USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 922 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 33 GLN : amide:sc= 0.694 K(o=1.8,f=-4!) USER MOD Set 1.2: A 59 TYR OH : rot 172:sc= 1.06 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 57:sc= 0.683 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 43:sc= 0.319 USER MOD Single : A 9 GLN : amide:sc= -0.265 K(o=-0.26,f=-2.3!) USER MOD Single : A 10 MET CE :methyl -130:sc= -7.09! (180deg=-11.9!) USER MOD Single : A 13 MET CE :methyl -139:sc= -6.29! (180deg=-8.11!) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.365 USER MOD Single : A 17 LYS NZ :NH3+ -130:sc= -0.974 (180deg=-2.03!) USER MOD Single : A 18 GLN : amide:sc= -5.9! C(o=-5.9!,f=-17!) USER MOD Single : A 20 MET CE :methyl 162:sc= -4.8! (180deg=-6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.2) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 165:sc= 0 USER MOD Single : A 37 CYS SG : rot 122:sc= -6.77! USER MOD Single : A 43 SER OG : rot -56:sc= 1.2 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.029 F(o=-1.6,f=-0.029) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 71 GLN : amide:sc= -0.295 K(o=-0.29,f=-2.4!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 163:sc= 1.3 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0893 X(o=-0.089,f=-0.36) USER MOD Single : A 86 LYS NZ :NH3+ -158:sc= 1.12 (180deg=0.711) USER MOD Single : A 90 GLN : amide:sc= 0.184 K(o=0.18,f=-7.3!) USER MOD Single : A 93 LYS NZ :NH3+ 149:sc= -0.522 (180deg=-2.06!) USER MOD Single : A 95 TYR OH : rot 30:sc= -1.34 USER MOD Single : A 98 GLN : amide:sc= -0.06 K(o=-0.06,f=-1.4!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 167:sc= -2.57! (180deg=-3.38!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 1.11 K(o=1.1,f=-0.35) USER MOD Single : A 118 SER OG : rot 111:sc= 0.472 USER MOD Single : A 121 SER OG : rot 52:sc= 0.231 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.366 -22.982 -13.463 1.00 0.00 N ATOM 2 CA GLY A 1 -9.611 -24.107 -13.987 1.00 0.00 C ATOM 3 C GLY A 1 -9.183 -25.051 -12.862 1.00 0.00 C ATOM 4 O GLY A 1 -10.005 -25.785 -12.316 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.645 -22.356 -14.246 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.218 -23.331 -12.978 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.777 -22.452 -12.789 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.217 -24.650 -14.712 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.730 -23.744 -14.517 1.00 0.00 H new ATOM 8 N SER A 2 -7.896 -25.002 -12.548 1.00 0.00 N ATOM 9 CA SER A 2 -7.349 -25.843 -11.498 1.00 0.00 C ATOM 10 C SER A 2 -6.771 -24.975 -10.379 1.00 0.00 C ATOM 11 O SER A 2 -5.681 -24.423 -10.517 1.00 0.00 O ATOM 12 CB SER A 2 -6.275 -26.783 -12.049 1.00 0.00 C ATOM 13 OG SER A 2 -6.794 -28.080 -12.333 1.00 0.00 O ATOM 0 H SER A 2 -7.217 -24.392 -13.003 1.00 0.00 H new ATOM 0 HA SER A 2 -8.156 -26.454 -11.094 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.851 -26.356 -12.958 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.463 -26.868 -11.327 1.00 0.00 H new ATOM 0 HG SER A 2 -6.078 -28.649 -12.684 1.00 0.00 H new ATOM 19 N SER A 3 -7.528 -24.881 -9.295 1.00 0.00 N ATOM 20 CA SER A 3 -7.105 -24.089 -8.153 1.00 0.00 C ATOM 21 C SER A 3 -8.157 -24.164 -7.045 1.00 0.00 C ATOM 22 O SER A 3 -9.270 -24.638 -7.272 1.00 0.00 O ATOM 23 CB SER A 3 -6.858 -22.633 -8.553 1.00 0.00 C ATOM 24 OG SER A 3 -5.471 -22.352 -8.716 1.00 0.00 O ATOM 0 H SER A 3 -8.432 -25.341 -9.184 1.00 0.00 H new ATOM 0 HA SER A 3 -6.166 -24.500 -7.782 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.383 -22.419 -9.484 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.275 -21.972 -7.793 1.00 0.00 H new ATOM 0 HG SER A 3 -5.089 -22.964 -9.379 1.00 0.00 H new ATOM 30 N GLY A 4 -7.769 -23.689 -5.871 1.00 0.00 N ATOM 31 CA GLY A 4 -8.666 -23.696 -4.728 1.00 0.00 C ATOM 32 C GLY A 4 -8.841 -22.287 -4.159 1.00 0.00 C ATOM 33 O GLY A 4 -7.954 -21.444 -4.294 1.00 0.00 O ATOM 0 H GLY A 4 -6.846 -23.297 -5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.636 -24.095 -5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.272 -24.357 -3.956 1.00 0.00 H new ATOM 37 N SER A 5 -9.990 -22.073 -3.535 1.00 0.00 N ATOM 38 CA SER A 5 -10.292 -20.780 -2.945 1.00 0.00 C ATOM 39 C SER A 5 -9.647 -20.671 -1.562 1.00 0.00 C ATOM 40 O SER A 5 -10.047 -21.368 -0.631 1.00 0.00 O ATOM 41 CB SER A 5 -11.803 -20.560 -2.845 1.00 0.00 C ATOM 42 OG SER A 5 -12.308 -19.810 -3.946 1.00 0.00 O ATOM 0 H SER A 5 -10.723 -22.774 -3.425 1.00 0.00 H new ATOM 0 HA SER A 5 -9.881 -20.005 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.308 -21.525 -2.802 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.033 -20.039 -1.916 1.00 0.00 H new ATOM 0 HG SER A 5 -13.276 -19.693 -3.846 1.00 0.00 H new ATOM 48 N SER A 6 -8.660 -19.792 -1.473 1.00 0.00 N ATOM 49 CA SER A 6 -7.955 -19.584 -0.219 1.00 0.00 C ATOM 50 C SER A 6 -6.809 -18.590 -0.422 1.00 0.00 C ATOM 51 O SER A 6 -5.827 -18.899 -1.094 1.00 0.00 O ATOM 52 CB SER A 6 -7.420 -20.904 0.339 1.00 0.00 C ATOM 53 OG SER A 6 -6.636 -21.610 -0.619 1.00 0.00 O ATOM 0 H SER A 6 -8.332 -19.216 -2.248 1.00 0.00 H new ATOM 0 HA SER A 6 -8.659 -19.175 0.505 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.817 -20.705 1.225 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.255 -21.529 0.655 1.00 0.00 H new ATOM 0 HG SER A 6 -6.040 -20.983 -1.080 1.00 0.00 H new ATOM 59 N GLY A 7 -6.973 -17.418 0.173 1.00 0.00 N ATOM 60 CA GLY A 7 -5.965 -16.377 0.066 1.00 0.00 C ATOM 61 C GLY A 7 -6.355 -15.149 0.891 1.00 0.00 C ATOM 62 O GLY A 7 -7.496 -15.031 1.333 1.00 0.00 O ATOM 0 H GLY A 7 -7.789 -17.166 0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.004 -16.760 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.840 -16.093 -0.979 1.00 0.00 H new ATOM 66 N GLU A 8 -5.384 -14.266 1.073 1.00 0.00 N ATOM 67 CA GLU A 8 -5.611 -13.051 1.837 1.00 0.00 C ATOM 68 C GLU A 8 -5.693 -11.843 0.902 1.00 0.00 C ATOM 69 O GLU A 8 -4.796 -11.621 0.090 1.00 0.00 O ATOM 70 CB GLU A 8 -4.521 -12.855 2.892 1.00 0.00 C ATOM 71 CG GLU A 8 -4.711 -13.820 4.064 1.00 0.00 C ATOM 72 CD GLU A 8 -3.984 -15.142 3.809 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.242 -15.735 2.740 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.185 -15.529 4.689 1.00 0.00 O ATOM 0 H GLU A 8 -4.438 -14.368 0.705 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.563 -13.146 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.541 -13.013 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.542 -11.828 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.334 -13.364 4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.774 -14.009 4.216 1.00 0.00 H new ATOM 81 N GLN A 9 -6.776 -11.094 1.047 1.00 0.00 N ATOM 82 CA GLN A 9 -6.987 -9.915 0.225 1.00 0.00 C ATOM 83 C GLN A 9 -7.164 -8.678 1.108 1.00 0.00 C ATOM 84 O GLN A 9 -7.660 -8.776 2.229 1.00 0.00 O ATOM 85 CB GLN A 9 -8.187 -10.101 -0.705 1.00 0.00 C ATOM 86 CG GLN A 9 -9.451 -10.431 0.091 1.00 0.00 C ATOM 87 CD GLN A 9 -9.813 -11.912 -0.042 1.00 0.00 C ATOM 88 OE1 GLN A 9 -9.443 -12.585 -0.990 1.00 0.00 O ATOM 89 NE2 GLN A 9 -10.554 -12.380 0.958 1.00 0.00 N ATOM 0 H GLN A 9 -7.517 -11.281 1.722 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.106 -9.769 -0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.346 -9.193 -1.286 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.981 -10.902 -1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.298 -10.183 1.141 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.279 -9.817 -0.264 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.829 -11.762 1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.847 -13.357 0.962 1.00 0.00 H new ATOM 98 N MET A 10 -6.748 -7.541 0.568 1.00 0.00 N ATOM 99 CA MET A 10 -6.854 -6.286 1.293 1.00 0.00 C ATOM 100 C MET A 10 -6.910 -5.099 0.329 1.00 0.00 C ATOM 101 O MET A 10 -6.068 -4.976 -0.559 1.00 0.00 O ATOM 102 CB MET A 10 -5.651 -6.131 2.225 1.00 0.00 C ATOM 103 CG MET A 10 -5.668 -4.768 2.919 1.00 0.00 C ATOM 104 SD MET A 10 -5.077 -4.929 4.596 1.00 0.00 S ATOM 105 CE MET A 10 -5.414 -3.284 5.203 1.00 0.00 C ATOM 0 H MET A 10 -6.337 -7.463 -0.362 1.00 0.00 H new ATOM 0 HA MET A 10 -7.776 -6.301 1.875 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.661 -6.924 2.973 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.728 -6.242 1.655 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.043 -4.064 2.370 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.680 -4.363 2.919 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.522 -2.885 5.687 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.694 -2.639 4.370 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.231 -3.322 5.923 1.00 0.00 H new ATOM 115 N GLU A 11 -7.910 -4.256 0.536 1.00 0.00 N ATOM 116 CA GLU A 11 -8.087 -3.083 -0.303 1.00 0.00 C ATOM 117 C GLU A 11 -8.619 -1.912 0.525 1.00 0.00 C ATOM 118 O GLU A 11 -9.667 -2.023 1.160 1.00 0.00 O ATOM 119 CB GLU A 11 -9.013 -3.387 -1.482 1.00 0.00 C ATOM 120 CG GLU A 11 -10.318 -4.027 -1.003 1.00 0.00 C ATOM 121 CD GLU A 11 -11.345 -4.092 -2.136 1.00 0.00 C ATOM 122 OE1 GLU A 11 -10.947 -4.525 -3.238 1.00 0.00 O ATOM 123 OE2 GLU A 11 -12.505 -3.707 -1.873 1.00 0.00 O ATOM 0 H GLU A 11 -8.607 -4.362 1.273 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.116 -2.802 -0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.232 -2.467 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.511 -4.056 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.119 -5.032 -0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.725 -3.453 -0.171 1.00 0.00 H new ATOM 130 N GLY A 12 -7.874 -0.818 0.492 1.00 0.00 N ATOM 131 CA GLY A 12 -8.258 0.372 1.232 1.00 0.00 C ATOM 132 C GLY A 12 -7.438 1.584 0.785 1.00 0.00 C ATOM 133 O GLY A 12 -6.374 1.432 0.188 1.00 0.00 O ATOM 0 H GLY A 12 -7.006 -0.730 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.319 0.571 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.113 0.204 2.299 1.00 0.00 H new ATOM 137 N MET A 13 -7.965 2.761 1.092 1.00 0.00 N ATOM 138 CA MET A 13 -7.295 3.998 0.730 1.00 0.00 C ATOM 139 C MET A 13 -5.900 4.070 1.354 1.00 0.00 C ATOM 140 O MET A 13 -5.752 3.949 2.569 1.00 0.00 O ATOM 141 CB MET A 13 -8.129 5.189 1.206 1.00 0.00 C ATOM 142 CG MET A 13 -9.015 5.724 0.080 1.00 0.00 C ATOM 143 SD MET A 13 -8.119 6.934 -0.880 1.00 0.00 S ATOM 144 CE MET A 13 -8.177 6.159 -2.487 1.00 0.00 C ATOM 0 H MET A 13 -8.848 2.883 1.587 1.00 0.00 H new ATOM 0 HA MET A 13 -7.189 4.027 -0.354 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.750 4.888 2.050 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.469 5.980 1.561 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.336 4.904 -0.562 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.916 6.174 0.497 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.212 6.273 -2.981 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.403 5.099 -2.372 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.952 6.632 -3.091 1.00 0.00 H new ATOM 154 N LEU A 14 -4.911 4.265 0.494 1.00 0.00 N ATOM 155 CA LEU A 14 -3.533 4.354 0.946 1.00 0.00 C ATOM 156 C LEU A 14 -2.786 5.380 0.091 1.00 0.00 C ATOM 157 O LEU A 14 -3.153 5.621 -1.058 1.00 0.00 O ATOM 158 CB LEU A 14 -2.881 2.970 0.954 1.00 0.00 C ATOM 159 CG LEU A 14 -2.554 2.391 2.332 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.803 2.339 3.215 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.883 1.022 2.207 1.00 0.00 C ATOM 0 H LEU A 14 -5.037 4.364 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.492 4.706 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.543 2.275 0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.959 3.021 0.375 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.841 3.055 2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.543 1.924 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.199 3.346 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.557 1.710 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.661 0.633 3.201 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.552 0.335 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.957 1.121 1.641 1.00 0.00 H new ATOM 173 N CYS A 15 -1.751 5.956 0.685 1.00 0.00 N ATOM 174 CA CYS A 15 -0.949 6.951 -0.008 1.00 0.00 C ATOM 175 C CYS A 15 0.279 6.253 -0.596 1.00 0.00 C ATOM 176 O CYS A 15 1.275 6.053 0.096 1.00 0.00 O ATOM 177 CB CYS A 15 -0.560 8.107 0.916 1.00 0.00 C ATOM 178 SG CYS A 15 -0.773 9.702 0.045 1.00 0.00 S ATOM 0 H CYS A 15 -1.449 5.753 1.638 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.533 7.396 -0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.177 8.089 1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.475 7.994 1.238 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.442 10.677 0.838 1.00 0.00 H new ATOM 184 N ARG A 16 0.166 5.900 -1.869 1.00 0.00 N ATOM 185 CA ARG A 16 1.255 5.229 -2.558 1.00 0.00 C ATOM 186 C ARG A 16 2.211 6.256 -3.167 1.00 0.00 C ATOM 187 O ARG A 16 1.867 6.935 -4.133 1.00 0.00 O ATOM 188 CB ARG A 16 0.725 4.317 -3.666 1.00 0.00 C ATOM 189 CG ARG A 16 1.873 3.608 -4.389 1.00 0.00 C ATOM 190 CD ARG A 16 1.661 3.626 -5.904 1.00 0.00 C ATOM 191 NE ARG A 16 1.952 4.974 -6.440 1.00 0.00 N ATOM 192 CZ ARG A 16 1.462 5.446 -7.595 1.00 0.00 C ATOM 193 NH1 ARG A 16 0.654 4.681 -8.342 1.00 0.00 N ATOM 194 NH2 ARG A 16 1.781 6.682 -8.003 1.00 0.00 N ATOM 0 H ARG A 16 -0.663 6.066 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 16 1.787 4.622 -1.826 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.047 3.578 -3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.148 4.904 -4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.817 4.095 -4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.946 2.578 -4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.309 2.889 -6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.634 3.346 -6.139 1.00 0.00 H new ATOM 0 HE ARG A 16 2.564 5.583 -5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.412 3.740 -8.032 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.281 5.040 -9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.397 7.264 -7.435 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.408 7.041 -8.882 1.00 0.00 H new ATOM 208 N LYS A 17 3.395 6.337 -2.576 1.00 0.00 N ATOM 209 CA LYS A 17 4.404 7.270 -3.048 1.00 0.00 C ATOM 210 C LYS A 17 5.617 6.489 -3.557 1.00 0.00 C ATOM 211 O LYS A 17 6.447 6.041 -2.768 1.00 0.00 O ATOM 212 CB LYS A 17 4.742 8.290 -1.959 1.00 0.00 C ATOM 213 CG LYS A 17 5.676 9.377 -2.496 1.00 0.00 C ATOM 214 CD LYS A 17 6.759 9.724 -1.473 1.00 0.00 C ATOM 215 CE LYS A 17 8.115 9.154 -1.895 1.00 0.00 C ATOM 216 NZ LYS A 17 9.198 10.117 -1.593 1.00 0.00 N ATOM 0 H LYS A 17 3.677 5.772 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 17 4.023 7.850 -3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.825 8.746 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.213 7.785 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.141 9.037 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.100 10.270 -2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.832 10.807 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.482 9.328 -0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.300 8.215 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.106 8.930 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.793 10.246 -2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.784 11.031 -1.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.779 9.752 -0.812 1.00 0.00 H new ATOM 230 N GLN A 18 5.680 6.348 -4.873 1.00 0.00 N ATOM 231 CA GLN A 18 6.778 5.628 -5.496 1.00 0.00 C ATOM 232 C GLN A 18 8.112 6.297 -5.158 1.00 0.00 C ATOM 233 O GLN A 18 8.203 7.523 -5.119 1.00 0.00 O ATOM 234 CB GLN A 18 6.581 5.533 -7.011 1.00 0.00 C ATOM 235 CG GLN A 18 7.853 5.033 -7.699 1.00 0.00 C ATOM 236 CD GLN A 18 8.256 3.655 -7.170 1.00 0.00 C ATOM 237 OE1 GLN A 18 8.252 3.393 -5.979 1.00 0.00 O ATOM 238 NE2 GLN A 18 8.604 2.792 -8.120 1.00 0.00 N ATOM 0 H GLN A 18 4.989 6.720 -5.525 1.00 0.00 H new ATOM 0 HA GLN A 18 6.792 4.613 -5.099 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.754 4.858 -7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.309 6.511 -7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.692 4.980 -8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.664 5.742 -7.532 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.585 3.077 -9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.890 1.845 -7.869 1.00 0.00 H new ATOM 247 N GLU A 19 9.112 5.462 -4.921 1.00 0.00 N ATOM 248 CA GLU A 19 10.437 5.957 -4.587 1.00 0.00 C ATOM 249 C GLU A 19 11.479 5.374 -5.544 1.00 0.00 C ATOM 250 O GLU A 19 12.231 6.115 -6.175 1.00 0.00 O ATOM 251 CB GLU A 19 10.790 5.639 -3.132 1.00 0.00 C ATOM 252 CG GLU A 19 9.943 6.472 -2.168 1.00 0.00 C ATOM 253 CD GLU A 19 10.750 7.641 -1.599 1.00 0.00 C ATOM 254 OE1 GLU A 19 11.479 8.269 -2.397 1.00 0.00 O ATOM 255 OE2 GLU A 19 10.620 7.879 -0.379 1.00 0.00 O ATOM 0 H GLU A 19 9.032 4.446 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 19 10.437 7.041 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.630 4.578 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.847 5.839 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.063 6.852 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.586 5.841 -1.354 1.00 0.00 H new ATOM 262 N MET A 20 11.489 4.051 -5.621 1.00 0.00 N ATOM 263 CA MET A 20 12.426 3.360 -6.491 1.00 0.00 C ATOM 264 C MET A 20 11.688 2.503 -7.521 1.00 0.00 C ATOM 265 O MET A 20 10.710 1.835 -7.191 1.00 0.00 O ATOM 266 CB MET A 20 13.343 2.470 -5.649 1.00 0.00 C ATOM 267 CG MET A 20 14.109 3.297 -4.613 1.00 0.00 C ATOM 268 SD MET A 20 15.846 2.891 -4.672 1.00 0.00 S ATOM 269 CE MET A 20 16.190 3.248 -6.387 1.00 0.00 C ATOM 0 H MET A 20 10.864 3.440 -5.096 1.00 0.00 H new ATOM 0 HA MET A 20 13.017 4.106 -7.023 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.751 1.706 -5.145 1.00 0.00 H new ATOM 0 HB3 MET A 20 14.048 1.950 -6.298 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.969 4.360 -4.808 1.00 0.00 H new ATOM 0 HG3 MET A 20 13.715 3.101 -3.616 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.265 3.360 -6.527 1.00 0.00 H new ATOM 0 HE2 MET A 20 15.826 2.430 -7.009 1.00 0.00 H new ATOM 0 HE3 MET A 20 15.689 4.172 -6.674 1.00 0.00 H new ATOM 279 N GLU A 21 12.186 2.549 -8.748 1.00 0.00 N ATOM 280 CA GLU A 21 11.586 1.785 -9.829 1.00 0.00 C ATOM 281 C GLU A 21 12.396 0.515 -10.094 1.00 0.00 C ATOM 282 O GLU A 21 11.958 -0.361 -10.838 1.00 0.00 O ATOM 283 CB GLU A 21 11.464 2.632 -11.097 1.00 0.00 C ATOM 284 CG GLU A 21 11.287 1.747 -12.332 1.00 0.00 C ATOM 285 CD GLU A 21 10.671 2.537 -13.489 1.00 0.00 C ATOM 286 OE1 GLU A 21 11.458 3.157 -14.236 1.00 0.00 O ATOM 287 OE2 GLU A 21 9.426 2.503 -13.600 1.00 0.00 O ATOM 0 H GLU A 21 12.998 3.104 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 21 10.580 1.495 -9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.615 3.309 -11.006 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.354 3.250 -11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.253 1.343 -12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.649 0.898 -12.087 1.00 0.00 H new ATOM 294 N ALA A 22 13.563 0.455 -9.470 1.00 0.00 N ATOM 295 CA ALA A 22 14.439 -0.694 -9.629 1.00 0.00 C ATOM 296 C ALA A 22 15.730 -0.459 -8.843 1.00 0.00 C ATOM 297 O ALA A 22 16.010 0.663 -8.423 1.00 0.00 O ATOM 298 CB ALA A 22 14.698 -0.936 -11.118 1.00 0.00 C ATOM 0 H ALA A 22 13.923 1.183 -8.853 1.00 0.00 H new ATOM 0 HA ALA A 22 13.970 -1.593 -9.229 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.355 -1.798 -11.238 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.752 -1.127 -11.625 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.171 -0.056 -11.553 1.00 0.00 H new ATOM 304 N PHE A 23 16.482 -1.535 -8.667 1.00 0.00 N ATOM 305 CA PHE A 23 17.737 -1.460 -7.938 1.00 0.00 C ATOM 306 C PHE A 23 18.580 -0.277 -8.418 1.00 0.00 C ATOM 307 O PHE A 23 19.171 -0.328 -9.495 1.00 0.00 O ATOM 308 CB PHE A 23 18.495 -2.759 -8.219 1.00 0.00 C ATOM 309 CG PHE A 23 17.747 -4.022 -7.790 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.375 -4.185 -6.492 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.453 -4.983 -8.707 1.00 0.00 C ATOM 312 CE1 PHE A 23 16.680 -5.357 -6.094 1.00 0.00 C ATOM 313 CE2 PHE A 23 16.757 -6.155 -8.309 1.00 0.00 C ATOM 314 CZ PHE A 23 16.386 -6.318 -7.011 1.00 0.00 C ATOM 0 H PHE A 23 16.247 -2.464 -9.017 1.00 0.00 H new ATOM 0 HA PHE A 23 17.542 -1.324 -6.874 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.707 -2.820 -9.286 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.455 -2.726 -7.704 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.608 -3.422 -5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.749 -4.855 -9.738 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.385 -5.486 -5.063 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.522 -6.917 -9.037 1.00 0.00 H new ATOM 0 HZ PHE A 23 15.858 -7.210 -6.708 1.00 0.00 H new ATOM 324 N GLY A 24 18.608 0.761 -7.595 1.00 0.00 N ATOM 325 CA GLY A 24 19.368 1.955 -7.922 1.00 0.00 C ATOM 326 C GLY A 24 18.562 2.887 -8.829 1.00 0.00 C ATOM 327 O GLY A 24 18.873 4.072 -8.941 1.00 0.00 O ATOM 0 H GLY A 24 18.116 0.800 -6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.640 2.479 -7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.298 1.674 -8.417 1.00 0.00 H new ATOM 331 N LYS A 25 17.542 2.317 -9.454 1.00 0.00 N ATOM 332 CA LYS A 25 16.690 3.082 -10.347 1.00 0.00 C ATOM 333 C LYS A 25 15.838 4.052 -9.526 1.00 0.00 C ATOM 334 O LYS A 25 15.015 3.629 -8.716 1.00 0.00 O ATOM 335 CB LYS A 25 15.869 2.146 -11.237 1.00 0.00 C ATOM 336 CG LYS A 25 14.750 2.908 -11.950 1.00 0.00 C ATOM 337 CD LYS A 25 15.177 3.317 -13.361 1.00 0.00 C ATOM 338 CE LYS A 25 15.782 4.722 -13.366 1.00 0.00 C ATOM 339 NZ LYS A 25 16.920 4.793 -14.309 1.00 0.00 N ATOM 0 H LYS A 25 17.287 1.334 -9.359 1.00 0.00 H new ATOM 0 HA LYS A 25 17.294 3.683 -11.027 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.520 1.675 -11.974 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.441 1.346 -10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.857 2.285 -12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.486 3.795 -11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.905 2.603 -13.746 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.316 3.286 -14.029 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.022 5.451 -13.648 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.117 4.984 -12.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.319 5.753 -14.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.651 4.112 -14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.591 4.564 -15.269 1.00 0.00 H new ATOM 353 N LYS A 26 16.066 5.336 -9.763 1.00 0.00 N ATOM 354 CA LYS A 26 15.330 6.370 -9.055 1.00 0.00 C ATOM 355 C LYS A 26 14.003 6.628 -9.773 1.00 0.00 C ATOM 356 O LYS A 26 13.953 6.654 -11.002 1.00 0.00 O ATOM 357 CB LYS A 26 16.192 7.622 -8.888 1.00 0.00 C ATOM 358 CG LYS A 26 16.400 8.328 -10.230 1.00 0.00 C ATOM 359 CD LYS A 26 17.870 8.285 -10.651 1.00 0.00 C ATOM 360 CE LYS A 26 18.690 9.325 -9.885 1.00 0.00 C ATOM 361 NZ LYS A 26 20.027 9.485 -10.499 1.00 0.00 N ATOM 0 H LYS A 26 16.750 5.684 -10.435 1.00 0.00 H new ATOM 0 HA LYS A 26 15.088 6.041 -8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.716 8.304 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.158 7.349 -8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.785 7.852 -10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 26 16.070 9.364 -10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.276 7.290 -10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.951 8.470 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.167 10.281 -9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.795 9.019 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.571 10.194 -9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.530 8.575 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.921 9.798 -11.485 1.00 0.00 H new ATOM 375 N ALA A 27 12.962 6.811 -8.975 1.00 0.00 N ATOM 376 CA ALA A 27 11.638 7.065 -9.519 1.00 0.00 C ATOM 377 C ALA A 27 11.588 8.487 -10.083 1.00 0.00 C ATOM 378 O ALA A 27 11.980 9.439 -9.411 1.00 0.00 O ATOM 379 CB ALA A 27 10.586 6.832 -8.433 1.00 0.00 C ATOM 0 H ALA A 27 13.008 6.789 -7.956 1.00 0.00 H new ATOM 0 HA ALA A 27 11.421 6.377 -10.336 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.593 7.023 -8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.644 5.800 -8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.770 7.507 -7.597 1.00 0.00 H new ATOM 385 N ALA A 28 11.103 8.585 -11.312 1.00 0.00 N ATOM 386 CA ALA A 28 10.997 9.874 -11.974 1.00 0.00 C ATOM 387 C ALA A 28 10.323 10.872 -11.031 1.00 0.00 C ATOM 388 O ALA A 28 10.945 11.842 -10.600 1.00 0.00 O ATOM 389 CB ALA A 28 10.235 9.710 -13.291 1.00 0.00 C ATOM 0 H ALA A 28 10.779 7.793 -11.867 1.00 0.00 H new ATOM 0 HA ALA A 28 11.986 10.264 -12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.155 10.677 -13.788 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.770 9.013 -13.936 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.236 9.323 -13.088 1.00 0.00 H new ATOM 395 N ASN A 29 9.059 10.601 -10.738 1.00 0.00 N ATOM 396 CA ASN A 29 8.294 11.464 -9.855 1.00 0.00 C ATOM 397 C ASN A 29 7.991 10.716 -8.555 1.00 0.00 C ATOM 398 O ASN A 29 7.398 9.638 -8.578 1.00 0.00 O ATOM 399 CB ASN A 29 6.962 11.863 -10.492 1.00 0.00 C ATOM 400 CG ASN A 29 6.709 13.364 -10.340 1.00 0.00 C ATOM 401 OD1 ASN A 29 7.260 14.029 -9.479 1.00 0.00 O ATOM 402 ND2 ASN A 29 5.846 13.859 -11.223 1.00 0.00 N ATOM 0 H ASN A 29 8.546 9.796 -11.097 1.00 0.00 H new ATOM 0 HA ASN A 29 8.885 12.360 -9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.966 11.597 -11.549 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.150 11.305 -10.026 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.610 14.851 -11.205 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.420 13.246 -11.918 1.00 0.00 H new ATOM 409 N ARG A 30 8.412 11.317 -7.452 1.00 0.00 N ATOM 410 CA ARG A 30 8.193 10.721 -6.145 1.00 0.00 C ATOM 411 C ARG A 30 7.295 11.621 -5.294 1.00 0.00 C ATOM 412 O ARG A 30 7.722 12.132 -4.261 1.00 0.00 O ATOM 413 CB ARG A 30 9.518 10.497 -5.413 1.00 0.00 C ATOM 414 CG ARG A 30 10.469 9.640 -6.251 1.00 0.00 C ATOM 415 CD ARG A 30 11.918 10.103 -6.080 1.00 0.00 C ATOM 416 NE ARG A 30 12.148 11.341 -6.857 1.00 0.00 N ATOM 417 CZ ARG A 30 13.179 12.174 -6.654 1.00 0.00 C ATOM 418 NH1 ARG A 30 14.079 11.906 -5.699 1.00 0.00 N ATOM 419 NH2 ARG A 30 13.308 13.275 -7.407 1.00 0.00 N ATOM 0 H ARG A 30 8.904 12.211 -7.436 1.00 0.00 H new ATOM 0 HA ARG A 30 7.707 9.757 -6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.985 11.458 -5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.331 10.010 -4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.380 8.595 -5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.186 9.698 -7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.130 10.281 -5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.600 9.322 -6.415 1.00 0.00 H new ATOM 0 HE ARG A 30 11.481 11.575 -7.592 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.980 11.068 -5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.863 12.540 -5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.622 13.479 -8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.092 13.909 -7.253 1.00 0.00 H new ATOM 433 N SER A 31 6.066 11.787 -5.761 1.00 0.00 N ATOM 434 CA SER A 31 5.103 12.616 -5.057 1.00 0.00 C ATOM 435 C SER A 31 4.087 11.734 -4.329 1.00 0.00 C ATOM 436 O SER A 31 3.925 10.562 -4.662 1.00 0.00 O ATOM 437 CB SER A 31 4.388 13.568 -6.018 1.00 0.00 C ATOM 438 OG SER A 31 5.304 14.268 -6.856 1.00 0.00 O ATOM 0 H SER A 31 5.715 11.361 -6.619 1.00 0.00 H new ATOM 0 HA SER A 31 5.641 13.219 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.690 13.003 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.799 14.285 -5.446 1.00 0.00 H new ATOM 0 HG SER A 31 4.809 14.864 -7.456 1.00 0.00 H new ATOM 444 N TRP A 32 3.428 12.333 -3.347 1.00 0.00 N ATOM 445 CA TRP A 32 2.432 11.617 -2.569 1.00 0.00 C ATOM 446 C TRP A 32 1.079 11.781 -3.266 1.00 0.00 C ATOM 447 O TRP A 32 0.695 12.892 -3.628 1.00 0.00 O ATOM 448 CB TRP A 32 2.419 12.100 -1.117 1.00 0.00 C ATOM 449 CG TRP A 32 3.599 11.596 -0.283 1.00 0.00 C ATOM 450 CD1 TRP A 32 4.760 12.218 -0.037 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.686 10.332 0.408 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.585 11.451 0.760 1.00 0.00 N ATOM 453 CE2 TRP A 32 4.911 10.268 1.039 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.759 9.279 0.498 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.323 9.170 1.804 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.186 8.188 1.266 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.417 8.108 1.907 1.00 0.00 C ATOM 0 H TRP A 32 3.565 13.306 -3.073 1.00 0.00 H new ATOM 0 HA TRP A 32 2.672 10.555 -2.520 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.420 13.190 -1.107 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.490 11.778 -0.646 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.018 13.196 -0.415 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.518 11.705 1.085 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.794 9.309 0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.288 9.144 2.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.512 7.350 1.367 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.673 7.230 2.482 1.00 0.00 H new ATOM 468 N GLN A 33 0.395 10.659 -3.432 1.00 0.00 N ATOM 469 CA GLN A 33 -0.906 10.665 -4.079 1.00 0.00 C ATOM 470 C GLN A 33 -1.800 9.577 -3.482 1.00 0.00 C ATOM 471 O GLN A 33 -1.350 8.456 -3.251 1.00 0.00 O ATOM 472 CB GLN A 33 -0.766 10.490 -5.593 1.00 0.00 C ATOM 473 CG GLN A 33 0.005 11.658 -6.211 1.00 0.00 C ATOM 474 CD GLN A 33 -0.332 11.814 -7.695 1.00 0.00 C ATOM 475 OE1 GLN A 33 -1.447 11.584 -8.132 1.00 0.00 O ATOM 476 NE2 GLN A 33 0.691 12.219 -8.443 1.00 0.00 N ATOM 0 H GLN A 33 0.717 9.740 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.375 11.632 -3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.250 9.554 -5.808 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.754 10.421 -6.048 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.237 12.579 -5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.076 11.494 -6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.599 12.394 -8.013 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.567 12.355 -9.446 1.00 0.00 H new ATOM 485 N ASN A 34 -3.052 9.946 -3.250 1.00 0.00 N ATOM 486 CA ASN A 34 -4.013 9.015 -2.684 1.00 0.00 C ATOM 487 C ASN A 34 -4.336 7.932 -3.715 1.00 0.00 C ATOM 488 O ASN A 34 -5.082 8.175 -4.662 1.00 0.00 O ATOM 489 CB ASN A 34 -5.319 9.726 -2.320 1.00 0.00 C ATOM 490 CG ASN A 34 -5.197 10.441 -0.973 1.00 0.00 C ATOM 491 OD1 ASN A 34 -4.972 11.638 -0.895 1.00 0.00 O ATOM 492 ND2 ASN A 34 -5.356 9.644 0.079 1.00 0.00 N ATOM 0 H ASN A 34 -3.422 10.876 -3.444 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.574 8.582 -1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.573 10.447 -3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.132 9.002 -2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.292 10.026 1.023 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.542 8.650 -0.057 1.00 0.00 H new ATOM 499 N VAL A 35 -3.758 6.760 -3.496 1.00 0.00 N ATOM 500 CA VAL A 35 -3.974 5.639 -4.395 1.00 0.00 C ATOM 501 C VAL A 35 -4.539 4.459 -3.603 1.00 0.00 C ATOM 502 O VAL A 35 -3.935 4.013 -2.628 1.00 0.00 O ATOM 503 CB VAL A 35 -2.676 5.300 -5.130 1.00 0.00 C ATOM 504 CG1 VAL A 35 -2.920 4.249 -6.216 1.00 0.00 C ATOM 505 CG2 VAL A 35 -2.034 6.558 -5.718 1.00 0.00 C ATOM 0 H VAL A 35 -3.140 6.562 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.706 5.898 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.980 4.877 -4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.982 4.026 -6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.312 3.339 -5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.641 4.633 -6.938 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.113 6.289 -6.235 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.723 7.023 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.808 7.260 -4.916 1.00 0.00 H new ATOM 515 N TYR A 36 -5.693 3.985 -4.051 1.00 0.00 N ATOM 516 CA TYR A 36 -6.346 2.864 -3.396 1.00 0.00 C ATOM 517 C TYR A 36 -5.629 1.550 -3.713 1.00 0.00 C ATOM 518 O TYR A 36 -5.663 1.078 -4.848 1.00 0.00 O ATOM 519 CB TYR A 36 -7.764 2.809 -3.969 1.00 0.00 C ATOM 520 CG TYR A 36 -8.708 1.878 -3.205 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.229 2.271 -1.989 1.00 0.00 C ATOM 522 CD2 TYR A 36 -9.039 0.647 -3.732 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.118 1.395 -1.270 1.00 0.00 C ATOM 524 CE2 TYR A 36 -9.928 -0.229 -3.013 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.423 0.189 -1.818 1.00 0.00 C ATOM 526 OH TYR A 36 -11.263 -0.638 -1.139 1.00 0.00 O ATOM 0 H TYR A 36 -6.192 4.357 -4.859 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.337 2.993 -2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.184 3.815 -3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.713 2.485 -5.008 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.970 3.235 -1.577 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.632 0.340 -4.684 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.533 1.690 -0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.195 -1.196 -3.414 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.582 -1.345 -1.739 1.00 0.00 H new ATOM 536 N CYS A 37 -4.997 0.996 -2.689 1.00 0.00 N ATOM 537 CA CYS A 37 -4.273 -0.254 -2.844 1.00 0.00 C ATOM 538 C CYS A 37 -5.290 -1.396 -2.892 1.00 0.00 C ATOM 539 O CYS A 37 -6.175 -1.480 -2.042 1.00 0.00 O ATOM 540 CB CYS A 37 -3.244 -0.454 -1.729 1.00 0.00 C ATOM 541 SG CYS A 37 -1.553 -0.450 -2.430 1.00 0.00 S ATOM 0 H CYS A 37 -4.971 1.390 -1.749 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.705 -0.235 -3.774 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.341 0.339 -0.987 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.431 -1.397 -1.215 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.855 0.495 -1.873 1.00 0.00 H new ATOM 547 N VAL A 38 -5.130 -2.246 -3.896 1.00 0.00 N ATOM 548 CA VAL A 38 -6.024 -3.379 -4.067 1.00 0.00 C ATOM 549 C VAL A 38 -5.198 -4.661 -4.188 1.00 0.00 C ATOM 550 O VAL A 38 -4.578 -4.909 -5.221 1.00 0.00 O ATOM 551 CB VAL A 38 -6.943 -3.144 -5.267 1.00 0.00 C ATOM 552 CG1 VAL A 38 -7.789 -4.385 -5.561 1.00 0.00 C ATOM 553 CG2 VAL A 38 -7.828 -1.916 -5.048 1.00 0.00 C ATOM 0 H VAL A 38 -4.395 -2.173 -4.599 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.671 -3.490 -3.197 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.315 -2.953 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.433 -4.191 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.134 -5.228 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.403 -4.621 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.471 -1.772 -5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.443 -2.065 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.201 -1.035 -4.911 1.00 0.00 H new ATOM 563 N LEU A 39 -5.216 -5.441 -3.117 1.00 0.00 N ATOM 564 CA LEU A 39 -4.476 -6.692 -3.090 1.00 0.00 C ATOM 565 C LEU A 39 -5.431 -7.851 -3.384 1.00 0.00 C ATOM 566 O LEU A 39 -6.556 -7.874 -2.887 1.00 0.00 O ATOM 567 CB LEU A 39 -3.719 -6.838 -1.769 1.00 0.00 C ATOM 568 CG LEU A 39 -2.865 -8.099 -1.621 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.380 -7.747 -1.517 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.338 -8.946 -0.438 1.00 0.00 C ATOM 0 H LEU A 39 -5.731 -5.231 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.714 -6.701 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.073 -5.969 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.443 -6.815 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.990 -8.703 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.796 -8.661 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.068 -7.218 -2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.217 -7.111 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.714 -9.836 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.262 -8.363 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.375 -9.243 -0.595 1.00 0.00 H new ATOM 582 N ARG A 40 -4.947 -8.784 -4.191 1.00 0.00 N ATOM 583 CA ARG A 40 -5.744 -9.943 -4.556 1.00 0.00 C ATOM 584 C ARG A 40 -4.945 -10.866 -5.480 1.00 0.00 C ATOM 585 O ARG A 40 -4.154 -10.398 -6.297 1.00 0.00 O ATOM 586 CB ARG A 40 -7.036 -9.523 -5.260 1.00 0.00 C ATOM 587 CG ARG A 40 -8.237 -10.290 -4.702 1.00 0.00 C ATOM 588 CD ARG A 40 -9.318 -9.329 -4.204 1.00 0.00 C ATOM 589 NE ARG A 40 -10.494 -10.092 -3.729 1.00 0.00 N ATOM 590 CZ ARG A 40 -11.382 -10.686 -4.539 1.00 0.00 C ATOM 591 NH1 ARG A 40 -11.232 -10.608 -5.868 1.00 0.00 N ATOM 592 NH2 ARG A 40 -12.418 -11.357 -4.019 1.00 0.00 N ATOM 0 H ARG A 40 -4.014 -8.761 -4.602 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.999 -10.473 -3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.193 -8.452 -5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.948 -9.707 -6.331 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.650 -10.938 -5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.914 -10.934 -3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.924 -8.712 -3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.613 -8.653 -5.006 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.638 -10.171 -2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.443 -10.097 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.907 -11.060 -6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.531 -11.416 -3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.094 -11.809 -4.635 1.00 0.00 H new ATOM 606 N ARG A 41 -5.181 -12.159 -5.318 1.00 0.00 N ATOM 607 CA ARG A 41 -4.493 -13.152 -6.127 1.00 0.00 C ATOM 608 C ARG A 41 -2.979 -12.960 -6.028 1.00 0.00 C ATOM 609 O ARG A 41 -2.232 -13.443 -6.878 1.00 0.00 O ATOM 610 CB ARG A 41 -4.918 -13.057 -7.594 1.00 0.00 C ATOM 611 CG ARG A 41 -5.552 -14.367 -8.067 1.00 0.00 C ATOM 612 CD ARG A 41 -6.862 -14.641 -7.326 1.00 0.00 C ATOM 613 NE ARG A 41 -7.990 -14.664 -8.284 1.00 0.00 N ATOM 614 CZ ARG A 41 -9.281 -14.627 -7.926 1.00 0.00 C ATOM 615 NH1 ARG A 41 -9.615 -14.564 -6.630 1.00 0.00 N ATOM 616 NH2 ARG A 41 -10.237 -14.653 -8.864 1.00 0.00 N ATOM 0 H ARG A 41 -5.838 -12.543 -4.639 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.763 -14.137 -5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.628 -12.239 -7.718 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.052 -12.824 -8.213 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.740 -14.318 -9.139 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.858 -15.191 -7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.800 -15.594 -6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.030 -13.872 -6.572 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.771 -14.711 -9.279 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.887 -14.544 -5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.597 -14.536 -6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.982 -14.701 -9.851 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.220 -14.625 -8.592 1.00 0.00 H new ATOM 630 N GLY A 42 -2.570 -12.255 -4.983 1.00 0.00 N ATOM 631 CA GLY A 42 -1.158 -11.994 -4.762 1.00 0.00 C ATOM 632 C GLY A 42 -0.651 -10.896 -5.699 1.00 0.00 C ATOM 633 O GLY A 42 0.441 -11.005 -6.255 1.00 0.00 O ATOM 0 H GLY A 42 -3.192 -11.856 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.997 -11.696 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.586 -12.908 -4.923 1.00 0.00 H new ATOM 637 N SER A 43 -1.467 -9.862 -5.843 1.00 0.00 N ATOM 638 CA SER A 43 -1.115 -8.745 -6.702 1.00 0.00 C ATOM 639 C SER A 43 -1.667 -7.442 -6.120 1.00 0.00 C ATOM 640 O SER A 43 -2.855 -7.349 -5.815 1.00 0.00 O ATOM 641 CB SER A 43 -1.640 -8.956 -8.124 1.00 0.00 C ATOM 642 OG SER A 43 -3.055 -9.121 -8.151 1.00 0.00 O ATOM 0 H SER A 43 -2.371 -9.775 -5.379 1.00 0.00 H new ATOM 0 HA SER A 43 -0.028 -8.681 -6.751 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.362 -8.103 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.164 -9.835 -8.560 1.00 0.00 H new ATOM 0 HG SER A 43 -3.309 -9.867 -7.568 1.00 0.00 H new ATOM 648 N LEU A 44 -0.778 -6.469 -5.983 1.00 0.00 N ATOM 649 CA LEU A 44 -1.162 -5.176 -5.442 1.00 0.00 C ATOM 650 C LEU A 44 -1.529 -4.236 -6.592 1.00 0.00 C ATOM 651 O LEU A 44 -0.668 -3.850 -7.381 1.00 0.00 O ATOM 652 CB LEU A 44 -0.064 -4.630 -4.528 1.00 0.00 C ATOM 653 CG LEU A 44 -0.401 -3.346 -3.767 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.653 -3.530 -2.908 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.796 -2.867 -2.942 1.00 0.00 C ATOM 0 H LEU A 44 0.207 -6.550 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.048 -5.273 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.194 -5.401 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.826 -4.449 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.623 -2.566 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.870 -2.603 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.497 -3.789 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.485 -4.330 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.530 -1.953 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.073 -3.637 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.639 -2.669 -3.604 1.00 0.00 H new ATOM 667 N GLY A 45 -2.808 -3.894 -6.650 1.00 0.00 N ATOM 668 CA GLY A 45 -3.299 -3.007 -7.690 1.00 0.00 C ATOM 669 C GLY A 45 -3.511 -1.592 -7.148 1.00 0.00 C ATOM 670 O GLY A 45 -3.668 -1.402 -5.943 1.00 0.00 O ATOM 0 H GLY A 45 -3.519 -4.216 -5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.589 -2.981 -8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.238 -3.392 -8.088 1.00 0.00 H new ATOM 674 N PHE A 46 -3.511 -0.635 -8.065 1.00 0.00 N ATOM 675 CA PHE A 46 -3.702 0.757 -7.694 1.00 0.00 C ATOM 676 C PHE A 46 -4.930 1.346 -8.390 1.00 0.00 C ATOM 677 O PHE A 46 -5.164 1.086 -9.569 1.00 0.00 O ATOM 678 CB PHE A 46 -2.456 1.517 -8.154 1.00 0.00 C ATOM 679 CG PHE A 46 -1.144 0.950 -7.609 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.929 0.902 -6.267 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.193 0.493 -8.467 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.289 0.375 -5.761 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.025 -0.034 -7.961 1.00 0.00 C ATOM 684 CZ PHE A 46 1.240 -0.082 -6.619 1.00 0.00 C ATOM 0 H PHE A 46 -3.382 -0.796 -9.064 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.854 0.838 -6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.419 1.508 -9.243 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.545 2.559 -7.847 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.685 1.265 -5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.364 0.531 -9.533 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.460 0.337 -4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.781 -0.397 -8.642 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.166 -0.483 -6.235 1.00 0.00 H new ATOM 694 N TYR A 47 -5.683 2.128 -7.630 1.00 0.00 N ATOM 695 CA TYR A 47 -6.882 2.756 -8.159 1.00 0.00 C ATOM 696 C TYR A 47 -7.149 4.095 -7.468 1.00 0.00 C ATOM 697 O TYR A 47 -6.583 4.378 -6.413 1.00 0.00 O ATOM 698 CB TYR A 47 -8.032 1.797 -7.849 1.00 0.00 C ATOM 699 CG TYR A 47 -7.863 0.404 -8.459 1.00 0.00 C ATOM 700 CD1 TYR A 47 -6.948 -0.479 -7.921 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.624 0.031 -9.548 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.789 -1.789 -8.496 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.464 -1.280 -10.122 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.555 -2.125 -9.568 1.00 0.00 C ATOM 705 OH TYR A 47 -7.404 -3.363 -10.110 1.00 0.00 O ATOM 0 H TYR A 47 -5.486 2.341 -6.652 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.776 2.949 -9.226 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.129 1.699 -6.768 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.962 2.232 -8.214 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.352 -0.187 -7.069 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.339 0.722 -9.970 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.077 -2.489 -8.085 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.053 -1.585 -10.974 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.016 -3.465 -10.869 1.00 0.00 H new ATOM 715 N LYS A 48 -8.013 4.883 -8.090 1.00 0.00 N ATOM 716 CA LYS A 48 -8.363 6.185 -7.549 1.00 0.00 C ATOM 717 C LYS A 48 -8.837 6.021 -6.103 1.00 0.00 C ATOM 718 O LYS A 48 -8.175 6.478 -5.173 1.00 0.00 O ATOM 719 CB LYS A 48 -9.379 6.887 -8.453 1.00 0.00 C ATOM 720 CG LYS A 48 -9.623 8.325 -7.991 1.00 0.00 C ATOM 721 CD LYS A 48 -9.038 9.327 -8.988 1.00 0.00 C ATOM 722 CE LYS A 48 -9.865 10.614 -9.021 1.00 0.00 C ATOM 723 NZ LYS A 48 -10.845 10.572 -10.130 1.00 0.00 N ATOM 0 H LYS A 48 -8.481 4.645 -8.964 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.488 6.835 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.017 6.888 -9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.319 6.335 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.693 8.499 -7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.173 8.477 -7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.009 9.559 -8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.011 8.882 -9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.386 10.743 -8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.206 11.474 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.398 11.453 -10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.342 10.471 -11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.485 9.763 -9.997 1.00 0.00 H new ATOM 737 N ASP A 49 -9.980 5.367 -5.960 1.00 0.00 N ATOM 738 CA ASP A 49 -10.551 5.136 -4.643 1.00 0.00 C ATOM 739 C ASP A 49 -11.378 3.850 -4.669 1.00 0.00 C ATOM 740 O ASP A 49 -11.441 3.168 -5.691 1.00 0.00 O ATOM 741 CB ASP A 49 -11.475 6.285 -4.235 1.00 0.00 C ATOM 742 CG ASP A 49 -11.059 7.664 -4.750 1.00 0.00 C ATOM 743 OD1 ASP A 49 -10.191 8.278 -4.093 1.00 0.00 O ATOM 744 OD2 ASP A 49 -11.619 8.074 -5.790 1.00 0.00 O ATOM 0 H ASP A 49 -10.527 4.990 -6.734 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.732 5.061 -3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.481 6.068 -4.595 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.527 6.321 -3.147 1.00 0.00 H new ATOM 749 N ALA A 50 -11.992 3.556 -3.532 1.00 0.00 N ATOM 750 CA ALA A 50 -12.813 2.363 -3.411 1.00 0.00 C ATOM 751 C ALA A 50 -13.998 2.465 -4.373 1.00 0.00 C ATOM 752 O ALA A 50 -14.689 1.478 -4.619 1.00 0.00 O ATOM 753 CB ALA A 50 -13.255 2.193 -1.956 1.00 0.00 C ATOM 0 H ALA A 50 -11.937 4.124 -2.686 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.243 1.475 -3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.871 1.298 -1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.377 2.095 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.833 3.064 -1.647 1.00 0.00 H new ATOM 759 N LYS A 51 -14.197 3.669 -4.891 1.00 0.00 N ATOM 760 CA LYS A 51 -15.287 3.913 -5.820 1.00 0.00 C ATOM 761 C LYS A 51 -14.861 3.479 -7.224 1.00 0.00 C ATOM 762 O LYS A 51 -15.699 3.104 -8.043 1.00 0.00 O ATOM 763 CB LYS A 51 -15.744 5.371 -5.739 1.00 0.00 C ATOM 764 CG LYS A 51 -16.709 5.579 -4.571 1.00 0.00 C ATOM 765 CD LYS A 51 -18.135 5.183 -4.961 1.00 0.00 C ATOM 766 CE LYS A 51 -18.921 6.393 -5.469 1.00 0.00 C ATOM 767 NZ LYS A 51 -19.595 7.082 -4.346 1.00 0.00 N ATOM 0 H LYS A 51 -13.622 4.486 -4.685 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.158 3.315 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.877 6.021 -5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.230 5.656 -6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.384 4.986 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.690 6.624 -4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.104 4.415 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.644 4.750 -4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.248 7.084 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -19.660 6.072 -6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -20.124 7.901 -4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.252 6.424 -3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.883 7.406 -3.660 1.00 0.00 H new ATOM 781 N ALA A 52 -13.559 3.544 -7.460 1.00 0.00 N ATOM 782 CA ALA A 52 -13.011 3.163 -8.751 1.00 0.00 C ATOM 783 C ALA A 52 -12.766 1.653 -8.770 1.00 0.00 C ATOM 784 O ALA A 52 -13.160 0.968 -9.713 1.00 0.00 O ATOM 785 CB ALA A 52 -11.737 3.964 -9.022 1.00 0.00 C ATOM 0 H ALA A 52 -12.867 3.855 -6.778 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.716 3.393 -9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.326 3.678 -9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.971 5.029 -9.027 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.004 3.757 -8.242 1.00 0.00 H new ATOM 791 N ALA A 53 -12.117 1.178 -7.717 1.00 0.00 N ATOM 792 CA ALA A 53 -11.815 -0.239 -7.601 1.00 0.00 C ATOM 793 C ALA A 53 -13.063 -1.052 -7.949 1.00 0.00 C ATOM 794 O ALA A 53 -13.016 -1.931 -8.809 1.00 0.00 O ATOM 795 CB ALA A 53 -11.299 -0.537 -6.191 1.00 0.00 C ATOM 0 H ALA A 53 -11.792 1.749 -6.937 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.030 -0.523 -8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.072 -1.600 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.395 0.043 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.061 -0.267 -5.460 1.00 0.00 H new ATOM 801 N SER A 54 -14.150 -0.731 -7.263 1.00 0.00 N ATOM 802 CA SER A 54 -15.409 -1.422 -7.489 1.00 0.00 C ATOM 803 C SER A 54 -15.743 -1.425 -8.982 1.00 0.00 C ATOM 804 O SER A 54 -16.103 -2.461 -9.539 1.00 0.00 O ATOM 805 CB SER A 54 -16.543 -0.774 -6.693 1.00 0.00 C ATOM 806 OG SER A 54 -17.608 -1.687 -6.441 1.00 0.00 O ATOM 0 H SER A 54 -14.185 -0.002 -6.551 1.00 0.00 H new ATOM 0 HA SER A 54 -15.302 -2.451 -7.145 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.154 -0.401 -5.746 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.925 0.087 -7.242 1.00 0.00 H new ATOM 0 HG SER A 54 -18.311 -1.236 -5.929 1.00 0.00 H new ATOM 812 N ALA A 55 -15.612 -0.254 -9.588 1.00 0.00 N ATOM 813 CA ALA A 55 -15.895 -0.109 -11.006 1.00 0.00 C ATOM 814 C ALA A 55 -14.852 -0.885 -11.812 1.00 0.00 C ATOM 815 O ALA A 55 -15.166 -1.449 -12.859 1.00 0.00 O ATOM 816 CB ALA A 55 -15.927 1.377 -11.371 1.00 0.00 C ATOM 0 H ALA A 55 -15.314 0.603 -9.123 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.873 -0.525 -11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.139 1.486 -12.435 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.704 1.877 -10.793 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.960 1.828 -11.146 1.00 0.00 H new ATOM 822 N GLY A 56 -13.633 -0.888 -11.294 1.00 0.00 N ATOM 823 CA GLY A 56 -12.542 -1.586 -11.953 1.00 0.00 C ATOM 824 C GLY A 56 -11.771 -0.645 -12.882 1.00 0.00 C ATOM 825 O GLY A 56 -11.229 -1.078 -13.898 1.00 0.00 O ATOM 0 H GLY A 56 -13.376 -0.418 -10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.865 -1.999 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.936 -2.426 -12.525 1.00 0.00 H new ATOM 829 N VAL A 57 -11.748 0.623 -12.501 1.00 0.00 N ATOM 830 CA VAL A 57 -11.053 1.628 -13.287 1.00 0.00 C ATOM 831 C VAL A 57 -9.681 1.897 -12.666 1.00 0.00 C ATOM 832 O VAL A 57 -9.584 2.242 -11.490 1.00 0.00 O ATOM 833 CB VAL A 57 -11.913 2.888 -13.403 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.237 3.934 -14.293 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.313 2.551 -13.920 1.00 0.00 C ATOM 0 H VAL A 57 -12.200 0.978 -11.658 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.886 1.269 -14.303 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.018 3.314 -12.405 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.869 4.819 -14.359 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.273 4.208 -13.865 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.087 3.521 -15.290 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.904 3.464 -13.993 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.236 2.089 -14.904 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.798 1.859 -13.232 1.00 0.00 H new ATOM 845 N PRO A 58 -8.626 1.723 -13.507 1.00 0.00 N ATOM 846 CA PRO A 58 -7.263 1.942 -13.053 1.00 0.00 C ATOM 847 C PRO A 58 -6.961 3.437 -12.927 1.00 0.00 C ATOM 848 O PRO A 58 -7.336 4.225 -13.794 1.00 0.00 O ATOM 849 CB PRO A 58 -6.388 1.244 -14.082 1.00 0.00 C ATOM 850 CG PRO A 58 -7.260 1.061 -15.314 1.00 0.00 C ATOM 851 CD PRO A 58 -8.702 1.315 -14.907 1.00 0.00 C ATOM 0 HA PRO A 58 -7.082 1.539 -12.057 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.505 1.840 -14.313 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.035 0.283 -13.707 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.958 1.752 -16.101 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.148 0.053 -15.714 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.156 2.092 -15.522 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.311 0.419 -15.026 1.00 0.00 H new ATOM 859 N TYR A 59 -6.286 3.782 -11.841 1.00 0.00 N ATOM 860 CA TYR A 59 -5.929 5.168 -11.590 1.00 0.00 C ATOM 861 C TYR A 59 -5.344 5.819 -12.845 1.00 0.00 C ATOM 862 O TYR A 59 -5.937 6.739 -13.406 1.00 0.00 O ATOM 863 CB TYR A 59 -4.857 5.137 -10.499 1.00 0.00 C ATOM 864 CG TYR A 59 -4.489 6.517 -9.949 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.482 7.394 -9.564 1.00 0.00 C ATOM 866 CD2 TYR A 59 -3.163 6.884 -9.839 1.00 0.00 C ATOM 867 CE1 TYR A 59 -5.135 8.693 -9.047 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.816 8.182 -9.322 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.819 9.023 -8.952 1.00 0.00 C ATOM 870 OH TYR A 59 -3.491 10.249 -8.464 1.00 0.00 O ATOM 0 H TYR A 59 -5.977 3.126 -11.124 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.807 5.743 -11.297 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.207 4.511 -9.678 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.959 4.665 -10.899 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.519 7.107 -9.650 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.386 6.197 -10.141 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.902 9.389 -8.742 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.782 8.481 -9.230 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.521 10.300 -8.332 1.00 0.00 H new ATOM 880 N HIS A 60 -4.186 5.317 -13.248 1.00 0.00 N ATOM 881 CA HIS A 60 -3.513 5.838 -14.426 1.00 0.00 C ATOM 882 C HIS A 60 -3.240 4.697 -15.408 1.00 0.00 C ATOM 883 O HIS A 60 -2.116 4.535 -15.880 1.00 0.00 O ATOM 884 CB HIS A 60 -2.245 6.600 -14.035 1.00 0.00 C ATOM 885 CG HIS A 60 -2.504 7.988 -13.499 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.482 8.456 -12.672 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -1.702 9.072 -13.809 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -3.288 9.756 -12.486 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -2.185 10.140 -13.190 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.696 4.555 -12.780 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.159 6.558 -14.929 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.706 6.025 -13.282 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.594 6.674 -14.906 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.831 9.051 -14.447 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.902 10.403 -11.877 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.799 11.083 -13.233 1.00 0.00 H new ATOM 897 N GLY A 61 -4.288 3.935 -15.686 1.00 0.00 N ATOM 898 CA GLY A 61 -4.175 2.813 -16.603 1.00 0.00 C ATOM 899 C GLY A 61 -3.014 1.898 -16.209 1.00 0.00 C ATOM 900 O GLY A 61 -2.520 1.127 -17.031 1.00 0.00 O ATOM 0 H GLY A 61 -5.219 4.072 -15.293 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.106 2.245 -16.605 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.024 3.182 -17.618 1.00 0.00 H new ATOM 904 N GLU A 62 -2.612 2.012 -14.952 1.00 0.00 N ATOM 905 CA GLU A 62 -1.518 1.205 -14.440 1.00 0.00 C ATOM 906 C GLU A 62 -2.014 -0.200 -14.091 1.00 0.00 C ATOM 907 O GLU A 62 -3.209 -0.408 -13.886 1.00 0.00 O ATOM 908 CB GLU A 62 -0.865 1.872 -13.228 1.00 0.00 C ATOM 909 CG GLU A 62 0.265 2.808 -13.660 1.00 0.00 C ATOM 910 CD GLU A 62 1.455 2.710 -12.704 1.00 0.00 C ATOM 911 OE1 GLU A 62 1.278 3.116 -11.535 1.00 0.00 O ATOM 912 OE2 GLU A 62 2.515 2.231 -13.162 1.00 0.00 O ATOM 0 H GLU A 62 -3.025 2.651 -14.273 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.760 1.119 -15.219 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.614 2.434 -12.670 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.473 1.109 -12.556 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.585 2.555 -14.671 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.100 3.835 -13.688 1.00 0.00 H new ATOM 919 N VAL A 63 -1.071 -1.129 -14.034 1.00 0.00 N ATOM 920 CA VAL A 63 -1.397 -2.508 -13.714 1.00 0.00 C ATOM 921 C VAL A 63 -0.944 -2.816 -12.286 1.00 0.00 C ATOM 922 O VAL A 63 -0.212 -2.035 -11.681 1.00 0.00 O ATOM 923 CB VAL A 63 -0.780 -3.447 -14.753 1.00 0.00 C ATOM 924 CG1 VAL A 63 -1.822 -3.885 -15.784 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.425 -2.794 -15.434 1.00 0.00 C ATOM 0 H VAL A 63 -0.081 -0.953 -14.204 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.475 -2.665 -13.754 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.429 -4.338 -14.233 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.357 -4.552 -16.511 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.635 -4.408 -15.280 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.217 -3.008 -16.297 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.845 -3.482 -16.168 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.108 -1.879 -15.934 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.181 -2.556 -14.686 1.00 0.00 H new ATOM 935 N PRO A 64 -1.410 -3.988 -11.775 1.00 0.00 N ATOM 936 CA PRO A 64 -1.061 -4.409 -10.429 1.00 0.00 C ATOM 937 C PRO A 64 0.381 -4.917 -10.370 1.00 0.00 C ATOM 938 O PRO A 64 0.845 -5.586 -11.292 1.00 0.00 O ATOM 939 CB PRO A 64 -2.082 -5.477 -10.073 1.00 0.00 C ATOM 940 CG PRO A 64 -2.674 -5.944 -11.393 1.00 0.00 C ATOM 941 CD PRO A 64 -2.279 -4.938 -12.463 1.00 0.00 C ATOM 0 HA PRO A 64 -1.094 -3.590 -9.710 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.612 -6.304 -9.541 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.855 -5.075 -9.418 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.304 -6.937 -11.647 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.759 -6.017 -11.320 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.760 -5.423 -13.290 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.154 -4.442 -12.883 1.00 0.00 H new ATOM 949 N VAL A 65 1.050 -4.580 -9.278 1.00 0.00 N ATOM 950 CA VAL A 65 2.430 -4.994 -9.087 1.00 0.00 C ATOM 951 C VAL A 65 2.457 -6.363 -8.404 1.00 0.00 C ATOM 952 O VAL A 65 1.855 -6.546 -7.348 1.00 0.00 O ATOM 953 CB VAL A 65 3.195 -3.922 -8.308 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.326 -2.637 -9.128 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.530 -3.645 -6.958 1.00 0.00 C ATOM 0 H VAL A 65 0.662 -4.025 -8.515 1.00 0.00 H new ATOM 0 HA VAL A 65 2.934 -5.100 -10.048 1.00 0.00 H new ATOM 0 HB VAL A 65 4.199 -4.301 -8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.874 -1.892 -8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.864 -2.848 -10.052 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.333 -2.254 -9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.094 -2.879 -6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.510 -3.298 -7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.512 -4.560 -6.366 1.00 0.00 H new ATOM 965 N SER A 66 3.163 -7.290 -9.036 1.00 0.00 N ATOM 966 CA SER A 66 3.277 -8.636 -8.503 1.00 0.00 C ATOM 967 C SER A 66 4.123 -8.625 -7.228 1.00 0.00 C ATOM 968 O SER A 66 5.222 -8.073 -7.213 1.00 0.00 O ATOM 969 CB SER A 66 3.885 -9.588 -9.535 1.00 0.00 C ATOM 970 OG SER A 66 5.309 -9.579 -9.495 1.00 0.00 O ATOM 0 H SER A 66 3.661 -7.135 -9.912 1.00 0.00 H new ATOM 0 HA SER A 66 2.276 -8.994 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.524 -10.600 -9.352 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.548 -9.305 -10.532 1.00 0.00 H new ATOM 0 HG SER A 66 5.659 -10.200 -10.167 1.00 0.00 H new ATOM 976 N LEU A 67 3.578 -9.241 -6.189 1.00 0.00 N ATOM 977 CA LEU A 67 4.269 -9.308 -4.912 1.00 0.00 C ATOM 978 C LEU A 67 5.089 -10.598 -4.849 1.00 0.00 C ATOM 979 O LEU A 67 5.337 -11.128 -3.767 1.00 0.00 O ATOM 980 CB LEU A 67 3.278 -9.152 -3.757 1.00 0.00 C ATOM 981 CG LEU A 67 2.318 -7.964 -3.853 1.00 0.00 C ATOM 982 CD1 LEU A 67 1.026 -8.240 -3.083 1.00 0.00 C ATOM 983 CD2 LEU A 67 2.996 -6.672 -3.391 1.00 0.00 C ATOM 0 H LEU A 67 2.666 -9.698 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 67 4.969 -8.479 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.688 -10.066 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.843 -9.063 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 67 2.046 -7.828 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.361 -7.380 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.535 -9.120 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.259 -8.417 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.292 -5.844 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.316 -6.780 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.864 -6.471 -4.020 1.00 0.00 H new ATOM 995 N ALA A 68 5.487 -11.067 -6.022 1.00 0.00 N ATOM 996 CA ALA A 68 6.274 -12.285 -6.114 1.00 0.00 C ATOM 997 C ALA A 68 7.704 -12.000 -5.650 1.00 0.00 C ATOM 998 O ALA A 68 8.450 -11.293 -6.325 1.00 0.00 O ATOM 999 CB ALA A 68 6.222 -12.821 -7.546 1.00 0.00 C ATOM 0 H ALA A 68 5.279 -10.625 -6.918 1.00 0.00 H new ATOM 0 HA ALA A 68 5.863 -13.056 -5.462 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.813 -13.735 -7.614 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.188 -13.036 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.628 -12.075 -8.229 1.00 0.00 H new ATOM 1005 N ARG A 69 8.042 -12.564 -4.499 1.00 0.00 N ATOM 1006 CA ARG A 69 9.369 -12.378 -3.937 1.00 0.00 C ATOM 1007 C ARG A 69 9.549 -10.934 -3.465 1.00 0.00 C ATOM 1008 O ARG A 69 10.674 -10.478 -3.267 1.00 0.00 O ATOM 1009 CB ARG A 69 10.454 -12.711 -4.964 1.00 0.00 C ATOM 1010 CG ARG A 69 10.076 -13.949 -5.779 1.00 0.00 C ATOM 1011 CD ARG A 69 11.305 -14.815 -6.064 1.00 0.00 C ATOM 1012 NE ARG A 69 12.015 -14.308 -7.259 1.00 0.00 N ATOM 1013 CZ ARG A 69 12.974 -14.984 -7.906 1.00 0.00 C ATOM 1014 NH1 ARG A 69 13.343 -16.199 -7.477 1.00 0.00 N ATOM 1015 NH2 ARG A 69 13.563 -14.446 -8.983 1.00 0.00 N ATOM 0 H ARG A 69 7.420 -13.149 -3.941 1.00 0.00 H new ATOM 0 HA ARG A 69 9.467 -13.055 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.600 -11.862 -5.632 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.402 -12.882 -4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.333 -14.533 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.616 -13.643 -6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.973 -14.807 -5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.002 -15.850 -6.223 1.00 0.00 H new ATOM 0 HE ARG A 69 11.758 -13.386 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.894 -16.609 -6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.073 -16.714 -7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.281 -13.522 -9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.293 -14.961 -9.475 1.00 0.00 H new ATOM 1029 N ALA A 70 8.424 -10.255 -3.299 1.00 0.00 N ATOM 1030 CA ALA A 70 8.443 -8.872 -2.855 1.00 0.00 C ATOM 1031 C ALA A 70 8.685 -8.829 -1.345 1.00 0.00 C ATOM 1032 O ALA A 70 8.443 -9.812 -0.646 1.00 0.00 O ATOM 1033 CB ALA A 70 7.134 -8.188 -3.255 1.00 0.00 C ATOM 0 H ALA A 70 7.493 -10.637 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 70 9.255 -8.327 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.149 -7.150 -2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.024 -8.219 -4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.296 -8.707 -2.790 1.00 0.00 H new ATOM 1039 N GLN A 71 9.159 -7.681 -0.885 1.00 0.00 N ATOM 1040 CA GLN A 71 9.436 -7.497 0.529 1.00 0.00 C ATOM 1041 C GLN A 71 8.530 -6.410 1.111 1.00 0.00 C ATOM 1042 O GLN A 71 8.490 -5.292 0.600 1.00 0.00 O ATOM 1043 CB GLN A 71 10.911 -7.163 0.760 1.00 0.00 C ATOM 1044 CG GLN A 71 11.773 -8.427 0.713 1.00 0.00 C ATOM 1045 CD GLN A 71 12.868 -8.383 1.781 1.00 0.00 C ATOM 1046 OE1 GLN A 71 13.009 -7.426 2.524 1.00 0.00 O ATOM 1047 NE2 GLN A 71 13.634 -9.470 1.815 1.00 0.00 N ATOM 0 H GLN A 71 9.359 -6.868 -1.467 1.00 0.00 H new ATOM 0 HA GLN A 71 9.224 -8.433 1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.251 -6.458 0.001 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.030 -6.673 1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.146 -9.305 0.866 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.226 -8.526 -0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.462 -10.236 1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.394 -9.538 2.492 1.00 0.00 H new ATOM 1056 N GLY A 72 7.825 -6.777 2.171 1.00 0.00 N ATOM 1057 CA GLY A 72 6.922 -5.846 2.827 1.00 0.00 C ATOM 1058 C GLY A 72 7.343 -5.606 4.278 1.00 0.00 C ATOM 1059 O GLY A 72 7.278 -6.513 5.106 1.00 0.00 O ATOM 0 H GLY A 72 7.861 -7.705 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.913 -4.900 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.906 -6.239 2.799 1.00 0.00 H new ATOM 1063 N SER A 73 7.765 -4.378 4.542 1.00 0.00 N ATOM 1064 CA SER A 73 8.197 -4.006 5.879 1.00 0.00 C ATOM 1065 C SER A 73 7.643 -2.627 6.243 1.00 0.00 C ATOM 1066 O SER A 73 7.336 -1.825 5.363 1.00 0.00 O ATOM 1067 CB SER A 73 9.723 -4.009 5.986 1.00 0.00 C ATOM 1068 OG SER A 73 10.166 -4.377 7.289 1.00 0.00 O ATOM 0 H SER A 73 7.817 -3.628 3.853 1.00 0.00 H new ATOM 0 HA SER A 73 7.809 -4.744 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.136 -4.702 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.106 -3.019 5.739 1.00 0.00 H new ATOM 0 HG SER A 73 11.146 -4.369 7.316 1.00 0.00 H new ATOM 1074 N VAL A 74 7.531 -2.394 7.543 1.00 0.00 N ATOM 1075 CA VAL A 74 7.019 -1.126 8.034 1.00 0.00 C ATOM 1076 C VAL A 74 8.115 -0.064 7.931 1.00 0.00 C ATOM 1077 O VAL A 74 9.289 -0.393 7.772 1.00 0.00 O ATOM 1078 CB VAL A 74 6.481 -1.295 9.457 1.00 0.00 C ATOM 1079 CG1 VAL A 74 5.922 -2.704 9.668 1.00 0.00 C ATOM 1080 CG2 VAL A 74 7.560 -0.972 10.492 1.00 0.00 C ATOM 0 H VAL A 74 7.786 -3.062 8.271 1.00 0.00 H new ATOM 0 HA VAL A 74 6.182 -0.789 7.422 1.00 0.00 H new ATOM 0 HB VAL A 74 5.664 -0.587 9.593 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.546 -2.798 10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.109 -2.882 8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.712 -3.437 9.504 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.152 -1.100 11.495 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.407 -1.644 10.356 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.891 0.059 10.363 1.00 0.00 H new ATOM 1090 N ALA A 75 7.692 1.188 8.027 1.00 0.00 N ATOM 1091 CA ALA A 75 8.624 2.300 7.946 1.00 0.00 C ATOM 1092 C ALA A 75 8.434 3.208 9.164 1.00 0.00 C ATOM 1093 O ALA A 75 7.880 4.300 9.048 1.00 0.00 O ATOM 1094 CB ALA A 75 8.417 3.046 6.626 1.00 0.00 C ATOM 0 H ALA A 75 6.717 1.457 8.160 1.00 0.00 H new ATOM 0 HA ALA A 75 9.653 1.940 7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.116 3.880 6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.591 2.366 5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.396 3.425 6.578 1.00 0.00 H new ATOM 1100 N PHE A 76 8.905 2.722 10.303 1.00 0.00 N ATOM 1101 CA PHE A 76 8.794 3.475 11.541 1.00 0.00 C ATOM 1102 C PHE A 76 9.578 4.786 11.456 1.00 0.00 C ATOM 1103 O PHE A 76 9.178 5.792 12.041 1.00 0.00 O ATOM 1104 CB PHE A 76 9.393 2.606 12.648 1.00 0.00 C ATOM 1105 CG PHE A 76 8.513 1.424 13.057 1.00 0.00 C ATOM 1106 CD1 PHE A 76 7.189 1.614 13.301 1.00 0.00 C ATOM 1107 CD2 PHE A 76 9.055 0.182 13.175 1.00 0.00 C ATOM 1108 CE1 PHE A 76 6.372 0.516 13.681 1.00 0.00 C ATOM 1109 CE2 PHE A 76 8.238 -0.916 13.554 1.00 0.00 C ATOM 1110 CZ PHE A 76 6.914 -0.726 13.799 1.00 0.00 C ATOM 0 H PHE A 76 9.364 1.816 10.395 1.00 0.00 H new ATOM 0 HA PHE A 76 7.750 3.719 11.737 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.360 2.228 12.316 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.578 3.228 13.524 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.758 2.600 13.206 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.107 0.031 12.980 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.321 0.667 13.876 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.668 -1.902 13.648 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.293 -1.561 14.087 1.00 0.00 H new ATOM 1120 N ASP A 77 10.680 4.733 10.724 1.00 0.00 N ATOM 1121 CA ASP A 77 11.524 5.904 10.555 1.00 0.00 C ATOM 1122 C ASP A 77 10.647 7.118 10.241 1.00 0.00 C ATOM 1123 O ASP A 77 10.777 8.163 10.876 1.00 0.00 O ATOM 1124 CB ASP A 77 12.503 5.715 9.395 1.00 0.00 C ATOM 1125 CG ASP A 77 13.971 5.576 9.804 1.00 0.00 C ATOM 1126 OD1 ASP A 77 14.332 6.178 10.838 1.00 0.00 O ATOM 1127 OD2 ASP A 77 14.699 4.869 9.074 1.00 0.00 O ATOM 0 H ASP A 77 11.009 3.897 10.241 1.00 0.00 H new ATOM 0 HA ASP A 77 12.084 6.052 11.478 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.212 4.827 8.835 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.409 6.564 8.718 1.00 0.00 H new ATOM 1132 N TYR A 78 9.774 6.939 9.260 1.00 0.00 N ATOM 1133 CA TYR A 78 8.876 8.007 8.854 1.00 0.00 C ATOM 1134 C TYR A 78 8.137 8.590 10.060 1.00 0.00 C ATOM 1135 O TYR A 78 7.197 7.983 10.570 1.00 0.00 O ATOM 1136 CB TYR A 78 7.858 7.365 7.909 1.00 0.00 C ATOM 1137 CG TYR A 78 7.258 8.335 6.889 1.00 0.00 C ATOM 1138 CD1 TYR A 78 7.448 9.694 7.036 1.00 0.00 C ATOM 1139 CD2 TYR A 78 6.527 7.851 5.824 1.00 0.00 C ATOM 1140 CE1 TYR A 78 6.882 10.608 6.076 1.00 0.00 C ATOM 1141 CE2 TYR A 78 5.962 8.764 4.864 1.00 0.00 C ATOM 1142 CZ TYR A 78 6.168 10.097 5.038 1.00 0.00 C ATOM 1143 OH TYR A 78 5.634 10.960 4.131 1.00 0.00 O ATOM 0 H TYR A 78 9.670 6.071 8.735 1.00 0.00 H new ATOM 0 HA TYR A 78 9.432 8.817 8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.339 6.545 7.376 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.052 6.931 8.500 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.020 10.072 7.870 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.378 6.787 5.710 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.022 11.674 6.179 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.388 8.399 4.025 1.00 0.00 H new ATOM 0 HH TYR A 78 5.386 10.470 3.319 1.00 0.00 H new ATOM 1153 N ARG A 79 8.590 9.762 10.481 1.00 0.00 N ATOM 1154 CA ARG A 79 7.983 10.434 11.617 1.00 0.00 C ATOM 1155 C ARG A 79 6.647 11.061 11.212 1.00 0.00 C ATOM 1156 O ARG A 79 5.601 10.705 11.752 1.00 0.00 O ATOM 1157 CB ARG A 79 8.904 11.525 12.168 1.00 0.00 C ATOM 1158 CG ARG A 79 9.706 11.012 13.365 1.00 0.00 C ATOM 1159 CD ARG A 79 11.140 10.666 12.957 1.00 0.00 C ATOM 1160 NE ARG A 79 12.099 11.460 13.757 1.00 0.00 N ATOM 1161 CZ ARG A 79 13.430 11.328 13.680 1.00 0.00 C ATOM 1162 NH1 ARG A 79 13.968 10.434 12.840 1.00 0.00 N ATOM 1163 NH2 ARG A 79 14.224 12.092 14.444 1.00 0.00 N ATOM 0 H ARG A 79 9.370 10.263 10.056 1.00 0.00 H new ATOM 0 HA ARG A 79 7.817 9.687 12.394 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.585 11.860 11.386 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.311 12.390 12.466 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.720 11.769 14.149 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.220 10.130 13.782 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.323 9.602 13.106 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.284 10.868 11.896 1.00 0.00 H new ATOM 0 HE ARG A 79 11.723 12.150 14.407 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.364 9.853 12.258 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.981 10.334 12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.815 12.773 15.083 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.237 11.992 14.386 1.00 0.00 H new ATOM 1177 N LYS A 80 6.726 11.984 10.264 1.00 0.00 N ATOM 1178 CA LYS A 80 5.537 12.663 9.780 1.00 0.00 C ATOM 1179 C LYS A 80 4.395 11.653 9.649 1.00 0.00 C ATOM 1180 O LYS A 80 3.607 11.478 10.577 1.00 0.00 O ATOM 1181 CB LYS A 80 5.841 13.419 8.485 1.00 0.00 C ATOM 1182 CG LYS A 80 6.761 14.612 8.749 1.00 0.00 C ATOM 1183 CD LYS A 80 7.483 15.042 7.471 1.00 0.00 C ATOM 1184 CE LYS A 80 8.970 14.687 7.536 1.00 0.00 C ATOM 1185 NZ LYS A 80 9.755 15.834 8.048 1.00 0.00 N ATOM 0 H LYS A 80 7.596 12.277 9.819 1.00 0.00 H new ATOM 0 HA LYS A 80 5.213 13.419 10.495 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.310 12.745 7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.911 13.765 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.178 15.446 9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.493 14.349 9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.026 14.555 6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.368 16.116 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.115 13.822 8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.327 14.408 6.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.762 15.576 8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.630 16.650 7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.425 16.082 9.003 1.00 0.00 H new ATOM 1199 N ARG A 81 4.343 11.014 8.489 1.00 0.00 N ATOM 1200 CA ARG A 81 3.311 10.026 8.225 1.00 0.00 C ATOM 1201 C ARG A 81 3.481 8.820 9.151 1.00 0.00 C ATOM 1202 O ARG A 81 4.459 8.081 9.040 1.00 0.00 O ATOM 1203 CB ARG A 81 3.359 9.555 6.770 1.00 0.00 C ATOM 1204 CG ARG A 81 2.942 10.676 5.816 1.00 0.00 C ATOM 1205 CD ARG A 81 2.764 10.146 4.392 1.00 0.00 C ATOM 1206 NE ARG A 81 2.849 11.262 3.423 1.00 0.00 N ATOM 1207 CZ ARG A 81 1.836 12.093 3.145 1.00 0.00 C ATOM 1208 NH1 ARG A 81 0.655 11.941 3.760 1.00 0.00 N ATOM 1209 NH2 ARG A 81 2.003 13.078 2.252 1.00 0.00 N ATOM 0 H ARG A 81 4.999 11.161 7.722 1.00 0.00 H new ATOM 0 HA ARG A 81 2.346 10.497 8.411 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.367 9.221 6.525 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.699 8.698 6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.010 11.124 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.695 11.464 5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.531 9.404 4.173 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.800 9.645 4.299 1.00 0.00 H new ATOM 0 HE ARG A 81 3.734 11.407 2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.527 11.192 4.440 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.116 12.574 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.902 13.195 1.784 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.231 13.711 2.040 1.00 0.00 H new ATOM 1223 N LYS A 82 2.515 8.658 10.043 1.00 0.00 N ATOM 1224 CA LYS A 82 2.546 7.554 10.987 1.00 0.00 C ATOM 1225 C LYS A 82 1.965 6.304 10.323 1.00 0.00 C ATOM 1226 O LYS A 82 1.421 6.378 9.223 1.00 0.00 O ATOM 1227 CB LYS A 82 1.842 7.942 12.289 1.00 0.00 C ATOM 1228 CG LYS A 82 2.722 8.866 13.134 1.00 0.00 C ATOM 1229 CD LYS A 82 3.704 8.060 13.986 1.00 0.00 C ATOM 1230 CE LYS A 82 3.712 8.558 15.432 1.00 0.00 C ATOM 1231 NZ LYS A 82 4.431 7.603 16.306 1.00 0.00 N ATOM 0 H LYS A 82 1.706 9.273 10.132 1.00 0.00 H new ATOM 0 HA LYS A 82 3.574 7.320 11.265 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.899 8.439 12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.600 7.044 12.858 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.272 9.545 12.483 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.095 9.481 13.779 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.431 7.005 13.962 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.706 8.139 13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.189 9.537 15.483 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.688 8.684 15.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.427 7.957 17.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.959 6.677 16.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.413 7.504 15.978 1.00 0.00 H new ATOM 1245 N HIS A 83 2.101 5.185 11.020 1.00 0.00 N ATOM 1246 CA HIS A 83 1.597 3.921 10.512 1.00 0.00 C ATOM 1247 C HIS A 83 1.862 3.830 9.008 1.00 0.00 C ATOM 1248 O HIS A 83 0.929 3.708 8.215 1.00 0.00 O ATOM 1249 CB HIS A 83 0.118 3.745 10.865 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.412 4.783 11.825 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -0.204 4.715 13.192 1.00 0.00 N ATOM 1252 CD2 HIS A 83 -1.142 5.913 11.602 1.00 0.00 C ATOM 1253 CE1 HIS A 83 -0.788 5.762 13.756 1.00 0.00 C ATOM 1254 NE2 HIS A 83 -1.369 6.503 12.769 1.00 0.00 N ATOM 0 H HIS A 83 2.553 5.128 11.933 1.00 0.00 H new ATOM 0 HA HIS A 83 2.126 3.096 10.989 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.470 3.779 9.948 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.026 2.756 11.300 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.478 6.268 10.639 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.802 5.989 14.812 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.892 7.368 12.905 1.00 0.00 H new ATOM 1262 N VAL A 84 3.139 3.893 8.659 1.00 0.00 N ATOM 1263 CA VAL A 84 3.539 3.819 7.265 1.00 0.00 C ATOM 1264 C VAL A 84 4.554 2.688 7.089 1.00 0.00 C ATOM 1265 O VAL A 84 5.460 2.530 7.905 1.00 0.00 O ATOM 1266 CB VAL A 84 4.069 5.177 6.800 1.00 0.00 C ATOM 1267 CG1 VAL A 84 4.677 5.078 5.399 1.00 0.00 C ATOM 1268 CG2 VAL A 84 2.970 6.240 6.847 1.00 0.00 C ATOM 0 H VAL A 84 3.910 3.995 9.319 1.00 0.00 H new ATOM 0 HA VAL A 84 2.682 3.586 6.633 1.00 0.00 H new ATOM 0 HB VAL A 84 4.859 5.481 7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.046 6.057 5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.502 4.366 5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.916 4.740 4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.373 7.195 6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.149 5.944 6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.604 6.340 7.869 1.00 0.00 H new ATOM 1278 N PHE A 85 4.369 1.930 6.018 1.00 0.00 N ATOM 1279 CA PHE A 85 5.257 0.819 5.725 1.00 0.00 C ATOM 1280 C PHE A 85 5.823 0.928 4.307 1.00 0.00 C ATOM 1281 O PHE A 85 5.161 1.448 3.410 1.00 0.00 O ATOM 1282 CB PHE A 85 4.424 -0.460 5.832 1.00 0.00 C ATOM 1283 CG PHE A 85 3.205 -0.488 4.907 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.144 0.324 5.157 1.00 0.00 C ATOM 1285 CD2 PHE A 85 3.184 -1.325 3.835 1.00 0.00 C ATOM 1286 CE1 PHE A 85 1.012 0.299 4.300 1.00 0.00 C ATOM 1287 CE2 PHE A 85 2.053 -1.350 2.977 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.991 -0.538 3.228 1.00 0.00 C ATOM 0 H PHE A 85 3.617 2.064 5.343 1.00 0.00 H new ATOM 0 HA PHE A 85 6.095 0.819 6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.060 -1.316 5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.088 -0.578 6.862 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.162 0.989 6.008 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.027 -1.970 3.637 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.169 0.944 4.499 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.036 -2.014 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.130 -0.558 2.576 1.00 0.00 H new ATOM 1298 N LYS A 86 7.040 0.430 4.150 1.00 0.00 N ATOM 1299 CA LYS A 86 7.702 0.465 2.857 1.00 0.00 C ATOM 1300 C LYS A 86 7.562 -0.900 2.180 1.00 0.00 C ATOM 1301 O LYS A 86 7.793 -1.933 2.805 1.00 0.00 O ATOM 1302 CB LYS A 86 9.152 0.930 3.009 1.00 0.00 C ATOM 1303 CG LYS A 86 9.849 1.006 1.650 1.00 0.00 C ATOM 1304 CD LYS A 86 11.314 1.418 1.807 1.00 0.00 C ATOM 1305 CE LYS A 86 11.539 2.845 1.302 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.946 3.254 1.515 1.00 0.00 N ATOM 0 H LYS A 86 7.585 -0.000 4.897 1.00 0.00 H new ATOM 0 HA LYS A 86 7.224 1.196 2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.175 1.908 3.489 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.692 0.243 3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.791 0.038 1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.332 1.723 1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.605 1.349 2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.951 0.728 1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.293 2.905 0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.872 3.531 1.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.008 4.292 1.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.284 2.876 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.536 2.881 0.744 1.00 0.00 H new ATOM 1320 N LEU A 87 7.184 -0.859 0.911 1.00 0.00 N ATOM 1321 CA LEU A 87 7.011 -2.080 0.142 1.00 0.00 C ATOM 1322 C LEU A 87 8.051 -2.124 -0.979 1.00 0.00 C ATOM 1323 O LEU A 87 7.979 -1.345 -1.928 1.00 0.00 O ATOM 1324 CB LEU A 87 5.568 -2.201 -0.353 1.00 0.00 C ATOM 1325 CG LEU A 87 5.276 -3.375 -1.289 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.421 -4.710 -0.556 1.00 0.00 C ATOM 1327 CD2 LEU A 87 3.901 -3.227 -1.943 1.00 0.00 C ATOM 0 H LEU A 87 6.993 0.000 0.396 1.00 0.00 H new ATOM 0 HA LEU A 87 7.183 -2.954 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.913 -2.282 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.303 -1.277 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 87 6.016 -3.365 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.208 -5.528 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.439 -4.809 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.720 -4.745 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.719 -4.075 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.132 -3.197 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.871 -2.304 -2.521 1.00 0.00 H new ATOM 1339 N GLY A 88 8.994 -3.043 -0.832 1.00 0.00 N ATOM 1340 CA GLY A 88 10.047 -3.199 -1.821 1.00 0.00 C ATOM 1341 C GLY A 88 9.846 -4.476 -2.640 1.00 0.00 C ATOM 1342 O GLY A 88 9.927 -5.580 -2.104 1.00 0.00 O ATOM 0 H GLY A 88 9.051 -3.687 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.058 -2.335 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.016 -3.231 -1.323 1.00 0.00 H new ATOM 1346 N LEU A 89 9.588 -4.282 -3.925 1.00 0.00 N ATOM 1347 CA LEU A 89 9.375 -5.404 -4.823 1.00 0.00 C ATOM 1348 C LEU A 89 10.722 -6.052 -5.151 1.00 0.00 C ATOM 1349 O LEU A 89 11.774 -5.468 -4.896 1.00 0.00 O ATOM 1350 CB LEU A 89 8.589 -4.960 -6.058 1.00 0.00 C ATOM 1351 CG LEU A 89 7.338 -4.121 -5.791 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.382 -4.167 -6.984 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.655 -4.553 -4.492 1.00 0.00 C ATOM 0 H LEU A 89 9.522 -3.364 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 89 8.763 -6.167 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.256 -4.387 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.294 -5.849 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 89 7.644 -3.083 -5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.501 -3.562 -6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.884 -3.774 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.079 -5.198 -7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.769 -3.941 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.364 -5.601 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.345 -4.426 -3.658 1.00 0.00 H new ATOM 1365 N GLN A 90 10.645 -7.250 -5.712 1.00 0.00 N ATOM 1366 CA GLN A 90 11.845 -7.983 -6.078 1.00 0.00 C ATOM 1367 C GLN A 90 12.557 -7.289 -7.241 1.00 0.00 C ATOM 1368 O GLN A 90 13.771 -7.415 -7.394 1.00 0.00 O ATOM 1369 CB GLN A 90 11.515 -9.436 -6.425 1.00 0.00 C ATOM 1370 CG GLN A 90 10.474 -9.510 -7.543 1.00 0.00 C ATOM 1371 CD GLN A 90 10.519 -10.869 -8.245 1.00 0.00 C ATOM 1372 OE1 GLN A 90 11.385 -11.693 -8.004 1.00 0.00 O ATOM 1373 NE2 GLN A 90 9.539 -11.056 -9.125 1.00 0.00 N ATOM 0 H GLN A 90 9.770 -7.731 -5.922 1.00 0.00 H new ATOM 0 HA GLN A 90 12.517 -7.993 -5.220 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.423 -9.955 -6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.140 -9.949 -5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.479 -9.343 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.656 -8.716 -8.267 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.845 -10.324 -9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.481 -11.931 -9.646 1.00 0.00 H new ATOM 1382 N ASP A 91 11.771 -6.573 -8.031 1.00 0.00 N ATOM 1383 CA ASP A 91 12.311 -5.859 -9.176 1.00 0.00 C ATOM 1384 C ASP A 91 13.047 -4.608 -8.691 1.00 0.00 C ATOM 1385 O ASP A 91 13.636 -3.882 -9.489 1.00 0.00 O ATOM 1386 CB ASP A 91 11.196 -5.414 -10.123 1.00 0.00 C ATOM 1387 CG ASP A 91 11.630 -5.187 -11.573 1.00 0.00 C ATOM 1388 OD1 ASP A 91 12.850 -5.298 -11.823 1.00 0.00 O ATOM 1389 OD2 ASP A 91 10.733 -4.909 -12.397 1.00 0.00 O ATOM 0 H ASP A 91 10.764 -6.472 -7.901 1.00 0.00 H new ATOM 0 HA ASP A 91 12.986 -6.532 -9.705 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.407 -6.166 -10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.762 -4.490 -9.741 1.00 0.00 H new ATOM 1394 N GLY A 92 12.990 -4.396 -7.384 1.00 0.00 N ATOM 1395 CA GLY A 92 13.644 -3.246 -6.783 1.00 0.00 C ATOM 1396 C GLY A 92 12.703 -2.040 -6.743 1.00 0.00 C ATOM 1397 O GLY A 92 13.155 -0.896 -6.745 1.00 0.00 O ATOM 0 H GLY A 92 12.501 -5.001 -6.725 1.00 0.00 H new ATOM 0 HA2 GLY A 92 13.967 -3.494 -5.772 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.540 -2.994 -7.351 1.00 0.00 H new ATOM 1401 N LYS A 93 11.412 -2.337 -6.707 1.00 0.00 N ATOM 1402 CA LYS A 93 10.404 -1.291 -6.666 1.00 0.00 C ATOM 1403 C LYS A 93 10.031 -1.006 -5.210 1.00 0.00 C ATOM 1404 O LYS A 93 9.376 -1.820 -4.562 1.00 0.00 O ATOM 1405 CB LYS A 93 9.209 -1.664 -7.546 1.00 0.00 C ATOM 1406 CG LYS A 93 9.206 -0.850 -8.841 1.00 0.00 C ATOM 1407 CD LYS A 93 7.882 -1.015 -9.589 1.00 0.00 C ATOM 1408 CE LYS A 93 8.109 -1.604 -10.983 1.00 0.00 C ATOM 1409 NZ LYS A 93 9.101 -2.701 -10.926 1.00 0.00 N ATOM 0 H LYS A 93 11.041 -3.287 -6.705 1.00 0.00 H new ATOM 0 HA LYS A 93 10.799 -0.364 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.244 -2.728 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.282 -1.489 -7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.370 0.203 -8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.030 -1.171 -9.478 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.217 -1.665 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.386 -0.048 -9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.167 -1.978 -11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.458 -0.825 -11.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.885 -3.403 -11.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.054 -2.316 -11.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.062 -3.156 -9.992 1.00 0.00 H new ATOM 1423 N GLU A 94 10.464 0.154 -4.738 1.00 0.00 N ATOM 1424 CA GLU A 94 10.183 0.558 -3.371 1.00 0.00 C ATOM 1425 C GLU A 94 9.037 1.570 -3.341 1.00 0.00 C ATOM 1426 O GLU A 94 9.158 2.667 -3.884 1.00 0.00 O ATOM 1427 CB GLU A 94 11.435 1.126 -2.699 1.00 0.00 C ATOM 1428 CG GLU A 94 11.670 0.473 -1.336 1.00 0.00 C ATOM 1429 CD GLU A 94 13.107 0.697 -0.861 1.00 0.00 C ATOM 1430 OE1 GLU A 94 13.455 1.878 -0.643 1.00 0.00 O ATOM 1431 OE2 GLU A 94 13.825 -0.318 -0.727 1.00 0.00 O ATOM 0 H GLU A 94 11.008 0.827 -5.278 1.00 0.00 H new ATOM 0 HA GLU A 94 9.877 -0.324 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.302 0.962 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.329 2.204 -2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.973 0.886 -0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.467 -0.596 -1.401 1.00 0.00 H new ATOM 1438 N TYR A 95 7.949 1.166 -2.701 1.00 0.00 N ATOM 1439 CA TYR A 95 6.782 2.025 -2.593 1.00 0.00 C ATOM 1440 C TYR A 95 6.505 2.393 -1.134 1.00 0.00 C ATOM 1441 O TYR A 95 6.951 1.702 -0.220 1.00 0.00 O ATOM 1442 CB TYR A 95 5.606 1.207 -3.132 1.00 0.00 C ATOM 1443 CG TYR A 95 5.591 1.068 -4.656 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.157 2.118 -5.440 1.00 0.00 C ATOM 1445 CD2 TYR A 95 6.011 -0.106 -5.246 1.00 0.00 C ATOM 1446 CE1 TYR A 95 5.143 1.987 -6.874 1.00 0.00 C ATOM 1447 CE2 TYR A 95 5.997 -0.237 -6.680 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.563 0.816 -7.423 1.00 0.00 C ATOM 1449 OH TYR A 95 5.550 0.693 -8.777 1.00 0.00 O ATOM 0 H TYR A 95 7.851 0.255 -2.252 1.00 0.00 H new ATOM 0 HA TYR A 95 6.935 2.952 -3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.634 0.212 -2.687 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.675 1.674 -2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.828 3.037 -4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.350 -0.927 -4.632 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.806 2.801 -7.499 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.324 -1.151 -7.154 1.00 0.00 H new ATOM 0 HH TYR A 95 5.692 1.572 -9.187 1.00 0.00 H new ATOM 1459 N LEU A 96 5.771 3.483 -0.962 1.00 0.00 N ATOM 1460 CA LEU A 96 5.430 3.952 0.371 1.00 0.00 C ATOM 1461 C LEU A 96 3.910 4.089 0.485 1.00 0.00 C ATOM 1462 O LEU A 96 3.295 4.856 -0.255 1.00 0.00 O ATOM 1463 CB LEU A 96 6.189 5.239 0.696 1.00 0.00 C ATOM 1464 CG LEU A 96 7.608 5.061 1.240 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.239 6.413 1.580 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.622 4.106 2.435 1.00 0.00 C ATOM 0 H LEU A 96 5.403 4.054 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 96 5.743 3.226 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.241 5.845 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.610 5.805 1.426 1.00 0.00 H new ATOM 0 HG LEU A 96 8.218 4.608 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.247 6.258 1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.284 7.030 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.636 6.916 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.643 3.997 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.992 4.507 3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.242 3.132 2.127 1.00 0.00 H new ATOM 1478 N PHE A 97 3.348 3.333 1.417 1.00 0.00 N ATOM 1479 CA PHE A 97 1.912 3.360 1.637 1.00 0.00 C ATOM 1480 C PHE A 97 1.586 3.758 3.078 1.00 0.00 C ATOM 1481 O PHE A 97 2.066 3.132 4.022 1.00 0.00 O ATOM 1482 CB PHE A 97 1.393 1.944 1.381 1.00 0.00 C ATOM 1483 CG PHE A 97 1.605 1.453 -0.053 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.712 1.783 -1.024 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.687 0.687 -0.356 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.909 1.328 -2.354 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.884 0.232 -1.687 1.00 0.00 C ATOM 1488 CZ PHE A 97 1.991 0.562 -2.657 1.00 0.00 C ATOM 0 H PHE A 97 3.861 2.698 2.028 1.00 0.00 H new ATOM 0 HA PHE A 97 1.447 4.089 0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.889 1.257 2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.328 1.911 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.147 2.391 -0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.396 0.425 0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.200 1.590 -3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.743 -0.376 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.141 0.216 -3.669 1.00 0.00 H new ATOM 1498 N GLN A 98 0.772 4.796 3.202 1.00 0.00 N ATOM 1499 CA GLN A 98 0.376 5.284 4.512 1.00 0.00 C ATOM 1500 C GLN A 98 -1.009 4.749 4.882 1.00 0.00 C ATOM 1501 O GLN A 98 -1.999 5.074 4.228 1.00 0.00 O ATOM 1502 CB GLN A 98 0.404 6.813 4.559 1.00 0.00 C ATOM 1503 CG GLN A 98 -0.093 7.329 5.911 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.553 8.784 5.807 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -1.020 9.243 4.777 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.395 9.483 6.928 1.00 0.00 N ATOM 0 H GLN A 98 0.376 5.313 2.417 1.00 0.00 H new ATOM 0 HA GLN A 98 1.093 4.918 5.246 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.419 7.167 4.381 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.219 7.216 3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.917 6.707 6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.704 7.248 6.650 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.002 9.038 7.755 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.671 10.464 6.960 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.034 3.936 5.928 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.281 3.353 6.392 1.00 0.00 C ATOM 1517 C ALA A 99 -3.058 4.395 7.200 1.00 0.00 C ATOM 1518 O ALA A 99 -2.575 5.507 7.412 1.00 0.00 O ATOM 1519 CB ALA A 99 -1.984 2.090 7.204 1.00 0.00 C ATOM 0 H ALA A 99 -0.211 3.667 6.467 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.904 3.059 5.547 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.920 1.653 7.552 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.458 1.370 6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.362 2.347 8.062 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.248 4.000 7.627 1.00 0.00 N ATOM 1526 CA LYS A 100 -5.096 4.886 8.406 1.00 0.00 C ATOM 1527 C LYS A 100 -4.681 4.818 9.878 1.00 0.00 C ATOM 1528 O LYS A 100 -4.629 5.841 10.559 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.572 4.562 8.168 1.00 0.00 C ATOM 1530 CG LYS A 100 -7.111 3.630 9.255 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.581 3.287 9.003 1.00 0.00 C ATOM 1532 CE LYS A 100 -8.971 1.991 9.716 1.00 0.00 C ATOM 1533 NZ LYS A 100 -10.441 1.905 9.867 1.00 0.00 N ATOM 0 H LYS A 100 -4.645 3.078 7.448 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.965 5.919 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.153 5.484 8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.692 4.095 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.519 2.715 9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.007 4.105 10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.214 4.103 9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.756 3.184 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.607 1.134 9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.496 1.951 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.689 1.019 10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.780 2.713 10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.888 1.922 8.928 1.00 0.00 H new ATOM 1547 N ASP A 101 -4.397 3.604 10.324 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.989 3.389 11.702 1.00 0.00 C ATOM 1549 C ASP A 101 -3.058 2.177 11.771 1.00 0.00 C ATOM 1550 O ASP A 101 -2.812 1.520 10.760 1.00 0.00 O ATOM 1551 CB ASP A 101 -5.197 3.108 12.597 1.00 0.00 C ATOM 1552 CG ASP A 101 -6.202 4.258 12.707 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.734 5.414 12.791 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -7.414 3.954 12.706 1.00 0.00 O ATOM 0 H ASP A 101 -4.441 2.758 9.756 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.485 4.291 12.049 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.715 2.228 12.217 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.840 2.861 13.597 1.00 0.00 H new ATOM 1559 N GLU A 102 -2.565 1.917 12.973 1.00 0.00 N ATOM 1560 CA GLU A 102 -1.666 0.796 13.187 1.00 0.00 C ATOM 1561 C GLU A 102 -2.279 -0.490 12.627 1.00 0.00 C ATOM 1562 O GLU A 102 -1.603 -1.257 11.943 1.00 0.00 O ATOM 1563 CB GLU A 102 -1.326 0.641 14.671 1.00 0.00 C ATOM 1564 CG GLU A 102 -0.390 1.757 15.138 1.00 0.00 C ATOM 1565 CD GLU A 102 -0.106 1.642 16.637 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -1.064 1.848 17.414 1.00 0.00 O ATOM 1567 OE2 GLU A 102 1.062 1.351 16.973 1.00 0.00 O ATOM 0 H GLU A 102 -2.771 2.464 13.809 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.736 0.994 12.654 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.242 0.659 15.261 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.856 -0.328 14.841 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.546 1.708 14.582 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.838 2.727 14.922 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.552 -0.685 12.938 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.263 -1.864 12.475 1.00 0.00 C ATOM 1576 C ALA A 103 -4.154 -1.955 10.952 1.00 0.00 C ATOM 1577 O ALA A 103 -3.510 -2.861 10.425 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.715 -1.805 12.953 1.00 0.00 C ATOM 0 H ALA A 103 -4.109 -0.046 13.505 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.819 -2.768 12.892 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.249 -2.690 12.606 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.738 -1.772 14.042 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.194 -0.912 12.552 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.793 -1.003 10.287 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.775 -0.965 8.835 1.00 0.00 C ATOM 1586 C GLU A 104 -3.389 -1.344 8.310 1.00 0.00 C ATOM 1587 O GLU A 104 -3.268 -2.160 7.397 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.199 0.412 8.318 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.263 0.427 6.789 1.00 0.00 C ATOM 1590 CD GLU A 104 -6.678 0.745 6.303 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.570 -0.091 6.566 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -6.837 1.817 5.679 1.00 0.00 O ATOM 0 H GLU A 104 -5.326 -0.253 10.727 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.494 -1.695 8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.174 0.675 8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.493 1.167 8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.566 1.169 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.950 -0.541 6.399 1.00 0.00 H new ATOM 1599 N MET A 105 -2.377 -0.734 8.910 1.00 0.00 N ATOM 1600 CA MET A 105 -1.004 -0.998 8.515 1.00 0.00 C ATOM 1601 C MET A 105 -0.629 -2.458 8.776 1.00 0.00 C ATOM 1602 O MET A 105 -0.430 -3.229 7.839 1.00 0.00 O ATOM 1603 CB MET A 105 -0.062 -0.081 9.298 1.00 0.00 C ATOM 1604 CG MET A 105 1.342 -0.090 8.691 1.00 0.00 C ATOM 1605 SD MET A 105 2.464 0.828 9.732 1.00 0.00 S ATOM 1606 CE MET A 105 3.400 -0.516 10.441 1.00 0.00 C ATOM 0 H MET A 105 -2.481 -0.058 9.667 1.00 0.00 H new ATOM 0 HA MET A 105 -0.910 -0.804 7.447 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.455 0.936 9.298 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.015 -0.405 10.338 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.693 -1.116 8.581 1.00 0.00 H new ATOM 0 HG3 MET A 105 1.318 0.348 7.693 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.288 -0.121 10.934 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.785 -1.043 11.170 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.700 -1.206 9.653 1.00 0.00 H new ATOM 1616 N SER A 106 -0.544 -2.794 10.055 1.00 0.00 N ATOM 1617 CA SER A 106 -0.196 -4.148 10.452 1.00 0.00 C ATOM 1618 C SER A 106 -0.930 -5.157 9.566 1.00 0.00 C ATOM 1619 O SER A 106 -0.324 -6.100 9.060 1.00 0.00 O ATOM 1620 CB SER A 106 -0.530 -4.393 11.925 1.00 0.00 C ATOM 1621 OG SER A 106 0.634 -4.685 12.694 1.00 0.00 O ATOM 0 H SER A 106 -0.710 -2.152 10.830 1.00 0.00 H new ATOM 0 HA SER A 106 0.879 -4.277 10.325 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.025 -3.513 12.336 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.234 -5.221 12.004 1.00 0.00 H new ATOM 0 HG SER A 106 0.380 -4.833 13.629 1.00 0.00 H new ATOM 1627 N SER A 107 -2.225 -4.925 9.406 1.00 0.00 N ATOM 1628 CA SER A 107 -3.047 -5.802 8.591 1.00 0.00 C ATOM 1629 C SER A 107 -2.446 -5.931 7.190 1.00 0.00 C ATOM 1630 O SER A 107 -2.175 -7.038 6.726 1.00 0.00 O ATOM 1631 CB SER A 107 -4.485 -5.286 8.506 1.00 0.00 C ATOM 1632 OG SER A 107 -5.412 -6.189 9.103 1.00 0.00 O ATOM 0 H SER A 107 -2.725 -4.142 9.827 1.00 0.00 H new ATOM 0 HA SER A 107 -3.069 -6.785 9.061 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.552 -4.317 9.001 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.753 -5.129 7.461 1.00 0.00 H new ATOM 0 HG SER A 107 -6.318 -5.823 9.030 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.253 -4.784 6.556 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.689 -4.755 5.217 1.00 0.00 C ATOM 1640 C TRP A 108 -0.502 -5.720 5.183 1.00 0.00 C ATOM 1641 O TRP A 108 -0.544 -6.736 4.491 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.310 -3.328 4.813 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.419 -2.576 4.074 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.123 -1.519 4.500 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -2.924 -2.868 2.754 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.042 -1.110 3.555 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -3.917 -1.956 2.460 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.554 -3.869 1.839 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.622 -1.954 1.251 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.268 -3.854 0.635 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.271 -2.943 0.324 1.00 0.00 C ATOM 0 H TRP A 108 -2.477 -3.868 6.945 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.424 -5.081 4.482 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.039 -2.768 5.708 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.424 -3.364 4.179 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.988 -1.046 5.462 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.693 -0.330 3.644 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.780 -4.593 2.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.395 -1.229 1.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.023 -4.602 -0.104 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.777 -2.998 -0.628 1.00 0.00 H new ATOM 1662 N LEU A 109 0.527 -5.370 5.940 1.00 0.00 N ATOM 1663 CA LEU A 109 1.723 -6.193 6.005 1.00 0.00 C ATOM 1664 C LEU A 109 1.318 -7.665 6.098 1.00 0.00 C ATOM 1665 O LEU A 109 1.787 -8.492 5.317 1.00 0.00 O ATOM 1666 CB LEU A 109 2.630 -5.730 7.147 1.00 0.00 C ATOM 1667 CG LEU A 109 3.493 -4.499 6.862 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.787 -4.890 6.147 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.703 -3.445 6.083 1.00 0.00 C ATOM 0 H LEU A 109 0.558 -4.527 6.514 1.00 0.00 H new ATOM 0 HA LEU A 109 2.313 -6.081 5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.007 -5.519 8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.288 -6.555 7.419 1.00 0.00 H new ATOM 0 HG LEU A 109 3.775 -4.051 7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.382 -3.997 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.355 -5.577 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.548 -5.375 5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.339 -2.580 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.371 -3.867 5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.835 -3.136 6.666 1.00 0.00 H new ATOM 1681 N ARG A 110 0.453 -7.948 7.060 1.00 0.00 N ATOM 1682 CA ARG A 110 -0.020 -9.307 7.266 1.00 0.00 C ATOM 1683 C ARG A 110 -0.628 -9.858 5.975 1.00 0.00 C ATOM 1684 O ARG A 110 -0.480 -11.041 5.670 1.00 0.00 O ATOM 1685 CB ARG A 110 -1.068 -9.363 8.379 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.775 -10.720 8.399 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.753 -10.811 9.572 1.00 0.00 C ATOM 1688 NE ARG A 110 -3.028 -12.230 9.892 1.00 0.00 N ATOM 1689 CZ ARG A 110 -4.100 -12.651 10.577 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -5.004 -11.766 11.018 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -4.267 -13.958 10.821 1.00 0.00 N ATOM 0 H ARG A 110 0.067 -7.260 7.706 1.00 0.00 H new ATOM 0 HA ARG A 110 0.836 -9.915 7.558 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.591 -9.184 9.342 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.801 -8.569 8.234 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.311 -10.869 7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.036 -11.518 8.474 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.336 -10.307 10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.682 -10.299 9.322 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.360 -12.931 9.571 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.876 -10.771 10.832 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.820 -12.087 11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.578 -14.632 10.485 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.083 -14.279 11.342 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.300 -8.975 5.250 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.931 -9.359 3.999 1.00 0.00 C ATOM 1707 C VAL A 111 -0.866 -9.460 2.905 1.00 0.00 C ATOM 1708 O VAL A 111 -0.698 -10.513 2.292 1.00 0.00 O ATOM 1709 CB VAL A 111 -3.050 -8.375 3.654 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.884 -8.883 2.476 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -3.933 -8.100 4.873 1.00 0.00 C ATOM 0 H VAL A 111 -1.421 -7.995 5.505 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.396 -10.340 4.092 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.588 -7.434 3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.672 -8.164 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.244 -9.004 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.331 -9.843 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.721 -7.397 4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.381 -9.033 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.327 -7.674 5.672 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.173 -8.350 2.694 1.00 0.00 N ATOM 1722 CA VAL A 112 0.871 -8.300 1.685 1.00 0.00 C ATOM 1723 C VAL A 112 1.794 -9.509 1.853 1.00 0.00 C ATOM 1724 O VAL A 112 2.214 -10.115 0.868 1.00 0.00 O ATOM 1725 CB VAL A 112 1.614 -6.965 1.767 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.780 -6.925 0.777 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.660 -5.792 1.537 1.00 0.00 C ATOM 0 H VAL A 112 -0.314 -7.479 3.205 1.00 0.00 H new ATOM 0 HA VAL A 112 0.440 -8.356 0.685 1.00 0.00 H new ATOM 0 HB VAL A 112 2.024 -6.871 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.291 -5.966 0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.480 -7.729 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.401 -7.052 -0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.213 -4.855 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.207 -5.880 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.121 -5.804 2.297 1.00 0.00 H new ATOM 1737 N ASN A 113 2.083 -9.824 3.107 1.00 0.00 N ATOM 1738 CA ASN A 113 2.949 -10.949 3.416 1.00 0.00 C ATOM 1739 C ASN A 113 2.220 -12.253 3.085 1.00 0.00 C ATOM 1740 O ASN A 113 2.832 -13.206 2.605 1.00 0.00 O ATOM 1741 CB ASN A 113 3.311 -10.974 4.902 1.00 0.00 C ATOM 1742 CG ASN A 113 4.583 -10.167 5.170 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.680 -10.695 5.247 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.375 -8.860 5.308 1.00 0.00 N ATOM 0 H ASN A 113 1.733 -9.319 3.921 1.00 0.00 H new ATOM 0 HA ASN A 113 3.859 -10.846 2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.487 -10.566 5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.454 -12.004 5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.160 -8.235 5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.430 -8.483 5.232 1.00 0.00 H new ATOM 1751 N ALA A 114 0.923 -12.254 3.355 1.00 0.00 N ATOM 1752 CA ALA A 114 0.104 -13.425 3.092 1.00 0.00 C ATOM 1753 C ALA A 114 -0.050 -13.605 1.581 1.00 0.00 C ATOM 1754 O ALA A 114 -0.449 -14.672 1.116 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.243 -13.277 3.803 1.00 0.00 C ATOM 0 H ALA A 114 0.419 -11.462 3.753 1.00 0.00 H new ATOM 0 HA ALA A 114 0.581 -14.323 3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.857 -14.156 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.079 -13.183 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.753 -12.387 3.434 1.00 0.00 H new ATOM 1761 N ALA A 115 0.273 -12.545 0.855 1.00 0.00 N ATOM 1762 CA ALA A 115 0.175 -12.572 -0.595 1.00 0.00 C ATOM 1763 C ALA A 115 1.525 -12.984 -1.185 1.00 0.00 C ATOM 1764 O ALA A 115 1.588 -13.847 -2.059 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.290 -11.206 -1.101 1.00 0.00 C ATOM 0 H ALA A 115 0.603 -11.662 1.244 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.563 -13.307 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.363 -11.226 -2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.266 -10.974 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.428 -10.443 -0.800 1.00 0.00 H new ATOM 1771 N ILE A 116 2.573 -12.347 -0.684 1.00 0.00 N ATOM 1772 CA ILE A 116 3.919 -12.636 -1.151 1.00 0.00 C ATOM 1773 C ILE A 116 4.169 -14.143 -1.071 1.00 0.00 C ATOM 1774 O ILE A 116 4.411 -14.790 -2.089 1.00 0.00 O ATOM 1775 CB ILE A 116 4.944 -11.801 -0.381 1.00 0.00 C ATOM 1776 CG1 ILE A 116 4.902 -10.337 -0.823 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.346 -12.399 -0.511 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.392 -9.413 0.294 1.00 0.00 C ATOM 0 H ILE A 116 2.518 -11.632 0.041 1.00 0.00 H new ATOM 0 HA ILE A 116 4.029 -12.349 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 116 4.680 -11.825 0.676 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.522 -10.203 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.884 -10.067 -1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.056 -11.787 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.348 -13.412 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.635 -12.425 -1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.352 -8.378 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.755 -9.532 1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.419 -9.670 0.555 1.00 0.00 H new ATOM 1790 N ALA A 117 4.101 -14.658 0.148 1.00 0.00 N ATOM 1791 CA ALA A 117 4.317 -16.077 0.373 1.00 0.00 C ATOM 1792 C ALA A 117 3.388 -16.882 -0.539 1.00 0.00 C ATOM 1793 O ALA A 117 3.851 -17.649 -1.381 1.00 0.00 O ATOM 1794 CB ALA A 117 4.102 -16.398 1.854 1.00 0.00 C ATOM 0 H ALA A 117 3.899 -14.118 0.990 1.00 0.00 H new ATOM 0 HA ALA A 117 5.342 -16.353 0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.264 -17.463 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.806 -15.824 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.083 -16.137 2.139 1.00 0.00 H new ATOM 1800 N SER A 118 2.094 -16.678 -0.339 1.00 0.00 N ATOM 1801 CA SER A 118 1.096 -17.374 -1.133 1.00 0.00 C ATOM 1802 C SER A 118 1.382 -17.178 -2.623 1.00 0.00 C ATOM 1803 O SER A 118 1.059 -16.135 -3.189 1.00 0.00 O ATOM 1804 CB SER A 118 -0.315 -16.888 -0.795 1.00 0.00 C ATOM 1805 OG SER A 118 -0.769 -17.395 0.457 1.00 0.00 O ATOM 0 H SER A 118 1.714 -16.041 0.361 1.00 0.00 H new ATOM 0 HA SER A 118 1.151 -18.436 -0.896 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.327 -15.798 -0.771 1.00 0.00 H new ATOM 0 HB3 SER A 118 -1.003 -17.197 -1.582 1.00 0.00 H new ATOM 0 HG SER A 118 -0.833 -16.661 1.103 1.00 0.00 H new ATOM 1811 N GLY A 119 1.985 -18.198 -3.216 1.00 0.00 N ATOM 1812 CA GLY A 119 2.318 -18.151 -4.630 1.00 0.00 C ATOM 1813 C GLY A 119 1.238 -17.413 -5.423 1.00 0.00 C ATOM 1814 O GLY A 119 0.050 -17.696 -5.274 1.00 0.00 O ATOM 0 H GLY A 119 2.252 -19.062 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 119 3.278 -17.652 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.428 -19.165 -5.015 1.00 0.00 H new ATOM 1818 N PRO A 120 1.700 -16.456 -6.272 1.00 0.00 N ATOM 1819 CA PRO A 120 0.787 -15.676 -7.090 1.00 0.00 C ATOM 1820 C PRO A 120 0.254 -16.505 -8.260 1.00 0.00 C ATOM 1821 O PRO A 120 0.751 -17.597 -8.529 1.00 0.00 O ATOM 1822 CB PRO A 120 1.594 -14.468 -7.537 1.00 0.00 C ATOM 1823 CG PRO A 120 3.054 -14.846 -7.342 1.00 0.00 C ATOM 1824 CD PRO A 120 3.100 -16.094 -6.475 1.00 0.00 C ATOM 0 HA PRO A 120 -0.104 -15.364 -6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 120 1.389 -14.226 -8.580 1.00 0.00 H new ATOM 0 HB3 PRO A 120 1.337 -13.587 -6.949 1.00 0.00 H new ATOM 0 HG2 PRO A 120 3.532 -15.031 -8.304 1.00 0.00 H new ATOM 0 HG3 PRO A 120 3.599 -14.031 -6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 120 3.650 -16.897 -6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 120 3.600 -15.899 -5.526 1.00 0.00 H new ATOM 1832 N SER A 121 -0.751 -15.953 -8.924 1.00 0.00 N ATOM 1833 CA SER A 121 -1.358 -16.628 -10.059 1.00 0.00 C ATOM 1834 C SER A 121 -2.274 -15.663 -10.814 1.00 0.00 C ATOM 1835 O SER A 121 -3.487 -15.668 -10.613 1.00 0.00 O ATOM 1836 CB SER A 121 -2.142 -17.863 -9.611 1.00 0.00 C ATOM 1837 OG SER A 121 -3.051 -17.564 -8.555 1.00 0.00 O ATOM 0 H SER A 121 -1.160 -15.046 -8.698 1.00 0.00 H new ATOM 0 HA SER A 121 -0.561 -16.959 -10.725 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.693 -18.270 -10.459 1.00 0.00 H new ATOM 0 HB3 SER A 121 -1.446 -18.635 -9.283 1.00 0.00 H new ATOM 0 HG SER A 121 -3.604 -16.795 -8.807 1.00 0.00 H new ATOM 1843 N SER A 122 -1.657 -14.857 -11.666 1.00 0.00 N ATOM 1844 CA SER A 122 -2.402 -13.887 -12.451 1.00 0.00 C ATOM 1845 C SER A 122 -3.639 -14.549 -13.062 1.00 0.00 C ATOM 1846 O SER A 122 -3.613 -15.732 -13.398 1.00 0.00 O ATOM 1847 CB SER A 122 -1.527 -13.280 -13.550 1.00 0.00 C ATOM 1848 OG SER A 122 -1.809 -11.898 -13.754 1.00 0.00 O ATOM 0 H SER A 122 -0.650 -14.856 -11.830 1.00 0.00 H new ATOM 0 HA SER A 122 -2.718 -13.081 -11.789 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.477 -13.400 -13.285 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.685 -13.824 -14.481 1.00 0.00 H new ATOM 0 HG SER A 122 -1.229 -11.547 -14.462 1.00 0.00 H new ATOM 1854 N GLY A 123 -4.693 -13.756 -13.189 1.00 0.00 N ATOM 1855 CA GLY A 123 -5.937 -14.249 -13.754 1.00 0.00 C ATOM 1856 C GLY A 123 -6.148 -13.712 -15.170 1.00 0.00 C ATOM 1857 O GLY A 123 -5.336 -13.962 -16.060 1.00 0.00 O ATOM 0 H GLY A 123 -4.711 -12.775 -12.910 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -5.925 -15.339 -13.773 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -6.772 -13.950 -13.120 1.00 0.00 H new TER 1861 GLY A 123