USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 693 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 6 ASN : amide:sc= 0.608 K(o=1.6,f=-2.9!) USER MOD Set 1.2: A 89 GLN : amide:sc= 1.01 K(o=1.6,f=-2.9) USER MOD Set 2.1: A 84 ASN : amide:sc= 1.07 K(o=2,f=-1.4!) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0.879 USER MOD Set 3.1: A 24 HIS : no HD1:sc= 0.0379 X(o=0.18,f=-0.097) USER MOD Set 3.2: A 50 TYR OH : rot 0:sc= 0.145 USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= 0.838 (180deg=0.638) USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0.385 F(o=-2.5!,f=0.39) USER MOD Single : A 22 SER OG : rot 24:sc= 0.127 USER MOD Single : A 25 ASN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -69:sc= 0.354 USER MOD Single : A 31 ASN : amide:sc= -0.0227 K(o=-0.023,f=-0.61) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 35 MET CE :methyl 179:sc= -0.317 (180deg=-0.328) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= 1.29 (180deg=0.764) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0.319 (180deg=0.214) USER MOD Single : A 43 SER OG : rot -100:sc= -0.264 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 170:sc= -0.896 USER MOD Single : A 69 TYR OH : rot 67:sc= 0.47 USER MOD Single : A 74 HIS : no HD1:sc= -0.0517 X(o=-0.052,f=-0.39) USER MOD Single : A 77 LYS NZ :NH3+ -137:sc= 1.18 (180deg=-0.949) USER MOD Single : A 81 SER OG : rot 168:sc= 1.24 USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= 1.2 (180deg=0.275) USER MOD Single : A 96 MET CE :methyl -102:sc= -0.189 (180deg=-1.94!) USER MOD Single : A 97 ASN : amide:sc=-0.00533 K(o=-0.0053,f=-0.66) USER MOD Single : A 98 THR OG1 : rot 80:sc= 1.18 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 98:sc= 1.31 USER MOD Single : A 105 SER OG : rot 74:sc= 0.84 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.097 -11.336 -14.976 1.00 0.51 N ATOM 21 CA GLU A 2 -8.421 -10.201 -14.110 1.00 0.37 C ATOM 22 C GLU A 2 -7.927 -8.884 -14.726 1.00 0.34 C ATOM 23 O GLU A 2 -7.064 -8.885 -15.607 1.00 0.48 O ATOM 24 CB GLU A 2 -7.841 -10.439 -12.712 1.00 0.53 C ATOM 25 CG GLU A 2 -6.351 -10.148 -12.625 1.00 0.96 C ATOM 26 CD GLU A 2 -5.516 -11.302 -13.166 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.904 -12.467 -12.951 1.00 2.16 O ATOM 28 OE2 GLU A 2 -4.480 -11.049 -13.809 1.00 2.09 O ATOM 0 HA GLU A 2 -9.504 -10.115 -14.016 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -8.370 -9.812 -11.995 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -8.020 -11.475 -12.423 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.124 -9.241 -13.186 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -6.078 -9.957 -11.587 1.00 0.96 H new ATOM 35 N GLY A 3 -8.478 -7.762 -14.262 1.00 0.25 N ATOM 36 CA GLY A 3 -8.094 -6.436 -14.766 1.00 0.28 C ATOM 37 C GLY A 3 -9.015 -5.350 -14.213 1.00 0.22 C ATOM 38 O GLY A 3 -9.929 -5.625 -13.428 1.00 0.22 O ATOM 0 H GLY A 3 -9.194 -7.742 -13.536 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.063 -6.221 -14.485 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.135 -6.432 -15.855 1.00 0.28 H new ATOM 42 N PHE A 4 -8.764 -4.110 -14.630 1.00 0.24 N ATOM 43 CA PHE A 4 -9.558 -2.956 -14.190 1.00 0.21 C ATOM 44 C PHE A 4 -10.853 -2.840 -14.999 1.00 0.22 C ATOM 45 O PHE A 4 -10.885 -3.129 -16.200 1.00 0.27 O ATOM 46 CB PHE A 4 -8.753 -1.660 -14.343 1.00 0.23 C ATOM 47 CG PHE A 4 -7.840 -1.368 -13.174 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.373 -1.107 -11.920 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.463 -1.373 -13.350 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.534 -0.852 -10.847 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.626 -1.116 -12.279 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.171 -0.810 -11.031 1.00 0.41 C ATOM 0 H PHE A 4 -8.012 -3.874 -15.277 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.807 -3.109 -13.140 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.156 -1.719 -15.253 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.444 -0.827 -14.469 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.444 -1.103 -11.780 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.045 -1.578 -14.324 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.951 -0.686 -9.865 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.554 -1.152 -12.408 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.523 -0.540 -10.210 1.00 0.41 H new ATOM 62 N LEU A 5 -11.900 -2.385 -14.325 1.00 0.19 N ATOM 63 CA LEU A 5 -13.217 -2.185 -14.927 1.00 0.21 C ATOM 64 C LEU A 5 -13.938 -1.062 -14.187 1.00 0.20 C ATOM 65 O LEU A 5 -13.842 -0.958 -12.962 1.00 0.21 O ATOM 66 CB LEU A 5 -14.064 -3.466 -14.823 1.00 0.23 C ATOM 67 CG LEU A 5 -14.095 -4.255 -16.133 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.777 -5.603 -15.915 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.808 -3.475 -17.236 1.00 0.31 C ATOM 0 H LEU A 5 -11.862 -2.141 -13.335 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.084 -1.931 -15.979 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.664 -4.099 -14.031 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.082 -3.202 -14.537 1.00 0.23 H new ATOM 0 HG LEU A 5 -13.066 -4.420 -16.452 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.795 -6.158 -16.853 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.226 -6.173 -15.167 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.798 -5.442 -15.569 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.812 -4.064 -18.153 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.834 -3.270 -16.931 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -14.287 -2.534 -17.411 1.00 0.31 H new ATOM 81 N ASN A 6 -14.707 -0.262 -14.913 1.00 0.22 N ATOM 82 CA ASN A 6 -15.495 0.805 -14.296 1.00 0.23 C ATOM 83 C ASN A 6 -16.824 0.179 -13.888 1.00 0.22 C ATOM 84 O ASN A 6 -17.489 -0.442 -14.713 1.00 0.26 O ATOM 85 CB ASN A 6 -15.696 1.986 -15.274 1.00 0.28 C ATOM 86 CG ASN A 6 -15.175 3.313 -14.702 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.748 3.396 -13.553 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.212 4.359 -15.514 1.00 1.24 N ATOM 0 H ASN A 6 -14.804 -0.328 -15.926 1.00 0.22 H new ATOM 0 HA ASN A 6 -14.984 1.220 -13.428 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.182 1.770 -16.211 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.756 2.085 -15.507 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -14.880 5.268 -15.191 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -15.573 4.256 -16.462 1.00 1.24 H new ATOM 95 N ARG A 7 -17.172 0.288 -12.608 1.00 0.23 N ATOM 96 CA ARG A 7 -18.398 -0.320 -12.078 1.00 0.24 C ATOM 97 C ARG A 7 -19.421 0.742 -11.673 1.00 0.25 C ATOM 98 O ARG A 7 -19.091 1.716 -10.984 1.00 0.32 O ATOM 99 CB ARG A 7 -18.046 -1.189 -10.861 1.00 0.28 C ATOM 100 CG ARG A 7 -19.286 -1.852 -10.253 1.00 0.34 C ATOM 101 CD ARG A 7 -18.910 -3.074 -9.407 1.00 0.54 C ATOM 102 NE ARG A 7 -18.283 -2.663 -8.141 1.00 0.95 N ATOM 103 CZ ARG A 7 -18.527 -3.294 -6.992 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.128 -4.548 -6.820 1.00 1.46 N ATOM 105 NH2 ARG A 7 -19.183 -2.669 -6.027 1.00 1.71 N ATOM 0 H ARG A 7 -16.622 0.793 -11.913 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.844 -0.932 -12.862 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.333 -1.958 -11.158 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.556 -0.574 -10.106 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.820 -1.130 -9.635 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.966 -2.154 -11.049 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.801 -3.667 -9.201 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.226 -3.712 -9.966 1.00 0.54 H new ATOM 0 HE ARG A 7 -17.641 -1.870 -8.142 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -17.633 -5.033 -7.568 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -18.317 -5.027 -5.939 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -19.499 -1.709 -6.164 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -19.372 -3.147 -5.146 1.00 1.71 H new ATOM 119 N LYS A 8 -20.663 0.522 -12.093 1.00 0.27 N ATOM 120 CA LYS A 8 -21.789 1.403 -11.786 1.00 0.29 C ATOM 121 C LYS A 8 -23.039 0.547 -11.603 1.00 0.29 C ATOM 122 O LYS A 8 -23.325 -0.318 -12.426 1.00 0.38 O ATOM 123 CB LYS A 8 -22.010 2.403 -12.933 1.00 0.36 C ATOM 124 CG LYS A 8 -23.224 3.323 -12.694 1.00 0.37 C ATOM 125 CD LYS A 8 -23.922 3.709 -14.005 1.00 0.50 C ATOM 126 CE LYS A 8 -25.431 3.461 -13.933 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.071 4.263 -12.850 1.00 1.02 N ATOM 0 H LYS A 8 -20.921 -0.283 -12.664 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.579 1.962 -10.874 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.115 3.013 -13.055 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.152 1.855 -13.865 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.936 2.821 -12.039 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.898 4.226 -12.178 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -23.735 4.761 -14.221 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.497 3.134 -14.828 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -25.887 3.713 -14.890 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.618 2.401 -13.760 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.094 4.328 -13.025 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.905 3.802 -11.933 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -25.660 5.218 -12.837 1.00 1.02 H new ATOM 141 N HIS A 9 -23.798 0.808 -10.546 1.00 0.43 N ATOM 142 CA HIS A 9 -25.037 0.071 -10.290 1.00 0.52 C ATOM 143 C HIS A 9 -26.213 0.875 -10.834 1.00 0.58 C ATOM 144 O HIS A 9 -26.337 2.074 -10.578 1.00 0.73 O ATOM 145 CB HIS A 9 -25.218 -0.262 -8.790 1.00 0.68 C ATOM 146 CG HIS A 9 -25.116 0.902 -7.838 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.372 2.038 -7.860 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -25.804 0.956 -6.655 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -24.630 2.732 -6.694 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -25.508 2.041 -5.986 1.00 1.75 N flip ATOM 0 H HIS A 9 -23.581 1.523 -9.851 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.988 -0.888 -10.805 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -26.193 -0.730 -8.657 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -24.469 -1.002 -8.509 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -26.500 0.202 -6.318 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -24.190 3.677 -6.409 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -25.888 2.307 -5.078 1.00 1.75 H new ATOM 158 N GLU A 10 -27.055 0.213 -11.622 1.00 0.60 N ATOM 159 CA GLU A 10 -28.219 0.852 -12.244 1.00 0.73 C ATOM 160 C GLU A 10 -29.490 0.540 -11.452 1.00 0.83 C ATOM 161 O GLU A 10 -30.430 1.333 -11.439 1.00 1.00 O ATOM 162 CB GLU A 10 -28.366 0.359 -13.695 1.00 0.79 C ATOM 163 CG GLU A 10 -29.271 1.272 -14.541 1.00 1.28 C ATOM 164 CD GLU A 10 -28.563 2.580 -14.877 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.507 3.466 -14.003 1.00 1.52 O ATOM 166 OE2 GLU A 10 -28.058 2.723 -16.011 1.00 1.72 O ATOM 0 H GLU A 10 -26.954 -0.776 -11.849 1.00 0.60 H new ATOM 0 HA GLU A 10 -28.070 1.932 -12.243 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.380 0.302 -14.157 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.776 -0.651 -13.692 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -29.553 0.760 -15.461 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.192 1.482 -13.998 1.00 1.28 H new ATOM 173 N TRP A 11 -29.515 -0.622 -10.811 1.00 0.82 N ATOM 174 CA TRP A 11 -30.672 -1.061 -10.032 1.00 0.96 C ATOM 175 C TRP A 11 -30.273 -2.263 -9.171 1.00 0.94 C ATOM 176 O TRP A 11 -29.780 -3.267 -9.693 1.00 0.84 O ATOM 177 CB TRP A 11 -31.814 -1.436 -11.006 1.00 1.08 C ATOM 178 CG TRP A 11 -33.099 -1.836 -10.345 1.00 1.26 C ATOM 179 CD1 TRP A 11 -34.132 -1.016 -9.989 1.00 1.54 C ATOM 180 CD2 TRP A 11 -33.498 -3.172 -9.986 1.00 1.26 C ATOM 181 NE1 TRP A 11 -35.122 -1.775 -9.435 1.00 1.67 N ATOM 182 CE2 TRP A 11 -34.768 -3.089 -9.416 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.897 -4.426 -10.093 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -35.441 -4.207 -8.957 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -33.565 -5.547 -9.637 1.00 1.35 C ATOM 186 CH2 TRP A 11 -34.822 -5.439 -9.075 1.00 1.53 C ATOM 0 H TRP A 11 -28.740 -1.285 -10.814 1.00 0.82 H new ATOM 0 HA TRP A 11 -31.016 -0.263 -9.374 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -32.008 -0.586 -11.661 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -31.477 -2.256 -11.640 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -34.161 0.055 -10.124 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -36.006 -1.408 -9.083 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.914 -4.521 -10.530 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -36.424 -4.121 -8.518 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -33.099 -6.518 -9.721 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -35.328 -6.326 -8.724 1.00 1.53 H new ATOM 353 N SER A 22 -22.522 7.644 -10.443 1.00 1.32 N ATOM 354 CA SER A 22 -22.084 6.593 -9.519 1.00 0.74 C ATOM 355 C SER A 22 -21.153 5.598 -10.224 1.00 0.68 C ATOM 356 O SER A 22 -21.470 4.416 -10.366 1.00 1.69 O ATOM 357 CB SER A 22 -23.293 5.859 -8.947 1.00 1.62 C ATOM 358 OG SER A 22 -24.210 6.772 -8.355 1.00 1.86 O ATOM 0 HA SER A 22 -21.532 7.063 -8.705 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.791 5.299 -9.739 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.964 5.134 -8.202 1.00 1.62 H new ATOM 0 HG SER A 22 -24.090 7.660 -8.752 1.00 1.86 H new ATOM 364 N TRP A 23 -20.010 6.104 -10.653 1.00 0.69 N ATOM 365 CA TRP A 23 -18.988 5.311 -11.355 1.00 0.41 C ATOM 366 C TRP A 23 -17.723 5.197 -10.497 1.00 0.40 C ATOM 367 O TRP A 23 -17.298 6.176 -9.876 1.00 0.55 O ATOM 368 CB TRP A 23 -18.640 5.980 -12.704 1.00 0.43 C ATOM 369 CG TRP A 23 -19.617 5.661 -13.798 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.617 6.463 -14.271 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.682 4.439 -14.558 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.279 5.796 -15.267 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.742 4.561 -15.463 1.00 0.36 C ATOM 374 CE3 TRP A 23 -18.947 3.257 -14.549 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.077 3.542 -16.345 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.274 2.237 -15.425 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.332 2.375 -16.315 1.00 0.31 C ATOM 0 H TRP A 23 -19.753 7.083 -10.528 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.384 4.312 -11.537 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -18.601 7.060 -12.566 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.644 5.662 -13.012 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -20.847 7.457 -13.918 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.068 6.174 -15.791 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.124 3.136 -13.860 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -21.898 3.657 -17.037 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.700 1.322 -15.417 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.575 1.566 -16.988 1.00 0.31 H new ATOM 388 N HIS A 24 -17.117 4.008 -10.474 1.00 0.37 N ATOM 389 CA HIS A 24 -15.889 3.764 -9.711 1.00 0.45 C ATOM 390 C HIS A 24 -15.026 2.731 -10.447 1.00 0.36 C ATOM 391 O HIS A 24 -15.516 1.668 -10.835 1.00 0.34 O ATOM 392 CB HIS A 24 -16.222 3.269 -8.289 1.00 0.61 C ATOM 393 CG HIS A 24 -15.058 3.388 -7.346 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.049 4.202 -6.243 1.00 2.08 N ATOM 395 CD2 HIS A 24 -13.837 2.803 -7.358 1.00 1.66 C ATOM 396 CE1 HIS A 24 -13.900 4.130 -5.615 1.00 2.98 C ATOM 397 NE2 HIS A 24 -13.126 3.281 -6.274 1.00 2.74 N ATOM 0 H HIS A 24 -17.460 3.191 -10.980 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.335 4.698 -9.623 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.062 3.842 -7.897 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.541 2.228 -8.337 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -13.482 2.089 -8.086 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -13.632 4.668 -4.718 1.00 2.98 H new ATOM 0 HE2 HIS A 24 -12.171 3.025 -6.025 1.00 2.74 H new ATOM 405 N ASN A 25 -13.741 3.045 -10.631 1.00 0.37 N ATOM 406 CA ASN A 25 -12.803 2.147 -11.312 1.00 0.35 C ATOM 407 C ASN A 25 -12.306 1.086 -10.323 1.00 0.34 C ATOM 408 O ASN A 25 -11.411 1.344 -9.513 1.00 0.55 O ATOM 409 CB ASN A 25 -11.629 2.958 -11.889 1.00 0.44 C ATOM 410 CG ASN A 25 -10.860 2.139 -12.932 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.356 1.893 -14.031 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.650 1.719 -12.592 1.00 1.49 N ATOM 0 H ASN A 25 -13.324 3.921 -10.316 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.306 1.644 -12.138 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.004 3.875 -12.344 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -10.956 3.254 -11.084 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.096 1.172 -13.251 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.272 1.943 -11.671 1.00 1.49 H new ATOM 419 N VAL A 26 -12.919 -0.095 -10.383 1.00 0.22 N ATOM 420 CA VAL A 26 -12.589 -1.210 -9.490 1.00 0.21 C ATOM 421 C VAL A 26 -11.839 -2.308 -10.257 1.00 0.18 C ATOM 422 O VAL A 26 -11.908 -2.386 -11.486 1.00 0.23 O ATOM 423 CB VAL A 26 -13.895 -1.748 -8.870 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.713 -2.561 -9.879 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.619 -2.579 -7.621 1.00 0.31 C ATOM 0 H VAL A 26 -13.659 -0.308 -11.052 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.931 -0.867 -8.692 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.486 -0.879 -8.581 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.624 -2.921 -9.402 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.973 -1.930 -10.729 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.124 -3.411 -10.225 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.561 -2.942 -7.210 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -12.986 -3.427 -7.881 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.113 -1.962 -6.878 1.00 0.31 H new ATOM 435 N TYR A 27 -11.132 -3.161 -9.523 1.00 0.16 N ATOM 436 CA TYR A 27 -10.369 -4.268 -10.108 1.00 0.16 C ATOM 437 C TYR A 27 -11.166 -5.565 -9.952 1.00 0.19 C ATOM 438 O TYR A 27 -11.480 -5.975 -8.833 1.00 0.34 O ATOM 439 CB TYR A 27 -9.009 -4.367 -9.406 1.00 0.17 C ATOM 440 CG TYR A 27 -7.938 -5.035 -10.241 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.868 -6.416 -10.321 1.00 0.26 C ATOM 442 CD2 TYR A 27 -7.016 -4.263 -10.920 1.00 0.28 C ATOM 443 CE1 TYR A 27 -6.878 -7.014 -11.082 1.00 0.30 C ATOM 444 CE2 TYR A 27 -6.029 -4.859 -11.678 1.00 0.33 C ATOM 445 CZ TYR A 27 -5.962 -6.234 -11.758 1.00 0.29 C ATOM 446 OH TYR A 27 -4.977 -6.825 -12.516 1.00 0.37 O ATOM 0 H TYR A 27 -11.069 -3.108 -8.506 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.198 -4.094 -11.170 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.675 -3.365 -9.138 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.130 -4.922 -8.476 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -8.585 -7.025 -9.791 1.00 0.26 H new ATOM 0 HD2 TYR A 27 -7.068 -3.186 -10.857 1.00 0.28 H new ATOM 0 HE1 TYR A 27 -6.823 -8.091 -11.147 1.00 0.30 H new ATOM 0 HE2 TYR A 27 -5.311 -4.250 -12.207 1.00 0.33 H new ATOM 0 HH TYR A 27 -4.418 -6.131 -12.925 1.00 0.37 H new ATOM 456 N CYS A 28 -11.508 -6.197 -11.072 1.00 0.16 N ATOM 457 CA CYS A 28 -12.292 -7.438 -11.070 1.00 0.19 C ATOM 458 C CYS A 28 -11.398 -8.647 -11.346 1.00 0.19 C ATOM 459 O CYS A 28 -10.518 -8.598 -12.209 1.00 0.23 O ATOM 460 CB CYS A 28 -13.400 -7.353 -12.127 1.00 0.23 C ATOM 461 SG CYS A 28 -14.322 -5.806 -12.039 1.00 0.34 S ATOM 0 H CYS A 28 -11.253 -5.869 -12.004 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.741 -7.562 -10.084 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.960 -7.454 -13.119 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.087 -8.189 -11.997 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.024 -5.781 -10.945 1.00 0.34 H new ATOM 467 N VAL A 29 -11.636 -9.727 -10.600 1.00 0.21 N ATOM 468 CA VAL A 29 -10.875 -10.973 -10.736 1.00 0.24 C ATOM 469 C VAL A 29 -11.844 -12.157 -10.814 1.00 0.26 C ATOM 470 O VAL A 29 -12.555 -12.444 -9.852 1.00 0.38 O ATOM 471 CB VAL A 29 -9.927 -11.156 -9.533 1.00 0.29 C ATOM 472 CG1 VAL A 29 -8.940 -12.302 -9.784 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.165 -9.865 -9.218 1.00 0.33 C ATOM 0 H VAL A 29 -12.362 -9.764 -9.884 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.279 -10.927 -11.648 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.543 -11.406 -8.669 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.282 -12.411 -8.922 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.491 -13.229 -9.940 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.344 -12.081 -10.669 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.507 -10.030 -8.365 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.571 -9.573 -10.084 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.875 -9.072 -8.980 1.00 0.33 H new ATOM 483 N ILE A 30 -11.861 -12.848 -11.955 1.00 0.28 N ATOM 484 CA ILE A 30 -12.734 -14.015 -12.155 1.00 0.32 C ATOM 485 C ILE A 30 -12.036 -15.267 -11.610 1.00 0.35 C ATOM 486 O ILE A 30 -10.813 -15.393 -11.716 1.00 0.44 O ATOM 487 CB ILE A 30 -13.066 -14.187 -13.648 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.498 -12.851 -14.268 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.161 -15.242 -13.840 1.00 0.50 C ATOM 490 CD1 ILE A 30 -13.707 -12.976 -15.776 1.00 0.57 C ATOM 0 H ILE A 30 -11.278 -12.621 -12.761 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.670 -13.863 -11.617 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.164 -14.527 -14.158 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.421 -12.512 -13.798 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.741 -12.093 -14.066 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.381 -15.349 -14.902 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.819 -16.198 -13.443 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.062 -14.931 -13.312 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.012 -12.012 -16.182 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -12.776 -13.290 -16.248 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.482 -13.716 -15.976 1.00 0.57 H new ATOM 502 N ASN A 31 -12.803 -16.182 -11.011 1.00 0.46 N ATOM 503 CA ASN A 31 -12.222 -17.404 -10.438 1.00 0.58 C ATOM 504 C ASN A 31 -13.191 -18.591 -10.518 1.00 0.71 C ATOM 505 O ASN A 31 -13.527 -19.198 -9.500 1.00 1.20 O ATOM 506 CB ASN A 31 -11.802 -17.140 -8.980 1.00 0.73 C ATOM 507 CG ASN A 31 -10.761 -18.162 -8.509 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.829 -18.506 -9.239 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.916 -18.645 -7.288 1.00 1.47 N ATOM 0 H ASN A 31 -13.815 -16.104 -10.910 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.344 -17.671 -11.026 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.392 -16.134 -8.893 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -12.678 -17.185 -8.333 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.252 -19.326 -6.921 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.700 -18.336 -6.713 1.00 1.47 H new ATOM 516 N ASN A 32 -13.598 -18.936 -11.746 1.00 0.85 N ATOM 517 CA ASN A 32 -14.493 -20.083 -12.023 1.00 1.00 C ATOM 518 C ASN A 32 -15.898 -19.906 -11.436 1.00 1.00 C ATOM 519 O ASN A 32 -16.099 -20.039 -10.228 1.00 1.97 O ATOM 520 CB ASN A 32 -13.891 -21.408 -11.497 1.00 1.24 C ATOM 521 CG ASN A 32 -12.520 -21.688 -12.115 1.00 1.73 C ATOM 522 OD1 ASN A 32 -11.489 -21.295 -11.570 1.00 2.06 O ATOM 523 ND2 ASN A 32 -12.504 -22.366 -13.253 1.00 2.52 N ATOM 0 H ASN A 32 -13.318 -18.428 -12.585 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.585 -20.123 -13.108 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.799 -21.361 -10.412 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.568 -22.231 -11.724 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -11.616 -22.579 -13.707 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -13.380 -22.675 -13.675 1.00 2.52 H new ATOM 530 N GLN A 33 -16.876 -19.648 -12.309 1.00 0.75 N ATOM 531 CA GLN A 33 -18.295 -19.493 -11.927 1.00 0.67 C ATOM 532 C GLN A 33 -18.581 -18.228 -11.096 1.00 0.56 C ATOM 533 O GLN A 33 -19.761 -17.850 -10.951 1.00 0.71 O ATOM 534 CB GLN A 33 -18.801 -20.751 -11.188 1.00 0.83 C ATOM 535 CG GLN A 33 -19.900 -21.467 -11.986 1.00 1.46 C ATOM 536 CD GLN A 33 -19.292 -22.444 -12.995 1.00 1.85 C ATOM 537 OE1 GLN A 33 -19.439 -23.659 -12.862 1.00 2.11 O ATOM 538 NE2 GLN A 33 -18.607 -21.919 -14.001 1.00 2.67 N ATOM 0 H GLN A 33 -16.711 -19.539 -13.310 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.844 -19.372 -12.861 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -17.969 -21.434 -11.018 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.186 -20.469 -10.208 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -20.559 -22.005 -11.304 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -20.513 -20.733 -12.508 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -18.507 -20.907 -14.077 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -18.179 -22.527 -14.699 1.00 2.67 H new ATOM 547 N GLU A 34 -17.532 -17.586 -10.543 1.00 0.53 N ATOM 548 CA GLU A 34 -17.704 -16.378 -9.734 1.00 0.49 C ATOM 549 C GLU A 34 -16.530 -15.422 -9.928 1.00 0.45 C ATOM 550 O GLU A 34 -15.538 -15.757 -10.586 1.00 0.64 O ATOM 551 CB GLU A 34 -17.857 -16.754 -8.255 1.00 0.61 C ATOM 552 CG GLU A 34 -16.620 -17.474 -7.704 1.00 1.25 C ATOM 553 CD GLU A 34 -16.668 -17.508 -6.183 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.528 -18.224 -5.629 1.00 1.79 O ATOM 555 OE2 GLU A 34 -15.859 -16.807 -5.539 1.00 1.89 O ATOM 0 H GLU A 34 -16.563 -17.888 -10.645 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.609 -15.867 -10.062 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -18.040 -15.852 -7.671 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -18.731 -17.394 -8.134 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -16.576 -18.490 -8.097 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -15.715 -16.964 -8.036 1.00 1.25 H new ATOM 562 N MET A 35 -16.644 -14.235 -9.338 1.00 0.36 N ATOM 563 CA MET A 35 -15.604 -13.214 -9.428 1.00 0.35 C ATOM 564 C MET A 35 -15.540 -12.424 -8.122 1.00 0.32 C ATOM 565 O MET A 35 -16.529 -12.323 -7.388 1.00 0.42 O ATOM 566 CB MET A 35 -15.873 -12.274 -10.616 1.00 0.41 C ATOM 567 CG MET A 35 -17.255 -11.621 -10.546 1.00 0.43 C ATOM 568 SD MET A 35 -17.527 -10.459 -11.896 1.00 0.60 S ATOM 569 CE MET A 35 -19.176 -9.852 -11.505 1.00 1.25 C ATOM 0 H MET A 35 -17.455 -13.955 -8.787 1.00 0.36 H new ATOM 0 HA MET A 35 -14.643 -13.702 -9.592 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.109 -11.497 -10.641 1.00 0.41 H new ATOM 0 HB3 MET A 35 -15.787 -12.836 -11.546 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.022 -12.395 -10.574 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.362 -11.101 -9.594 1.00 0.43 H new ATOM 0 HE1 MET A 35 -19.475 -9.109 -12.244 1.00 1.25 H new ATOM 0 HE2 MET A 35 -19.882 -10.682 -11.519 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.171 -9.397 -10.515 1.00 1.25 H new ATOM 579 N GLY A 36 -14.370 -11.868 -7.842 1.00 0.27 N ATOM 580 CA GLY A 36 -14.142 -11.076 -6.636 1.00 0.29 C ATOM 581 C GLY A 36 -13.670 -9.682 -7.022 1.00 0.25 C ATOM 582 O GLY A 36 -12.868 -9.526 -7.947 1.00 0.28 O ATOM 0 H GLY A 36 -13.550 -11.952 -8.443 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -15.060 -11.011 -6.052 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.397 -11.561 -6.005 1.00 0.29 H new ATOM 586 N PHE A 37 -14.173 -8.676 -6.316 1.00 0.24 N ATOM 587 CA PHE A 37 -13.814 -7.281 -6.578 1.00 0.25 C ATOM 588 C PHE A 37 -12.723 -6.831 -5.606 1.00 0.25 C ATOM 589 O PHE A 37 -12.853 -6.985 -4.388 1.00 0.40 O ATOM 590 CB PHE A 37 -15.048 -6.383 -6.447 1.00 0.30 C ATOM 591 CG PHE A 37 -16.069 -6.628 -7.536 1.00 0.28 C ATOM 592 CD1 PHE A 37 -15.901 -6.050 -8.784 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.178 -7.427 -7.293 1.00 0.43 C ATOM 594 CE1 PHE A 37 -16.838 -6.267 -9.778 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.110 -7.642 -8.291 1.00 0.45 C ATOM 596 CZ PHE A 37 -17.940 -7.061 -9.533 1.00 0.33 C ATOM 0 H PHE A 37 -14.836 -8.799 -5.551 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.433 -7.199 -7.596 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.512 -6.551 -5.475 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -14.737 -5.339 -6.475 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.039 -5.430 -8.981 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.313 -7.881 -6.323 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.707 -5.813 -10.749 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -18.972 -8.265 -8.100 1.00 0.45 H new ATOM 0 HZ PHE A 37 -18.669 -7.228 -10.312 1.00 0.33 H new ATOM 606 N TYR A 38 -11.652 -6.276 -6.161 1.00 0.20 N ATOM 607 CA TYR A 38 -10.505 -5.785 -5.393 1.00 0.21 C ATOM 608 C TYR A 38 -10.263 -4.311 -5.748 1.00 0.21 C ATOM 609 O TYR A 38 -10.781 -3.822 -6.756 1.00 0.23 O ATOM 610 CB TYR A 38 -9.261 -6.629 -5.732 1.00 0.23 C ATOM 611 CG TYR A 38 -9.403 -8.095 -5.369 1.00 0.27 C ATOM 612 CD1 TYR A 38 -10.210 -8.927 -6.127 1.00 0.27 C ATOM 613 CD2 TYR A 38 -8.731 -8.612 -4.274 1.00 0.42 C ATOM 614 CE1 TYR A 38 -10.338 -10.263 -5.799 1.00 0.35 C ATOM 615 CE2 TYR A 38 -8.859 -9.953 -3.947 1.00 0.50 C ATOM 616 CZ TYR A 38 -9.658 -10.771 -4.706 1.00 0.44 C ATOM 617 OH TYR A 38 -9.796 -12.105 -4.390 1.00 0.55 O ATOM 0 H TYR A 38 -11.551 -6.151 -7.168 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.704 -5.870 -4.325 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.056 -6.546 -6.799 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.399 -6.216 -5.209 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -10.742 -8.529 -6.979 1.00 0.27 H new ATOM 0 HD2 TYR A 38 -8.105 -7.969 -3.673 1.00 0.42 H new ATOM 0 HE1 TYR A 38 -10.967 -10.909 -6.394 1.00 0.35 H new ATOM 0 HE2 TYR A 38 -8.330 -10.354 -3.095 1.00 0.50 H new ATOM 0 HH TYR A 38 -9.256 -12.311 -3.598 1.00 0.55 H new ATOM 627 N LYS A 39 -9.490 -3.591 -4.926 1.00 0.25 N ATOM 628 CA LYS A 39 -9.213 -2.189 -5.169 1.00 0.29 C ATOM 629 C LYS A 39 -8.339 -1.999 -6.423 1.00 0.28 C ATOM 630 O LYS A 39 -8.699 -1.232 -7.321 1.00 0.33 O ATOM 631 CB LYS A 39 -8.542 -1.585 -3.938 1.00 0.36 C ATOM 632 CG LYS A 39 -8.966 -2.262 -2.621 1.00 0.70 C ATOM 633 CD LYS A 39 -8.855 -1.283 -1.442 1.00 1.15 C ATOM 634 CE LYS A 39 -9.992 -1.461 -0.419 1.00 1.82 C ATOM 635 NZ LYS A 39 -9.703 -2.546 0.564 1.00 2.51 N ATOM 0 H LYS A 39 -9.049 -3.967 -4.087 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.155 -1.672 -5.354 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -7.460 -1.663 -4.047 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -8.781 -0.523 -3.886 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -9.992 -2.621 -2.706 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.337 -3.133 -2.436 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -7.896 -1.427 -0.944 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -8.868 -0.261 -1.820 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -10.149 -0.523 0.114 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -10.919 -1.688 -0.945 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -10.246 -2.379 1.435 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -9.974 -3.464 0.158 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.687 -2.552 0.785 1.00 2.51 H new ATOM 649 N ASP A 40 -7.202 -2.700 -6.492 1.00 0.28 N ATOM 650 CA ASP A 40 -6.296 -2.604 -7.651 1.00 0.32 C ATOM 651 C ASP A 40 -5.468 -3.890 -7.814 1.00 0.33 C ATOM 652 O ASP A 40 -5.775 -4.924 -7.207 1.00 0.32 O ATOM 653 CB ASP A 40 -5.386 -1.359 -7.552 1.00 0.38 C ATOM 654 CG ASP A 40 -4.538 -1.349 -6.282 1.00 0.57 C ATOM 655 OD1 ASP A 40 -3.581 -2.143 -6.188 1.00 0.94 O ATOM 656 OD2 ASP A 40 -4.806 -0.517 -5.390 1.00 0.84 O ATOM 0 H ASP A 40 -6.884 -3.339 -5.763 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.911 -2.489 -8.544 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.730 -1.323 -8.422 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -6.002 -0.460 -7.580 1.00 0.38 H new ATOM 661 N ALA A 41 -4.424 -3.821 -8.654 1.00 0.40 N ATOM 662 CA ALA A 41 -3.538 -4.967 -8.940 1.00 0.45 C ATOM 663 C ALA A 41 -2.811 -5.460 -7.681 1.00 0.45 C ATOM 664 O ALA A 41 -2.603 -6.665 -7.511 1.00 0.47 O ATOM 665 CB ALA A 41 -2.515 -4.583 -10.015 1.00 0.55 C ATOM 0 H ALA A 41 -4.168 -2.971 -9.156 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.164 -5.783 -9.301 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -1.866 -5.434 -10.220 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.037 -4.297 -10.928 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.914 -3.745 -9.663 1.00 0.55 H new ATOM 671 N LYS A 42 -2.445 -4.535 -6.790 1.00 0.46 N ATOM 672 CA LYS A 42 -1.761 -4.882 -5.533 1.00 0.48 C ATOM 673 C LYS A 42 -2.734 -5.597 -4.593 1.00 0.43 C ATOM 674 O LYS A 42 -2.365 -6.553 -3.903 1.00 0.47 O ATOM 675 CB LYS A 42 -1.200 -3.618 -4.865 1.00 0.54 C ATOM 676 CG LYS A 42 -0.355 -2.796 -5.843 1.00 0.77 C ATOM 677 CD LYS A 42 0.251 -1.565 -5.167 1.00 1.12 C ATOM 678 CE LYS A 42 -0.539 -0.296 -5.495 1.00 1.96 C ATOM 679 NZ LYS A 42 -1.933 -0.357 -4.971 1.00 2.76 N ATOM 0 H LYS A 42 -2.610 -3.536 -6.913 1.00 0.46 H new ATOM 0 HA LYS A 42 -0.929 -5.551 -5.754 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.022 -3.008 -4.490 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.593 -3.899 -4.004 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.443 -3.419 -6.248 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.973 -2.482 -6.684 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.269 -1.714 -4.087 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.285 -1.444 -5.490 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -0.029 0.569 -5.070 1.00 1.96 H new ATOM 0 HE3 LYS A 42 -0.563 -0.153 -6.575 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -2.469 0.465 -5.314 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -2.390 -1.231 -5.301 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -1.914 -0.348 -3.931 1.00 2.76 H new ATOM 693 N SER A 43 -3.988 -5.141 -4.601 1.00 0.38 N ATOM 694 CA SER A 43 -5.050 -5.733 -3.783 1.00 0.38 C ATOM 695 C SER A 43 -5.363 -7.154 -4.264 1.00 0.39 C ATOM 696 O SER A 43 -5.530 -8.070 -3.458 1.00 0.45 O ATOM 697 CB SER A 43 -6.307 -4.866 -3.864 1.00 0.37 C ATOM 698 OG SER A 43 -5.976 -3.492 -3.734 1.00 1.04 O ATOM 0 H SER A 43 -4.296 -4.354 -5.172 1.00 0.38 H new ATOM 0 HA SER A 43 -4.713 -5.782 -2.748 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.811 -5.036 -4.815 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.005 -5.153 -3.077 1.00 0.37 H new ATOM 0 HG SER A 43 -6.157 -3.197 -2.817 1.00 1.04 H new ATOM 704 N ALA A 44 -5.434 -7.324 -5.588 1.00 0.37 N ATOM 705 CA ALA A 44 -5.719 -8.626 -6.205 1.00 0.43 C ATOM 706 C ALA A 44 -4.568 -9.616 -5.972 1.00 0.51 C ATOM 707 O ALA A 44 -4.805 -10.786 -5.675 1.00 0.59 O ATOM 708 CB ALA A 44 -5.962 -8.449 -7.712 1.00 0.43 C ATOM 0 H ALA A 44 -5.297 -6.569 -6.260 1.00 0.37 H new ATOM 0 HA ALA A 44 -6.616 -9.034 -5.738 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.173 -9.419 -8.163 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -6.811 -7.784 -7.868 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.074 -8.019 -8.176 1.00 0.43 H new ATOM 714 N ALA A 45 -3.327 -9.136 -6.110 1.00 0.54 N ATOM 715 CA ALA A 45 -2.127 -9.968 -5.923 1.00 0.64 C ATOM 716 C ALA A 45 -1.962 -10.401 -4.460 1.00 0.68 C ATOM 717 O ALA A 45 -1.809 -11.590 -4.169 1.00 0.76 O ATOM 718 CB ALA A 45 -0.888 -9.194 -6.378 1.00 0.69 C ATOM 0 H ALA A 45 -3.124 -8.166 -6.353 1.00 0.54 H new ATOM 0 HA ALA A 45 -2.244 -10.868 -6.527 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -0.001 -9.812 -6.238 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -0.988 -8.935 -7.432 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -0.791 -8.283 -5.788 1.00 0.69 H new ATOM 724 N SER A 46 -1.990 -9.431 -3.542 1.00 0.65 N ATOM 725 CA SER A 46 -1.839 -9.710 -2.109 1.00 0.73 C ATOM 726 C SER A 46 -3.064 -10.464 -1.570 1.00 0.74 C ATOM 727 O SER A 46 -2.926 -11.424 -0.814 1.00 0.84 O ATOM 728 CB SER A 46 -1.632 -8.398 -1.335 1.00 0.75 C ATOM 729 OG SER A 46 -0.895 -8.625 -0.139 1.00 1.21 O ATOM 0 H SER A 46 -2.116 -8.444 -3.765 1.00 0.65 H new ATOM 0 HA SER A 46 -0.962 -10.343 -1.969 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.103 -7.681 -1.962 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.599 -7.957 -1.093 1.00 0.75 H new ATOM 0 HG SER A 46 -0.774 -7.777 0.336 1.00 1.21 H new ATOM 735 N GLY A 47 -4.257 -10.028 -1.974 1.00 0.70 N ATOM 736 CA GLY A 47 -5.514 -10.654 -1.550 1.00 0.74 C ATOM 737 C GLY A 47 -6.253 -9.776 -0.544 1.00 0.75 C ATOM 738 O GLY A 47 -6.610 -10.230 0.548 1.00 0.88 O ATOM 0 H GLY A 47 -4.382 -9.234 -2.602 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -6.148 -10.829 -2.419 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -5.307 -11.627 -1.105 1.00 0.74 H new ATOM 742 N ILE A 48 -6.485 -8.523 -0.929 1.00 0.67 N ATOM 743 CA ILE A 48 -7.196 -7.547 -0.095 1.00 0.72 C ATOM 744 C ILE A 48 -8.537 -7.224 -0.762 1.00 0.75 C ATOM 745 O ILE A 48 -8.565 -6.694 -1.875 1.00 0.75 O ATOM 746 CB ILE A 48 -6.347 -6.271 0.061 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.014 -6.588 0.755 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.100 -5.192 0.842 1.00 0.82 C ATOM 749 CD1 ILE A 48 -3.996 -5.471 0.546 1.00 0.97 C ATOM 0 H ILE A 48 -6.186 -8.151 -1.830 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.373 -7.959 0.899 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.143 -5.888 -0.939 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.183 -6.733 1.822 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.614 -7.524 0.366 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.473 -4.305 0.934 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.018 -4.934 0.314 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.346 -5.567 1.835 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.065 -5.728 1.050 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -3.808 -5.345 -0.520 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.387 -4.541 0.958 1.00 0.97 H new ATOM 761 N PRO A 49 -9.671 -7.545 -0.103 1.00 0.84 N ATOM 762 CA PRO A 49 -11.021 -7.302 -0.661 1.00 0.93 C ATOM 763 C PRO A 49 -11.364 -5.816 -0.830 1.00 0.93 C ATOM 764 O PRO A 49 -10.704 -4.931 -0.270 1.00 1.08 O ATOM 765 CB PRO A 49 -11.959 -7.991 0.338 1.00 1.07 C ATOM 766 CG PRO A 49 -11.197 -8.037 1.618 1.00 1.06 C ATOM 767 CD PRO A 49 -9.743 -8.173 1.233 1.00 0.92 C ATOM 0 HA PRO A 49 -11.106 -7.694 -1.675 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.890 -7.435 0.453 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.226 -8.993 0.002 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.363 -7.132 2.203 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.518 -8.878 2.233 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.091 -7.669 1.947 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.434 -9.218 1.201 1.00 0.92 H new ATOM 775 N TYR A 50 -12.405 -5.563 -1.621 1.00 0.87 N ATOM 776 CA TYR A 50 -12.883 -4.207 -1.905 1.00 0.91 C ATOM 777 C TYR A 50 -13.967 -3.807 -0.892 1.00 1.12 C ATOM 778 O TYR A 50 -13.847 -4.100 0.297 1.00 1.91 O ATOM 779 CB TYR A 50 -13.408 -4.143 -3.351 1.00 0.92 C ATOM 780 CG TYR A 50 -13.785 -2.749 -3.804 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.845 -1.732 -3.780 1.00 1.02 C ATOM 782 CD2 TYR A 50 -15.071 -2.487 -4.251 1.00 1.13 C ATOM 783 CE1 TYR A 50 -13.188 -0.462 -4.201 1.00 1.13 C ATOM 784 CE2 TYR A 50 -15.412 -1.217 -4.669 1.00 1.24 C ATOM 785 CZ TYR A 50 -14.481 -0.206 -4.622 1.00 1.17 C ATOM 786 OH TYR A 50 -14.797 1.055 -5.064 1.00 1.34 O ATOM 0 H TYR A 50 -12.944 -6.294 -2.086 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.062 -3.497 -1.807 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -12.646 -4.539 -4.022 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -14.279 -4.792 -3.440 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.843 -1.932 -3.432 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -15.806 -3.278 -4.272 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -12.451 0.327 -4.202 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -16.409 -1.017 -5.033 1.00 1.24 H new ATOM 0 HH TYR A 50 -14.003 1.627 -5.016 1.00 1.34 H new ATOM 796 N HIS A 51 -15.011 -3.132 -1.364 1.00 1.28 N ATOM 797 CA HIS A 51 -16.107 -2.668 -0.509 1.00 1.53 C ATOM 798 C HIS A 51 -17.405 -2.597 -1.317 1.00 1.61 C ATOM 799 O HIS A 51 -17.398 -2.172 -2.476 1.00 2.07 O ATOM 800 CB HIS A 51 -15.769 -1.273 0.051 1.00 2.01 C ATOM 801 CG HIS A 51 -15.155 -1.299 1.424 1.00 2.54 C ATOM 802 ND1 HIS A 51 -15.893 -1.292 2.578 1.00 3.19 N ATOM 803 CD2 HIS A 51 -13.863 -1.339 1.838 1.00 2.89 C ATOM 804 CE1 HIS A 51 -15.120 -1.330 3.636 1.00 3.87 C ATOM 805 NE2 HIS A 51 -13.865 -1.358 3.221 1.00 3.74 N ATOM 0 H HIS A 51 -15.124 -2.890 -2.348 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.238 -3.368 0.316 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -15.083 -0.774 -0.634 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -16.680 -0.675 0.082 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -12.990 -1.353 1.202 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -15.450 -1.337 4.664 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -13.039 -1.388 3.819 1.00 3.74 H new ATOM 813 N SER A 52 -18.511 -3.010 -0.693 1.00 1.60 N ATOM 814 CA SER A 52 -19.844 -3.008 -1.315 1.00 1.96 C ATOM 815 C SER A 52 -19.904 -4.017 -2.467 1.00 1.85 C ATOM 816 O SER A 52 -19.597 -3.685 -3.611 1.00 2.45 O ATOM 817 CB SER A 52 -20.225 -1.599 -1.803 1.00 2.44 C ATOM 818 OG SER A 52 -20.045 -0.642 -0.764 1.00 2.65 O ATOM 0 H SER A 52 -18.510 -3.358 0.266 1.00 1.60 H new ATOM 0 HA SER A 52 -20.569 -3.308 -0.559 1.00 1.96 H new ATOM 0 HB2 SER A 52 -19.613 -1.329 -2.664 1.00 2.44 H new ATOM 0 HB3 SER A 52 -21.263 -1.592 -2.135 1.00 2.44 H new ATOM 0 HG SER A 52 -20.290 0.248 -1.093 1.00 2.65 H new ATOM 824 N GLU A 53 -20.289 -5.251 -2.139 1.00 1.45 N ATOM 825 CA GLU A 53 -20.393 -6.355 -3.109 1.00 1.37 C ATOM 826 C GLU A 53 -18.998 -6.790 -3.568 1.00 1.08 C ATOM 827 O GLU A 53 -18.544 -6.410 -4.652 1.00 1.24 O ATOM 828 CB GLU A 53 -21.256 -5.966 -4.331 1.00 1.73 C ATOM 829 CG GLU A 53 -22.637 -5.424 -3.932 1.00 2.39 C ATOM 830 CD GLU A 53 -23.486 -6.511 -3.286 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.248 -7.705 -3.560 1.00 3.46 O ATOM 832 OE2 GLU A 53 -24.393 -6.174 -2.501 1.00 3.23 O ATOM 0 H GLU A 53 -20.540 -5.520 -1.188 1.00 1.45 H new ATOM 0 HA GLU A 53 -20.885 -7.188 -2.607 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.730 -5.213 -4.917 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.384 -6.838 -4.973 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.518 -4.591 -3.239 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -23.147 -5.035 -4.813 1.00 2.39 H new ATOM 839 N VAL A 54 -18.321 -7.588 -2.736 1.00 0.84 N ATOM 840 CA VAL A 54 -16.974 -8.078 -3.057 1.00 0.66 C ATOM 841 C VAL A 54 -17.049 -9.447 -3.754 1.00 0.55 C ATOM 842 O VAL A 54 -16.489 -9.612 -4.836 1.00 0.49 O ATOM 843 CB VAL A 54 -16.077 -8.145 -1.801 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.617 -7.919 -2.188 1.00 0.77 C ATOM 845 CG2 VAL A 54 -16.503 -7.115 -0.747 1.00 1.34 C ATOM 0 H VAL A 54 -18.681 -7.908 -1.837 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.517 -7.366 -3.744 1.00 0.66 H new ATOM 0 HB VAL A 54 -16.189 -9.138 -1.365 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.992 -7.968 -1.296 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.304 -8.689 -2.893 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.511 -6.938 -2.652 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -15.849 -7.192 0.122 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -16.430 -6.112 -1.168 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -17.532 -7.308 -0.445 1.00 1.34 H new ATOM 855 N PRO A 55 -17.741 -10.452 -3.162 1.00 0.62 N ATOM 856 CA PRO A 55 -17.879 -11.789 -3.752 1.00 0.59 C ATOM 857 C PRO A 55 -19.194 -11.906 -4.539 1.00 0.58 C ATOM 858 O PRO A 55 -20.275 -11.861 -3.945 1.00 0.83 O ATOM 859 CB PRO A 55 -17.892 -12.698 -2.519 1.00 0.76 C ATOM 860 CG PRO A 55 -18.382 -11.839 -1.379 1.00 0.87 C ATOM 861 CD PRO A 55 -18.463 -10.405 -1.878 1.00 0.83 C ATOM 0 HA PRO A 55 -17.091 -12.036 -4.463 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -18.548 -13.555 -2.672 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.896 -13.091 -2.313 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -19.359 -12.180 -1.037 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -17.704 -11.910 -0.529 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -19.496 -10.082 -2.009 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -17.998 -9.709 -1.180 1.00 0.83 H new ATOM 869 N VAL A 56 -19.105 -12.042 -5.865 1.00 0.41 N ATOM 870 CA VAL A 56 -20.293 -12.147 -6.720 1.00 0.43 C ATOM 871 C VAL A 56 -20.146 -13.335 -7.674 1.00 0.42 C ATOM 872 O VAL A 56 -19.086 -13.548 -8.265 1.00 0.43 O ATOM 873 CB VAL A 56 -20.486 -10.836 -7.500 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.710 -10.913 -8.418 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.617 -9.651 -6.535 1.00 0.63 C ATOM 0 H VAL A 56 -18.221 -12.082 -6.372 1.00 0.41 H new ATOM 0 HA VAL A 56 -21.174 -12.314 -6.101 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.605 -10.685 -8.124 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.821 -9.972 -8.956 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.579 -11.726 -9.132 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.603 -11.096 -7.820 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.753 -8.731 -7.104 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.478 -9.805 -5.884 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.714 -9.573 -5.930 1.00 0.63 H new ATOM 885 N SER A 57 -21.219 -14.106 -7.814 1.00 0.47 N ATOM 886 CA SER A 57 -21.240 -15.278 -8.679 1.00 0.48 C ATOM 887 C SER A 57 -21.773 -14.915 -10.067 1.00 0.46 C ATOM 888 O SER A 57 -22.590 -14.002 -10.215 1.00 0.59 O ATOM 889 CB SER A 57 -22.104 -16.367 -8.037 1.00 0.61 C ATOM 890 OG SER A 57 -21.288 -17.303 -7.335 1.00 0.91 O ATOM 0 H SER A 57 -22.100 -13.935 -7.329 1.00 0.47 H new ATOM 0 HA SER A 57 -20.223 -15.652 -8.799 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.820 -15.914 -7.351 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.680 -16.882 -8.805 1.00 0.61 H new ATOM 0 HG SER A 57 -21.855 -17.991 -6.929 1.00 0.91 H new ATOM 896 N LEU A 58 -21.307 -15.650 -11.075 1.00 0.44 N ATOM 897 CA LEU A 58 -21.719 -15.449 -12.465 1.00 0.49 C ATOM 898 C LEU A 58 -22.652 -16.585 -12.896 1.00 0.60 C ATOM 899 O LEU A 58 -22.481 -17.175 -13.963 1.00 0.89 O ATOM 900 CB LEU A 58 -20.483 -15.409 -13.378 1.00 0.67 C ATOM 901 CG LEU A 58 -19.582 -14.212 -13.064 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.251 -14.340 -13.806 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.275 -12.897 -13.427 1.00 0.60 C ATOM 0 H LEU A 58 -20.631 -16.404 -10.952 1.00 0.44 H new ATOM 0 HA LEU A 58 -22.249 -14.500 -12.548 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.915 -16.332 -13.261 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.802 -15.361 -14.419 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.384 -14.205 -11.992 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.621 -13.482 -13.573 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.747 -15.255 -13.495 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.435 -14.374 -14.880 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.615 -12.061 -13.195 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.508 -12.890 -14.492 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -21.197 -12.801 -12.853 1.00 0.60 H new ATOM 915 N LYS A 59 -23.645 -16.882 -12.058 1.00 0.70 N ATOM 916 CA LYS A 59 -24.621 -17.935 -12.339 1.00 0.90 C ATOM 917 C LYS A 59 -25.729 -17.352 -13.215 1.00 0.87 C ATOM 918 O LYS A 59 -26.607 -16.641 -12.725 1.00 0.95 O ATOM 919 CB LYS A 59 -25.188 -18.488 -11.013 1.00 1.13 C ATOM 920 CG LYS A 59 -25.279 -20.018 -11.027 1.00 1.41 C ATOM 921 CD LYS A 59 -26.539 -20.506 -11.751 1.00 1.78 C ATOM 922 CE LYS A 59 -27.207 -21.667 -11.007 1.00 2.18 C ATOM 923 NZ LYS A 59 -26.361 -22.893 -11.014 1.00 2.83 N ATOM 0 H LYS A 59 -23.795 -16.403 -11.170 1.00 0.70 H new ATOM 0 HA LYS A 59 -24.148 -18.761 -12.870 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.554 -18.169 -10.186 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -26.178 -18.067 -10.837 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.396 -20.430 -11.516 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -25.280 -20.392 -10.003 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -27.245 -19.681 -11.848 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -26.279 -20.823 -12.761 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -27.408 -21.371 -9.977 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -28.169 -21.888 -11.468 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.849 -23.654 -10.501 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -26.190 -23.191 -11.996 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -25.452 -22.690 -10.551 1.00 2.83 H new ATOM 937 N GLU A 60 -25.656 -17.632 -14.521 1.00 0.89 N ATOM 938 CA GLU A 60 -26.625 -17.123 -15.504 1.00 0.93 C ATOM 939 C GLU A 60 -26.525 -15.595 -15.616 1.00 0.71 C ATOM 940 O GLU A 60 -27.539 -14.892 -15.588 1.00 0.82 O ATOM 941 CB GLU A 60 -28.061 -17.526 -15.130 1.00 1.20 C ATOM 942 CG GLU A 60 -28.198 -19.032 -14.878 1.00 1.43 C ATOM 943 CD GLU A 60 -29.564 -19.346 -14.274 1.00 1.80 C ATOM 944 OE1 GLU A 60 -30.102 -18.496 -13.536 1.00 2.33 O ATOM 945 OE2 GLU A 60 -30.099 -20.446 -14.531 1.00 2.04 O ATOM 0 H GLU A 60 -24.926 -18.217 -14.928 1.00 0.89 H new ATOM 0 HA GLU A 60 -26.383 -17.569 -16.469 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -28.367 -16.981 -14.237 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.739 -17.231 -15.931 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -28.073 -19.577 -15.814 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -27.409 -19.368 -14.205 1.00 1.43 H new ATOM 952 N ALA A 61 -25.299 -15.085 -15.738 1.00 0.51 N ATOM 953 CA ALA A 61 -25.064 -13.645 -15.849 1.00 0.35 C ATOM 954 C ALA A 61 -25.307 -13.183 -17.280 1.00 0.35 C ATOM 955 O ALA A 61 -24.449 -13.357 -18.152 1.00 0.43 O ATOM 956 CB ALA A 61 -23.628 -13.307 -15.432 1.00 0.31 C ATOM 0 H ALA A 61 -24.450 -15.650 -15.763 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.756 -13.128 -15.185 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.467 -12.233 -15.519 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.467 -13.615 -14.399 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.927 -13.833 -16.081 1.00 0.31 H new ATOM 962 N ILE A 62 -26.472 -12.575 -17.515 1.00 0.34 N ATOM 963 CA ILE A 62 -26.819 -12.060 -18.841 1.00 0.37 C ATOM 964 C ILE A 62 -25.988 -10.808 -19.101 1.00 0.31 C ATOM 965 O ILE A 62 -25.874 -9.940 -18.226 1.00 0.31 O ATOM 966 CB ILE A 62 -28.319 -11.741 -18.933 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.163 -12.959 -18.529 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.681 -11.287 -20.353 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.657 -12.638 -18.544 1.00 1.27 C ATOM 0 H ILE A 62 -27.190 -12.428 -16.805 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.602 -12.816 -19.595 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.539 -10.930 -18.239 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.961 -13.785 -19.211 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.871 -13.290 -17.532 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.747 -11.064 -20.403 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.111 -10.393 -20.605 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.442 -12.081 -21.061 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.222 -13.523 -18.253 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.862 -11.829 -17.843 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.953 -12.332 -19.547 1.00 1.27 H new ATOM 981 N CYS A 63 -25.387 -10.727 -20.279 1.00 0.34 N ATOM 982 CA CYS A 63 -24.534 -9.596 -20.637 1.00 0.33 C ATOM 983 C CYS A 63 -25.025 -8.945 -21.935 1.00 0.34 C ATOM 984 O CYS A 63 -25.073 -9.586 -22.990 1.00 0.52 O ATOM 985 CB CYS A 63 -23.084 -10.087 -20.768 1.00 0.37 C ATOM 986 SG CYS A 63 -21.880 -8.788 -20.441 1.00 0.53 S ATOM 0 H CYS A 63 -25.473 -11.434 -21.009 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.579 -8.836 -19.857 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.920 -10.912 -20.075 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.926 -10.479 -21.773 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.692 -9.309 -20.357 1.00 0.53 H new ATOM 992 N GLU A 64 -25.385 -7.663 -21.844 1.00 0.26 N ATOM 993 CA GLU A 64 -25.875 -6.887 -22.989 1.00 0.29 C ATOM 994 C GLU A 64 -24.873 -5.783 -23.317 1.00 0.24 C ATOM 995 O GLU A 64 -24.418 -5.073 -22.423 1.00 0.36 O ATOM 996 CB GLU A 64 -27.229 -6.257 -22.659 1.00 0.33 C ATOM 997 CG GLU A 64 -28.268 -7.309 -22.271 1.00 0.81 C ATOM 998 CD GLU A 64 -29.597 -6.630 -21.989 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.826 -6.217 -20.837 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.409 -6.485 -22.922 1.00 1.83 O ATOM 0 H GLU A 64 -25.346 -7.132 -20.974 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.990 -7.552 -23.845 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.109 -5.546 -21.841 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.587 -5.694 -23.521 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.383 -8.036 -23.075 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.934 -7.858 -21.390 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.537 -5.632 -24.592 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.592 -4.604 -25.025 1.00 0.32 C ATOM 1009 C VAL A 65 -24.291 -3.241 -25.095 1.00 0.31 C ATOM 1010 O VAL A 65 -25.350 -3.102 -25.715 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.998 -4.984 -26.392 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.938 -3.969 -26.826 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.402 -6.398 -26.351 1.00 0.39 C ATOM 0 H VAL A 65 -24.905 -6.209 -25.348 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.780 -4.534 -24.301 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.804 -4.971 -27.125 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.532 -4.259 -27.795 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.391 -2.980 -26.903 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.135 -3.944 -26.089 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -21.987 -6.647 -27.328 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.612 -6.438 -25.601 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.183 -7.115 -26.095 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.682 -2.244 -24.459 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.195 -0.874 -24.430 1.00 0.31 C ATOM 1025 C ALA A 66 -23.158 0.041 -25.083 1.00 0.34 C ATOM 1026 O ALA A 66 -22.363 0.710 -24.405 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.483 -0.449 -22.982 1.00 0.36 C ATOM 0 H ALA A 66 -22.810 -2.364 -23.944 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.132 -0.806 -24.982 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.864 0.572 -22.971 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.226 -1.118 -22.547 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.564 -0.499 -22.398 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.152 0.034 -26.415 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.211 0.824 -27.213 1.00 0.71 C ATOM 1035 C LEU A 67 -22.579 2.311 -27.197 1.00 0.89 C ATOM 1036 O LEU A 67 -21.697 3.170 -27.159 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.190 0.297 -28.658 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.926 0.738 -29.408 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -19.866 -0.358 -29.363 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -21.255 1.098 -30.855 1.00 1.39 C ATOM 0 H LEU A 67 -23.800 -0.520 -26.974 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.218 0.723 -26.774 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.246 -0.792 -28.649 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.071 0.657 -29.189 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.530 1.625 -28.914 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -18.977 -0.027 -29.900 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -19.605 -0.570 -28.326 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.257 -1.262 -29.831 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -20.345 1.408 -31.369 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.678 0.229 -31.359 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.977 1.914 -30.872 1.00 1.39 H new ATOM 1052 N ASP A 68 -23.877 2.615 -27.238 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.347 4.008 -27.242 1.00 1.14 C ATOM 1054 C ASP A 68 -24.567 4.537 -25.816 1.00 0.87 C ATOM 1055 O ASP A 68 -25.509 5.290 -25.558 1.00 1.00 O ATOM 1056 CB ASP A 68 -25.634 4.124 -28.073 1.00 1.59 C ATOM 1057 CG ASP A 68 -25.828 5.556 -28.568 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -24.836 6.189 -28.978 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -26.975 6.051 -28.546 1.00 2.62 O ATOM 0 H ASP A 68 -24.623 1.920 -27.269 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.573 4.626 -27.698 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -25.587 3.443 -28.923 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.491 3.823 -27.470 1.00 1.59 H new ATOM 1064 N TYR A 69 -23.663 4.174 -24.907 1.00 0.81 N ATOM 1065 CA TYR A 69 -23.705 4.634 -23.513 1.00 0.69 C ATOM 1066 C TYR A 69 -22.468 5.502 -23.257 1.00 0.97 C ATOM 1067 O TYR A 69 -21.842 5.409 -22.202 1.00 1.47 O ATOM 1068 CB TYR A 69 -23.752 3.428 -22.551 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.498 3.716 -21.261 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -25.885 3.695 -21.240 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.799 4.000 -20.098 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.566 3.957 -20.062 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.486 4.264 -18.921 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.863 4.242 -18.911 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.547 4.497 -17.742 1.00 0.97 O ATOM 0 H TYR A 69 -22.880 3.553 -25.113 1.00 0.81 H new ATOM 0 HA TYR A 69 -24.604 5.224 -23.336 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.227 2.587 -23.057 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -22.733 3.123 -22.313 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.435 3.474 -22.143 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.719 4.016 -20.108 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.646 3.938 -20.046 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.942 4.486 -18.015 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.003 3.682 -17.446 1.00 0.97 H new ATOM 1173 N HIS A 74 -16.721 2.053 -24.194 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.819 1.082 -24.376 1.00 0.38 C ATOM 1175 C HIS A 74 -18.249 0.471 -23.045 1.00 0.30 C ATOM 1176 O HIS A 74 -17.421 0.183 -22.172 1.00 0.37 O ATOM 1177 CB HIS A 74 -17.455 -0.023 -25.391 1.00 0.64 C ATOM 1178 CG HIS A 74 -17.111 0.513 -26.752 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -17.298 1.822 -27.115 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.570 -0.076 -27.846 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -16.898 2.034 -28.341 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -16.446 0.892 -28.827 1.00 1.53 N ATOM 0 HA HIS A 74 -18.663 1.637 -24.785 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -16.609 -0.594 -25.008 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -18.293 -0.715 -25.481 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -16.287 -1.114 -27.936 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -16.931 2.978 -28.865 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -16.070 0.748 -29.764 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.563 0.298 -22.890 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.146 -0.251 -21.669 1.00 0.23 C ATOM 1192 C VAL A 75 -20.971 -1.499 -21.983 1.00 0.22 C ATOM 1193 O VAL A 75 -21.453 -1.674 -23.103 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.044 0.829 -21.028 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.585 0.387 -19.666 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.293 2.158 -20.891 1.00 0.31 C ATOM 0 H VAL A 75 -20.249 0.534 -23.606 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.351 -0.536 -20.980 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.894 0.972 -21.695 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.212 1.176 -19.250 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.176 -0.521 -19.787 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.753 0.191 -18.990 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.948 2.901 -20.437 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.414 2.016 -20.262 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.981 2.503 -21.877 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.162 -2.343 -20.980 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.974 -3.546 -21.114 1.00 0.23 C ATOM 1208 C PHE A 76 -22.748 -3.742 -19.818 1.00 0.22 C ATOM 1209 O PHE A 76 -22.211 -3.543 -18.723 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.137 -4.784 -21.479 1.00 0.26 C ATOM 1211 CG PHE A 76 -20.026 -5.129 -20.508 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.281 -5.943 -19.416 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.758 -4.594 -20.688 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.273 -6.229 -18.510 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.750 -4.874 -19.779 1.00 0.28 C ATOM 1216 CZ PHE A 76 -17.973 -5.827 -18.776 1.00 0.29 C ATOM 0 H PHE A 76 -20.760 -2.215 -20.051 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.670 -3.419 -21.943 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.805 -5.642 -21.560 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.699 -4.627 -22.465 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.268 -6.356 -19.271 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.557 -3.959 -21.538 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.499 -6.764 -17.599 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.801 -4.362 -19.843 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.146 -6.242 -18.219 1.00 0.29 H new ATOM 1226 N LYS A 77 -24.020 -4.095 -19.946 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.897 -4.281 -18.792 1.00 0.28 C ATOM 1228 C LYS A 77 -24.883 -5.735 -18.331 1.00 0.31 C ATOM 1229 O LYS A 77 -25.180 -6.647 -19.103 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.325 -3.844 -19.138 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.248 -3.932 -17.914 1.00 1.20 C ATOM 1232 CD LYS A 77 -28.361 -2.882 -17.958 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.652 -3.454 -18.548 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.498 -3.765 -19.993 1.00 1.95 N ATOM 0 H LYS A 77 -24.473 -4.260 -20.845 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.528 -3.661 -17.975 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.313 -2.821 -19.514 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.717 -4.473 -19.937 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.690 -4.927 -17.864 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.660 -3.799 -17.006 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.553 -2.512 -16.951 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -28.034 -2.030 -18.554 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.931 -4.359 -18.008 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -30.463 -2.739 -18.413 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.344 -3.449 -20.508 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -28.661 -3.273 -20.367 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.381 -4.791 -20.117 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.554 -5.928 -17.060 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.511 -7.252 -16.445 1.00 0.24 C ATOM 1250 C LEU A 78 -25.771 -7.450 -15.607 1.00 0.29 C ATOM 1251 O LEU A 78 -26.003 -6.723 -14.637 1.00 0.36 O ATOM 1252 CB LEU A 78 -23.246 -7.392 -15.580 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.238 -8.358 -16.207 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -21.029 -8.525 -15.293 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.879 -9.718 -16.499 1.00 0.30 C ATOM 0 H LEU A 78 -24.309 -5.170 -16.423 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.474 -8.020 -17.218 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.782 -6.414 -15.452 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -23.521 -7.747 -14.587 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.909 -7.934 -17.155 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -20.320 -9.215 -15.750 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -20.550 -7.558 -15.143 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -21.352 -8.922 -14.331 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.138 -10.382 -16.944 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.246 -10.154 -15.570 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -23.711 -9.587 -17.191 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.582 -8.422 -16.004 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.845 -8.736 -15.326 1.00 0.40 C ATOM 1269 C ARG A 79 -27.715 -10.050 -14.556 1.00 0.45 C ATOM 1270 O ARG A 79 -27.836 -11.134 -15.138 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.977 -8.848 -16.365 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.762 -7.544 -16.496 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.511 -7.488 -17.825 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.528 -6.432 -17.800 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.552 -6.436 -18.652 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.322 -6.420 -19.956 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -33.792 -6.467 -18.197 1.00 2.93 N ATOM 0 H ARG A 79 -26.387 -9.020 -16.807 1.00 0.31 H new ATOM 0 HA ARG A 79 -28.080 -7.937 -14.622 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.555 -9.117 -17.334 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -29.655 -9.652 -16.078 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -30.470 -7.457 -15.672 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.081 -6.696 -16.422 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -29.808 -7.304 -18.637 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.983 -8.450 -18.024 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.450 -5.679 -17.116 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -31.364 -6.405 -20.305 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -33.103 -6.423 -20.612 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -33.966 -6.488 -17.192 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -34.575 -6.470 -18.851 1.00 2.93 H new ATOM 1291 N LEU A 80 -27.463 -9.953 -13.252 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.320 -11.122 -12.395 1.00 0.68 C ATOM 1293 C LEU A 80 -28.675 -11.785 -12.167 1.00 0.84 C ATOM 1294 O LEU A 80 -29.715 -11.117 -12.136 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.707 -10.708 -11.055 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.277 -10.226 -11.243 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -25.240 -8.783 -11.691 1.00 1.26 C ATOM 1298 CD2 LEU A 80 -24.466 -10.413 -9.965 1.00 1.06 C ATOM 0 H LEU A 80 -27.353 -9.064 -12.764 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.662 -11.839 -12.885 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.306 -9.917 -10.604 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.724 -11.552 -10.366 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.824 -10.833 -12.027 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -24.204 -8.468 -11.817 1.00 1.26 H new ATOM 0 HD12 LEU A 80 -25.768 -8.683 -12.640 1.00 1.26 H new ATOM 0 HD13 LEU A 80 -25.722 -8.156 -10.940 1.00 1.26 H new ATOM 0 HD21 LEU A 80 -23.447 -10.061 -10.126 1.00 1.06 H new ATOM 0 HD22 LEU A 80 -24.924 -9.843 -9.157 1.00 1.06 H new ATOM 0 HD23 LEU A 80 -24.447 -11.470 -9.698 1.00 1.06 H new ATOM 1310 N SER A 81 -28.644 -13.097 -11.983 1.00 1.01 N ATOM 1311 CA SER A 81 -29.857 -13.888 -11.729 1.00 1.23 C ATOM 1312 C SER A 81 -30.373 -13.623 -10.302 1.00 1.40 C ATOM 1313 O SER A 81 -31.479 -14.027 -9.944 1.00 1.92 O ATOM 1314 CB SER A 81 -29.575 -15.385 -11.947 1.00 1.52 C ATOM 1315 OG SER A 81 -30.621 -15.996 -12.698 1.00 2.18 O ATOM 0 H SER A 81 -27.786 -13.648 -12.004 1.00 1.01 H new ATOM 0 HA SER A 81 -30.632 -13.586 -12.433 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.627 -15.508 -12.470 1.00 1.52 H new ATOM 0 HB3 SER A 81 -29.474 -15.884 -10.983 1.00 1.52 H new ATOM 0 HG SER A 81 -30.336 -16.887 -12.990 1.00 2.18 H new ATOM 1321 N ASP A 82 -29.562 -12.909 -9.514 1.00 1.33 N ATOM 1322 CA ASP A 82 -29.898 -12.529 -8.135 1.00 1.76 C ATOM 1323 C ASP A 82 -30.875 -11.344 -8.147 1.00 1.31 C ATOM 1324 O ASP A 82 -31.582 -11.101 -7.169 1.00 1.74 O ATOM 1325 CB ASP A 82 -28.605 -12.154 -7.389 1.00 2.76 C ATOM 1326 CG ASP A 82 -28.852 -11.953 -5.894 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -29.280 -12.914 -5.222 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -28.633 -10.833 -5.394 1.00 3.98 O ATOM 0 H ASP A 82 -28.647 -12.575 -9.816 1.00 1.33 H new ATOM 0 HA ASP A 82 -30.376 -13.365 -7.625 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -27.862 -12.938 -7.533 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -28.191 -11.240 -7.815 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.901 -10.616 -9.270 1.00 1.09 N ATOM 1334 CA GLY A 83 -31.779 -9.459 -9.451 1.00 1.53 C ATOM 1335 C GLY A 83 -30.974 -8.228 -9.859 1.00 1.31 C ATOM 1336 O GLY A 83 -31.331 -7.535 -10.835 1.00 1.88 O ATOM 0 H GLY A 83 -30.312 -10.815 -10.079 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -32.527 -9.679 -10.213 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -32.318 -9.257 -8.525 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.901 -7.959 -9.082 1.00 0.93 N ATOM 1341 CA ASN A 84 -29.005 -6.802 -9.280 1.00 0.71 C ATOM 1342 C ASN A 84 -28.589 -6.600 -10.749 1.00 0.62 C ATOM 1343 O ASN A 84 -28.309 -7.561 -11.479 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.749 -6.964 -8.408 1.00 0.84 C ATOM 1345 CG ASN A 84 -28.090 -6.886 -6.914 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -29.112 -7.413 -6.465 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.216 -6.261 -6.141 1.00 1.32 N ATOM 0 H ASN A 84 -29.632 -8.546 -8.293 1.00 0.93 H new ATOM 0 HA ASN A 84 -29.567 -5.916 -8.985 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -27.275 -7.921 -8.625 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -27.027 -6.187 -8.659 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.375 -6.202 -5.135 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.383 -5.838 -6.551 1.00 1.32 H new ATOM 1354 N GLU A 85 -28.551 -5.328 -11.152 1.00 0.59 N ATOM 1355 CA GLU A 85 -28.180 -4.910 -12.508 1.00 0.55 C ATOM 1356 C GLU A 85 -27.049 -3.866 -12.441 1.00 0.47 C ATOM 1357 O GLU A 85 -27.231 -2.792 -11.853 1.00 0.60 O ATOM 1358 CB GLU A 85 -29.411 -4.300 -13.195 1.00 0.70 C ATOM 1359 CG GLU A 85 -30.306 -5.380 -13.797 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.336 -4.752 -14.728 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.024 -4.544 -15.918 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.459 -4.459 -14.274 1.00 1.39 O ATOM 0 H GLU A 85 -28.780 -4.547 -10.537 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.830 -5.772 -13.076 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.980 -3.715 -12.472 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.089 -3.614 -13.978 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.700 -6.100 -14.347 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.811 -5.929 -13.002 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.890 -4.172 -13.045 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.734 -3.248 -13.052 1.00 0.31 C ATOM 1371 C TYR A 86 -24.267 -2.945 -14.477 1.00 0.29 C ATOM 1372 O TYR A 86 -24.477 -3.734 -15.399 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.535 -3.835 -12.283 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.876 -4.421 -10.935 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -24.026 -3.589 -9.844 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -24.053 -5.783 -10.794 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -24.355 -4.113 -8.606 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -24.379 -6.314 -9.556 1.00 0.62 C ATOM 1379 CZ TYR A 86 -24.468 -5.512 -8.468 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.853 -6.011 -7.244 1.00 0.77 O ATOM 0 H TYR A 86 -25.724 -5.051 -13.536 1.00 0.33 H new ATOM 0 HA TYR A 86 -25.077 -2.334 -12.568 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -23.073 -4.610 -12.894 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.790 -3.051 -12.145 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.886 -2.524 -9.957 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.937 -6.434 -11.648 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.522 -3.462 -7.761 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -24.563 -7.374 -9.458 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.892 -6.989 -7.287 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.577 -1.817 -14.617 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.990 -1.376 -15.881 1.00 0.23 C ATOM 1392 C LEU A 87 -21.477 -1.462 -15.742 1.00 0.22 C ATOM 1393 O LEU A 87 -20.907 -0.901 -14.796 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.367 0.082 -16.199 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.846 0.269 -16.536 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.047 1.595 -17.264 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.385 -0.885 -17.378 1.00 0.38 C ATOM 0 H LEU A 87 -23.407 -1.173 -13.845 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.364 -2.009 -16.686 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.115 0.709 -15.344 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.764 0.430 -17.038 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.405 0.280 -15.600 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.103 1.723 -17.502 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.717 2.414 -16.625 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -24.465 1.596 -18.186 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.439 -0.715 -17.596 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -24.826 -0.946 -18.312 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.275 -1.819 -16.828 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.831 -2.157 -16.669 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.381 -2.315 -16.650 1.00 0.19 C ATOM 1411 C PHE A 88 -18.784 -1.680 -17.896 1.00 0.20 C ATOM 1412 O PHE A 88 -19.136 -2.044 -19.017 1.00 0.27 O ATOM 1413 CB PHE A 88 -19.020 -3.796 -16.572 1.00 0.20 C ATOM 1414 CG PHE A 88 -19.111 -4.321 -15.165 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -18.054 -4.154 -14.285 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.249 -4.996 -14.761 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.135 -4.665 -13.004 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.334 -5.501 -13.482 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.282 -5.229 -12.560 1.00 0.22 C ATOM 0 H PHE A 88 -21.292 -2.624 -17.450 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.971 -1.816 -15.772 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.688 -4.367 -17.217 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -18.008 -3.944 -16.950 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.167 -3.625 -14.600 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -21.071 -5.127 -15.449 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.276 -4.614 -12.352 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -21.185 -6.094 -13.183 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.399 -5.471 -11.514 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.889 -0.723 -17.690 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.230 -0.006 -18.787 1.00 0.26 C ATOM 1431 C GLN A 89 -15.751 -0.385 -18.837 1.00 0.22 C ATOM 1432 O GLN A 89 -15.060 -0.371 -17.813 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.427 1.512 -18.599 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.249 2.349 -19.120 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.571 3.837 -19.004 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.111 4.510 -18.082 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -17.363 4.353 -19.931 1.00 1.63 N ATOM 0 H GLN A 89 -17.596 -0.418 -16.762 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.676 -0.288 -19.741 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.337 1.819 -19.114 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -17.573 1.724 -17.540 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.349 2.118 -18.550 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -16.043 2.094 -20.159 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -17.724 3.762 -20.680 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -17.612 5.342 -19.896 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.279 -0.717 -20.040 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.879 -1.103 -20.264 1.00 0.24 C ATOM 1448 C ALA A 90 -13.086 0.082 -20.816 1.00 0.27 C ATOM 1449 O ALA A 90 -13.654 1.118 -21.158 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.813 -2.298 -21.232 1.00 0.29 C ATOM 0 H ALA A 90 -15.851 -0.727 -20.885 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.435 -1.400 -19.314 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.772 -2.579 -21.393 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.354 -3.142 -20.805 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.266 -2.021 -22.184 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.766 -0.070 -20.888 1.00 0.35 N ATOM 1457 CA LYS A 91 -10.883 0.990 -21.385 1.00 0.44 C ATOM 1458 C LYS A 91 -10.619 0.857 -22.897 1.00 0.49 C ATOM 1459 O LYS A 91 -9.934 1.698 -23.483 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.559 0.967 -20.600 1.00 0.65 C ATOM 1461 CG LYS A 91 -8.900 -0.418 -20.576 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.661 -0.452 -21.464 1.00 1.43 C ATOM 1463 CE LYS A 91 -6.986 -1.827 -21.466 1.00 1.86 C ATOM 1464 NZ LYS A 91 -6.660 -2.307 -20.093 1.00 2.29 N ATOM 0 H LYS A 91 -11.279 -0.921 -20.607 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.382 1.947 -21.231 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -8.868 1.684 -21.043 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.744 1.293 -19.576 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -8.625 -0.676 -19.553 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -9.614 -1.170 -20.913 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -7.940 -0.185 -22.483 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -6.950 0.299 -21.121 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.642 -2.549 -21.953 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -6.071 -1.778 -22.057 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -5.965 -3.079 -20.151 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -6.262 -1.524 -19.537 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.525 -2.654 -19.632 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.165 -0.189 -23.527 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.985 -0.419 -24.973 1.00 0.66 C ATOM 1480 C ASP A 92 -11.958 -1.497 -25.466 1.00 0.59 C ATOM 1481 O ASP A 92 -12.384 -2.363 -24.693 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.531 -0.847 -25.264 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.245 -0.866 -26.766 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -8.965 0.208 -27.342 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.293 -1.956 -27.371 1.00 2.01 O ATOM 0 H ASP A 92 -11.737 -0.893 -23.061 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.194 0.510 -25.503 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.843 -0.162 -24.770 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.351 -1.837 -24.845 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.286 -1.444 -26.765 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.199 -2.410 -27.415 1.00 0.63 C ATOM 1492 C ASP A 93 -12.673 -3.847 -27.263 1.00 0.49 C ATOM 1493 O ASP A 93 -13.448 -4.779 -27.026 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.358 -2.049 -28.907 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.310 -3.007 -29.634 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -13.849 -4.053 -30.141 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -15.526 -2.726 -29.682 1.00 2.21 O ATOM 0 H ASP A 93 -11.928 -0.731 -27.400 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.172 -2.356 -26.928 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.733 -1.029 -28.995 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.382 -2.072 -29.391 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.348 -4.015 -27.380 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.712 -5.334 -27.242 1.00 0.41 C ATOM 1504 C GLU A 94 -10.970 -5.904 -25.841 1.00 0.36 C ATOM 1505 O GLU A 94 -11.376 -7.061 -25.696 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.205 -5.229 -27.508 1.00 0.49 C ATOM 1507 CG GLU A 94 -8.924 -4.874 -28.976 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.424 -4.758 -29.239 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -6.625 -5.095 -28.342 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.043 -4.332 -30.345 1.00 2.59 O ATOM 0 H GLU A 94 -10.696 -3.254 -27.570 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.147 -6.010 -27.978 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.770 -4.470 -26.858 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -8.723 -6.175 -27.261 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.352 -5.637 -29.626 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.413 -3.933 -29.225 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.765 -5.070 -24.814 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.000 -5.468 -23.420 1.00 0.29 C ATOM 1519 C GLU A 95 -12.493 -5.728 -23.190 1.00 0.24 C ATOM 1520 O GLU A 95 -12.867 -6.701 -22.534 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.506 -4.379 -22.455 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.319 -4.938 -21.034 1.00 0.42 C ATOM 1523 CD GLU A 95 -8.945 -4.583 -20.485 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -7.943 -5.114 -20.994 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.867 -3.784 -19.534 1.00 1.30 O ATOM 0 H GLU A 95 -10.435 -4.111 -24.923 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.443 -6.385 -23.226 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.562 -3.971 -22.815 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.221 -3.557 -22.434 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.091 -4.538 -20.377 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -10.441 -6.021 -21.046 1.00 0.42 H new ATOM 1532 N MET A 96 -13.338 -4.856 -23.753 1.00 0.24 N ATOM 1533 CA MET A 96 -14.802 -4.968 -23.641 1.00 0.22 C ATOM 1534 C MET A 96 -15.277 -6.350 -24.110 1.00 0.22 C ATOM 1535 O MET A 96 -16.047 -7.019 -23.422 1.00 0.23 O ATOM 1536 CB MET A 96 -15.469 -3.862 -24.480 1.00 0.26 C ATOM 1537 CG MET A 96 -16.971 -3.740 -24.196 1.00 0.39 C ATOM 1538 SD MET A 96 -17.934 -3.434 -25.692 1.00 0.94 S ATOM 1539 CE MET A 96 -17.677 -4.964 -26.612 1.00 0.77 C ATOM 0 H MET A 96 -13.029 -4.052 -24.299 1.00 0.24 H new ATOM 0 HA MET A 96 -15.086 -4.848 -22.596 1.00 0.22 H new ATOM 0 HB2 MET A 96 -14.984 -2.909 -24.271 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.318 -4.072 -25.539 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.324 -4.656 -23.722 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.139 -2.929 -23.487 1.00 0.39 H new ATOM 0 HE1 MET A 96 -16.938 -4.798 -27.395 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.320 -5.740 -25.935 1.00 0.77 H new ATOM 0 HE3 MET A 96 -18.618 -5.280 -27.062 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.791 -6.777 -25.278 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.143 -8.085 -25.847 1.00 0.28 C ATOM 1551 C ASN A 97 -14.559 -9.229 -24.997 1.00 0.26 C ATOM 1552 O ASN A 97 -15.230 -10.235 -24.759 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.628 -8.178 -27.294 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.257 -9.367 -28.031 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.448 -9.645 -27.881 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.463 -10.059 -28.835 1.00 1.24 N ATOM 0 H ASN A 97 -14.148 -6.233 -25.853 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.228 -8.184 -25.846 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.859 -7.254 -27.825 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.543 -8.281 -27.291 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.833 -10.854 -29.357 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.482 -9.797 -28.932 1.00 1.24 H new ATOM 1563 N THR A 98 -13.315 -9.061 -24.531 1.00 0.25 N ATOM 1564 CA THR A 98 -12.640 -10.071 -23.698 1.00 0.27 C ATOM 1565 C THR A 98 -13.427 -10.337 -22.399 1.00 0.23 C ATOM 1566 O THR A 98 -13.597 -11.489 -21.991 1.00 0.27 O ATOM 1567 CB THR A 98 -11.207 -9.609 -23.374 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.508 -9.283 -24.576 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.436 -10.688 -22.609 1.00 0.39 C ATOM 0 H THR A 98 -12.751 -8.232 -24.717 1.00 0.25 H new ATOM 0 HA THR A 98 -12.596 -11.005 -24.258 1.00 0.27 H new ATOM 0 HB THR A 98 -11.278 -8.723 -22.744 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.768 -8.386 -24.872 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.428 -10.332 -22.395 1.00 0.39 H new ATOM 0 HG22 THR A 98 -10.950 -10.908 -21.673 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.380 -11.593 -23.214 1.00 0.39 H new ATOM 1577 N TRP A 99 -13.905 -9.262 -21.761 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.677 -9.355 -20.511 1.00 0.20 C ATOM 1579 C TRP A 99 -16.028 -10.042 -20.742 1.00 0.21 C ATOM 1580 O TRP A 99 -16.370 -11.000 -20.050 1.00 0.24 O ATOM 1581 CB TRP A 99 -14.907 -7.945 -19.932 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.742 -7.426 -19.132 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -12.943 -6.361 -19.445 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.246 -7.949 -17.880 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.009 -6.208 -18.462 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.161 -7.154 -17.500 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.617 -9.010 -17.046 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.452 -7.385 -16.338 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.907 -9.246 -15.878 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.834 -8.438 -15.527 1.00 0.29 C ATOM 0 H TRP A 99 -13.770 -8.307 -22.093 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.104 -9.955 -19.804 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.112 -7.254 -20.750 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.794 -7.961 -19.298 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.036 -5.743 -20.326 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.293 -5.481 -18.451 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.452 -9.642 -17.311 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.616 -6.756 -16.068 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.192 -10.066 -15.236 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.293 -8.633 -14.613 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.794 -9.537 -21.715 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.120 -10.082 -22.045 1.00 0.24 C ATOM 1603 C ILE A 100 -18.049 -11.585 -22.364 1.00 0.28 C ATOM 1604 O ILE A 100 -18.866 -12.366 -21.870 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.723 -9.300 -23.225 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.078 -7.877 -22.779 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -19.968 -9.998 -23.785 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.590 -7.024 -23.938 1.00 0.29 C ATOM 0 H ILE A 100 -16.517 -8.744 -22.294 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.765 -9.968 -21.174 1.00 0.24 H new ATOM 0 HB ILE A 100 -17.977 -9.260 -24.018 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -19.837 -7.921 -21.998 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.198 -7.404 -22.342 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.367 -9.418 -24.617 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.700 -10.995 -24.134 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.723 -10.078 -23.003 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.829 -6.024 -23.576 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.821 -6.957 -24.708 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.486 -7.481 -24.359 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.071 -11.988 -23.179 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.906 -13.400 -23.550 1.00 0.35 C ATOM 1622 C GLN A 101 -16.489 -14.245 -22.343 1.00 0.36 C ATOM 1623 O GLN A 101 -17.001 -15.344 -22.151 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.876 -13.539 -24.676 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.469 -13.108 -26.023 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.662 -13.691 -27.179 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.730 -13.061 -27.677 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -16.016 -14.892 -27.609 1.00 1.76 N ATOM 0 H GLN A 101 -16.382 -11.361 -23.595 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.869 -13.769 -23.904 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.000 -12.931 -24.449 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.538 -14.573 -24.738 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.505 -13.440 -26.093 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.477 -12.020 -26.091 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -16.795 -15.382 -27.169 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -15.510 -15.327 -28.380 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.574 -13.724 -21.520 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.105 -14.437 -20.321 1.00 0.37 C ATOM 1639 C ALA A 102 -16.267 -14.710 -19.359 1.00 0.38 C ATOM 1640 O ALA A 102 -16.414 -15.825 -18.854 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.010 -13.624 -19.622 1.00 0.38 C ATOM 0 H ALA A 102 -15.141 -12.811 -21.660 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.690 -15.397 -20.629 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.669 -14.159 -18.736 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.172 -13.480 -20.304 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.409 -12.653 -19.328 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.097 -13.689 -19.131 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.271 -13.799 -18.246 1.00 0.38 C ATOM 1649 C ILE A 103 -19.309 -14.771 -18.830 1.00 0.47 C ATOM 1650 O ILE A 103 -20.024 -15.447 -18.088 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.892 -12.404 -18.046 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.942 -11.510 -17.236 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.263 -12.479 -17.355 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.125 -10.033 -17.581 1.00 0.35 C ATOM 0 H ILE A 103 -16.980 -12.766 -19.549 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.951 -14.194 -17.282 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.044 -11.970 -19.034 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.121 -11.660 -16.171 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.911 -11.804 -17.431 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.665 -11.473 -17.234 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.946 -13.071 -17.964 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.152 -12.946 -16.376 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.436 -9.433 -16.988 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.921 -9.879 -18.641 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.149 -9.732 -17.361 1.00 0.35 H new ATOM 1666 N SER A 104 -19.387 -14.836 -20.160 1.00 0.53 N ATOM 1667 CA SER A 104 -20.332 -15.721 -20.844 1.00 0.66 C ATOM 1668 C SER A 104 -19.790 -17.159 -20.934 1.00 0.72 C ATOM 1669 O SER A 104 -20.560 -18.106 -21.105 1.00 0.89 O ATOM 1670 CB SER A 104 -20.621 -15.174 -22.246 1.00 0.81 C ATOM 1671 OG SER A 104 -21.062 -13.820 -22.176 1.00 1.05 O ATOM 0 H SER A 104 -18.804 -14.283 -20.788 1.00 0.53 H new ATOM 0 HA SER A 104 -21.256 -15.752 -20.266 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.722 -15.238 -22.859 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.382 -15.785 -22.731 1.00 0.81 H new ATOM 0 HG SER A 104 -20.306 -13.220 -22.349 1.00 1.05 H new ATOM 1677 N SER A 105 -18.465 -17.319 -20.822 1.00 0.80 N ATOM 1678 CA SER A 105 -17.825 -18.638 -20.897 1.00 1.13 C ATOM 1679 C SER A 105 -17.983 -19.408 -19.581 1.00 1.23 C ATOM 1680 O SER A 105 -18.481 -20.535 -19.579 1.00 1.61 O ATOM 1681 CB SER A 105 -16.341 -18.488 -21.249 1.00 1.48 C ATOM 1682 OG SER A 105 -16.193 -18.034 -22.588 1.00 1.63 O ATOM 0 H SER A 105 -17.813 -16.548 -20.679 1.00 0.80 H new ATOM 0 HA SER A 105 -18.321 -19.209 -21.682 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.868 -17.784 -20.565 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.833 -19.444 -21.124 1.00 1.48 H new ATOM 0 HG SER A 105 -16.438 -17.087 -22.641 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.564 -18.801 -18.470 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.661 -19.441 -17.152 1.00 1.59 C ATOM 1690 C ALA A 106 -17.406 -18.423 -16.042 1.00 2.40 C ATOM 1691 O ALA A 106 -17.400 -17.209 -16.329 1.00 3.00 O ATOM 1692 CB ALA A 106 -16.649 -20.589 -17.050 1.00 1.90 C ATOM 1693 OXT ALA A 106 -17.214 -18.839 -14.881 1.00 3.05 O ATOM 0 H ALA A 106 -17.154 -17.867 -18.454 1.00 1.29 H new ATOM 0 HA ALA A 106 -18.668 -19.840 -17.034 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -16.728 -21.058 -16.069 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -16.858 -21.328 -17.823 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -15.641 -20.198 -17.185 1.00 1.90 H new