USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 575 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 37 GLN : amide:sc= 0.54 K(o=0.6,f=-0.13) USER MOD Set 1.2: A 44 HIS : no HE2:sc= 0.0569 K(o=0.6,f=-4.3!) 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 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.013) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0398 K(o=-0.04,f=-1.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00996 USER MOD Single : A 24 SER OG : rot 85:sc= 0.0248 USER MOD Single : A 27 MET CE :methyl -166:sc= -3.13! (180deg=-3.53) USER MOD Single : A 28 SER OG : rot 91:sc= 0.042 USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= -0.0054 (180deg=-0.0968) USER MOD Single : A 31 MET CE :methyl 143:sc= -0.318 (180deg=-0.746) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0.00782 USER MOD Single : A 46 THR OG1 : rot -160:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 140:sc= 1.23 (180deg=0.169) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0567) USER MOD Single : A 60 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.34) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 163:sc= -0.0422 (180deg=-0.422) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.233 -17.674 -31.186 1.00 0.00 N ATOM 2 CA GLY A 1 -12.713 -18.040 -29.852 1.00 0.00 C ATOM 3 C GLY A 1 -13.706 -17.016 -29.345 1.00 0.00 C ATOM 4 O GLY A 1 -13.316 -15.906 -28.972 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.553 -18.387 -31.518 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.037 -17.629 -31.844 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.768 -16.745 -31.145 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.181 -19.024 -29.885 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.871 -18.111 -29.163 1.00 0.00 H new ATOM 8 N SER A 2 -14.986 -17.383 -29.332 1.00 0.00 N ATOM 9 CA SER A 2 -16.084 -16.599 -28.801 1.00 0.00 C ATOM 10 C SER A 2 -17.033 -17.633 -28.208 1.00 0.00 C ATOM 11 O SER A 2 -17.552 -18.478 -28.943 1.00 0.00 O ATOM 12 CB SER A 2 -16.712 -15.760 -29.925 1.00 0.00 C ATOM 13 OG SER A 2 -17.659 -14.836 -29.423 1.00 0.00 O ATOM 0 H SER A 2 -15.293 -18.279 -29.711 1.00 0.00 H new ATOM 0 HA SER A 2 -15.790 -15.876 -28.040 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.928 -15.223 -30.460 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.195 -16.420 -30.646 1.00 0.00 H new ATOM 0 HG SER A 2 -18.036 -14.319 -30.165 1.00 0.00 H new ATOM 19 N SER A 3 -17.172 -17.654 -26.884 1.00 0.00 N ATOM 20 CA SER A 3 -17.912 -18.682 -26.171 1.00 0.00 C ATOM 21 C SER A 3 -18.219 -18.133 -24.779 1.00 0.00 C ATOM 22 O SER A 3 -19.377 -17.836 -24.469 1.00 0.00 O ATOM 23 CB SER A 3 -17.062 -19.965 -26.151 1.00 0.00 C ATOM 24 OG SER A 3 -17.813 -21.130 -25.877 1.00 0.00 O ATOM 0 H SER A 3 -16.767 -16.946 -26.272 1.00 0.00 H new ATOM 0 HA SER A 3 -18.858 -18.938 -26.648 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.567 -20.079 -27.115 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.278 -19.862 -25.400 1.00 0.00 H new ATOM 0 HG SER A 3 -17.220 -21.910 -25.880 1.00 0.00 H new ATOM 30 N GLY A 4 -17.178 -17.935 -23.973 1.00 0.00 N ATOM 31 CA GLY A 4 -17.209 -17.333 -22.655 1.00 0.00 C ATOM 32 C GLY A 4 -15.805 -16.846 -22.312 1.00 0.00 C ATOM 33 O GLY A 4 -14.855 -17.079 -23.071 1.00 0.00 O ATOM 0 H GLY A 4 -16.235 -18.210 -24.246 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.914 -16.502 -22.635 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.550 -18.058 -21.916 1.00 0.00 H new ATOM 37 N SER A 5 -15.667 -16.152 -21.188 1.00 0.00 N ATOM 38 CA SER A 5 -14.404 -15.584 -20.747 1.00 0.00 C ATOM 39 C SER A 5 -13.681 -16.586 -19.838 1.00 0.00 C ATOM 40 O SER A 5 -12.600 -17.051 -20.198 1.00 0.00 O ATOM 41 CB SER A 5 -14.693 -14.223 -20.109 1.00 0.00 C ATOM 42 OG SER A 5 -13.521 -13.445 -20.008 1.00 0.00 O ATOM 0 H SER A 5 -16.442 -15.967 -20.551 1.00 0.00 H new ATOM 0 HA SER A 5 -13.717 -15.403 -21.574 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.435 -13.691 -20.704 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.123 -14.368 -19.118 1.00 0.00 H new ATOM 0 HG SER A 5 -13.736 -12.581 -19.599 1.00 0.00 H new ATOM 48 N SER A 6 -14.301 -16.979 -18.719 1.00 0.00 N ATOM 49 CA SER A 6 -13.722 -17.823 -17.676 1.00 0.00 C ATOM 50 C SER A 6 -12.386 -17.280 -17.140 1.00 0.00 C ATOM 51 O SER A 6 -11.296 -17.664 -17.574 1.00 0.00 O ATOM 52 CB SER A 6 -13.659 -19.282 -18.134 1.00 0.00 C ATOM 53 OG SER A 6 -14.971 -19.803 -18.275 1.00 0.00 O ATOM 0 H SER A 6 -15.261 -16.704 -18.510 1.00 0.00 H new ATOM 0 HA SER A 6 -14.388 -17.793 -16.814 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.127 -19.351 -19.083 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.099 -19.875 -17.411 1.00 0.00 H new ATOM 0 HG SER A 6 -14.922 -20.736 -18.570 1.00 0.00 H new ATOM 59 N GLY A 7 -12.487 -16.376 -16.164 1.00 0.00 N ATOM 60 CA GLY A 7 -11.363 -15.804 -15.440 1.00 0.00 C ATOM 61 C GLY A 7 -11.905 -14.830 -14.406 1.00 0.00 C ATOM 62 O GLY A 7 -12.266 -13.705 -14.759 1.00 0.00 O ATOM 0 H GLY A 7 -13.387 -16.013 -15.849 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.785 -16.590 -14.954 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.690 -15.292 -16.128 1.00 0.00 H new ATOM 66 N ARG A 8 -12.083 -15.257 -13.157 1.00 0.00 N ATOM 67 CA ARG A 8 -12.683 -14.456 -12.096 1.00 0.00 C ATOM 68 C ARG A 8 -11.754 -14.473 -10.888 1.00 0.00 C ATOM 69 O ARG A 8 -11.806 -15.390 -10.068 1.00 0.00 O ATOM 70 CB ARG A 8 -14.109 -14.960 -11.790 1.00 0.00 C ATOM 71 CG ARG A 8 -14.897 -14.078 -10.804 1.00 0.00 C ATOM 72 CD ARG A 8 -15.750 -12.954 -11.416 1.00 0.00 C ATOM 73 NE ARG A 8 -15.056 -12.105 -12.399 1.00 0.00 N ATOM 74 CZ ARG A 8 -14.051 -11.242 -12.209 1.00 0.00 C ATOM 75 NH1 ARG A 8 -13.483 -11.066 -11.021 1.00 0.00 N ATOM 76 NH2 ARG A 8 -13.587 -10.567 -13.247 1.00 0.00 N ATOM 0 H ARG A 8 -11.808 -16.190 -12.850 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.796 -13.417 -12.405 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -14.666 -15.026 -12.724 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.045 -15.970 -11.384 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -15.552 -14.723 -10.219 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.189 -13.628 -10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -16.621 -13.401 -11.896 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.120 -12.321 -10.610 1.00 0.00 H new ATOM 0 HE ARG A 8 -15.388 -12.186 -13.360 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.811 -11.598 -10.215 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.719 -10.399 -10.915 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.995 -10.709 -14.171 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.821 -9.904 -13.124 1.00 0.00 H new ATOM 90 N GLY A 9 -10.940 -13.432 -10.746 1.00 0.00 N ATOM 91 CA GLY A 9 -9.937 -13.317 -9.702 1.00 0.00 C ATOM 92 C GLY A 9 -8.641 -14.001 -10.124 1.00 0.00 C ATOM 93 O GLY A 9 -8.597 -14.765 -11.096 1.00 0.00 O ATOM 0 H GLY A 9 -10.963 -12.627 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.746 -12.265 -9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.309 -13.767 -8.782 1.00 0.00 H new ATOM 97 N ARG A 10 -7.570 -13.729 -9.376 1.00 0.00 N ATOM 98 CA ARG A 10 -6.230 -14.214 -9.696 1.00 0.00 C ATOM 99 C ARG A 10 -5.445 -14.517 -8.434 1.00 0.00 C ATOM 100 O ARG A 10 -4.890 -15.610 -8.320 1.00 0.00 O ATOM 101 CB ARG A 10 -5.504 -13.161 -10.551 1.00 0.00 C ATOM 102 CG ARG A 10 -4.287 -13.721 -11.293 1.00 0.00 C ATOM 103 CD ARG A 10 -4.666 -14.578 -12.503 1.00 0.00 C ATOM 104 NE ARG A 10 -3.466 -15.215 -13.062 1.00 0.00 N ATOM 105 CZ ARG A 10 -3.179 -15.385 -14.355 1.00 0.00 C ATOM 106 NH1 ARG A 10 -4.058 -15.145 -15.317 1.00 0.00 N ATOM 107 NH2 ARG A 10 -1.975 -15.803 -14.709 1.00 0.00 N ATOM 0 H ARG A 10 -7.610 -13.164 -8.528 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.312 -15.143 -10.260 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.204 -12.746 -11.276 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.184 -12.340 -9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.658 -12.894 -11.623 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.692 -14.319 -10.603 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.388 -15.339 -12.208 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.146 -13.960 -13.261 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.780 -15.564 -12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.995 -14.817 -15.082 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.798 -15.288 -16.293 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.271 -15.994 -13.996 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.750 -15.935 -15.695 1.00 0.00 H new ATOM 121 N TYR A 11 -5.411 -13.580 -7.492 1.00 0.00 N ATOM 122 CA TYR A 11 -4.625 -13.672 -6.271 1.00 0.00 C ATOM 123 C TYR A 11 -5.552 -13.468 -5.068 1.00 0.00 C ATOM 124 O TYR A 11 -6.783 -13.515 -5.212 1.00 0.00 O ATOM 125 CB TYR A 11 -3.448 -12.686 -6.362 1.00 0.00 C ATOM 126 CG TYR A 11 -2.605 -12.848 -7.618 1.00 0.00 C ATOM 127 CD1 TYR A 11 -1.897 -14.044 -7.839 1.00 0.00 C ATOM 128 CD2 TYR A 11 -2.572 -11.833 -8.593 1.00 0.00 C ATOM 129 CE1 TYR A 11 -1.199 -14.242 -9.041 1.00 0.00 C ATOM 130 CE2 TYR A 11 -1.874 -12.024 -9.800 1.00 0.00 C ATOM 131 CZ TYR A 11 -1.209 -13.249 -10.042 1.00 0.00 C ATOM 132 OH TYR A 11 -0.651 -13.528 -11.253 1.00 0.00 O ATOM 0 H TYR A 11 -5.944 -12.713 -7.561 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.178 -14.657 -6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.836 -11.668 -6.325 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.809 -12.816 -5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.891 -14.813 -7.081 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -3.086 -10.901 -8.413 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.652 -15.159 -9.200 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.846 -11.237 -10.540 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.735 -12.747 -11.839 1.00 0.00 H new ATOM 142 N ARG A 12 -4.990 -13.362 -3.865 1.00 0.00 N ATOM 143 CA ARG A 12 -5.720 -13.214 -2.607 1.00 0.00 C ATOM 144 C ARG A 12 -5.346 -11.879 -1.976 1.00 0.00 C ATOM 145 O ARG A 12 -4.315 -11.303 -2.326 1.00 0.00 O ATOM 146 CB ARG A 12 -5.372 -14.368 -1.666 1.00 0.00 C ATOM 147 CG ARG A 12 -5.885 -15.706 -2.215 1.00 0.00 C ATOM 148 CD ARG A 12 -5.322 -16.871 -1.413 1.00 0.00 C ATOM 149 NE ARG A 12 -5.651 -16.779 0.021 1.00 0.00 N ATOM 150 CZ ARG A 12 -6.416 -17.613 0.730 1.00 0.00 C ATOM 151 NH1 ARG A 12 -7.050 -18.635 0.162 1.00 0.00 N ATOM 152 NH2 ARG A 12 -6.547 -17.412 2.033 1.00 0.00 N ATOM 0 H ARG A 12 -3.978 -13.377 -3.735 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.794 -13.237 -2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.291 -14.418 -1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.808 -14.184 -0.684 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.974 -15.726 -2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.600 -15.808 -3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.713 -17.806 -1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.239 -16.901 -1.533 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.250 -15.990 0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.959 -18.798 -0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.628 -19.256 0.729 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.067 -16.630 2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.127 -18.039 2.590 1.00 0.00 H new ATOM 166 N GLN A 13 -6.126 -11.429 -0.987 1.00 0.00 N ATOM 167 CA GLN A 13 -5.951 -10.126 -0.345 1.00 0.00 C ATOM 168 C GLN A 13 -5.944 -9.013 -1.405 1.00 0.00 C ATOM 169 O GLN A 13 -6.432 -9.208 -2.524 1.00 0.00 O ATOM 170 CB GLN A 13 -4.702 -10.105 0.568 1.00 0.00 C ATOM 171 CG GLN A 13 -4.600 -11.274 1.559 1.00 0.00 C ATOM 172 CD GLN A 13 -5.778 -11.325 2.522 1.00 0.00 C ATOM 173 OE1 GLN A 13 -5.826 -10.627 3.529 1.00 0.00 O ATOM 174 NE2 GLN A 13 -6.764 -12.162 2.250 1.00 0.00 N ATOM 0 H GLN A 13 -6.905 -11.967 -0.607 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.799 -9.939 0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.812 -10.103 -0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.697 -9.171 1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.546 -12.212 1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.674 -11.185 2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.724 -12.742 1.412 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.565 -12.227 2.878 1.00 0.00 H new ATOM 183 N TYR A 14 -5.495 -7.810 -1.054 1.00 0.00 N ATOM 184 CA TYR A 14 -5.330 -6.721 -2.004 1.00 0.00 C ATOM 185 C TYR A 14 -4.280 -7.091 -3.058 1.00 0.00 C ATOM 186 O TYR A 14 -3.441 -7.968 -2.834 1.00 0.00 O ATOM 187 CB TYR A 14 -4.968 -5.432 -1.258 1.00 0.00 C ATOM 188 CG TYR A 14 -3.590 -5.454 -0.611 1.00 0.00 C ATOM 189 CD1 TYR A 14 -2.462 -5.040 -1.342 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.421 -5.899 0.713 1.00 0.00 C ATOM 191 CE1 TYR A 14 -1.177 -5.105 -0.780 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.135 -6.007 1.268 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.004 -5.599 0.532 1.00 0.00 C ATOM 194 OH TYR A 14 0.239 -5.737 1.066 1.00 0.00 O ATOM 0 H TYR A 14 -5.235 -7.566 -0.098 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.269 -6.548 -2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.017 -4.596 -1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.717 -5.249 -0.487 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.586 -4.667 -2.348 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.285 -6.159 1.306 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.321 -4.777 -1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.012 -6.405 2.264 1.00 0.00 H new ATOM 0 HH TYR A 14 0.166 -6.089 1.978 1.00 0.00 H new ATOM 204 N ASN A 15 -4.305 -6.377 -4.180 1.00 0.00 N ATOM 205 CA ASN A 15 -3.384 -6.497 -5.308 1.00 0.00 C ATOM 206 C ASN A 15 -2.493 -5.264 -5.346 1.00 0.00 C ATOM 207 O ASN A 15 -2.844 -4.241 -4.758 1.00 0.00 O ATOM 208 CB ASN A 15 -4.162 -6.654 -6.624 1.00 0.00 C ATOM 209 CG ASN A 15 -4.775 -8.041 -6.770 1.00 0.00 C ATOM 210 OD1 ASN A 15 -4.242 -9.024 -6.257 1.00 0.00 O ATOM 211 ND2 ASN A 15 -5.911 -8.156 -7.425 1.00 0.00 N ATOM 0 H ASN A 15 -5.010 -5.657 -4.336 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.765 -7.385 -5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.951 -5.904 -6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.494 -6.464 -7.464 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.360 -9.068 -7.512 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.343 -7.333 -7.846 1.00 0.00 H new ATOM 218 N SER A 16 -1.341 -5.345 -6.010 1.00 0.00 N ATOM 219 CA SER A 16 -0.414 -4.227 -6.170 1.00 0.00 C ATOM 220 C SER A 16 -1.121 -2.951 -6.646 1.00 0.00 C ATOM 221 O SER A 16 -0.791 -1.849 -6.214 1.00 0.00 O ATOM 222 CB SER A 16 0.705 -4.646 -7.133 1.00 0.00 C ATOM 223 OG SER A 16 0.206 -5.413 -8.225 1.00 0.00 O ATOM 0 H SER A 16 -1.021 -6.203 -6.459 1.00 0.00 H new ATOM 0 HA SER A 16 0.016 -3.984 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.208 -3.757 -7.514 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.451 -5.228 -6.592 1.00 0.00 H new ATOM 0 HG SER A 16 0.947 -5.660 -8.817 1.00 0.00 H new ATOM 229 N GLU A 17 -2.102 -3.102 -7.529 1.00 0.00 N ATOM 230 CA GLU A 17 -2.901 -2.026 -8.097 1.00 0.00 C ATOM 231 C GLU A 17 -3.702 -1.333 -6.983 1.00 0.00 C ATOM 232 O GLU A 17 -3.660 -0.109 -6.866 1.00 0.00 O ATOM 233 CB GLU A 17 -3.830 -2.634 -9.161 1.00 0.00 C ATOM 234 CG GLU A 17 -3.072 -3.397 -10.266 1.00 0.00 C ATOM 235 CD GLU A 17 -4.002 -4.347 -11.013 1.00 0.00 C ATOM 236 OE1 GLU A 17 -4.554 -5.267 -10.361 1.00 0.00 O ATOM 237 OE2 GLU A 17 -4.214 -4.171 -12.236 1.00 0.00 O ATOM 0 H GLU A 17 -2.373 -4.019 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.266 -1.273 -8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.532 -3.313 -8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.419 -1.838 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.633 -2.687 -10.967 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.249 -3.960 -9.825 1.00 0.00 H new ATOM 244 N ILE A 18 -4.384 -2.133 -6.151 1.00 0.00 N ATOM 245 CA ILE A 18 -5.220 -1.716 -5.024 1.00 0.00 C ATOM 246 C ILE A 18 -4.380 -1.024 -3.952 1.00 0.00 C ATOM 247 O ILE A 18 -4.842 -0.067 -3.333 1.00 0.00 O ATOM 248 CB ILE A 18 -5.933 -2.956 -4.421 1.00 0.00 C ATOM 249 CG1 ILE A 18 -6.997 -3.559 -5.361 1.00 0.00 C ATOM 250 CG2 ILE A 18 -6.552 -2.661 -3.045 1.00 0.00 C ATOM 251 CD1 ILE A 18 -8.327 -2.811 -5.266 1.00 0.00 C ATOM 0 H ILE A 18 -4.363 -3.147 -6.256 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.965 -1.006 -5.384 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.147 -3.700 -4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.634 -3.527 -6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.151 -4.608 -5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.039 -3.559 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.769 -2.352 -2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.288 -1.862 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.050 -3.266 -5.943 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.703 -2.865 -4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.178 -1.767 -5.543 1.00 0.00 H new ATOM 263 N LEU A 19 -3.185 -1.549 -3.674 1.00 0.00 N ATOM 264 CA LEU A 19 -2.334 -1.006 -2.626 1.00 0.00 C ATOM 265 C LEU A 19 -2.052 0.465 -2.913 1.00 0.00 C ATOM 266 O LEU A 19 -2.170 1.295 -2.016 1.00 0.00 O ATOM 267 CB LEU A 19 -1.066 -1.862 -2.491 1.00 0.00 C ATOM 268 CG LEU A 19 0.012 -1.259 -1.578 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.496 -1.084 -0.141 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.222 -2.200 -1.553 1.00 0.00 C ATOM 0 H LEU A 19 -2.789 -2.351 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.836 -1.046 -1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.344 -2.843 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.640 -2.018 -3.482 1.00 0.00 H new ATOM 0 HG LEU A 19 0.280 -0.279 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.295 -0.655 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.359 -0.418 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.785 -2.054 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.995 -1.782 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.917 -3.174 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.615 -2.314 -2.563 1.00 0.00 H new ATOM 282 N GLU A 20 -1.743 0.778 -4.168 1.00 0.00 N ATOM 283 CA GLU A 20 -1.469 2.133 -4.606 1.00 0.00 C ATOM 284 C GLU A 20 -2.701 3.027 -4.484 1.00 0.00 C ATOM 285 O GLU A 20 -2.557 4.167 -4.054 1.00 0.00 O ATOM 286 CB GLU A 20 -0.950 2.091 -6.043 1.00 0.00 C ATOM 287 CG GLU A 20 0.488 1.569 -6.084 1.00 0.00 C ATOM 288 CD GLU A 20 1.457 2.575 -5.480 1.00 0.00 C ATOM 289 OE1 GLU A 20 1.615 3.651 -6.105 1.00 0.00 O ATOM 290 OE2 GLU A 20 2.057 2.275 -4.429 1.00 0.00 O ATOM 0 H GLU A 20 -1.676 0.086 -4.914 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.708 2.569 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.592 1.451 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.992 3.089 -6.480 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.551 0.627 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.772 1.360 -7.115 1.00 0.00 H new ATOM 297 N GLU A 21 -3.903 2.531 -4.787 1.00 0.00 N ATOM 298 CA GLU A 21 -5.147 3.236 -4.554 1.00 0.00 C ATOM 299 C GLU A 21 -5.264 3.740 -3.124 1.00 0.00 C ATOM 300 O GLU A 21 -5.433 4.944 -2.903 1.00 0.00 O ATOM 301 CB GLU A 21 -6.329 2.393 -4.926 1.00 0.00 C ATOM 302 CG GLU A 21 -6.446 2.030 -6.397 1.00 0.00 C ATOM 303 CD GLU A 21 -6.237 3.209 -7.347 1.00 0.00 C ATOM 304 OE1 GLU A 21 -6.942 4.237 -7.213 1.00 0.00 O ATOM 305 OE2 GLU A 21 -5.389 3.119 -8.264 1.00 0.00 O ATOM 0 H GLU A 21 -4.032 1.611 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.139 4.112 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.291 1.471 -4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.235 2.920 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.715 1.256 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.432 1.601 -6.578 1.00 0.00 H new ATOM 312 N ALA A 22 -5.163 2.813 -2.173 1.00 0.00 N ATOM 313 CA ALA A 22 -5.296 3.065 -0.745 1.00 0.00 C ATOM 314 C ALA A 22 -4.152 3.899 -0.182 1.00 0.00 C ATOM 315 O ALA A 22 -4.262 4.422 0.927 1.00 0.00 O ATOM 316 CB ALA A 22 -5.318 1.722 -0.035 1.00 0.00 C ATOM 0 H ALA A 22 -4.980 1.833 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.214 3.630 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.417 1.880 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.162 1.134 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.390 1.187 -0.239 1.00 0.00 H new ATOM 322 N ILE A 23 -3.056 4.025 -0.919 1.00 0.00 N ATOM 323 CA ILE A 23 -1.981 4.942 -0.576 1.00 0.00 C ATOM 324 C ILE A 23 -2.394 6.326 -1.066 1.00 0.00 C ATOM 325 O ILE A 23 -2.444 7.276 -0.283 1.00 0.00 O ATOM 326 CB ILE A 23 -0.663 4.413 -1.173 1.00 0.00 C ATOM 327 CG1 ILE A 23 -0.181 3.238 -0.300 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.421 5.494 -1.267 1.00 0.00 C ATOM 329 CD1 ILE A 23 0.783 2.333 -1.064 1.00 0.00 C ATOM 0 H ILE A 23 -2.889 3.492 -1.773 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.805 5.018 0.497 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.851 4.086 -2.196 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.311 3.624 0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.040 2.656 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.327 5.065 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.070 6.307 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.638 5.880 -0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.103 1.515 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.282 1.927 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.653 2.910 -1.377 1.00 0.00 H new ATOM 341 N SER A 24 -2.730 6.445 -2.346 1.00 0.00 N ATOM 342 CA SER A 24 -3.068 7.687 -3.005 1.00 0.00 C ATOM 343 C SER A 24 -4.266 8.405 -2.373 1.00 0.00 C ATOM 344 O SER A 24 -4.285 9.635 -2.412 1.00 0.00 O ATOM 345 CB SER A 24 -3.272 7.377 -4.488 1.00 0.00 C ATOM 346 OG SER A 24 -2.013 7.109 -5.076 1.00 0.00 O ATOM 0 H SER A 24 -2.774 5.641 -2.973 1.00 0.00 H new ATOM 0 HA SER A 24 -2.251 8.398 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.934 6.519 -4.607 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.750 8.220 -4.987 1.00 0.00 H new ATOM 0 HG SER A 24 -1.782 6.167 -4.939 1.00 0.00 H new ATOM 352 N VAL A 25 -5.228 7.715 -1.748 1.00 0.00 N ATOM 353 CA VAL A 25 -6.249 8.367 -0.919 1.00 0.00 C ATOM 354 C VAL A 25 -5.561 9.130 0.225 1.00 0.00 C ATOM 355 O VAL A 25 -5.672 10.348 0.326 1.00 0.00 O ATOM 356 CB VAL A 25 -7.342 7.378 -0.415 1.00 0.00 C ATOM 357 CG1 VAL A 25 -8.613 7.376 -1.261 1.00 0.00 C ATOM 358 CG2 VAL A 25 -6.876 5.964 -0.243 1.00 0.00 C ATOM 0 H VAL A 25 -5.321 6.701 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.791 9.083 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.575 7.779 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.325 6.662 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.054 8.373 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.368 7.091 -2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.703 5.349 0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.520 5.579 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.065 5.934 0.485 1.00 0.00 H new ATOM 368 N VAL A 26 -4.834 8.435 1.089 1.00 0.00 N ATOM 369 CA VAL A 26 -4.158 8.977 2.265 1.00 0.00 C ATOM 370 C VAL A 26 -3.189 10.106 1.889 1.00 0.00 C ATOM 371 O VAL A 26 -3.133 11.122 2.584 1.00 0.00 O ATOM 372 CB VAL A 26 -3.460 7.830 3.029 1.00 0.00 C ATOM 373 CG1 VAL A 26 -2.834 8.320 4.339 1.00 0.00 C ATOM 374 CG2 VAL A 26 -4.454 6.715 3.389 1.00 0.00 C ATOM 0 H VAL A 26 -4.691 7.430 0.986 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.898 9.427 2.927 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.685 7.452 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.353 7.484 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.092 9.089 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.611 8.736 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.933 5.922 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.244 7.122 4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.891 6.309 2.477 1.00 0.00 H new ATOM 384 N MET A 27 -2.456 9.965 0.785 1.00 0.00 N ATOM 385 CA MET A 27 -1.532 10.983 0.296 1.00 0.00 C ATOM 386 C MET A 27 -2.252 12.276 -0.054 1.00 0.00 C ATOM 387 O MET A 27 -1.822 13.354 0.363 1.00 0.00 O ATOM 388 CB MET A 27 -0.820 10.475 -0.950 1.00 0.00 C ATOM 389 CG MET A 27 0.213 9.427 -0.592 1.00 0.00 C ATOM 390 SD MET A 27 1.170 8.991 -2.042 1.00 0.00 S ATOM 391 CE MET A 27 2.557 8.275 -1.163 1.00 0.00 C ATOM 0 H MET A 27 -2.489 9.130 0.200 1.00 0.00 H new ATOM 0 HA MET A 27 -0.817 11.186 1.094 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.548 10.052 -1.643 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.337 11.307 -1.463 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.872 9.806 0.189 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.279 8.541 -0.191 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.397 8.153 -1.846 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.848 8.933 -0.344 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.271 7.302 -0.763 1.00 0.00 H new ATOM 401 N SER A 28 -3.336 12.176 -0.820 1.00 0.00 N ATOM 402 CA SER A 28 -4.158 13.313 -1.190 1.00 0.00 C ATOM 403 C SER A 28 -5.047 13.797 -0.032 1.00 0.00 C ATOM 404 O SER A 28 -5.827 14.739 -0.210 1.00 0.00 O ATOM 405 CB SER A 28 -4.977 12.912 -2.412 1.00 0.00 C ATOM 406 OG SER A 28 -4.139 12.583 -3.513 1.00 0.00 O ATOM 0 H SER A 28 -3.667 11.291 -1.203 1.00 0.00 H new ATOM 0 HA SER A 28 -3.520 14.164 -1.430 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.608 12.058 -2.165 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.642 13.729 -2.690 1.00 0.00 H new ATOM 0 HG SER A 28 -3.943 11.623 -3.500 1.00 0.00 H new ATOM 412 N GLY A 29 -4.951 13.188 1.156 1.00 0.00 N ATOM 413 CA GLY A 29 -5.696 13.642 2.314 1.00 0.00 C ATOM 414 C GLY A 29 -7.150 13.211 2.266 1.00 0.00 C ATOM 415 O GLY A 29 -7.981 13.873 2.881 1.00 0.00 O ATOM 0 H GLY A 29 -4.359 12.376 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.232 13.249 3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.643 14.729 2.375 1.00 0.00 H new ATOM 419 N LYS A 30 -7.479 12.161 1.511 1.00 0.00 N ATOM 420 CA LYS A 30 -8.857 11.712 1.318 1.00 0.00 C ATOM 421 C LYS A 30 -9.367 11.041 2.588 1.00 0.00 C ATOM 422 O LYS A 30 -10.572 11.033 2.849 1.00 0.00 O ATOM 423 CB LYS A 30 -8.887 10.736 0.128 1.00 0.00 C ATOM 424 CG LYS A 30 -8.312 11.321 -1.181 1.00 0.00 C ATOM 425 CD LYS A 30 -9.017 12.552 -1.751 1.00 0.00 C ATOM 426 CE LYS A 30 -10.307 12.160 -2.482 1.00 0.00 C ATOM 427 NZ LYS A 30 -10.070 11.482 -3.776 1.00 0.00 N ATOM 0 H LYS A 30 -6.791 11.595 1.014 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.508 12.560 1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.324 9.841 0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.917 10.425 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.267 11.577 -1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.328 10.538 -1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.249 13.248 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.349 13.072 -2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.894 11.504 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.904 13.056 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.962 11.427 -4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.371 12.020 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.710 10.521 -3.604 1.00 0.00 H new ATOM 441 N MET A 31 -8.456 10.472 3.373 1.00 0.00 N ATOM 442 CA MET A 31 -8.680 9.772 4.622 1.00 0.00 C ATOM 443 C MET A 31 -7.323 9.590 5.311 1.00 0.00 C ATOM 444 O MET A 31 -6.304 10.027 4.774 1.00 0.00 O ATOM 445 CB MET A 31 -9.330 8.412 4.351 1.00 0.00 C ATOM 446 CG MET A 31 -8.519 7.488 3.457 1.00 0.00 C ATOM 447 SD MET A 31 -9.435 6.136 2.666 1.00 0.00 S ATOM 448 CE MET A 31 -10.818 6.935 1.858 1.00 0.00 C ATOM 0 H MET A 31 -7.466 10.494 3.127 1.00 0.00 H new ATOM 0 HA MET A 31 -9.351 10.343 5.264 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.505 7.912 5.304 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.305 8.575 3.892 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.052 8.089 2.676 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.714 7.055 4.051 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.021 6.439 0.909 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.699 6.871 2.497 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.577 7.982 1.675 1.00 0.00 H new ATOM 458 N SER A 32 -7.305 8.907 6.454 1.00 0.00 N ATOM 459 CA SER A 32 -6.092 8.556 7.187 1.00 0.00 C ATOM 460 C SER A 32 -5.716 7.083 6.953 1.00 0.00 C ATOM 461 O SER A 32 -6.465 6.354 6.294 1.00 0.00 O ATOM 462 CB SER A 32 -6.340 8.854 8.663 1.00 0.00 C ATOM 463 OG SER A 32 -6.878 10.152 8.850 1.00 0.00 O ATOM 0 H SER A 32 -8.156 8.574 6.907 1.00 0.00 H new ATOM 0 HA SER A 32 -5.246 9.146 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.025 8.113 9.074 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.404 8.764 9.215 1.00 0.00 H new ATOM 0 HG SER A 32 -7.026 10.310 9.806 1.00 0.00 H new ATOM 469 N VAL A 33 -4.570 6.640 7.488 1.00 0.00 N ATOM 470 CA VAL A 33 -4.054 5.277 7.331 1.00 0.00 C ATOM 471 C VAL A 33 -5.088 4.269 7.853 1.00 0.00 C ATOM 472 O VAL A 33 -5.516 3.398 7.099 1.00 0.00 O ATOM 473 CB VAL A 33 -2.663 5.151 8.009 1.00 0.00 C ATOM 474 CG1 VAL A 33 -2.035 3.754 7.900 1.00 0.00 C ATOM 475 CG2 VAL A 33 -1.665 6.149 7.399 1.00 0.00 C ATOM 0 H VAL A 33 -3.964 7.234 8.054 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.900 5.048 6.277 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.852 5.360 9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.066 3.751 8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.690 3.023 8.374 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.903 3.495 6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.698 6.042 7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.555 5.948 6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.034 7.165 7.541 1.00 0.00 H new ATOM 485 N SER A 34 -5.557 4.428 9.095 1.00 0.00 N ATOM 486 CA SER A 34 -6.546 3.565 9.742 1.00 0.00 C ATOM 487 C SER A 34 -7.782 3.376 8.870 1.00 0.00 C ATOM 488 O SER A 34 -8.339 2.276 8.790 1.00 0.00 O ATOM 489 CB SER A 34 -6.942 4.199 11.089 1.00 0.00 C ATOM 490 OG SER A 34 -7.800 3.364 11.838 1.00 0.00 O ATOM 0 H SER A 34 -5.246 5.190 9.698 1.00 0.00 H new ATOM 0 HA SER A 34 -6.106 2.580 9.899 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.043 4.408 11.669 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.434 5.155 10.908 1.00 0.00 H new ATOM 0 HG SER A 34 -8.026 3.802 12.685 1.00 0.00 H new ATOM 496 N LYS A 35 -8.221 4.471 8.247 1.00 0.00 N ATOM 497 CA LYS A 35 -9.408 4.501 7.428 1.00 0.00 C ATOM 498 C LYS A 35 -9.184 3.628 6.203 1.00 0.00 C ATOM 499 O LYS A 35 -9.762 2.542 6.131 1.00 0.00 O ATOM 500 CB LYS A 35 -9.769 5.948 7.115 1.00 0.00 C ATOM 501 CG LYS A 35 -11.001 6.004 6.204 1.00 0.00 C ATOM 502 CD LYS A 35 -11.932 7.130 6.607 1.00 0.00 C ATOM 503 CE LYS A 35 -13.038 7.318 5.572 1.00 0.00 C ATOM 504 NZ LYS A 35 -13.798 8.550 5.830 1.00 0.00 N ATOM 0 H LYS A 35 -7.745 5.371 8.306 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.270 4.084 7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.968 6.489 8.040 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.927 6.443 6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.685 6.142 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.534 5.054 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.372 6.913 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.366 8.055 6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.603 7.357 4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.711 6.460 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.544 8.655 5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.231 8.500 6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.158 9.368 5.786 1.00 0.00 H new ATOM 518 N ALA A 36 -8.357 4.093 5.263 1.00 0.00 N ATOM 519 CA ALA A 36 -8.081 3.418 4.006 1.00 0.00 C ATOM 520 C ALA A 36 -7.664 1.965 4.181 1.00 0.00 C ATOM 521 O ALA A 36 -8.107 1.141 3.390 1.00 0.00 O ATOM 522 CB ALA A 36 -6.961 4.162 3.266 1.00 0.00 C ATOM 0 H ALA A 36 -7.851 4.973 5.364 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.011 3.424 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.751 3.658 2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.274 5.187 3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.061 4.170 3.881 1.00 0.00 H new ATOM 528 N GLN A 37 -6.875 1.624 5.202 1.00 0.00 N ATOM 529 CA GLN A 37 -6.548 0.252 5.547 1.00 0.00 C ATOM 530 C GLN A 37 -7.821 -0.590 5.501 1.00 0.00 C ATOM 531 O GLN A 37 -7.913 -1.540 4.723 1.00 0.00 O ATOM 532 CB GLN A 37 -5.859 0.263 6.923 1.00 0.00 C ATOM 533 CG GLN A 37 -5.987 -1.036 7.742 1.00 0.00 C ATOM 534 CD GLN A 37 -6.572 -0.819 9.126 1.00 0.00 C ATOM 535 OE1 GLN A 37 -6.086 -0.012 9.914 1.00 0.00 O ATOM 536 NE2 GLN A 37 -7.597 -1.576 9.482 1.00 0.00 N ATOM 0 H GLN A 37 -6.441 2.311 5.819 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.856 -0.202 4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.800 0.477 6.777 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.272 1.083 7.510 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.615 -1.741 7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.003 -1.494 7.839 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.993 -2.243 8.819 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.991 -1.493 10.419 1.00 0.00 H new ATOM 545 N SER A 38 -8.798 -0.240 6.334 1.00 0.00 N ATOM 546 CA SER A 38 -10.000 -1.030 6.466 1.00 0.00 C ATOM 547 C SER A 38 -10.847 -0.946 5.184 1.00 0.00 C ATOM 548 O SER A 38 -11.491 -1.933 4.820 1.00 0.00 O ATOM 549 CB SER A 38 -10.764 -0.530 7.693 1.00 0.00 C ATOM 550 OG SER A 38 -11.827 -1.387 8.057 1.00 0.00 O ATOM 0 H SER A 38 -8.772 0.590 6.926 1.00 0.00 H new ATOM 0 HA SER A 38 -9.753 -2.083 6.605 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.075 -0.435 8.532 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.158 0.466 7.490 1.00 0.00 H new ATOM 0 HG SER A 38 -12.283 -1.026 8.846 1.00 0.00 H new ATOM 556 N ILE A 39 -10.860 0.206 4.495 1.00 0.00 N ATOM 557 CA ILE A 39 -11.620 0.405 3.257 1.00 0.00 C ATOM 558 C ILE A 39 -11.131 -0.577 2.189 1.00 0.00 C ATOM 559 O ILE A 39 -11.921 -1.324 1.616 1.00 0.00 O ATOM 560 CB ILE A 39 -11.599 1.879 2.786 1.00 0.00 C ATOM 561 CG1 ILE A 39 -12.312 2.725 3.859 1.00 0.00 C ATOM 562 CG2 ILE A 39 -12.278 2.044 1.413 1.00 0.00 C ATOM 563 CD1 ILE A 39 -12.538 4.186 3.504 1.00 0.00 C ATOM 0 H ILE A 39 -10.337 1.032 4.787 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.670 0.189 3.451 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.568 2.212 2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.278 2.268 4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.728 2.680 4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.245 3.092 1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.754 1.439 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.316 1.719 1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.046 4.686 4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.578 4.669 3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.152 4.251 2.606 1.00 0.00 H new ATOM 575 N TYR A 40 -9.833 -0.550 1.908 1.00 0.00 N ATOM 576 CA TYR A 40 -9.213 -1.210 0.769 1.00 0.00 C ATOM 577 C TYR A 40 -8.777 -2.640 1.102 1.00 0.00 C ATOM 578 O TYR A 40 -8.512 -3.429 0.192 1.00 0.00 O ATOM 579 CB TYR A 40 -8.026 -0.342 0.339 1.00 0.00 C ATOM 580 CG TYR A 40 -8.417 0.928 -0.409 1.00 0.00 C ATOM 581 CD1 TYR A 40 -8.736 2.114 0.287 1.00 0.00 C ATOM 582 CD2 TYR A 40 -8.338 0.968 -1.809 1.00 0.00 C ATOM 583 CE1 TYR A 40 -9.002 3.315 -0.394 1.00 0.00 C ATOM 584 CE2 TYR A 40 -8.603 2.160 -2.494 1.00 0.00 C ATOM 585 CZ TYR A 40 -8.970 3.330 -1.804 1.00 0.00 C ATOM 586 OH TYR A 40 -9.258 4.462 -2.499 1.00 0.00 O ATOM 0 H TYR A 40 -9.161 -0.049 2.489 1.00 0.00 H new ATOM 0 HA TYR A 40 -9.930 -1.308 -0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.453 -0.067 1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.368 -0.935 -0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.777 2.099 1.366 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -8.072 0.078 -2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.228 4.216 0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.524 2.182 -3.571 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.184 4.284 -3.460 1.00 0.00 H new ATOM 596 N GLY A 41 -8.711 -2.991 2.389 1.00 0.00 N ATOM 597 CA GLY A 41 -8.358 -4.324 2.854 1.00 0.00 C ATOM 598 C GLY A 41 -6.850 -4.498 2.996 1.00 0.00 C ATOM 599 O GLY A 41 -6.346 -5.617 2.868 1.00 0.00 O ATOM 0 H GLY A 41 -8.907 -2.339 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.837 -4.511 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.744 -5.066 2.155 1.00 0.00 H new ATOM 603 N ILE A 42 -6.127 -3.401 3.213 1.00 0.00 N ATOM 604 CA ILE A 42 -4.679 -3.364 3.367 1.00 0.00 C ATOM 605 C ILE A 42 -4.367 -3.456 4.871 1.00 0.00 C ATOM 606 O ILE A 42 -5.139 -2.915 5.663 1.00 0.00 O ATOM 607 CB ILE A 42 -4.135 -2.033 2.796 1.00 0.00 C ATOM 608 CG1 ILE A 42 -4.777 -1.508 1.507 1.00 0.00 C ATOM 609 CG2 ILE A 42 -2.613 -2.145 2.627 1.00 0.00 C ATOM 610 CD1 ILE A 42 -4.577 -2.346 0.257 1.00 0.00 C ATOM 0 H ILE A 42 -6.554 -2.478 3.289 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.211 -4.190 2.832 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.415 -1.283 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.848 -1.403 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.385 -0.509 1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.222 -1.210 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.153 -2.344 3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.382 -2.960 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.078 -1.869 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.512 -2.432 0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.997 -3.339 0.414 1.00 0.00 H new ATOM 622 N PRO A 43 -3.270 -4.086 5.322 1.00 0.00 N ATOM 623 CA PRO A 43 -2.830 -3.969 6.709 1.00 0.00 C ATOM 624 C PRO A 43 -2.339 -2.555 7.020 1.00 0.00 C ATOM 625 O PRO A 43 -1.734 -1.905 6.172 1.00 0.00 O ATOM 626 CB PRO A 43 -1.699 -4.976 6.889 1.00 0.00 C ATOM 627 CG PRO A 43 -1.396 -5.550 5.512 1.00 0.00 C ATOM 628 CD PRO A 43 -2.404 -4.951 4.547 1.00 0.00 C ATOM 0 HA PRO A 43 -3.656 -4.169 7.391 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.816 -4.494 7.310 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.991 -5.766 7.581 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.379 -5.305 5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.472 -6.637 5.523 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.899 -4.388 3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.981 -5.735 4.056 1.00 0.00 H new ATOM 636 N HIS A 44 -2.543 -2.108 8.259 1.00 0.00 N ATOM 637 CA HIS A 44 -2.214 -0.769 8.727 1.00 0.00 C ATOM 638 C HIS A 44 -0.714 -0.535 8.657 1.00 0.00 C ATOM 639 O HIS A 44 -0.294 0.434 8.043 1.00 0.00 O ATOM 640 CB HIS A 44 -2.716 -0.579 10.161 1.00 0.00 C ATOM 641 CG HIS A 44 -2.729 0.854 10.628 1.00 0.00 C ATOM 642 ND1 HIS A 44 -3.864 1.598 10.849 1.00 0.00 N ATOM 643 CD2 HIS A 44 -1.648 1.633 10.949 1.00 0.00 C ATOM 644 CE1 HIS A 44 -3.474 2.799 11.308 1.00 0.00 C ATOM 645 NE2 HIS A 44 -2.137 2.866 11.390 1.00 0.00 N ATOM 0 H HIS A 44 -2.956 -2.691 8.987 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.705 -0.041 8.081 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.726 -0.983 10.237 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.088 -1.163 10.834 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.825 1.294 10.693 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.609 1.347 10.875 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.146 3.601 11.575 1.00 0.00 H new ATOM 653 N SER A 45 0.088 -1.400 9.286 1.00 0.00 N ATOM 654 CA SER A 45 1.535 -1.232 9.369 1.00 0.00 C ATOM 655 C SER A 45 2.140 -1.147 7.966 1.00 0.00 C ATOM 656 O SER A 45 2.940 -0.257 7.680 1.00 0.00 O ATOM 657 CB SER A 45 2.128 -2.394 10.177 1.00 0.00 C ATOM 658 OG SER A 45 1.360 -2.624 11.352 1.00 0.00 O ATOM 0 H SER A 45 -0.254 -2.240 9.753 1.00 0.00 H new ATOM 0 HA SER A 45 1.775 -0.299 9.880 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.149 -3.297 9.566 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.159 -2.168 10.448 1.00 0.00 H new ATOM 0 HG SER A 45 1.749 -3.369 11.856 1.00 0.00 H new ATOM 664 N THR A 46 1.710 -2.047 7.078 1.00 0.00 N ATOM 665 CA THR A 46 2.128 -2.065 5.693 1.00 0.00 C ATOM 666 C THR A 46 1.692 -0.786 4.991 1.00 0.00 C ATOM 667 O THR A 46 2.541 -0.125 4.408 1.00 0.00 O ATOM 668 CB THR A 46 1.560 -3.323 5.027 1.00 0.00 C ATOM 669 OG1 THR A 46 1.970 -4.453 5.775 1.00 0.00 O ATOM 670 CG2 THR A 46 1.987 -3.471 3.561 1.00 0.00 C ATOM 0 H THR A 46 1.052 -2.790 7.314 1.00 0.00 H new ATOM 0 HA THR A 46 3.215 -2.101 5.622 1.00 0.00 H new ATOM 0 HB THR A 46 0.473 -3.238 5.019 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.899 -5.257 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.553 -4.380 3.146 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.638 -2.609 2.992 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.074 -3.528 3.503 1.00 0.00 H new ATOM 678 N LEU A 47 0.407 -0.424 5.039 1.00 0.00 N ATOM 679 CA LEU A 47 -0.109 0.783 4.418 1.00 0.00 C ATOM 680 C LEU A 47 0.716 1.973 4.874 1.00 0.00 C ATOM 681 O LEU A 47 1.182 2.727 4.037 1.00 0.00 O ATOM 682 CB LEU A 47 -1.592 0.997 4.762 1.00 0.00 C ATOM 683 CG LEU A 47 -2.158 2.254 4.074 1.00 0.00 C ATOM 684 CD1 LEU A 47 -2.336 2.032 2.579 1.00 0.00 C ATOM 685 CD2 LEU A 47 -3.550 2.575 4.603 1.00 0.00 C ATOM 0 H LEU A 47 -0.307 -0.973 5.518 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.034 0.678 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.167 0.123 4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.706 1.090 5.842 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.449 3.057 4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.737 2.937 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.372 1.795 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.027 1.205 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.932 3.466 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.217 1.735 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.499 2.754 5.677 1.00 0.00 H new ATOM 697 N GLU A 48 0.919 2.132 6.180 1.00 0.00 N ATOM 698 CA GLU A 48 1.662 3.220 6.762 1.00 0.00 C ATOM 699 C GLU A 48 3.056 3.292 6.121 1.00 0.00 C ATOM 700 O GLU A 48 3.407 4.299 5.506 1.00 0.00 O ATOM 701 CB GLU A 48 1.733 3.018 8.284 1.00 0.00 C ATOM 702 CG GLU A 48 2.009 4.389 8.887 1.00 0.00 C ATOM 703 CD GLU A 48 2.360 4.384 10.366 1.00 0.00 C ATOM 704 OE1 GLU A 48 3.200 3.548 10.785 1.00 0.00 O ATOM 705 OE2 GLU A 48 1.849 5.271 11.080 1.00 0.00 O ATOM 0 H GLU A 48 0.555 1.480 6.875 1.00 0.00 H new ATOM 0 HA GLU A 48 1.166 4.172 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.798 2.607 8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.522 2.313 8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.828 4.853 8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.130 5.017 8.740 1.00 0.00 H new ATOM 712 N TYR A 49 3.828 2.203 6.216 1.00 0.00 N ATOM 713 CA TYR A 49 5.145 2.067 5.605 1.00 0.00 C ATOM 714 C TYR A 49 5.107 2.451 4.129 1.00 0.00 C ATOM 715 O TYR A 49 5.990 3.162 3.668 1.00 0.00 O ATOM 716 CB TYR A 49 5.633 0.612 5.747 1.00 0.00 C ATOM 717 CG TYR A 49 6.833 0.272 4.883 1.00 0.00 C ATOM 718 CD1 TYR A 49 6.609 -0.192 3.577 1.00 0.00 C ATOM 719 CD2 TYR A 49 8.151 0.474 5.331 1.00 0.00 C ATOM 720 CE1 TYR A 49 7.680 -0.442 2.704 1.00 0.00 C ATOM 721 CE2 TYR A 49 9.233 0.212 4.469 1.00 0.00 C ATOM 722 CZ TYR A 49 9.006 -0.238 3.146 1.00 0.00 C ATOM 723 OH TYR A 49 10.063 -0.522 2.334 1.00 0.00 O ATOM 0 H TYR A 49 3.542 1.373 6.735 1.00 0.00 H new ATOM 0 HA TYR A 49 5.832 2.740 6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.886 0.426 6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.814 -0.061 5.493 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.597 -0.359 3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.333 0.829 6.335 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.491 -0.789 1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.244 0.355 4.820 1.00 0.00 H new ATOM 0 HH TYR A 49 10.899 -0.319 2.803 1.00 0.00 H new ATOM 733 N LYS A 50 4.137 1.948 3.373 1.00 0.00 N ATOM 734 CA LYS A 50 4.070 2.062 1.923 1.00 0.00 C ATOM 735 C LYS A 50 3.641 3.459 1.490 1.00 0.00 C ATOM 736 O LYS A 50 4.176 3.956 0.507 1.00 0.00 O ATOM 737 CB LYS A 50 3.061 1.016 1.432 1.00 0.00 C ATOM 738 CG LYS A 50 3.533 -0.438 1.407 1.00 0.00 C ATOM 739 CD LYS A 50 4.758 -0.580 0.508 1.00 0.00 C ATOM 740 CE LYS A 50 5.100 -2.016 0.130 1.00 0.00 C ATOM 741 NZ LYS A 50 6.246 -2.028 -0.799 1.00 0.00 N ATOM 0 H LYS A 50 3.350 1.433 3.767 1.00 0.00 H new ATOM 0 HA LYS A 50 5.056 1.889 1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.175 1.075 2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.751 1.290 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.775 -0.767 2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.731 -1.082 1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.592 -0.007 -0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.616 -0.136 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.339 -2.590 1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.238 -2.495 -0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.881 -2.815 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.902 -2.148 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.764 -1.129 -0.723 1.00 0.00 H new ATOM 755 N VAL A 51 2.765 4.135 2.231 1.00 0.00 N ATOM 756 CA VAL A 51 2.536 5.567 2.092 1.00 0.00 C ATOM 757 C VAL A 51 3.890 6.270 2.221 1.00 0.00 C ATOM 758 O VAL A 51 4.254 7.068 1.365 1.00 0.00 O ATOM 759 CB VAL A 51 1.518 6.042 3.156 1.00 0.00 C ATOM 760 CG1 VAL A 51 1.352 7.562 3.176 1.00 0.00 C ATOM 761 CG2 VAL A 51 0.102 5.487 2.964 1.00 0.00 C ATOM 0 H VAL A 51 2.190 3.697 2.951 1.00 0.00 H new ATOM 0 HA VAL A 51 2.106 5.810 1.120 1.00 0.00 H new ATOM 0 HB VAL A 51 1.952 5.666 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.626 7.839 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.311 8.030 3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.000 7.902 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.548 5.869 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.282 5.799 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.128 4.398 3.011 1.00 0.00 H new ATOM 771 N LYS A 52 4.640 5.965 3.280 1.00 0.00 N ATOM 772 CA LYS A 52 5.904 6.614 3.650 1.00 0.00 C ATOM 773 C LYS A 52 7.035 6.285 2.691 1.00 0.00 C ATOM 774 O LYS A 52 7.933 7.091 2.479 1.00 0.00 O ATOM 775 CB LYS A 52 6.173 6.247 5.114 1.00 0.00 C ATOM 776 CG LYS A 52 5.188 7.078 5.954 1.00 0.00 C ATOM 777 CD LYS A 52 4.768 6.413 7.259 1.00 0.00 C ATOM 778 CE LYS A 52 5.485 6.980 8.481 1.00 0.00 C ATOM 779 NZ LYS A 52 6.897 6.559 8.576 1.00 0.00 N ATOM 0 H LYS A 52 4.375 5.228 3.933 1.00 0.00 H new ATOM 0 HA LYS A 52 5.833 7.698 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.024 5.180 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.204 6.471 5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.644 8.042 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.298 7.278 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.692 6.531 7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.965 5.343 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.439 8.069 8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.958 6.666 9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.327 6.977 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.947 5.522 8.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.413 6.881 7.733 1.00 0.00 H new ATOM 793 N GLU A 53 6.934 5.137 2.049 1.00 0.00 N ATOM 794 CA GLU A 53 7.752 4.698 0.948 1.00 0.00 C ATOM 795 C GLU A 53 7.422 5.584 -0.261 1.00 0.00 C ATOM 796 O GLU A 53 8.253 6.319 -0.784 1.00 0.00 O ATOM 797 CB GLU A 53 7.470 3.196 0.700 1.00 0.00 C ATOM 798 CG GLU A 53 8.575 2.641 -0.175 1.00 0.00 C ATOM 799 CD GLU A 53 8.343 1.279 -0.838 1.00 0.00 C ATOM 800 OE1 GLU A 53 7.483 0.473 -0.410 1.00 0.00 O ATOM 801 OE2 GLU A 53 8.925 1.050 -1.917 1.00 0.00 O ATOM 0 H GLU A 53 6.230 4.445 2.304 1.00 0.00 H new ATOM 0 HA GLU A 53 8.819 4.795 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.428 2.657 1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.502 3.067 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.776 3.367 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.478 2.570 0.431 1.00 0.00 H new ATOM 808 N ARG A 54 6.179 5.545 -0.731 1.00 0.00 N ATOM 809 CA ARG A 54 5.766 6.229 -1.951 1.00 0.00 C ATOM 810 C ARG A 54 5.764 7.754 -1.818 1.00 0.00 C ATOM 811 O ARG A 54 5.659 8.431 -2.840 1.00 0.00 O ATOM 812 CB ARG A 54 4.404 5.661 -2.370 1.00 0.00 C ATOM 813 CG ARG A 54 4.503 4.227 -2.903 1.00 0.00 C ATOM 814 CD ARG A 54 4.826 4.274 -4.398 1.00 0.00 C ATOM 815 NE ARG A 54 5.561 3.081 -4.836 1.00 0.00 N ATOM 816 CZ ARG A 54 5.286 2.342 -5.914 1.00 0.00 C ATOM 817 NH1 ARG A 54 4.273 2.622 -6.731 1.00 0.00 N ATOM 818 NH2 ARG A 54 6.078 1.307 -6.159 1.00 0.00 N ATOM 0 H ARG A 54 5.425 5.034 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 54 6.498 6.039 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.727 5.681 -1.516 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.968 6.301 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.278 3.679 -2.367 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.565 3.698 -2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.900 4.360 -4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.417 5.164 -4.614 1.00 0.00 H new ATOM 0 HE ARG A 54 6.354 2.790 -4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.674 3.426 -6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.096 2.033 -7.544 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.859 1.104 -5.535 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.906 0.714 -6.971 1.00 0.00 H new ATOM 832 N LEU A 55 5.880 8.299 -0.609 1.00 0.00 N ATOM 833 CA LEU A 55 5.764 9.706 -0.209 1.00 0.00 C ATOM 834 C LEU A 55 6.776 10.641 -0.864 1.00 0.00 C ATOM 835 O LEU A 55 6.782 11.841 -0.574 1.00 0.00 O ATOM 836 CB LEU A 55 5.877 9.794 1.327 1.00 0.00 C ATOM 837 CG LEU A 55 4.579 10.337 1.968 1.00 0.00 C ATOM 838 CD1 LEU A 55 4.580 10.132 3.488 1.00 0.00 C ATOM 839 CD2 LEU A 55 4.359 11.822 1.653 1.00 0.00 C ATOM 0 H LEU A 55 6.078 7.709 0.199 1.00 0.00 H new ATOM 0 HA LEU A 55 4.791 10.051 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.097 8.806 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.712 10.441 1.594 1.00 0.00 H new ATOM 0 HG LEU A 55 3.758 9.768 1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.654 10.524 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.658 9.068 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.429 10.658 3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.436 12.161 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.197 12.404 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.288 11.958 0.574 1.00 0.00 H new ATOM 851 N GLY A 56 7.670 10.114 -1.689 1.00 0.00 N ATOM 852 CA GLY A 56 8.695 10.853 -2.395 1.00 0.00 C ATOM 853 C GLY A 56 10.098 10.396 -2.013 1.00 0.00 C ATOM 854 O GLY A 56 11.058 10.749 -2.696 1.00 0.00 O ATOM 0 H GLY A 56 7.698 9.114 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.554 10.731 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.589 11.916 -2.178 1.00 0.00 H new ATOM 858 N THR A 57 10.220 9.582 -0.960 1.00 0.00 N ATOM 859 CA THR A 57 11.497 9.229 -0.355 1.00 0.00 C ATOM 860 C THR A 57 12.372 8.369 -1.290 1.00 0.00 C ATOM 861 O THR A 57 13.579 8.248 -1.081 1.00 0.00 O ATOM 862 CB THR A 57 11.193 8.619 1.030 1.00 0.00 C ATOM 863 OG1 THR A 57 12.160 8.978 1.997 1.00 0.00 O ATOM 864 CG2 THR A 57 10.954 7.123 1.059 1.00 0.00 C ATOM 0 H THR A 57 9.420 9.146 -0.501 1.00 0.00 H new ATOM 0 HA THR A 57 12.123 10.108 -0.201 1.00 0.00 H new ATOM 0 HB THR A 57 10.234 9.068 1.288 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.928 8.572 2.858 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.751 6.807 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.100 6.879 0.427 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.839 6.606 0.689 1.00 0.00 H new ATOM 872 N LEU A 58 11.774 7.785 -2.331 1.00 0.00 N ATOM 873 CA LEU A 58 12.360 6.806 -3.238 1.00 0.00 C ATOM 874 C LEU A 58 13.321 7.469 -4.226 1.00 0.00 C ATOM 875 O LEU A 58 14.480 7.061 -4.350 1.00 0.00 O ATOM 876 CB LEU A 58 11.208 6.097 -3.980 1.00 0.00 C ATOM 877 CG LEU A 58 10.364 5.208 -3.041 1.00 0.00 C ATOM 878 CD1 LEU A 58 8.963 4.971 -3.636 1.00 0.00 C ATOM 879 CD2 LEU A 58 11.086 3.868 -2.834 1.00 0.00 C ATOM 0 H LEU A 58 10.807 7.999 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 58 12.944 6.081 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.564 6.844 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.619 5.485 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 58 10.244 5.711 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.382 4.343 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.457 5.927 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.057 4.475 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.495 3.235 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.211 3.370 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.064 4.047 -2.388 1.00 0.00 H new ATOM 891 N LYS A 59 12.850 8.477 -4.969 1.00 0.00 N ATOM 892 CA LYS A 59 13.642 9.179 -5.978 1.00 0.00 C ATOM 893 C LYS A 59 14.538 10.217 -5.291 1.00 0.00 C ATOM 894 O LYS A 59 14.437 11.410 -5.583 1.00 0.00 O ATOM 895 CB LYS A 59 12.731 9.822 -7.041 1.00 0.00 C ATOM 896 CG LYS A 59 11.748 8.882 -7.755 1.00 0.00 C ATOM 897 CD LYS A 59 12.340 7.854 -8.729 1.00 0.00 C ATOM 898 CE LYS A 59 11.228 6.942 -9.283 1.00 0.00 C ATOM 899 NZ LYS A 59 10.212 7.654 -10.094 1.00 0.00 N ATOM 0 H LYS A 59 11.897 8.830 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 59 14.280 8.465 -6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.158 10.618 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.363 10.292 -7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.185 8.341 -6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.033 9.495 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.842 8.367 -9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.094 7.253 -8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.683 6.161 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.730 6.446 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.568 6.963 -10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.669 8.298 -9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.685 8.202 -10.840 1.00 0.00 H new ATOM 913 N ASN A 60 15.453 9.778 -4.422 1.00 0.00 N ATOM 914 CA ASN A 60 16.446 10.637 -3.769 1.00 0.00 C ATOM 915 C ASN A 60 17.859 10.268 -4.240 1.00 0.00 C ATOM 916 O ASN A 60 18.639 9.685 -3.482 1.00 0.00 O ATOM 917 CB ASN A 60 16.282 10.594 -2.237 1.00 0.00 C ATOM 918 CG ASN A 60 15.202 11.560 -1.773 1.00 0.00 C ATOM 919 OD1 ASN A 60 15.284 12.754 -2.040 1.00 0.00 O ATOM 920 ND2 ASN A 60 14.176 11.097 -1.090 1.00 0.00 N ATOM 0 H ASN A 60 15.526 8.798 -4.147 1.00 0.00 H new ATOM 0 HA ASN A 60 16.279 11.674 -4.062 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.027 9.581 -1.924 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.229 10.846 -1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.442 11.733 -0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.115 10.102 -0.872 1.00 0.00 H new ATOM 927 N PRO A 61 18.220 10.565 -5.503 1.00 0.00 N ATOM 928 CA PRO A 61 19.589 10.430 -5.978 1.00 0.00 C ATOM 929 C PRO A 61 20.448 11.618 -5.517 1.00 0.00 C ATOM 930 O PRO A 61 19.896 12.640 -5.103 1.00 0.00 O ATOM 931 CB PRO A 61 19.449 10.413 -7.500 1.00 0.00 C ATOM 932 CG PRO A 61 18.309 11.402 -7.738 1.00 0.00 C ATOM 933 CD PRO A 61 17.383 11.118 -6.560 1.00 0.00 C ATOM 0 HA PRO A 61 20.083 9.538 -5.593 1.00 0.00 H new ATOM 0 HB2 PRO A 61 20.368 10.726 -7.996 1.00 0.00 H new ATOM 0 HB3 PRO A 61 19.208 9.418 -7.874 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.660 12.434 -7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.815 11.231 -8.694 1.00 0.00 H new ATOM 0 HD2 PRO A 61 16.888 12.030 -6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 61 16.599 10.415 -6.843 1.00 0.00 H new ATOM 941 N PRO A 62 21.784 11.552 -5.682 1.00 0.00 N ATOM 942 CA PRO A 62 22.638 12.708 -5.459 1.00 0.00 C ATOM 943 C PRO A 62 22.272 13.827 -6.438 1.00 0.00 C ATOM 944 O PRO A 62 21.882 14.907 -5.990 1.00 0.00 O ATOM 945 CB PRO A 62 24.080 12.211 -5.584 1.00 0.00 C ATOM 946 CG PRO A 62 23.959 10.953 -6.441 1.00 0.00 C ATOM 947 CD PRO A 62 22.585 10.398 -6.066 1.00 0.00 C ATOM 0 HA PRO A 62 22.507 13.148 -4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 62 24.720 12.956 -6.056 1.00 0.00 H new ATOM 0 HB3 PRO A 62 24.513 11.990 -4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 62 24.022 11.184 -7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 62 24.754 10.240 -6.222 1.00 0.00 H new ATOM 0 HD2 PRO A 62 22.134 9.870 -6.906 1.00 0.00 H new ATOM 0 HD3 PRO A 62 22.662 9.684 -5.246 1.00 0.00 H new ATOM 955 N LYS A 63 22.369 13.579 -7.755 1.00 0.00 N ATOM 956 CA LYS A 63 21.865 14.488 -8.790 1.00 0.00 C ATOM 957 C LYS A 63 21.293 13.749 -10.004 1.00 0.00 C ATOM 958 O LYS A 63 20.292 14.212 -10.553 1.00 0.00 O ATOM 959 CB LYS A 63 22.941 15.492 -9.252 1.00 0.00 C ATOM 960 CG LYS A 63 23.468 16.421 -8.146 1.00 0.00 C ATOM 961 CD LYS A 63 24.397 17.509 -8.707 1.00 0.00 C ATOM 962 CE LYS A 63 25.195 18.197 -7.588 1.00 0.00 C ATOM 963 NZ LYS A 63 24.364 19.079 -6.741 1.00 0.00 N ATOM 0 H LYS A 63 22.803 12.736 -8.130 1.00 0.00 H new ATOM 0 HA LYS A 63 21.051 15.038 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 63 23.780 14.937 -9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 63 22.528 16.103 -10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.627 16.890 -7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 63 24.006 15.832 -7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.085 17.066 -9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 63 23.807 18.251 -9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 63 25.661 17.436 -6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 63 26.000 18.783 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.957 19.514 -6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 23.939 19.824 -7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 23.611 18.520 -6.292 1.00 0.00 H new ATOM 977 N LYS A 64 21.902 12.648 -10.477 1.00 0.00 N ATOM 978 CA LYS A 64 21.431 11.968 -11.694 1.00 0.00 C ATOM 979 C LYS A 64 20.002 11.449 -11.543 1.00 0.00 C ATOM 980 O LYS A 64 19.655 10.915 -10.488 1.00 0.00 O ATOM 981 CB LYS A 64 22.380 10.839 -12.135 1.00 0.00 C ATOM 982 CG LYS A 64 22.476 9.644 -11.170 1.00 0.00 C ATOM 983 CD LYS A 64 23.312 8.494 -11.744 1.00 0.00 C ATOM 984 CE LYS A 64 23.099 7.270 -10.847 1.00 0.00 C ATOM 985 NZ LYS A 64 23.896 6.097 -11.252 1.00 0.00 N ATOM 0 H LYS A 64 22.714 12.214 -10.039 1.00 0.00 H new ATOM 0 HA LYS A 64 21.429 12.721 -12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 64 22.054 10.473 -13.109 1.00 0.00 H new ATOM 0 HB3 LYS A 64 23.378 11.257 -12.269 1.00 0.00 H new ATOM 0 HG2 LYS A 64 22.916 9.975 -10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.473 9.282 -10.943 1.00 0.00 H new ATOM 0 HD2 LYS A 64 23.009 8.275 -12.768 1.00 0.00 H new ATOM 0 HD3 LYS A 64 24.367 8.766 -11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 64 23.352 7.534 -9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.042 7.002 -10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 23.704 5.306 -10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.639 5.821 -12.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 24.908 6.336 -11.217 1.00 0.00 H new ATOM 999 N LYS A 65 19.195 11.475 -12.606 1.00 0.00 N ATOM 1000 CA LYS A 65 17.858 10.875 -12.608 1.00 0.00 C ATOM 1001 C LYS A 65 17.703 9.919 -13.785 1.00 0.00 C ATOM 1002 O LYS A 65 17.064 10.236 -14.784 1.00 0.00 O ATOM 1003 CB LYS A 65 16.757 11.939 -12.454 1.00 0.00 C ATOM 1004 CG LYS A 65 16.697 13.014 -13.555 1.00 0.00 C ATOM 1005 CD LYS A 65 16.586 14.424 -12.967 1.00 0.00 C ATOM 1006 CE LYS A 65 17.934 14.894 -12.418 1.00 0.00 C ATOM 1007 NZ LYS A 65 17.873 16.308 -12.011 1.00 0.00 N ATOM 0 H LYS A 65 19.450 11.913 -13.491 1.00 0.00 H new ATOM 0 HA LYS A 65 17.733 10.250 -11.724 1.00 0.00 H new ATOM 0 HB2 LYS A 65 15.793 11.432 -12.416 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.893 12.438 -11.494 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.590 12.948 -14.176 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.843 12.822 -14.204 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.240 15.116 -13.735 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.842 14.433 -12.171 1.00 0.00 H new ATOM 0 HE2 LYS A 65 18.218 14.278 -11.565 1.00 0.00 H new ATOM 0 HE3 LYS A 65 18.706 14.763 -13.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 18.799 16.603 -11.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.624 16.895 -12.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.152 16.425 -11.271 1.00 0.00 H new ATOM 1021 N MET A 66 18.276 8.721 -13.633 1.00 0.00 N ATOM 1022 CA MET A 66 18.105 7.577 -14.525 1.00 0.00 C ATOM 1023 C MET A 66 18.407 7.958 -15.981 1.00 0.00 C ATOM 1024 O MET A 66 17.548 7.856 -16.860 1.00 0.00 O ATOM 1025 CB MET A 66 16.709 6.946 -14.345 1.00 0.00 C ATOM 1026 CG MET A 66 16.398 6.442 -12.929 1.00 0.00 C ATOM 1027 SD MET A 66 15.978 7.692 -11.676 1.00 0.00 S ATOM 1028 CE MET A 66 15.444 6.576 -10.356 1.00 0.00 C ATOM 0 H MET A 66 18.898 8.516 -12.851 1.00 0.00 H new ATOM 0 HA MET A 66 18.832 6.812 -14.253 1.00 0.00 H new ATOM 0 HB2 MET A 66 15.956 7.683 -14.625 1.00 0.00 H new ATOM 0 HB3 MET A 66 16.612 6.112 -15.040 1.00 0.00 H new ATOM 0 HG2 MET A 66 15.568 5.738 -12.995 1.00 0.00 H new ATOM 0 HG3 MET A 66 17.263 5.883 -12.572 1.00 0.00 H new ATOM 0 HE1 MET A 66 15.142 7.159 -9.486 1.00 0.00 H new ATOM 0 HE2 MET A 66 14.601 5.979 -10.703 1.00 0.00 H new ATOM 0 HE3 MET A 66 16.267 5.916 -10.082 1.00 0.00 H new ATOM 1038 N LYS A 67 19.653 8.376 -16.237 1.00 0.00 N ATOM 1039 CA LYS A 67 20.127 9.062 -17.442 1.00 0.00 C ATOM 1040 C LYS A 67 19.469 10.423 -17.634 1.00 0.00 C ATOM 1041 O LYS A 67 20.195 11.411 -17.671 1.00 0.00 O ATOM 1042 CB LYS A 67 20.063 8.204 -18.723 1.00 0.00 C ATOM 1043 CG LYS A 67 21.191 7.168 -18.803 1.00 0.00 C ATOM 1044 CD LYS A 67 21.139 6.409 -20.136 1.00 0.00 C ATOM 1045 CE LYS A 67 22.375 5.514 -20.293 1.00 0.00 C ATOM 1046 NZ LYS A 67 22.247 4.589 -21.439 1.00 0.00 N ATOM 0 H LYS A 67 20.405 8.234 -15.563 1.00 0.00 H new ATOM 0 HA LYS A 67 21.188 9.237 -17.264 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.102 7.691 -18.764 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.113 8.857 -19.595 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.156 7.665 -18.700 1.00 0.00 H new ATOM 0 HG3 LYS A 67 21.104 6.464 -17.975 1.00 0.00 H new ATOM 0 HD2 LYS A 67 20.235 5.802 -20.180 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.088 7.117 -20.963 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.259 6.137 -20.427 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.525 4.940 -19.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.103 4.003 -21.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 21.418 3.976 -21.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 22.129 5.136 -22.315 1.00 0.00 H new ATOM 1060 N LEU A 68 18.144 10.497 -17.777 1.00 0.00 N ATOM 1061 CA LEU A 68 17.440 11.654 -18.333 1.00 0.00 C ATOM 1062 C LEU A 68 18.171 12.132 -19.590 1.00 0.00 C ATOM 1063 O LEU A 68 18.636 13.268 -19.681 1.00 0.00 O ATOM 1064 CB LEU A 68 17.244 12.749 -17.270 1.00 0.00 C ATOM 1065 CG LEU A 68 16.338 13.909 -17.735 1.00 0.00 C ATOM 1066 CD1 LEU A 68 14.864 13.498 -17.779 1.00 0.00 C ATOM 1067 CD2 LEU A 68 16.495 15.076 -16.764 1.00 0.00 C ATOM 0 H LEU A 68 17.518 9.739 -17.504 1.00 0.00 H new ATOM 0 HA LEU A 68 16.432 11.371 -18.636 1.00 0.00 H new ATOM 0 HB2 LEU A 68 16.814 12.301 -16.374 1.00 0.00 H new ATOM 0 HB3 LEU A 68 18.218 13.150 -16.990 1.00 0.00 H new ATOM 0 HG LEU A 68 16.641 14.192 -18.743 1.00 0.00 H new ATOM 0 HD11 LEU A 68 14.260 14.343 -18.111 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.739 12.667 -18.473 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.542 13.191 -16.784 1.00 0.00 H new ATOM 0 HD21 LEU A 68 15.859 15.902 -17.082 1.00 0.00 H new ATOM 0 HD22 LEU A 68 16.203 14.758 -15.763 1.00 0.00 H new ATOM 0 HD23 LEU A 68 17.535 15.402 -16.752 1.00 0.00 H new ATOM 1079 N MET A 69 18.338 11.215 -20.539 1.00 0.00 N ATOM 1080 CA MET A 69 18.925 11.482 -21.837 1.00 0.00 C ATOM 1081 C MET A 69 18.119 10.717 -22.875 1.00 0.00 C ATOM 1082 O MET A 69 18.443 9.569 -23.198 1.00 0.00 O ATOM 1083 CB MET A 69 20.417 11.123 -21.871 1.00 0.00 C ATOM 1084 CG MET A 69 21.258 12.060 -20.999 1.00 0.00 C ATOM 1085 SD MET A 69 23.039 11.734 -21.011 1.00 0.00 S ATOM 1086 CE MET A 69 23.393 12.120 -22.750 1.00 0.00 C ATOM 0 H MET A 69 18.059 10.241 -20.417 1.00 0.00 H new ATOM 0 HA MET A 69 18.882 12.549 -22.058 1.00 0.00 H new ATOM 0 HB2 MET A 69 20.550 10.096 -21.530 1.00 0.00 H new ATOM 0 HB3 MET A 69 20.776 11.167 -22.899 1.00 0.00 H new ATOM 0 HG2 MET A 69 21.090 13.085 -21.329 1.00 0.00 H new ATOM 0 HG3 MET A 69 20.900 11.993 -19.972 1.00 0.00 H new ATOM 0 HE1 MET A 69 24.465 12.271 -22.878 1.00 0.00 H new ATOM 0 HE2 MET A 69 23.065 11.294 -23.380 1.00 0.00 H new ATOM 0 HE3 MET A 69 22.862 13.028 -23.036 1.00 0.00 H new ATOM 1096 N ARG A 70 17.070 11.355 -23.384 1.00 0.00 N ATOM 1097 CA ARG A 70 16.446 11.068 -24.659 1.00 0.00 C ATOM 1098 C ARG A 70 16.429 12.400 -25.367 1.00 0.00 C ATOM 1099 O ARG A 70 15.781 13.333 -24.851 1.00 0.00 O ATOM 1100 CB ARG A 70 15.049 10.473 -24.497 1.00 0.00 C ATOM 1101 CG ARG A 70 14.486 10.106 -25.877 1.00 0.00 C ATOM 1102 CD ARG A 70 13.098 9.480 -25.771 1.00 0.00 C ATOM 1103 NE ARG A 70 12.549 9.180 -27.103 1.00 0.00 N ATOM 1104 CZ ARG A 70 12.598 8.034 -27.796 1.00 0.00 C ATOM 1105 NH1 ARG A 70 13.176 6.942 -27.310 1.00 0.00 N ATOM 1106 NH2 ARG A 70 12.005 7.990 -28.976 1.00 0.00 N ATOM 0 H ARG A 70 16.614 12.122 -22.890 1.00 0.00 H new ATOM 0 HA ARG A 70 16.988 10.311 -25.225 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.090 9.588 -23.862 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.392 11.189 -24.003 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.436 11.000 -26.499 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.162 9.410 -26.373 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.153 8.564 -25.182 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.429 10.159 -25.243 1.00 0.00 H new ATOM 0 HE ARG A 70 12.064 9.951 -27.562 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.600 6.959 -26.383 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.196 6.086 -27.864 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.526 8.815 -29.337 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.026 7.131 -29.526 1.00 0.00 H new TER 1120 ARG A 70