USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 513 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 48 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 52 ASN :FLIP amide:sc= -1.08 F(o=-2.4,f=-1.1) USER MOD Set 2.1: A 46 THR OG1 : rot -71:sc=-7.78e-05 USER MOD Set 2.2: A 49 GLN : amide:sc= -1 K(o=-1,f=-4.9!) USER MOD Set 3.1: A 24 SER OG : rot -99:sc= 1.21 USER MOD Set 3.2: A 25 HIS : no HD1:sc= -2.78! C(o=-5.6!,f=-8.2!) USER MOD Set 3.3: A 30 TYR OH : rot 155:sc= -3.99! USER MOD Single : A 1 SER N :NH3+ 168:sc= -0.0275 (180deg=-0.162) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= -1.99 X(o=-2,f=-2.1!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 10 MET CE :methyl -109:sc= -1.97 (180deg=-6.55!) USER MOD Single : A 11 ASN : amide:sc= -3.47 K(o=-3.5,f=-4.2!) USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= -0.0589 (180deg=-0.348) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.796 F(o=-2.5!,f=-0.8) USER MOD Single : A 15 THR OG1 : rot 27:sc= 0.00448 USER MOD Single : A 19 ASN : amide:sc= -1.55 K(o=-1.6,f=-3!) USER MOD Single : A 21 TYR OH : rot 30:sc= -1.19 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.6 K(o=-1.6,f=-8.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= -0.708 (180deg=-3.67!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -0.0151 (180deg=-0.274) USER MOD Single : A 43 CYS SG : rot -33:sc= -0.615 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.043) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.22) USER MOD Single : A 61 TYR OH : rot 141:sc= 1.63 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.27 K(o=-2.3,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.879 26.862 -14.698 1.00 15.00 N ATOM 2 CA SER A 1 16.309 27.204 -14.488 1.00 15.00 C ATOM 3 C SER A 1 16.866 26.509 -13.250 1.00 15.00 C ATOM 4 O SER A 1 17.733 27.047 -12.561 1.00 15.00 O ATOM 5 CB SER A 1 16.430 28.722 -14.341 1.00 15.00 C ATOM 6 OG SER A 1 17.660 29.189 -14.868 1.00 15.00 O ATOM 0 H1 SER A 1 14.472 27.496 -15.415 1.00 15.00 H new ATOM 0 H2 SER A 1 14.802 25.877 -15.023 1.00 15.00 H new ATOM 0 H3 SER A 1 14.360 26.973 -13.803 1.00 15.00 H new ATOM 0 HA SER A 1 16.889 26.862 -15.345 1.00 15.00 H new ATOM 0 HB2 SER A 1 15.602 29.208 -14.857 1.00 15.00 H new ATOM 0 HB3 SER A 1 16.354 28.996 -13.289 1.00 15.00 H new ATOM 0 HG SER A 1 17.712 30.162 -14.763 1.00 15.00 H new ATOM 14 N SER A 2 16.363 25.310 -12.973 1.00 15.00 N ATOM 15 CA SER A 2 16.810 24.541 -11.818 1.00 15.00 C ATOM 16 C SER A 2 17.034 23.079 -12.189 1.00 15.00 C ATOM 17 O SER A 2 16.140 22.418 -12.716 1.00 15.00 O ATOM 18 CB SER A 2 15.787 24.641 -10.685 1.00 15.00 C ATOM 19 OG SER A 2 15.441 25.991 -10.428 1.00 15.00 O ATOM 0 H SER A 2 15.645 24.850 -13.533 1.00 15.00 H new ATOM 0 HA SER A 2 17.758 24.960 -11.480 1.00 15.00 H new ATOM 0 HB2 SER A 2 14.892 24.077 -10.948 1.00 15.00 H new ATOM 0 HB3 SER A 2 16.195 24.189 -9.781 1.00 15.00 H new ATOM 0 HG SER A 2 14.785 26.028 -9.701 1.00 15.00 H new ATOM 25 N GLY A 3 18.234 22.581 -11.909 1.00 15.00 N ATOM 26 CA GLY A 3 18.553 21.199 -12.219 1.00 15.00 C ATOM 27 C GLY A 3 18.411 20.288 -11.016 1.00 15.00 C ATOM 28 O GLY A 3 19.261 19.433 -10.772 1.00 15.00 O ATOM 0 H GLY A 3 18.991 23.109 -11.474 1.00 15.00 H new ATOM 0 HA2 GLY A 3 17.898 20.848 -13.016 1.00 15.00 H new ATOM 0 HA3 GLY A 3 19.574 21.141 -12.597 1.00 15.00 H new ATOM 32 N HIS A 4 17.333 20.474 -10.260 1.00 15.00 N ATOM 33 CA HIS A 4 17.085 19.663 -9.074 1.00 15.00 C ATOM 34 C HIS A 4 15.589 19.476 -8.842 1.00 15.00 C ATOM 35 O HIS A 4 14.920 20.356 -8.300 1.00 15.00 O ATOM 36 CB HIS A 4 17.726 20.310 -7.844 1.00 15.00 C ATOM 37 CG HIS A 4 17.549 21.796 -7.785 1.00 15.00 C ATOM 38 ND1 HIS A 4 18.501 22.685 -8.239 1.00 15.00 N ATOM 39 CD2 HIS A 4 16.523 22.548 -7.323 1.00 15.00 C ATOM 40 CE1 HIS A 4 18.068 23.920 -8.056 1.00 15.00 C ATOM 41 NE2 HIS A 4 16.872 23.865 -7.503 1.00 15.00 N ATOM 0 H HIS A 4 16.619 21.178 -10.448 1.00 15.00 H new ATOM 0 HA HIS A 4 17.533 18.683 -9.237 1.00 15.00 H new ATOM 0 HB2 HIS A 4 17.297 19.866 -6.946 1.00 15.00 H new ATOM 0 HB3 HIS A 4 18.791 20.079 -7.836 1.00 15.00 H new ATOM 0 HD2 HIS A 4 15.602 22.182 -6.893 1.00 15.00 H new ATOM 0 HE1 HIS A 4 18.603 24.822 -8.315 1.00 15.00 H new ATOM 0 HE2 HIS A 4 16.299 24.670 -7.250 1.00 15.00 H new ATOM 50 N ILE A 5 15.071 18.324 -9.254 1.00 15.00 N ATOM 51 CA ILE A 5 13.654 18.019 -9.091 1.00 15.00 C ATOM 52 C ILE A 5 13.421 16.511 -9.034 1.00 15.00 C ATOM 53 O ILE A 5 13.189 15.869 -10.058 1.00 15.00 O ATOM 54 CB ILE A 5 12.814 18.624 -10.234 1.00 15.00 C ATOM 55 CG1 ILE A 5 11.328 18.317 -10.029 1.00 15.00 C ATOM 56 CG2 ILE A 5 13.289 18.100 -11.581 1.00 15.00 C ATOM 57 CD1 ILE A 5 10.428 18.979 -11.049 1.00 15.00 C ATOM 0 H ILE A 5 15.612 17.585 -9.704 1.00 15.00 H new ATOM 0 HA ILE A 5 13.337 18.465 -8.148 1.00 15.00 H new ATOM 0 HB ILE A 5 12.945 19.706 -10.222 1.00 15.00 H new ATOM 0 HG12 ILE A 5 11.179 17.238 -10.071 1.00 15.00 H new ATOM 0 HG13 ILE A 5 11.033 18.641 -9.031 1.00 15.00 H new ATOM 0 HG21 ILE A 5 12.685 18.538 -12.375 1.00 15.00 H new ATOM 0 HG22 ILE A 5 14.334 18.371 -11.729 1.00 15.00 H new ATOM 0 HG23 ILE A 5 13.189 17.015 -11.605 1.00 15.00 H new ATOM 0 HD11 ILE A 5 9.390 18.718 -10.843 1.00 15.00 H new ATOM 0 HD12 ILE A 5 10.548 20.061 -10.992 1.00 15.00 H new ATOM 0 HD13 ILE A 5 10.697 18.636 -12.048 1.00 15.00 H new ATOM 69 N GLU A 6 13.484 15.953 -7.829 1.00 15.00 N ATOM 70 CA GLU A 6 13.279 14.521 -7.641 1.00 15.00 C ATOM 71 C GLU A 6 11.794 14.192 -7.527 1.00 15.00 C ATOM 72 O GLU A 6 11.297 13.872 -6.447 1.00 15.00 O ATOM 73 CB GLU A 6 14.021 14.039 -6.391 1.00 15.00 C ATOM 74 CG GLU A 6 14.646 12.663 -6.551 1.00 15.00 C ATOM 75 CD GLU A 6 13.788 11.560 -5.962 1.00 15.00 C ATOM 76 OE1 GLU A 6 13.261 11.749 -4.846 1.00 15.00 O ATOM 77 OE2 GLU A 6 13.642 10.509 -6.619 1.00 15.00 O ATOM 0 H GLU A 6 13.675 16.469 -6.970 1.00 15.00 H new ATOM 0 HA GLU A 6 13.678 14.004 -8.514 1.00 15.00 H new ATOM 0 HB2 GLU A 6 14.802 14.757 -6.142 1.00 15.00 H new ATOM 0 HB3 GLU A 6 13.327 14.019 -5.551 1.00 15.00 H new ATOM 0 HG2 GLU A 6 14.811 12.464 -7.610 1.00 15.00 H new ATOM 0 HG3 GLU A 6 15.624 12.654 -6.069 1.00 15.00 H new ATOM 84 N GLY A 7 11.088 14.271 -8.652 1.00 15.00 N ATOM 85 CA GLY A 7 9.667 13.979 -8.659 1.00 15.00 C ATOM 86 C GLY A 7 9.310 12.815 -9.567 1.00 15.00 C ATOM 87 O GLY A 7 8.181 12.326 -9.541 1.00 15.00 O ATOM 0 H GLY A 7 11.476 14.532 -9.558 1.00 15.00 H new ATOM 0 HA2 GLY A 7 9.342 13.754 -7.643 1.00 15.00 H new ATOM 0 HA3 GLY A 7 9.120 14.865 -8.980 1.00 15.00 H new ATOM 91 N ARG A 8 10.272 12.372 -10.373 1.00 15.00 N ATOM 92 CA ARG A 8 10.047 11.262 -11.292 1.00 15.00 C ATOM 93 C ARG A 8 10.093 9.926 -10.554 1.00 15.00 C ATOM 94 O ARG A 8 10.145 9.889 -9.324 1.00 15.00 O ATOM 95 CB ARG A 8 11.095 11.282 -12.408 1.00 15.00 C ATOM 96 CG ARG A 8 10.998 12.504 -13.306 1.00 15.00 C ATOM 97 CD ARG A 8 9.650 12.578 -14.006 1.00 15.00 C ATOM 98 NE ARG A 8 8.879 13.746 -13.585 1.00 15.00 N ATOM 99 CZ ARG A 8 9.077 14.974 -14.059 1.00 15.00 C ATOM 100 NH1 ARG A 8 10.020 15.198 -14.966 1.00 15.00 N ATOM 101 NH2 ARG A 8 8.331 15.980 -13.625 1.00 15.00 N ATOM 0 H ARG A 8 11.213 12.765 -10.408 1.00 15.00 H new ATOM 0 HA ARG A 8 9.056 11.377 -11.731 1.00 15.00 H new ATOM 0 HB2 ARG A 8 12.089 11.245 -11.963 1.00 15.00 H new ATOM 0 HB3 ARG A 8 10.985 10.384 -13.016 1.00 15.00 H new ATOM 0 HG2 ARG A 8 11.151 13.405 -12.713 1.00 15.00 H new ATOM 0 HG3 ARG A 8 11.794 12.474 -14.050 1.00 15.00 H new ATOM 0 HD2 ARG A 8 9.803 12.614 -15.085 1.00 15.00 H new ATOM 0 HD3 ARG A 8 9.081 11.672 -13.795 1.00 15.00 H new ATOM 0 HE ARG A 8 8.147 13.612 -12.888 1.00 15.00 H new ATOM 0 HH11 ARG A 8 10.597 14.427 -15.303 1.00 15.00 H new ATOM 0 HH12 ARG A 8 10.168 16.141 -15.326 1.00 15.00 H new ATOM 0 HH21 ARG A 8 7.605 15.813 -12.928 1.00 15.00 H new ATOM 0 HH22 ARG A 8 8.483 16.921 -13.988 1.00 15.00 H new ATOM 115 N HIS A 9 10.070 8.833 -11.312 1.00 15.00 N ATOM 116 CA HIS A 9 10.109 7.493 -10.733 1.00 15.00 C ATOM 117 C HIS A 9 8.834 7.203 -9.947 1.00 15.00 C ATOM 118 O HIS A 9 8.384 8.023 -9.147 1.00 15.00 O ATOM 119 CB HIS A 9 11.333 7.335 -9.826 1.00 15.00 C ATOM 120 CG HIS A 9 12.487 6.653 -10.493 1.00 15.00 C ATOM 121 ND1 HIS A 9 12.457 5.330 -10.882 1.00 15.00 N ATOM 122 CD2 HIS A 9 13.711 7.118 -10.840 1.00 15.00 C ATOM 123 CE1 HIS A 9 13.613 5.011 -11.437 1.00 15.00 C ATOM 124 NE2 HIS A 9 14.390 6.078 -11.425 1.00 15.00 N ATOM 0 H HIS A 9 10.024 8.849 -12.331 1.00 15.00 H new ATOM 0 HA HIS A 9 10.182 6.775 -11.550 1.00 15.00 H new ATOM 0 HB2 HIS A 9 11.652 8.320 -9.484 1.00 15.00 H new ATOM 0 HB3 HIS A 9 11.048 6.767 -8.940 1.00 15.00 H new ATOM 0 HD2 HIS A 9 14.083 8.120 -10.685 1.00 15.00 H new ATOM 0 HE1 HIS A 9 13.877 4.042 -11.833 1.00 15.00 H new ATOM 0 HE2 HIS A 9 15.341 6.123 -11.791 1.00 15.00 H new ATOM 133 N MET A 10 8.267 6.020 -10.166 1.00 15.00 N ATOM 134 CA MET A 10 7.065 5.605 -9.474 1.00 15.00 C ATOM 135 C MET A 10 7.445 5.041 -8.121 1.00 15.00 C ATOM 136 O MET A 10 8.545 5.290 -7.630 1.00 15.00 O ATOM 137 CB MET A 10 6.304 4.562 -10.298 1.00 15.00 C ATOM 138 CG MET A 10 4.843 4.918 -10.529 1.00 15.00 C ATOM 139 SD MET A 10 3.717 3.592 -10.053 1.00 15.00 S ATOM 140 CE MET A 10 2.169 4.485 -9.954 1.00 15.00 C ATOM 0 H MET A 10 8.630 5.331 -10.825 1.00 15.00 H new ATOM 0 HA MET A 10 6.410 6.465 -9.337 1.00 15.00 H new ATOM 0 HB2 MET A 10 6.797 4.442 -11.263 1.00 15.00 H new ATOM 0 HB3 MET A 10 6.359 3.599 -9.790 1.00 15.00 H new ATOM 0 HG2 MET A 10 4.599 5.817 -9.963 1.00 15.00 H new ATOM 0 HG3 MET A 10 4.694 5.155 -11.582 1.00 15.00 H new ATOM 0 HE1 MET A 10 1.868 4.576 -8.910 1.00 15.00 H new ATOM 0 HE2 MET A 10 2.294 5.479 -10.383 1.00 15.00 H new ATOM 0 HE3 MET A 10 1.401 3.945 -10.508 1.00 15.00 H new ATOM 150 N ASN A 11 6.555 4.270 -7.520 1.00 15.00 N ATOM 151 CA ASN A 11 6.855 3.682 -6.233 1.00 15.00 C ATOM 152 C ASN A 11 7.285 2.225 -6.385 1.00 15.00 C ATOM 153 O ASN A 11 6.876 1.539 -7.321 1.00 15.00 O ATOM 154 CB ASN A 11 5.659 3.792 -5.288 1.00 15.00 C ATOM 155 CG ASN A 11 5.848 4.873 -4.243 1.00 15.00 C ATOM 156 OD1 ASN A 11 6.333 5.965 -4.542 1.00 15.00 O ATOM 157 ND2 ASN A 11 5.467 4.575 -3.007 1.00 15.00 N ATOM 0 H ASN A 11 5.635 4.041 -7.897 1.00 15.00 H new ATOM 0 HA ASN A 11 7.685 4.239 -5.798 1.00 15.00 H new ATOM 0 HB2 ASN A 11 4.760 4.003 -5.867 1.00 15.00 H new ATOM 0 HB3 ASN A 11 5.502 2.834 -4.792 1.00 15.00 H new ATOM 0 HD21 ASN A 11 5.571 5.263 -2.261 1.00 15.00 H new ATOM 0 HD22 ASN A 11 5.070 3.658 -2.803 1.00 15.00 H new ATOM 164 N LYS A 12 8.118 1.766 -5.459 1.00 15.00 N ATOM 165 CA LYS A 12 8.615 0.396 -5.488 1.00 15.00 C ATOM 166 C LYS A 12 7.501 -0.614 -5.222 1.00 15.00 C ATOM 167 O LYS A 12 6.963 -1.216 -6.152 1.00 15.00 O ATOM 168 CB LYS A 12 9.736 0.219 -4.461 1.00 15.00 C ATOM 169 CG LYS A 12 11.048 0.862 -4.880 1.00 15.00 C ATOM 170 CD LYS A 12 11.524 1.882 -3.859 1.00 15.00 C ATOM 171 CE LYS A 12 12.112 3.111 -4.533 1.00 15.00 C ATOM 172 NZ LYS A 12 11.080 3.886 -5.275 1.00 15.00 N ATOM 0 H LYS A 12 8.464 2.323 -4.678 1.00 15.00 H new ATOM 0 HA LYS A 12 9.006 0.208 -6.488 1.00 15.00 H new ATOM 0 HB2 LYS A 12 9.418 0.647 -3.510 1.00 15.00 H new ATOM 0 HB3 LYS A 12 9.899 -0.845 -4.293 1.00 15.00 H new ATOM 0 HG2 LYS A 12 11.808 0.091 -5.006 1.00 15.00 H new ATOM 0 HG3 LYS A 12 10.923 1.347 -5.848 1.00 15.00 H new ATOM 0 HD2 LYS A 12 10.690 2.178 -3.223 1.00 15.00 H new ATOM 0 HD3 LYS A 12 12.273 1.427 -3.211 1.00 15.00 H new ATOM 0 HE2 LYS A 12 12.575 3.750 -3.781 1.00 15.00 H new ATOM 0 HE3 LYS A 12 12.900 2.805 -5.221 1.00 15.00 H new ATOM 0 HZ1 LYS A 12 11.381 4.878 -5.354 1.00 15.00 H new ATOM 0 HZ2 LYS A 12 10.961 3.483 -6.227 1.00 15.00 H new ATOM 0 HZ3 LYS A 12 10.176 3.838 -4.764 1.00 15.00 H new ATOM 186 N GLN A 13 7.173 -0.811 -3.948 1.00 15.00 N ATOM 187 CA GLN A 13 6.142 -1.768 -3.562 1.00 15.00 C ATOM 188 C GLN A 13 4.754 -1.345 -4.032 1.00 15.00 C ATOM 189 O GLN A 13 3.902 -2.192 -4.295 1.00 15.00 O ATOM 190 CB GLN A 13 6.147 -1.970 -2.048 1.00 15.00 C ATOM 191 CG GLN A 13 6.902 -3.215 -1.614 1.00 15.00 C ATOM 192 CD GLN A 13 6.307 -4.486 -2.192 1.00 15.00 C ATOM 193 OE1 GLN A 13 6.745 -4.857 -3.391 1.00 15.00 O flip ATOM 194 NE2 GLN A 13 5.462 -5.127 -1.567 1.00 15.00 N flip ATOM 0 H GLN A 13 7.607 -0.320 -3.166 1.00 15.00 H new ATOM 0 HA GLN A 13 6.377 -2.711 -4.055 1.00 15.00 H new ATOM 0 HB2 GLN A 13 6.595 -1.097 -1.573 1.00 15.00 H new ATOM 0 HB3 GLN A 13 5.118 -2.034 -1.693 1.00 15.00 H new ATOM 0 HG2 GLN A 13 7.943 -3.131 -1.925 1.00 15.00 H new ATOM 0 HG3 GLN A 13 6.898 -3.278 -0.526 1.00 15.00 H new ATOM 0 HE21 GLN A 13 5.154 -4.806 -0.649 1.00 15.00 H new ATOM 0 HE22 GLN A 13 5.070 -5.979 -1.967 1.00 15.00 H new ATOM 203 N ALA A 14 4.519 -0.043 -4.145 1.00 15.00 N ATOM 204 CA ALA A 14 3.217 0.441 -4.595 1.00 15.00 C ATOM 205 C ALA A 14 2.820 -0.247 -5.896 1.00 15.00 C ATOM 206 O ALA A 14 1.711 -0.758 -6.028 1.00 15.00 O ATOM 207 CB ALA A 14 3.238 1.952 -4.771 1.00 15.00 C ATOM 0 H ALA A 14 5.200 0.687 -3.935 1.00 15.00 H new ATOM 0 HA ALA A 14 2.475 0.199 -3.834 1.00 15.00 H new ATOM 0 HB1 ALA A 14 2.259 2.293 -5.107 1.00 15.00 H new ATOM 0 HB2 ALA A 14 3.481 2.426 -3.820 1.00 15.00 H new ATOM 0 HB3 ALA A 14 3.990 2.221 -5.513 1.00 15.00 H new ATOM 213 N THR A 15 3.748 -0.282 -6.845 1.00 15.00 N ATOM 214 CA THR A 15 3.511 -0.935 -8.128 1.00 15.00 C ATOM 215 C THR A 15 3.073 -2.379 -7.904 1.00 15.00 C ATOM 216 O THR A 15 2.323 -2.945 -8.699 1.00 15.00 O ATOM 217 CB THR A 15 4.792 -0.889 -8.966 1.00 15.00 C ATOM 218 OG1 THR A 15 4.809 0.258 -9.796 1.00 15.00 O ATOM 219 CG2 THR A 15 4.995 -2.101 -9.855 1.00 15.00 C ATOM 0 H THR A 15 4.674 0.135 -6.750 1.00 15.00 H new ATOM 0 HA THR A 15 2.718 -0.412 -8.662 1.00 15.00 H new ATOM 0 HB THR A 15 5.600 -0.867 -8.235 1.00 15.00 H new ATOM 0 HG1 THR A 15 4.271 0.967 -9.386 1.00 15.00 H new ATOM 0 HG21 THR A 15 5.924 -1.990 -10.415 1.00 15.00 H new ATOM 0 HG22 THR A 15 5.047 -2.999 -9.239 1.00 15.00 H new ATOM 0 HG23 THR A 15 4.160 -2.186 -10.551 1.00 15.00 H new ATOM 227 N GLU A 16 3.530 -2.957 -6.799 1.00 15.00 N ATOM 228 CA GLU A 16 3.168 -4.324 -6.449 1.00 15.00 C ATOM 229 C GLU A 16 1.792 -4.314 -5.812 1.00 15.00 C ATOM 230 O GLU A 16 1.007 -5.249 -5.963 1.00 15.00 O ATOM 231 CB GLU A 16 4.196 -4.936 -5.495 1.00 15.00 C ATOM 232 CG GLU A 16 5.400 -5.538 -6.203 1.00 15.00 C ATOM 233 CD GLU A 16 5.675 -6.966 -5.775 1.00 15.00 C ATOM 234 OE1 GLU A 16 4.718 -7.664 -5.383 1.00 15.00 O ATOM 235 OE2 GLU A 16 6.851 -7.385 -5.831 1.00 15.00 O ATOM 0 H GLU A 16 4.151 -2.500 -6.131 1.00 15.00 H new ATOM 0 HA GLU A 16 3.154 -4.936 -7.351 1.00 15.00 H new ATOM 0 HB2 GLU A 16 4.539 -4.168 -4.802 1.00 15.00 H new ATOM 0 HB3 GLU A 16 3.711 -5.709 -4.899 1.00 15.00 H new ATOM 0 HG2 GLU A 16 5.234 -5.511 -7.280 1.00 15.00 H new ATOM 0 HG3 GLU A 16 6.279 -4.926 -6.000 1.00 15.00 H new ATOM 242 N ILE A 17 1.506 -3.215 -5.128 1.00 15.00 N ATOM 243 CA ILE A 17 0.226 -3.009 -4.486 1.00 15.00 C ATOM 244 C ILE A 17 -0.833 -2.808 -5.560 1.00 15.00 C ATOM 245 O ILE A 17 -1.912 -3.401 -5.523 1.00 15.00 O ATOM 246 CB ILE A 17 0.290 -1.757 -3.582 1.00 15.00 C ATOM 247 CG1 ILE A 17 1.055 -2.044 -2.283 1.00 15.00 C ATOM 248 CG2 ILE A 17 -1.106 -1.233 -3.275 1.00 15.00 C ATOM 249 CD1 ILE A 17 0.925 -3.464 -1.786 1.00 15.00 C ATOM 0 H ILE A 17 2.160 -2.442 -5.005 1.00 15.00 H new ATOM 0 HA ILE A 17 -0.023 -3.876 -3.874 1.00 15.00 H new ATOM 0 HB ILE A 17 0.833 -0.986 -4.129 1.00 15.00 H new ATOM 0 HG12 ILE A 17 2.110 -1.822 -2.440 1.00 15.00 H new ATOM 0 HG13 ILE A 17 0.698 -1.366 -1.508 1.00 15.00 H new ATOM 0 HG21 ILE A 17 -1.032 -0.352 -2.637 1.00 15.00 H new ATOM 0 HG22 ILE A 17 -1.607 -0.966 -4.205 1.00 15.00 H new ATOM 0 HG23 ILE A 17 -1.680 -2.005 -2.762 1.00 15.00 H new ATOM 0 HD11 ILE A 17 1.496 -3.581 -0.865 1.00 15.00 H new ATOM 0 HD12 ILE A 17 -0.124 -3.688 -1.594 1.00 15.00 H new ATOM 0 HD13 ILE A 17 1.310 -4.150 -2.540 1.00 15.00 H new ATOM 261 N LEU A 18 -0.482 -1.972 -6.524 1.00 15.00 N ATOM 262 CA LEU A 18 -1.344 -1.663 -7.649 1.00 15.00 C ATOM 263 C LEU A 18 -1.553 -2.903 -8.501 1.00 15.00 C ATOM 264 O LEU A 18 -2.665 -3.197 -8.933 1.00 15.00 O ATOM 265 CB LEU A 18 -0.682 -0.582 -8.488 1.00 15.00 C ATOM 266 CG LEU A 18 -0.401 0.728 -7.750 1.00 15.00 C ATOM 267 CD1 LEU A 18 0.319 1.711 -8.657 1.00 15.00 C ATOM 268 CD2 LEU A 18 -1.695 1.330 -7.223 1.00 15.00 C ATOM 0 H LEU A 18 0.415 -1.487 -6.546 1.00 15.00 H new ATOM 0 HA LEU A 18 -2.311 -1.318 -7.283 1.00 15.00 H new ATOM 0 HB2 LEU A 18 0.259 -0.971 -8.878 1.00 15.00 H new ATOM 0 HB3 LEU A 18 -1.319 -0.368 -9.346 1.00 15.00 H new ATOM 0 HG LEU A 18 0.248 0.512 -6.901 1.00 15.00 H new ATOM 0 HD11 LEU A 18 0.509 2.636 -8.113 1.00 15.00 H new ATOM 0 HD12 LEU A 18 1.266 1.280 -8.982 1.00 15.00 H new ATOM 0 HD13 LEU A 18 -0.301 1.924 -9.528 1.00 15.00 H new ATOM 0 HD21 LEU A 18 -1.477 2.261 -6.701 1.00 15.00 H new ATOM 0 HD22 LEU A 18 -2.369 1.530 -8.056 1.00 15.00 H new ATOM 0 HD23 LEU A 18 -2.168 0.630 -6.534 1.00 15.00 H new ATOM 280 N ASN A 19 -0.465 -3.627 -8.729 1.00 15.00 N ATOM 281 CA ASN A 19 -0.507 -4.848 -9.518 1.00 15.00 C ATOM 282 C ASN A 19 -1.348 -5.888 -8.801 1.00 15.00 C ATOM 283 O ASN A 19 -2.295 -6.437 -9.363 1.00 15.00 O ATOM 284 CB ASN A 19 0.905 -5.386 -9.751 1.00 15.00 C ATOM 285 CG ASN A 19 1.593 -4.718 -10.925 1.00 15.00 C ATOM 286 OD1 ASN A 19 1.637 -3.492 -11.019 1.00 15.00 O ATOM 287 ND2 ASN A 19 2.139 -5.526 -11.828 1.00 15.00 N ATOM 0 H ASN A 19 0.461 -3.387 -8.376 1.00 15.00 H new ATOM 0 HA ASN A 19 -0.954 -4.626 -10.487 1.00 15.00 H new ATOM 0 HB2 ASN A 19 1.501 -5.236 -8.851 1.00 15.00 H new ATOM 0 HB3 ASN A 19 0.857 -6.461 -9.926 1.00 15.00 H new ATOM 0 HD21 ASN A 19 2.618 -5.135 -12.639 1.00 15.00 H new ATOM 0 HD22 ASN A 19 2.079 -6.537 -11.710 1.00 15.00 H new ATOM 294 N GLU A 20 -1.004 -6.141 -7.544 1.00 15.00 N ATOM 295 CA GLU A 20 -1.737 -7.101 -6.738 1.00 15.00 C ATOM 296 C GLU A 20 -3.169 -6.628 -6.542 1.00 15.00 C ATOM 297 O GLU A 20 -4.083 -7.438 -6.387 1.00 15.00 O ATOM 298 CB GLU A 20 -1.059 -7.296 -5.378 1.00 15.00 C ATOM 299 CG GLU A 20 0.035 -8.352 -5.386 1.00 15.00 C ATOM 300 CD GLU A 20 1.044 -8.143 -6.499 1.00 15.00 C ATOM 301 OE1 GLU A 20 0.634 -8.120 -7.678 1.00 15.00 O ATOM 302 OE2 GLU A 20 2.246 -8.005 -6.191 1.00 15.00 O ATOM 0 H GLU A 20 -0.223 -5.694 -7.064 1.00 15.00 H new ATOM 0 HA GLU A 20 -1.743 -8.058 -7.261 1.00 15.00 H new ATOM 0 HB2 GLU A 20 -0.633 -6.346 -5.055 1.00 15.00 H new ATOM 0 HB3 GLU A 20 -1.814 -7.573 -4.642 1.00 15.00 H new ATOM 0 HG2 GLU A 20 0.552 -8.341 -4.426 1.00 15.00 H new ATOM 0 HG3 GLU A 20 -0.418 -9.338 -5.493 1.00 15.00 H new ATOM 309 N TYR A 21 -3.366 -5.309 -6.561 1.00 15.00 N ATOM 310 CA TYR A 21 -4.705 -4.752 -6.396 1.00 15.00 C ATOM 311 C TYR A 21 -5.476 -4.818 -7.705 1.00 15.00 C ATOM 312 O TYR A 21 -6.673 -5.106 -7.725 1.00 15.00 O ATOM 313 CB TYR A 21 -4.640 -3.298 -5.921 1.00 15.00 C ATOM 314 CG TYR A 21 -5.931 -2.544 -6.160 1.00 15.00 C ATOM 315 CD1 TYR A 21 -7.137 -3.048 -5.695 1.00 15.00 C ATOM 316 CD2 TYR A 21 -5.947 -1.346 -6.866 1.00 15.00 C ATOM 317 CE1 TYR A 21 -8.325 -2.382 -5.921 1.00 15.00 C ATOM 318 CE2 TYR A 21 -7.133 -0.672 -7.098 1.00 15.00 C ATOM 319 CZ TYR A 21 -8.318 -1.194 -6.624 1.00 15.00 C ATOM 320 OH TYR A 21 -9.499 -0.527 -6.853 1.00 15.00 O ATOM 0 H TYR A 21 -2.627 -4.618 -6.687 1.00 15.00 H new ATOM 0 HA TYR A 21 -5.219 -5.348 -5.642 1.00 15.00 H new ATOM 0 HB2 TYR A 21 -4.405 -3.278 -4.857 1.00 15.00 H new ATOM 0 HB3 TYR A 21 -3.826 -2.788 -6.437 1.00 15.00 H new ATOM 0 HD1 TYR A 21 -7.147 -3.978 -5.146 1.00 15.00 H new ATOM 0 HD2 TYR A 21 -5.020 -0.936 -7.239 1.00 15.00 H new ATOM 0 HE1 TYR A 21 -9.254 -2.788 -5.550 1.00 15.00 H new ATOM 0 HE2 TYR A 21 -7.131 0.258 -7.647 1.00 15.00 H new ATOM 0 HH TYR A 21 -10.124 -0.707 -6.120 1.00 15.00 H new ATOM 330 N PHE A 22 -4.781 -4.525 -8.792 1.00 15.00 N ATOM 331 CA PHE A 22 -5.387 -4.519 -10.110 1.00 15.00 C ATOM 332 C PHE A 22 -5.560 -5.932 -10.650 1.00 15.00 C ATOM 333 O PHE A 22 -6.673 -6.357 -10.955 1.00 15.00 O ATOM 334 CB PHE A 22 -4.541 -3.691 -11.072 1.00 15.00 C ATOM 335 CG PHE A 22 -5.117 -3.614 -12.452 1.00 15.00 C ATOM 336 CD1 PHE A 22 -6.479 -3.753 -12.654 1.00 15.00 C ATOM 337 CD2 PHE A 22 -4.297 -3.406 -13.547 1.00 15.00 C ATOM 338 CE1 PHE A 22 -7.018 -3.689 -13.919 1.00 15.00 C ATOM 339 CE2 PHE A 22 -4.829 -3.341 -14.821 1.00 15.00 C ATOM 340 CZ PHE A 22 -6.193 -3.482 -15.008 1.00 15.00 C ATOM 0 H PHE A 22 -3.789 -4.287 -8.785 1.00 15.00 H new ATOM 0 HA PHE A 22 -6.376 -4.070 -10.022 1.00 15.00 H new ATOM 0 HB2 PHE A 22 -4.433 -2.682 -10.674 1.00 15.00 H new ATOM 0 HB3 PHE A 22 -3.541 -4.120 -11.127 1.00 15.00 H new ATOM 0 HD1 PHE A 22 -7.129 -3.914 -11.806 1.00 15.00 H new ATOM 0 HD2 PHE A 22 -3.232 -3.293 -13.405 1.00 15.00 H new ATOM 0 HE1 PHE A 22 -8.083 -3.800 -14.060 1.00 15.00 H new ATOM 0 HE2 PHE A 22 -4.181 -3.180 -15.670 1.00 15.00 H new ATOM 0 HZ PHE A 22 -6.611 -3.430 -16.002 1.00 15.00 H new ATOM 350 N TYR A 23 -4.454 -6.657 -10.771 1.00 15.00 N ATOM 351 CA TYR A 23 -4.492 -8.022 -11.280 1.00 15.00 C ATOM 352 C TYR A 23 -5.564 -8.834 -10.559 1.00 15.00 C ATOM 353 O TYR A 23 -6.544 -9.259 -11.166 1.00 15.00 O ATOM 354 CB TYR A 23 -3.126 -8.689 -11.102 1.00 15.00 C ATOM 355 CG TYR A 23 -2.093 -8.264 -12.126 1.00 15.00 C ATOM 356 CD1 TYR A 23 -2.216 -7.063 -12.818 1.00 15.00 C ATOM 357 CD2 TYR A 23 -0.990 -9.064 -12.396 1.00 15.00 C ATOM 358 CE1 TYR A 23 -1.272 -6.675 -13.749 1.00 15.00 C ATOM 359 CE2 TYR A 23 -0.042 -8.683 -13.326 1.00 15.00 C ATOM 360 CZ TYR A 23 -0.187 -7.489 -13.999 1.00 15.00 C ATOM 361 OH TYR A 23 0.756 -7.106 -14.925 1.00 15.00 O ATOM 0 H TYR A 23 -3.522 -6.323 -10.524 1.00 15.00 H new ATOM 0 HA TYR A 23 -4.736 -7.987 -12.342 1.00 15.00 H new ATOM 0 HB2 TYR A 23 -2.749 -8.461 -10.105 1.00 15.00 H new ATOM 0 HB3 TYR A 23 -3.252 -9.770 -11.155 1.00 15.00 H new ATOM 0 HD1 TYR A 23 -3.064 -6.423 -12.624 1.00 15.00 H new ATOM 0 HD2 TYR A 23 -0.871 -10.000 -11.870 1.00 15.00 H new ATOM 0 HE1 TYR A 23 -1.383 -5.740 -14.278 1.00 15.00 H new ATOM 0 HE2 TYR A 23 0.809 -9.318 -13.525 1.00 15.00 H new ATOM 0 HH TYR A 23 1.456 -7.790 -14.981 1.00 15.00 H new ATOM 371 N SER A 24 -5.381 -9.011 -9.251 1.00 15.00 N ATOM 372 CA SER A 24 -6.338 -9.724 -8.410 1.00 15.00 C ATOM 373 C SER A 24 -7.755 -9.387 -8.827 1.00 15.00 C ATOM 374 O SER A 24 -8.672 -10.205 -8.746 1.00 15.00 O ATOM 375 CB SER A 24 -6.126 -9.362 -6.939 1.00 15.00 C ATOM 376 OG SER A 24 -6.555 -8.037 -6.674 1.00 15.00 O ATOM 0 H SER A 24 -4.565 -8.664 -8.746 1.00 15.00 H new ATOM 0 HA SER A 24 -6.178 -10.795 -8.535 1.00 15.00 H new ATOM 0 HB2 SER A 24 -6.676 -10.059 -6.307 1.00 15.00 H new ATOM 0 HB3 SER A 24 -5.071 -9.464 -6.684 1.00 15.00 H new ATOM 0 HG SER A 24 -5.781 -7.436 -6.673 1.00 15.00 H new ATOM 382 N HIS A 25 -7.905 -8.137 -9.231 1.00 15.00 N ATOM 383 CA HIS A 25 -9.177 -7.584 -9.626 1.00 15.00 C ATOM 384 C HIS A 25 -9.206 -7.226 -11.111 1.00 15.00 C ATOM 385 O HIS A 25 -9.827 -6.240 -11.509 1.00 15.00 O ATOM 386 CB HIS A 25 -9.401 -6.342 -8.786 1.00 15.00 C ATOM 387 CG HIS A 25 -9.677 -6.640 -7.345 1.00 15.00 C ATOM 388 ND1 HIS A 25 -10.703 -7.461 -6.929 1.00 15.00 N ATOM 389 CD2 HIS A 25 -9.043 -6.231 -6.221 1.00 15.00 C ATOM 390 CE1 HIS A 25 -10.690 -7.542 -5.611 1.00 15.00 C ATOM 391 NE2 HIS A 25 -9.692 -6.806 -5.156 1.00 15.00 N ATOM 0 H HIS A 25 -7.133 -7.474 -9.293 1.00 15.00 H new ATOM 0 HA HIS A 25 -9.964 -8.321 -9.468 1.00 15.00 H new ATOM 0 HB2 HIS A 25 -8.521 -5.702 -8.855 1.00 15.00 H new ATOM 0 HB3 HIS A 25 -10.238 -5.779 -9.200 1.00 15.00 H new ATOM 0 HD2 HIS A 25 -8.187 -5.575 -6.171 1.00 15.00 H new ATOM 0 HE1 HIS A 25 -11.379 -8.114 -5.007 1.00 15.00 H new ATOM 0 HE2 HIS A 25 -9.444 -6.685 -4.174 1.00 15.00 H new ATOM 400 N LEU A 26 -8.523 -8.023 -11.921 1.00 15.00 N ATOM 401 CA LEU A 26 -8.458 -7.788 -13.361 1.00 15.00 C ATOM 402 C LEU A 26 -9.800 -8.056 -14.049 1.00 15.00 C ATOM 403 O LEU A 26 -9.949 -7.810 -15.245 1.00 15.00 O ATOM 404 CB LEU A 26 -7.361 -8.659 -13.978 1.00 15.00 C ATOM 405 CG LEU A 26 -7.349 -8.715 -15.507 1.00 15.00 C ATOM 406 CD1 LEU A 26 -7.216 -7.318 -16.093 1.00 15.00 C ATOM 407 CD2 LEU A 26 -6.219 -9.609 -15.991 1.00 15.00 C ATOM 0 H LEU A 26 -8.003 -8.842 -11.606 1.00 15.00 H new ATOM 0 HA LEU A 26 -8.221 -6.736 -13.516 1.00 15.00 H new ATOM 0 HB2 LEU A 26 -6.393 -8.290 -13.637 1.00 15.00 H new ATOM 0 HB3 LEU A 26 -7.468 -9.674 -13.595 1.00 15.00 H new ATOM 0 HG LEU A 26 -8.295 -9.137 -15.847 1.00 15.00 H new ATOM 0 HD11 LEU A 26 -7.209 -7.379 -17.181 1.00 15.00 H new ATOM 0 HD12 LEU A 26 -8.058 -6.706 -15.769 1.00 15.00 H new ATOM 0 HD13 LEU A 26 -6.285 -6.866 -15.749 1.00 15.00 H new ATOM 0 HD21 LEU A 26 -6.221 -9.641 -17.081 1.00 15.00 H new ATOM 0 HD22 LEU A 26 -5.266 -9.212 -15.641 1.00 15.00 H new ATOM 0 HD23 LEU A 26 -6.358 -10.616 -15.599 1.00 15.00 H new ATOM 419 N SER A 27 -10.776 -8.562 -13.298 1.00 15.00 N ATOM 420 CA SER A 27 -12.093 -8.857 -13.856 1.00 15.00 C ATOM 421 C SER A 27 -12.669 -7.644 -14.585 1.00 15.00 C ATOM 422 O SER A 27 -13.334 -7.782 -15.612 1.00 15.00 O ATOM 423 CB SER A 27 -13.050 -9.298 -12.749 1.00 15.00 C ATOM 424 OG SER A 27 -13.081 -10.711 -12.632 1.00 15.00 O ATOM 0 H SER A 27 -10.680 -8.775 -12.305 1.00 15.00 H new ATOM 0 HA SER A 27 -11.977 -9.667 -14.576 1.00 15.00 H new ATOM 0 HB2 SER A 27 -12.741 -8.858 -11.801 1.00 15.00 H new ATOM 0 HB3 SER A 27 -14.052 -8.926 -12.961 1.00 15.00 H new ATOM 0 HG SER A 27 -13.699 -10.966 -11.916 1.00 15.00 H new ATOM 430 N ASN A 28 -12.408 -6.458 -14.045 1.00 15.00 N ATOM 431 CA ASN A 28 -12.897 -5.218 -14.637 1.00 15.00 C ATOM 432 C ASN A 28 -12.378 -4.014 -13.859 1.00 15.00 C ATOM 433 O ASN A 28 -13.071 -3.494 -12.991 1.00 15.00 O ATOM 434 CB ASN A 28 -14.427 -5.207 -14.658 1.00 15.00 C ATOM 435 CG ASN A 28 -15.025 -5.580 -13.315 1.00 15.00 C ATOM 436 OD1 ASN A 28 -14.609 -6.554 -12.687 1.00 15.00 O ATOM 437 ND2 ASN A 28 -16.006 -4.805 -12.869 1.00 15.00 N ATOM 0 H ASN A 28 -11.859 -6.329 -13.195 1.00 15.00 H new ATOM 0 HA ASN A 28 -12.529 -5.158 -15.661 1.00 15.00 H new ATOM 0 HB2 ASN A 28 -14.777 -4.216 -14.946 1.00 15.00 H new ATOM 0 HB3 ASN A 28 -14.783 -5.904 -15.417 1.00 15.00 H new ATOM 0 HD21 ASN A 28 -16.447 -5.006 -11.972 1.00 15.00 H new ATOM 0 HD22 ASN A 28 -16.318 -4.008 -13.424 1.00 15.00 H new ATOM 444 N PRO A 29 -11.146 -3.560 -14.169 1.00 15.00 N ATOM 445 CA PRO A 29 -10.501 -2.420 -13.512 1.00 15.00 C ATOM 446 C PRO A 29 -11.483 -1.337 -13.075 1.00 15.00 C ATOM 447 O PRO A 29 -12.250 -0.813 -13.883 1.00 15.00 O ATOM 448 CB PRO A 29 -9.545 -1.885 -14.591 1.00 15.00 C ATOM 449 CG PRO A 29 -9.579 -2.881 -15.718 1.00 15.00 C ATOM 450 CD PRO A 29 -10.266 -4.112 -15.197 1.00 15.00 C ATOM 0 HA PRO A 29 -10.007 -2.719 -12.588 1.00 15.00 H new ATOM 0 HB2 PRO A 29 -9.859 -0.899 -14.934 1.00 15.00 H new ATOM 0 HB3 PRO A 29 -8.534 -1.779 -14.197 1.00 15.00 H new ATOM 0 HG2 PRO A 29 -10.115 -2.474 -16.576 1.00 15.00 H new ATOM 0 HG3 PRO A 29 -8.569 -3.116 -16.055 1.00 15.00 H new ATOM 0 HD2 PRO A 29 -10.825 -4.628 -15.978 1.00 15.00 H new ATOM 0 HD3 PRO A 29 -9.558 -4.830 -14.784 1.00 15.00 H new ATOM 458 N TYR A 30 -11.459 -1.021 -11.780 1.00 15.00 N ATOM 459 CA TYR A 30 -12.343 -0.023 -11.219 1.00 15.00 C ATOM 460 C TYR A 30 -11.563 1.003 -10.402 1.00 15.00 C ATOM 461 O TYR A 30 -11.782 1.147 -9.199 1.00 15.00 O ATOM 462 CB TYR A 30 -13.429 -0.660 -10.341 1.00 15.00 C ATOM 463 CG TYR A 30 -13.061 -1.986 -9.717 1.00 15.00 C ATOM 464 CD1 TYR A 30 -12.435 -2.962 -10.461 1.00 15.00 C ATOM 465 CD2 TYR A 30 -13.359 -2.261 -8.391 1.00 15.00 C ATOM 466 CE1 TYR A 30 -12.103 -4.183 -9.915 1.00 15.00 C ATOM 467 CE2 TYR A 30 -13.037 -3.482 -7.828 1.00 15.00 C ATOM 468 CZ TYR A 30 -12.408 -4.440 -8.595 1.00 15.00 C ATOM 469 OH TYR A 30 -12.092 -5.658 -8.042 1.00 15.00 O ATOM 0 H TYR A 30 -10.829 -1.451 -11.103 1.00 15.00 H new ATOM 0 HA TYR A 30 -12.826 0.481 -12.057 1.00 15.00 H new ATOM 0 HB2 TYR A 30 -13.685 0.039 -9.545 1.00 15.00 H new ATOM 0 HB3 TYR A 30 -14.326 -0.798 -10.945 1.00 15.00 H new ATOM 0 HD1 TYR A 30 -12.199 -2.766 -11.496 1.00 15.00 H new ATOM 0 HD2 TYR A 30 -13.850 -1.510 -7.789 1.00 15.00 H new ATOM 0 HE1 TYR A 30 -11.608 -4.932 -10.516 1.00 15.00 H new ATOM 0 HE2 TYR A 30 -13.276 -3.684 -6.794 1.00 15.00 H new ATOM 0 HH TYR A 30 -11.998 -5.562 -7.071 1.00 15.00 H new ATOM 479 N PRO A 31 -10.638 1.734 -11.042 1.00 15.00 N ATOM 480 CA PRO A 31 -9.827 2.746 -10.361 1.00 15.00 C ATOM 481 C PRO A 31 -10.619 4.015 -10.065 1.00 15.00 C ATOM 482 O PRO A 31 -10.254 5.105 -10.508 1.00 15.00 O ATOM 483 CB PRO A 31 -8.714 3.028 -11.367 1.00 15.00 C ATOM 484 CG PRO A 31 -9.347 2.774 -12.691 1.00 15.00 C ATOM 485 CD PRO A 31 -10.305 1.633 -12.477 1.00 15.00 C ATOM 0 HA PRO A 31 -9.468 2.405 -9.390 1.00 15.00 H new ATOM 0 HB2 PRO A 31 -8.355 4.054 -11.287 1.00 15.00 H new ATOM 0 HB3 PRO A 31 -7.855 2.377 -11.204 1.00 15.00 H new ATOM 0 HG2 PRO A 31 -9.869 3.660 -13.051 1.00 15.00 H new ATOM 0 HG3 PRO A 31 -8.597 2.520 -13.440 1.00 15.00 H new ATOM 0 HD2 PRO A 31 -11.192 1.729 -13.104 1.00 15.00 H new ATOM 0 HD3 PRO A 31 -9.848 0.673 -12.717 1.00 15.00 H new ATOM 493 N SER A 32 -11.703 3.866 -9.312 1.00 15.00 N ATOM 494 CA SER A 32 -12.548 4.999 -8.956 1.00 15.00 C ATOM 495 C SER A 32 -11.795 5.974 -8.058 1.00 15.00 C ATOM 496 O SER A 32 -10.576 5.882 -7.910 1.00 15.00 O ATOM 497 CB SER A 32 -13.819 4.513 -8.257 1.00 15.00 C ATOM 498 OG SER A 32 -14.968 4.783 -9.041 1.00 15.00 O ATOM 0 H SER A 32 -12.017 2.971 -8.936 1.00 15.00 H new ATOM 0 HA SER A 32 -12.826 5.520 -9.872 1.00 15.00 H new ATOM 0 HB2 SER A 32 -13.747 3.442 -8.069 1.00 15.00 H new ATOM 0 HB3 SER A 32 -13.914 5.002 -7.287 1.00 15.00 H new ATOM 0 HG SER A 32 -15.767 4.461 -8.573 1.00 15.00 H new ATOM 504 N GLU A 33 -12.528 6.908 -7.464 1.00 15.00 N ATOM 505 CA GLU A 33 -11.929 7.901 -6.582 1.00 15.00 C ATOM 506 C GLU A 33 -11.525 7.279 -5.249 1.00 15.00 C ATOM 507 O GLU A 33 -10.459 7.577 -4.714 1.00 15.00 O ATOM 508 CB GLU A 33 -12.904 9.054 -6.345 1.00 15.00 C ATOM 509 CG GLU A 33 -13.159 9.898 -7.583 1.00 15.00 C ATOM 510 CD GLU A 33 -14.624 10.247 -7.760 1.00 15.00 C ATOM 511 OE1 GLU A 33 -15.481 9.461 -7.305 1.00 15.00 O ATOM 512 OE2 GLU A 33 -14.914 11.307 -8.355 1.00 15.00 O ATOM 0 H GLU A 33 -13.538 6.998 -7.577 1.00 15.00 H new ATOM 0 HA GLU A 33 -11.031 8.284 -7.067 1.00 15.00 H new ATOM 0 HB2 GLU A 33 -13.852 8.650 -5.989 1.00 15.00 H new ATOM 0 HB3 GLU A 33 -12.513 9.693 -5.554 1.00 15.00 H new ATOM 0 HG2 GLU A 33 -12.576 10.817 -7.518 1.00 15.00 H new ATOM 0 HG3 GLU A 33 -12.809 9.360 -8.464 1.00 15.00 H new ATOM 519 N GLU A 34 -12.386 6.418 -4.716 1.00 15.00 N ATOM 520 CA GLU A 34 -12.119 5.760 -3.441 1.00 15.00 C ATOM 521 C GLU A 34 -11.005 4.725 -3.570 1.00 15.00 C ATOM 522 O GLU A 34 -10.328 4.404 -2.592 1.00 15.00 O ATOM 523 CB GLU A 34 -13.390 5.093 -2.913 1.00 15.00 C ATOM 524 CG GLU A 34 -13.296 4.675 -1.454 1.00 15.00 C ATOM 525 CD GLU A 34 -13.309 3.170 -1.276 1.00 15.00 C ATOM 526 OE1 GLU A 34 -12.395 2.502 -1.801 1.00 15.00 O ATOM 527 OE2 GLU A 34 -14.235 2.659 -0.611 1.00 15.00 O ATOM 0 H GLU A 34 -13.274 6.160 -5.146 1.00 15.00 H new ATOM 0 HA GLU A 34 -11.792 6.524 -2.735 1.00 15.00 H new ATOM 0 HB2 GLU A 34 -14.228 5.780 -3.032 1.00 15.00 H new ATOM 0 HB3 GLU A 34 -13.609 4.215 -3.521 1.00 15.00 H new ATOM 0 HG2 GLU A 34 -12.381 5.080 -1.022 1.00 15.00 H new ATOM 0 HG3 GLU A 34 -14.129 5.110 -0.901 1.00 15.00 H new ATOM 534 N ALA A 35 -10.815 4.204 -4.778 1.00 15.00 N ATOM 535 CA ALA A 35 -9.784 3.207 -5.026 1.00 15.00 C ATOM 536 C ALA A 35 -8.423 3.865 -5.218 1.00 15.00 C ATOM 537 O ALA A 35 -7.435 3.456 -4.612 1.00 15.00 O ATOM 538 CB ALA A 35 -10.141 2.367 -6.243 1.00 15.00 C ATOM 0 H ALA A 35 -11.363 4.457 -5.600 1.00 15.00 H new ATOM 0 HA ALA A 35 -9.726 2.555 -4.154 1.00 15.00 H new ATOM 0 HB1 ALA A 35 -9.360 1.626 -6.415 1.00 15.00 H new ATOM 0 HB2 ALA A 35 -11.090 1.860 -6.070 1.00 15.00 H new ATOM 0 HB3 ALA A 35 -10.229 3.012 -7.117 1.00 15.00 H new ATOM 544 N LYS A 36 -8.383 4.890 -6.062 1.00 15.00 N ATOM 545 CA LYS A 36 -7.142 5.607 -6.328 1.00 15.00 C ATOM 546 C LYS A 36 -6.648 6.307 -5.069 1.00 15.00 C ATOM 547 O LYS A 36 -5.466 6.237 -4.731 1.00 15.00 O ATOM 548 CB LYS A 36 -7.340 6.621 -7.457 1.00 15.00 C ATOM 549 CG LYS A 36 -8.512 7.564 -7.235 1.00 15.00 C ATOM 550 CD LYS A 36 -8.042 8.925 -6.751 1.00 15.00 C ATOM 551 CE LYS A 36 -9.108 9.990 -6.960 1.00 15.00 C ATOM 552 NZ LYS A 36 -9.881 10.255 -5.715 1.00 15.00 N ATOM 0 H LYS A 36 -9.193 5.242 -6.572 1.00 15.00 H new ATOM 0 HA LYS A 36 -6.389 4.883 -6.640 1.00 15.00 H new ATOM 0 HB2 LYS A 36 -6.429 7.209 -7.569 1.00 15.00 H new ATOM 0 HB3 LYS A 36 -7.490 6.084 -8.393 1.00 15.00 H new ATOM 0 HG2 LYS A 36 -9.070 7.679 -8.164 1.00 15.00 H new ATOM 0 HG3 LYS A 36 -9.196 7.132 -6.504 1.00 15.00 H new ATOM 0 HD2 LYS A 36 -7.786 8.868 -5.693 1.00 15.00 H new ATOM 0 HD3 LYS A 36 -7.134 9.208 -7.284 1.00 15.00 H new ATOM 0 HE2 LYS A 36 -8.637 10.913 -7.298 1.00 15.00 H new ATOM 0 HE3 LYS A 36 -9.789 9.672 -7.749 1.00 15.00 H new ATOM 0 HZ1 LYS A 36 -10.819 10.630 -5.962 1.00 15.00 H new ATOM 0 HZ2 LYS A 36 -9.992 9.370 -5.180 1.00 15.00 H new ATOM 0 HZ3 LYS A 36 -9.373 10.950 -5.132 1.00 15.00 H new ATOM 566 N GLU A 37 -7.561 6.973 -4.369 1.00 15.00 N ATOM 567 CA GLU A 37 -7.214 7.673 -3.140 1.00 15.00 C ATOM 568 C GLU A 37 -6.692 6.689 -2.101 1.00 15.00 C ATOM 569 O GLU A 37 -5.679 6.938 -1.450 1.00 15.00 O ATOM 570 CB GLU A 37 -8.429 8.418 -2.585 1.00 15.00 C ATOM 571 CG GLU A 37 -8.510 9.868 -3.033 1.00 15.00 C ATOM 572 CD GLU A 37 -7.868 10.820 -2.044 1.00 15.00 C ATOM 573 OE1 GLU A 37 -8.025 10.602 -0.824 1.00 15.00 O ATOM 574 OE2 GLU A 37 -7.208 11.782 -2.489 1.00 15.00 O ATOM 0 H GLU A 37 -8.544 7.042 -4.632 1.00 15.00 H new ATOM 0 HA GLU A 37 -6.432 8.398 -3.368 1.00 15.00 H new ATOM 0 HB2 GLU A 37 -9.336 7.899 -2.896 1.00 15.00 H new ATOM 0 HB3 GLU A 37 -8.399 8.384 -1.496 1.00 15.00 H new ATOM 0 HG2 GLU A 37 -8.022 9.973 -4.002 1.00 15.00 H new ATOM 0 HG3 GLU A 37 -9.555 10.144 -3.171 1.00 15.00 H new ATOM 581 N GLU A 38 -7.390 5.564 -1.960 1.00 15.00 N ATOM 582 CA GLU A 38 -6.997 4.535 -1.005 1.00 15.00 C ATOM 583 C GLU A 38 -5.540 4.136 -1.212 1.00 15.00 C ATOM 584 O GLU A 38 -4.723 4.241 -0.297 1.00 15.00 O ATOM 585 CB GLU A 38 -7.897 3.308 -1.146 1.00 15.00 C ATOM 586 CG GLU A 38 -9.167 3.385 -0.314 1.00 15.00 C ATOM 587 CD GLU A 38 -8.906 3.205 1.168 1.00 15.00 C ATOM 588 OE1 GLU A 38 -8.342 4.130 1.789 1.00 15.00 O ATOM 589 OE2 GLU A 38 -9.266 2.138 1.709 1.00 15.00 O ATOM 0 H GLU A 38 -8.230 5.344 -2.495 1.00 15.00 H new ATOM 0 HA GLU A 38 -7.107 4.943 -0.000 1.00 15.00 H new ATOM 0 HB2 GLU A 38 -8.167 3.184 -2.195 1.00 15.00 H new ATOM 0 HB3 GLU A 38 -7.335 2.420 -0.855 1.00 15.00 H new ATOM 0 HG2 GLU A 38 -9.647 4.349 -0.480 1.00 15.00 H new ATOM 0 HG3 GLU A 38 -9.865 2.619 -0.652 1.00 15.00 H new ATOM 596 N LEU A 39 -5.219 3.687 -2.421 1.00 15.00 N ATOM 597 CA LEU A 39 -3.853 3.288 -2.739 1.00 15.00 C ATOM 598 C LEU A 39 -2.909 4.471 -2.581 1.00 15.00 C ATOM 599 O LEU A 39 -1.774 4.319 -2.132 1.00 15.00 O ATOM 600 CB LEU A 39 -3.767 2.751 -4.168 1.00 15.00 C ATOM 601 CG LEU A 39 -4.802 1.685 -4.528 1.00 15.00 C ATOM 602 CD1 LEU A 39 -4.803 1.431 -6.027 1.00 15.00 C ATOM 603 CD2 LEU A 39 -4.525 0.398 -3.766 1.00 15.00 C ATOM 0 H LEU A 39 -5.881 3.591 -3.191 1.00 15.00 H new ATOM 0 HA LEU A 39 -3.559 2.498 -2.048 1.00 15.00 H new ATOM 0 HB2 LEU A 39 -3.874 3.587 -4.860 1.00 15.00 H new ATOM 0 HB3 LEU A 39 -2.772 2.335 -4.323 1.00 15.00 H new ATOM 0 HG LEU A 39 -5.789 2.048 -4.241 1.00 15.00 H new ATOM 0 HD11 LEU A 39 -5.545 0.670 -6.267 1.00 15.00 H new ATOM 0 HD12 LEU A 39 -5.048 2.354 -6.552 1.00 15.00 H new ATOM 0 HD13 LEU A 39 -3.817 1.087 -6.338 1.00 15.00 H new ATOM 0 HD21 LEU A 39 -5.271 -0.351 -4.033 1.00 15.00 H new ATOM 0 HD22 LEU A 39 -3.532 0.029 -4.023 1.00 15.00 H new ATOM 0 HD23 LEU A 39 -4.574 0.592 -2.694 1.00 15.00 H new ATOM 615 N ALA A 40 -3.392 5.651 -2.958 1.00 15.00 N ATOM 616 CA ALA A 40 -2.599 6.870 -2.864 1.00 15.00 C ATOM 617 C ALA A 40 -1.972 7.019 -1.480 1.00 15.00 C ATOM 618 O ALA A 40 -0.789 7.338 -1.357 1.00 15.00 O ATOM 619 CB ALA A 40 -3.456 8.083 -3.189 1.00 15.00 C ATOM 0 H ALA A 40 -4.331 5.788 -3.332 1.00 15.00 H new ATOM 0 HA ALA A 40 -1.791 6.802 -3.592 1.00 15.00 H new ATOM 0 HB1 ALA A 40 -2.851 8.986 -3.115 1.00 15.00 H new ATOM 0 HB2 ALA A 40 -3.848 7.991 -4.202 1.00 15.00 H new ATOM 0 HB3 ALA A 40 -4.285 8.143 -2.483 1.00 15.00 H new ATOM 625 N LYS A 41 -2.773 6.791 -0.442 1.00 15.00 N ATOM 626 CA LYS A 41 -2.292 6.903 0.932 1.00 15.00 C ATOM 627 C LYS A 41 -1.387 5.728 1.289 1.00 15.00 C ATOM 628 O LYS A 41 -0.377 5.895 1.973 1.00 15.00 O ATOM 629 CB LYS A 41 -3.468 6.966 1.914 1.00 15.00 C ATOM 630 CG LYS A 41 -4.669 7.744 1.396 1.00 15.00 C ATOM 631 CD LYS A 41 -4.263 9.093 0.823 1.00 15.00 C ATOM 632 CE LYS A 41 -3.704 10.009 1.899 1.00 15.00 C ATOM 633 NZ LYS A 41 -4.690 11.044 2.314 1.00 15.00 N ATOM 0 H LYS A 41 -3.755 6.528 -0.526 1.00 15.00 H new ATOM 0 HA LYS A 41 -1.716 7.825 1.008 1.00 15.00 H new ATOM 0 HB2 LYS A 41 -3.782 5.950 2.153 1.00 15.00 H new ATOM 0 HB3 LYS A 41 -3.127 7.421 2.844 1.00 15.00 H new ATOM 0 HG2 LYS A 41 -5.176 7.160 0.628 1.00 15.00 H new ATOM 0 HG3 LYS A 41 -5.383 7.893 2.206 1.00 15.00 H new ATOM 0 HD2 LYS A 41 -3.516 8.948 0.043 1.00 15.00 H new ATOM 0 HD3 LYS A 41 -5.126 9.565 0.354 1.00 15.00 H new ATOM 0 HE2 LYS A 41 -3.414 9.416 2.766 1.00 15.00 H new ATOM 0 HE3 LYS A 41 -2.801 10.495 1.529 1.00 15.00 H new ATOM 0 HZ1 LYS A 41 -4.270 11.648 3.049 1.00 15.00 H new ATOM 0 HZ2 LYS A 41 -4.948 11.627 1.492 1.00 15.00 H new ATOM 0 HZ3 LYS A 41 -5.541 10.581 2.691 1.00 15.00 H new ATOM 647 N LYS A 42 -1.757 4.538 0.822 1.00 15.00 N ATOM 648 CA LYS A 42 -0.981 3.331 1.091 1.00 15.00 C ATOM 649 C LYS A 42 0.500 3.551 0.798 1.00 15.00 C ATOM 650 O LYS A 42 1.360 3.251 1.626 1.00 15.00 O ATOM 651 CB LYS A 42 -1.511 2.166 0.251 1.00 15.00 C ATOM 652 CG LYS A 42 -1.958 0.973 1.080 1.00 15.00 C ATOM 653 CD LYS A 42 -3.474 0.894 1.172 1.00 15.00 C ATOM 654 CE LYS A 42 -3.946 0.865 2.616 1.00 15.00 C ATOM 655 NZ LYS A 42 -3.588 2.115 3.343 1.00 15.00 N ATOM 0 H LYS A 42 -2.591 4.384 0.255 1.00 15.00 H new ATOM 0 HA LYS A 42 -1.087 3.091 2.149 1.00 15.00 H new ATOM 0 HB2 LYS A 42 -2.350 2.515 -0.351 1.00 15.00 H new ATOM 0 HB3 LYS A 42 -0.733 1.845 -0.442 1.00 15.00 H new ATOM 0 HG2 LYS A 42 -1.571 0.055 0.637 1.00 15.00 H new ATOM 0 HG3 LYS A 42 -1.535 1.046 2.082 1.00 15.00 H new ATOM 0 HD2 LYS A 42 -3.915 1.750 0.662 1.00 15.00 H new ATOM 0 HD3 LYS A 42 -3.824 0.000 0.656 1.00 15.00 H new ATOM 0 HE2 LYS A 42 -5.027 0.727 2.642 1.00 15.00 H new ATOM 0 HE3 LYS A 42 -3.503 0.009 3.126 1.00 15.00 H new ATOM 0 HZ1 LYS A 42 -4.227 2.240 4.154 1.00 15.00 H new ATOM 0 HZ2 LYS A 42 -2.607 2.051 3.682 1.00 15.00 H new ATOM 0 HZ3 LYS A 42 -3.680 2.928 2.701 1.00 15.00 H new ATOM 669 N CYS A 43 0.787 4.079 -0.386 1.00 15.00 N ATOM 670 CA CYS A 43 2.166 4.342 -0.792 1.00 15.00 C ATOM 671 C CYS A 43 2.573 5.774 -0.453 1.00 15.00 C ATOM 672 O CYS A 43 3.756 6.066 -0.278 1.00 15.00 O ATOM 673 CB CYS A 43 2.371 4.076 -2.291 1.00 15.00 C ATOM 674 SG CYS A 43 0.881 4.215 -3.312 1.00 15.00 S ATOM 0 H CYS A 43 0.086 4.334 -1.082 1.00 15.00 H new ATOM 0 HA CYS A 43 2.803 3.656 -0.234 1.00 15.00 H new ATOM 0 HB2 CYS A 43 3.117 4.775 -2.669 1.00 15.00 H new ATOM 0 HB3 CYS A 43 2.783 3.074 -2.413 1.00 15.00 H new ATOM 0 HG CYS A 43 -0.155 3.843 -2.621 1.00 15.00 H new ATOM 680 N GLY A 44 1.589 6.662 -0.360 1.00 15.00 N ATOM 681 CA GLY A 44 1.871 8.050 -0.039 1.00 15.00 C ATOM 682 C GLY A 44 2.488 8.801 -1.202 1.00 15.00 C ATOM 683 O GLY A 44 3.385 9.623 -1.014 1.00 15.00 O ATOM 0 H GLY A 44 0.602 6.446 -0.501 1.00 15.00 H new ATOM 0 HA2 GLY A 44 0.947 8.545 0.260 1.00 15.00 H new ATOM 0 HA3 GLY A 44 2.546 8.092 0.816 1.00 15.00 H new ATOM 687 N ILE A 45 2.005 8.521 -2.407 1.00 15.00 N ATOM 688 CA ILE A 45 2.508 9.174 -3.606 1.00 15.00 C ATOM 689 C ILE A 45 1.567 10.296 -4.046 1.00 15.00 C ATOM 690 O ILE A 45 1.301 11.232 -3.292 1.00 15.00 O ATOM 691 CB ILE A 45 2.715 8.138 -4.738 1.00 15.00 C ATOM 692 CG1 ILE A 45 1.486 7.235 -4.881 1.00 15.00 C ATOM 693 CG2 ILE A 45 3.949 7.296 -4.459 1.00 15.00 C ATOM 694 CD1 ILE A 45 1.604 6.227 -6.003 1.00 15.00 C ATOM 0 H ILE A 45 1.262 7.843 -2.578 1.00 15.00 H new ATOM 0 HA ILE A 45 3.475 9.623 -3.378 1.00 15.00 H new ATOM 0 HB ILE A 45 2.856 8.679 -5.674 1.00 15.00 H new ATOM 0 HG12 ILE A 45 1.324 6.705 -3.943 1.00 15.00 H new ATOM 0 HG13 ILE A 45 0.607 7.856 -5.052 1.00 15.00 H new ATOM 0 HG21 ILE A 45 4.084 6.571 -5.262 1.00 15.00 H new ATOM 0 HG22 ILE A 45 4.825 7.942 -4.402 1.00 15.00 H new ATOM 0 HG23 ILE A 45 3.824 6.770 -3.513 1.00 15.00 H new ATOM 0 HD11 ILE A 45 0.698 5.622 -6.045 1.00 15.00 H new ATOM 0 HD12 ILE A 45 1.736 6.750 -6.950 1.00 15.00 H new ATOM 0 HD13 ILE A 45 2.463 5.581 -5.823 1.00 15.00 H new ATOM 706 N THR A 46 1.051 10.175 -5.249 1.00 15.00 N ATOM 707 CA THR A 46 0.121 11.116 -5.816 1.00 15.00 C ATOM 708 C THR A 46 -0.773 10.334 -6.724 1.00 15.00 C ATOM 709 O THR A 46 -0.313 9.500 -7.498 1.00 15.00 O ATOM 710 CB THR A 46 0.814 12.228 -6.592 1.00 15.00 C ATOM 711 OG1 THR A 46 1.630 11.694 -7.618 1.00 15.00 O ATOM 712 CG2 THR A 46 1.677 13.124 -5.730 1.00 15.00 C ATOM 0 H THR A 46 1.274 9.399 -5.872 1.00 15.00 H new ATOM 0 HA THR A 46 -0.434 11.609 -5.018 1.00 15.00 H new ATOM 0 HB THR A 46 0.006 12.831 -7.006 1.00 15.00 H new ATOM 0 HG1 THR A 46 2.413 11.259 -7.220 1.00 15.00 H new ATOM 0 HG21 THR A 46 2.138 13.892 -6.351 1.00 15.00 H new ATOM 0 HG22 THR A 46 1.060 13.597 -4.966 1.00 15.00 H new ATOM 0 HG23 THR A 46 2.455 12.529 -5.251 1.00 15.00 H new ATOM 720 N VAL A 47 -2.046 10.547 -6.593 1.00 15.00 N ATOM 721 CA VAL A 47 -2.995 9.816 -7.353 1.00 15.00 C ATOM 722 C VAL A 47 -2.664 9.736 -8.817 1.00 15.00 C ATOM 723 O VAL A 47 -2.920 8.718 -9.436 1.00 15.00 O ATOM 724 CB VAL A 47 -4.382 10.370 -7.105 1.00 15.00 C ATOM 725 CG1 VAL A 47 -5.198 10.472 -8.374 1.00 15.00 C ATOM 726 CG2 VAL A 47 -4.996 9.462 -6.101 1.00 15.00 C ATOM 0 H VAL A 47 -2.450 11.233 -5.955 1.00 15.00 H new ATOM 0 HA VAL A 47 -2.961 8.782 -7.010 1.00 15.00 H new ATOM 0 HB VAL A 47 -4.341 11.395 -6.736 1.00 15.00 H new ATOM 0 HG11 VAL A 47 -6.184 10.875 -8.141 1.00 15.00 H new ATOM 0 HG12 VAL A 47 -4.693 11.133 -9.079 1.00 15.00 H new ATOM 0 HG13 VAL A 47 -5.306 9.482 -8.818 1.00 15.00 H new ATOM 0 HG21 VAL A 47 -6.006 9.803 -5.872 1.00 15.00 H new ATOM 0 HG22 VAL A 47 -5.037 8.450 -6.503 1.00 15.00 H new ATOM 0 HG23 VAL A 47 -4.396 9.467 -5.191 1.00 15.00 H new ATOM 736 N SER A 48 -2.076 10.764 -9.378 1.00 15.00 N ATOM 737 CA SER A 48 -1.729 10.685 -10.786 1.00 15.00 C ATOM 738 C SER A 48 -0.838 9.470 -11.009 1.00 15.00 C ATOM 739 O SER A 48 -0.912 8.820 -12.050 1.00 15.00 O ATOM 740 CB SER A 48 -1.051 11.968 -11.271 1.00 15.00 C ATOM 741 OG SER A 48 -1.961 12.790 -11.983 1.00 15.00 O ATOM 0 H SER A 48 -1.833 11.636 -8.908 1.00 15.00 H new ATOM 0 HA SER A 48 -2.642 10.575 -11.371 1.00 15.00 H new ATOM 0 HB2 SER A 48 -0.652 12.517 -10.418 1.00 15.00 H new ATOM 0 HB3 SER A 48 -0.206 11.716 -11.912 1.00 15.00 H new ATOM 0 HG SER A 48 -1.503 13.604 -12.280 1.00 15.00 H new ATOM 747 N GLN A 49 -0.045 9.118 -9.991 1.00 15.00 N ATOM 748 CA GLN A 49 0.783 7.922 -10.072 1.00 15.00 C ATOM 749 C GLN A 49 -0.161 6.750 -10.284 1.00 15.00 C ATOM 750 O GLN A 49 0.077 5.869 -11.107 1.00 15.00 O ATOM 751 CB GLN A 49 1.610 7.724 -8.794 1.00 15.00 C ATOM 752 CG GLN A 49 3.081 8.067 -8.955 1.00 15.00 C ATOM 753 CD GLN A 49 3.302 9.498 -9.407 1.00 15.00 C ATOM 754 OE1 GLN A 49 3.485 10.398 -8.588 1.00 15.00 O ATOM 755 NE2 GLN A 49 3.291 9.712 -10.717 1.00 15.00 N ATOM 0 H GLN A 49 0.037 9.638 -9.117 1.00 15.00 H new ATOM 0 HA GLN A 49 1.496 8.009 -10.892 1.00 15.00 H new ATOM 0 HB2 GLN A 49 1.188 8.340 -8.000 1.00 15.00 H new ATOM 0 HB3 GLN A 49 1.522 6.686 -8.473 1.00 15.00 H new ATOM 0 HG2 GLN A 49 3.593 7.907 -8.006 1.00 15.00 H new ATOM 0 HG3 GLN A 49 3.531 7.388 -9.679 1.00 15.00 H new ATOM 0 HE21 GLN A 49 3.135 8.935 -11.359 1.00 15.00 H new ATOM 0 HE22 GLN A 49 3.438 10.653 -11.081 1.00 15.00 H new ATOM 764 N VAL A 50 -1.276 6.810 -9.556 1.00 15.00 N ATOM 765 CA VAL A 50 -2.340 5.832 -9.653 1.00 15.00 C ATOM 766 C VAL A 50 -3.252 6.227 -10.814 1.00 15.00 C ATOM 767 O VAL A 50 -3.398 5.487 -11.785 1.00 15.00 O ATOM 768 CB VAL A 50 -3.152 5.785 -8.338 1.00 15.00 C ATOM 769 CG1 VAL A 50 -4.393 4.913 -8.480 1.00 15.00 C ATOM 770 CG2 VAL A 50 -2.278 5.300 -7.189 1.00 15.00 C ATOM 0 H VAL A 50 -1.460 7.549 -8.878 1.00 15.00 H new ATOM 0 HA VAL A 50 -1.916 4.843 -9.826 1.00 15.00 H new ATOM 0 HB VAL A 50 -3.487 6.798 -8.115 1.00 15.00 H new ATOM 0 HG11 VAL A 50 -4.940 4.902 -7.537 1.00 15.00 H new ATOM 0 HG12 VAL A 50 -5.032 5.315 -9.266 1.00 15.00 H new ATOM 0 HG13 VAL A 50 -4.096 3.897 -8.738 1.00 15.00 H new ATOM 0 HG21 VAL A 50 -2.865 5.273 -6.271 1.00 15.00 H new ATOM 0 HG22 VAL A 50 -1.906 4.300 -7.412 1.00 15.00 H new ATOM 0 HG23 VAL A 50 -1.436 5.980 -7.061 1.00 15.00 H new ATOM 780 N SER A 51 -3.841 7.425 -10.710 1.00 15.00 N ATOM 781 CA SER A 51 -4.721 7.962 -11.742 1.00 15.00 C ATOM 782 C SER A 51 -4.234 7.607 -13.146 1.00 15.00 C ATOM 783 O SER A 51 -5.006 7.146 -13.988 1.00 15.00 O ATOM 784 CB SER A 51 -4.822 9.483 -11.605 1.00 15.00 C ATOM 785 OG SER A 51 -6.168 9.915 -11.706 1.00 15.00 O ATOM 0 H SER A 51 -3.718 8.044 -9.908 1.00 15.00 H new ATOM 0 HA SER A 51 -5.703 7.511 -11.602 1.00 15.00 H new ATOM 0 HB2 SER A 51 -4.408 9.793 -10.646 1.00 15.00 H new ATOM 0 HB3 SER A 51 -4.224 9.962 -12.380 1.00 15.00 H new ATOM 0 HG SER A 51 -6.206 10.890 -11.614 1.00 15.00 H new ATOM 791 N ASN A 52 -2.950 7.835 -13.390 1.00 15.00 N ATOM 792 CA ASN A 52 -2.352 7.554 -14.694 1.00 15.00 C ATOM 793 C ASN A 52 -2.104 6.059 -14.906 1.00 15.00 C ATOM 794 O ASN A 52 -2.220 5.558 -16.025 1.00 15.00 O ATOM 795 CB ASN A 52 -1.039 8.322 -14.847 1.00 15.00 C ATOM 796 CG ASN A 52 -1.237 9.824 -14.787 1.00 15.00 C ATOM 797 OD1 ASN A 52 -0.451 10.493 -13.952 1.00 15.00 O flip ATOM 798 ND2 ASN A 52 -2.088 10.377 -15.484 1.00 15.00 N flip ATOM 0 H ASN A 52 -2.299 8.214 -12.702 1.00 15.00 H new ATOM 0 HA ASN A 52 -3.063 7.882 -15.453 1.00 15.00 H new ATOM 0 HB2 ASN A 52 -0.349 8.018 -14.060 1.00 15.00 H new ATOM 0 HB3 ASN A 52 -0.575 8.057 -15.797 1.00 15.00 H new ATOM 0 HD21 ASN A 52 -2.671 9.824 -16.112 1.00 15.00 H new ATOM 0 HD22 ASN A 52 -2.210 11.388 -15.433 1.00 15.00 H new ATOM 805 N TRP A 53 -1.745 5.355 -13.838 1.00 15.00 N ATOM 806 CA TRP A 53 -1.458 3.924 -13.921 1.00 15.00 C ATOM 807 C TRP A 53 -2.641 3.135 -14.473 1.00 15.00 C ATOM 808 O TRP A 53 -2.547 2.512 -15.530 1.00 15.00 O ATOM 809 CB TRP A 53 -1.087 3.378 -12.543 1.00 15.00 C ATOM 810 CG TRP A 53 -0.397 2.050 -12.595 1.00 15.00 C ATOM 811 CD1 TRP A 53 0.933 1.824 -12.807 1.00 15.00 C ATOM 812 CD2 TRP A 53 -1.001 0.762 -12.429 1.00 15.00 C ATOM 813 NE1 TRP A 53 1.192 0.476 -12.784 1.00 15.00 N ATOM 814 CE2 TRP A 53 0.021 -0.198 -12.555 1.00 15.00 C ATOM 815 CE3 TRP A 53 -2.307 0.327 -12.187 1.00 15.00 C ATOM 816 CZ2 TRP A 53 -0.223 -1.564 -12.445 1.00 15.00 C ATOM 817 CZ3 TRP A 53 -2.547 -1.030 -12.079 1.00 15.00 C ATOM 818 CH2 TRP A 53 -1.510 -1.962 -12.208 1.00 15.00 C ATOM 0 H TRP A 53 -1.645 5.751 -12.903 1.00 15.00 H new ATOM 0 HA TRP A 53 -0.620 3.804 -14.607 1.00 15.00 H new ATOM 0 HB2 TRP A 53 -0.440 4.096 -12.038 1.00 15.00 H new ATOM 0 HB3 TRP A 53 -1.991 3.286 -11.941 1.00 15.00 H new ATOM 0 HD1 TRP A 53 1.673 2.594 -12.969 1.00 15.00 H new ATOM 0 HE1 TRP A 53 2.107 0.046 -12.916 1.00 15.00 H new ATOM 0 HE3 TRP A 53 -3.114 1.038 -12.086 1.00 15.00 H new ATOM 0 HZ2 TRP A 53 0.576 -2.284 -12.543 1.00 15.00 H new ATOM 0 HZ3 TRP A 53 -3.552 -1.378 -11.892 1.00 15.00 H new ATOM 0 HH2 TRP A 53 -1.731 -3.015 -12.119 1.00 15.00 H new ATOM 829 N PHE A 54 -3.744 3.151 -13.738 1.00 15.00 N ATOM 830 CA PHE A 54 -4.942 2.419 -14.136 1.00 15.00 C ATOM 831 C PHE A 54 -5.523 2.977 -15.427 1.00 15.00 C ATOM 832 O PHE A 54 -6.185 2.263 -16.175 1.00 15.00 O ATOM 833 CB PHE A 54 -5.995 2.455 -13.022 1.00 15.00 C ATOM 834 CG PHE A 54 -5.483 1.960 -11.698 1.00 15.00 C ATOM 835 CD1 PHE A 54 -4.563 2.703 -10.981 1.00 15.00 C ATOM 836 CD2 PHE A 54 -5.913 0.750 -11.176 1.00 15.00 C ATOM 837 CE1 PHE A 54 -4.076 2.260 -9.772 1.00 15.00 C ATOM 838 CE2 PHE A 54 -5.429 0.296 -9.962 1.00 15.00 C ATOM 839 CZ PHE A 54 -4.508 1.053 -9.259 1.00 15.00 C ATOM 0 H PHE A 54 -3.836 3.663 -12.861 1.00 15.00 H new ATOM 0 HA PHE A 54 -4.654 1.382 -14.311 1.00 15.00 H new ATOM 0 HB2 PHE A 54 -6.354 3.478 -12.905 1.00 15.00 H new ATOM 0 HB3 PHE A 54 -6.850 1.849 -13.321 1.00 15.00 H new ATOM 0 HD1 PHE A 54 -4.220 3.648 -11.377 1.00 15.00 H new ATOM 0 HD2 PHE A 54 -6.632 0.157 -11.722 1.00 15.00 H new ATOM 0 HE1 PHE A 54 -3.358 2.855 -9.226 1.00 15.00 H new ATOM 0 HE2 PHE A 54 -5.770 -0.648 -9.563 1.00 15.00 H new ATOM 0 HZ PHE A 54 -4.128 0.701 -8.311 1.00 15.00 H new ATOM 849 N GLY A 55 -5.273 4.252 -15.688 1.00 15.00 N ATOM 850 CA GLY A 55 -5.784 4.868 -16.899 1.00 15.00 C ATOM 851 C GLY A 55 -5.386 4.107 -18.152 1.00 15.00 C ATOM 852 O GLY A 55 -6.234 3.769 -18.978 1.00 15.00 O ATOM 0 H GLY A 55 -4.728 4.870 -15.087 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -6.871 4.925 -16.843 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.414 5.891 -16.966 1.00 15.00 H new ATOM 856 N ASN A 56 -4.092 3.836 -18.288 1.00 15.00 N ATOM 857 CA ASN A 56 -3.570 3.109 -19.440 1.00 15.00 C ATOM 858 C ASN A 56 -3.392 1.630 -19.118 1.00 15.00 C ATOM 859 O ASN A 56 -3.775 0.762 -19.903 1.00 15.00 O ATOM 860 CB ASN A 56 -2.234 3.709 -19.886 1.00 15.00 C ATOM 861 CG ASN A 56 -2.109 3.782 -21.395 1.00 15.00 C ATOM 862 OD1 ASN A 56 -1.150 3.274 -21.974 1.00 15.00 O ATOM 863 ND2 ASN A 56 -3.079 4.419 -22.040 1.00 15.00 N ATOM 0 H ASN A 56 -3.381 4.111 -17.610 1.00 15.00 H new ATOM 0 HA ASN A 56 -4.292 3.201 -20.251 1.00 15.00 H new ATOM 0 HB2 ASN A 56 -2.130 4.710 -19.467 1.00 15.00 H new ATOM 0 HB3 ASN A 56 -1.417 3.109 -19.485 1.00 15.00 H new ATOM 0 HD21 ASN A 56 -3.047 4.502 -23.056 1.00 15.00 H new ATOM 0 HD22 ASN A 56 -3.856 4.826 -21.519 1.00 15.00 H new ATOM 870 N LYS A 57 -2.805 1.350 -17.957 1.00 15.00 N ATOM 871 CA LYS A 57 -2.569 -0.020 -17.526 1.00 15.00 C ATOM 872 C LYS A 57 -3.863 -0.828 -17.514 1.00 15.00 C ATOM 873 O LYS A 57 -3.834 -2.059 -17.535 1.00 15.00 O ATOM 874 CB LYS A 57 -1.931 -0.036 -16.139 1.00 15.00 C ATOM 875 CG LYS A 57 -1.287 -1.362 -15.783 1.00 15.00 C ATOM 876 CD LYS A 57 0.025 -1.565 -16.524 1.00 15.00 C ATOM 877 CE LYS A 57 1.209 -1.049 -15.721 1.00 15.00 C ATOM 878 NZ LYS A 57 1.609 0.323 -16.137 1.00 15.00 N ATOM 0 H LYS A 57 -2.484 2.059 -17.297 1.00 15.00 H new ATOM 0 HA LYS A 57 -1.887 -0.482 -18.240 1.00 15.00 H new ATOM 0 HB2 LYS A 57 -1.178 0.750 -16.085 1.00 15.00 H new ATOM 0 HB3 LYS A 57 -2.692 0.200 -15.395 1.00 15.00 H new ATOM 0 HG2 LYS A 57 -1.109 -1.403 -14.708 1.00 15.00 H new ATOM 0 HG3 LYS A 57 -1.971 -2.176 -16.024 1.00 15.00 H new ATOM 0 HD2 LYS A 57 0.163 -2.625 -16.736 1.00 15.00 H new ATOM 0 HD3 LYS A 57 -0.016 -1.051 -17.484 1.00 15.00 H new ATOM 0 HE2 LYS A 57 0.955 -1.047 -14.661 1.00 15.00 H new ATOM 0 HE3 LYS A 57 2.054 -1.726 -15.845 1.00 15.00 H new ATOM 0 HZ1 LYS A 57 2.561 0.532 -15.774 1.00 15.00 H new ATOM 0 HZ2 LYS A 57 1.614 0.383 -17.175 1.00 15.00 H new ATOM 0 HZ3 LYS A 57 0.932 1.013 -15.753 1.00 15.00 H new ATOM 892 N ARG A 58 -4.999 -0.136 -17.500 1.00 15.00 N ATOM 893 CA ARG A 58 -6.288 -0.802 -17.508 1.00 15.00 C ATOM 894 C ARG A 58 -6.484 -1.473 -18.850 1.00 15.00 C ATOM 895 O ARG A 58 -6.935 -2.615 -18.930 1.00 15.00 O ATOM 896 CB ARG A 58 -7.415 0.204 -17.244 1.00 15.00 C ATOM 897 CG ARG A 58 -8.794 -0.275 -17.678 1.00 15.00 C ATOM 898 CD ARG A 58 -9.900 0.476 -16.954 1.00 15.00 C ATOM 899 NE ARG A 58 -11.137 -0.301 -16.879 1.00 15.00 N ATOM 900 CZ ARG A 58 -11.913 -0.559 -17.928 1.00 15.00 C ATOM 901 NH1 ARG A 58 -11.581 -0.114 -19.133 1.00 15.00 N ATOM 902 NH2 ARG A 58 -13.024 -1.265 -17.772 1.00 15.00 N ATOM 0 H ARG A 58 -5.048 0.883 -17.483 1.00 15.00 H new ATOM 0 HA ARG A 58 -6.315 -1.551 -16.717 1.00 15.00 H new ATOM 0 HB2 ARG A 58 -7.441 0.432 -16.178 1.00 15.00 H new ATOM 0 HB3 ARG A 58 -7.186 1.134 -17.764 1.00 15.00 H new ATOM 0 HG2 ARG A 58 -8.905 -0.139 -18.754 1.00 15.00 H new ATOM 0 HG3 ARG A 58 -8.888 -1.343 -17.480 1.00 15.00 H new ATOM 0 HD2 ARG A 58 -9.568 0.726 -15.946 1.00 15.00 H new ATOM 0 HD3 ARG A 58 -10.095 1.417 -17.468 1.00 15.00 H new ATOM 0 HE ARG A 58 -11.421 -0.666 -15.970 1.00 15.00 H new ATOM 0 HH11 ARG A 58 -10.727 0.429 -19.259 1.00 15.00 H new ATOM 0 HH12 ARG A 58 -12.180 -0.315 -19.934 1.00 15.00 H new ATOM 0 HH21 ARG A 58 -13.283 -1.610 -16.848 1.00 15.00 H new ATOM 0 HH22 ARG A 58 -13.619 -1.463 -18.576 1.00 15.00 H new ATOM 916 N ILE A 59 -6.136 -0.751 -19.909 1.00 15.00 N ATOM 917 CA ILE A 59 -6.269 -1.282 -21.244 1.00 15.00 C ATOM 918 C ILE A 59 -5.017 -2.022 -21.685 1.00 15.00 C ATOM 919 O ILE A 59 -5.031 -2.773 -22.660 1.00 15.00 O ATOM 920 CB ILE A 59 -6.601 -0.192 -22.260 1.00 15.00 C ATOM 921 CG1 ILE A 59 -7.039 -0.823 -23.582 1.00 15.00 C ATOM 922 CG2 ILE A 59 -5.408 0.732 -22.472 1.00 15.00 C ATOM 923 CD1 ILE A 59 -7.797 -2.136 -23.432 1.00 15.00 C ATOM 0 H ILE A 59 -5.763 0.197 -19.861 1.00 15.00 H new ATOM 0 HA ILE A 59 -7.098 -1.988 -21.208 1.00 15.00 H new ATOM 0 HB ILE A 59 -7.424 0.408 -21.870 1.00 15.00 H new ATOM 0 HG12 ILE A 59 -7.669 -0.113 -24.118 1.00 15.00 H new ATOM 0 HG13 ILE A 59 -6.157 -0.995 -24.198 1.00 15.00 H new ATOM 0 HG21 ILE A 59 -5.668 1.501 -23.200 1.00 15.00 H new ATOM 0 HG22 ILE A 59 -5.140 1.203 -21.526 1.00 15.00 H new ATOM 0 HG23 ILE A 59 -4.561 0.154 -22.842 1.00 15.00 H new ATOM 0 HD11 ILE A 59 -8.069 -2.514 -24.418 1.00 15.00 H new ATOM 0 HD12 ILE A 59 -7.165 -2.865 -22.926 1.00 15.00 H new ATOM 0 HD13 ILE A 59 -8.700 -1.970 -22.845 1.00 15.00 H new ATOM 935 N ARG A 60 -3.939 -1.821 -20.948 1.00 15.00 N ATOM 936 CA ARG A 60 -2.673 -2.485 -21.241 1.00 15.00 C ATOM 937 C ARG A 60 -2.745 -3.934 -20.811 1.00 15.00 C ATOM 938 O ARG A 60 -1.722 -4.582 -20.586 1.00 15.00 O ATOM 939 CB ARG A 60 -1.542 -1.822 -20.459 1.00 15.00 C ATOM 940 CG ARG A 60 -0.183 -1.945 -21.129 1.00 15.00 C ATOM 941 CD ARG A 60 0.591 -0.637 -21.070 1.00 15.00 C ATOM 942 NE ARG A 60 1.655 -0.587 -22.070 1.00 15.00 N ATOM 943 CZ ARG A 60 2.417 0.482 -22.288 1.00 15.00 C ATOM 944 NH1 ARG A 60 2.237 1.589 -21.577 1.00 15.00 N ATOM 945 NH2 ARG A 60 3.362 0.445 -23.217 1.00 15.00 N ATOM 0 H ARG A 60 -3.911 -1.201 -20.138 1.00 15.00 H new ATOM 0 HA ARG A 60 -2.486 -2.412 -22.312 1.00 15.00 H new ATOM 0 HB2 ARG A 60 -1.776 -0.766 -20.323 1.00 15.00 H new ATOM 0 HB3 ARG A 60 -1.489 -2.267 -19.465 1.00 15.00 H new ATOM 0 HG2 ARG A 60 0.393 -2.732 -20.642 1.00 15.00 H new ATOM 0 HG3 ARG A 60 -0.315 -2.244 -22.169 1.00 15.00 H new ATOM 0 HD2 ARG A 60 -0.093 0.197 -21.226 1.00 15.00 H new ATOM 0 HD3 ARG A 60 1.021 -0.514 -20.076 1.00 15.00 H new ATOM 0 HE ARG A 60 1.824 -1.420 -22.634 1.00 15.00 H new ATOM 0 HH11 ARG A 60 1.512 1.622 -20.860 1.00 15.00 H new ATOM 0 HH12 ARG A 60 2.824 2.406 -21.748 1.00 15.00 H new ATOM 0 HH21 ARG A 60 3.505 -0.403 -23.765 1.00 15.00 H new ATOM 0 HH22 ARG A 60 3.946 1.265 -23.384 1.00 15.00 H new ATOM 959 N TYR A 61 -3.960 -4.427 -20.657 1.00 15.00 N ATOM 960 CA TYR A 61 -4.168 -5.764 -20.212 1.00 15.00 C ATOM 961 C TYR A 61 -4.376 -6.758 -21.318 1.00 15.00 C ATOM 962 O TYR A 61 -5.375 -7.476 -21.363 1.00 15.00 O ATOM 963 CB TYR A 61 -5.253 -5.848 -19.167 1.00 15.00 C ATOM 964 CG TYR A 61 -4.692 -6.620 -18.025 1.00 15.00 C ATOM 965 CD1 TYR A 61 -4.214 -7.894 -18.252 1.00 15.00 C ATOM 966 CD2 TYR A 61 -4.519 -6.055 -16.778 1.00 15.00 C ATOM 967 CE1 TYR A 61 -3.596 -8.608 -17.269 1.00 15.00 C ATOM 968 CE2 TYR A 61 -3.886 -6.754 -15.775 1.00 15.00 C ATOM 969 CZ TYR A 61 -3.426 -8.038 -16.020 1.00 15.00 C ATOM 970 OH TYR A 61 -2.792 -8.742 -15.023 1.00 15.00 O ATOM 0 H TYR A 61 -4.816 -3.904 -20.840 1.00 15.00 H new ATOM 0 HA TYR A 61 -3.229 -6.056 -19.742 1.00 15.00 H new ATOM 0 HB2 TYR A 61 -5.559 -4.852 -18.847 1.00 15.00 H new ATOM 0 HB3 TYR A 61 -6.139 -6.340 -19.568 1.00 15.00 H new ATOM 0 HD1 TYR A 61 -4.332 -8.336 -19.231 1.00 15.00 H new ATOM 0 HD2 TYR A 61 -4.883 -5.056 -16.587 1.00 15.00 H new ATOM 0 HE1 TYR A 61 -3.242 -9.610 -17.463 1.00 15.00 H new ATOM 0 HE2 TYR A 61 -3.749 -6.304 -14.803 1.00 15.00 H new ATOM 0 HH TYR A 61 -2.214 -8.137 -14.512 1.00 15.00 H new ATOM 980 N LYS A 62 -3.395 -6.806 -22.175 1.00 15.00 N ATOM 981 CA LYS A 62 -3.375 -7.736 -23.295 1.00 15.00 C ATOM 982 C LYS A 62 -4.163 -7.199 -24.485 1.00 15.00 C ATOM 983 O LYS A 62 -4.633 -7.966 -25.325 1.00 15.00 O ATOM 984 CB LYS A 62 -3.936 -9.103 -22.882 1.00 15.00 C ATOM 985 CG LYS A 62 -3.455 -9.572 -21.518 1.00 15.00 C ATOM 986 CD LYS A 62 -2.645 -10.855 -21.622 1.00 15.00 C ATOM 987 CE LYS A 62 -1.295 -10.612 -22.277 1.00 15.00 C ATOM 988 NZ LYS A 62 -0.192 -10.573 -21.276 1.00 15.00 N ATOM 0 H LYS A 62 -2.575 -6.201 -22.125 1.00 15.00 H new ATOM 0 HA LYS A 62 -2.334 -7.852 -23.595 1.00 15.00 H new ATOM 0 HB2 LYS A 62 -5.025 -9.053 -22.876 1.00 15.00 H new ATOM 0 HB3 LYS A 62 -3.655 -9.843 -23.631 1.00 15.00 H new ATOM 0 HG2 LYS A 62 -2.847 -8.793 -21.058 1.00 15.00 H new ATOM 0 HG3 LYS A 62 -4.312 -9.734 -20.865 1.00 15.00 H new ATOM 0 HD2 LYS A 62 -2.497 -11.274 -20.627 1.00 15.00 H new ATOM 0 HD3 LYS A 62 -3.203 -11.593 -22.199 1.00 15.00 H new ATOM 0 HE2 LYS A 62 -1.097 -11.399 -23.005 1.00 15.00 H new ATOM 0 HE3 LYS A 62 -1.321 -9.670 -22.825 1.00 15.00 H new ATOM 0 HZ1 LYS A 62 0.712 -10.405 -21.762 1.00 15.00 H new ATOM 0 HZ2 LYS A 62 -0.367 -9.806 -20.596 1.00 15.00 H new ATOM 0 HZ3 LYS A 62 -0.150 -11.481 -20.770 1.00 15.00 H new ATOM 1002 N LYS A 63 -4.309 -5.878 -24.553 1.00 15.00 N ATOM 1003 CA LYS A 63 -5.049 -5.246 -25.644 1.00 15.00 C ATOM 1004 C LYS A 63 -6.397 -5.932 -25.859 1.00 15.00 C ATOM 1005 O LYS A 63 -6.850 -6.093 -26.992 1.00 15.00 O ATOM 1006 CB LYS A 63 -4.228 -5.287 -26.935 1.00 15.00 C ATOM 1007 CG LYS A 63 -4.171 -3.953 -27.660 1.00 15.00 C ATOM 1008 CD LYS A 63 -5.514 -3.594 -28.273 1.00 15.00 C ATOM 1009 CE LYS A 63 -6.246 -2.552 -27.442 1.00 15.00 C ATOM 1010 NZ LYS A 63 -7.496 -2.089 -28.107 1.00 15.00 N ATOM 0 H LYS A 63 -3.926 -5.226 -23.868 1.00 15.00 H new ATOM 0 HA LYS A 63 -5.232 -4.207 -25.372 1.00 15.00 H new ATOM 0 HB2 LYS A 63 -3.213 -5.608 -26.701 1.00 15.00 H new ATOM 0 HB3 LYS A 63 -4.653 -6.036 -27.603 1.00 15.00 H new ATOM 0 HG2 LYS A 63 -3.868 -3.172 -26.963 1.00 15.00 H new ATOM 0 HG3 LYS A 63 -3.413 -3.995 -28.442 1.00 15.00 H new ATOM 0 HD2 LYS A 63 -5.364 -3.215 -29.284 1.00 15.00 H new ATOM 0 HD3 LYS A 63 -6.128 -4.491 -28.357 1.00 15.00 H new ATOM 0 HE2 LYS A 63 -6.488 -2.971 -26.465 1.00 15.00 H new ATOM 0 HE3 LYS A 63 -5.590 -1.699 -27.269 1.00 15.00 H new ATOM 0 HZ1 LYS A 63 -7.965 -1.380 -27.509 1.00 15.00 H new ATOM 0 HZ2 LYS A 63 -7.263 -1.666 -29.028 1.00 15.00 H new ATOM 0 HZ3 LYS A 63 -8.134 -2.898 -28.249 1.00 15.00 H new ATOM 1024 N ASN A 64 -7.030 -6.335 -24.762 1.00 15.00 N ATOM 1025 CA ASN A 64 -8.324 -7.004 -24.828 1.00 15.00 C ATOM 1026 C ASN A 64 -8.226 -8.300 -25.625 1.00 15.00 C ATOM 1027 O ASN A 64 -7.102 -8.660 -26.032 1.00 15.00 O ATOM 1028 CB ASN A 64 -9.367 -6.081 -25.459 1.00 15.00 C ATOM 1029 CG ASN A 64 -9.451 -4.739 -24.761 1.00 15.00 C ATOM 1030 OD1 ASN A 64 -8.996 -4.587 -23.627 1.00 15.00 O ATOM 1031 ND2 ASN A 64 -10.034 -3.755 -25.435 1.00 15.00 N ATOM 1032 OXT ASN A 64 -9.275 -8.946 -25.833 1.00 15.00 O ATOM 0 H ASN A 64 -6.668 -6.210 -23.817 1.00 15.00 H new ATOM 0 HA ASN A 64 -8.632 -7.247 -23.811 1.00 15.00 H new ATOM 0 HB2 ASN A 64 -9.122 -5.926 -26.510 1.00 15.00 H new ATOM 0 HB3 ASN A 64 -10.343 -6.565 -25.427 1.00 15.00 H new ATOM 0 HD21 ASN A 64 -10.118 -2.829 -25.015 1.00 15.00 H new ATOM 0 HD22 ASN A 64 -10.397 -3.925 -26.373 1.00 15.00 H new TER 1039 ASN A 64