USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 823 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 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 1 GLY N :NH3+ -168:sc= 0.899 (180deg=0.566) USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= 0.229 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -151:sc= 0.863 (180deg=0.023) USER MOD Single : A 9 ASN : amide:sc= 0.525 K(o=0.52,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= -0.629 K(o=-0.63,f=-2.7!) USER MOD Single : A 20 HIS : no HE2:sc= -3.76! C(o=-3.8!,f=-3.9!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 34 GLN : amide:sc= -0.175 K(o=-0.18,f=-2!) USER MOD Single : A 35 SER OG : rot 88:sc= 0.706 USER MOD Single : A 39 THR OG1 : rot 159:sc= -0.406 USER MOD Single : A 40 ASN : amide:sc= -0.15 K(o=-0.15,f=-3!) USER MOD Single : A 41 SER OG : rot 160:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 1.06 (180deg=0.961) USER MOD Single : A 49 LYS NZ :NH3+ 179:sc= 0.0391 (180deg=0.0158) USER MOD Single : A 53 SER OG : rot 18:sc= 0.924 USER MOD Single : A 54 ASN : amide:sc= 0.0862 K(o=0.086,f=-1.5) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0039 USER MOD Single : A 61 THR OG1 : rot 42:sc= -0.159 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 HIS : no HE2:sc= -3.72 K(o=-3.7,f=-8.7!) USER MOD Single : A 76 SER OG : rot -138:sc= 0.674 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -165:sc= -0.0273 (180deg=-0.214) USER MOD Single : A 86 GLN : amide:sc= -0.185 K(o=-0.18,f=-1.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.3) USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= 0.223 (180deg=0.0819) USER MOD Single : A 92 THR OG1 : rot -88:sc= -0.507 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.0659 X(o=-0.066,f=-0.066) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.9!) USER MOD Single : A 106 SER OG : rot 2:sc= 0.352 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.746 7.084 8.447 1.00 13.95 N ATOM 2 CA GLY A 1 -4.020 6.627 9.022 1.00 14.11 C ATOM 3 C GLY A 1 -4.099 6.875 10.522 1.00 14.91 C ATOM 4 O GLY A 1 -4.683 6.073 11.244 1.00 15.60 O ATOM 0 H1 GLY A 1 -2.814 7.084 7.409 1.00 13.95 H new ATOM 0 H2 GLY A 1 -2.540 8.047 8.781 1.00 13.95 H new ATOM 0 H3 GLY A 1 -1.982 6.444 8.744 1.00 13.95 H new ATOM 0 HA2 GLY A 1 -4.844 7.141 8.527 1.00 14.11 H new ATOM 0 HA3 GLY A 1 -4.144 5.562 8.825 1.00 14.11 H new ATOM 10 N SER A 2 -3.555 7.988 11.024 1.00 15.08 N ATOM 11 CA SER A 2 -3.730 8.373 12.419 1.00 16.01 C ATOM 12 C SER A 2 -3.715 9.893 12.493 1.00 15.86 C ATOM 13 O SER A 2 -4.729 10.519 12.800 1.00 16.07 O ATOM 14 CB SER A 2 -2.610 7.788 13.285 1.00 17.21 C ATOM 15 OG SER A 2 -2.600 6.378 13.255 1.00 17.64 O ATOM 0 H SER A 2 -2.988 8.637 10.479 1.00 15.08 H new ATOM 0 HA SER A 2 -4.676 7.985 12.796 1.00 16.01 H new ATOM 0 HB2 SER A 2 -1.648 8.165 12.937 1.00 17.21 H new ATOM 0 HB3 SER A 2 -2.732 8.128 14.313 1.00 17.21 H new ATOM 0 HG SER A 2 -1.871 6.044 13.818 1.00 17.64 H new ATOM 21 N LYS A 3 -2.553 10.480 12.194 1.00 15.62 N ATOM 22 CA LYS A 3 -2.364 11.911 12.038 1.00 15.48 C ATOM 23 C LYS A 3 -0.962 12.108 11.471 1.00 15.28 C ATOM 24 O LYS A 3 -0.781 12.040 10.256 1.00 14.35 O ATOM 25 CB LYS A 3 -2.645 12.656 13.364 1.00 16.15 C ATOM 26 CG LYS A 3 -3.874 13.566 13.237 1.00 15.81 C ATOM 27 CD LYS A 3 -4.486 13.852 14.612 1.00 16.69 C ATOM 28 CE LYS A 3 -5.223 12.632 15.179 1.00 17.19 C ATOM 29 NZ LYS A 3 -6.376 12.232 14.343 1.00 16.99 N ATOM 0 H LYS A 3 -1.694 9.948 12.051 1.00 15.62 H new ATOM 0 HA LYS A 3 -3.078 12.351 11.341 1.00 15.48 H new ATOM 0 HB2 LYS A 3 -2.805 11.933 14.164 1.00 16.15 H new ATOM 0 HB3 LYS A 3 -1.775 13.251 13.642 1.00 16.15 H new ATOM 0 HG2 LYS A 3 -3.590 14.503 12.759 1.00 15.81 H new ATOM 0 HG3 LYS A 3 -4.617 13.093 12.595 1.00 15.81 H new ATOM 0 HD2 LYS A 3 -3.699 14.153 15.303 1.00 16.69 H new ATOM 0 HD3 LYS A 3 -5.179 14.690 14.533 1.00 16.69 H new ATOM 0 HE2 LYS A 3 -4.528 11.796 15.259 1.00 17.19 H new ATOM 0 HE3 LYS A 3 -5.569 12.856 16.188 1.00 17.19 H new ATOM 0 HZ1 LYS A 3 -7.099 11.784 14.941 1.00 16.99 H new ATOM 0 HZ2 LYS A 3 -6.779 13.073 13.883 1.00 16.99 H new ATOM 0 HZ3 LYS A 3 -6.061 11.558 13.617 1.00 16.99 H new ATOM 43 N GLY A 4 0.043 12.259 12.330 1.00 16.36 N ATOM 44 CA GLY A 4 1.349 12.715 11.894 1.00 16.28 C ATOM 45 C GLY A 4 1.335 14.230 11.763 1.00 15.58 C ATOM 46 O GLY A 4 0.354 14.886 12.109 1.00 15.46 O ATOM 0 H GLY A 4 -0.027 12.071 13.330 1.00 16.36 H new ATOM 0 HA2 GLY A 4 2.112 12.407 12.609 1.00 16.28 H new ATOM 0 HA3 GLY A 4 1.606 12.258 10.938 1.00 16.28 H new ATOM 50 N VAL A 5 2.455 14.774 11.297 1.00 15.38 N ATOM 51 CA VAL A 5 2.617 16.200 11.070 1.00 14.78 C ATOM 52 C VAL A 5 1.876 16.643 9.803 1.00 12.63 C ATOM 53 O VAL A 5 1.139 15.872 9.187 1.00 11.69 O ATOM 54 CB VAL A 5 4.118 16.553 11.020 1.00 15.64 C ATOM 55 CG1 VAL A 5 4.601 16.840 12.436 1.00 17.58 C ATOM 56 CG2 VAL A 5 5.003 15.426 10.466 1.00 15.62 C ATOM 0 H VAL A 5 3.284 14.227 11.065 1.00 15.38 H new ATOM 0 HA VAL A 5 2.170 16.748 11.900 1.00 14.78 H new ATOM 0 HB VAL A 5 4.206 17.411 10.353 1.00 15.64 H new ATOM 0 HG11 VAL A 5 5.661 17.091 12.415 1.00 17.58 H new ATOM 0 HG12 VAL A 5 4.038 17.677 12.850 1.00 17.58 H new ATOM 0 HG13 VAL A 5 4.449 15.958 13.058 1.00 17.58 H new ATOM 0 HG21 VAL A 5 6.044 15.749 10.462 1.00 15.62 H new ATOM 0 HG22 VAL A 5 4.900 14.541 11.094 1.00 15.62 H new ATOM 0 HG23 VAL A 5 4.694 15.187 9.449 1.00 15.62 H new ATOM 66 N GLU A 6 2.063 17.900 9.397 1.00 12.00 N ATOM 67 CA GLU A 6 1.422 18.437 8.218 1.00 10.06 C ATOM 68 C GLU A 6 2.312 18.330 6.987 1.00 8.91 C ATOM 69 O GLU A 6 3.348 18.972 6.846 1.00 9.33 O ATOM 70 CB GLU A 6 0.918 19.855 8.505 1.00 10.46 C ATOM 71 CG GLU A 6 1.998 20.869 8.926 1.00 11.78 C ATOM 72 CD GLU A 6 1.775 22.250 8.299 1.00 11.85 C ATOM 73 OE1 GLU A 6 1.536 22.301 7.071 1.00 11.12 O ATOM 74 OE2 GLU A 6 1.847 23.240 9.062 1.00 12.97 O ATOM 0 H GLU A 6 2.664 18.566 9.883 1.00 12.00 H new ATOM 0 HA GLU A 6 0.548 17.832 7.975 1.00 10.06 H new ATOM 0 HB2 GLU A 6 0.418 20.232 7.613 1.00 10.46 H new ATOM 0 HB3 GLU A 6 0.167 19.802 9.293 1.00 10.46 H new ATOM 0 HG2 GLU A 6 2.002 20.962 10.012 1.00 11.78 H new ATOM 0 HG3 GLU A 6 2.979 20.494 8.634 1.00 11.78 H new ATOM 81 N LEU A 7 1.871 17.468 6.079 1.00 7.69 N ATOM 82 CA LEU A 7 2.399 17.291 4.750 1.00 6.73 C ATOM 83 C LEU A 7 1.224 16.891 3.871 1.00 5.02 C ATOM 84 O LEU A 7 1.168 15.804 3.310 1.00 5.17 O ATOM 85 CB LEU A 7 3.536 16.266 4.731 1.00 8.11 C ATOM 86 CG LEU A 7 3.514 15.132 5.773 1.00 9.90 C ATOM 87 CD1 LEU A 7 4.186 15.537 7.082 1.00 11.16 C ATOM 88 CD2 LEU A 7 2.187 14.429 6.085 1.00 10.05 C ATOM 0 H LEU A 7 1.089 16.842 6.271 1.00 7.69 H new ATOM 0 HA LEU A 7 2.849 18.210 4.373 1.00 6.73 H new ATOM 0 HB2 LEU A 7 3.555 15.808 3.742 1.00 8.11 H new ATOM 0 HB3 LEU A 7 4.474 16.808 4.849 1.00 8.11 H new ATOM 0 HG LEU A 7 4.086 14.375 5.237 1.00 9.90 H new ATOM 0 HD11 LEU A 7 4.145 14.705 7.785 1.00 11.16 H new ATOM 0 HD12 LEU A 7 5.226 15.800 6.891 1.00 11.16 H new ATOM 0 HD13 LEU A 7 3.667 16.396 7.507 1.00 11.16 H new ATOM 0 HD21 LEU A 7 2.352 13.659 6.838 1.00 10.05 H new ATOM 0 HD22 LEU A 7 1.469 15.158 6.462 1.00 10.05 H new ATOM 0 HD23 LEU A 7 1.796 13.970 5.177 1.00 10.05 H new ATOM 100 N ARG A 8 0.254 17.801 3.780 1.00 4.08 N ATOM 101 CA ARG A 8 -0.950 17.611 2.980 1.00 2.90 C ATOM 102 C ARG A 8 -1.710 16.359 3.415 1.00 2.51 C ATOM 103 O ARG A 8 -2.173 15.605 2.566 1.00 2.13 O ATOM 104 CB ARG A 8 -0.607 17.552 1.479 1.00 2.66 C ATOM 105 CG ARG A 8 0.447 18.585 1.063 1.00 3.07 C ATOM 106 CD ARG A 8 0.345 18.943 -0.426 1.00 3.43 C ATOM 107 NE ARG A 8 -0.116 20.331 -0.594 1.00 4.19 N ATOM 108 CZ ARG A 8 -1.376 20.768 -0.467 1.00 5.43 C ATOM 109 NH1 ARG A 8 -2.394 19.907 -0.419 1.00 6.17 N ATOM 110 NH2 ARG A 8 -1.614 22.077 -0.377 1.00 6.73 N ATOM 0 H ARG A 8 0.285 18.698 4.265 1.00 4.08 H new ATOM 0 HA ARG A 8 -1.600 18.470 3.146 1.00 2.90 H new ATOM 0 HB2 ARG A 8 -0.245 16.553 1.234 1.00 2.66 H new ATOM 0 HB3 ARG A 8 -1.515 17.714 0.898 1.00 2.66 H new ATOM 0 HG2 ARG A 8 0.326 19.488 1.662 1.00 3.07 H new ATOM 0 HG3 ARG A 8 1.442 18.193 1.274 1.00 3.07 H new ATOM 0 HD2 ARG A 8 1.317 18.816 -0.904 1.00 3.43 H new ATOM 0 HD3 ARG A 8 -0.346 18.262 -0.923 1.00 3.43 H new ATOM 0 HE ARG A 8 0.592 21.027 -0.830 1.00 4.19 H new ATOM 0 HH11 ARG A 8 -2.217 18.904 -0.479 1.00 6.17 H new ATOM 0 HH12 ARG A 8 -3.349 20.251 -0.322 1.00 6.17 H new ATOM 0 HH21 ARG A 8 -0.839 22.739 -0.405 1.00 6.73 H new ATOM 0 HH22 ARG A 8 -2.571 22.416 -0.280 1.00 6.73 H new ATOM 124 N ASN A 9 -1.903 16.180 4.727 1.00 2.67 N ATOM 125 CA ASN A 9 -2.625 15.031 5.284 1.00 2.51 C ATOM 126 C ASN A 9 -3.973 14.836 4.622 1.00 2.01 C ATOM 127 O ASN A 9 -4.439 13.720 4.483 1.00 1.86 O ATOM 128 CB ASN A 9 -2.855 15.196 6.794 1.00 2.93 C ATOM 129 CG ASN A 9 -2.178 14.077 7.583 1.00 3.78 C ATOM 130 OD1 ASN A 9 -2.578 12.927 7.471 1.00 5.20 O ATOM 131 ND2 ASN A 9 -1.165 14.353 8.392 1.00 3.42 N ATOM 0 H ASN A 9 -1.561 16.831 5.434 1.00 2.67 H new ATOM 0 HA ASN A 9 -1.999 14.159 5.094 1.00 2.51 H new ATOM 0 HB2 ASN A 9 -2.466 16.161 7.120 1.00 2.93 H new ATOM 0 HB3 ASN A 9 -3.925 15.196 7.003 1.00 2.93 H new ATOM 0 HD21 ASN A 9 -0.718 13.605 8.922 1.00 3.42 H new ATOM 0 HD22 ASN A 9 -0.833 15.313 8.484 1.00 3.42 H new ATOM 138 N ASP A 10 -4.614 15.931 4.247 1.00 1.81 N ATOM 139 CA ASP A 10 -5.852 15.929 3.497 1.00 1.31 C ATOM 140 C ASP A 10 -5.699 15.226 2.146 1.00 1.00 C ATOM 141 O ASP A 10 -6.417 14.276 1.843 1.00 0.82 O ATOM 142 CB ASP A 10 -6.250 17.397 3.360 1.00 1.30 C ATOM 143 CG ASP A 10 -7.215 17.625 2.201 1.00 1.30 C ATOM 144 OD1 ASP A 10 -8.417 17.341 2.389 1.00 2.33 O ATOM 145 OD2 ASP A 10 -6.710 18.064 1.143 1.00 2.54 O ATOM 0 H ASP A 10 -4.276 16.869 4.463 1.00 1.81 H new ATOM 0 HA ASP A 10 -6.632 15.364 4.007 1.00 1.31 H new ATOM 0 HB2 ASP A 10 -6.712 17.735 4.288 1.00 1.30 H new ATOM 0 HB3 ASP A 10 -5.356 18.002 3.211 1.00 1.30 H new ATOM 150 N SER A 11 -4.750 15.677 1.330 1.00 1.15 N ATOM 151 CA SER A 11 -4.641 15.231 -0.050 1.00 1.03 C ATOM 152 C SER A 11 -4.131 13.793 -0.091 1.00 0.76 C ATOM 153 O SER A 11 -4.664 12.955 -0.815 1.00 0.59 O ATOM 154 CB SER A 11 -3.699 16.174 -0.803 1.00 1.47 C ATOM 155 OG SER A 11 -3.766 15.990 -2.202 1.00 1.70 O ATOM 0 H SER A 11 -4.041 16.357 1.607 1.00 1.15 H new ATOM 0 HA SER A 11 -5.619 15.253 -0.531 1.00 1.03 H new ATOM 0 HB2 SER A 11 -3.952 17.206 -0.562 1.00 1.47 H new ATOM 0 HB3 SER A 11 -2.676 16.009 -0.465 1.00 1.47 H new ATOM 0 HG SER A 11 -3.151 16.612 -2.644 1.00 1.70 H new ATOM 161 N GLU A 12 -3.062 13.524 0.660 1.00 0.99 N ATOM 162 CA GLU A 12 -2.468 12.198 0.769 1.00 0.99 C ATOM 163 C GLU A 12 -3.457 11.318 1.535 1.00 0.92 C ATOM 164 O GLU A 12 -3.556 10.129 1.276 1.00 1.00 O ATOM 165 CB GLU A 12 -1.075 12.298 1.439 1.00 1.45 C ATOM 166 CG GLU A 12 -0.913 11.805 2.895 1.00 3.14 C ATOM 167 CD GLU A 12 -0.557 10.312 3.016 1.00 4.41 C ATOM 168 OE1 GLU A 12 0.549 9.929 2.569 1.00 4.80 O ATOM 169 OE2 GLU A 12 -1.361 9.538 3.580 1.00 5.72 O ATOM 0 H GLU A 12 -2.581 14.232 1.215 1.00 0.99 H new ATOM 0 HA GLU A 12 -2.292 11.744 -0.206 1.00 0.99 H new ATOM 0 HB2 GLU A 12 -0.371 11.741 0.821 1.00 1.45 H new ATOM 0 HB3 GLU A 12 -0.768 13.343 1.408 1.00 1.45 H new ATOM 0 HG2 GLU A 12 -0.136 12.394 3.382 1.00 3.14 H new ATOM 0 HG3 GLU A 12 -1.841 11.992 3.436 1.00 3.14 H new ATOM 176 N GLY A 13 -4.228 11.903 2.450 1.00 1.01 N ATOM 177 CA GLY A 13 -5.224 11.204 3.237 1.00 1.15 C ATOM 178 C GLY A 13 -6.275 10.593 2.338 1.00 0.98 C ATOM 179 O GLY A 13 -6.541 9.408 2.458 1.00 1.03 O ATOM 0 H GLY A 13 -4.171 12.899 2.664 1.00 1.01 H new ATOM 0 HA2 GLY A 13 -4.746 10.424 3.830 1.00 1.15 H new ATOM 0 HA3 GLY A 13 -5.693 11.895 3.938 1.00 1.15 H new ATOM 183 N PHE A 14 -6.854 11.365 1.418 1.00 0.85 N ATOM 184 CA PHE A 14 -7.911 10.877 0.541 1.00 0.90 C ATOM 185 C PHE A 14 -7.489 9.588 -0.153 1.00 0.75 C ATOM 186 O PHE A 14 -8.143 8.552 -0.044 1.00 0.90 O ATOM 187 CB PHE A 14 -8.285 11.957 -0.491 1.00 0.91 C ATOM 188 CG PHE A 14 -9.636 12.589 -0.245 1.00 0.98 C ATOM 189 CD1 PHE A 14 -9.832 13.413 0.876 1.00 2.27 C ATOM 190 CD2 PHE A 14 -10.702 12.347 -1.134 1.00 2.04 C ATOM 191 CE1 PHE A 14 -11.094 13.987 1.115 1.00 3.07 C ATOM 192 CE2 PHE A 14 -11.962 12.925 -0.897 1.00 2.41 C ATOM 193 CZ PHE A 14 -12.158 13.742 0.229 1.00 2.63 C ATOM 0 H PHE A 14 -6.603 12.341 1.262 1.00 0.85 H new ATOM 0 HA PHE A 14 -8.790 10.657 1.147 1.00 0.90 H new ATOM 0 HB2 PHE A 14 -7.522 12.736 -0.482 1.00 0.91 H new ATOM 0 HB3 PHE A 14 -8.277 11.514 -1.487 1.00 0.91 H new ATOM 0 HD1 PHE A 14 -9.014 13.606 1.554 1.00 2.27 H new ATOM 0 HD2 PHE A 14 -10.551 11.717 -1.998 1.00 2.04 H new ATOM 0 HE1 PHE A 14 -11.246 14.616 1.980 1.00 3.07 H new ATOM 0 HE2 PHE A 14 -12.778 12.741 -1.580 1.00 2.41 H new ATOM 0 HZ PHE A 14 -13.127 14.182 0.414 1.00 2.63 H new ATOM 203 N ILE A 15 -6.382 9.648 -0.886 1.00 0.51 N ATOM 204 CA ILE A 15 -5.931 8.494 -1.646 1.00 0.49 C ATOM 205 C ILE A 15 -5.487 7.353 -0.718 1.00 0.46 C ATOM 206 O ILE A 15 -5.654 6.185 -1.054 1.00 0.50 O ATOM 207 CB ILE A 15 -4.848 8.907 -2.644 1.00 0.41 C ATOM 208 CG1 ILE A 15 -3.578 9.314 -1.889 1.00 0.28 C ATOM 209 CG2 ILE A 15 -5.387 10.005 -3.572 1.00 0.49 C ATOM 210 CD1 ILE A 15 -2.824 10.516 -2.432 1.00 0.50 C ATOM 0 H ILE A 15 -5.789 10.474 -0.968 1.00 0.51 H new ATOM 0 HA ILE A 15 -6.768 8.102 -2.224 1.00 0.49 H new ATOM 0 HB ILE A 15 -4.576 8.067 -3.283 1.00 0.41 H new ATOM 0 HG12 ILE A 15 -3.848 9.520 -0.853 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -2.899 8.461 -1.878 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -4.612 10.295 -4.281 1.00 0.49 H new ATOM 0 HG22 ILE A 15 -6.253 9.629 -4.116 1.00 0.49 H new ATOM 0 HG23 ILE A 15 -5.679 10.872 -2.979 1.00 0.49 H new ATOM 0 HD11 ILE A 15 -1.946 10.704 -1.814 1.00 0.50 H new ATOM 0 HD12 ILE A 15 -2.510 10.316 -3.457 1.00 0.50 H new ATOM 0 HD13 ILE A 15 -3.474 11.391 -2.415 1.00 0.50 H new ATOM 222 N HIS A 16 -4.916 7.672 0.447 1.00 0.44 N ATOM 223 CA HIS A 16 -4.432 6.688 1.395 1.00 0.43 C ATOM 224 C HIS A 16 -5.634 5.864 1.860 1.00 0.55 C ATOM 225 O HIS A 16 -5.632 4.636 1.812 1.00 0.51 O ATOM 226 CB HIS A 16 -3.726 7.444 2.539 1.00 0.54 C ATOM 227 CG HIS A 16 -3.013 6.624 3.580 1.00 0.44 C ATOM 228 ND1 HIS A 16 -1.729 6.861 4.032 1.00 0.65 N ATOM 229 CD2 HIS A 16 -3.516 5.557 4.262 1.00 0.87 C ATOM 230 CE1 HIS A 16 -1.433 5.903 4.932 1.00 0.61 C ATOM 231 NE2 HIS A 16 -2.502 5.095 5.083 1.00 0.96 N ATOM 0 H HIS A 16 -4.779 8.635 0.754 1.00 0.44 H new ATOM 0 HA HIS A 16 -3.706 5.997 0.966 1.00 0.43 H new ATOM 0 HB2 HIS A 16 -3.001 8.126 2.094 1.00 0.54 H new ATOM 0 HB3 HIS A 16 -4.471 8.057 3.046 1.00 0.54 H new ATOM 0 HD1 HIS A 16 -1.117 7.622 3.738 1.00 0.65 H new ATOM 0 HD2 HIS A 16 -4.513 5.150 4.178 1.00 0.87 H new ATOM 0 HE1 HIS A 16 -0.491 5.799 5.449 1.00 0.61 H new ATOM 240 N GLU A 17 -6.678 6.541 2.329 1.00 0.73 N ATOM 241 CA GLU A 17 -7.906 5.927 2.795 1.00 0.87 C ATOM 242 C GLU A 17 -8.565 5.138 1.678 1.00 0.89 C ATOM 243 O GLU A 17 -9.111 4.083 1.963 1.00 0.97 O ATOM 244 CB GLU A 17 -8.864 6.964 3.388 1.00 1.00 C ATOM 245 CG GLU A 17 -8.316 7.483 4.723 1.00 1.05 C ATOM 246 CD GLU A 17 -9.433 8.022 5.615 1.00 1.78 C ATOM 247 OE1 GLU A 17 -9.807 9.200 5.430 1.00 2.31 O ATOM 248 OE2 GLU A 17 -9.881 7.238 6.482 1.00 2.83 O ATOM 0 H GLU A 17 -6.688 7.559 2.395 1.00 0.73 H new ATOM 0 HA GLU A 17 -7.652 5.233 3.596 1.00 0.87 H new ATOM 0 HB2 GLU A 17 -8.992 7.793 2.692 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -9.847 6.519 3.538 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -7.792 6.679 5.240 1.00 1.05 H new ATOM 0 HG3 GLU A 17 -7.586 8.271 4.536 1.00 1.05 H new ATOM 255 N PHE A 18 -8.474 5.583 0.422 1.00 0.86 N ATOM 256 CA PHE A 18 -8.917 4.800 -0.731 1.00 0.97 C ATOM 257 C PHE A 18 -8.293 3.417 -0.706 1.00 0.86 C ATOM 258 O PHE A 18 -9.022 2.428 -0.726 1.00 0.92 O ATOM 259 CB PHE A 18 -8.574 5.539 -2.036 1.00 1.02 C ATOM 260 CG PHE A 18 -9.719 5.748 -3.001 1.00 1.15 C ATOM 261 CD1 PHE A 18 -10.609 4.699 -3.298 1.00 1.95 C ATOM 262 CD2 PHE A 18 -9.878 7.000 -3.626 1.00 2.16 C ATOM 263 CE1 PHE A 18 -11.665 4.911 -4.202 1.00 2.11 C ATOM 264 CE2 PHE A 18 -10.929 7.207 -4.536 1.00 2.41 C ATOM 265 CZ PHE A 18 -11.826 6.164 -4.820 1.00 1.77 C ATOM 0 H PHE A 18 -8.091 6.496 0.177 1.00 0.86 H new ATOM 0 HA PHE A 18 -9.999 4.679 -0.681 1.00 0.97 H new ATOM 0 HB2 PHE A 18 -8.159 6.514 -1.780 1.00 1.02 H new ATOM 0 HB3 PHE A 18 -7.789 4.983 -2.549 1.00 1.02 H new ATOM 0 HD1 PHE A 18 -10.481 3.733 -2.832 1.00 1.95 H new ATOM 0 HD2 PHE A 18 -9.191 7.803 -3.405 1.00 2.16 H new ATOM 0 HE1 PHE A 18 -12.354 4.109 -4.422 1.00 2.11 H new ATOM 0 HE2 PHE A 18 -11.047 8.167 -5.016 1.00 2.41 H new ATOM 0 HZ PHE A 18 -12.639 6.324 -5.513 1.00 1.77 H new ATOM 275 N GLY A 19 -6.963 3.336 -0.614 1.00 0.73 N ATOM 276 CA GLY A 19 -6.288 2.062 -0.421 1.00 0.65 C ATOM 277 C GLY A 19 -6.958 1.274 0.695 1.00 0.60 C ATOM 278 O GLY A 19 -7.321 0.112 0.527 1.00 0.60 O ATOM 0 H GLY A 19 -6.338 4.140 -0.671 1.00 0.73 H new ATOM 0 HA2 GLY A 19 -6.311 1.487 -1.346 1.00 0.65 H new ATOM 0 HA3 GLY A 19 -5.239 2.231 -0.177 1.00 0.65 H new ATOM 282 N HIS A 20 -7.162 1.916 1.843 1.00 0.58 N ATOM 283 CA HIS A 20 -7.747 1.226 2.979 1.00 0.59 C ATOM 284 C HIS A 20 -9.165 0.724 2.698 1.00 0.66 C ATOM 285 O HIS A 20 -9.532 -0.345 3.169 1.00 0.53 O ATOM 286 CB HIS A 20 -7.697 2.107 4.238 1.00 0.63 C ATOM 287 CG HIS A 20 -7.435 1.320 5.499 1.00 0.75 C ATOM 288 ND1 HIS A 20 -6.938 1.825 6.687 1.00 0.72 N ATOM 289 CD2 HIS A 20 -7.563 -0.031 5.641 1.00 1.98 C ATOM 290 CE1 HIS A 20 -6.744 0.781 7.517 1.00 0.95 C ATOM 291 NE2 HIS A 20 -7.121 -0.358 6.900 1.00 2.02 N ATOM 0 H HIS A 20 -6.934 2.897 2.006 1.00 0.58 H new ATOM 0 HA HIS A 20 -7.141 0.338 3.160 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -6.918 2.859 4.117 1.00 0.63 H new ATOM 0 HB3 HIS A 20 -8.642 2.640 4.339 1.00 0.63 H new ATOM 0 HD1 HIS A 20 -6.753 2.806 6.896 1.00 0.72 H new ATOM 0 HD2 HIS A 20 -7.943 -0.718 4.899 1.00 1.98 H new ATOM 0 HE1 HIS A 20 -6.348 0.846 8.520 1.00 0.95 H new ATOM 300 N ALA A 21 -9.971 1.458 1.938 1.00 0.94 N ATOM 301 CA ALA A 21 -11.315 1.038 1.594 1.00 1.10 C ATOM 302 C ALA A 21 -11.242 -0.208 0.716 1.00 1.11 C ATOM 303 O ALA A 21 -12.104 -1.078 0.794 1.00 1.19 O ATOM 304 CB ALA A 21 -12.055 2.183 0.900 1.00 1.34 C ATOM 0 H ALA A 21 -9.706 2.361 1.545 1.00 0.94 H new ATOM 0 HA ALA A 21 -11.874 0.786 2.495 1.00 1.10 H new ATOM 0 HB1 ALA A 21 -13.064 1.861 0.644 1.00 1.34 H new ATOM 0 HB2 ALA A 21 -12.107 3.042 1.570 1.00 1.34 H new ATOM 0 HB3 ALA A 21 -11.522 2.463 -0.009 1.00 1.34 H new ATOM 310 N VAL A 22 -10.200 -0.339 -0.108 1.00 1.08 N ATOM 311 CA VAL A 22 -10.060 -1.593 -0.850 1.00 1.18 C ATOM 312 C VAL A 22 -9.781 -2.769 0.088 1.00 1.00 C ATOM 313 O VAL A 22 -10.343 -3.849 -0.090 1.00 1.11 O ATOM 314 CB VAL A 22 -9.030 -1.478 -1.990 1.00 1.34 C ATOM 315 CG1 VAL A 22 -9.071 -2.716 -2.894 1.00 1.35 C ATOM 316 CG2 VAL A 22 -9.316 -0.257 -2.872 1.00 1.49 C ATOM 0 H VAL A 22 -9.479 0.363 -0.274 1.00 1.08 H new ATOM 0 HA VAL A 22 -11.016 -1.799 -1.331 1.00 1.18 H new ATOM 0 HB VAL A 22 -8.052 -1.383 -1.519 1.00 1.34 H new ATOM 0 HG11 VAL A 22 -8.335 -2.609 -3.690 1.00 1.35 H new ATOM 0 HG12 VAL A 22 -8.843 -3.604 -2.305 1.00 1.35 H new ATOM 0 HG13 VAL A 22 -10.065 -2.815 -3.330 1.00 1.35 H new ATOM 0 HG21 VAL A 22 -8.573 -0.201 -3.668 1.00 1.49 H new ATOM 0 HG22 VAL A 22 -10.310 -0.349 -3.309 1.00 1.49 H new ATOM 0 HG23 VAL A 22 -9.268 0.648 -2.267 1.00 1.49 H new ATOM 326 N ASP A 23 -8.971 -2.548 1.125 1.00 0.76 N ATOM 327 CA ASP A 23 -8.726 -3.542 2.172 1.00 0.64 C ATOM 328 C ASP A 23 -10.037 -3.967 2.828 1.00 0.57 C ATOM 329 O ASP A 23 -10.197 -5.098 3.288 1.00 0.57 O ATOM 330 CB ASP A 23 -7.823 -2.921 3.246 1.00 0.53 C ATOM 331 CG ASP A 23 -7.023 -3.909 4.091 1.00 1.07 C ATOM 332 OD1 ASP A 23 -6.427 -4.829 3.497 1.00 1.41 O ATOM 333 OD2 ASP A 23 -6.971 -3.674 5.323 1.00 2.54 O ATOM 0 H ASP A 23 -8.465 -1.673 1.263 1.00 0.76 H new ATOM 0 HA ASP A 23 -8.252 -4.414 1.723 1.00 0.64 H new ATOM 0 HB2 ASP A 23 -7.125 -2.240 2.758 1.00 0.53 H new ATOM 0 HB3 ASP A 23 -8.442 -2.320 3.912 1.00 0.53 H new ATOM 338 N ASP A 24 -10.965 -3.013 2.894 1.00 0.61 N ATOM 339 CA ASP A 24 -12.218 -3.147 3.607 1.00 0.65 C ATOM 340 C ASP A 24 -13.089 -4.125 2.841 1.00 0.74 C ATOM 341 O ASP A 24 -13.560 -5.116 3.387 1.00 0.69 O ATOM 342 CB ASP A 24 -12.886 -1.773 3.767 1.00 0.87 C ATOM 343 CG ASP A 24 -14.013 -1.765 4.795 1.00 1.09 C ATOM 344 OD1 ASP A 24 -13.980 -2.621 5.701 1.00 1.77 O ATOM 345 OD2 ASP A 24 -14.871 -0.864 4.674 1.00 2.13 O ATOM 0 H ASP A 24 -10.856 -2.106 2.439 1.00 0.61 H new ATOM 0 HA ASP A 24 -12.056 -3.533 4.614 1.00 0.65 H new ATOM 0 HB2 ASP A 24 -12.132 -1.042 4.059 1.00 0.87 H new ATOM 0 HB3 ASP A 24 -13.281 -1.455 2.802 1.00 0.87 H new ATOM 350 N TYR A 25 -13.229 -3.900 1.533 1.00 0.94 N ATOM 351 CA TYR A 25 -14.006 -4.783 0.675 1.00 1.11 C ATOM 352 C TYR A 25 -13.479 -6.206 0.756 1.00 1.03 C ATOM 353 O TYR A 25 -14.242 -7.149 0.959 1.00 1.03 O ATOM 354 CB TYR A 25 -13.978 -4.285 -0.770 1.00 1.44 C ATOM 355 CG TYR A 25 -14.901 -5.113 -1.631 1.00 2.05 C ATOM 356 CD1 TYR A 25 -16.279 -4.839 -1.614 1.00 1.75 C ATOM 357 CD2 TYR A 25 -14.407 -6.217 -2.353 1.00 3.49 C ATOM 358 CE1 TYR A 25 -17.168 -5.655 -2.331 1.00 2.18 C ATOM 359 CE2 TYR A 25 -15.290 -7.029 -3.087 1.00 4.19 C ATOM 360 CZ TYR A 25 -16.677 -6.745 -3.083 1.00 3.35 C ATOM 361 OH TYR A 25 -17.551 -7.536 -3.768 1.00 3.99 O ATOM 0 H TYR A 25 -12.810 -3.107 1.047 1.00 0.94 H new ATOM 0 HA TYR A 25 -15.039 -4.778 1.023 1.00 1.11 H new ATOM 0 HB2 TYR A 25 -14.279 -3.238 -0.806 1.00 1.44 H new ATOM 0 HB3 TYR A 25 -12.962 -4.338 -1.160 1.00 1.44 H new ATOM 0 HD1 TYR A 25 -16.655 -3.999 -1.048 1.00 1.75 H new ATOM 0 HD2 TYR A 25 -13.350 -6.440 -2.343 1.00 3.49 H new ATOM 0 HE1 TYR A 25 -18.228 -5.449 -2.308 1.00 2.18 H new ATOM 0 HE2 TYR A 25 -14.911 -7.867 -3.652 1.00 4.19 H new ATOM 0 HH TYR A 25 -17.057 -8.241 -4.236 1.00 3.99 H new ATOM 371 N ALA A 26 -12.169 -6.373 0.577 1.00 1.06 N ATOM 372 CA ALA A 26 -11.584 -7.699 0.595 1.00 1.13 C ATOM 373 C ALA A 26 -11.930 -8.430 1.894 1.00 0.97 C ATOM 374 O ALA A 26 -12.220 -9.620 1.852 1.00 1.06 O ATOM 375 CB ALA A 26 -10.079 -7.592 0.364 1.00 1.29 C ATOM 0 H ALA A 26 -11.506 -5.614 0.420 1.00 1.06 H new ATOM 0 HA ALA A 26 -12.004 -8.297 -0.213 1.00 1.13 H new ATOM 0 HB1 ALA A 26 -9.637 -8.588 0.377 1.00 1.29 H new ATOM 0 HB2 ALA A 26 -9.892 -7.125 -0.603 1.00 1.29 H new ATOM 0 HB3 ALA A 26 -9.632 -6.986 1.152 1.00 1.29 H new ATOM 381 N GLY A 27 -11.932 -7.743 3.038 1.00 0.83 N ATOM 382 CA GLY A 27 -12.261 -8.379 4.305 1.00 0.84 C ATOM 383 C GLY A 27 -13.729 -8.763 4.354 1.00 0.83 C ATOM 384 O GLY A 27 -14.056 -9.909 4.640 1.00 1.14 O ATOM 0 H GLY A 27 -11.710 -6.750 3.108 1.00 0.83 H new ATOM 0 HA2 GLY A 27 -11.644 -9.267 4.442 1.00 0.84 H new ATOM 0 HA3 GLY A 27 -12.031 -7.701 5.127 1.00 0.84 H new ATOM 388 N TYR A 28 -14.608 -7.813 4.039 1.00 0.72 N ATOM 389 CA TYR A 28 -16.053 -7.977 4.055 1.00 0.84 C ATOM 390 C TYR A 28 -16.459 -9.267 3.344 1.00 0.91 C ATOM 391 O TYR A 28 -17.290 -10.030 3.831 1.00 1.07 O ATOM 392 CB TYR A 28 -16.714 -6.739 3.424 1.00 1.05 C ATOM 393 CG TYR A 28 -17.877 -6.217 4.236 1.00 1.36 C ATOM 394 CD1 TYR A 28 -19.157 -6.780 4.081 1.00 1.64 C ATOM 395 CD2 TYR A 28 -17.666 -5.190 5.175 1.00 1.61 C ATOM 396 CE1 TYR A 28 -20.235 -6.306 4.848 1.00 2.06 C ATOM 397 CE2 TYR A 28 -18.739 -4.712 5.947 1.00 2.05 C ATOM 398 CZ TYR A 28 -20.028 -5.264 5.785 1.00 2.25 C ATOM 399 OH TYR A 28 -21.064 -4.793 6.535 1.00 2.74 O ATOM 0 H TYR A 28 -14.319 -6.877 3.756 1.00 0.72 H new ATOM 0 HA TYR A 28 -16.400 -8.062 5.085 1.00 0.84 H new ATOM 0 HB2 TYR A 28 -15.969 -5.950 3.316 1.00 1.05 H new ATOM 0 HB3 TYR A 28 -17.060 -6.989 2.421 1.00 1.05 H new ATOM 0 HD1 TYR A 28 -19.312 -7.579 3.371 1.00 1.64 H new ATOM 0 HD2 TYR A 28 -16.680 -4.769 5.302 1.00 1.61 H new ATOM 0 HE1 TYR A 28 -21.218 -6.735 4.723 1.00 2.06 H new ATOM 0 HE2 TYR A 28 -18.577 -3.922 6.665 1.00 2.05 H new ATOM 0 HH TYR A 28 -20.743 -4.080 7.126 1.00 2.74 H new ATOM 409 N LEU A 29 -15.881 -9.495 2.166 1.00 0.97 N ATOM 410 CA LEU A 29 -16.109 -10.669 1.351 1.00 1.22 C ATOM 411 C LEU A 29 -15.398 -11.898 1.888 1.00 1.43 C ATOM 412 O LEU A 29 -15.931 -13.000 1.787 1.00 1.69 O ATOM 413 CB LEU A 29 -15.625 -10.361 -0.062 1.00 1.47 C ATOM 414 CG LEU A 29 -16.621 -9.487 -0.848 1.00 1.59 C ATOM 415 CD1 LEU A 29 -17.844 -10.333 -1.180 1.00 1.74 C ATOM 416 CD2 LEU A 29 -17.182 -8.241 -0.155 1.00 1.43 C ATOM 0 H LEU A 29 -15.221 -8.841 1.746 1.00 0.97 H new ATOM 0 HA LEU A 29 -17.174 -10.899 1.362 1.00 1.22 H new ATOM 0 HB2 LEU A 29 -14.662 -9.853 -0.010 1.00 1.47 H new ATOM 0 HB3 LEU A 29 -15.464 -11.296 -0.599 1.00 1.47 H new ATOM 0 HG LEU A 29 -16.028 -9.136 -1.693 1.00 1.59 H new ATOM 0 HD11 LEU A 29 -18.562 -9.731 -1.737 1.00 1.74 H new ATOM 0 HD12 LEU A 29 -17.542 -11.189 -1.784 1.00 1.74 H new ATOM 0 HD13 LEU A 29 -18.304 -10.685 -0.257 1.00 1.74 H new ATOM 0 HD21 LEU A 29 -17.868 -7.727 -0.829 1.00 1.43 H new ATOM 0 HD22 LEU A 29 -17.715 -8.536 0.749 1.00 1.43 H new ATOM 0 HD23 LEU A 29 -16.363 -7.572 0.109 1.00 1.43 H new ATOM 428 N LEU A 30 -14.181 -11.739 2.395 1.00 1.45 N ATOM 429 CA LEU A 30 -13.354 -12.862 2.785 1.00 1.86 C ATOM 430 C LEU A 30 -13.274 -12.842 4.304 1.00 2.02 C ATOM 431 O LEU A 30 -12.189 -12.721 4.872 1.00 2.39 O ATOM 432 CB LEU A 30 -11.977 -12.759 2.113 1.00 2.13 C ATOM 433 CG LEU A 30 -12.096 -12.753 0.579 1.00 2.26 C ATOM 434 CD1 LEU A 30 -10.884 -12.074 -0.049 1.00 2.45 C ATOM 435 CD2 LEU A 30 -12.226 -14.180 0.043 1.00 2.66 C ATOM 0 H LEU A 30 -13.746 -10.829 2.545 1.00 1.45 H new ATOM 0 HA LEU A 30 -13.775 -13.814 2.461 1.00 1.86 H new ATOM 0 HB2 LEU A 30 -11.477 -11.849 2.444 1.00 2.13 H new ATOM 0 HB3 LEU A 30 -11.354 -13.597 2.427 1.00 2.13 H new ATOM 0 HG LEU A 30 -12.993 -12.194 0.312 1.00 2.26 H new ATOM 0 HD11 LEU A 30 -10.986 -12.079 -1.134 1.00 2.45 H new ATOM 0 HD12 LEU A 30 -10.820 -11.045 0.305 1.00 2.45 H new ATOM 0 HD13 LEU A 30 -9.979 -12.612 0.233 1.00 2.45 H new ATOM 0 HD21 LEU A 30 -12.309 -14.154 -1.044 1.00 2.66 H new ATOM 0 HD22 LEU A 30 -11.345 -14.757 0.326 1.00 2.66 H new ATOM 0 HD23 LEU A 30 -13.116 -14.647 0.464 1.00 2.66 H new ATOM 447 N ASP A 31 -14.443 -12.900 4.948 1.00 2.74 N ATOM 448 CA ASP A 31 -14.547 -12.576 6.364 1.00 3.29 C ATOM 449 C ASP A 31 -13.696 -13.519 7.200 1.00 2.63 C ATOM 450 O ASP A 31 -13.474 -14.682 6.848 1.00 2.92 O ATOM 451 CB ASP A 31 -16.003 -12.572 6.863 1.00 4.91 C ATOM 452 CG ASP A 31 -16.426 -13.893 7.523 1.00 6.08 C ATOM 453 OD1 ASP A 31 -16.065 -14.084 8.714 1.00 6.74 O ATOM 454 OD2 ASP A 31 -17.109 -14.686 6.839 1.00 6.82 O ATOM 0 H ASP A 31 -15.324 -13.168 4.509 1.00 2.74 H new ATOM 0 HA ASP A 31 -14.167 -11.561 6.483 1.00 3.29 H new ATOM 0 HB2 ASP A 31 -16.132 -11.760 7.578 1.00 4.91 H new ATOM 0 HB3 ASP A 31 -16.666 -12.365 6.023 1.00 4.91 H new ATOM 459 N LYS A 32 -13.255 -13.027 8.355 1.00 3.44 N ATOM 460 CA LYS A 32 -12.581 -13.893 9.297 1.00 4.11 C ATOM 461 C LYS A 32 -13.001 -13.525 10.708 1.00 4.35 C ATOM 462 O LYS A 32 -12.229 -12.896 11.425 1.00 5.14 O ATOM 463 CB LYS A 32 -11.062 -13.834 9.047 1.00 5.41 C ATOM 464 CG LYS A 32 -10.407 -15.144 9.485 1.00 6.58 C ATOM 465 CD LYS A 32 -10.622 -16.216 8.407 1.00 6.44 C ATOM 466 CE LYS A 32 -10.729 -17.609 9.034 1.00 7.29 C ATOM 467 NZ LYS A 32 -11.998 -18.271 8.659 1.00 7.37 N ATOM 0 H LYS A 32 -13.352 -12.055 8.650 1.00 3.44 H new ATOM 0 HA LYS A 32 -12.869 -14.935 9.159 1.00 4.11 H new ATOM 0 HB2 LYS A 32 -10.866 -13.656 7.990 1.00 5.41 H new ATOM 0 HB3 LYS A 32 -10.627 -12.999 9.597 1.00 5.41 H new ATOM 0 HG2 LYS A 32 -9.341 -14.991 9.652 1.00 6.58 H new ATOM 0 HG3 LYS A 32 -10.833 -15.476 10.432 1.00 6.58 H new ATOM 0 HD2 LYS A 32 -11.530 -15.995 7.845 1.00 6.44 H new ATOM 0 HD3 LYS A 32 -9.795 -16.195 7.698 1.00 6.44 H new ATOM 0 HE2 LYS A 32 -9.887 -18.221 8.710 1.00 7.29 H new ATOM 0 HE3 LYS A 32 -10.666 -17.528 10.119 1.00 7.29 H new ATOM 0 HZ1 LYS A 32 -12.042 -19.212 9.099 1.00 7.37 H new ATOM 0 HZ2 LYS A 32 -12.800 -17.697 8.990 1.00 7.37 H new ATOM 0 HZ3 LYS A 32 -12.046 -18.369 7.625 1.00 7.37 H new ATOM 481 N ASN A 33 -14.215 -13.934 11.101 1.00 4.46 N ATOM 482 CA ASN A 33 -14.750 -13.853 12.461 1.00 5.09 C ATOM 483 C ASN A 33 -14.304 -12.587 13.195 1.00 4.91 C ATOM 484 O ASN A 33 -13.393 -12.644 14.017 1.00 5.48 O ATOM 485 CB ASN A 33 -14.351 -15.114 13.239 1.00 6.06 C ATOM 486 CG ASN A 33 -14.836 -15.044 14.684 1.00 7.00 C ATOM 487 OD1 ASN A 33 -16.026 -14.896 14.929 1.00 7.61 O ATOM 488 ND2 ASN A 33 -13.940 -15.151 15.658 1.00 7.47 N ATOM 0 H ASN A 33 -14.879 -14.349 10.447 1.00 4.46 H new ATOM 0 HA ASN A 33 -15.836 -13.794 12.393 1.00 5.09 H new ATOM 0 HB2 ASN A 33 -14.773 -15.994 12.753 1.00 6.06 H new ATOM 0 HB3 ASN A 33 -13.267 -15.229 13.221 1.00 6.06 H new ATOM 0 HD21 ASN A 33 -14.239 -15.110 16.632 1.00 7.47 H new ATOM 0 HD22 ASN A 33 -12.953 -15.274 15.432 1.00 7.47 H new ATOM 495 N GLN A 34 -14.933 -11.455 12.861 1.00 4.92 N ATOM 496 CA GLN A 34 -14.715 -10.115 13.416 1.00 5.19 C ATOM 497 C GLN A 34 -13.739 -9.310 12.552 1.00 4.53 C ATOM 498 O GLN A 34 -13.719 -8.085 12.629 1.00 5.11 O ATOM 499 CB GLN A 34 -14.282 -10.139 14.895 1.00 6.18 C ATOM 500 CG GLN A 34 -14.490 -8.777 15.589 1.00 7.29 C ATOM 501 CD GLN A 34 -13.203 -8.073 16.033 1.00 7.78 C ATOM 502 OE1 GLN A 34 -12.095 -8.579 15.911 1.00 7.83 O ATOM 503 NE2 GLN A 34 -13.334 -6.884 16.606 1.00 8.67 N ATOM 0 H GLN A 34 -15.659 -11.451 12.145 1.00 4.92 H new ATOM 0 HA GLN A 34 -15.680 -9.609 13.394 1.00 5.19 H new ATOM 0 HB2 GLN A 34 -14.849 -10.904 15.425 1.00 6.18 H new ATOM 0 HB3 GLN A 34 -13.231 -10.420 14.959 1.00 6.18 H new ATOM 0 HG2 GLN A 34 -15.030 -8.118 14.909 1.00 7.29 H new ATOM 0 HG3 GLN A 34 -15.125 -8.924 16.462 1.00 7.29 H new ATOM 0 HE21 GLN A 34 -14.259 -6.465 16.706 1.00 8.67 H new ATOM 0 HE22 GLN A 34 -12.510 -6.388 16.947 1.00 8.67 H new ATOM 512 N SER A 35 -12.940 -9.970 11.709 1.00 3.77 N ATOM 513 CA SER A 35 -12.084 -9.261 10.769 1.00 3.65 C ATOM 514 C SER A 35 -12.934 -8.628 9.667 1.00 3.68 C ATOM 515 O SER A 35 -13.302 -9.310 8.712 1.00 4.43 O ATOM 516 CB SER A 35 -11.059 -10.215 10.153 1.00 4.40 C ATOM 517 OG SER A 35 -10.293 -10.832 11.169 1.00 5.00 O ATOM 0 H SER A 35 -12.872 -10.987 11.662 1.00 3.77 H new ATOM 0 HA SER A 35 -11.551 -8.477 11.307 1.00 3.65 H new ATOM 0 HB2 SER A 35 -11.569 -10.974 9.560 1.00 4.40 H new ATOM 0 HB3 SER A 35 -10.404 -9.668 9.475 1.00 4.40 H new ATOM 0 HG SER A 35 -10.745 -11.648 11.469 1.00 5.00 H new ATOM 523 N ASP A 36 -13.230 -7.334 9.803 1.00 3.65 N ATOM 524 CA ASP A 36 -13.939 -6.548 8.792 1.00 4.26 C ATOM 525 C ASP A 36 -13.097 -6.393 7.524 1.00 3.63 C ATOM 526 O ASP A 36 -13.633 -6.423 6.421 1.00 4.56 O ATOM 527 CB ASP A 36 -14.284 -5.156 9.343 1.00 5.44 C ATOM 528 CG ASP A 36 -15.475 -5.183 10.298 1.00 6.41 C ATOM 529 OD1 ASP A 36 -16.545 -5.668 9.871 1.00 7.37 O ATOM 530 OD2 ASP A 36 -15.296 -4.715 11.445 1.00 6.75 O ATOM 0 H ASP A 36 -12.980 -6.795 10.632 1.00 3.65 H new ATOM 0 HA ASP A 36 -14.857 -7.081 8.542 1.00 4.26 H new ATOM 0 HB2 ASP A 36 -13.416 -4.749 9.862 1.00 5.44 H new ATOM 0 HB3 ASP A 36 -14.503 -4.484 8.513 1.00 5.44 H new ATOM 535 N LEU A 37 -11.779 -6.210 7.670 1.00 2.61 N ATOM 536 CA LEU A 37 -10.864 -5.933 6.565 1.00 1.96 C ATOM 537 C LEU A 37 -9.950 -7.142 6.373 1.00 1.90 C ATOM 538 O LEU A 37 -9.752 -7.908 7.314 1.00 2.37 O ATOM 539 CB LEU A 37 -10.016 -4.682 6.840 1.00 1.83 C ATOM 540 CG LEU A 37 -10.837 -3.451 7.258 1.00 1.97 C ATOM 541 CD1 LEU A 37 -10.847 -3.295 8.784 1.00 2.17 C ATOM 542 CD2 LEU A 37 -10.210 -2.187 6.669 1.00 2.27 C ATOM 0 H LEU A 37 -11.314 -6.252 8.577 1.00 2.61 H new ATOM 0 HA LEU A 37 -11.448 -5.747 5.663 1.00 1.96 H new ATOM 0 HB2 LEU A 37 -9.295 -4.909 7.625 1.00 1.83 H new ATOM 0 HB3 LEU A 37 -9.445 -4.438 5.944 1.00 1.83 H new ATOM 0 HG LEU A 37 -11.854 -3.590 6.892 1.00 1.97 H new ATOM 0 HD11 LEU A 37 -11.434 -2.418 9.056 1.00 2.17 H new ATOM 0 HD12 LEU A 37 -11.289 -4.182 9.238 1.00 2.17 H new ATOM 0 HD13 LEU A 37 -9.825 -3.174 9.144 1.00 2.17 H new ATOM 0 HD21 LEU A 37 -10.795 -1.317 6.968 1.00 2.27 H new ATOM 0 HD22 LEU A 37 -9.189 -2.082 7.037 1.00 2.27 H new ATOM 0 HD23 LEU A 37 -10.198 -2.260 5.581 1.00 2.27 H new ATOM 554 N VAL A 38 -9.331 -7.298 5.197 1.00 1.56 N ATOM 555 CA VAL A 38 -8.444 -8.434 4.916 1.00 1.81 C ATOM 556 C VAL A 38 -7.061 -8.267 5.565 1.00 2.25 C ATOM 557 O VAL A 38 -6.100 -8.940 5.193 1.00 2.61 O ATOM 558 CB VAL A 38 -8.362 -8.657 3.392 1.00 1.62 C ATOM 559 CG1 VAL A 38 -7.591 -7.549 2.665 1.00 1.80 C ATOM 560 CG2 VAL A 38 -7.769 -10.021 3.016 1.00 2.01 C ATOM 0 H VAL A 38 -9.429 -6.646 4.419 1.00 1.56 H new ATOM 0 HA VAL A 38 -8.868 -9.330 5.370 1.00 1.81 H new ATOM 0 HB VAL A 38 -9.399 -8.630 3.059 1.00 1.62 H new ATOM 0 HG11 VAL A 38 -7.568 -7.763 1.596 1.00 1.80 H new ATOM 0 HG12 VAL A 38 -8.085 -6.592 2.833 1.00 1.80 H new ATOM 0 HG13 VAL A 38 -6.571 -7.504 3.048 1.00 1.80 H new ATOM 0 HG21 VAL A 38 -7.738 -10.118 1.931 1.00 2.01 H new ATOM 0 HG22 VAL A 38 -6.758 -10.101 3.417 1.00 2.01 H new ATOM 0 HG23 VAL A 38 -8.389 -10.815 3.433 1.00 2.01 H new ATOM 570 N THR A 39 -6.940 -7.377 6.549 1.00 2.65 N ATOM 571 CA THR A 39 -5.721 -7.225 7.308 1.00 3.10 C ATOM 572 C THR A 39 -5.462 -8.481 8.137 1.00 3.85 C ATOM 573 O THR A 39 -6.373 -9.265 8.404 1.00 4.86 O ATOM 574 CB THR A 39 -5.803 -5.967 8.183 1.00 3.35 C ATOM 575 OG1 THR A 39 -4.572 -5.867 8.848 1.00 3.82 O ATOM 576 CG2 THR A 39 -6.901 -6.011 9.249 1.00 3.70 C ATOM 0 H THR A 39 -7.689 -6.746 6.835 1.00 2.65 H new ATOM 0 HA THR A 39 -4.878 -7.100 6.628 1.00 3.10 H new ATOM 0 HB THR A 39 -6.035 -5.124 7.532 1.00 3.35 H new ATOM 0 HG1 THR A 39 -4.438 -4.945 9.151 1.00 3.82 H new ATOM 0 HG21 THR A 39 -6.889 -5.084 9.822 1.00 3.70 H new ATOM 0 HG22 THR A 39 -7.872 -6.127 8.767 1.00 3.70 H new ATOM 0 HG23 THR A 39 -6.725 -6.853 9.918 1.00 3.70 H new ATOM 584 N ASN A 40 -4.218 -8.637 8.599 1.00 4.05 N ATOM 585 CA ASN A 40 -3.765 -9.699 9.487 1.00 4.97 C ATOM 586 C ASN A 40 -3.899 -11.079 8.832 1.00 4.50 C ATOM 587 O ASN A 40 -2.919 -11.620 8.311 1.00 4.04 O ATOM 588 CB ASN A 40 -4.460 -9.556 10.852 1.00 5.97 C ATOM 589 CG ASN A 40 -3.771 -10.371 11.936 1.00 6.92 C ATOM 590 OD1 ASN A 40 -3.064 -11.329 11.655 1.00 7.21 O ATOM 591 ND2 ASN A 40 -3.961 -9.994 13.193 1.00 7.79 N ATOM 0 H ASN A 40 -3.468 -7.993 8.349 1.00 4.05 H new ATOM 0 HA ASN A 40 -2.696 -9.601 9.675 1.00 4.97 H new ATOM 0 HB2 ASN A 40 -4.473 -8.506 11.143 1.00 5.97 H new ATOM 0 HB3 ASN A 40 -5.498 -9.876 10.764 1.00 5.97 H new ATOM 0 HD21 ASN A 40 -3.513 -10.507 13.952 1.00 7.79 H new ATOM 0 HD22 ASN A 40 -4.555 -9.191 13.400 1.00 7.79 H new ATOM 598 N SER A 41 -5.107 -11.648 8.816 1.00 5.11 N ATOM 599 CA SER A 41 -5.385 -12.921 8.175 1.00 4.84 C ATOM 600 C SER A 41 -5.364 -12.789 6.652 1.00 4.75 C ATOM 601 O SER A 41 -6.411 -12.742 6.012 1.00 5.48 O ATOM 602 CB SER A 41 -6.751 -13.441 8.629 1.00 5.84 C ATOM 603 OG SER A 41 -6.748 -13.666 10.024 1.00 7.35 O ATOM 0 H SER A 41 -5.925 -11.226 9.256 1.00 5.11 H new ATOM 0 HA SER A 41 -4.607 -13.626 8.467 1.00 4.84 H new ATOM 0 HB2 SER A 41 -7.527 -12.720 8.371 1.00 5.84 H new ATOM 0 HB3 SER A 41 -6.989 -14.366 8.104 1.00 5.84 H new ATOM 0 HG SER A 41 -7.670 -13.683 10.355 1.00 7.35 H new ATOM 609 N LYS A 42 -4.169 -12.823 6.059 1.00 4.70 N ATOM 610 CA LYS A 42 -4.018 -12.988 4.617 1.00 4.82 C ATOM 611 C LYS A 42 -2.930 -14.019 4.356 1.00 4.13 C ATOM 612 O LYS A 42 -3.214 -15.094 3.840 1.00 4.38 O ATOM 613 CB LYS A 42 -3.783 -11.629 3.931 1.00 5.62 C ATOM 614 CG LYS A 42 -4.309 -11.599 2.487 1.00 5.93 C ATOM 615 CD LYS A 42 -3.549 -12.500 1.507 1.00 5.66 C ATOM 616 CE LYS A 42 -4.204 -12.404 0.124 1.00 6.00 C ATOM 617 NZ LYS A 42 -3.643 -13.388 -0.828 1.00 6.10 N ATOM 0 H LYS A 42 -3.286 -12.737 6.563 1.00 4.70 H new ATOM 0 HA LYS A 42 -4.936 -13.370 4.171 1.00 4.82 H new ATOM 0 HB2 LYS A 42 -4.272 -10.845 4.509 1.00 5.62 H new ATOM 0 HB3 LYS A 42 -2.716 -11.406 3.930 1.00 5.62 H new ATOM 0 HG2 LYS A 42 -5.358 -11.894 2.491 1.00 5.93 H new ATOM 0 HG3 LYS A 42 -4.268 -10.573 2.122 1.00 5.93 H new ATOM 0 HD2 LYS A 42 -2.504 -12.196 1.450 1.00 5.66 H new ATOM 0 HD3 LYS A 42 -3.562 -13.532 1.858 1.00 5.66 H new ATOM 0 HE2 LYS A 42 -5.278 -12.565 0.220 1.00 6.00 H new ATOM 0 HE3 LYS A 42 -4.067 -11.398 -0.272 1.00 6.00 H new ATOM 0 HZ1 LYS A 42 -4.115 -13.287 -1.749 1.00 6.10 H new ATOM 0 HZ2 LYS A 42 -2.623 -13.219 -0.941 1.00 6.10 H new ATOM 0 HZ3 LYS A 42 -3.796 -14.350 -0.464 1.00 6.10 H new ATOM 631 N LYS A 43 -1.677 -13.711 4.700 1.00 3.89 N ATOM 632 CA LYS A 43 -0.569 -14.638 4.491 1.00 3.39 C ATOM 633 C LYS A 43 0.510 -14.347 5.526 1.00 2.63 C ATOM 634 O LYS A 43 1.604 -13.946 5.153 1.00 2.87 O ATOM 635 CB LYS A 43 -0.065 -14.484 3.038 1.00 3.74 C ATOM 636 CG LYS A 43 0.638 -15.718 2.441 1.00 4.25 C ATOM 637 CD LYS A 43 2.169 -15.787 2.577 1.00 4.64 C ATOM 638 CE LYS A 43 2.653 -16.474 3.859 1.00 5.99 C ATOM 639 NZ LYS A 43 4.108 -16.743 3.814 1.00 6.56 N ATOM 0 H LYS A 43 -1.407 -12.824 5.125 1.00 3.89 H new ATOM 0 HA LYS A 43 -0.878 -15.675 4.623 1.00 3.39 H new ATOM 0 HB2 LYS A 43 -0.914 -14.230 2.403 1.00 3.74 H new ATOM 0 HB3 LYS A 43 0.625 -13.641 3.000 1.00 3.74 H new ATOM 0 HG2 LYS A 43 0.216 -16.607 2.910 1.00 4.25 H new ATOM 0 HG3 LYS A 43 0.390 -15.769 1.381 1.00 4.25 H new ATOM 0 HD2 LYS A 43 2.576 -16.319 1.717 1.00 4.64 H new ATOM 0 HD3 LYS A 43 2.572 -14.775 2.546 1.00 4.64 H new ATOM 0 HE2 LYS A 43 2.425 -15.844 4.719 1.00 5.99 H new ATOM 0 HE3 LYS A 43 2.113 -17.411 3.997 1.00 5.99 H new ATOM 0 HZ1 LYS A 43 4.437 -17.034 4.757 1.00 6.56 H new ATOM 0 HZ2 LYS A 43 4.299 -17.504 3.131 1.00 6.56 H new ATOM 0 HZ3 LYS A 43 4.612 -15.881 3.522 1.00 6.56 H new ATOM 653 N PHE A 44 0.200 -14.495 6.821 1.00 2.78 N ATOM 654 CA PHE A 44 1.080 -14.100 7.928 1.00 2.71 C ATOM 655 C PHE A 44 1.764 -12.753 7.664 1.00 2.15 C ATOM 656 O PHE A 44 2.946 -12.589 7.950 1.00 2.75 O ATOM 657 CB PHE A 44 2.103 -15.214 8.219 1.00 3.28 C ATOM 658 CG PHE A 44 1.566 -16.341 9.071 1.00 3.83 C ATOM 659 CD1 PHE A 44 1.392 -16.131 10.451 1.00 5.06 C ATOM 660 CD2 PHE A 44 1.292 -17.602 8.513 1.00 4.01 C ATOM 661 CE1 PHE A 44 0.948 -17.180 11.274 1.00 5.89 C ATOM 662 CE2 PHE A 44 0.849 -18.652 9.337 1.00 5.02 C ATOM 663 CZ PHE A 44 0.679 -18.441 10.717 1.00 5.74 C ATOM 0 H PHE A 44 -0.683 -14.899 7.133 1.00 2.78 H new ATOM 0 HA PHE A 44 0.464 -13.963 8.817 1.00 2.71 H new ATOM 0 HB2 PHE A 44 2.455 -15.625 7.273 1.00 3.28 H new ATOM 0 HB3 PHE A 44 2.968 -14.777 8.718 1.00 3.28 H new ATOM 0 HD1 PHE A 44 1.600 -15.161 10.879 1.00 5.06 H new ATOM 0 HD2 PHE A 44 1.422 -17.764 7.453 1.00 4.01 H new ATOM 0 HE1 PHE A 44 0.814 -17.017 12.333 1.00 5.89 H new ATOM 0 HE2 PHE A 44 0.639 -19.621 8.910 1.00 5.02 H new ATOM 0 HZ PHE A 44 0.341 -19.249 11.349 1.00 5.74 H new ATOM 673 N ILE A 45 1.010 -11.786 7.124 1.00 1.45 N ATOM 674 CA ILE A 45 1.487 -10.454 6.761 1.00 1.56 C ATOM 675 C ILE A 45 2.922 -10.470 6.187 1.00 1.65 C ATOM 676 O ILE A 45 3.735 -9.598 6.473 1.00 2.82 O ATOM 677 CB ILE A 45 1.269 -9.469 7.935 1.00 2.39 C ATOM 678 CG1 ILE A 45 1.390 -10.041 9.364 1.00 1.94 C ATOM 679 CG2 ILE A 45 -0.074 -8.754 7.776 1.00 4.23 C ATOM 680 CD1 ILE A 45 0.135 -10.747 9.902 1.00 2.42 C ATOM 0 H ILE A 45 0.019 -11.919 6.923 1.00 1.45 H new ATOM 0 HA ILE A 45 0.886 -10.081 5.932 1.00 1.56 H new ATOM 0 HB ILE A 45 2.110 -8.780 7.854 1.00 2.39 H new ATOM 0 HG12 ILE A 45 2.220 -10.747 9.385 1.00 1.94 H new ATOM 0 HG13 ILE A 45 1.647 -9.227 10.042 1.00 1.94 H new ATOM 0 HG21 ILE A 45 -0.219 -8.063 8.606 1.00 4.23 H new ATOM 0 HG22 ILE A 45 -0.082 -8.200 6.837 1.00 4.23 H new ATOM 0 HG23 ILE A 45 -0.879 -9.489 7.771 1.00 4.23 H new ATOM 0 HD11 ILE A 45 0.327 -11.111 10.911 1.00 2.42 H new ATOM 0 HD12 ILE A 45 -0.698 -10.044 9.922 1.00 2.42 H new ATOM 0 HD13 ILE A 45 -0.115 -11.588 9.255 1.00 2.42 H new ATOM 692 N ASP A 46 3.205 -11.442 5.316 1.00 0.96 N ATOM 693 CA ASP A 46 4.495 -11.731 4.686 1.00 0.90 C ATOM 694 C ASP A 46 5.022 -10.523 3.912 1.00 0.75 C ATOM 695 O ASP A 46 6.184 -10.126 4.021 1.00 0.73 O ATOM 696 CB ASP A 46 4.248 -12.921 3.753 1.00 1.09 C ATOM 697 CG ASP A 46 5.441 -13.355 2.910 1.00 1.29 C ATOM 698 OD1 ASP A 46 5.933 -12.525 2.112 1.00 2.18 O ATOM 699 OD2 ASP A 46 5.774 -14.556 3.022 1.00 2.31 O ATOM 0 H ASP A 46 2.484 -12.096 5.010 1.00 0.96 H new ATOM 0 HA ASP A 46 5.255 -11.961 5.433 1.00 0.90 H new ATOM 0 HB2 ASP A 46 3.923 -13.770 4.354 1.00 1.09 H new ATOM 0 HB3 ASP A 46 3.425 -12.670 3.084 1.00 1.09 H new ATOM 704 N ILE A 47 4.131 -9.926 3.125 1.00 0.82 N ATOM 705 CA ILE A 47 4.423 -8.754 2.321 1.00 0.68 C ATOM 706 C ILE A 47 4.891 -7.629 3.251 1.00 0.48 C ATOM 707 O ILE A 47 5.977 -7.082 3.075 1.00 0.45 O ATOM 708 CB ILE A 47 3.178 -8.384 1.490 1.00 0.71 C ATOM 709 CG1 ILE A 47 2.689 -9.521 0.577 1.00 0.93 C ATOM 710 CG2 ILE A 47 3.437 -7.122 0.669 1.00 0.53 C ATOM 711 CD1 ILE A 47 3.471 -9.581 -0.727 1.00 0.92 C ATOM 0 H ILE A 47 3.170 -10.253 3.030 1.00 0.82 H new ATOM 0 HA ILE A 47 5.227 -8.944 1.610 1.00 0.68 H new ATOM 0 HB ILE A 47 2.379 -8.198 2.208 1.00 0.71 H new ATOM 0 HG12 ILE A 47 2.783 -10.472 1.100 1.00 0.93 H new ATOM 0 HG13 ILE A 47 1.630 -9.381 0.359 1.00 0.93 H new ATOM 0 HG21 ILE A 47 2.547 -6.876 0.089 1.00 0.53 H new ATOM 0 HG22 ILE A 47 3.674 -6.295 1.338 1.00 0.53 H new ATOM 0 HG23 ILE A 47 4.275 -7.293 -0.007 1.00 0.53 H new ATOM 0 HD11 ILE A 47 3.092 -10.398 -1.341 1.00 0.92 H new ATOM 0 HD12 ILE A 47 3.355 -8.640 -1.264 1.00 0.92 H new ATOM 0 HD13 ILE A 47 4.526 -9.748 -0.511 1.00 0.92 H new ATOM 723 N PHE A 48 4.079 -7.313 4.262 1.00 0.46 N ATOM 724 CA PHE A 48 4.372 -6.324 5.290 1.00 0.37 C ATOM 725 C PHE A 48 5.620 -6.689 6.091 1.00 0.33 C ATOM 726 O PHE A 48 6.283 -5.802 6.616 1.00 0.32 O ATOM 727 CB PHE A 48 3.139 -6.196 6.201 1.00 0.51 C ATOM 728 CG PHE A 48 3.352 -5.401 7.475 1.00 0.46 C ATOM 729 CD1 PHE A 48 3.763 -4.066 7.391 1.00 0.45 C ATOM 730 CD2 PHE A 48 3.152 -5.983 8.741 1.00 0.48 C ATOM 731 CE1 PHE A 48 4.010 -3.330 8.557 1.00 0.48 C ATOM 732 CE2 PHE A 48 3.347 -5.231 9.913 1.00 0.48 C ATOM 733 CZ PHE A 48 3.796 -3.903 9.820 1.00 0.49 C ATOM 0 H PHE A 48 3.169 -7.756 4.388 1.00 0.46 H new ATOM 0 HA PHE A 48 4.585 -5.365 4.818 1.00 0.37 H new ATOM 0 HB2 PHE A 48 2.335 -5.730 5.632 1.00 0.51 H new ATOM 0 HB3 PHE A 48 2.801 -7.197 6.469 1.00 0.51 H new ATOM 0 HD1 PHE A 48 3.890 -3.602 6.424 1.00 0.45 H new ATOM 0 HD2 PHE A 48 2.846 -7.016 8.813 1.00 0.48 H new ATOM 0 HE1 PHE A 48 4.368 -2.314 8.483 1.00 0.48 H new ATOM 0 HE2 PHE A 48 3.153 -5.672 10.880 1.00 0.48 H new ATOM 0 HZ PHE A 48 3.975 -3.326 10.715 1.00 0.49 H new ATOM 743 N LYS A 49 5.952 -7.971 6.242 1.00 0.43 N ATOM 744 CA LYS A 49 7.041 -8.334 7.132 1.00 0.50 C ATOM 745 C LYS A 49 8.360 -7.814 6.586 1.00 0.50 C ATOM 746 O LYS A 49 9.147 -7.251 7.337 1.00 0.58 O ATOM 747 CB LYS A 49 7.095 -9.852 7.382 1.00 0.70 C ATOM 748 CG LYS A 49 6.915 -10.224 8.860 1.00 0.65 C ATOM 749 CD LYS A 49 5.450 -10.196 9.322 1.00 1.09 C ATOM 750 CE LYS A 49 4.805 -8.809 9.254 1.00 1.00 C ATOM 751 NZ LYS A 49 5.449 -7.827 10.157 1.00 1.16 N ATOM 0 H LYS A 49 5.494 -8.752 5.772 1.00 0.43 H new ATOM 0 HA LYS A 49 6.858 -7.864 8.098 1.00 0.50 H new ATOM 0 HB2 LYS A 49 6.318 -10.339 6.793 1.00 0.70 H new ATOM 0 HB3 LYS A 49 8.051 -10.239 7.030 1.00 0.70 H new ATOM 0 HG2 LYS A 49 7.322 -11.221 9.028 1.00 0.65 H new ATOM 0 HG3 LYS A 49 7.495 -9.535 9.474 1.00 0.65 H new ATOM 0 HD2 LYS A 49 4.872 -10.885 8.707 1.00 1.09 H new ATOM 0 HD3 LYS A 49 5.395 -10.562 10.347 1.00 1.09 H new ATOM 0 HE2 LYS A 49 4.856 -8.440 8.230 1.00 1.00 H new ATOM 0 HE3 LYS A 49 3.749 -8.892 9.511 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 4.982 -6.903 10.056 1.00 1.16 H new ATOM 0 HZ2 LYS A 49 5.363 -8.152 11.141 1.00 1.16 H new ATOM 0 HZ3 LYS A 49 6.455 -7.735 9.909 1.00 1.16 H new ATOM 765 N GLU A 50 8.592 -8.035 5.297 1.00 0.49 N ATOM 766 CA GLU A 50 9.817 -7.594 4.657 1.00 0.54 C ATOM 767 C GLU A 50 9.662 -6.128 4.241 1.00 0.43 C ATOM 768 O GLU A 50 10.435 -5.257 4.632 1.00 0.52 O ATOM 769 CB GLU A 50 10.085 -8.511 3.452 1.00 0.65 C ATOM 770 CG GLU A 50 11.522 -8.403 2.939 1.00 1.25 C ATOM 771 CD GLU A 50 12.487 -9.116 3.886 1.00 1.36 C ATOM 772 OE1 GLU A 50 12.520 -10.364 3.823 1.00 2.31 O ATOM 773 OE2 GLU A 50 13.144 -8.411 4.682 1.00 1.85 O ATOM 0 H GLU A 50 7.943 -8.519 4.676 1.00 0.49 H new ATOM 0 HA GLU A 50 10.668 -7.657 5.335 1.00 0.54 H new ATOM 0 HB2 GLU A 50 9.880 -9.544 3.734 1.00 0.65 H new ATOM 0 HB3 GLU A 50 9.396 -8.257 2.647 1.00 0.65 H new ATOM 0 HG2 GLU A 50 11.592 -8.840 1.943 1.00 1.25 H new ATOM 0 HG3 GLU A 50 11.803 -7.354 2.847 1.00 1.25 H new ATOM 780 N GLU A 51 8.649 -5.847 3.423 1.00 0.38 N ATOM 781 CA GLU A 51 8.563 -4.586 2.700 1.00 0.31 C ATOM 782 C GLU A 51 7.977 -3.483 3.574 1.00 0.26 C ATOM 783 O GLU A 51 8.199 -2.294 3.328 1.00 0.27 O ATOM 784 CB GLU A 51 7.721 -4.780 1.437 1.00 0.30 C ATOM 785 CG GLU A 51 8.201 -5.957 0.573 1.00 0.57 C ATOM 786 CD GLU A 51 9.570 -5.745 -0.069 1.00 1.17 C ATOM 787 OE1 GLU A 51 10.288 -4.795 0.331 1.00 2.65 O ATOM 788 OE2 GLU A 51 9.847 -6.546 -0.990 1.00 1.98 O ATOM 0 H GLU A 51 7.872 -6.484 3.246 1.00 0.38 H new ATOM 0 HA GLU A 51 9.570 -4.276 2.419 1.00 0.31 H new ATOM 0 HB2 GLU A 51 6.682 -4.945 1.721 1.00 0.30 H new ATOM 0 HB3 GLU A 51 7.748 -3.866 0.844 1.00 0.30 H new ATOM 0 HG2 GLU A 51 8.237 -6.855 1.190 1.00 0.57 H new ATOM 0 HG3 GLU A 51 7.468 -6.139 -0.213 1.00 0.57 H new ATOM 795 N GLY A 52 7.258 -3.853 4.633 1.00 0.30 N ATOM 796 CA GLY A 52 6.770 -2.953 5.651 1.00 0.32 C ATOM 797 C GLY A 52 7.867 -2.444 6.587 1.00 0.36 C ATOM 798 O GLY A 52 7.677 -2.351 7.797 1.00 0.42 O ATOM 0 H GLY A 52 6.996 -4.824 4.802 1.00 0.30 H new ATOM 0 HA2 GLY A 52 6.287 -2.101 5.172 1.00 0.32 H new ATOM 0 HA3 GLY A 52 6.007 -3.462 6.240 1.00 0.32 H new ATOM 802 N SER A 53 9.032 -2.095 6.043 1.00 0.35 N ATOM 803 CA SER A 53 10.045 -1.242 6.640 1.00 0.47 C ATOM 804 C SER A 53 10.823 -0.572 5.502 1.00 0.51 C ATOM 805 O SER A 53 12.029 -0.373 5.611 1.00 0.76 O ATOM 806 CB SER A 53 10.972 -2.088 7.525 1.00 0.60 C ATOM 807 OG SER A 53 10.319 -2.456 8.724 1.00 1.83 O ATOM 0 H SER A 53 9.305 -2.423 5.117 1.00 0.35 H new ATOM 0 HA SER A 53 9.593 -0.476 7.270 1.00 0.47 H new ATOM 0 HB2 SER A 53 11.282 -2.982 6.985 1.00 0.60 H new ATOM 0 HB3 SER A 53 11.876 -1.525 7.756 1.00 0.60 H new ATOM 0 HG SER A 53 9.351 -2.346 8.616 1.00 1.83 H new ATOM 813 N ASN A 54 10.146 -0.265 4.386 1.00 0.41 N ATOM 814 CA ASN A 54 10.835 0.005 3.125 1.00 0.63 C ATOM 815 C ASN A 54 10.154 1.077 2.286 1.00 0.76 C ATOM 816 O ASN A 54 10.814 1.885 1.634 1.00 1.16 O ATOM 817 CB ASN A 54 10.926 -1.314 2.333 1.00 0.74 C ATOM 818 CG ASN A 54 12.162 -1.428 1.458 1.00 1.18 C ATOM 819 OD1 ASN A 54 12.960 -0.502 1.359 1.00 1.10 O ATOM 820 ND2 ASN A 54 12.335 -2.571 0.800 1.00 2.36 N ATOM 0 H ASN A 54 9.129 -0.199 4.335 1.00 0.41 H new ATOM 0 HA ASN A 54 11.827 0.393 3.359 1.00 0.63 H new ATOM 0 HB2 ASN A 54 10.912 -2.148 3.034 1.00 0.74 H new ATOM 0 HB3 ASN A 54 10.040 -1.411 1.706 1.00 0.74 H new ATOM 0 HD21 ASN A 54 13.147 -2.693 0.195 1.00 2.36 H new ATOM 0 HD22 ASN A 54 11.656 -3.325 0.900 1.00 2.36 H new ATOM 827 N LEU A 55 8.824 1.071 2.271 1.00 0.48 N ATOM 828 CA LEU A 55 8.059 2.057 1.520 1.00 0.51 C ATOM 829 C LEU A 55 8.131 3.426 2.187 1.00 0.57 C ATOM 830 O LEU A 55 8.176 4.449 1.509 1.00 0.68 O ATOM 831 CB LEU A 55 6.599 1.609 1.433 1.00 0.39 C ATOM 832 CG LEU A 55 6.426 0.210 0.832 1.00 0.41 C ATOM 833 CD1 LEU A 55 4.958 0.015 0.445 1.00 0.40 C ATOM 834 CD2 LEU A 55 7.317 -0.001 -0.390 1.00 0.53 C ATOM 0 H LEU A 55 8.253 0.391 2.773 1.00 0.48 H new ATOM 0 HA LEU A 55 8.485 2.137 0.520 1.00 0.51 H new ATOM 0 HB2 LEU A 55 6.162 1.624 2.432 1.00 0.39 H new ATOM 0 HB3 LEU A 55 6.042 2.327 0.831 1.00 0.39 H new ATOM 0 HG LEU A 55 6.724 -0.524 1.581 1.00 0.41 H new ATOM 0 HD11 LEU A 55 4.824 -0.978 0.016 1.00 0.40 H new ATOM 0 HD12 LEU A 55 4.332 0.115 1.331 1.00 0.40 H new ATOM 0 HD13 LEU A 55 4.672 0.769 -0.288 1.00 0.40 H new ATOM 0 HD21 LEU A 55 7.162 -1.005 -0.784 1.00 0.53 H new ATOM 0 HD22 LEU A 55 7.064 0.732 -1.156 1.00 0.53 H new ATOM 0 HD23 LEU A 55 8.362 0.120 -0.104 1.00 0.53 H new ATOM 846 N THR A 56 8.095 3.433 3.521 1.00 0.54 N ATOM 847 CA THR A 56 7.972 4.626 4.365 1.00 0.60 C ATOM 848 C THR A 56 7.744 4.182 5.813 1.00 0.56 C ATOM 849 O THR A 56 7.521 3.000 6.078 1.00 0.47 O ATOM 850 CB THR A 56 6.880 5.603 3.863 1.00 0.71 C ATOM 851 OG1 THR A 56 6.706 6.682 4.764 1.00 0.91 O ATOM 852 CG2 THR A 56 5.520 4.947 3.666 1.00 0.50 C ATOM 0 H THR A 56 8.153 2.573 4.066 1.00 0.54 H new ATOM 0 HA THR A 56 8.900 5.195 4.310 1.00 0.60 H new ATOM 0 HB THR A 56 7.242 5.952 2.896 1.00 0.71 H new ATOM 0 HG1 THR A 56 6.013 7.285 4.423 1.00 0.91 H new ATOM 0 HG21 THR A 56 4.805 5.690 3.314 1.00 0.50 H new ATOM 0 HG22 THR A 56 5.605 4.148 2.930 1.00 0.50 H new ATOM 0 HG23 THR A 56 5.175 4.533 4.613 1.00 0.50 H new ATOM 860 N SER A 57 7.756 5.127 6.754 1.00 0.68 N ATOM 861 CA SER A 57 7.405 4.899 8.147 1.00 0.70 C ATOM 862 C SER A 57 5.957 4.430 8.278 1.00 0.62 C ATOM 863 O SER A 57 5.668 3.575 9.111 1.00 0.59 O ATOM 864 CB SER A 57 7.624 6.186 8.942 1.00 0.88 C ATOM 865 OG SER A 57 8.893 6.720 8.624 1.00 1.34 O ATOM 0 H SER A 57 8.017 6.094 6.559 1.00 0.68 H new ATOM 0 HA SER A 57 8.045 4.113 8.547 1.00 0.70 H new ATOM 0 HB2 SER A 57 6.843 6.909 8.708 1.00 0.88 H new ATOM 0 HB3 SER A 57 7.560 5.982 10.011 1.00 0.88 H new ATOM 0 HG SER A 57 9.036 7.547 9.131 1.00 1.34 H new ATOM 871 N TYR A 58 5.046 4.952 7.444 1.00 0.64 N ATOM 872 CA TYR A 58 3.670 4.454 7.421 1.00 0.57 C ATOM 873 C TYR A 58 3.606 3.004 6.922 1.00 0.47 C ATOM 874 O TYR A 58 2.626 2.298 7.157 1.00 0.55 O ATOM 875 CB TYR A 58 2.741 5.354 6.584 1.00 0.65 C ATOM 876 CG TYR A 58 1.858 6.301 7.386 1.00 0.67 C ATOM 877 CD1 TYR A 58 1.188 5.852 8.543 1.00 0.63 C ATOM 878 CD2 TYR A 58 1.649 7.621 6.943 1.00 0.87 C ATOM 879 CE1 TYR A 58 0.372 6.722 9.284 1.00 0.80 C ATOM 880 CE2 TYR A 58 0.803 8.491 7.658 1.00 0.98 C ATOM 881 CZ TYR A 58 0.166 8.053 8.844 1.00 0.95 C ATOM 882 OH TYR A 58 -0.713 8.872 9.502 1.00 1.13 O ATOM 0 H TYR A 58 5.236 5.708 6.786 1.00 0.64 H new ATOM 0 HA TYR A 58 3.313 4.479 8.451 1.00 0.57 H new ATOM 0 HB2 TYR A 58 3.352 5.944 5.901 1.00 0.65 H new ATOM 0 HB3 TYR A 58 2.102 4.718 5.971 1.00 0.65 H new ATOM 0 HD1 TYR A 58 1.304 4.827 8.863 1.00 0.63 H new ATOM 0 HD2 TYR A 58 2.142 7.969 6.047 1.00 0.87 H new ATOM 0 HE1 TYR A 58 -0.100 6.376 10.192 1.00 0.80 H new ATOM 0 HE2 TYR A 58 0.640 9.497 7.300 1.00 0.98 H new ATOM 0 HH TYR A 58 -0.730 9.750 9.067 1.00 1.13 H new ATOM 892 N GLY A 59 4.664 2.544 6.260 1.00 0.44 N ATOM 893 CA GLY A 59 4.796 1.172 5.832 1.00 0.39 C ATOM 894 C GLY A 59 5.217 0.273 6.982 1.00 0.37 C ATOM 895 O GLY A 59 5.151 -0.938 6.840 1.00 0.37 O ATOM 0 H GLY A 59 5.460 3.129 6.007 1.00 0.44 H new ATOM 0 HA2 GLY A 59 3.847 0.823 5.424 1.00 0.39 H new ATOM 0 HA3 GLY A 59 5.531 1.108 5.030 1.00 0.39 H new ATOM 899 N ARG A 60 5.657 0.828 8.114 1.00 0.46 N ATOM 900 CA ARG A 60 6.144 0.052 9.249 1.00 0.54 C ATOM 901 C ARG A 60 5.202 0.106 10.444 1.00 0.58 C ATOM 902 O ARG A 60 5.328 -0.696 11.367 1.00 0.60 O ATOM 903 CB ARG A 60 7.539 0.555 9.620 1.00 0.65 C ATOM 904 CG ARG A 60 8.294 -0.376 10.583 1.00 0.77 C ATOM 905 CD ARG A 60 8.333 0.213 11.999 1.00 1.27 C ATOM 906 NE ARG A 60 9.048 -0.670 12.932 1.00 1.22 N ATOM 907 CZ ARG A 60 9.483 -0.315 14.147 1.00 1.78 C ATOM 908 NH1 ARG A 60 9.287 0.926 14.593 1.00 2.66 N ATOM 909 NH2 ARG A 60 10.116 -1.201 14.918 1.00 1.83 N ATOM 0 H ARG A 60 5.684 1.836 8.266 1.00 0.46 H new ATOM 0 HA ARG A 60 6.191 -0.997 8.957 1.00 0.54 H new ATOM 0 HB2 ARG A 60 8.126 0.676 8.710 1.00 0.65 H new ATOM 0 HB3 ARG A 60 7.451 1.541 10.076 1.00 0.65 H new ATOM 0 HG2 ARG A 60 7.810 -1.353 10.605 1.00 0.77 H new ATOM 0 HG3 ARG A 60 9.311 -0.532 10.222 1.00 0.77 H new ATOM 0 HD2 ARG A 60 8.819 1.188 11.975 1.00 1.27 H new ATOM 0 HD3 ARG A 60 7.315 0.373 12.356 1.00 1.27 H new ATOM 0 HE ARG A 60 9.226 -1.628 12.630 1.00 1.22 H new ATOM 0 HH11 ARG A 60 8.804 1.608 14.008 1.00 2.66 H new ATOM 0 HH12 ARG A 60 9.620 1.193 15.519 1.00 2.66 H new ATOM 0 HH21 ARG A 60 10.270 -2.152 14.582 1.00 1.83 H new ATOM 0 HH22 ARG A 60 10.446 -0.928 15.843 1.00 1.83 H new ATOM 923 N THR A 61 4.273 1.059 10.441 1.00 0.59 N ATOM 924 CA THR A 61 3.087 1.027 11.290 1.00 0.56 C ATOM 925 C THR A 61 2.233 -0.203 10.945 1.00 0.66 C ATOM 926 O THR A 61 2.698 -1.091 10.237 1.00 1.11 O ATOM 927 CB THR A 61 2.333 2.358 11.111 1.00 0.58 C ATOM 928 OG1 THR A 61 2.434 2.797 9.779 1.00 1.05 O ATOM 929 CG2 THR A 61 2.995 3.429 11.971 1.00 0.78 C ATOM 0 H THR A 61 4.324 1.883 9.842 1.00 0.59 H new ATOM 0 HA THR A 61 3.352 0.929 12.343 1.00 0.56 H new ATOM 0 HB THR A 61 1.291 2.201 11.390 1.00 0.58 H new ATOM 0 HG1 THR A 61 2.316 2.035 9.174 1.00 1.05 H new ATOM 0 HG21 THR A 61 2.465 4.373 11.848 1.00 0.78 H new ATOM 0 HG22 THR A 61 2.961 3.127 13.018 1.00 0.78 H new ATOM 0 HG23 THR A 61 4.033 3.553 11.663 1.00 0.78 H new ATOM 937 N ASN A 62 0.993 -0.287 11.444 1.00 0.51 N ATOM 938 CA ASN A 62 0.134 -1.446 11.198 1.00 0.54 C ATOM 939 C ASN A 62 0.121 -1.809 9.714 1.00 0.50 C ATOM 940 O ASN A 62 0.123 -0.927 8.855 1.00 0.43 O ATOM 941 CB ASN A 62 -1.308 -1.174 11.659 1.00 0.56 C ATOM 942 CG ASN A 62 -1.475 -1.202 13.171 1.00 1.13 C ATOM 943 OD1 ASN A 62 -0.519 -1.029 13.917 1.00 2.19 O ATOM 944 ND2 ASN A 62 -2.697 -1.397 13.647 1.00 1.32 N ATOM 0 H ASN A 62 0.564 0.437 12.021 1.00 0.51 H new ATOM 0 HA ASN A 62 0.543 -2.278 11.771 1.00 0.54 H new ATOM 0 HB2 ASN A 62 -1.624 -0.200 11.284 1.00 0.56 H new ATOM 0 HB3 ASN A 62 -1.970 -1.917 11.214 1.00 0.56 H new ATOM 0 HD21 ASN A 62 -2.857 -1.405 14.654 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -3.477 -1.539 13.006 1.00 1.32 H new ATOM 951 N GLU A 63 0.024 -3.103 9.413 1.00 0.59 N ATOM 952 CA GLU A 63 -0.104 -3.617 8.053 1.00 0.49 C ATOM 953 C GLU A 63 -1.222 -2.909 7.277 1.00 0.43 C ATOM 954 O GLU A 63 -1.142 -2.752 6.064 1.00 0.41 O ATOM 955 CB GLU A 63 -0.332 -5.135 8.062 1.00 0.52 C ATOM 956 CG GLU A 63 -1.721 -5.534 8.577 1.00 2.27 C ATOM 957 CD GLU A 63 -1.976 -5.023 9.999 1.00 4.25 C ATOM 958 OE1 GLU A 63 -1.145 -5.343 10.875 1.00 5.10 O ATOM 959 OE2 GLU A 63 -2.911 -4.202 10.168 1.00 5.56 O ATOM 0 H GLU A 63 0.032 -3.836 10.122 1.00 0.59 H new ATOM 0 HA GLU A 63 0.835 -3.409 7.540 1.00 0.49 H new ATOM 0 HB2 GLU A 63 -0.201 -5.522 7.051 1.00 0.52 H new ATOM 0 HB3 GLU A 63 0.429 -5.607 8.684 1.00 0.52 H new ATOM 0 HG2 GLU A 63 -2.484 -5.137 7.907 1.00 2.27 H new ATOM 0 HG3 GLU A 63 -1.816 -6.620 8.560 1.00 2.27 H new ATOM 966 N ALA A 64 -2.277 -2.489 7.973 1.00 0.45 N ATOM 967 CA ALA A 64 -3.401 -1.773 7.400 1.00 0.41 C ATOM 968 C ALA A 64 -2.937 -0.454 6.789 1.00 0.36 C ATOM 969 O ALA A 64 -3.383 -0.053 5.715 1.00 0.37 O ATOM 970 CB ALA A 64 -4.461 -1.566 8.492 1.00 0.52 C ATOM 0 H ALA A 64 -2.370 -2.644 8.977 1.00 0.45 H new ATOM 0 HA ALA A 64 -3.847 -2.352 6.591 1.00 0.41 H new ATOM 0 HB1 ALA A 64 -5.313 -1.028 8.075 1.00 0.52 H new ATOM 0 HB2 ALA A 64 -4.791 -2.535 8.867 1.00 0.52 H new ATOM 0 HB3 ALA A 64 -4.032 -0.988 9.310 1.00 0.52 H new ATOM 976 N GLU A 65 -2.048 0.245 7.489 1.00 0.36 N ATOM 977 CA GLU A 65 -1.479 1.482 6.995 1.00 0.34 C ATOM 978 C GLU A 65 -0.549 1.210 5.834 1.00 0.31 C ATOM 979 O GLU A 65 -0.661 1.906 4.836 1.00 0.37 O ATOM 980 CB GLU A 65 -0.761 2.242 8.102 1.00 0.40 C ATOM 981 CG GLU A 65 -1.754 2.471 9.237 1.00 0.51 C ATOM 982 CD GLU A 65 -1.466 3.794 9.931 1.00 0.78 C ATOM 983 OE1 GLU A 65 -2.032 4.800 9.440 1.00 1.53 O ATOM 984 OE2 GLU A 65 -0.670 3.809 10.889 1.00 1.89 O ATOM 0 H GLU A 65 -1.707 -0.033 8.409 1.00 0.36 H new ATOM 0 HA GLU A 65 -2.296 2.112 6.641 1.00 0.34 H new ATOM 0 HB2 GLU A 65 0.100 1.675 8.457 1.00 0.40 H new ATOM 0 HB3 GLU A 65 -0.384 3.194 7.728 1.00 0.40 H new ATOM 0 HG2 GLU A 65 -2.771 2.472 8.845 1.00 0.51 H new ATOM 0 HG3 GLU A 65 -1.690 1.654 9.956 1.00 0.51 H new ATOM 991 N PHE A 66 0.315 0.205 5.955 1.00 0.32 N ATOM 992 CA PHE A 66 1.223 -0.276 4.919 1.00 0.31 C ATOM 993 C PHE A 66 0.492 -0.562 3.602 1.00 0.24 C ATOM 994 O PHE A 66 0.953 -0.194 2.525 1.00 0.25 O ATOM 995 CB PHE A 66 1.922 -1.511 5.489 1.00 0.36 C ATOM 996 CG PHE A 66 2.646 -2.352 4.476 1.00 0.31 C ATOM 997 CD1 PHE A 66 3.968 -2.050 4.131 1.00 0.28 C ATOM 998 CD2 PHE A 66 1.994 -3.446 3.884 1.00 0.33 C ATOM 999 CE1 PHE A 66 4.626 -2.801 3.157 1.00 0.27 C ATOM 1000 CE2 PHE A 66 2.676 -4.239 2.949 1.00 0.31 C ATOM 1001 CZ PHE A 66 3.999 -3.918 2.598 1.00 0.28 C ATOM 0 H PHE A 66 0.405 -0.322 6.823 1.00 0.32 H new ATOM 0 HA PHE A 66 1.959 0.486 4.662 1.00 0.31 H new ATOM 0 HB2 PHE A 66 2.635 -1.189 6.248 1.00 0.36 H new ATOM 0 HB3 PHE A 66 1.180 -2.131 5.991 1.00 0.36 H new ATOM 0 HD1 PHE A 66 4.480 -1.234 4.620 1.00 0.28 H new ATOM 0 HD2 PHE A 66 0.972 -3.676 4.147 1.00 0.33 H new ATOM 0 HE1 PHE A 66 5.618 -2.520 2.835 1.00 0.27 H new ATOM 0 HE2 PHE A 66 2.187 -5.092 2.501 1.00 0.31 H new ATOM 0 HZ PHE A 66 4.533 -4.538 1.893 1.00 0.28 H new ATOM 1011 N PHE A 67 -0.656 -1.227 3.660 1.00 0.26 N ATOM 1012 CA PHE A 67 -1.441 -1.514 2.472 1.00 0.23 C ATOM 1013 C PHE A 67 -2.038 -0.218 1.918 1.00 0.22 C ATOM 1014 O PHE A 67 -2.006 0.046 0.716 1.00 0.23 O ATOM 1015 CB PHE A 67 -2.522 -2.533 2.840 1.00 0.27 C ATOM 1016 CG PHE A 67 -3.434 -2.884 1.688 1.00 0.29 C ATOM 1017 CD1 PHE A 67 -3.028 -3.820 0.720 1.00 0.35 C ATOM 1018 CD2 PHE A 67 -4.684 -2.255 1.574 1.00 0.38 C ATOM 1019 CE1 PHE A 67 -3.879 -4.126 -0.355 1.00 0.39 C ATOM 1020 CE2 PHE A 67 -5.527 -2.564 0.493 1.00 0.46 C ATOM 1021 CZ PHE A 67 -5.128 -3.499 -0.473 1.00 0.42 C ATOM 0 H PHE A 67 -1.064 -1.579 4.526 1.00 0.26 H new ATOM 0 HA PHE A 67 -0.815 -1.940 1.688 1.00 0.23 H new ATOM 0 HB2 PHE A 67 -2.044 -3.442 3.205 1.00 0.27 H new ATOM 0 HB3 PHE A 67 -3.121 -2.136 3.660 1.00 0.27 H new ATOM 0 HD1 PHE A 67 -2.065 -4.302 0.803 1.00 0.35 H new ATOM 0 HD2 PHE A 67 -4.997 -1.535 2.316 1.00 0.38 H new ATOM 0 HE1 PHE A 67 -3.569 -4.849 -1.095 1.00 0.39 H new ATOM 0 HE2 PHE A 67 -6.488 -2.079 0.406 1.00 0.46 H new ATOM 0 HZ PHE A 67 -5.778 -3.735 -1.302 1.00 0.42 H new ATOM 1031 N ALA A 68 -2.605 0.606 2.796 1.00 0.24 N ATOM 1032 CA ALA A 68 -3.301 1.808 2.385 1.00 0.28 C ATOM 1033 C ALA A 68 -2.352 2.831 1.729 1.00 0.28 C ATOM 1034 O ALA A 68 -2.701 3.484 0.747 1.00 0.36 O ATOM 1035 CB ALA A 68 -4.005 2.342 3.629 1.00 0.36 C ATOM 0 H ALA A 68 -2.592 0.455 3.805 1.00 0.24 H new ATOM 0 HA ALA A 68 -4.034 1.596 1.607 1.00 0.28 H new ATOM 0 HB1 ALA A 68 -4.549 3.253 3.377 1.00 0.36 H new ATOM 0 HB2 ALA A 68 -4.704 1.593 4.001 1.00 0.36 H new ATOM 0 HB3 ALA A 68 -3.266 2.562 4.399 1.00 0.36 H new ATOM 1041 N GLU A 69 -1.137 2.978 2.257 1.00 0.30 N ATOM 1042 CA GLU A 69 -0.102 3.830 1.686 1.00 0.32 C ATOM 1043 C GLU A 69 0.451 3.206 0.410 1.00 0.27 C ATOM 1044 O GLU A 69 0.706 3.939 -0.542 1.00 0.27 O ATOM 1045 CB GLU A 69 0.978 4.178 2.724 1.00 0.51 C ATOM 1046 CG GLU A 69 1.773 2.982 3.260 1.00 1.20 C ATOM 1047 CD GLU A 69 3.104 2.728 2.559 1.00 2.53 C ATOM 1048 OE1 GLU A 69 3.269 3.188 1.408 1.00 3.08 O ATOM 1049 OE2 GLU A 69 3.960 2.092 3.211 1.00 3.80 O ATOM 0 H GLU A 69 -0.843 2.499 3.108 1.00 0.30 H new ATOM 0 HA GLU A 69 -0.543 4.785 1.400 1.00 0.32 H new ATOM 0 HB2 GLU A 69 1.675 4.887 2.277 1.00 0.51 H new ATOM 0 HB3 GLU A 69 0.503 4.685 3.564 1.00 0.51 H new ATOM 0 HG2 GLU A 69 1.962 3.137 4.322 1.00 1.20 H new ATOM 0 HG3 GLU A 69 1.157 2.087 3.173 1.00 1.20 H new ATOM 1056 N ALA A 70 0.532 1.873 0.319 1.00 0.29 N ATOM 1057 CA ALA A 70 0.883 1.229 -0.940 1.00 0.33 C ATOM 1058 C ALA A 70 -0.048 1.699 -2.057 1.00 0.33 C ATOM 1059 O ALA A 70 0.442 2.012 -3.133 1.00 0.37 O ATOM 1060 CB ALA A 70 0.916 -0.294 -0.799 1.00 0.38 C ATOM 0 H ALA A 70 0.361 1.232 1.094 1.00 0.29 H new ATOM 0 HA ALA A 70 1.894 1.529 -1.215 1.00 0.33 H new ATOM 0 HB1 ALA A 70 1.181 -0.742 -1.756 1.00 0.38 H new ATOM 0 HB2 ALA A 70 1.656 -0.574 -0.050 1.00 0.38 H new ATOM 0 HB3 ALA A 70 -0.066 -0.652 -0.490 1.00 0.38 H new ATOM 1066 N PHE A 71 -1.362 1.820 -1.826 1.00 0.36 N ATOM 1067 CA PHE A 71 -2.242 2.439 -2.822 1.00 0.45 C ATOM 1068 C PHE A 71 -1.777 3.848 -3.173 1.00 0.42 C ATOM 1069 O PHE A 71 -1.685 4.172 -4.357 1.00 0.48 O ATOM 1070 CB PHE A 71 -3.699 2.459 -2.361 1.00 0.59 C ATOM 1071 CG PHE A 71 -4.655 3.051 -3.384 1.00 1.31 C ATOM 1072 CD1 PHE A 71 -4.838 4.445 -3.450 1.00 3.36 C ATOM 1073 CD2 PHE A 71 -5.351 2.220 -4.280 1.00 1.46 C ATOM 1074 CE1 PHE A 71 -5.702 5.009 -4.405 1.00 4.15 C ATOM 1075 CE2 PHE A 71 -6.223 2.781 -5.232 1.00 1.88 C ATOM 1076 CZ PHE A 71 -6.397 4.174 -5.295 1.00 3.00 C ATOM 0 H PHE A 71 -1.830 1.504 -0.977 1.00 0.36 H new ATOM 0 HA PHE A 71 -2.184 1.823 -3.720 1.00 0.45 H new ATOM 0 HB2 PHE A 71 -4.012 1.441 -2.131 1.00 0.59 H new ATOM 0 HB3 PHE A 71 -3.770 3.031 -1.436 1.00 0.59 H new ATOM 0 HD1 PHE A 71 -4.310 5.087 -2.761 1.00 3.36 H new ATOM 0 HD2 PHE A 71 -5.216 1.149 -4.238 1.00 1.46 H new ATOM 0 HE1 PHE A 71 -5.831 6.080 -4.454 1.00 4.15 H new ATOM 0 HE2 PHE A 71 -6.759 2.139 -5.915 1.00 1.88 H new ATOM 0 HZ PHE A 71 -7.065 4.602 -6.028 1.00 3.00 H new ATOM 1086 N ARG A 72 -1.516 4.705 -2.177 1.00 0.37 N ATOM 1087 CA ARG A 72 -1.068 6.067 -2.459 1.00 0.38 C ATOM 1088 C ARG A 72 0.089 6.035 -3.458 1.00 0.39 C ATOM 1089 O ARG A 72 0.000 6.617 -4.537 1.00 0.46 O ATOM 1090 CB ARG A 72 -0.713 6.841 -1.172 1.00 0.40 C ATOM 1091 CG ARG A 72 -0.017 8.165 -1.533 1.00 0.48 C ATOM 1092 CD ARG A 72 0.166 9.112 -0.339 1.00 0.70 C ATOM 1093 NE ARG A 72 1.565 9.314 0.077 1.00 0.79 N ATOM 1094 CZ ARG A 72 2.631 9.666 -0.660 1.00 1.80 C ATOM 1095 NH1 ARG A 72 2.525 9.937 -1.960 1.00 3.73 N ATOM 1096 NH2 ARG A 72 3.832 9.741 -0.094 1.00 1.88 N ATOM 0 H ARG A 72 -1.607 4.481 -1.186 1.00 0.37 H new ATOM 0 HA ARG A 72 -1.894 6.615 -2.913 1.00 0.38 H new ATOM 0 HB2 ARG A 72 -1.617 7.040 -0.596 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.060 6.237 -0.542 1.00 0.40 H new ATOM 0 HG2 ARG A 72 0.960 7.946 -1.964 1.00 0.48 H new ATOM 0 HG3 ARG A 72 -0.599 8.673 -2.302 1.00 0.48 H new ATOM 0 HD2 ARG A 72 -0.268 10.080 -0.590 1.00 0.70 H new ATOM 0 HD3 ARG A 72 -0.398 8.721 0.508 1.00 0.70 H new ATOM 0 HE ARG A 72 1.751 9.165 1.069 1.00 0.79 H new ATOM 0 HH11 ARG A 72 1.617 9.880 -2.421 1.00 3.73 H new ATOM 0 HH12 ARG A 72 3.352 10.202 -2.495 1.00 3.73 H new ATOM 0 HH21 ARG A 72 3.942 9.531 0.898 1.00 1.88 H new ATOM 0 HH22 ARG A 72 4.643 10.008 -0.652 1.00 1.88 H new ATOM 1110 N LEU A 73 1.161 5.348 -3.088 1.00 0.34 N ATOM 1111 CA LEU A 73 2.397 5.270 -3.842 1.00 0.35 C ATOM 1112 C LEU A 73 2.175 4.593 -5.181 1.00 0.40 C ATOM 1113 O LEU A 73 2.887 4.880 -6.135 1.00 0.54 O ATOM 1114 CB LEU A 73 3.457 4.558 -3.014 1.00 0.32 C ATOM 1115 CG LEU A 73 3.917 5.236 -1.699 1.00 0.29 C ATOM 1116 CD1 LEU A 73 5.390 5.660 -1.763 1.00 0.48 C ATOM 1117 CD2 LEU A 73 3.148 6.481 -1.261 1.00 0.31 C ATOM 0 H LEU A 73 1.191 4.811 -2.221 1.00 0.34 H new ATOM 0 HA LEU A 73 2.751 6.279 -4.055 1.00 0.35 H new ATOM 0 HB2 LEU A 73 3.079 3.566 -2.766 1.00 0.32 H new ATOM 0 HB3 LEU A 73 4.335 4.416 -3.644 1.00 0.32 H new ATOM 0 HG LEU A 73 3.724 4.448 -0.971 1.00 0.29 H new ATOM 0 HD11 LEU A 73 5.674 6.131 -0.822 1.00 0.48 H new ATOM 0 HD12 LEU A 73 6.014 4.783 -1.932 1.00 0.48 H new ATOM 0 HD13 LEU A 73 5.530 6.368 -2.580 1.00 0.48 H new ATOM 0 HD21 LEU A 73 3.568 6.859 -0.329 1.00 0.31 H new ATOM 0 HD22 LEU A 73 3.228 7.248 -2.032 1.00 0.31 H new ATOM 0 HD23 LEU A 73 2.099 6.226 -1.110 1.00 0.31 H new ATOM 1129 N MET A 74 1.188 3.711 -5.275 1.00 0.40 N ATOM 1130 CA MET A 74 0.898 2.989 -6.496 1.00 0.48 C ATOM 1131 C MET A 74 0.350 3.913 -7.583 1.00 0.50 C ATOM 1132 O MET A 74 0.633 3.707 -8.767 1.00 0.54 O ATOM 1133 CB MET A 74 -0.059 1.835 -6.187 1.00 0.57 C ATOM 1134 CG MET A 74 -0.137 0.907 -7.385 1.00 1.10 C ATOM 1135 SD MET A 74 -1.471 1.257 -8.563 1.00 2.09 S ATOM 1136 CE MET A 74 -0.819 0.378 -10.006 1.00 2.62 C ATOM 0 H MET A 74 0.567 3.479 -4.500 1.00 0.40 H new ATOM 0 HA MET A 74 1.826 2.575 -6.891 1.00 0.48 H new ATOM 0 HB2 MET A 74 0.287 1.287 -5.311 1.00 0.57 H new ATOM 0 HB3 MET A 74 -1.049 2.224 -5.950 1.00 0.57 H new ATOM 0 HG2 MET A 74 0.813 0.949 -7.917 1.00 1.10 H new ATOM 0 HG3 MET A 74 -0.255 -0.115 -7.023 1.00 1.10 H new ATOM 0 HE1 MET A 74 -1.513 0.483 -10.840 1.00 2.62 H new ATOM 0 HE2 MET A 74 0.147 0.800 -10.283 1.00 2.62 H new ATOM 0 HE3 MET A 74 -0.698 -0.678 -9.765 1.00 2.62 H new ATOM 1146 N HIS A 75 -0.452 4.916 -7.212 1.00 0.55 N ATOM 1147 CA HIS A 75 -1.025 5.837 -8.190 1.00 0.64 C ATOM 1148 C HIS A 75 -0.194 7.100 -8.383 1.00 0.65 C ATOM 1149 O HIS A 75 -0.580 7.908 -9.227 1.00 0.95 O ATOM 1150 CB HIS A 75 -2.467 6.224 -7.838 1.00 0.76 C ATOM 1151 CG HIS A 75 -2.536 7.249 -6.739 1.00 0.84 C ATOM 1152 ND1 HIS A 75 -2.180 8.587 -6.852 1.00 0.95 N ATOM 1153 CD2 HIS A 75 -2.772 6.966 -5.429 1.00 1.01 C ATOM 1154 CE1 HIS A 75 -2.159 9.102 -5.607 1.00 1.16 C ATOM 1155 NE2 HIS A 75 -2.535 8.140 -4.744 1.00 1.20 N ATOM 0 H HIS A 75 -0.716 5.108 -6.246 1.00 0.55 H new ATOM 0 HA HIS A 75 -1.022 5.288 -9.132 1.00 0.64 H new ATOM 0 HB2 HIS A 75 -2.962 6.615 -8.727 1.00 0.76 H new ATOM 0 HB3 HIS A 75 -3.015 5.332 -7.534 1.00 0.76 H new ATOM 0 HD1 HIS A 75 -1.973 9.087 -7.717 1.00 0.95 H new ATOM 0 HD2 HIS A 75 -3.081 6.019 -5.012 1.00 1.01 H new ATOM 0 HE1 HIS A 75 -1.887 10.114 -5.346 1.00 1.16 H new ATOM 1164 N SER A 76 0.812 7.367 -7.540 1.00 0.60 N ATOM 1165 CA SER A 76 1.527 8.626 -7.485 1.00 0.62 C ATOM 1166 C SER A 76 1.769 9.218 -8.860 1.00 0.63 C ATOM 1167 O SER A 76 2.256 8.578 -9.788 1.00 0.56 O ATOM 1168 CB SER A 76 2.801 8.459 -6.669 1.00 0.64 C ATOM 1169 OG SER A 76 2.391 8.243 -5.341 1.00 1.01 O ATOM 0 H SER A 76 1.153 6.685 -6.862 1.00 0.60 H new ATOM 0 HA SER A 76 0.900 9.359 -6.976 1.00 0.62 H new ATOM 0 HB2 SER A 76 3.391 7.619 -7.036 1.00 0.64 H new ATOM 0 HB3 SER A 76 3.430 9.346 -6.743 1.00 0.64 H new ATOM 0 HG SER A 76 2.971 8.748 -4.733 1.00 1.01 H new ATOM 1175 N THR A 77 1.349 10.468 -8.972 1.00 0.83 N ATOM 1176 CA THR A 77 1.520 11.299 -10.147 1.00 0.98 C ATOM 1177 C THR A 77 2.994 11.311 -10.522 1.00 0.94 C ATOM 1178 O THR A 77 3.356 11.126 -11.683 1.00 1.00 O ATOM 1179 CB THR A 77 1.003 12.702 -9.817 1.00 1.19 C ATOM 1180 OG1 THR A 77 1.414 13.044 -8.505 1.00 1.23 O ATOM 1181 CG2 THR A 77 -0.524 12.722 -9.851 1.00 1.33 C ATOM 0 H THR A 77 0.861 10.948 -8.216 1.00 0.83 H new ATOM 0 HA THR A 77 0.959 10.916 -10.999 1.00 0.98 H new ATOM 0 HB THR A 77 1.399 13.406 -10.549 1.00 1.19 H new ATOM 0 HG1 THR A 77 1.089 13.942 -8.284 1.00 1.23 H new ATOM 0 HG21 THR A 77 -0.880 13.725 -9.615 1.00 1.33 H new ATOM 0 HG22 THR A 77 -0.870 12.439 -10.845 1.00 1.33 H new ATOM 0 HG23 THR A 77 -0.914 12.016 -9.117 1.00 1.33 H new ATOM 1189 N ASP A 78 3.848 11.471 -9.512 1.00 0.88 N ATOM 1190 CA ASP A 78 5.263 11.227 -9.689 1.00 0.87 C ATOM 1191 C ASP A 78 5.473 9.738 -9.970 1.00 0.72 C ATOM 1192 O ASP A 78 5.362 8.890 -9.082 1.00 0.57 O ATOM 1193 CB ASP A 78 6.052 11.682 -8.464 1.00 0.90 C ATOM 1194 CG ASP A 78 7.498 11.220 -8.595 1.00 1.06 C ATOM 1195 OD1 ASP A 78 7.964 11.130 -9.754 1.00 1.46 O ATOM 1196 OD2 ASP A 78 8.085 10.863 -7.554 1.00 2.37 O ATOM 0 H ASP A 78 3.580 11.766 -8.573 1.00 0.88 H new ATOM 0 HA ASP A 78 5.633 11.806 -10.535 1.00 0.87 H new ATOM 0 HB2 ASP A 78 6.012 12.768 -8.374 1.00 0.90 H new ATOM 0 HB3 ASP A 78 5.608 11.271 -7.558 1.00 0.90 H new ATOM 1201 N HIS A 79 5.797 9.419 -11.224 1.00 0.80 N ATOM 1202 CA HIS A 79 6.105 8.057 -11.628 1.00 0.69 C ATOM 1203 C HIS A 79 7.239 7.487 -10.778 1.00 0.61 C ATOM 1204 O HIS A 79 7.260 6.283 -10.531 1.00 0.53 O ATOM 1205 CB HIS A 79 6.435 7.983 -13.128 1.00 0.78 C ATOM 1206 CG HIS A 79 5.544 7.023 -13.876 1.00 2.00 C ATOM 1207 ND1 HIS A 79 4.671 7.354 -14.897 1.00 3.30 N ATOM 1208 CD2 HIS A 79 5.474 5.673 -13.673 1.00 3.60 C ATOM 1209 CE1 HIS A 79 4.085 6.213 -15.312 1.00 4.99 C ATOM 1210 NE2 HIS A 79 4.557 5.180 -14.582 1.00 5.19 N ATOM 0 H HIS A 79 5.852 10.099 -11.982 1.00 0.80 H new ATOM 0 HA HIS A 79 5.219 7.444 -11.460 1.00 0.69 H new ATOM 0 HB2 HIS A 79 6.339 8.977 -13.566 1.00 0.78 H new ATOM 0 HB3 HIS A 79 7.474 7.679 -13.252 1.00 0.78 H new ATOM 0 HD2 HIS A 79 6.028 5.102 -12.943 1.00 3.60 H new ATOM 0 HE1 HIS A 79 3.354 6.137 -16.103 1.00 4.99 H new ATOM 0 HE2 HIS A 79 4.284 4.203 -14.684 1.00 5.19 H new ATOM 1219 N ALA A 80 8.190 8.320 -10.352 1.00 0.68 N ATOM 1220 CA ALA A 80 9.299 7.858 -9.546 1.00 0.68 C ATOM 1221 C ALA A 80 8.793 7.271 -8.239 1.00 0.59 C ATOM 1222 O ALA A 80 9.202 6.169 -7.904 1.00 0.53 O ATOM 1223 CB ALA A 80 10.281 8.983 -9.263 1.00 0.84 C ATOM 0 H ALA A 80 8.206 9.319 -10.557 1.00 0.68 H new ATOM 0 HA ALA A 80 9.821 7.084 -10.109 1.00 0.68 H new ATOM 0 HB1 ALA A 80 11.103 8.604 -8.655 1.00 0.84 H new ATOM 0 HB2 ALA A 80 10.673 9.369 -10.204 1.00 0.84 H new ATOM 0 HB3 ALA A 80 9.772 9.784 -8.726 1.00 0.84 H new ATOM 1229 N GLU A 81 7.917 7.969 -7.503 1.00 0.61 N ATOM 1230 CA GLU A 81 7.359 7.490 -6.239 1.00 0.57 C ATOM 1231 C GLU A 81 6.896 6.047 -6.386 1.00 0.49 C ATOM 1232 O GLU A 81 7.171 5.193 -5.542 1.00 0.48 O ATOM 1233 CB GLU A 81 6.222 8.398 -5.722 1.00 0.59 C ATOM 1234 CG GLU A 81 6.587 9.078 -4.390 1.00 0.78 C ATOM 1235 CD GLU A 81 5.376 9.662 -3.642 1.00 1.65 C ATOM 1236 OE1 GLU A 81 4.320 9.915 -4.263 1.00 2.74 O ATOM 1237 OE2 GLU A 81 5.438 9.810 -2.402 1.00 2.59 O ATOM 0 H GLU A 81 7.575 8.891 -7.775 1.00 0.61 H new ATOM 0 HA GLU A 81 8.149 7.529 -5.489 1.00 0.57 H new ATOM 0 HB2 GLU A 81 5.999 9.160 -6.469 1.00 0.59 H new ATOM 0 HB3 GLU A 81 5.317 7.806 -5.590 1.00 0.59 H new ATOM 0 HG2 GLU A 81 7.085 8.353 -3.747 1.00 0.78 H new ATOM 0 HG3 GLU A 81 7.303 9.877 -4.584 1.00 0.78 H new ATOM 1244 N ARG A 82 6.247 5.761 -7.511 1.00 0.45 N ATOM 1245 CA ARG A 82 5.740 4.423 -7.764 1.00 0.37 C ATOM 1246 C ARG A 82 6.901 3.454 -7.882 1.00 0.34 C ATOM 1247 O ARG A 82 6.929 2.431 -7.211 1.00 0.32 O ATOM 1248 CB ARG A 82 4.947 4.388 -9.064 1.00 0.37 C ATOM 1249 CG ARG A 82 3.754 5.331 -9.007 1.00 0.45 C ATOM 1250 CD ARG A 82 3.325 5.688 -10.423 1.00 0.51 C ATOM 1251 NE ARG A 82 2.009 5.114 -10.716 1.00 0.64 N ATOM 1252 CZ ARG A 82 0.991 5.681 -11.367 1.00 1.71 C ATOM 1253 NH1 ARG A 82 1.066 6.939 -11.792 1.00 2.99 N ATOM 1254 NH2 ARG A 82 -0.112 4.962 -11.575 1.00 1.83 N ATOM 0 H ARG A 82 6.063 6.434 -8.255 1.00 0.45 H new ATOM 0 HA ARG A 82 5.091 4.140 -6.936 1.00 0.37 H new ATOM 0 HB2 ARG A 82 5.594 4.666 -9.895 1.00 0.37 H new ATOM 0 HB3 ARG A 82 4.602 3.372 -9.255 1.00 0.37 H new ATOM 0 HG2 ARG A 82 2.929 4.860 -8.473 1.00 0.45 H new ATOM 0 HG3 ARG A 82 4.016 6.234 -8.456 1.00 0.45 H new ATOM 0 HD2 ARG A 82 3.290 6.771 -10.537 1.00 0.51 H new ATOM 0 HD3 ARG A 82 4.059 5.315 -11.137 1.00 0.51 H new ATOM 0 HE ARG A 82 1.851 4.164 -10.381 1.00 0.64 H new ATOM 0 HH11 ARG A 82 1.910 7.485 -11.622 1.00 2.99 H new ATOM 0 HH12 ARG A 82 0.279 7.358 -12.288 1.00 2.99 H new ATOM 0 HH21 ARG A 82 -0.165 4.000 -11.239 1.00 1.83 H new ATOM 0 HH22 ARG A 82 -0.903 5.373 -12.070 1.00 1.83 H new ATOM 1268 N LEU A 83 7.856 3.750 -8.764 1.00 0.36 N ATOM 1269 CA LEU A 83 9.013 2.894 -8.957 1.00 0.39 C ATOM 1270 C LEU A 83 9.914 2.834 -7.729 1.00 0.46 C ATOM 1271 O LEU A 83 10.695 1.896 -7.640 1.00 0.50 O ATOM 1272 CB LEU A 83 9.832 3.291 -10.190 1.00 0.47 C ATOM 1273 CG LEU A 83 9.259 2.799 -11.527 1.00 0.48 C ATOM 1274 CD1 LEU A 83 8.642 1.400 -11.464 1.00 0.50 C ATOM 1275 CD2 LEU A 83 8.205 3.750 -12.093 1.00 0.45 C ATOM 0 H LEU A 83 7.845 4.581 -9.355 1.00 0.36 H new ATOM 0 HA LEU A 83 8.607 1.896 -9.122 1.00 0.39 H new ATOM 0 HB2 LEU A 83 9.911 4.378 -10.222 1.00 0.47 H new ATOM 0 HB3 LEU A 83 10.844 2.901 -10.078 1.00 0.47 H new ATOM 0 HG LEU A 83 10.130 2.765 -12.182 1.00 0.48 H new ATOM 0 HD11 LEU A 83 8.260 1.126 -12.448 1.00 0.50 H new ATOM 0 HD12 LEU A 83 9.401 0.681 -11.156 1.00 0.50 H new ATOM 0 HD13 LEU A 83 7.824 1.395 -10.743 1.00 0.50 H new ATOM 0 HD21 LEU A 83 7.831 3.357 -13.039 1.00 0.45 H new ATOM 0 HD22 LEU A 83 7.380 3.841 -11.386 1.00 0.45 H new ATOM 0 HD23 LEU A 83 8.651 4.731 -12.258 1.00 0.45 H new ATOM 1287 N LYS A 84 9.828 3.752 -6.763 1.00 0.51 N ATOM 1288 CA LYS A 84 10.518 3.527 -5.498 1.00 0.60 C ATOM 1289 C LYS A 84 9.834 2.361 -4.809 1.00 0.53 C ATOM 1290 O LYS A 84 10.508 1.437 -4.374 1.00 0.63 O ATOM 1291 CB LYS A 84 10.524 4.759 -4.581 1.00 0.70 C ATOM 1292 CG LYS A 84 11.704 5.712 -4.823 1.00 0.81 C ATOM 1293 CD LYS A 84 11.436 6.724 -5.942 1.00 1.11 C ATOM 1294 CE LYS A 84 12.495 7.834 -5.992 1.00 1.14 C ATOM 1295 NZ LYS A 84 12.473 8.695 -4.787 1.00 1.56 N ATOM 0 H LYS A 84 9.307 4.626 -6.829 1.00 0.51 H new ATOM 0 HA LYS A 84 11.566 3.313 -5.707 1.00 0.60 H new ATOM 0 HB2 LYS A 84 9.593 5.308 -4.721 1.00 0.70 H new ATOM 0 HB3 LYS A 84 10.546 4.427 -3.543 1.00 0.70 H new ATOM 0 HG2 LYS A 84 11.926 6.249 -3.901 1.00 0.81 H new ATOM 0 HG3 LYS A 84 12.590 5.128 -5.073 1.00 0.81 H new ATOM 0 HD2 LYS A 84 11.412 6.205 -6.900 1.00 1.11 H new ATOM 0 HD3 LYS A 84 10.452 7.170 -5.797 1.00 1.11 H new ATOM 0 HE2 LYS A 84 13.483 7.385 -6.095 1.00 1.14 H new ATOM 0 HE3 LYS A 84 12.330 8.449 -6.877 1.00 1.14 H new ATOM 0 HZ1 LYS A 84 13.014 9.564 -4.971 1.00 1.56 H new ATOM 0 HZ2 LYS A 84 11.490 8.942 -4.555 1.00 1.56 H new ATOM 0 HZ3 LYS A 84 12.900 8.184 -3.988 1.00 1.56 H new ATOM 1309 N VAL A 85 8.503 2.370 -4.727 1.00 0.40 N ATOM 1310 CA VAL A 85 7.792 1.237 -4.156 1.00 0.30 C ATOM 1311 C VAL A 85 8.125 -0.035 -4.904 1.00 0.29 C ATOM 1312 O VAL A 85 8.370 -1.045 -4.273 1.00 0.51 O ATOM 1313 CB VAL A 85 6.283 1.497 -4.101 1.00 0.28 C ATOM 1314 CG1 VAL A 85 5.459 0.311 -3.577 1.00 0.28 C ATOM 1315 CG2 VAL A 85 6.112 2.667 -3.143 1.00 0.42 C ATOM 0 H VAL A 85 7.909 3.136 -5.044 1.00 0.40 H new ATOM 0 HA VAL A 85 8.126 1.107 -3.127 1.00 0.30 H new ATOM 0 HB VAL A 85 5.920 1.684 -5.112 1.00 0.28 H new ATOM 0 HG11 VAL A 85 4.402 0.577 -3.570 1.00 0.28 H new ATOM 0 HG12 VAL A 85 5.611 -0.552 -4.225 1.00 0.28 H new ATOM 0 HG13 VAL A 85 5.778 0.065 -2.564 1.00 0.28 H new ATOM 0 HG21 VAL A 85 5.054 2.912 -3.053 1.00 0.42 H new ATOM 0 HG22 VAL A 85 6.507 2.396 -2.164 1.00 0.42 H new ATOM 0 HG23 VAL A 85 6.653 3.533 -3.526 1.00 0.42 H new ATOM 1325 N GLN A 86 8.128 -0.035 -6.230 1.00 0.30 N ATOM 1326 CA GLN A 86 8.285 -1.285 -6.948 1.00 0.30 C ATOM 1327 C GLN A 86 9.713 -1.814 -6.814 1.00 0.41 C ATOM 1328 O GLN A 86 9.916 -2.978 -6.491 1.00 0.48 O ATOM 1329 CB GLN A 86 7.901 -1.071 -8.425 1.00 0.37 C ATOM 1330 CG GLN A 86 6.857 -2.091 -8.900 1.00 0.70 C ATOM 1331 CD GLN A 86 7.251 -2.900 -10.133 1.00 1.14 C ATOM 1332 OE1 GLN A 86 8.393 -2.905 -10.574 1.00 1.75 O ATOM 1333 NE2 GLN A 86 6.296 -3.618 -10.709 1.00 1.77 N ATOM 0 H GLN A 86 8.026 0.795 -6.815 1.00 0.30 H new ATOM 0 HA GLN A 86 7.623 -2.036 -6.517 1.00 0.30 H new ATOM 0 HB2 GLN A 86 7.508 -0.063 -8.555 1.00 0.37 H new ATOM 0 HB3 GLN A 86 8.793 -1.149 -9.047 1.00 0.37 H new ATOM 0 HG2 GLN A 86 6.650 -2.782 -8.083 1.00 0.70 H new ATOM 0 HG3 GLN A 86 5.928 -1.563 -9.114 1.00 0.70 H new ATOM 0 HE21 GLN A 86 5.349 -3.604 -10.330 1.00 1.77 H new ATOM 0 HE22 GLN A 86 6.509 -4.184 -11.530 1.00 1.77 H new ATOM 1342 N LYS A 87 10.709 -0.960 -7.052 1.00 0.50 N ATOM 1343 CA LYS A 87 12.117 -1.289 -6.927 1.00 0.62 C ATOM 1344 C LYS A 87 12.418 -1.826 -5.533 1.00 0.68 C ATOM 1345 O LYS A 87 13.044 -2.872 -5.395 1.00 0.79 O ATOM 1346 CB LYS A 87 12.924 -0.024 -7.241 1.00 0.66 C ATOM 1347 CG LYS A 87 14.419 -0.284 -7.107 1.00 1.26 C ATOM 1348 CD LYS A 87 15.232 0.915 -7.599 1.00 1.31 C ATOM 1349 CE LYS A 87 16.558 0.356 -8.112 1.00 2.36 C ATOM 1350 NZ LYS A 87 17.481 1.417 -8.568 1.00 2.60 N ATOM 0 H LYS A 87 10.547 0.004 -7.344 1.00 0.50 H new ATOM 0 HA LYS A 87 12.394 -2.076 -7.629 1.00 0.62 H new ATOM 0 HB2 LYS A 87 12.699 0.314 -8.253 1.00 0.66 H new ATOM 0 HB3 LYS A 87 12.628 0.778 -6.564 1.00 0.66 H new ATOM 0 HG2 LYS A 87 14.664 -0.490 -6.065 1.00 1.26 H new ATOM 0 HG3 LYS A 87 14.690 -1.171 -7.680 1.00 1.26 H new ATOM 0 HD2 LYS A 87 14.702 1.445 -8.390 1.00 1.31 H new ATOM 0 HD3 LYS A 87 15.398 1.629 -6.792 1.00 1.31 H new ATOM 0 HE2 LYS A 87 17.036 -0.221 -7.320 1.00 2.36 H new ATOM 0 HE3 LYS A 87 16.365 -0.331 -8.935 1.00 2.36 H new ATOM 0 HZ1 LYS A 87 18.365 0.986 -8.906 1.00 2.60 H new ATOM 0 HZ2 LYS A 87 17.039 1.953 -9.342 1.00 2.60 H new ATOM 0 HZ3 LYS A 87 17.689 2.059 -7.777 1.00 2.60 H new ATOM 1364 N ASN A 88 12.005 -1.086 -4.506 1.00 0.65 N ATOM 1365 CA ASN A 88 12.220 -1.461 -3.118 1.00 0.70 C ATOM 1366 C ASN A 88 11.455 -2.741 -2.800 1.00 0.91 C ATOM 1367 O ASN A 88 11.962 -3.579 -2.064 1.00 1.54 O ATOM 1368 CB ASN A 88 11.755 -0.349 -2.164 1.00 0.72 C ATOM 1369 CG ASN A 88 12.600 0.920 -2.222 1.00 0.61 C ATOM 1370 OD1 ASN A 88 13.366 1.140 -3.156 1.00 0.92 O ATOM 1371 ND2 ASN A 88 12.488 1.781 -1.217 1.00 1.00 N ATOM 0 H ASN A 88 11.508 -0.203 -4.619 1.00 0.65 H new ATOM 0 HA ASN A 88 13.289 -1.620 -2.977 1.00 0.70 H new ATOM 0 HB2 ASN A 88 10.721 -0.094 -2.398 1.00 0.72 H new ATOM 0 HB3 ASN A 88 11.766 -0.733 -1.144 1.00 0.72 H new ATOM 0 HD21 ASN A 88 13.042 2.637 -1.215 1.00 1.00 H new ATOM 0 HD22 ASN A 88 11.848 1.586 -0.447 1.00 1.00 H new ATOM 1378 N ALA A 89 10.230 -2.849 -3.322 1.00 0.47 N ATOM 1379 CA ALA A 89 9.214 -3.808 -2.923 1.00 0.45 C ATOM 1380 C ALA A 89 8.498 -4.393 -4.141 1.00 0.41 C ATOM 1381 O ALA A 89 7.319 -4.108 -4.391 1.00 0.37 O ATOM 1382 CB ALA A 89 8.185 -3.126 -2.017 1.00 0.45 C ATOM 0 H ALA A 89 9.911 -2.236 -4.072 1.00 0.47 H new ATOM 0 HA ALA A 89 9.708 -4.618 -2.386 1.00 0.45 H new ATOM 0 HB1 ALA A 89 7.425 -3.849 -1.721 1.00 0.45 H new ATOM 0 HB2 ALA A 89 8.683 -2.738 -1.128 1.00 0.45 H new ATOM 0 HB3 ALA A 89 7.713 -2.305 -2.556 1.00 0.45 H new ATOM 1388 N PRO A 90 9.159 -5.288 -4.882 1.00 0.59 N ATOM 1389 CA PRO A 90 8.611 -5.835 -6.111 1.00 0.72 C ATOM 1390 C PRO A 90 7.344 -6.659 -5.856 1.00 0.92 C ATOM 1391 O PRO A 90 6.572 -6.903 -6.781 1.00 1.98 O ATOM 1392 CB PRO A 90 9.758 -6.633 -6.739 1.00 0.99 C ATOM 1393 CG PRO A 90 10.664 -6.979 -5.556 1.00 0.97 C ATOM 1394 CD PRO A 90 10.503 -5.776 -4.630 1.00 0.77 C ATOM 0 HA PRO A 90 8.270 -5.059 -6.797 1.00 0.72 H new ATOM 0 HB2 PRO A 90 9.393 -7.531 -7.237 1.00 0.99 H new ATOM 0 HB3 PRO A 90 10.288 -6.046 -7.489 1.00 0.99 H new ATOM 0 HG2 PRO A 90 10.356 -7.905 -5.070 1.00 0.97 H new ATOM 0 HG3 PRO A 90 11.700 -7.112 -5.868 1.00 0.97 H new ATOM 0 HD2 PRO A 90 10.630 -6.061 -3.586 1.00 0.77 H new ATOM 0 HD3 PRO A 90 11.248 -5.010 -4.844 1.00 0.77 H new ATOM 1402 N LYS A 91 7.095 -7.065 -4.604 1.00 0.53 N ATOM 1403 CA LYS A 91 5.936 -7.867 -4.242 1.00 0.51 C ATOM 1404 C LYS A 91 4.772 -7.012 -3.734 1.00 0.43 C ATOM 1405 O LYS A 91 3.624 -7.276 -4.080 1.00 0.55 O ATOM 1406 CB LYS A 91 6.364 -8.988 -3.280 1.00 0.61 C ATOM 1407 CG LYS A 91 6.909 -8.514 -1.922 1.00 1.25 C ATOM 1408 CD LYS A 91 7.475 -9.711 -1.140 1.00 1.62 C ATOM 1409 CE LYS A 91 7.618 -9.383 0.354 1.00 2.55 C ATOM 1410 NZ LYS A 91 7.489 -10.584 1.217 1.00 3.42 N ATOM 0 H LYS A 91 7.700 -6.841 -3.814 1.00 0.53 H new ATOM 0 HA LYS A 91 5.539 -8.347 -5.136 1.00 0.51 H new ATOM 0 HB2 LYS A 91 5.508 -9.639 -3.103 1.00 0.61 H new ATOM 0 HB3 LYS A 91 7.128 -9.592 -3.769 1.00 0.61 H new ATOM 0 HG2 LYS A 91 7.687 -7.766 -2.073 1.00 1.25 H new ATOM 0 HG3 LYS A 91 6.115 -8.036 -1.348 1.00 1.25 H new ATOM 0 HD2 LYS A 91 6.819 -10.573 -1.264 1.00 1.62 H new ATOM 0 HD3 LYS A 91 8.447 -9.989 -1.548 1.00 1.62 H new ATOM 0 HE2 LYS A 91 8.588 -8.917 0.529 1.00 2.55 H new ATOM 0 HE3 LYS A 91 6.859 -8.654 0.636 1.00 2.55 H new ATOM 0 HZ1 LYS A 91 7.389 -10.289 2.209 1.00 3.42 H new ATOM 0 HZ2 LYS A 91 6.650 -11.128 0.931 1.00 3.42 H new ATOM 0 HZ3 LYS A 91 8.337 -11.177 1.116 1.00 3.42 H new ATOM 1424 N THR A 92 5.021 -5.976 -2.933 1.00 0.33 N ATOM 1425 CA THR A 92 3.941 -5.139 -2.416 1.00 0.30 C ATOM 1426 C THR A 92 3.207 -4.447 -3.555 1.00 0.31 C ATOM 1427 O THR A 92 1.978 -4.426 -3.588 1.00 0.36 O ATOM 1428 CB THR A 92 4.514 -4.106 -1.450 1.00 0.24 C ATOM 1429 OG1 THR A 92 5.494 -4.740 -0.668 1.00 0.26 O ATOM 1430 CG2 THR A 92 3.456 -3.548 -0.500 1.00 0.26 C ATOM 0 H THR A 92 5.955 -5.698 -2.630 1.00 0.33 H new ATOM 0 HA THR A 92 3.227 -5.770 -1.886 1.00 0.30 H new ATOM 0 HB THR A 92 4.915 -3.281 -2.040 1.00 0.24 H new ATOM 0 HG1 THR A 92 5.074 -5.140 0.122 1.00 0.26 H new ATOM 0 HG21 THR A 92 3.914 -2.817 0.167 1.00 0.26 H new ATOM 0 HG22 THR A 92 2.666 -3.067 -1.077 1.00 0.26 H new ATOM 0 HG23 THR A 92 3.031 -4.361 0.089 1.00 0.26 H new ATOM 1438 N PHE A 93 3.952 -3.886 -4.507 1.00 0.31 N ATOM 1439 CA PHE A 93 3.313 -3.206 -5.624 1.00 0.36 C ATOM 1440 C PHE A 93 2.452 -4.159 -6.414 1.00 0.40 C ATOM 1441 O PHE A 93 1.323 -3.840 -6.781 1.00 0.44 O ATOM 1442 CB PHE A 93 4.367 -2.622 -6.550 1.00 0.41 C ATOM 1443 CG PHE A 93 3.878 -1.484 -7.428 1.00 0.59 C ATOM 1444 CD1 PHE A 93 3.160 -1.743 -8.611 1.00 1.60 C ATOM 1445 CD2 PHE A 93 4.171 -0.155 -7.073 1.00 1.71 C ATOM 1446 CE1 PHE A 93 2.757 -0.680 -9.439 1.00 1.68 C ATOM 1447 CE2 PHE A 93 3.764 0.907 -7.894 1.00 1.85 C ATOM 1448 CZ PHE A 93 3.064 0.646 -9.085 1.00 1.04 C ATOM 0 H PHE A 93 4.972 -3.889 -4.526 1.00 0.31 H new ATOM 0 HA PHE A 93 2.688 -2.411 -5.217 1.00 0.36 H new ATOM 0 HB2 PHE A 93 5.203 -2.265 -5.948 1.00 0.41 H new ATOM 0 HB3 PHE A 93 4.751 -3.417 -7.189 1.00 0.41 H new ATOM 0 HD1 PHE A 93 2.918 -2.760 -8.883 1.00 1.60 H new ATOM 0 HD2 PHE A 93 4.713 0.049 -6.162 1.00 1.71 H new ATOM 0 HE1 PHE A 93 2.211 -0.882 -10.348 1.00 1.68 H new ATOM 0 HE2 PHE A 93 3.988 1.925 -7.611 1.00 1.85 H new ATOM 0 HZ PHE A 93 2.763 1.461 -9.726 1.00 1.04 H new ATOM 1458 N GLN A 94 3.014 -5.333 -6.682 1.00 0.41 N ATOM 1459 CA GLN A 94 2.290 -6.366 -7.377 1.00 0.47 C ATOM 1460 C GLN A 94 0.966 -6.651 -6.664 1.00 0.49 C ATOM 1461 O GLN A 94 -0.041 -6.891 -7.324 1.00 0.59 O ATOM 1462 CB GLN A 94 3.166 -7.618 -7.509 1.00 0.55 C ATOM 1463 CG GLN A 94 2.348 -8.806 -8.013 1.00 1.24 C ATOM 1464 CD GLN A 94 3.239 -10.007 -8.306 1.00 1.26 C ATOM 1465 OE1 GLN A 94 3.702 -10.685 -7.398 1.00 1.89 O ATOM 1466 NE2 GLN A 94 3.500 -10.294 -9.575 1.00 1.36 N ATOM 0 H GLN A 94 3.969 -5.583 -6.424 1.00 0.41 H new ATOM 0 HA GLN A 94 2.046 -6.032 -8.386 1.00 0.47 H new ATOM 0 HB2 GLN A 94 3.989 -7.420 -8.196 1.00 0.55 H new ATOM 0 HB3 GLN A 94 3.609 -7.860 -6.543 1.00 0.55 H new ATOM 0 HG2 GLN A 94 1.601 -9.078 -7.268 1.00 1.24 H new ATOM 0 HG3 GLN A 94 1.808 -8.522 -8.916 1.00 1.24 H new ATOM 0 HE21 GLN A 94 3.106 -9.719 -10.319 1.00 1.36 H new ATOM 0 HE22 GLN A 94 4.095 -11.090 -9.806 1.00 1.36 H new ATOM 1475 N PHE A 95 0.958 -6.615 -5.329 1.00 0.46 N ATOM 1476 CA PHE A 95 -0.232 -6.917 -4.551 1.00 0.56 C ATOM 1477 C PHE A 95 -1.333 -5.923 -4.914 1.00 0.63 C ATOM 1478 O PHE A 95 -2.414 -6.325 -5.334 1.00 0.75 O ATOM 1479 CB PHE A 95 0.098 -6.902 -3.053 1.00 0.57 C ATOM 1480 CG PHE A 95 -0.931 -7.578 -2.169 1.00 0.78 C ATOM 1481 CD1 PHE A 95 -2.215 -7.022 -2.026 1.00 0.91 C ATOM 1482 CD2 PHE A 95 -0.593 -8.739 -1.451 1.00 0.98 C ATOM 1483 CE1 PHE A 95 -3.153 -7.619 -1.164 1.00 1.13 C ATOM 1484 CE2 PHE A 95 -1.521 -9.326 -0.573 1.00 1.21 C ATOM 1485 CZ PHE A 95 -2.801 -8.762 -0.428 1.00 1.25 C ATOM 0 H PHE A 95 1.774 -6.376 -4.766 1.00 0.46 H new ATOM 0 HA PHE A 95 -0.593 -7.918 -4.786 1.00 0.56 H new ATOM 0 HB2 PHE A 95 1.062 -7.389 -2.903 1.00 0.57 H new ATOM 0 HB3 PHE A 95 0.210 -5.867 -2.730 1.00 0.57 H new ATOM 0 HD1 PHE A 95 -2.482 -6.134 -2.580 1.00 0.91 H new ATOM 0 HD2 PHE A 95 0.384 -9.182 -1.575 1.00 0.98 H new ATOM 0 HE1 PHE A 95 -4.143 -7.199 -1.068 1.00 1.13 H new ATOM 0 HE2 PHE A 95 -1.251 -10.208 -0.011 1.00 1.21 H new ATOM 0 HZ PHE A 95 -3.514 -9.208 0.250 1.00 1.25 H new ATOM 1495 N ILE A 96 -1.072 -4.623 -4.764 1.00 0.61 N ATOM 1496 CA ILE A 96 -2.039 -3.591 -5.121 1.00 0.75 C ATOM 1497 C ILE A 96 -2.510 -3.785 -6.561 1.00 0.72 C ATOM 1498 O ILE A 96 -3.703 -3.683 -6.828 1.00 0.84 O ATOM 1499 CB ILE A 96 -1.442 -2.189 -4.901 1.00 0.84 C ATOM 1500 CG1 ILE A 96 -0.995 -1.933 -3.457 1.00 1.15 C ATOM 1501 CG2 ILE A 96 -2.427 -1.102 -5.353 1.00 0.95 C ATOM 1502 CD1 ILE A 96 -2.100 -2.258 -2.464 1.00 1.52 C ATOM 0 H ILE A 96 -0.192 -4.261 -4.395 1.00 0.61 H new ATOM 0 HA ILE A 96 -2.909 -3.680 -4.470 1.00 0.75 H new ATOM 0 HB ILE A 96 -0.543 -2.146 -5.516 1.00 0.84 H new ATOM 0 HG12 ILE A 96 -0.116 -2.538 -3.235 1.00 1.15 H new ATOM 0 HG13 ILE A 96 -0.700 -0.889 -3.346 1.00 1.15 H new ATOM 0 HG21 ILE A 96 -1.985 -0.119 -5.189 1.00 0.95 H new ATOM 0 HG22 ILE A 96 -2.647 -1.228 -6.413 1.00 0.95 H new ATOM 0 HG23 ILE A 96 -3.350 -1.185 -4.779 1.00 0.95 H new ATOM 0 HD11 ILE A 96 -1.747 -2.065 -1.451 1.00 1.52 H new ATOM 0 HD12 ILE A 96 -2.970 -1.634 -2.671 1.00 1.52 H new ATOM 0 HD13 ILE A 96 -2.376 -3.308 -2.558 1.00 1.52 H new ATOM 1514 N ASN A 97 -1.588 -4.062 -7.483 1.00 0.61 N ATOM 1515 CA ASN A 97 -1.906 -4.228 -8.894 1.00 0.62 C ATOM 1516 C ASN A 97 -2.850 -5.409 -9.134 1.00 0.69 C ATOM 1517 O ASN A 97 -3.626 -5.388 -10.082 1.00 0.76 O ATOM 1518 CB ASN A 97 -0.611 -4.396 -9.690 1.00 0.59 C ATOM 1519 CG ASN A 97 -0.869 -4.203 -11.176 1.00 0.76 C ATOM 1520 OD1 ASN A 97 -1.037 -3.076 -11.630 1.00 1.32 O ATOM 1521 ND2 ASN A 97 -0.868 -5.271 -11.960 1.00 1.48 N ATOM 0 H ASN A 97 -0.598 -4.177 -7.268 1.00 0.61 H new ATOM 0 HA ASN A 97 -2.429 -3.334 -9.234 1.00 0.62 H new ATOM 0 HB2 ASN A 97 0.130 -3.674 -9.347 1.00 0.59 H new ATOM 0 HB3 ASN A 97 -0.195 -5.388 -9.513 1.00 0.59 H new ATOM 0 HD21 ASN A 97 -1.009 -5.166 -12.965 1.00 1.48 H new ATOM 0 HD22 ASN A 97 -0.726 -6.198 -11.559 1.00 1.48 H new ATOM 1528 N ASP A 98 -2.774 -6.449 -8.302 1.00 0.72 N ATOM 1529 CA ASP A 98 -3.688 -7.585 -8.360 1.00 0.86 C ATOM 1530 C ASP A 98 -5.082 -7.165 -7.908 1.00 0.97 C ATOM 1531 O ASP A 98 -6.090 -7.568 -8.488 1.00 1.09 O ATOM 1532 CB ASP A 98 -3.185 -8.698 -7.437 1.00 0.85 C ATOM 1533 CG ASP A 98 -3.889 -10.023 -7.714 1.00 1.47 C ATOM 1534 OD1 ASP A 98 -3.917 -10.423 -8.900 1.00 2.16 O ATOM 1535 OD2 ASP A 98 -4.365 -10.626 -6.724 1.00 2.64 O ATOM 0 H ASP A 98 -2.072 -6.525 -7.566 1.00 0.72 H new ATOM 0 HA ASP A 98 -3.732 -7.943 -9.389 1.00 0.86 H new ATOM 0 HB2 ASP A 98 -2.110 -8.822 -7.569 1.00 0.85 H new ATOM 0 HB3 ASP A 98 -3.347 -8.410 -6.398 1.00 0.85 H new ATOM 1540 N GLN A 99 -5.133 -6.384 -6.824 1.00 0.96 N ATOM 1541 CA GLN A 99 -6.385 -6.039 -6.178 1.00 1.06 C ATOM 1542 C GLN A 99 -7.205 -5.086 -7.051 1.00 1.02 C ATOM 1543 O GLN A 99 -8.380 -5.329 -7.324 1.00 1.80 O ATOM 1544 CB GLN A 99 -6.126 -5.389 -4.807 1.00 1.34 C ATOM 1545 CG GLN A 99 -5.448 -6.319 -3.795 1.00 1.84 C ATOM 1546 CD GLN A 99 -6.297 -7.537 -3.455 1.00 2.10 C ATOM 1547 OE1 GLN A 99 -7.380 -7.412 -2.901 1.00 2.60 O ATOM 1548 NE2 GLN A 99 -5.821 -8.737 -3.763 1.00 2.96 N ATOM 0 H GLN A 99 -4.309 -5.980 -6.379 1.00 0.96 H new ATOM 0 HA GLN A 99 -6.951 -6.960 -6.035 1.00 1.06 H new ATOM 0 HB2 GLN A 99 -5.503 -4.505 -4.947 1.00 1.34 H new ATOM 0 HB3 GLN A 99 -7.075 -5.048 -4.393 1.00 1.34 H new ATOM 0 HG2 GLN A 99 -4.490 -6.650 -4.197 1.00 1.84 H new ATOM 0 HG3 GLN A 99 -5.236 -5.763 -2.882 1.00 1.84 H new ATOM 0 HE21 GLN A 99 -4.916 -8.823 -4.225 1.00 2.96 H new ATOM 0 HE22 GLN A 99 -6.360 -9.573 -3.538 1.00 2.96 H new ATOM 1557 N ILE A 100 -6.617 -3.948 -7.426 1.00 2.05 N ATOM 1558 CA ILE A 100 -7.332 -2.912 -8.153 1.00 2.11 C ATOM 1559 C ILE A 100 -7.619 -3.400 -9.573 1.00 1.80 C ATOM 1560 O ILE A 100 -6.723 -3.522 -10.402 1.00 3.33 O ATOM 1561 CB ILE A 100 -6.576 -1.570 -8.108 1.00 4.09 C ATOM 1562 CG1 ILE A 100 -5.167 -1.597 -8.736 1.00 4.85 C ATOM 1563 CG2 ILE A 100 -6.477 -1.105 -6.647 1.00 6.07 C ATOM 1564 CD1 ILE A 100 -5.115 -0.791 -10.037 1.00 5.21 C ATOM 0 H ILE A 100 -5.640 -3.725 -7.234 1.00 2.05 H new ATOM 0 HA ILE A 100 -8.290 -2.718 -7.671 1.00 2.11 H new ATOM 0 HB ILE A 100 -7.153 -0.876 -8.718 1.00 4.09 H new ATOM 0 HG12 ILE A 100 -4.444 -1.192 -8.027 1.00 4.85 H new ATOM 0 HG13 ILE A 100 -4.876 -2.629 -8.934 1.00 4.85 H new ATOM 0 HG21 ILE A 100 -5.943 -0.156 -6.603 1.00 6.07 H new ATOM 0 HG22 ILE A 100 -7.479 -0.978 -6.237 1.00 6.07 H new ATOM 0 HG23 ILE A 100 -5.938 -1.851 -6.063 1.00 6.07 H new ATOM 0 HD11 ILE A 100 -4.107 -0.833 -10.451 1.00 5.21 H new ATOM 0 HD12 ILE A 100 -5.819 -1.212 -10.754 1.00 5.21 H new ATOM 0 HD13 ILE A 100 -5.381 0.246 -9.833 1.00 5.21 H new ATOM 1576 N LYS A 101 -8.886 -3.694 -9.858 1.00 1.94 N ATOM 1577 CA LYS A 101 -9.293 -4.216 -11.154 1.00 3.63 C ATOM 1578 C LYS A 101 -10.677 -3.675 -11.483 1.00 3.75 C ATOM 1579 O LYS A 101 -10.819 -2.814 -12.342 1.00 4.48 O ATOM 1580 CB LYS A 101 -9.229 -5.749 -11.104 1.00 5.05 C ATOM 1581 CG LYS A 101 -9.558 -6.385 -12.459 1.00 6.34 C ATOM 1582 CD LYS A 101 -9.725 -7.902 -12.321 1.00 7.59 C ATOM 1583 CE LYS A 101 -8.443 -8.549 -11.783 1.00 8.27 C ATOM 1584 NZ LYS A 101 -8.581 -10.012 -11.635 1.00 9.56 N ATOM 0 H LYS A 101 -9.654 -3.576 -9.197 1.00 1.94 H new ATOM 0 HA LYS A 101 -8.627 -3.894 -11.955 1.00 3.63 H new ATOM 0 HB2 LYS A 101 -8.232 -6.060 -10.791 1.00 5.05 H new ATOM 0 HB3 LYS A 101 -9.928 -6.116 -10.353 1.00 5.05 H new ATOM 0 HG2 LYS A 101 -10.474 -5.948 -12.858 1.00 6.34 H new ATOM 0 HG3 LYS A 101 -8.763 -6.165 -13.172 1.00 6.34 H new ATOM 0 HD2 LYS A 101 -10.556 -8.120 -11.650 1.00 7.59 H new ATOM 0 HD3 LYS A 101 -9.975 -8.334 -13.290 1.00 7.59 H new ATOM 0 HE2 LYS A 101 -7.616 -8.329 -12.458 1.00 8.27 H new ATOM 0 HE3 LYS A 101 -8.193 -8.109 -10.818 1.00 8.27 H new ATOM 0 HZ1 LYS A 101 -7.692 -10.409 -11.269 1.00 9.56 H new ATOM 0 HZ2 LYS A 101 -9.354 -10.222 -10.971 1.00 9.56 H new ATOM 0 HZ3 LYS A 101 -8.794 -10.436 -12.560 1.00 9.56 H new ATOM 1598 N PHE A 102 -11.691 -4.152 -10.765 1.00 3.64 N ATOM 1599 CA PHE A 102 -13.048 -3.646 -10.846 1.00 3.97 C ATOM 1600 C PHE A 102 -13.596 -3.685 -9.430 1.00 3.55 C ATOM 1601 O PHE A 102 -13.848 -4.766 -8.904 1.00 3.69 O ATOM 1602 CB PHE A 102 -13.895 -4.521 -11.782 1.00 4.90 C ATOM 1603 CG PHE A 102 -14.008 -3.981 -13.192 1.00 5.31 C ATOM 1604 CD1 PHE A 102 -15.029 -3.067 -13.505 1.00 5.57 C ATOM 1605 CD2 PHE A 102 -13.104 -4.387 -14.191 1.00 6.15 C ATOM 1606 CE1 PHE A 102 -15.152 -2.564 -14.811 1.00 6.43 C ATOM 1607 CE2 PHE A 102 -13.226 -3.884 -15.497 1.00 6.93 C ATOM 1608 CZ PHE A 102 -14.250 -2.973 -15.809 1.00 6.99 C ATOM 0 H PHE A 102 -11.584 -4.917 -10.099 1.00 3.64 H new ATOM 0 HA PHE A 102 -13.073 -2.635 -11.252 1.00 3.97 H new ATOM 0 HB2 PHE A 102 -13.462 -5.520 -11.820 1.00 4.90 H new ATOM 0 HB3 PHE A 102 -14.895 -4.623 -11.361 1.00 4.90 H new ATOM 0 HD1 PHE A 102 -15.721 -2.750 -12.739 1.00 5.57 H new ATOM 0 HD2 PHE A 102 -12.316 -5.086 -13.954 1.00 6.15 H new ATOM 0 HE1 PHE A 102 -15.939 -1.864 -15.048 1.00 6.43 H new ATOM 0 HE2 PHE A 102 -12.532 -4.198 -16.263 1.00 6.93 H new ATOM 0 HZ PHE A 102 -14.344 -2.588 -16.814 1.00 6.99 H new ATOM 1618 N ILE A 103 -13.752 -2.525 -8.795 1.00 3.45 N ATOM 1619 CA ILE A 103 -14.389 -2.428 -7.502 1.00 3.19 C ATOM 1620 C ILE A 103 -15.073 -1.071 -7.401 1.00 2.98 C ATOM 1621 O ILE A 103 -14.611 -0.106 -8.008 1.00 3.44 O ATOM 1622 CB ILE A 103 -13.348 -2.696 -6.406 1.00 3.47 C ATOM 1623 CG1 ILE A 103 -14.021 -3.136 -5.101 1.00 3.49 C ATOM 1624 CG2 ILE A 103 -12.487 -1.463 -6.157 1.00 3.60 C ATOM 1625 CD1 ILE A 103 -14.560 -4.564 -5.196 1.00 4.80 C ATOM 0 H ILE A 103 -13.437 -1.631 -9.171 1.00 3.45 H new ATOM 0 HA ILE A 103 -15.166 -3.181 -7.369 1.00 3.19 H new ATOM 0 HB ILE A 103 -12.706 -3.505 -6.755 1.00 3.47 H new ATOM 0 HG12 ILE A 103 -13.304 -3.071 -4.282 1.00 3.49 H new ATOM 0 HG13 ILE A 103 -14.838 -2.454 -4.865 1.00 3.49 H new ATOM 0 HG21 ILE A 103 -11.758 -1.680 -5.376 1.00 3.60 H new ATOM 0 HG22 ILE A 103 -11.966 -1.192 -7.075 1.00 3.60 H new ATOM 0 HG23 ILE A 103 -13.121 -0.634 -5.841 1.00 3.60 H new ATOM 0 HD11 ILE A 103 -15.030 -4.839 -4.252 1.00 4.80 H new ATOM 0 HD12 ILE A 103 -15.296 -4.623 -5.998 1.00 4.80 H new ATOM 0 HD13 ILE A 103 -13.739 -5.250 -5.406 1.00 4.80 H new ATOM 1637 N ILE A 104 -16.176 -0.994 -6.658 1.00 3.05 N ATOM 1638 CA ILE A 104 -16.880 0.250 -6.402 1.00 3.19 C ATOM 1639 C ILE A 104 -17.572 0.058 -5.053 1.00 4.37 C ATOM 1640 O ILE A 104 -18.079 -1.029 -4.783 1.00 5.48 O ATOM 1641 CB ILE A 104 -17.831 0.536 -7.588 1.00 3.96 C ATOM 1642 CG1 ILE A 104 -18.132 2.035 -7.779 1.00 4.35 C ATOM 1643 CG2 ILE A 104 -19.110 -0.314 -7.570 1.00 5.42 C ATOM 1644 CD1 ILE A 104 -19.175 2.642 -6.836 1.00 5.21 C ATOM 0 H ILE A 104 -16.606 -1.806 -6.214 1.00 3.05 H new ATOM 0 HA ILE A 104 -16.238 1.128 -6.336 1.00 3.19 H new ATOM 0 HB ILE A 104 -17.274 0.220 -8.470 1.00 3.96 H new ATOM 0 HG12 ILE A 104 -17.201 2.589 -7.661 1.00 4.35 H new ATOM 0 HG13 ILE A 104 -18.467 2.189 -8.805 1.00 4.35 H new ATOM 0 HG21 ILE A 104 -19.728 -0.059 -8.431 1.00 5.42 H new ATOM 0 HG22 ILE A 104 -18.845 -1.371 -7.613 1.00 5.42 H new ATOM 0 HG23 ILE A 104 -19.665 -0.116 -6.653 1.00 5.42 H new ATOM 0 HD11 ILE A 104 -19.301 3.700 -7.066 1.00 5.21 H new ATOM 0 HD12 ILE A 104 -20.126 2.126 -6.965 1.00 5.21 H new ATOM 0 HD13 ILE A 104 -18.840 2.532 -5.804 1.00 5.21 H new ATOM 1656 N ASN A 105 -17.556 1.069 -4.184 1.00 5.01 N ATOM 1657 CA ASN A 105 -18.313 1.052 -2.941 1.00 6.77 C ATOM 1658 C ASN A 105 -18.662 2.496 -2.582 1.00 7.18 C ATOM 1659 O ASN A 105 -18.025 3.416 -3.101 1.00 6.52 O ATOM 1660 CB ASN A 105 -17.496 0.388 -1.824 1.00 8.07 C ATOM 1661 CG ASN A 105 -18.378 0.161 -0.604 1.00 9.85 C ATOM 1662 OD1 ASN A 105 -19.547 -0.165 -0.754 1.00 10.31 O ATOM 1663 ND2 ASN A 105 -17.859 0.341 0.601 1.00 11.22 N ATOM 0 H ASN A 105 -17.016 1.922 -4.326 1.00 5.01 H new ATOM 0 HA ASN A 105 -19.227 0.471 -3.061 1.00 6.77 H new ATOM 0 HB2 ASN A 105 -17.091 -0.562 -2.173 1.00 8.07 H new ATOM 0 HB3 ASN A 105 -16.647 1.018 -1.558 1.00 8.07 H new ATOM 0 HD21 ASN A 105 -18.437 0.208 1.431 1.00 11.22 H new ATOM 0 HD22 ASN A 105 -16.881 0.613 0.700 1.00 11.22 H new ATOM 1670 N SER A 106 -19.660 2.719 -1.730 1.00 8.70 N ATOM 1671 CA SER A 106 -20.046 4.037 -1.241 1.00 9.57 C ATOM 1672 C SER A 106 -20.710 3.875 0.121 1.00 11.10 C ATOM 1673 O SER A 106 -21.009 4.924 0.725 1.00 11.86 O ATOM 1674 CB SER A 106 -21.026 4.704 -2.207 1.00 9.75 C ATOM 1675 OG SER A 106 -20.412 4.951 -3.459 1.00 9.27 O ATOM 1676 OXT SER A 106 -20.912 2.706 0.516 1.00 11.73 O ATOM 0 H SER A 106 -20.237 1.967 -1.352 1.00 8.70 H new ATOM 0 HA SER A 106 -19.159 4.665 -1.161 1.00 9.57 H new ATOM 0 HB2 SER A 106 -21.898 4.065 -2.345 1.00 9.75 H new ATOM 0 HB3 SER A 106 -21.382 5.642 -1.781 1.00 9.75 H new ATOM 0 HG SER A 106 -19.495 4.604 -3.448 1.00 9.27 H new TER 1682 SER A 106