284 N ARG A 82 14.779 1.860 -1.489 1.00 0.00 N ATOM 1285 CA ARG A 82 15.974 1.735 -2.316 1.00 0.00 C ATOM 1286 C ARG A 82 17.187 2.335 -1.611 1.00 0.00 C ATOM 1287 O ARG A 82 18.329 1.990 -1.919 1.00 0.00 O ATOM 1288 CB ARG A 82 15.761 2.426 -3.664 1.00 0.00 C ATOM 1289 CG ARG A 82 16.900 2.207 -4.646 1.00 0.00 C ATOM 1290 CD ARG A 82 17.964 3.286 -4.515 1.00 0.00 C ATOM 1291 NE ARG A 82 19.292 2.791 -4.870 1.00 0.00 N ATOM 1292 CZ ARG A 82 20.327 3.583 -5.127 1.00 0.00 C ATOM 1293 NH1 ARG A 82 20.188 4.901 -5.068 1.00 0.00 N ATOM 1294 NH2 ARG A 82 21.503 3.058 -5.442 1.00 0.00 N ATOM 0 H ARG A 82 14.050 2.452 -1.887 1.00 0.00 H new ATOM 0 HA ARG A 82 16.160 0.674 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.835 2.061 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.635 3.496 -3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.349 1.229 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.509 2.202 -5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.707 4.128 -5.158 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.978 3.659 -3.491 1.00 0.00 H new ATOM 0 HE ARG A 82 19.432 1.782 -4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 82 19.285 5.308 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 82 20.984 5.507 -5.266 1.00 0.00 H new ATOM 0 HH21 ARG A 82 21.614 2.045 -5.487 1.00 0.00 H new ATOM 0 HH22 ARG A 82 22.297 3.667 -5.639 1.00 0.00 H new ATOM 1308 N ILE A 83 16.933 3.233 -0.665 1.00 0.00 N ATOM 1309 CA ILE A 83 18.004 3.879 0.083 1.00 0.00 C ATOM 1310 C ILE A 83 18.746 2.875 0.958 1.00 0.00 C ATOM 1311 O ILE A 83 19.936 2.630 0.767 1.00 0.00 O ATOM 1312 CB ILE A 83 17.464 5.016 0.970 1.00 0.00 C ATOM 1313 CG1 ILE A 83 16.495 5.895 0.177 1.00 0.00 C ATOM 1314 CG2 ILE A 83 18.613 5.848 1.520 1.00 0.00 C ATOM 1315 CD1 ILE A 83 17.078 6.425 -1.114 1.00 0.00 C ATOM 0 H ILE A 83 15.994 3.530 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 83 18.694 4.297 -0.650 1.00 0.00 H new ATOM 0 HB ILE A 83 16.923 4.578 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 83 15.597 5.320 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 83 16.187 6.735 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 83 18.216 6.648 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 83 19.269 5.213 2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 83 19.178 6.280 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.336 7.040 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.959 7.028 -0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 83 17.360 5.590 -1.756 1.00 0.00 H new ATOM 1327 N ASN A 84 18.033 2.294 1.918 1.00 0.00 N ATOM 1328 CA ASN A 84 18.624 1.315 2.823 1.00 0.00 C ATOM 1329 C ASN A 84 18.564 -0.086 2.222 1.00 0.00 C ATOM 1330 O ASN A 84 17.901 -0.312 1.209 1.00 0.00 O ATOM 1331 CB ASN A 84 17.902 1.335 4.171 1.00 0.00 C ATOM 1332 CG ASN A 84 18.812 0.946 5.321 1.00 0.00 C ATOM 1333 OD1 ASN A 84 18.594 -0.068 5.984 1.00 0.00 O ATOM 1334 ND2 ASN A 84 19.838 1.754 5.561 1.00 0.00 N ATOM 0 H ASN A 84 17.046 2.484 2.089 1.00 0.00 H new ATOM 0 HA ASN A 84 19.670 1.582 2.975 1.00 0.00 H new ATOM 0 HB2 ASN A 84 17.501 2.332 4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 84 17.053 0.652 4.136 1.00 0.00 H new ATOM 0 HD21 ASN A 84 20.485 1.545 6.321 1.00 0.00 H new ATOM 0 HD22 ASN A 84 19.979 2.584 4.985 1.00 0.00 H new ATOM 1341 N LYS A 85 19.260 -1.025 2.854 1.00 0.00 N ATOM 1342 CA LYS A 85 19.286 -2.405 2.385 1.00 0.00 C ATOM 1343 C LYS A 85 18.040 -3.158 2.840 1.00 0.00 C ATOM 1344 O LYS A 85 17.848 -3.398 4.032 1.00 0.00 O ATOM 1345 CB LYS A 85 20.540 -3.117 2.897 1.00 0.00 C ATOM 1346 CG LYS A 85 20.948 -2.697 4.299 1.00 0.00 C ATOM 1347 CD LYS A 85 21.836 -3.739 4.957 1.00 0.00 C ATOM 1348 CE LYS A 85 23.308 -3.473 4.679 1.00 0.00 C ATOM 1349 NZ LYS A 85 24.132 -4.703 4.832 1.00 0.00 N ATOM 0 H LYS A 85 19.814 -0.855 3.693 1.00 0.00 H new ATOM 0 HA LYS A 85 19.303 -2.391 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.367 -4.193 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.365 -2.919 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.475 -1.744 4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.057 -2.541 4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.662 -3.739 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.569 -4.730 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 85 23.422 -3.083 3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.673 -2.704 5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.128 -4.480 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.044 -5.061 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.800 -5.428 4.164 1.00 0.00 H new ATOM 1363 N VAL A 86 17.196 -3.530 1.882 1.00 0.00 N ATOM 1364 CA VAL A 86 15.970 -4.258 2.185 1.00 0.00 C ATOM 1365 C VAL A 86 16.013 -5.670 1.611 1.00 0.00 C ATOM 1366 O VAL A 86 16.750 -5.942 0.664 1.00 0.00 O ATOM 1367 CB VAL A 86 14.732 -3.528 1.631 1.00 0.00 C ATOM 1368 CG1 VAL A 86 14.598 -2.150 2.260 1.00 0.00 C ATOM 1369 CG2 VAL A 86 14.809 -3.426 0.115 1.00 0.00 C ATOM 0 H VAL A 86 17.339 -3.339 0.890 1.00 0.00 H new ATOM 0 HA VAL A 86 15.895 -4.312 3.271 1.00 0.00 H new ATOM 0 HB VAL A 86 13.845 -4.106 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.718 -1.650 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.494 -2.252 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.486 -1.559 2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.927 -2.908 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 86 15.703 -2.871 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.852 -4.427 -0.315 1.00 0.00 H new ATOM 1379 N GLN A 87 15.218 -6.563 2.191 1.00 0.00 N ATOM 1380 CA GLN A 87 15.166 -7.948 1.737 1.00 0.00 C ATOM 1381 C GLN A 87 14.289 -8.081 0.496 1.00 0.00 C ATOM 1382 O GLN A 87 13.120 -8.455 0.588 1.00 0.00 O ATOM 1383 CB GLN A 87 14.636 -8.853 2.850 1.00 0.00 C ATOM 1384 CG GLN A 87 15.552 -8.928 4.061 1.00 0.00 C ATOM 1385 CD GLN A 87 14.820 -9.342 5.322 1.00 0.00 C ATOM 1386 OE1 GLN A 87 13.735 -8.838 5.617 1.00 0.00 O ATOM 1387 NE2 GLN A 87 15.409 -10.263 6.075 1.00 0.00 N ATOM 0 H GLN A 87 14.601 -6.353 2.976 1.00 0.00 H new ATOM 0 HA GLN A 87 16.179 -8.257 1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 87 13.658 -8.491 3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.491 -9.857 2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.354 -9.638 3.861 1.00 0.00 H new ATOM 0 HG3 GLN A 87 16.019 -7.956 4.219 1.00 0.00 H new ATOM 0 HE21 GLN A 87 16.308 -10.654 5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.963 -10.580 6.936 1.00 0.00 H new ATOM 1396 N MET A 88 14.861 -7.772 -0.663 1.00 0.00 N ATOM 1397 CA MET A 88 14.131 -7.858 -1.922 1.00 0.00 C ATOM 1398 C MET A 88 14.938 -8.621 -2.968 1.00 0.00 C ATOM 1399 O MET A 88 15.932 -8.115 -3.488 1.00 0.00 O ATOM 1400 CB MET A 88 13.798 -6.458 -2.440 1.00 0.00 C ATOM 1401 CG MET A 88 12.962 -6.462 -3.710 1.00 0.00 C ATOM 1402 SD MET A 88 13.921 -6.908 -5.171 1.00 0.00 S ATOM 1403 CE MET A 88 14.451 -5.293 -5.734 1.00 0.00 C ATOM 0 H MET A 88 15.828 -7.460 -0.756 1.00 0.00 H new ATOM 0 HA MET A 88 13.203 -8.400 -1.738 1.00 0.00 H new ATOM 0 HB2 MET A 88 13.263 -5.910 -1.664 1.00 0.00 H new ATOM 0 HB3 MET A 88 14.726 -5.919 -2.628 1.00 0.00 H new ATOM 0 HG2 MET A 88 12.136 -7.163 -3.594 1.00 0.00 H new ATOM 0 HG3 MET A 88 12.524 -5.475 -3.855 1.00 0.00 H new ATOM 0 HE1 MET A 88 15.056 -5.402 -6.634 1.00 0.00 H new ATOM 0 HE2 MET A 88 13.577 -4.680 -5.957 1.00 0.00 H new ATOM 0 HE3 MET A 88 15.042 -4.812 -4.955 1.00 0.00 H new ATOM 1413 N SER A 89 14.504 -9.840 -3.270 1.00 0.00 N ATOM 1414 CA SER A 89 15.190 -10.674 -4.251 1.00 0.00 C ATOM 1415 C SER A 89 15.112 -10.052 -5.642 1.00 0.00 C ATOM 1416 O SER A 89 14.028 -9.879 -6.197 1.00 0.00 O ATOM 1417 CB SER A 89 14.580 -12.077 -4.273 1.00 0.00 C ATOM 1418 OG SER A 89 15.472 -13.011 -4.856 1.00 0.00 O ATOM 0 H SER A 89 13.681 -10.272 -2.850 1.00 0.00 H new ATOM 0 HA SER A 89 16.239 -10.745 -3.962 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.336 -12.387 -3.257 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.646 -12.062 -4.834 1.00 0.00 H new ATOM 0 HG SER A 89 15.060 -13.900 -4.857 1.00 0.00 H new ATOM 1424 N ASN A 90 16.272 -9.717 -6.198 1.00 0.00 N ATOM 1425 CA ASN A 90 16.337 -9.114 -7.524 1.00 0.00 C ATOM 1426 C ASN A 90 15.618 -9.981 -8.553 1.00 0.00 C ATOM 1427 O ASN A 90 15.711 -9.739 -9.756 1.00 0.00 O ATOM 1428 CB ASN A 90 17.794 -8.909 -7.943 1.00 0.00 C ATOM 1429 CG ASN A 90 18.679 -10.076 -7.549 1.00 0.00 C ATOM 1430 OD1 ASN A 90 19.681 -9.903 -6.856 1.00 0.00 O ATOM 1431 ND2 ASN A 90 18.311 -11.273 -7.992 1.00 0.00 N ATOM 0 H ASN A 90 17.179 -9.853 -5.751 1.00 0.00 H new ATOM 0 HA ASN A 90 15.838 -8.146 -7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 90 17.842 -8.768 -9.023 1.00 0.00 H new ATOM 0 HB3 ASN A 90 18.176 -7.996 -7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 90 18.867 -12.096 -7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 90 17.472 -11.369 -8.564 1.00 0.00 H new TER 1438 ASN A 90