USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1324 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 114 CYS SG : rot 93:sc= 0.407 USER MOD Set 1.2: A 120 GLN : amide:sc= -1.67 K(o=-1.3,f=-7.8!) USER MOD Set 2.1: A 69 TYR OH : rot 98:sc= 1.02 USER MOD Set 2.2: A 70 GLN : amide:sc= -0.489! K(o=0.53!,f=1.9) USER MOD Set 3.1: A 57 HIS : no HD1:sc= -9.2! C(o=-8.7!,f=-12!) USER MOD Set 3.2: A 59 TYR OH : rot 114:sc= 0.519 USER MOD Set 4.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 58 MET CE :methyl 169:sc= -0.196 (180deg=-0.401) USER MOD Set 5.1: A 20 TYR OH : rot -121:sc= 0.128 USER MOD Set 5.2: A 22 CYS SG : rot -105:sc= 0.509 USER MOD Set 5.3: A 24 CYS SG : rot -81:sc= 0.719 USER MOD Set 5.4: A 26 CYS SG : rot 149:sc= -0.835 USER MOD Set 6.1: A 8 SER OG : rot -121:sc= 0.183! USER MOD Set 6.2: A 10 TYR OH : rot 180:sc= 0.203 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -5.39! C(o=-5.4!,f=-3.3!) USER MOD Single : A 16 GLN : amide:sc= -0.0624 K(o=-0.062,f=-2.2!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0245 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -67:sc= 0.0188 USER MOD Single : A 36 CYS SG : rot -166:sc= -2.42 USER MOD Single : A 37 ASN : amide:sc= -19.7! C(o=-20!,f=-21!) USER MOD Single : A 38 SER OG : rot 57:sc= 0.643 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.79) USER MOD Single : A 55 SER OG : rot 59:sc= 0.162 USER MOD Single : A 63 GLN : amide:sc= -5.79! C(o=-5.8!,f=-3.5!) USER MOD Single : A 66 TYR OH : rot 11:sc= 0.217 USER MOD Single : A 73 MET CE :methyl -174:sc= 0 (180deg=-0.0257) USER MOD Single : A 76 ASN : amide:sc= -1.27 K(o=-1.3,f=-6.3!) USER MOD Single : A 81 SER OG : rot 126:sc= 0.271 USER MOD Single : A 82 CYS SG : rot 16:sc= 0.486 USER MOD Single : A 86 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=-0.3) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -131:sc= -1.43 (180deg=-4.06!) USER MOD Single : A 96 GLN : amide:sc= -0.99 K(o=-0.99,f=-3.2!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0765 K(o=-0.076,f=-1.8!) USER MOD Single : A 106 GLN : amide:sc= -0.252 K(o=-0.25,f=-2) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 170:sc= 0.17 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HE2:sc= -2.12! C(o=-2.1!,f=-3.8!) USER MOD Single : A 127 HIS : no HE2:sc= -0.769 K(o=-0.77,f=-2.7!) USER MOD Single : A 128 SER OG : rot -99:sc= -1.32! USER MOD Single : A 129 CYS SG : rot 39:sc= -2! USER MOD Single : A 130 LYS NZ :NH3+ -177:sc= -1.17 (180deg=-1.51) USER MOD Single : A 139 TYR OH : rot 4:sc= -0.821 USER MOD Single : A 143 ASN : amide:sc= -0.0698 K(o=-0.07,f=-0.98) USER MOD Single : A 144 TYR OH : rot 180:sc= -0.0715 USER MOD Single : A 148 GLN : amide:sc= -0.0742 K(o=-0.074,f=-1.7!) USER MOD Single : A 149 TYR OH : rot 128:sc= 0.135 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.149) USER MOD Single : A 156 TYR OH : rot 80:sc= 0.586 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0.0761 USER MOD Single : A 170 GLN : amide:sc= -6.71! C(o=-6.7!,f=-6.7!) USER MOD Single : A 171 SER OG : rot -143:sc= 0.283 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.533 -11.574 0.842 1.00 0.52 N ATOM 51 CA GLY A 4 -15.897 -11.047 2.195 1.00 0.30 C ATOM 52 C GLY A 4 -14.591 -10.905 2.980 1.00 0.41 C ATOM 53 O GLY A 4 -14.152 -11.811 3.661 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.405 -10.086 2.112 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.582 -11.726 2.703 1.00 0.30 H new ATOM 57 N GLY A 5 -13.958 -9.765 2.858 1.00 0.01 N ATOM 58 CA GLY A 5 -12.665 -9.550 3.562 1.00 0.01 C ATOM 59 C GLY A 5 -12.899 -9.233 5.040 1.00 0.01 C ATOM 60 O GLY A 5 -13.893 -8.645 5.415 1.00 0.01 O ATOM 0 H GLY A 5 -14.284 -8.976 2.300 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.043 -10.440 3.470 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.121 -8.731 3.091 1.00 0.01 H new ATOM 64 N LYS A 6 -11.976 -9.618 5.883 1.00 0.00 N ATOM 65 CA LYS A 6 -12.122 -9.342 7.343 1.00 0.01 C ATOM 66 C LYS A 6 -10.740 -9.192 7.970 1.00 0.01 C ATOM 67 O LYS A 6 -9.838 -9.967 7.712 1.00 0.00 O ATOM 68 CB LYS A 6 -12.863 -10.495 8.028 1.00 0.02 C ATOM 69 CG LYS A 6 -13.266 -10.081 9.447 1.00 0.02 C ATOM 70 CD LYS A 6 -13.637 -11.325 10.257 1.00 0.02 C ATOM 71 CE LYS A 6 -14.836 -12.024 9.608 1.00 0.02 C ATOM 72 NZ LYS A 6 -15.432 -12.986 10.578 1.00 0.02 N ATOM 0 H LYS A 6 -11.124 -10.114 5.621 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.692 -8.422 7.474 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.749 -10.764 7.452 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.226 -11.379 8.064 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.444 -9.552 9.930 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.111 -9.393 9.410 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -12.788 -12.007 10.304 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -13.878 -11.045 11.282 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.580 -11.288 9.305 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -14.521 -12.548 8.706 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -16.246 -13.462 10.139 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -14.720 -13.695 10.846 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -15.746 -12.473 11.427 1.00 0.02 H new ATOM 86 N ILE A 7 -10.580 -8.203 8.817 1.00 0.02 N ATOM 87 CA ILE A 7 -9.271 -7.981 9.503 1.00 0.00 C ATOM 88 C ILE A 7 -9.512 -7.857 11.008 1.00 0.02 C ATOM 89 O ILE A 7 -10.462 -7.233 11.445 1.00 0.01 O ATOM 90 CB ILE A 7 -8.605 -6.723 8.939 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.362 -6.385 9.767 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.581 -5.552 8.983 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.500 -5.370 9.007 1.00 0.02 C ATOM 0 H ILE A 7 -11.310 -7.534 9.064 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.602 -8.824 9.328 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.315 -6.907 7.905 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.656 -5.976 10.734 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.787 -7.290 9.965 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.099 -4.661 8.580 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.462 -5.790 8.386 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -9.881 -5.367 10.014 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.615 -5.130 9.597 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.194 -5.796 8.051 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.077 -4.462 8.832 1.00 0.02 H new ATOM 105 N SER A 8 -8.653 -8.446 11.803 1.00 0.02 N ATOM 106 CA SER A 8 -8.805 -8.373 13.290 1.00 0.02 C ATOM 107 C SER A 8 -7.551 -7.750 13.899 1.00 0.01 C ATOM 108 O SER A 8 -6.444 -8.150 13.611 1.00 0.02 O ATOM 109 CB SER A 8 -9.006 -9.773 13.869 1.00 0.30 C ATOM 110 OG SER A 8 -8.594 -9.781 15.228 1.00 0.39 O ATOM 0 H SER A 8 -7.845 -8.980 11.482 1.00 0.02 H new ATOM 0 HA SER A 8 -9.675 -7.761 13.527 1.00 0.02 H new ATOM 0 HB2 SER A 8 -10.054 -10.064 13.793 1.00 0.30 H new ATOM 0 HB3 SER A 8 -8.430 -10.502 13.298 1.00 0.30 H new ATOM 0 HG SER A 8 -7.879 -10.440 15.349 1.00 0.39 H new ATOM 116 N PHE A 9 -7.732 -6.769 14.749 1.00 0.02 N ATOM 117 CA PHE A 9 -6.572 -6.095 15.411 1.00 0.01 C ATOM 118 C PHE A 9 -6.539 -6.495 16.891 1.00 0.01 C ATOM 119 O PHE A 9 -7.568 -6.560 17.530 1.00 0.02 O ATOM 120 CB PHE A 9 -6.757 -4.577 15.318 1.00 0.02 C ATOM 121 CG PHE A 9 -6.951 -4.153 13.880 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.223 -4.209 13.300 1.00 0.01 C ATOM 123 CD2 PHE A 9 -5.862 -3.685 13.136 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.406 -3.799 11.974 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.046 -3.277 11.809 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.316 -3.333 11.229 1.00 0.02 C ATOM 0 H PHE A 9 -8.646 -6.402 15.015 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.644 -6.391 14.921 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.619 -4.273 15.912 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.887 -4.073 15.738 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.064 -4.568 13.875 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -4.881 -3.639 13.585 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.388 -3.842 11.526 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.205 -2.919 11.233 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.457 -3.017 10.206 1.00 0.02 H new ATOM 136 N TYR A 10 -5.373 -6.770 17.443 1.00 0.02 N ATOM 137 CA TYR A 10 -5.286 -7.175 18.887 1.00 0.01 C ATOM 138 C TYR A 10 -4.361 -6.215 19.638 1.00 0.02 C ATOM 139 O TYR A 10 -3.327 -5.795 19.134 1.00 0.01 O ATOM 140 CB TYR A 10 -4.710 -8.590 18.994 1.00 0.02 C ATOM 141 CG TYR A 10 -5.433 -9.525 18.049 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.218 -9.435 16.668 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.307 -10.496 18.556 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.875 -10.311 15.797 1.00 0.02 C ATOM 145 CE2 TYR A 10 -6.965 -11.373 17.685 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.749 -11.281 16.305 1.00 0.00 C ATOM 147 OH TYR A 10 -7.395 -12.144 15.445 1.00 0.02 O ATOM 0 H TYR A 10 -4.479 -6.731 16.954 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.286 -7.146 19.321 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.646 -8.575 18.758 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.805 -8.952 20.018 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.544 -8.688 16.275 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.473 -10.568 19.621 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.708 -10.239 14.732 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.639 -12.120 18.078 1.00 0.02 H new ATOM 0 HH TYR A 10 -7.964 -12.754 15.960 1.00 0.02 H new ATOM 157 N GLU A 11 -4.741 -5.834 20.835 1.00 0.00 N ATOM 158 CA GLU A 11 -3.914 -4.874 21.615 1.00 0.02 C ATOM 159 C GLU A 11 -2.618 -5.520 22.113 1.00 0.03 C ATOM 160 O GLU A 11 -1.632 -4.834 22.298 1.00 0.03 O ATOM 161 CB GLU A 11 -4.716 -4.386 22.827 1.00 0.00 C ATOM 162 CG GLU A 11 -5.805 -3.417 22.371 1.00 0.00 C ATOM 163 CD GLU A 11 -6.492 -2.810 23.596 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.657 -3.524 24.573 1.00 0.02 O ATOM 165 OE2 GLU A 11 -6.843 -1.642 23.539 1.00 0.01 O ATOM 0 H GLU A 11 -5.591 -6.150 21.302 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.656 -4.043 20.958 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.165 -5.235 23.343 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.053 -3.894 23.539 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.371 -2.629 21.756 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.535 -3.939 21.752 1.00 0.00 H new ATOM 172 N ASP A 12 -2.590 -6.818 22.338 1.00 0.02 N ATOM 173 CA ASP A 12 -1.332 -7.467 22.835 1.00 0.01 C ATOM 174 C ASP A 12 -0.769 -8.414 21.769 1.00 0.02 C ATOM 175 O ASP A 12 -1.413 -8.728 20.788 1.00 0.02 O ATOM 176 CB ASP A 12 -1.629 -8.272 24.105 1.00 0.01 C ATOM 177 CG ASP A 12 -0.316 -8.646 24.798 1.00 0.01 C ATOM 178 OD1 ASP A 12 0.540 -7.784 24.908 1.00 0.02 O ATOM 179 OD2 ASP A 12 -0.190 -9.788 25.207 1.00 0.03 O ATOM 0 H ASP A 12 -3.379 -7.450 22.200 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.602 -6.687 23.052 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -2.254 -7.687 24.780 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -2.188 -9.173 23.853 1.00 0.01 H new ATOM 184 N ARG A 13 0.438 -8.856 21.969 1.00 0.02 N ATOM 185 CA ARG A 13 1.094 -9.775 20.995 1.00 0.02 C ATOM 186 C ARG A 13 0.484 -11.176 21.102 1.00 0.00 C ATOM 187 O ARG A 13 -0.070 -11.554 22.115 1.00 0.02 O ATOM 188 CB ARG A 13 2.585 -9.844 21.331 1.00 0.00 C ATOM 189 CG ARG A 13 3.238 -8.490 21.044 1.00 0.01 C ATOM 190 CD ARG A 13 4.726 -8.560 21.379 1.00 0.02 C ATOM 191 NE ARG A 13 5.296 -7.185 21.376 1.00 0.03 N ATOM 192 CZ ARG A 13 6.462 -6.961 21.917 1.00 0.02 C ATOM 193 NH1 ARG A 13 7.129 -7.940 22.461 1.00 0.02 N ATOM 194 NH2 ARG A 13 6.958 -5.753 21.916 1.00 0.02 N ATOM 0 H ARG A 13 1.009 -8.617 22.779 1.00 0.02 H new ATOM 0 HA ARG A 13 0.947 -9.405 19.980 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.720 -10.110 22.379 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.066 -10.624 20.740 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.103 -8.224 19.996 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.758 -7.710 21.635 1.00 0.01 H new ATOM 0 HD2 ARG A 13 4.869 -9.023 22.355 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.246 -9.183 20.651 1.00 0.02 H new ATOM 0 HE ARG A 13 4.775 -6.418 20.951 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.740 -8.883 22.464 1.00 0.02 H new ATOM 0 HH12 ARG A 13 8.040 -7.763 22.884 1.00 0.02 H new ATOM 0 HH21 ARG A 13 6.434 -4.987 21.493 1.00 0.02 H new ATOM 0 HH22 ARG A 13 7.869 -5.576 22.338 1.00 0.02 H new ATOM 208 N ASN A 14 0.605 -11.945 20.052 1.00 0.02 N ATOM 209 CA ASN A 14 0.067 -13.338 20.047 1.00 0.02 C ATOM 210 C ASN A 14 -1.463 -13.334 20.126 1.00 0.02 C ATOM 211 O ASN A 14 -2.075 -14.186 20.738 1.00 0.02 O ATOM 212 CB ASN A 14 0.675 -14.108 21.229 1.00 0.26 C ATOM 213 CG ASN A 14 0.626 -15.615 20.955 1.00 0.12 C ATOM 214 OD1 ASN A 14 1.182 -16.399 21.699 1.00 0.74 O ATOM 215 ND2 ASN A 14 -0.017 -16.055 19.911 1.00 0.46 N ATOM 0 H ASN A 14 1.061 -11.662 19.184 1.00 0.02 H new ATOM 0 HA ASN A 14 0.342 -13.830 19.114 1.00 0.02 H new ATOM 0 HB2 ASN A 14 1.706 -13.792 21.387 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.128 -13.878 22.143 1.00 0.26 H new ATOM 0 HD21 ASN A 14 -0.053 -17.056 19.719 1.00 0.46 H new ATOM 0 HD22 ASN A 14 -0.484 -15.398 19.286 1.00 0.46 H new ATOM 222 N PHE A 15 -2.060 -12.350 19.496 1.00 0.02 N ATOM 223 CA PHE A 15 -3.550 -12.196 19.461 1.00 0.02 C ATOM 224 C PHE A 15 -4.147 -12.288 20.864 1.00 0.00 C ATOM 225 O PHE A 15 -5.150 -12.934 21.092 1.00 0.02 O ATOM 226 CB PHE A 15 -4.202 -13.236 18.526 1.00 0.02 C ATOM 227 CG PHE A 15 -3.602 -14.605 18.724 1.00 0.02 C ATOM 228 CD1 PHE A 15 -4.120 -15.462 19.704 1.00 0.02 C ATOM 229 CD2 PHE A 15 -2.530 -15.021 17.928 1.00 0.02 C ATOM 230 CE1 PHE A 15 -3.563 -16.733 19.887 1.00 0.02 C ATOM 231 CE2 PHE A 15 -1.974 -16.291 18.110 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.491 -17.148 19.090 1.00 0.02 C ATOM 0 H PHE A 15 -1.558 -11.623 18.987 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.765 -11.204 19.063 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.275 -13.276 18.715 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -4.073 -12.927 17.489 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -4.949 -15.142 20.318 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -2.131 -14.361 17.172 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -3.961 -17.393 20.643 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -1.146 -16.611 17.495 1.00 0.02 H new ATOM 0 HZ PHE A 15 -2.062 -18.129 19.230 1.00 0.02 H new ATOM 242 N GLN A 16 -3.540 -11.608 21.795 1.00 0.02 N ATOM 243 CA GLN A 16 -4.048 -11.589 23.200 1.00 0.02 C ATOM 244 C GLN A 16 -4.538 -10.169 23.502 1.00 0.02 C ATOM 245 O GLN A 16 -4.249 -9.240 22.772 1.00 0.02 O ATOM 246 CB GLN A 16 -2.901 -11.950 24.155 1.00 0.02 C ATOM 247 CG GLN A 16 -2.731 -13.471 24.199 1.00 0.00 C ATOM 248 CD GLN A 16 -1.382 -13.819 24.830 1.00 0.00 C ATOM 249 OE1 GLN A 16 -0.559 -12.954 25.049 1.00 0.02 O ATOM 250 NE2 GLN A 16 -1.120 -15.059 25.132 1.00 0.02 N ATOM 0 H GLN A 16 -2.698 -11.054 21.641 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.859 -12.306 23.328 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.976 -11.480 23.823 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -3.112 -11.568 25.154 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -3.540 -13.921 24.775 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.790 -13.883 23.191 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.812 -15.786 24.948 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -0.223 -15.303 25.552 1.00 0.02 H new ATOM 259 N GLY A 17 -5.273 -9.981 24.567 1.00 0.03 N ATOM 260 CA GLY A 17 -5.759 -8.606 24.896 1.00 0.03 C ATOM 261 C GLY A 17 -7.095 -8.318 24.198 1.00 0.02 C ATOM 262 O GLY A 17 -7.744 -9.204 23.679 1.00 0.02 O ATOM 0 H GLY A 17 -5.556 -10.713 25.219 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.878 -8.506 25.975 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -5.017 -7.870 24.588 1.00 0.03 H new ATOM 266 N ARG A 18 -7.497 -7.075 24.182 1.00 0.00 N ATOM 267 CA ARG A 18 -8.780 -6.697 23.519 1.00 0.02 C ATOM 268 C ARG A 18 -8.632 -6.856 22.007 1.00 0.02 C ATOM 269 O ARG A 18 -7.597 -6.565 21.437 1.00 0.02 O ATOM 270 CB ARG A 18 -9.109 -5.239 23.852 1.00 0.79 C ATOM 271 CG ARG A 18 -10.512 -4.901 23.340 1.00 1.49 C ATOM 272 CD ARG A 18 -10.978 -3.584 23.964 1.00 1.42 C ATOM 273 NE ARG A 18 -9.878 -2.582 23.889 1.00 2.07 N ATOM 274 CZ ARG A 18 -10.136 -1.313 24.071 1.00 2.35 C ATOM 275 NH1 ARG A 18 -11.360 -0.924 24.314 1.00 2.53 N ATOM 276 NH2 ARG A 18 -9.172 -0.435 24.010 1.00 2.76 N ATOM 0 H ARG A 18 -6.987 -6.299 24.603 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.584 -7.342 23.875 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.056 -5.080 24.929 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.374 -4.576 23.395 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.504 -4.818 22.253 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.206 -5.702 23.594 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -11.859 -3.213 23.440 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -11.268 -3.744 25.002 1.00 1.42 H new ATOM 0 HE ARG A 18 -8.924 -2.886 23.696 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -12.113 -1.610 24.362 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -11.562 0.066 24.456 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -8.217 -0.739 23.820 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -9.374 0.555 24.152 1.00 2.76 H new ATOM 290 N ARG A 19 -9.663 -7.342 21.355 1.00 0.02 N ATOM 291 CA ARG A 19 -9.609 -7.559 19.876 1.00 0.02 C ATOM 292 C ARG A 19 -10.707 -6.747 19.180 1.00 0.02 C ATOM 293 O ARG A 19 -11.775 -6.528 19.718 1.00 0.02 O ATOM 294 CB ARG A 19 -9.843 -9.046 19.600 1.00 0.85 C ATOM 295 CG ARG A 19 -9.572 -9.353 18.124 1.00 1.31 C ATOM 296 CD ARG A 19 -10.031 -10.778 17.798 1.00 1.34 C ATOM 297 NE ARG A 19 -11.501 -10.782 17.554 1.00 1.50 N ATOM 298 CZ ARG A 19 -12.063 -11.807 16.978 1.00 1.63 C ATOM 299 NH1 ARG A 19 -11.339 -12.828 16.612 1.00 1.72 N ATOM 300 NH2 ARG A 19 -13.350 -11.813 16.770 1.00 1.89 N ATOM 0 H ARG A 19 -10.548 -7.600 21.791 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.638 -7.241 19.496 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.190 -9.649 20.231 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.868 -9.315 19.854 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.098 -8.638 17.492 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.509 -9.246 17.910 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -9.504 -11.149 16.919 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -9.786 -11.448 18.622 1.00 1.34 H new ATOM 0 HE ARG A 19 -12.067 -9.983 17.838 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -10.332 -12.825 16.777 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -11.779 -13.630 16.161 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -13.917 -11.015 17.058 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -13.790 -12.615 16.319 1.00 1.89 H new ATOM 314 N TYR A 20 -10.447 -6.323 17.970 1.00 0.02 N ATOM 315 CA TYR A 20 -11.456 -5.544 17.186 1.00 0.02 C ATOM 316 C TYR A 20 -11.528 -6.146 15.780 1.00 0.02 C ATOM 317 O TYR A 20 -10.525 -6.305 15.116 1.00 0.02 O ATOM 318 CB TYR A 20 -11.027 -4.073 17.106 1.00 0.02 C ATOM 319 CG TYR A 20 -11.863 -3.343 16.071 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.255 -3.293 16.208 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.245 -2.723 14.976 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.029 -2.624 15.252 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.018 -2.053 14.021 1.00 0.02 C ATOM 324 CZ TYR A 20 -13.411 -2.004 14.159 1.00 0.02 C ATOM 325 OH TYR A 20 -14.174 -1.345 13.218 1.00 0.01 O ATOM 0 H TYR A 20 -9.565 -6.485 17.484 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.433 -5.592 17.667 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.144 -3.598 18.080 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -9.971 -4.008 16.844 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.732 -3.770 17.051 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.171 -2.762 14.869 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.103 -2.586 15.358 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -11.541 -1.574 13.179 1.00 0.02 H new ATOM 0 HH TYR A 20 -14.021 -1.743 12.336 1.00 0.01 H new ATOM 335 N ASP A 21 -12.709 -6.490 15.330 1.00 0.01 N ATOM 336 CA ASP A 21 -12.874 -7.102 13.972 1.00 0.02 C ATOM 337 C ASP A 21 -13.610 -6.129 13.055 1.00 0.00 C ATOM 338 O ASP A 21 -14.572 -5.497 13.447 1.00 0.01 O ATOM 339 CB ASP A 21 -13.693 -8.385 14.104 1.00 0.12 C ATOM 340 CG ASP A 21 -15.015 -8.077 14.809 1.00 0.41 C ATOM 341 OD1 ASP A 21 -15.022 -8.046 16.029 1.00 0.56 O ATOM 342 OD2 ASP A 21 -15.999 -7.876 14.116 1.00 1.12 O ATOM 0 H ASP A 21 -13.578 -6.372 15.851 1.00 0.01 H new ATOM 0 HA ASP A 21 -11.894 -7.324 13.549 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -13.885 -8.810 13.119 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -13.133 -9.130 14.669 1.00 0.12 H new ATOM 347 N CYS A 22 -13.150 -6.000 11.833 1.00 0.01 N ATOM 348 CA CYS A 22 -13.801 -5.063 10.862 1.00 0.00 C ATOM 349 C CYS A 22 -14.043 -5.789 9.538 1.00 0.02 C ATOM 350 O CYS A 22 -13.209 -6.537 9.063 1.00 0.01 O ATOM 351 CB CYS A 22 -12.885 -3.855 10.645 1.00 0.00 C ATOM 352 SG CYS A 22 -13.815 -2.520 9.848 1.00 0.02 S ATOM 0 H CYS A 22 -12.346 -6.507 11.464 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.759 -4.722 11.256 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.485 -3.513 11.600 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.034 -4.138 10.026 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.472 -2.439 8.597 1.00 0.02 H new ATOM 358 N ASP A 23 -15.191 -5.571 8.947 1.00 0.01 N ATOM 359 CA ASP A 23 -15.535 -6.239 7.649 1.00 0.02 C ATOM 360 C ASP A 23 -15.709 -5.178 6.560 1.00 0.00 C ATOM 361 O ASP A 23 -16.165 -5.463 5.469 1.00 0.02 O ATOM 362 CB ASP A 23 -16.843 -7.019 7.815 1.00 0.16 C ATOM 363 CG ASP A 23 -17.846 -6.169 8.597 1.00 0.17 C ATOM 364 OD1 ASP A 23 -18.174 -5.094 8.126 1.00 0.20 O ATOM 365 OD2 ASP A 23 -18.267 -6.609 9.654 1.00 0.17 O ATOM 0 H ASP A 23 -15.915 -4.951 9.311 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.734 -6.922 7.365 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -17.252 -7.277 6.838 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -16.656 -7.956 8.340 1.00 0.16 H new ATOM 370 N CYS A 24 -15.333 -3.960 6.843 1.00 0.01 N ATOM 371 CA CYS A 24 -15.457 -2.877 5.828 1.00 0.01 C ATOM 372 C CYS A 24 -14.478 -1.762 6.198 1.00 0.01 C ATOM 373 O CYS A 24 -13.835 -1.815 7.229 1.00 0.01 O ATOM 374 CB CYS A 24 -16.888 -2.333 5.829 1.00 0.62 C ATOM 375 SG CYS A 24 -17.428 -2.065 7.537 1.00 1.23 S ATOM 0 H CYS A 24 -14.943 -3.668 7.739 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.230 -3.262 4.834 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -16.934 -1.398 5.270 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.556 -3.035 5.331 1.00 0.62 H new ATOM 0 HG CYS A 24 -17.811 -3.195 8.054 1.00 1.23 H new ATOM 381 N ASP A 25 -14.338 -0.755 5.380 1.00 0.02 N ATOM 382 CA ASP A 25 -13.384 0.339 5.709 1.00 0.01 C ATOM 383 C ASP A 25 -13.807 1.047 6.997 1.00 0.02 C ATOM 384 O ASP A 25 -14.978 1.226 7.268 1.00 0.00 O ATOM 385 CB ASP A 25 -13.370 1.352 4.563 1.00 0.01 C ATOM 386 CG ASP A 25 -12.896 0.668 3.280 1.00 0.01 C ATOM 387 OD1 ASP A 25 -12.914 -0.551 3.242 1.00 0.01 O ATOM 388 OD2 ASP A 25 -12.521 1.373 2.357 1.00 0.01 O ATOM 0 H ASP A 25 -14.842 -0.643 4.500 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.391 -0.088 5.849 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -14.368 1.767 4.419 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -12.711 2.185 4.808 1.00 0.01 H new ATOM 393 N CYS A 26 -12.846 1.474 7.777 1.00 0.01 N ATOM 394 CA CYS A 26 -13.152 2.210 9.046 1.00 0.01 C ATOM 395 C CYS A 26 -12.270 3.463 9.108 1.00 0.01 C ATOM 396 O CYS A 26 -11.057 3.377 9.127 1.00 0.01 O ATOM 397 CB CYS A 26 -12.862 1.307 10.248 1.00 0.01 C ATOM 398 SG CYS A 26 -13.669 1.986 11.719 1.00 0.02 S ATOM 0 H CYS A 26 -11.852 1.344 7.588 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.203 2.496 9.069 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.225 0.297 10.054 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -11.787 1.234 10.411 1.00 0.01 H new ATOM 0 HG CYS A 26 -14.004 1.016 12.517 1.00 0.02 H new ATOM 404 N ALA A 27 -12.868 4.629 9.099 1.00 0.01 N ATOM 405 CA ALA A 27 -12.060 5.886 9.113 1.00 0.01 C ATOM 406 C ALA A 27 -11.518 6.166 10.515 1.00 0.01 C ATOM 407 O ALA A 27 -10.516 6.837 10.677 1.00 0.02 O ATOM 408 CB ALA A 27 -12.932 7.060 8.659 1.00 0.24 C ATOM 0 H ALA A 27 -13.879 4.764 9.083 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.218 5.765 8.432 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.342 7.977 8.669 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.295 6.874 7.648 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -13.780 7.166 9.336 1.00 0.24 H new ATOM 414 N ASP A 28 -12.167 5.656 11.526 1.00 0.01 N ATOM 415 CA ASP A 28 -11.693 5.882 12.922 1.00 0.02 C ATOM 416 C ASP A 28 -12.174 4.720 13.790 1.00 0.01 C ATOM 417 O ASP A 28 -13.315 4.675 14.206 1.00 0.02 O ATOM 418 CB ASP A 28 -12.264 7.196 13.456 1.00 0.67 C ATOM 419 CG ASP A 28 -11.678 7.483 14.840 1.00 0.90 C ATOM 420 OD1 ASP A 28 -10.476 7.342 14.994 1.00 0.87 O ATOM 421 OD2 ASP A 28 -12.442 7.841 15.720 1.00 1.14 O ATOM 0 H ASP A 28 -13.011 5.089 11.445 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.605 5.939 12.942 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -12.027 8.012 12.773 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -13.351 7.135 13.515 1.00 0.67 H new ATOM 426 N PHE A 29 -11.306 3.777 14.064 1.00 0.02 N ATOM 427 CA PHE A 29 -11.690 2.598 14.911 1.00 0.02 C ATOM 428 C PHE A 29 -11.066 2.727 16.306 1.00 0.00 C ATOM 429 O PHE A 29 -11.065 1.806 17.105 1.00 0.02 O ATOM 430 CB PHE A 29 -11.255 1.298 14.225 1.00 2.87 C ATOM 431 CG PHE A 29 -9.772 1.081 14.383 1.00 3.99 C ATOM 432 CD1 PHE A 29 -8.877 1.746 13.542 1.00 4.52 C ATOM 433 CD2 PHE A 29 -9.297 0.207 15.366 1.00 4.68 C ATOM 434 CE1 PHE A 29 -7.503 1.539 13.681 1.00 5.75 C ATOM 435 CE2 PHE A 29 -7.924 -0.001 15.506 1.00 5.85 C ATOM 436 CZ PHE A 29 -7.026 0.664 14.665 1.00 6.37 C ATOM 0 H PHE A 29 -10.340 3.771 13.736 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.773 2.574 15.028 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.798 0.456 14.654 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -11.511 1.337 13.166 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.248 2.420 12.784 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -9.991 -0.306 16.015 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -6.810 2.052 13.031 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -7.555 -0.676 16.264 1.00 5.85 H new ATOM 0 HZ PHE A 29 -5.964 0.503 14.774 1.00 6.37 H new ATOM 446 N ARG A 30 -10.510 3.873 16.583 1.00 0.01 N ATOM 447 CA ARG A 30 -9.859 4.104 17.901 1.00 0.00 C ATOM 448 C ARG A 30 -10.864 3.905 19.041 1.00 0.01 C ATOM 449 O ARG A 30 -10.488 3.656 20.168 1.00 0.02 O ATOM 450 CB ARG A 30 -9.319 5.535 17.958 1.00 0.32 C ATOM 451 CG ARG A 30 -8.270 5.743 16.857 1.00 0.86 C ATOM 452 CD ARG A 30 -7.037 4.862 17.118 1.00 1.62 C ATOM 453 NE ARG A 30 -5.840 5.492 16.490 1.00 2.25 N ATOM 454 CZ ARG A 30 -4.644 5.079 16.811 1.00 2.70 C ATOM 455 NH1 ARG A 30 -4.500 4.109 17.673 1.00 3.11 N ATOM 456 NH2 ARG A 30 -3.594 5.633 16.268 1.00 3.02 N ATOM 0 H ARG A 30 -10.479 4.668 15.945 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.044 3.389 18.016 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.136 6.246 17.833 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -8.876 5.727 18.935 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -8.700 5.499 15.886 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -7.975 6.792 16.821 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -6.880 4.744 18.190 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -7.195 3.865 16.708 1.00 1.62 H new ATOM 0 HE ARG A 30 -5.956 6.244 15.811 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -5.321 3.675 18.094 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -3.566 3.785 17.925 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -3.708 6.389 15.593 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -2.660 5.310 16.519 1.00 3.02 H new ATOM 470 N SER A 31 -12.140 4.026 18.774 1.00 0.02 N ATOM 471 CA SER A 31 -13.148 3.858 19.862 1.00 0.02 C ATOM 472 C SER A 31 -13.299 2.381 20.222 1.00 0.01 C ATOM 473 O SER A 31 -13.835 2.037 21.256 1.00 0.02 O ATOM 474 CB SER A 31 -14.498 4.399 19.386 1.00 0.37 C ATOM 475 OG SER A 31 -15.539 3.808 20.155 1.00 0.88 O ATOM 0 H SER A 31 -12.525 4.233 17.853 1.00 0.02 H new ATOM 0 HA SER A 31 -12.813 4.406 20.743 1.00 0.02 H new ATOM 0 HB2 SER A 31 -14.525 5.484 19.489 1.00 0.37 H new ATOM 0 HB3 SER A 31 -14.640 4.176 18.329 1.00 0.37 H new ATOM 0 HG SER A 31 -16.405 4.154 19.853 1.00 0.88 H new ATOM 481 N TYR A 32 -12.838 1.503 19.369 1.00 0.01 N ATOM 482 CA TYR A 32 -12.962 0.038 19.643 1.00 0.01 C ATOM 483 C TYR A 32 -11.617 -0.494 20.122 1.00 0.02 C ATOM 484 O TYR A 32 -11.535 -1.519 20.767 1.00 0.02 O ATOM 485 CB TYR A 32 -13.356 -0.683 18.354 1.00 0.02 C ATOM 486 CG TYR A 32 -14.749 -0.266 17.941 1.00 0.02 C ATOM 487 CD1 TYR A 32 -15.853 -0.684 18.693 1.00 0.01 C ATOM 488 CD2 TYR A 32 -14.937 0.533 16.807 1.00 0.01 C ATOM 489 CE1 TYR A 32 -17.145 -0.299 18.312 1.00 0.00 C ATOM 490 CE2 TYR A 32 -16.228 0.916 16.426 1.00 0.02 C ATOM 491 CZ TYR A 32 -17.332 0.500 17.179 1.00 0.02 C ATOM 492 OH TYR A 32 -18.606 0.881 16.805 1.00 0.02 O ATOM 0 H TYR A 32 -12.378 1.738 18.489 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.721 -0.132 20.407 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -12.646 -0.446 17.562 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.319 -1.762 18.504 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -15.709 -1.303 19.566 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -14.085 0.854 16.226 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -17.997 -0.619 18.893 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -16.372 1.532 15.551 1.00 0.02 H new ATOM 0 HH TYR A 32 -18.558 1.434 15.998 1.00 0.02 H new ATOM 502 N LEU A 33 -10.557 0.196 19.807 1.00 0.02 N ATOM 503 CA LEU A 33 -9.201 -0.262 20.239 1.00 0.02 C ATOM 504 C LEU A 33 -8.305 0.974 20.421 1.00 0.02 C ATOM 505 O LEU A 33 -8.225 1.834 19.569 1.00 0.02 O ATOM 506 CB LEU A 33 -8.617 -1.186 19.142 1.00 1.66 C ATOM 507 CG LEU A 33 -7.962 -2.436 19.773 1.00 2.38 C ATOM 508 CD1 LEU A 33 -9.021 -3.303 20.494 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.283 -3.265 18.675 1.00 2.80 C ATOM 0 H LEU A 33 -10.568 1.061 19.267 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.258 -0.811 21.179 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.408 -1.490 18.457 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -7.879 -0.640 18.554 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.222 -2.111 20.504 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.539 -4.178 20.931 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.495 -2.718 21.282 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.776 -3.625 19.777 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.821 -4.147 19.118 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -8.027 -3.575 17.941 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.519 -2.662 18.184 1.00 2.80 H new ATOM 521 N SER A 34 -7.655 1.062 21.551 1.00 0.02 N ATOM 522 CA SER A 34 -6.780 2.237 21.839 1.00 0.02 C ATOM 523 C SER A 34 -5.380 2.029 21.254 1.00 0.00 C ATOM 524 O SER A 34 -4.570 2.933 21.229 1.00 0.01 O ATOM 525 CB SER A 34 -6.673 2.416 23.353 1.00 0.02 C ATOM 526 OG SER A 34 -5.758 1.461 23.878 1.00 0.02 O ATOM 0 H SER A 34 -7.693 0.364 22.294 1.00 0.02 H new ATOM 0 HA SER A 34 -7.218 3.124 21.381 1.00 0.02 H new ATOM 0 HB2 SER A 34 -6.337 3.426 23.588 1.00 0.02 H new ATOM 0 HB3 SER A 34 -7.652 2.290 23.815 1.00 0.02 H new ATOM 0 HG SER A 34 -6.128 0.560 23.771 1.00 0.02 H new ATOM 532 N ARG A 35 -5.083 0.849 20.787 1.00 0.02 N ATOM 533 CA ARG A 35 -3.738 0.577 20.206 1.00 0.01 C ATOM 534 C ARG A 35 -3.799 -0.791 19.521 1.00 0.02 C ATOM 535 O ARG A 35 -4.683 -1.577 19.791 1.00 0.02 O ATOM 536 CB ARG A 35 -2.696 0.558 21.329 1.00 0.02 C ATOM 537 CG ARG A 35 -1.293 0.718 20.741 1.00 0.02 C ATOM 538 CD ARG A 35 -0.252 0.384 21.811 1.00 0.02 C ATOM 539 NE ARG A 35 -0.212 -1.091 22.018 1.00 0.02 N ATOM 540 CZ ARG A 35 0.793 -1.634 22.649 1.00 0.02 C ATOM 541 NH1 ARG A 35 1.763 -0.888 23.093 1.00 0.00 N ATOM 542 NH2 ARG A 35 0.825 -2.925 22.831 1.00 0.02 N ATOM 0 H ARG A 35 -5.721 0.053 20.783 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.459 1.347 19.487 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -2.897 1.362 22.037 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.763 -0.378 21.883 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -1.170 0.060 19.881 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -1.150 1.738 20.385 1.00 0.02 H new ATOM 0 HD2 ARG A 35 0.729 0.746 21.505 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -0.500 0.887 22.746 1.00 0.02 H new ATOM 0 HE ARG A 35 -0.970 -1.676 21.667 1.00 0.02 H new ATOM 0 HH11 ARG A 35 1.738 0.121 22.948 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.548 -1.313 23.586 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.065 -3.508 22.480 1.00 0.02 H new ATOM 0 HH22 ARG A 35 1.610 -3.351 23.324 1.00 0.02 H new ATOM 556 N CYS A 36 -2.881 -1.092 18.636 1.00 0.02 N ATOM 557 CA CYS A 36 -2.904 -2.413 17.936 1.00 0.02 C ATOM 558 C CYS A 36 -1.470 -2.917 17.770 1.00 0.02 C ATOM 559 O CYS A 36 -0.699 -2.323 17.043 1.00 0.02 O ATOM 560 CB CYS A 36 -3.525 -2.230 16.552 1.00 0.02 C ATOM 561 SG CYS A 36 -4.961 -1.141 16.677 1.00 0.02 S ATOM 0 H CYS A 36 -2.113 -0.476 18.367 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.485 -3.129 18.517 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -2.792 -1.806 15.866 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.822 -3.196 16.144 1.00 0.02 H new ATOM 0 HG CYS A 36 -5.663 -1.222 15.586 1.00 0.02 H new ATOM 567 N ASN A 37 -1.089 -3.986 18.434 1.00 0.02 N ATOM 568 CA ASN A 37 0.319 -4.484 18.303 1.00 0.01 C ATOM 569 C ASN A 37 0.362 -5.815 17.544 1.00 0.02 C ATOM 570 O ASN A 37 1.417 -6.364 17.287 1.00 0.02 O ATOM 571 CB ASN A 37 0.936 -4.662 19.689 1.00 0.02 C ATOM 572 CG ASN A 37 0.258 -5.823 20.406 1.00 0.01 C ATOM 573 OD1 ASN A 37 0.852 -6.450 21.255 1.00 0.03 O ATOM 574 ND2 ASN A 37 -0.970 -6.139 20.095 1.00 0.02 N ATOM 0 H ASN A 37 -1.687 -4.530 19.056 1.00 0.02 H new ATOM 0 HA ASN A 37 0.891 -3.747 17.739 1.00 0.01 H new ATOM 0 HB2 ASN A 37 2.006 -4.851 19.600 1.00 0.02 H new ATOM 0 HB3 ASN A 37 0.821 -3.746 20.269 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -1.432 -6.916 20.568 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -1.467 -5.609 19.380 1.00 0.02 H new ATOM 581 N SER A 38 -0.780 -6.318 17.144 1.00 0.02 N ATOM 582 CA SER A 38 -0.818 -7.584 16.355 1.00 0.02 C ATOM 583 C SER A 38 -2.085 -7.562 15.500 1.00 0.01 C ATOM 584 O SER A 38 -3.061 -6.923 15.837 1.00 0.02 O ATOM 585 CB SER A 38 -0.821 -8.807 17.276 1.00 0.01 C ATOM 586 OG SER A 38 -1.412 -9.907 16.597 1.00 0.02 O ATOM 0 H SER A 38 -1.692 -5.902 17.332 1.00 0.02 H new ATOM 0 HA SER A 38 0.069 -7.654 15.726 1.00 0.02 H new ATOM 0 HB2 SER A 38 0.198 -9.054 17.574 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.376 -8.588 18.188 1.00 0.01 H new ATOM 0 HG SER A 38 -0.927 -10.075 15.762 1.00 0.02 H new ATOM 592 N ILE A 39 -2.075 -8.231 14.373 1.00 0.02 N ATOM 593 CA ILE A 39 -3.278 -8.213 13.486 1.00 0.02 C ATOM 594 C ILE A 39 -3.435 -9.556 12.765 1.00 0.02 C ATOM 595 O ILE A 39 -2.475 -10.210 12.418 1.00 0.02 O ATOM 596 CB ILE A 39 -3.099 -7.114 12.431 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.523 -5.860 13.091 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.452 -6.781 11.795 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.456 -4.730 12.064 1.00 0.00 C ATOM 0 H ILE A 39 -1.290 -8.786 14.031 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.162 -8.027 14.096 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.415 -7.466 11.659 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.145 -5.562 13.935 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -1.528 -6.067 13.485 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.320 -6.000 11.046 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.860 -7.673 11.320 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.140 -6.433 12.565 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.046 -3.836 12.533 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.817 -5.030 11.234 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.458 -4.517 11.691 1.00 0.00 H new ATOM 611 N ARG A 40 -4.661 -9.933 12.499 1.00 0.02 N ATOM 612 CA ARG A 40 -4.936 -11.198 11.745 1.00 0.02 C ATOM 613 C ARG A 40 -5.825 -10.851 10.549 1.00 0.01 C ATOM 614 O ARG A 40 -6.893 -10.296 10.712 1.00 0.02 O ATOM 615 CB ARG A 40 -5.643 -12.235 12.625 1.00 0.01 C ATOM 616 CG ARG A 40 -6.050 -13.441 11.772 1.00 0.02 C ATOM 617 CD ARG A 40 -6.409 -14.615 12.686 1.00 0.02 C ATOM 618 NE ARG A 40 -7.138 -15.648 11.899 1.00 0.02 N ATOM 619 CZ ARG A 40 -7.282 -16.852 12.380 1.00 0.02 C ATOM 620 NH1 ARG A 40 -6.791 -17.148 13.552 1.00 0.02 N ATOM 621 NH2 ARG A 40 -7.920 -17.758 11.691 1.00 0.02 N ATOM 0 H ARG A 40 -5.494 -9.413 12.775 1.00 0.02 H new ATOM 0 HA ARG A 40 -3.991 -11.632 11.419 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -4.982 -12.553 13.431 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.524 -11.792 13.090 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.901 -13.183 11.142 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -5.234 -13.721 11.106 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -5.505 -15.043 13.119 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -7.027 -14.270 13.515 1.00 0.02 H new ATOM 0 HE ARG A 40 -7.524 -15.414 10.984 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -6.295 -16.438 14.091 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -6.903 -18.089 13.929 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -8.306 -17.525 10.776 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -8.032 -18.699 12.067 1.00 0.02 H new ATOM 635 N VAL A 41 -5.426 -11.215 9.354 1.00 0.02 N ATOM 636 CA VAL A 41 -6.288 -10.957 8.160 1.00 0.01 C ATOM 637 C VAL A 41 -6.863 -12.308 7.737 1.00 0.02 C ATOM 638 O VAL A 41 -6.137 -13.213 7.377 1.00 0.02 O ATOM 639 CB VAL A 41 -5.463 -10.332 7.035 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.403 -9.900 5.908 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.735 -9.099 7.577 1.00 0.00 C ATOM 0 H VAL A 41 -4.540 -11.680 9.155 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.089 -10.255 8.392 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.740 -11.055 6.659 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.822 -9.453 5.101 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -6.941 -10.769 5.530 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.117 -9.170 6.289 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.144 -8.646 6.781 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.465 -8.377 7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.077 -9.395 8.394 1.00 0.00 H new ATOM 651 N GLU A 42 -8.157 -12.462 7.826 1.00 0.01 N ATOM 652 CA GLU A 42 -8.786 -13.773 7.481 1.00 0.01 C ATOM 653 C GLU A 42 -9.011 -13.875 5.977 1.00 0.02 C ATOM 654 O GLU A 42 -8.934 -14.944 5.406 1.00 0.01 O ATOM 655 CB GLU A 42 -10.125 -13.902 8.209 1.00 0.99 C ATOM 656 CG GLU A 42 -10.628 -15.344 8.106 1.00 1.86 C ATOM 657 CD GLU A 42 -12.085 -15.410 8.570 1.00 3.10 C ATOM 658 OE1 GLU A 42 -12.814 -14.471 8.305 1.00 3.67 O ATOM 659 OE2 GLU A 42 -12.446 -16.401 9.182 1.00 3.81 O ATOM 0 H GLU A 42 -8.808 -11.735 8.123 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.119 -14.577 7.791 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.010 -13.620 9.256 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.855 -13.220 7.773 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -10.546 -15.696 7.078 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -10.010 -16.001 8.718 1.00 1.86 H new ATOM 666 N GLY A 43 -9.304 -12.792 5.325 1.00 0.01 N ATOM 667 CA GLY A 43 -9.547 -12.874 3.861 1.00 0.02 C ATOM 668 C GLY A 43 -9.471 -11.485 3.242 1.00 0.02 C ATOM 669 O GLY A 43 -9.767 -10.496 3.886 1.00 0.02 O ATOM 0 H GLY A 43 -9.386 -11.861 5.735 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -8.809 -13.529 3.398 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.526 -13.313 3.671 1.00 0.02 H new ATOM 673 N GLY A 44 -9.099 -11.399 1.997 1.00 0.00 N ATOM 674 CA GLY A 44 -9.030 -10.066 1.343 1.00 0.01 C ATOM 675 C GLY A 44 -7.706 -9.384 1.685 1.00 0.01 C ATOM 676 O GLY A 44 -6.938 -9.856 2.501 1.00 0.01 O ATOM 0 H GLY A 44 -8.841 -12.190 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.123 -10.177 0.263 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -9.864 -9.446 1.673 1.00 0.01 H new ATOM 680 N THR A 45 -7.470 -8.248 1.088 1.00 0.01 N ATOM 681 CA THR A 45 -6.235 -7.460 1.375 1.00 0.00 C ATOM 682 C THR A 45 -6.679 -6.214 2.145 1.00 0.01 C ATOM 683 O THR A 45 -7.838 -5.848 2.099 1.00 0.01 O ATOM 684 CB THR A 45 -5.528 -7.081 0.069 1.00 0.73 C ATOM 685 OG1 THR A 45 -4.919 -8.242 -0.483 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.452 -6.030 0.353 1.00 1.48 C ATOM 0 H THR A 45 -8.092 -7.824 0.400 1.00 0.01 H new ATOM 0 HA THR A 45 -5.523 -8.039 1.963 1.00 0.00 H new ATOM 0 HB THR A 45 -6.254 -6.673 -0.635 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.466 -8.007 -1.320 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.951 -5.762 -0.577 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.915 -5.143 0.784 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.723 -6.436 1.054 1.00 1.48 H new ATOM 694 N TRP A 46 -5.798 -5.550 2.846 1.00 0.02 N ATOM 695 CA TRP A 46 -6.234 -4.334 3.608 1.00 0.01 C ATOM 696 C TRP A 46 -5.113 -3.293 3.690 1.00 0.01 C ATOM 697 O TRP A 46 -3.945 -3.613 3.799 1.00 0.01 O ATOM 698 CB TRP A 46 -6.624 -4.752 5.031 1.00 0.00 C ATOM 699 CG TRP A 46 -7.939 -5.463 5.007 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.121 -6.758 4.657 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.257 -4.942 5.344 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.467 -7.061 4.752 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.207 -5.974 5.174 1.00 0.01 C ATOM 704 CE3 TRP A 46 -9.717 -3.683 5.777 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.562 -5.770 5.423 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.081 -3.473 6.027 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.004 -4.514 5.852 1.00 0.01 C ATOM 0 H TRP A 46 -4.810 -5.789 2.926 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.081 -3.889 3.086 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -5.857 -5.401 5.452 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -6.687 -3.874 5.674 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.343 -7.442 4.353 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.865 -7.975 4.537 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.015 -2.874 5.917 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.267 -6.576 5.286 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.423 -2.503 6.357 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.053 -4.347 6.048 1.00 0.01 H new ATOM 718 N ALA A 47 -5.487 -2.040 3.711 1.00 0.01 N ATOM 719 CA ALA A 47 -4.497 -0.935 3.870 1.00 0.01 C ATOM 720 C ALA A 47 -4.742 -0.378 5.270 1.00 0.01 C ATOM 721 O ALA A 47 -5.862 -0.091 5.641 1.00 0.01 O ATOM 722 CB ALA A 47 -4.732 0.144 2.810 1.00 0.24 C ATOM 0 H ALA A 47 -6.455 -1.731 3.623 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.471 -1.281 3.746 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -4.003 0.944 2.937 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.623 -0.292 1.817 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.738 0.549 2.920 1.00 0.24 H new ATOM 728 N VAL A 48 -3.697 -0.206 6.041 1.00 0.01 N ATOM 729 CA VAL A 48 -3.848 0.355 7.423 1.00 0.02 C ATOM 730 C VAL A 48 -3.066 1.662 7.529 1.00 0.01 C ATOM 731 O VAL A 48 -2.005 1.799 6.956 1.00 0.01 O ATOM 732 CB VAL A 48 -3.323 -0.646 8.452 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.120 -1.947 8.350 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.846 -0.935 8.178 1.00 0.65 C ATOM 0 H VAL A 48 -2.739 -0.431 5.772 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.903 0.546 7.621 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.433 -0.227 9.452 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.746 -2.661 9.084 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.173 -1.745 8.545 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.010 -2.364 7.349 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.473 -1.649 8.912 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.737 -1.353 7.177 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.275 -0.009 8.249 1.00 0.65 H new ATOM 744 N TYR A 49 -3.584 2.626 8.255 1.00 0.01 N ATOM 745 CA TYR A 49 -2.875 3.939 8.401 1.00 0.01 C ATOM 746 C TYR A 49 -2.582 4.214 9.877 1.00 0.01 C ATOM 747 O TYR A 49 -3.314 3.827 10.768 1.00 0.02 O ATOM 748 CB TYR A 49 -3.748 5.051 7.822 1.00 0.01 C ATOM 749 CG TYR A 49 -3.952 4.798 6.348 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.858 3.817 5.929 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.234 5.538 5.401 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.048 3.576 4.563 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.422 5.296 4.035 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.330 4.315 3.617 1.00 0.02 C ATOM 755 OH TYR A 49 -4.517 4.078 2.269 1.00 0.01 O ATOM 0 H TYR A 49 -4.471 2.559 8.755 1.00 0.01 H new ATOM 0 HA TYR A 49 -1.930 3.904 7.859 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.709 5.081 8.335 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.274 6.020 7.976 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.411 3.246 6.660 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.535 6.295 5.724 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -5.748 2.820 4.240 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -2.867 5.865 3.304 1.00 0.01 H new ATOM 0 HH TYR A 49 -3.942 4.678 1.749 1.00 0.01 H new ATOM 765 N GLU A 50 -1.468 4.844 10.128 1.00 0.01 N ATOM 766 CA GLU A 50 -1.035 5.122 11.525 1.00 0.01 C ATOM 767 C GLU A 50 -1.985 6.098 12.223 1.00 0.01 C ATOM 768 O GLU A 50 -2.175 6.016 13.421 1.00 0.02 O ATOM 769 CB GLU A 50 0.371 5.725 11.485 1.00 0.02 C ATOM 770 CG GLU A 50 0.921 5.848 12.910 1.00 0.01 C ATOM 771 CD GLU A 50 2.428 6.101 12.856 1.00 0.02 C ATOM 772 OE1 GLU A 50 3.129 5.262 12.316 1.00 0.01 O ATOM 773 OE2 GLU A 50 2.856 7.130 13.353 1.00 0.02 O ATOM 0 H GLU A 50 -0.828 5.184 9.410 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.043 4.188 12.087 1.00 0.01 H new ATOM 0 HB2 GLU A 50 1.029 5.098 10.884 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.343 6.706 11.010 1.00 0.02 H new ATOM 0 HG2 GLU A 50 0.423 6.664 13.434 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.715 4.936 13.471 1.00 0.01 H new ATOM 780 N ARG A 51 -2.562 7.041 11.508 1.00 0.02 N ATOM 781 CA ARG A 51 -3.475 8.036 12.168 1.00 0.02 C ATOM 782 C ARG A 51 -4.852 8.017 11.470 1.00 0.01 C ATOM 783 O ARG A 51 -4.958 7.606 10.328 1.00 0.02 O ATOM 784 CB ARG A 51 -2.828 9.433 12.025 1.00 0.02 C ATOM 785 CG ARG A 51 -1.958 9.735 13.255 1.00 0.01 C ATOM 786 CD ARG A 51 -0.983 10.872 12.938 1.00 0.02 C ATOM 787 NE ARG A 51 -0.049 11.050 14.085 1.00 0.02 N ATOM 788 CZ ARG A 51 1.045 11.745 13.933 1.00 0.02 C ATOM 789 NH1 ARG A 51 1.327 12.273 12.773 1.00 0.02 N ATOM 790 NH2 ARG A 51 1.857 11.907 14.940 1.00 0.01 N ATOM 0 H ARG A 51 -2.441 7.164 10.503 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.618 7.791 13.220 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.220 9.471 11.121 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.602 10.193 11.921 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -2.590 10.011 14.099 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -1.406 8.842 13.549 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -0.424 10.645 12.030 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -1.531 11.796 12.753 1.00 0.02 H new ATOM 0 HE ARG A 51 -0.265 10.629 14.989 1.00 0.02 H new ATOM 0 HH11 ARG A 51 0.692 12.142 11.985 1.00 0.02 H new ATOM 0 HH12 ARG A 51 2.182 12.816 12.654 1.00 0.02 H new ATOM 0 HH21 ARG A 51 1.637 11.491 15.845 1.00 0.01 H new ATOM 0 HH22 ARG A 51 2.713 12.450 14.823 1.00 0.01 H new ATOM 804 N PRO A 52 -5.899 8.457 12.157 1.00 0.02 N ATOM 805 CA PRO A 52 -7.273 8.466 11.570 1.00 0.02 C ATOM 806 C PRO A 52 -7.336 9.185 10.219 1.00 0.01 C ATOM 807 O PRO A 52 -6.447 9.914 9.831 1.00 0.02 O ATOM 808 CB PRO A 52 -8.104 9.203 12.646 1.00 0.02 C ATOM 809 CG PRO A 52 -7.151 9.659 13.770 1.00 0.01 C ATOM 810 CD PRO A 52 -5.793 8.969 13.558 1.00 0.01 C ATOM 0 HA PRO A 52 -7.637 7.463 11.349 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.613 10.062 12.209 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -8.875 8.545 13.046 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.034 10.743 13.753 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.562 9.398 14.746 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -4.963 9.666 13.673 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.633 8.162 14.273 1.00 0.01 H new ATOM 818 N ASN A 53 -8.430 8.991 9.530 1.00 0.02 N ATOM 819 CA ASN A 53 -8.640 9.664 8.222 1.00 0.02 C ATOM 820 C ASN A 53 -7.611 9.200 7.193 1.00 0.01 C ATOM 821 O ASN A 53 -7.163 9.954 6.353 1.00 0.01 O ATOM 822 CB ASN A 53 -8.540 11.181 8.421 1.00 0.01 C ATOM 823 CG ASN A 53 -9.181 11.562 9.757 1.00 0.02 C ATOM 824 OD1 ASN A 53 -8.515 12.060 10.642 1.00 0.02 O ATOM 825 ND2 ASN A 53 -10.454 11.346 9.940 1.00 0.01 N ATOM 0 H ASN A 53 -9.196 8.385 9.826 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.628 9.403 7.844 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -7.496 11.493 8.404 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -9.041 11.700 7.604 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -10.891 11.595 10.827 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -11.012 10.928 9.196 1.00 0.01 H new ATOM 832 N PHE A 54 -7.256 7.944 7.248 1.00 0.02 N ATOM 833 CA PHE A 54 -6.279 7.385 6.272 1.00 0.01 C ATOM 834 C PHE A 54 -5.088 8.333 6.098 1.00 0.01 C ATOM 835 O PHE A 54 -4.709 8.685 4.997 1.00 0.02 O ATOM 836 CB PHE A 54 -6.983 7.162 4.924 1.00 1.78 C ATOM 837 CG PHE A 54 -8.427 6.773 5.163 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.728 5.547 5.769 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.461 7.637 4.784 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.063 5.186 5.993 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.796 7.276 5.009 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.096 6.049 5.614 1.00 3.39 C ATOM 0 H PHE A 54 -7.605 7.276 7.935 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.902 6.434 6.648 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -6.935 8.070 4.323 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.474 6.380 4.361 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.931 4.880 6.064 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.229 8.583 4.318 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.295 4.240 6.459 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.593 7.943 4.716 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.125 5.769 5.788 1.00 3.39 H new ATOM 852 N SER A 55 -4.500 8.741 7.198 1.00 0.02 N ATOM 853 CA SER A 55 -3.323 9.672 7.145 1.00 0.02 C ATOM 854 C SER A 55 -2.146 9.070 7.920 1.00 0.01 C ATOM 855 O SER A 55 -2.306 8.142 8.690 1.00 0.01 O ATOM 856 CB SER A 55 -3.711 11.009 7.779 1.00 1.90 C ATOM 857 OG SER A 55 -4.588 11.706 6.904 1.00 2.33 O ATOM 0 H SER A 55 -4.786 8.468 8.138 1.00 0.02 H new ATOM 0 HA SER A 55 -3.030 9.823 6.106 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.196 10.842 8.741 1.00 1.90 H new ATOM 0 HB3 SER A 55 -2.820 11.606 7.971 1.00 1.90 H new ATOM 0 HG SER A 55 -5.384 11.159 6.734 1.00 2.33 H new ATOM 863 N GLY A 56 -0.957 9.578 7.706 1.00 0.02 N ATOM 864 CA GLY A 56 0.241 9.027 8.407 1.00 0.02 C ATOM 865 C GLY A 56 0.835 7.881 7.580 1.00 0.02 C ATOM 866 O GLY A 56 0.572 7.763 6.400 1.00 0.00 O ATOM 0 H GLY A 56 -0.766 10.354 7.073 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.985 9.811 8.549 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.037 8.668 9.398 1.00 0.02 H new ATOM 870 N HIS A 57 1.646 7.049 8.173 1.00 0.02 N ATOM 871 CA HIS A 57 2.263 5.935 7.391 1.00 0.02 C ATOM 872 C HIS A 57 1.181 4.945 6.952 1.00 0.01 C ATOM 873 O HIS A 57 0.300 4.611 7.715 1.00 0.01 O ATOM 874 CB HIS A 57 3.297 5.214 8.258 1.00 0.00 C ATOM 875 CG HIS A 57 4.169 4.359 7.383 1.00 0.01 C ATOM 876 ND1 HIS A 57 3.641 3.429 6.501 1.00 0.01 N ATOM 877 CD2 HIS A 57 5.531 4.288 7.232 1.00 0.01 C ATOM 878 CE1 HIS A 57 4.672 2.847 5.863 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.848 3.332 6.271 1.00 0.01 N ATOM 0 H HIS A 57 1.908 7.089 9.158 1.00 0.02 H new ATOM 0 HA HIS A 57 2.751 6.345 6.507 1.00 0.02 H new ATOM 0 HB2 HIS A 57 3.905 5.940 8.799 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.796 4.598 9.005 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.249 4.884 7.776 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.562 2.080 5.111 1.00 0.02 H new ATOM 0 HE2 HIS A 57 6.777 3.061 5.948 1.00 0.01 H new ATOM 887 N MET A 58 1.256 4.470 5.728 1.00 0.02 N ATOM 888 CA MET A 58 0.241 3.487 5.221 1.00 0.02 C ATOM 889 C MET A 58 0.940 2.175 4.841 1.00 0.01 C ATOM 890 O MET A 58 1.997 2.168 4.241 1.00 0.01 O ATOM 891 CB MET A 58 -0.463 4.072 3.995 1.00 2.61 C ATOM 892 CG MET A 58 0.516 4.168 2.826 1.00 3.46 C ATOM 893 SD MET A 58 -0.206 5.191 1.520 1.00 4.50 S ATOM 894 CE MET A 58 -1.261 3.911 0.792 1.00 5.01 C ATOM 0 H MET A 58 1.980 4.722 5.056 1.00 0.02 H new ATOM 0 HA MET A 58 -0.495 3.288 6.000 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.311 3.445 3.719 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.859 5.060 4.230 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.459 4.599 3.162 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.740 3.173 2.442 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.951 4.368 0.083 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.641 3.179 0.274 1.00 5.01 H new ATOM 0 HE3 MET A 58 -1.827 3.414 1.580 1.00 5.01 H new ATOM 904 N TYR A 59 0.352 1.064 5.199 1.00 0.02 N ATOM 905 CA TYR A 59 0.954 -0.275 4.886 1.00 0.01 C ATOM 906 C TYR A 59 -0.126 -1.185 4.283 1.00 0.01 C ATOM 907 O TYR A 59 -1.261 -1.203 4.715 1.00 0.02 O ATOM 908 CB TYR A 59 1.477 -0.909 6.188 1.00 0.01 C ATOM 909 CG TYR A 59 2.898 -0.462 6.459 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.927 -0.858 5.597 1.00 0.01 C ATOM 911 CD2 TYR A 59 3.189 0.338 7.573 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.245 -0.457 5.848 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.508 0.740 7.822 1.00 0.01 C ATOM 914 CZ TYR A 59 5.535 0.342 6.959 1.00 0.01 C ATOM 915 OH TYR A 59 6.835 0.735 7.206 1.00 0.01 O ATOM 0 H TYR A 59 -0.534 1.023 5.703 1.00 0.02 H new ATOM 0 HA TYR A 59 1.773 -0.155 4.177 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.835 -0.625 7.022 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.439 -1.996 6.112 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.704 -1.473 4.738 1.00 0.01 H new ATOM 0 HD2 TYR A 59 2.396 0.644 8.239 1.00 0.01 H new ATOM 0 HE1 TYR A 59 6.038 -0.765 5.183 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.732 1.357 8.680 1.00 0.01 H new ATOM 0 HH TYR A 59 6.906 1.708 7.110 1.00 0.01 H new ATOM 925 N ILE A 60 0.241 -1.959 3.291 1.00 0.02 N ATOM 926 CA ILE A 60 -0.727 -2.901 2.653 1.00 0.01 C ATOM 927 C ILE A 60 -0.545 -4.285 3.284 1.00 0.01 C ATOM 928 O ILE A 60 0.565 -4.761 3.418 1.00 0.01 O ATOM 929 CB ILE A 60 -0.460 -2.981 1.146 1.00 0.45 C ATOM 930 CG1 ILE A 60 -0.227 -1.571 0.589 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.664 -3.613 0.441 1.00 1.21 C ATOM 932 CD1 ILE A 60 -1.368 -0.642 1.017 1.00 1.72 C ATOM 0 H ILE A 60 1.180 -1.977 2.893 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.747 -2.549 2.809 1.00 0.01 H new ATOM 0 HB ILE A 60 0.425 -3.593 0.971 1.00 0.45 H new ATOM 0 HG12 ILE A 60 0.725 -1.181 0.950 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -0.165 -1.607 -0.499 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.471 -3.668 -0.630 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.829 -4.617 0.832 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.550 -3.004 0.619 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.194 0.357 0.617 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -2.313 -1.026 0.634 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -1.410 -0.595 2.105 1.00 1.72 H new ATOM 944 N LEU A 61 -1.618 -4.927 3.688 1.00 0.01 N ATOM 945 CA LEU A 61 -1.500 -6.280 4.332 1.00 0.01 C ATOM 946 C LEU A 61 -2.331 -7.331 3.556 1.00 0.01 C ATOM 947 O LEU A 61 -3.543 -7.263 3.563 1.00 0.00 O ATOM 948 CB LEU A 61 -2.044 -6.194 5.775 1.00 0.01 C ATOM 949 CG LEU A 61 -0.953 -5.701 6.744 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.567 -5.557 8.139 1.00 0.01 C ATOM 951 CD2 LEU A 61 0.227 -6.703 6.794 1.00 0.01 C ATOM 0 H LEU A 61 -2.571 -4.574 3.600 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.452 -6.580 4.327 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.897 -5.517 5.807 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.402 -7.173 6.092 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.571 -4.741 6.398 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.806 -5.208 8.837 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.385 -4.837 8.104 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -1.948 -6.523 8.470 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.987 -6.336 7.484 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -0.134 -7.674 7.134 1.00 0.01 H new ATOM 0 HD23 LEU A 61 0.660 -6.805 5.799 1.00 0.01 H new ATOM 963 N PRO A 62 -1.720 -8.322 2.916 1.00 0.02 N ATOM 964 CA PRO A 62 -2.515 -9.366 2.214 1.00 0.01 C ATOM 965 C PRO A 62 -3.094 -10.366 3.229 1.00 0.00 C ATOM 966 O PRO A 62 -2.741 -10.352 4.393 1.00 0.02 O ATOM 967 CB PRO A 62 -1.465 -10.022 1.304 1.00 1.47 C ATOM 968 CG PRO A 62 -0.075 -9.667 1.859 1.00 1.29 C ATOM 969 CD PRO A 62 -0.234 -8.477 2.826 1.00 0.82 C ATOM 0 HA PRO A 62 -3.374 -8.982 1.663 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.602 -11.103 1.280 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.570 -9.664 0.280 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.358 -10.523 2.377 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.604 -9.409 1.047 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.211 -8.684 3.799 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.244 -7.576 2.442 1.00 0.82 H new ATOM 977 N GLN A 63 -3.977 -11.227 2.807 1.00 0.02 N ATOM 978 CA GLN A 63 -4.571 -12.211 3.761 1.00 0.00 C ATOM 979 C GLN A 63 -3.460 -12.952 4.516 1.00 0.00 C ATOM 980 O GLN A 63 -2.434 -13.282 3.954 1.00 0.02 O ATOM 981 CB GLN A 63 -5.429 -13.222 2.989 1.00 1.27 C ATOM 982 CG GLN A 63 -4.655 -13.768 1.781 1.00 1.67 C ATOM 983 CD GLN A 63 -4.722 -12.767 0.624 1.00 2.43 C ATOM 984 OE1 GLN A 63 -5.775 -12.543 0.061 1.00 4.25 O ATOM 985 NE2 GLN A 63 -3.636 -12.149 0.248 1.00 3.04 N ATOM 0 H GLN A 63 -4.314 -11.294 1.847 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.193 -11.677 4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.715 -14.043 3.647 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -6.350 -12.746 2.654 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -3.616 -13.951 2.056 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -5.075 -14.725 1.471 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -2.752 -12.337 0.721 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -3.671 -11.477 -0.519 1.00 3.04 H new ATOM 994 N GLY A 64 -3.646 -13.218 5.787 1.00 0.02 N ATOM 995 CA GLY A 64 -2.582 -13.940 6.547 1.00 0.01 C ATOM 996 C GLY A 64 -2.679 -13.628 8.044 1.00 0.02 C ATOM 997 O GLY A 64 -3.559 -12.921 8.493 1.00 0.02 O ATOM 0 H GLY A 64 -4.477 -12.970 6.323 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.679 -15.014 6.387 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.600 -13.650 6.173 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.766 -14.162 8.819 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.769 -13.921 10.299 1.00 0.02 C ATOM 1003 C GLU A 65 -0.469 -13.227 10.709 1.00 0.02 C ATOM 1004 O GLU A 65 0.616 -13.661 10.376 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.872 -15.265 11.024 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.770 -15.038 12.536 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.249 -16.288 13.275 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -3.316 -16.777 12.939 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -1.545 -16.733 14.165 1.00 0.96 O ATOM 0 H GLU A 65 -1.010 -14.761 8.487 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.617 -13.289 10.564 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.817 -15.750 10.781 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -1.077 -15.932 10.691 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -0.740 -14.813 12.812 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.373 -14.178 12.826 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.585 -12.155 11.452 1.00 0.02 N ATOM 1017 CA TYR A 66 0.615 -11.404 11.931 1.00 0.02 C ATOM 1018 C TYR A 66 0.580 -11.395 13.471 1.00 0.02 C ATOM 1019 O TYR A 66 -0.094 -10.573 14.064 1.00 0.02 O ATOM 1020 CB TYR A 66 0.525 -9.971 11.402 1.00 0.01 C ATOM 1021 CG TYR A 66 0.390 -10.029 9.900 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.858 -10.284 9.323 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.515 -9.848 9.085 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.986 -10.356 7.931 1.00 0.02 C ATOM 1025 CE2 TYR A 66 1.388 -9.922 7.693 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.138 -10.175 7.116 1.00 0.02 C ATOM 1027 OH TYR A 66 0.011 -10.247 5.742 1.00 0.01 O ATOM 0 H TYR A 66 -1.477 -11.762 11.752 1.00 0.02 H new ATOM 0 HA TYR A 66 1.540 -11.864 11.582 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.330 -9.457 11.841 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.414 -9.406 11.682 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.724 -10.426 9.952 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.479 -9.652 9.530 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.951 -10.551 7.486 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.255 -9.784 7.064 1.00 0.02 H new ATOM 0 HH TYR A 66 -0.939 -10.257 5.501 1.00 0.01 H new ATOM 1037 N PRO A 67 1.271 -12.311 14.133 1.00 0.01 N ATOM 1038 CA PRO A 67 1.238 -12.360 15.623 1.00 0.02 C ATOM 1039 C PRO A 67 1.928 -11.165 16.299 1.00 0.02 C ATOM 1040 O PRO A 67 1.897 -11.044 17.506 1.00 0.02 O ATOM 1041 CB PRO A 67 1.969 -13.684 15.944 1.00 0.02 C ATOM 1042 CG PRO A 67 2.491 -14.289 14.622 1.00 0.02 C ATOM 1043 CD PRO A 67 2.106 -13.350 13.463 1.00 0.01 C ATOM 0 HA PRO A 67 0.218 -12.310 16.003 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.796 -13.503 16.630 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.292 -14.381 16.438 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.573 -14.413 14.664 1.00 0.02 H new ATOM 0 HG3 PRO A 67 2.063 -15.279 14.464 1.00 0.02 H new ATOM 0 HD2 PRO A 67 2.985 -12.916 12.987 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.550 -13.875 12.686 1.00 0.01 H new ATOM 1051 N GLU A 68 2.531 -10.273 15.557 1.00 0.01 N ATOM 1052 CA GLU A 68 3.188 -9.101 16.210 1.00 0.01 C ATOM 1053 C GLU A 68 3.305 -7.981 15.177 1.00 0.03 C ATOM 1054 O GLU A 68 3.289 -8.206 13.985 1.00 0.02 O ATOM 1055 CB GLU A 68 4.595 -9.480 16.689 1.00 0.69 C ATOM 1056 CG GLU A 68 4.505 -10.461 17.861 1.00 1.09 C ATOM 1057 CD GLU A 68 5.870 -10.565 18.542 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.820 -10.027 18.000 1.00 1.55 O ATOM 1059 OE2 GLU A 68 5.942 -11.179 19.594 1.00 2.02 O ATOM 0 H GLU A 68 2.597 -10.303 14.540 1.00 0.01 H new ATOM 0 HA GLU A 68 2.595 -8.781 17.067 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.157 -9.930 15.871 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.137 -8.585 16.994 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.755 -10.123 18.576 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.188 -11.441 17.505 1.00 1.09 H new ATOM 1066 N TYR A 69 3.367 -6.765 15.639 1.00 0.02 N ATOM 1067 CA TYR A 69 3.418 -5.611 14.707 1.00 0.02 C ATOM 1068 C TYR A 69 4.647 -5.665 13.797 1.00 0.01 C ATOM 1069 O TYR A 69 4.577 -5.346 12.626 1.00 0.01 O ATOM 1070 CB TYR A 69 3.386 -4.305 15.506 1.00 0.02 C ATOM 1071 CG TYR A 69 4.633 -4.190 16.351 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.720 -4.872 17.572 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.701 -3.395 15.915 1.00 0.02 C ATOM 1074 CE1 TYR A 69 5.875 -4.758 18.356 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.854 -3.284 16.699 1.00 0.02 C ATOM 1076 CZ TYR A 69 6.942 -3.963 17.919 1.00 0.02 C ATOM 1077 OH TYR A 69 8.078 -3.846 18.695 1.00 0.01 O ATOM 0 H TYR A 69 3.385 -6.521 16.629 1.00 0.02 H new ATOM 0 HA TYR A 69 2.543 -5.658 14.058 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.316 -3.455 14.828 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.501 -4.279 16.142 1.00 0.02 H new ATOM 0 HD1 TYR A 69 3.897 -5.485 17.908 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.634 -2.868 14.974 1.00 0.02 H new ATOM 0 HE1 TYR A 69 5.943 -5.283 19.297 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.678 -2.673 16.362 1.00 0.02 H new ATOM 0 HH TYR A 69 8.761 -4.469 18.371 1.00 0.01 H new ATOM 1087 N GLN A 70 5.775 -6.066 14.321 1.00 0.01 N ATOM 1088 CA GLN A 70 7.006 -6.144 13.486 1.00 0.02 C ATOM 1089 C GLN A 70 6.787 -7.106 12.311 1.00 0.01 C ATOM 1090 O GLN A 70 7.435 -7.015 11.287 1.00 0.02 O ATOM 1091 CB GLN A 70 8.164 -6.658 14.341 1.00 0.01 C ATOM 1092 CG GLN A 70 8.281 -5.802 15.603 1.00 0.01 C ATOM 1093 CD GLN A 70 9.415 -6.335 16.481 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.758 -5.737 17.482 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.013 -7.444 16.147 1.00 0.02 N ATOM 0 H GLN A 70 5.896 -6.344 15.295 1.00 0.01 H new ATOM 0 HA GLN A 70 7.237 -5.151 13.100 1.00 0.02 H new ATOM 0 HB2 GLN A 70 7.997 -7.701 14.610 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.094 -6.619 13.774 1.00 0.01 H new ATOM 0 HG2 GLN A 70 8.473 -4.763 15.334 1.00 0.01 H new ATOM 0 HG3 GLN A 70 7.341 -5.819 16.155 1.00 0.01 H new ATOM 0 HE21 GLN A 70 9.725 -7.946 15.307 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.769 -7.810 16.726 1.00 0.02 H new ATOM 1104 N ARG A 71 5.865 -8.021 12.458 1.00 0.01 N ATOM 1105 CA ARG A 71 5.587 -8.983 11.354 1.00 0.02 C ATOM 1106 C ARG A 71 4.888 -8.231 10.222 1.00 0.01 C ATOM 1107 O ARG A 71 4.839 -8.670 9.090 1.00 0.02 O ATOM 1108 CB ARG A 71 4.693 -10.118 11.861 1.00 0.34 C ATOM 1109 CG ARG A 71 4.717 -11.290 10.867 1.00 0.72 C ATOM 1110 CD ARG A 71 5.992 -12.147 11.065 1.00 1.04 C ATOM 1111 NE ARG A 71 6.635 -12.431 9.740 1.00 1.67 N ATOM 1112 CZ ARG A 71 5.932 -12.845 8.717 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.661 -13.101 8.848 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.515 -13.024 7.563 1.00 3.42 N ATOM 0 H ARG A 71 5.294 -8.143 13.294 1.00 0.01 H new ATOM 0 HA ARG A 71 6.520 -9.416 10.993 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.037 -10.453 12.840 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.672 -9.759 11.988 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.831 -11.909 11.005 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.683 -10.909 9.846 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.694 -11.623 11.714 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.737 -13.083 11.562 1.00 1.04 H new ATOM 0 HE ARG A 71 7.641 -12.299 9.634 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.207 -12.979 9.753 1.00 2.54 H new ATOM 0 HH12 ARG A 71 4.120 -13.423 8.045 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.513 -12.841 7.462 1.00 3.42 H new ATOM 0 HH22 ARG A 71 5.972 -13.347 6.762 1.00 3.42 H new ATOM 1128 N TRP A 72 4.344 -7.089 10.547 1.00 0.02 N ATOM 1129 CA TRP A 72 3.629 -6.242 9.548 1.00 0.01 C ATOM 1130 C TRP A 72 4.534 -5.043 9.233 1.00 0.01 C ATOM 1131 O TRP A 72 4.151 -4.102 8.568 1.00 0.02 O ATOM 1132 CB TRP A 72 2.290 -5.813 10.196 1.00 0.02 C ATOM 1133 CG TRP A 72 1.854 -4.442 9.778 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.574 -4.054 8.513 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.615 -3.280 10.627 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.190 -2.726 8.532 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.201 -2.205 9.809 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.721 -3.057 12.013 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.904 -0.952 10.346 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.420 -1.795 12.556 1.00 0.02 C ATOM 1141 CH2 TRP A 72 1.014 -0.745 11.722 1.00 0.02 C ATOM 0 H TRP A 72 4.366 -6.698 11.489 1.00 0.02 H new ATOM 0 HA TRP A 72 3.413 -6.761 8.614 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.516 -6.532 9.929 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.391 -5.842 11.281 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.640 -4.678 7.634 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.930 -2.195 7.701 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.035 -3.860 12.663 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.590 -0.146 9.700 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.502 -1.635 13.621 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.786 0.223 12.143 1.00 0.02 H new ATOM 1152 N MET A 73 5.743 -5.092 9.713 1.00 0.02 N ATOM 1153 CA MET A 73 6.709 -3.984 9.467 1.00 0.02 C ATOM 1154 C MET A 73 6.178 -2.670 10.047 1.00 0.01 C ATOM 1155 O MET A 73 6.575 -1.595 9.644 1.00 0.02 O ATOM 1156 CB MET A 73 6.933 -3.820 7.962 1.00 0.02 C ATOM 1157 CG MET A 73 7.082 -5.198 7.313 1.00 0.01 C ATOM 1158 SD MET A 73 7.777 -5.014 5.654 1.00 0.01 S ATOM 1159 CE MET A 73 6.251 -4.519 4.820 1.00 0.01 C ATOM 0 H MET A 73 6.109 -5.862 10.273 1.00 0.02 H new ATOM 0 HA MET A 73 7.652 -4.230 9.955 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.095 -3.285 7.515 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.826 -3.222 7.780 1.00 0.02 H new ATOM 0 HG2 MET A 73 7.729 -5.830 7.921 1.00 0.01 H new ATOM 0 HG3 MET A 73 6.112 -5.693 7.259 1.00 0.01 H new ATOM 0 HE1 MET A 73 6.428 -4.453 3.746 1.00 0.01 H new ATOM 0 HE2 MET A 73 5.474 -5.258 5.015 1.00 0.01 H new ATOM 0 HE3 MET A 73 5.930 -3.547 5.195 1.00 0.01 H new ATOM 1169 N GLY A 74 5.276 -2.758 10.990 1.00 0.02 N ATOM 1170 CA GLY A 74 4.710 -1.523 11.600 1.00 0.02 C ATOM 1171 C GLY A 74 5.842 -0.702 12.214 1.00 0.01 C ATOM 1172 O GLY A 74 6.767 -1.240 12.787 1.00 0.01 O ATOM 0 H GLY A 74 4.908 -3.633 11.363 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.188 -0.936 10.844 1.00 0.02 H new ATOM 0 HA3 GLY A 74 3.978 -1.783 12.364 1.00 0.02 H new ATOM 1176 N LEU A 75 5.756 0.597 12.141 1.00 0.02 N ATOM 1177 CA LEU A 75 6.812 1.439 12.773 1.00 0.02 C ATOM 1178 C LEU A 75 6.528 1.461 14.284 1.00 0.01 C ATOM 1179 O LEU A 75 7.423 1.539 15.102 1.00 0.02 O ATOM 1180 CB LEU A 75 6.760 2.861 12.176 1.00 0.55 C ATOM 1181 CG LEU A 75 8.159 3.492 12.166 1.00 0.58 C ATOM 1182 CD1 LEU A 75 8.061 4.939 11.675 1.00 0.98 C ATOM 1183 CD2 LEU A 75 8.750 3.467 13.584 1.00 0.42 C ATOM 0 H LEU A 75 5.007 1.110 11.675 1.00 0.02 H new ATOM 0 HA LEU A 75 7.809 1.040 12.588 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.365 2.821 11.161 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.079 3.482 12.758 1.00 0.55 H new ATOM 0 HG LEU A 75 8.807 2.924 11.498 1.00 0.58 H new ATOM 0 HD11 LEU A 75 9.054 5.389 11.667 1.00 0.98 H new ATOM 0 HD12 LEU A 75 7.648 4.954 10.666 1.00 0.98 H new ATOM 0 HD13 LEU A 75 7.411 5.506 12.341 1.00 0.98 H new ATOM 0 HD21 LEU A 75 9.743 3.916 13.572 1.00 0.42 H new ATOM 0 HD22 LEU A 75 8.105 4.031 14.257 1.00 0.42 H new ATOM 0 HD23 LEU A 75 8.822 2.436 13.930 1.00 0.42 H new ATOM 1195 N ASN A 76 5.276 1.352 14.648 1.00 0.01 N ATOM 1196 CA ASN A 76 4.873 1.322 16.077 1.00 0.02 C ATOM 1197 C ASN A 76 3.518 0.617 16.125 1.00 0.02 C ATOM 1198 O ASN A 76 3.072 0.078 15.132 1.00 0.02 O ATOM 1199 CB ASN A 76 4.749 2.750 16.615 1.00 0.02 C ATOM 1200 CG ASN A 76 3.878 3.577 15.665 1.00 0.02 C ATOM 1201 OD1 ASN A 76 3.114 3.032 14.895 1.00 0.01 O ATOM 1202 ND2 ASN A 76 3.963 4.877 15.684 1.00 0.02 N ATOM 0 H ASN A 76 4.499 1.281 13.992 1.00 0.01 H new ATOM 0 HA ASN A 76 5.609 0.802 16.690 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.309 2.738 17.612 1.00 0.02 H new ATOM 0 HB3 ASN A 76 5.736 3.203 16.708 1.00 0.02 H new ATOM 0 HD21 ASN A 76 3.388 5.435 15.053 1.00 0.02 H new ATOM 0 HD22 ASN A 76 4.604 5.337 16.330 1.00 0.02 H new ATOM 1209 N ASP A 77 2.856 0.593 17.253 1.00 0.01 N ATOM 1210 CA ASP A 77 1.534 -0.109 17.327 1.00 0.01 C ATOM 1211 C ASP A 77 0.385 0.895 17.179 1.00 0.01 C ATOM 1212 O ASP A 77 -0.696 0.684 17.693 1.00 0.01 O ATOM 1213 CB ASP A 77 1.414 -0.806 18.685 1.00 0.01 C ATOM 1214 CG ASP A 77 2.455 -1.923 18.780 1.00 0.01 C ATOM 1215 OD1 ASP A 77 2.985 -2.304 17.748 1.00 0.01 O ATOM 1216 OD2 ASP A 77 2.703 -2.379 19.883 1.00 0.02 O ATOM 0 H ASP A 77 3.169 1.025 18.122 1.00 0.01 H new ATOM 0 HA ASP A 77 1.475 -0.838 16.519 1.00 0.01 H new ATOM 0 HB2 ASP A 77 1.563 -0.086 19.490 1.00 0.01 H new ATOM 0 HB3 ASP A 77 0.412 -1.217 18.807 1.00 0.01 H new ATOM 1221 N ARG A 78 0.607 1.989 16.495 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.478 3.009 16.338 1.00 0.01 C ATOM 1223 C ARG A 78 -1.214 2.818 15.009 1.00 0.02 C ATOM 1224 O ARG A 78 -0.624 2.864 13.950 1.00 0.02 O ATOM 1225 CB ARG A 78 0.134 4.417 16.404 1.00 0.43 C ATOM 1226 CG ARG A 78 0.333 4.835 17.869 1.00 0.80 C ATOM 1227 CD ARG A 78 0.939 6.248 17.938 1.00 1.00 C ATOM 1228 NE ARG A 78 1.847 6.347 19.123 1.00 1.30 N ATOM 1229 CZ ARG A 78 1.458 5.953 20.307 1.00 2.30 C ATOM 1230 NH1 ARG A 78 0.208 5.643 20.525 1.00 2.72 N ATOM 1231 NH2 ARG A 78 2.315 5.925 21.293 1.00 3.20 N ATOM 0 H ARG A 78 1.490 2.221 16.039 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.199 2.885 17.146 1.00 0.01 H new ATOM 0 HB2 ARG A 78 1.090 4.432 15.880 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -0.518 5.130 15.899 1.00 0.43 H new ATOM 0 HG2 ARG A 78 -0.622 4.814 18.394 1.00 0.80 H new ATOM 0 HG3 ARG A 78 0.989 4.125 18.372 1.00 0.80 H new ATOM 0 HD2 ARG A 78 1.493 6.462 17.024 1.00 1.00 H new ATOM 0 HD3 ARG A 78 0.146 6.992 18.012 1.00 1.00 H new ATOM 0 HE ARG A 78 2.786 6.728 19.005 1.00 1.30 H new ATOM 0 HH11 ARG A 78 -0.473 5.707 19.768 1.00 2.72 H new ATOM 0 HH12 ARG A 78 -0.087 5.336 21.452 1.00 2.72 H new ATOM 0 HH21 ARG A 78 3.282 6.210 21.137 1.00 3.20 H new ATOM 0 HH22 ARG A 78 2.017 5.618 22.219 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.507 2.628 15.063 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.321 2.464 13.819 1.00 0.01 C ATOM 1247 C LEU A 79 -4.684 3.122 14.069 1.00 0.01 C ATOM 1248 O LEU A 79 -5.382 2.768 14.999 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.504 0.973 13.506 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.242 0.417 12.820 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.390 -1.097 12.649 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -2.035 1.077 11.436 1.00 2.61 C ATOM 0 H LEU A 79 -3.042 2.579 15.930 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.823 2.930 12.969 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -3.700 0.422 14.426 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.370 0.833 12.860 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.375 0.640 13.442 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.500 -1.497 12.164 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.511 -1.563 13.627 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.265 -1.310 12.035 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -1.138 0.670 10.969 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.898 0.873 10.803 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.922 2.154 11.560 1.00 2.61 H new ATOM 1264 N GLY A 80 -5.045 4.112 13.283 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.343 4.841 13.515 1.00 0.02 C ATOM 1266 C GLY A 80 -7.390 4.554 12.431 1.00 0.02 C ATOM 1267 O GLY A 80 -8.563 4.824 12.623 1.00 0.01 O ATOM 0 H GLY A 80 -4.499 4.449 12.490 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.746 4.556 14.487 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.150 5.913 13.552 1.00 0.02 H new ATOM 1271 N SER A 81 -7.016 4.014 11.302 1.00 0.01 N ATOM 1272 CA SER A 81 -8.043 3.742 10.251 1.00 0.01 C ATOM 1273 C SER A 81 -7.573 2.624 9.331 1.00 0.02 C ATOM 1274 O SER A 81 -6.395 2.364 9.184 1.00 0.01 O ATOM 1275 CB SER A 81 -8.276 5.005 9.427 1.00 0.01 C ATOM 1276 OG SER A 81 -7.109 5.296 8.674 1.00 0.01 O ATOM 0 H SER A 81 -6.060 3.752 11.063 1.00 0.01 H new ATOM 0 HA SER A 81 -8.971 3.439 10.736 1.00 0.01 H new ATOM 0 HB2 SER A 81 -9.127 4.866 8.761 1.00 0.01 H new ATOM 0 HB3 SER A 81 -8.517 5.841 10.083 1.00 0.01 H new ATOM 0 HG SER A 81 -7.344 5.385 7.727 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.507 1.964 8.702 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.153 0.856 7.771 1.00 0.01 C ATOM 1284 C CYS A 82 -9.137 0.839 6.601 1.00 0.01 C ATOM 1285 O CYS A 82 -10.292 1.186 6.745 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.212 -0.481 8.512 1.00 0.01 C ATOM 1287 SG CYS A 82 -9.936 -0.891 8.878 1.00 0.02 S ATOM 0 H CYS A 82 -9.506 2.146 8.794 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.142 1.011 7.393 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -7.761 -1.266 7.905 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.637 -0.423 9.436 1.00 0.01 H new ATOM 0 HG CYS A 82 -10.721 -0.147 8.158 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.685 0.434 5.444 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.585 0.383 4.248 1.00 0.01 C ATOM 1295 C ARG A 83 -9.387 -0.952 3.543 1.00 0.01 C ATOM 1296 O ARG A 83 -8.281 -1.436 3.397 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.202 1.501 3.274 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.469 2.868 3.914 1.00 0.01 C ATOM 1299 CD ARG A 83 -8.693 3.952 3.156 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.622 3.589 1.713 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.262 4.483 0.831 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -7.961 5.694 1.215 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -8.206 4.166 -0.432 1.00 0.01 N ATOM 0 H ARG A 83 -7.725 0.134 5.272 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.621 0.502 4.565 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.149 1.416 3.005 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.775 1.404 2.352 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.536 3.088 3.893 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.167 2.856 4.961 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -9.184 4.918 3.276 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -7.689 4.051 3.568 1.00 0.01 H new ATOM 0 HE ARG A 83 -8.855 2.642 1.413 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -8.007 5.942 2.203 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -7.680 6.392 0.527 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -8.443 3.220 -0.731 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -7.925 4.864 -1.121 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.457 -1.559 3.098 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.336 -2.862 2.398 1.00 0.01 C ATOM 1319 C ALA A 84 -9.883 -2.601 0.967 1.00 0.01 C ATOM 1320 O ALA A 84 -10.438 -1.782 0.263 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.694 -3.564 2.358 1.00 0.43 C ATOM 0 H ALA A 84 -11.409 -1.204 3.192 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.619 -3.492 2.925 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.595 -4.519 1.842 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.045 -3.736 3.376 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.412 -2.938 1.828 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.894 -3.319 0.529 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.407 -3.152 -0.867 1.00 0.01 C ATOM 1329 C VAL A 85 -9.160 -4.136 -1.773 1.00 0.01 C ATOM 1330 O VAL A 85 -9.151 -5.330 -1.548 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.905 -3.429 -0.918 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.357 -3.080 -2.302 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.191 -2.575 0.133 1.00 1.12 C ATOM 0 H VAL A 85 -8.397 -4.019 1.079 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.587 -2.133 -1.210 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.732 -4.486 -0.715 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.286 -3.280 -2.330 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.859 -3.686 -3.056 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.534 -2.024 -2.508 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.120 -2.773 0.096 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.372 -1.520 -0.071 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.572 -2.823 1.124 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.808 -3.649 -2.800 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.553 -4.561 -3.723 1.00 0.01 C ATOM 1345 C HIS A 86 -9.621 -4.952 -4.864 1.00 0.01 C ATOM 1346 O HIS A 86 -8.934 -4.126 -5.427 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.772 -3.831 -4.291 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.704 -3.464 -3.169 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -12.775 -4.198 -1.996 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -13.610 -2.441 -3.027 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -13.694 -3.612 -1.206 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -14.233 -2.537 -1.787 1.00 1.71 N ATOM 0 H HIS A 86 -9.854 -2.659 -3.040 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.887 -5.448 -3.185 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.456 -2.934 -4.824 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.286 -4.466 -5.012 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -13.808 -1.678 -3.766 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -13.963 -3.968 -0.222 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -14.948 -1.919 -1.404 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.595 -6.213 -5.211 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.705 -6.683 -6.314 1.00 0.01 C ATOM 1362 C LEU A 87 -9.513 -6.792 -7.606 1.00 0.01 C ATOM 1363 O LEU A 87 -10.624 -7.285 -7.618 1.00 0.01 O ATOM 1364 CB LEU A 87 -8.149 -8.069 -5.944 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.847 -8.130 -4.444 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.190 -9.472 -4.115 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -6.897 -6.991 -4.064 1.00 1.34 C ATOM 0 H LEU A 87 -10.157 -6.943 -4.773 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.886 -5.978 -6.457 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.870 -8.842 -6.210 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -7.242 -8.270 -6.514 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.775 -8.028 -3.882 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -6.973 -9.519 -3.048 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -7.866 -10.284 -4.384 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.262 -9.571 -4.678 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.683 -7.036 -2.996 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -5.967 -7.090 -4.624 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.363 -6.034 -4.301 1.00 1.34 H new ATOM 1379 N SER A 88 -8.945 -6.359 -8.705 1.00 0.01 N ATOM 1380 CA SER A 88 -9.635 -6.451 -10.025 1.00 0.01 C ATOM 1381 C SER A 88 -8.904 -7.482 -10.885 1.00 0.01 C ATOM 1382 O SER A 88 -7.713 -7.359 -11.095 1.00 0.01 O ATOM 1383 CB SER A 88 -9.592 -5.094 -10.728 1.00 0.81 C ATOM 1384 OG SER A 88 -10.009 -4.081 -9.821 1.00 1.08 O ATOM 0 H SER A 88 -8.016 -5.939 -8.741 1.00 0.01 H new ATOM 0 HA SER A 88 -10.674 -6.746 -9.877 1.00 0.01 H new ATOM 0 HB2 SER A 88 -8.582 -4.887 -11.083 1.00 0.81 H new ATOM 0 HB3 SER A 88 -10.242 -5.104 -11.603 1.00 0.81 H new ATOM 0 HG SER A 88 -9.981 -3.210 -10.268 1.00 1.08 H new ATOM 1390 N SER A 89 -9.578 -8.462 -11.433 1.00 0.01 N ATOM 1391 CA SER A 89 -8.878 -9.439 -12.325 1.00 0.01 C ATOM 1392 C SER A 89 -9.264 -9.072 -13.756 1.00 0.01 C ATOM 1393 O SER A 89 -9.635 -7.943 -14.010 1.00 0.01 O ATOM 1394 CB SER A 89 -9.349 -10.860 -12.009 1.00 0.43 C ATOM 1395 OG SER A 89 -10.766 -10.914 -12.077 1.00 1.26 O ATOM 0 H SER A 89 -10.576 -8.628 -11.303 1.00 0.01 H new ATOM 0 HA SER A 89 -7.798 -9.402 -12.184 1.00 0.01 H new ATOM 0 HB2 SER A 89 -8.913 -11.565 -12.717 1.00 0.43 H new ATOM 0 HB3 SER A 89 -9.010 -11.155 -11.016 1.00 0.43 H new ATOM 0 HG SER A 89 -11.069 -11.824 -11.876 1.00 1.26 H new ATOM 1401 N GLY A 90 -9.232 -9.989 -14.695 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.654 -9.641 -16.090 1.00 0.00 C ATOM 1403 C GLY A 90 -8.712 -10.223 -17.142 1.00 0.00 C ATOM 1404 O GLY A 90 -9.157 -10.837 -18.091 1.00 0.01 O ATOM 0 H GLY A 90 -8.935 -10.955 -14.558 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.664 -10.012 -16.265 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.689 -8.557 -16.197 1.00 0.00 H new ATOM 1408 N GLY A 91 -7.420 -10.056 -17.007 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.519 -10.637 -18.044 1.00 0.00 C ATOM 1410 C GLY A 91 -5.044 -10.316 -17.773 1.00 0.00 C ATOM 1411 O GLY A 91 -4.407 -10.972 -16.972 1.00 0.01 O ATOM 0 H GLY A 91 -6.961 -9.556 -16.245 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.654 -11.718 -18.076 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.799 -10.251 -19.024 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.489 -9.339 -18.446 1.00 1.80 N ATOM 1416 CA GLN A 92 -3.038 -8.996 -18.242 1.00 2.31 C ATOM 1417 C GLN A 92 -2.886 -7.552 -17.756 1.00 1.91 C ATOM 1418 O GLN A 92 -3.260 -6.608 -18.423 1.00 2.31 O ATOM 1419 CB GLN A 92 -2.303 -9.196 -19.569 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.822 -8.845 -19.399 1.00 2.86 C ATOM 1421 CD GLN A 92 -0.068 -9.184 -20.686 1.00 3.70 C ATOM 1422 OE1 GLN A 92 0.384 -10.299 -20.860 1.00 3.99 O ATOM 1423 NE2 GLN A 92 0.087 -8.266 -21.601 1.00 4.43 N ATOM 0 H GLN A 92 -4.975 -8.760 -19.131 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.610 -9.646 -17.479 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.406 -10.229 -19.900 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.749 -8.568 -20.341 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.712 -7.785 -19.169 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -0.400 -9.399 -18.561 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -0.293 -7.331 -21.454 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.588 -8.484 -22.463 1.00 4.43 H new ATOM 1432 N ALA A 93 -2.332 -7.391 -16.581 1.00 0.01 N ATOM 1433 CA ALA A 93 -2.145 -6.021 -16.023 1.00 0.01 C ATOM 1434 C ALA A 93 -0.950 -5.358 -16.713 1.00 0.01 C ATOM 1435 O ALA A 93 0.113 -5.937 -16.829 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.877 -6.105 -14.519 1.00 2.99 C ATOM 0 H ALA A 93 -2.002 -8.150 -15.985 1.00 0.01 H new ATOM 0 HA ALA A 93 -3.047 -5.434 -16.195 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.741 -5.101 -14.117 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.723 -6.582 -14.025 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.975 -6.692 -14.342 1.00 2.99 H new ATOM 1442 N LYS A 94 -1.123 -4.150 -17.178 1.00 0.00 N ATOM 1443 CA LYS A 94 -0.017 -3.419 -17.875 1.00 0.01 C ATOM 1444 C LYS A 94 0.111 -2.021 -17.267 1.00 0.01 C ATOM 1445 O LYS A 94 -0.877 -1.369 -16.990 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.381 -3.315 -19.359 1.00 2.49 C ATOM 1447 CG LYS A 94 0.838 -2.844 -20.157 1.00 3.43 C ATOM 1448 CD LYS A 94 0.543 -2.939 -21.662 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.497 -1.884 -22.070 1.00 5.23 C ATOM 1450 NZ LYS A 94 -1.867 -2.388 -21.769 1.00 6.36 N ATOM 0 H LYS A 94 -1.996 -3.628 -17.105 1.00 0.00 H new ATOM 0 HA LYS A 94 0.932 -3.944 -17.762 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.718 -4.283 -19.729 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.207 -2.617 -19.493 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.084 -1.816 -19.890 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.706 -3.455 -19.908 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.462 -2.792 -22.229 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.174 -3.936 -21.905 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -0.315 -0.953 -21.533 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.406 -1.662 -23.133 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -2.476 -2.258 -22.602 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -1.820 -3.399 -21.529 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -2.263 -1.859 -20.966 1.00 6.36 H new ATOM 1464 N ILE A 95 1.322 -1.553 -17.054 1.00 0.00 N ATOM 1465 CA ILE A 95 1.512 -0.187 -16.454 1.00 0.01 C ATOM 1466 C ILE A 95 2.466 0.624 -17.330 1.00 0.01 C ATOM 1467 O ILE A 95 3.438 0.117 -17.860 1.00 0.01 O ATOM 1468 CB ILE A 95 2.091 -0.327 -15.043 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.475 1.055 -14.506 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.330 -1.222 -15.077 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.708 0.969 -12.997 1.00 1.09 C ATOM 0 H ILE A 95 2.184 -2.055 -17.268 1.00 0.00 H new ATOM 0 HA ILE A 95 0.552 0.327 -16.398 1.00 0.01 H new ATOM 0 HB ILE A 95 1.341 -0.775 -14.392 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.376 1.413 -15.004 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.684 1.774 -14.722 1.00 0.30 H new ATOM 0 HG21 ILE A 95 3.737 -1.318 -14.071 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.057 -2.208 -15.453 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.081 -0.779 -15.732 1.00 0.36 H new ATOM 0 HD11 ILE A 95 2.981 1.952 -12.614 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.796 0.630 -12.507 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.513 0.264 -12.793 1.00 1.09 H new ATOM 1483 N GLN A 96 2.214 1.909 -17.442 1.00 0.01 N ATOM 1484 CA GLN A 96 3.114 2.809 -18.225 1.00 0.01 C ATOM 1485 C GLN A 96 3.601 3.910 -17.282 1.00 0.01 C ATOM 1486 O GLN A 96 2.817 4.489 -16.554 1.00 0.00 O ATOM 1487 CB GLN A 96 2.364 3.413 -19.417 1.00 0.53 C ATOM 1488 CG GLN A 96 0.947 3.781 -19.003 1.00 0.82 C ATOM 1489 CD GLN A 96 0.280 4.587 -20.120 1.00 1.25 C ATOM 1490 OE1 GLN A 96 0.260 5.800 -20.077 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -0.269 3.960 -21.122 1.00 2.05 N ATOM 0 H GLN A 96 1.412 2.375 -17.017 1.00 0.01 H new ATOM 0 HA GLN A 96 3.960 2.249 -18.622 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.888 4.298 -19.778 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.338 2.700 -20.241 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.371 2.879 -18.798 1.00 0.82 H new ATOM 0 HG3 GLN A 96 0.966 4.363 -18.082 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -0.252 2.941 -21.157 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -0.716 4.489 -21.871 1.00 2.05 H new ATOM 1500 N VAL A 97 4.874 4.212 -17.277 1.00 0.01 N ATOM 1501 CA VAL A 97 5.403 5.284 -16.368 1.00 0.01 C ATOM 1502 C VAL A 97 6.130 6.337 -17.208 1.00 0.01 C ATOM 1503 O VAL A 97 6.717 6.033 -18.230 1.00 0.01 O ATOM 1504 CB VAL A 97 6.387 4.665 -15.369 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.629 3.766 -14.386 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.419 3.831 -16.133 1.00 1.03 C ATOM 0 H VAL A 97 5.576 3.762 -17.865 1.00 0.01 H new ATOM 0 HA VAL A 97 4.578 5.747 -15.826 1.00 0.01 H new ATOM 0 HB VAL A 97 6.891 5.457 -14.814 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.332 3.328 -13.677 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.891 4.359 -13.846 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.124 2.971 -14.935 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.122 3.388 -15.428 1.00 1.03 H new ATOM 0 HG22 VAL A 97 6.911 3.040 -16.685 1.00 1.03 H new ATOM 0 HG23 VAL A 97 7.959 4.471 -16.831 1.00 1.03 H new ATOM 1516 N PHE A 98 6.066 7.584 -16.791 1.00 0.01 N ATOM 1517 CA PHE A 98 6.720 8.688 -17.569 1.00 0.01 C ATOM 1518 C PHE A 98 7.768 9.418 -16.724 1.00 0.01 C ATOM 1519 O PHE A 98 7.615 9.617 -15.534 1.00 0.01 O ATOM 1520 CB PHE A 98 5.648 9.677 -18.020 1.00 0.25 C ATOM 1521 CG PHE A 98 4.691 8.979 -18.960 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.712 8.118 -18.451 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.779 9.198 -20.340 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.820 7.476 -19.320 1.00 0.56 C ATOM 1525 CE2 PHE A 98 3.888 8.558 -21.210 1.00 0.73 C ATOM 1526 CZ PHE A 98 2.909 7.697 -20.699 1.00 0.69 C ATOM 0 H PHE A 98 5.587 7.884 -15.942 1.00 0.01 H new ATOM 0 HA PHE A 98 7.225 8.255 -18.432 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.109 10.066 -17.156 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.109 10.529 -18.519 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.644 7.948 -17.387 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.535 9.861 -20.734 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.065 6.812 -18.926 1.00 0.56 H new ATOM 0 HE2 PHE A 98 3.956 8.728 -22.274 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.222 7.203 -21.370 1.00 0.69 H new ATOM 1536 N GLU A 99 8.854 9.782 -17.354 1.00 0.01 N ATOM 1537 CA GLU A 99 9.965 10.465 -16.632 1.00 0.01 C ATOM 1538 C GLU A 99 9.549 11.855 -16.128 1.00 0.01 C ATOM 1539 O GLU A 99 10.055 12.319 -15.125 1.00 0.01 O ATOM 1540 CB GLU A 99 11.166 10.609 -17.569 1.00 0.01 C ATOM 1541 CG GLU A 99 12.352 11.181 -16.792 1.00 0.01 C ATOM 1542 CD GLU A 99 13.630 11.043 -17.624 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.628 10.248 -18.550 1.00 0.02 O ATOM 1544 OE2 GLU A 99 14.588 11.733 -17.322 1.00 0.01 O ATOM 0 H GLU A 99 9.019 9.633 -18.349 1.00 0.01 H new ATOM 0 HA GLU A 99 10.225 9.856 -15.766 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.429 9.640 -17.993 1.00 0.01 H new ATOM 0 HB3 GLU A 99 10.914 11.264 -18.403 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.172 12.230 -16.555 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.465 10.655 -15.844 1.00 0.01 H new ATOM 1551 N LYS A 100 8.645 12.533 -16.806 1.00 0.01 N ATOM 1552 CA LYS A 100 8.220 13.905 -16.348 1.00 0.01 C ATOM 1553 C LYS A 100 6.735 13.912 -15.969 1.00 0.01 C ATOM 1554 O LYS A 100 5.998 12.984 -16.250 1.00 0.01 O ATOM 1555 CB LYS A 100 8.465 14.925 -17.463 1.00 0.94 C ATOM 1556 CG LYS A 100 9.965 15.024 -17.740 1.00 1.63 C ATOM 1557 CD LYS A 100 10.242 16.230 -18.636 1.00 2.19 C ATOM 1558 CE LYS A 100 11.754 16.389 -18.822 1.00 2.84 C ATOM 1559 NZ LYS A 100 12.019 17.382 -19.900 1.00 3.18 N ATOM 0 H LYS A 100 8.185 12.199 -17.653 1.00 0.01 H new ATOM 0 HA LYS A 100 8.809 14.172 -15.471 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.936 14.625 -18.368 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.073 15.899 -17.172 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.513 15.121 -16.803 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.317 14.112 -18.222 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.757 16.097 -19.603 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.822 17.132 -18.190 1.00 2.19 H new ATOM 0 HE2 LYS A 100 12.214 16.717 -17.890 1.00 2.84 H new ATOM 0 HE3 LYS A 100 12.203 15.429 -19.078 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 13.045 17.491 -20.027 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 11.593 17.051 -20.789 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 11.604 18.299 -19.637 1.00 3.18 H new ATOM 1573 N GLY A 101 6.300 14.967 -15.332 1.00 0.01 N ATOM 1574 CA GLY A 101 4.874 15.072 -14.899 1.00 0.01 C ATOM 1575 C GLY A 101 3.940 15.168 -16.106 1.00 0.00 C ATOM 1576 O GLY A 101 4.349 15.468 -17.211 1.00 0.01 O ATOM 0 H GLY A 101 6.879 15.771 -15.090 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.608 14.203 -14.297 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.746 15.950 -14.265 1.00 0.01 H new ATOM 1580 N ASP A 102 2.675 14.931 -15.876 1.00 0.01 N ATOM 1581 CA ASP A 102 1.658 15.015 -16.967 1.00 0.00 C ATOM 1582 C ASP A 102 2.015 14.079 -18.121 1.00 0.00 C ATOM 1583 O ASP A 102 1.819 14.393 -19.278 1.00 0.01 O ATOM 1584 CB ASP A 102 1.584 16.456 -17.481 1.00 0.01 C ATOM 1585 CG ASP A 102 0.346 16.618 -18.367 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -0.533 15.775 -18.286 1.00 0.01 O ATOM 1587 OD2 ASP A 102 0.299 17.583 -19.114 1.00 0.01 O ATOM 0 H ASP A 102 2.297 14.679 -14.963 1.00 0.01 H new ATOM 0 HA ASP A 102 0.691 14.711 -16.565 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.538 17.151 -16.642 1.00 0.01 H new ATOM 0 HB3 ASP A 102 2.484 16.698 -18.047 1.00 0.01 H new ATOM 1592 N PHE A 103 2.512 12.914 -17.803 1.00 0.01 N ATOM 1593 CA PHE A 103 2.863 11.920 -18.854 1.00 0.01 C ATOM 1594 C PHE A 103 3.769 12.540 -19.916 1.00 0.00 C ATOM 1595 O PHE A 103 3.460 12.510 -21.091 1.00 0.01 O ATOM 1596 CB PHE A 103 1.587 11.406 -19.532 1.00 0.01 C ATOM 1597 CG PHE A 103 0.540 11.062 -18.493 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.835 10.155 -17.464 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.735 11.643 -18.565 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.139 9.835 -16.512 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.707 11.319 -17.614 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.409 10.416 -16.586 1.00 0.01 C ATOM 0 H PHE A 103 2.691 12.607 -16.847 1.00 0.01 H new ATOM 0 HA PHE A 103 3.392 11.097 -18.373 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.198 12.164 -20.212 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.816 10.526 -20.133 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.814 9.704 -17.407 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -0.966 12.341 -19.356 1.00 0.01 H new ATOM 0 HE1 PHE A 103 0.090 9.138 -15.719 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.689 11.766 -17.672 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.160 10.168 -15.850 1.00 0.01 H new ATOM 1612 N ASN A 104 4.896 13.079 -19.524 1.00 0.00 N ATOM 1613 CA ASN A 104 5.844 13.677 -20.520 1.00 0.01 C ATOM 1614 C ASN A 104 7.230 13.088 -20.271 1.00 0.01 C ATOM 1615 O ASN A 104 7.476 12.482 -19.248 1.00 0.01 O ATOM 1616 CB ASN A 104 5.897 15.199 -20.344 1.00 1.68 C ATOM 1617 CG ASN A 104 4.617 15.822 -20.902 1.00 2.31 C ATOM 1618 OD1 ASN A 104 4.025 15.300 -21.826 1.00 3.15 O ATOM 1619 ND2 ASN A 104 4.160 16.925 -20.377 1.00 2.38 N ATOM 0 H ASN A 104 5.204 13.132 -18.553 1.00 0.00 H new ATOM 0 HA ASN A 104 5.510 13.453 -21.533 1.00 0.01 H new ATOM 0 HB2 ASN A 104 6.006 15.450 -19.289 1.00 1.68 H new ATOM 0 HB3 ASN A 104 6.767 15.605 -20.860 1.00 1.68 H new ATOM 0 HD21 ASN A 104 3.307 17.348 -20.742 1.00 2.38 H new ATOM 0 HD22 ASN A 104 4.656 17.364 -19.601 1.00 2.38 H new ATOM 1626 N GLY A 105 8.142 13.245 -21.196 1.00 0.01 N ATOM 1627 CA GLY A 105 9.511 12.679 -20.997 1.00 0.01 C ATOM 1628 C GLY A 105 9.563 11.279 -21.602 1.00 0.01 C ATOM 1629 O GLY A 105 8.696 10.891 -22.360 1.00 0.01 O ATOM 0 H GLY A 105 7.999 13.739 -22.077 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.256 13.321 -21.468 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.751 12.639 -19.935 1.00 0.01 H new ATOM 1633 N GLN A 106 10.556 10.505 -21.266 1.00 0.01 N ATOM 1634 CA GLN A 106 10.635 9.125 -21.813 1.00 0.01 C ATOM 1635 C GLN A 106 9.592 8.264 -21.106 1.00 0.01 C ATOM 1636 O GLN A 106 9.317 8.430 -19.931 1.00 0.01 O ATOM 1637 CB GLN A 106 12.034 8.559 -21.557 1.00 0.01 C ATOM 1638 CG GLN A 106 12.169 7.187 -22.225 1.00 0.01 C ATOM 1639 CD GLN A 106 12.100 7.341 -23.745 1.00 0.01 C ATOM 1640 OE1 GLN A 106 12.338 8.411 -24.270 1.00 0.01 O ATOM 1641 NE2 GLN A 106 11.781 6.308 -24.479 1.00 0.01 N ATOM 0 H GLN A 106 11.315 10.769 -20.637 1.00 0.01 H new ATOM 0 HA GLN A 106 10.444 9.131 -22.886 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.789 9.240 -21.949 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.210 8.471 -20.485 1.00 0.01 H new ATOM 0 HG2 GLN A 106 13.114 6.725 -21.940 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.374 6.525 -21.881 1.00 0.01 H new ATOM 0 HE21 GLN A 106 11.582 5.411 -24.037 1.00 0.01 H new ATOM 0 HE22 GLN A 106 11.732 6.399 -25.494 1.00 0.01 H new ATOM 1650 N MET A 107 8.995 7.355 -21.833 1.00 0.01 N ATOM 1651 CA MET A 107 7.945 6.465 -21.246 1.00 0.01 C ATOM 1652 C MET A 107 8.419 5.014 -21.287 1.00 0.01 C ATOM 1653 O MET A 107 9.035 4.570 -22.236 1.00 0.01 O ATOM 1654 CB MET A 107 6.657 6.587 -22.066 1.00 0.00 C ATOM 1655 CG MET A 107 5.576 5.664 -21.488 1.00 0.01 C ATOM 1656 SD MET A 107 5.793 3.982 -22.139 1.00 0.01 S ATOM 1657 CE MET A 107 4.368 3.954 -23.260 1.00 0.01 C ATOM 0 H MET A 107 9.192 7.189 -22.820 1.00 0.01 H new ATOM 0 HA MET A 107 7.760 6.763 -20.214 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.307 7.619 -22.058 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.852 6.325 -23.106 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.637 5.654 -20.400 1.00 0.01 H new ATOM 0 HG3 MET A 107 4.586 6.040 -21.748 1.00 0.01 H new ATOM 0 HE1 MET A 107 4.322 2.990 -23.766 1.00 0.01 H new ATOM 0 HE2 MET A 107 3.453 4.108 -22.689 1.00 0.01 H new ATOM 0 HE3 MET A 107 4.472 4.747 -24.000 1.00 0.01 H new ATOM 1667 N TYR A 108 8.102 4.267 -20.264 1.00 0.01 N ATOM 1668 CA TYR A 108 8.482 2.824 -20.204 1.00 0.00 C ATOM 1669 C TYR A 108 7.237 2.023 -19.806 1.00 0.01 C ATOM 1670 O TYR A 108 6.491 2.406 -18.925 1.00 0.01 O ATOM 1671 CB TYR A 108 9.574 2.623 -19.153 1.00 0.54 C ATOM 1672 CG TYR A 108 10.883 3.161 -19.680 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.615 2.422 -20.618 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.364 4.399 -19.233 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.828 2.922 -21.109 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.578 4.896 -19.725 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.310 4.159 -20.663 1.00 1.82 C ATOM 1678 OH TYR A 108 14.505 4.651 -21.147 1.00 2.48 O ATOM 0 H TYR A 108 7.585 4.602 -19.451 1.00 0.01 H new ATOM 0 HA TYR A 108 8.858 2.491 -21.171 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.304 3.135 -18.229 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.673 1.564 -18.914 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.245 1.468 -20.962 1.00 1.24 H new ATOM 0 HD2 TYR A 108 10.800 4.969 -18.510 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.392 2.353 -21.833 1.00 1.76 H new ATOM 0 HE2 TYR A 108 12.950 5.850 -19.380 1.00 1.51 H new ATOM 0 HH TYR A 108 14.692 5.520 -20.735 1.00 2.48 H new ATOM 1688 N GLU A 109 6.998 0.925 -20.478 1.00 0.01 N ATOM 1689 CA GLU A 109 5.790 0.083 -20.190 1.00 0.01 C ATOM 1690 C GLU A 109 6.225 -1.324 -19.791 1.00 0.01 C ATOM 1691 O GLU A 109 7.092 -1.912 -20.408 1.00 0.01 O ATOM 1692 CB GLU A 109 4.934 0.021 -21.455 1.00 0.01 C ATOM 1693 CG GLU A 109 3.596 -0.656 -21.141 1.00 0.01 C ATOM 1694 CD GLU A 109 2.621 -0.411 -22.292 1.00 0.00 C ATOM 1695 OE1 GLU A 109 2.768 -1.058 -23.317 1.00 0.00 O ATOM 1696 OE2 GLU A 109 1.744 0.420 -22.128 1.00 0.00 O ATOM 0 H GLU A 109 7.595 0.569 -21.225 1.00 0.01 H new ATOM 0 HA GLU A 109 5.217 0.517 -19.371 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.762 1.027 -21.839 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.459 -0.532 -22.234 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.743 -1.726 -20.996 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.185 -0.261 -20.212 1.00 0.01 H new ATOM 1703 N THR A 110 5.636 -1.873 -18.756 1.00 0.01 N ATOM 1704 CA THR A 110 6.037 -3.244 -18.321 1.00 0.00 C ATOM 1705 C THR A 110 4.865 -3.982 -17.667 1.00 0.01 C ATOM 1706 O THR A 110 3.932 -3.397 -17.147 1.00 0.01 O ATOM 1707 CB THR A 110 7.188 -3.148 -17.320 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.504 -4.447 -16.838 1.00 1.65 O ATOM 1709 CG2 THR A 110 6.775 -2.255 -16.150 1.00 1.69 C ATOM 0 H THR A 110 4.902 -1.435 -18.200 1.00 0.01 H new ATOM 0 HA THR A 110 6.350 -3.801 -19.204 1.00 0.00 H new ATOM 0 HB THR A 110 8.062 -2.719 -17.811 1.00 1.21 H new ATOM 0 HG1 THR A 110 8.243 -4.387 -16.197 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.596 -2.187 -15.437 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.533 -1.259 -16.520 1.00 1.69 H new ATOM 0 HG23 THR A 110 5.901 -2.681 -15.658 1.00 1.69 H new ATOM 1717 N THR A 111 4.921 -5.285 -17.728 1.00 0.00 N ATOM 1718 CA THR A 111 3.846 -6.146 -17.145 1.00 0.01 C ATOM 1719 C THR A 111 4.385 -6.904 -15.926 1.00 0.01 C ATOM 1720 O THR A 111 3.748 -7.812 -15.433 1.00 0.01 O ATOM 1721 CB THR A 111 3.387 -7.155 -18.199 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.342 -8.202 -18.303 1.00 0.01 O ATOM 1723 CG2 THR A 111 3.245 -6.454 -19.551 1.00 0.01 C ATOM 0 H THR A 111 5.683 -5.802 -18.167 1.00 0.00 H new ATOM 0 HA THR A 111 3.010 -5.518 -16.837 1.00 0.01 H new ATOM 0 HB THR A 111 2.424 -7.572 -17.905 1.00 0.01 H new ATOM 0 HG1 THR A 111 4.046 -8.849 -18.977 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.918 -7.174 -20.301 1.00 0.01 H new ATOM 0 HG22 THR A 111 2.509 -5.654 -19.471 1.00 0.01 H new ATOM 0 HG23 THR A 111 4.207 -6.034 -19.846 1.00 0.01 H new ATOM 1731 N GLU A 112 5.567 -6.567 -15.458 1.00 0.01 N ATOM 1732 CA GLU A 112 6.165 -7.305 -14.291 1.00 0.01 C ATOM 1733 C GLU A 112 6.481 -6.360 -13.127 1.00 0.01 C ATOM 1734 O GLU A 112 6.563 -5.159 -13.287 1.00 0.01 O ATOM 1735 CB GLU A 112 7.464 -7.973 -14.749 1.00 0.85 C ATOM 1736 CG GLU A 112 7.151 -9.020 -15.820 1.00 1.61 C ATOM 1737 CD GLU A 112 6.375 -10.180 -15.189 1.00 2.51 C ATOM 1738 OE1 GLU A 112 6.494 -10.363 -13.988 1.00 3.07 O ATOM 1739 OE2 GLU A 112 5.673 -10.862 -15.915 1.00 3.21 O ATOM 0 H GLU A 112 6.144 -5.814 -15.832 1.00 0.01 H new ATOM 0 HA GLU A 112 5.442 -8.043 -13.944 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.149 -7.225 -15.147 1.00 0.85 H new ATOM 0 HB3 GLU A 112 7.962 -8.443 -13.901 1.00 0.85 H new ATOM 0 HG2 GLU A 112 6.566 -8.571 -16.623 1.00 1.61 H new ATOM 0 HG3 GLU A 112 8.075 -9.387 -16.266 1.00 1.61 H new ATOM 1746 N ASP A 113 6.686 -6.914 -11.960 1.00 0.01 N ATOM 1747 CA ASP A 113 7.032 -6.085 -10.765 1.00 0.01 C ATOM 1748 C ASP A 113 8.428 -5.492 -10.972 1.00 0.00 C ATOM 1749 O ASP A 113 9.241 -6.039 -11.691 1.00 0.01 O ATOM 1750 CB ASP A 113 7.046 -6.981 -9.521 1.00 0.01 C ATOM 1751 CG ASP A 113 7.641 -8.343 -9.879 1.00 0.01 C ATOM 1752 OD1 ASP A 113 8.572 -8.372 -10.668 1.00 0.00 O ATOM 1753 OD2 ASP A 113 7.157 -9.333 -9.360 1.00 0.00 O ATOM 0 H ASP A 113 6.628 -7.917 -11.782 1.00 0.01 H new ATOM 0 HA ASP A 113 6.300 -5.288 -10.634 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.632 -6.513 -8.730 1.00 0.01 H new ATOM 0 HB3 ASP A 113 6.033 -7.104 -9.137 1.00 0.01 H new ATOM 1758 N CYS A 114 8.722 -4.391 -10.315 1.00 0.01 N ATOM 1759 CA CYS A 114 10.081 -3.767 -10.432 1.00 0.01 C ATOM 1760 C CYS A 114 10.690 -3.619 -9.017 1.00 0.01 C ATOM 1761 O CYS A 114 10.201 -2.823 -8.238 1.00 0.01 O ATOM 1762 CB CYS A 114 9.934 -2.376 -11.044 1.00 0.01 C ATOM 1763 SG CYS A 114 11.547 -1.555 -11.076 1.00 0.01 S ATOM 0 H CYS A 114 8.075 -3.897 -9.700 1.00 0.01 H new ATOM 0 HA CYS A 114 10.723 -4.390 -11.055 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.533 -2.453 -12.055 1.00 0.01 H new ATOM 0 HB3 CYS A 114 9.225 -1.785 -10.464 1.00 0.01 H new ATOM 0 HG CYS A 114 12.119 -1.767 -12.224 1.00 0.01 H new ATOM 1769 N PRO A 115 11.747 -4.340 -8.667 1.00 0.01 N ATOM 1770 CA PRO A 115 12.351 -4.186 -7.311 1.00 0.01 C ATOM 1771 C PRO A 115 13.194 -2.906 -7.211 1.00 0.01 C ATOM 1772 O PRO A 115 13.272 -2.291 -6.166 1.00 0.01 O ATOM 1773 CB PRO A 115 13.226 -5.444 -7.198 1.00 0.01 C ATOM 1774 CG PRO A 115 13.457 -5.982 -8.624 1.00 0.01 C ATOM 1775 CD PRO A 115 12.402 -5.347 -9.555 1.00 0.01 C ATOM 0 HA PRO A 115 11.613 -4.094 -6.514 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.176 -5.207 -6.720 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.736 -6.196 -6.580 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.463 -5.736 -8.965 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.372 -7.069 -8.639 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.860 -4.881 -10.428 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.690 -6.085 -9.924 1.00 0.01 H new ATOM 1783 N SER A 116 13.834 -2.509 -8.283 1.00 0.01 N ATOM 1784 CA SER A 116 14.681 -1.274 -8.246 1.00 0.02 C ATOM 1785 C SER A 116 14.489 -0.508 -9.553 1.00 0.01 C ATOM 1786 O SER A 116 14.929 -0.924 -10.608 1.00 0.00 O ATOM 1787 CB SER A 116 16.150 -1.670 -8.088 1.00 0.01 C ATOM 1788 OG SER A 116 16.975 -0.590 -8.508 1.00 0.01 O ATOM 0 H SER A 116 13.807 -2.987 -9.184 1.00 0.01 H new ATOM 0 HA SER A 116 14.390 -0.645 -7.405 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.361 -1.921 -7.049 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.365 -2.559 -8.681 1.00 0.01 H new ATOM 0 HG SER A 116 17.905 -0.773 -8.260 1.00 0.01 H new ATOM 1794 N ILE A 117 13.798 0.593 -9.484 1.00 0.01 N ATOM 1795 CA ILE A 117 13.518 1.398 -10.704 1.00 0.01 C ATOM 1796 C ILE A 117 14.806 1.959 -11.304 1.00 0.01 C ATOM 1797 O ILE A 117 14.950 2.015 -12.509 1.00 0.00 O ATOM 1798 CB ILE A 117 12.583 2.544 -10.326 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.194 1.974 -10.034 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.488 3.552 -11.475 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.334 3.044 -9.371 1.00 1.83 C ATOM 0 H ILE A 117 13.410 0.975 -8.622 1.00 0.01 H new ATOM 0 HA ILE A 117 13.053 0.757 -11.453 1.00 0.01 H new ATOM 0 HB ILE A 117 12.974 3.052 -9.444 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.726 1.638 -10.959 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.276 1.103 -9.383 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.818 4.364 -11.192 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.478 3.956 -11.688 1.00 0.93 H new ATOM 0 HG23 ILE A 117 12.100 3.055 -12.364 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.344 2.638 -9.163 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.801 3.359 -8.438 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.242 3.901 -10.038 1.00 1.83 H new ATOM 1813 N MET A 118 15.723 2.405 -10.491 1.00 0.02 N ATOM 1814 CA MET A 118 16.966 2.989 -11.063 1.00 0.01 C ATOM 1815 C MET A 118 17.762 1.900 -11.774 1.00 0.01 C ATOM 1816 O MET A 118 18.346 2.128 -12.808 1.00 0.02 O ATOM 1817 CB MET A 118 17.817 3.630 -9.957 1.00 0.24 C ATOM 1818 CG MET A 118 18.951 4.455 -10.574 1.00 0.63 C ATOM 1819 SD MET A 118 20.260 3.350 -11.161 1.00 1.20 S ATOM 1820 CE MET A 118 21.647 4.486 -10.910 1.00 1.34 C ATOM 0 H MET A 118 15.668 2.391 -9.473 1.00 0.02 H new ATOM 0 HA MET A 118 16.696 3.764 -11.780 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.193 4.267 -9.331 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.231 2.855 -9.311 1.00 0.24 H new ATOM 0 HG2 MET A 118 18.570 5.054 -11.401 1.00 0.63 H new ATOM 0 HG3 MET A 118 19.352 5.149 -9.836 1.00 0.63 H new ATOM 0 HE1 MET A 118 22.575 4.000 -11.213 1.00 1.34 H new ATOM 0 HE2 MET A 118 21.495 5.384 -11.509 1.00 1.34 H new ATOM 0 HE3 MET A 118 21.708 4.759 -9.856 1.00 1.34 H new ATOM 1830 N GLU A 119 17.790 0.714 -11.251 1.00 0.01 N ATOM 1831 CA GLU A 119 18.559 -0.355 -11.937 1.00 0.02 C ATOM 1832 C GLU A 119 17.845 -0.751 -13.230 1.00 0.02 C ATOM 1833 O GLU A 119 18.470 -1.056 -14.226 1.00 0.01 O ATOM 1834 CB GLU A 119 18.671 -1.572 -11.013 1.00 0.30 C ATOM 1835 CG GLU A 119 19.535 -2.656 -11.674 1.00 0.99 C ATOM 1836 CD GLU A 119 18.700 -3.436 -12.693 1.00 1.69 C ATOM 1837 OE1 GLU A 119 17.632 -3.895 -12.327 1.00 2.07 O ATOM 1838 OE2 GLU A 119 19.144 -3.562 -13.822 1.00 2.11 O ATOM 0 H GLU A 119 17.321 0.438 -10.389 1.00 0.01 H new ATOM 0 HA GLU A 119 19.558 0.010 -12.177 1.00 0.02 H new ATOM 0 HB2 GLU A 119 19.110 -1.276 -10.060 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.679 -1.968 -10.797 1.00 0.30 H new ATOM 0 HG2 GLU A 119 20.393 -2.199 -12.167 1.00 0.99 H new ATOM 0 HG3 GLU A 119 19.927 -3.334 -10.916 1.00 0.99 H new ATOM 1845 N GLN A 120 16.540 -0.805 -13.206 1.00 0.00 N ATOM 1846 CA GLN A 120 15.787 -1.248 -14.415 1.00 0.01 C ATOM 1847 C GLN A 120 15.626 -0.129 -15.447 1.00 0.01 C ATOM 1848 O GLN A 120 15.808 -0.345 -16.628 1.00 0.01 O ATOM 1849 CB GLN A 120 14.399 -1.726 -13.984 1.00 0.52 C ATOM 1850 CG GLN A 120 13.724 -2.453 -15.152 1.00 1.07 C ATOM 1851 CD GLN A 120 12.333 -2.927 -14.728 1.00 1.08 C ATOM 1852 OE1 GLN A 120 11.842 -2.553 -13.683 1.00 0.98 O ATOM 1853 NE2 GLN A 120 11.671 -3.744 -15.502 1.00 2.08 N ATOM 0 H GLN A 120 15.963 -0.561 -12.401 1.00 0.00 H new ATOM 0 HA GLN A 120 16.356 -2.051 -14.884 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.482 -2.393 -13.126 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.791 -0.877 -13.670 1.00 0.52 H new ATOM 0 HG2 GLN A 120 13.646 -1.787 -16.011 1.00 1.07 H new ATOM 0 HG3 GLN A 120 14.330 -3.304 -15.463 1.00 1.07 H new ATOM 0 HE21 GLN A 120 12.082 -4.060 -16.381 1.00 2.08 H new ATOM 0 HE22 GLN A 120 10.743 -4.067 -15.228 1.00 2.08 H new ATOM 1862 N PHE A 121 15.208 1.041 -15.018 1.00 0.02 N ATOM 1863 CA PHE A 121 14.942 2.155 -15.988 1.00 0.01 C ATOM 1864 C PHE A 121 15.937 3.308 -15.850 1.00 0.01 C ATOM 1865 O PHE A 121 15.880 4.268 -16.592 1.00 0.01 O ATOM 1866 CB PHE A 121 13.525 2.674 -15.744 1.00 0.01 C ATOM 1867 CG PHE A 121 12.540 1.551 -15.979 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.251 1.140 -17.286 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.925 0.914 -14.892 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.344 0.096 -17.509 1.00 0.01 C ATOM 1871 CE2 PHE A 121 11.018 -0.130 -15.115 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.729 -0.540 -16.423 1.00 0.01 C ATOM 0 H PHE A 121 15.040 1.272 -14.039 1.00 0.02 H new ATOM 0 HA PHE A 121 15.054 1.759 -16.997 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.432 3.049 -14.725 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.310 3.509 -16.411 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.728 1.628 -18.123 1.00 0.01 H new ATOM 0 HD2 PHE A 121 12.150 1.228 -13.884 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.119 -0.218 -18.517 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.541 -0.619 -14.278 1.00 0.01 H new ATOM 0 HZ PHE A 121 10.032 -1.347 -16.594 1.00 0.01 H new ATOM 1882 N HIS A 122 16.846 3.236 -14.922 1.00 0.01 N ATOM 1883 CA HIS A 122 17.829 4.342 -14.761 1.00 0.01 C ATOM 1884 C HIS A 122 17.099 5.643 -14.406 1.00 0.01 C ATOM 1885 O HIS A 122 17.513 6.718 -14.795 1.00 0.02 O ATOM 1886 CB HIS A 122 18.620 4.511 -16.066 1.00 0.01 C ATOM 1887 CG HIS A 122 18.848 3.162 -16.691 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.804 1.988 -15.955 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.126 2.786 -17.982 1.00 0.01 C ATOM 1890 CE1 HIS A 122 19.049 0.971 -16.803 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.253 1.403 -18.050 1.00 0.01 N ATOM 0 H HIS A 122 16.952 2.461 -14.268 1.00 0.01 H new ATOM 0 HA HIS A 122 18.520 4.102 -13.953 1.00 0.01 H new ATOM 0 HB2 HIS A 122 18.073 5.155 -16.755 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.575 4.997 -15.865 1.00 0.01 H new ATOM 0 HD1 HIS A 122 18.620 1.909 -14.955 1.00 0.01 H new ATOM 0 HD2 HIS A 122 19.230 3.462 -18.818 1.00 0.01 H new ATOM 0 HE1 HIS A 122 19.077 -0.068 -16.510 1.00 0.00 H new ATOM 1899 N LEU A 123 16.015 5.551 -13.662 1.00 0.01 N ATOM 1900 CA LEU A 123 15.248 6.785 -13.263 1.00 0.01 C ATOM 1901 C LEU A 123 15.343 6.965 -11.747 1.00 0.02 C ATOM 1902 O LEU A 123 15.215 6.020 -10.993 1.00 0.01 O ATOM 1903 CB LEU A 123 13.779 6.637 -13.672 1.00 0.01 C ATOM 1904 CG LEU A 123 13.691 6.202 -15.137 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.224 5.968 -15.508 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.282 7.292 -16.040 1.00 0.01 C ATOM 0 H LEU A 123 15.628 4.674 -13.313 1.00 0.01 H new ATOM 0 HA LEU A 123 15.671 7.656 -13.764 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.287 5.903 -13.035 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.256 7.583 -13.532 1.00 0.01 H new ATOM 0 HG LEU A 123 14.255 5.280 -15.275 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.157 5.658 -16.551 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.807 5.188 -14.870 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.661 6.891 -15.367 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.217 6.977 -17.081 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.723 8.218 -15.906 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.327 7.457 -15.776 1.00 0.01 H new ATOM 1918 N ARG A 124 15.589 8.167 -11.289 1.00 0.01 N ATOM 1919 CA ARG A 124 15.717 8.404 -9.818 1.00 0.00 C ATOM 1920 C ARG A 124 14.363 8.773 -9.193 1.00 0.01 C ATOM 1921 O ARG A 124 14.170 8.647 -8.001 1.00 0.01 O ATOM 1922 CB ARG A 124 16.705 9.548 -9.574 1.00 1.67 C ATOM 1923 CG ARG A 124 16.368 10.724 -10.493 1.00 1.98 C ATOM 1924 CD ARG A 124 17.157 11.959 -10.055 1.00 2.92 C ATOM 1925 NE ARG A 124 17.139 12.973 -11.148 1.00 3.54 N ATOM 1926 CZ ARG A 124 17.490 14.205 -10.902 1.00 4.57 C ATOM 1927 NH1 ARG A 124 17.847 14.553 -9.698 1.00 5.25 N ATOM 1928 NH2 ARG A 124 17.482 15.090 -11.859 1.00 5.32 N ATOM 0 H ARG A 124 15.707 8.996 -11.871 1.00 0.01 H new ATOM 0 HA ARG A 124 16.074 7.484 -9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.661 9.864 -8.532 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.724 9.208 -9.761 1.00 1.67 H new ATOM 0 HG2 ARG A 124 16.610 10.473 -11.526 1.00 1.98 H new ATOM 0 HG3 ARG A 124 15.299 10.932 -10.458 1.00 1.98 H new ATOM 0 HD2 ARG A 124 16.722 12.379 -9.148 1.00 2.92 H new ATOM 0 HD3 ARG A 124 18.184 11.682 -9.818 1.00 2.92 H new ATOM 0 HE ARG A 124 16.852 12.703 -12.089 1.00 3.54 H new ATOM 0 HH11 ARG A 124 17.852 13.862 -8.948 1.00 5.25 H new ATOM 0 HH12 ARG A 124 18.121 15.516 -9.506 1.00 5.25 H new ATOM 0 HH21 ARG A 124 17.201 14.819 -12.801 1.00 5.32 H new ATOM 0 HH22 ARG A 124 17.757 16.053 -11.665 1.00 5.32 H new ATOM 1942 N GLU A 125 13.427 9.248 -9.976 1.00 0.01 N ATOM 1943 CA GLU A 125 12.100 9.646 -9.405 1.00 0.01 C ATOM 1944 C GLU A 125 10.992 9.406 -10.433 1.00 0.01 C ATOM 1945 O GLU A 125 11.251 9.250 -11.612 1.00 0.01 O ATOM 1946 CB GLU A 125 12.127 11.138 -9.061 1.00 0.01 C ATOM 1947 CG GLU A 125 13.151 11.391 -7.954 1.00 0.01 C ATOM 1948 CD GLU A 125 12.953 12.800 -7.392 1.00 0.02 C ATOM 1949 OE1 GLU A 125 12.795 13.714 -8.182 1.00 0.01 O ATOM 1950 OE2 GLU A 125 12.962 12.940 -6.179 1.00 0.02 O ATOM 0 H GLU A 125 13.522 9.378 -10.983 1.00 0.01 H new ATOM 0 HA GLU A 125 11.907 9.051 -8.512 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.382 11.721 -9.946 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.139 11.465 -8.738 1.00 0.01 H new ATOM 0 HG2 GLU A 125 13.036 10.652 -7.161 1.00 0.01 H new ATOM 0 HG3 GLU A 125 14.162 11.283 -8.347 1.00 0.01 H new ATOM 1957 N ILE A 126 9.753 9.394 -9.996 1.00 0.01 N ATOM 1958 CA ILE A 126 8.603 9.193 -10.935 1.00 0.01 C ATOM 1959 C ILE A 126 7.603 10.325 -10.690 1.00 0.01 C ATOM 1960 O ILE A 126 7.184 10.542 -9.569 1.00 0.01 O ATOM 1961 CB ILE A 126 7.909 7.850 -10.631 1.00 1.33 C ATOM 1962 CG1 ILE A 126 8.951 6.736 -10.416 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.987 7.474 -11.793 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.667 6.363 -11.726 1.00 1.70 C ATOM 0 H ILE A 126 9.488 9.516 -9.019 1.00 0.01 H new ATOM 0 HA ILE A 126 8.955 9.190 -11.967 1.00 0.01 H new ATOM 0 HB ILE A 126 7.323 7.959 -9.718 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.686 7.063 -9.680 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.460 5.853 -10.006 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.497 6.525 -11.576 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.233 8.250 -11.925 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.573 7.380 -12.707 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.394 5.574 -11.532 1.00 1.70 H new ATOM 0 HD12 ILE A 126 8.935 6.011 -12.453 1.00 1.70 H new ATOM 0 HD13 ILE A 126 10.180 7.239 -12.122 1.00 1.70 H new ATOM 1976 N HIS A 127 7.245 11.080 -11.708 1.00 0.01 N ATOM 1977 CA HIS A 127 6.305 12.233 -11.491 1.00 0.01 C ATOM 1978 C HIS A 127 4.914 11.973 -12.074 1.00 0.01 C ATOM 1979 O HIS A 127 3.965 12.662 -11.756 1.00 0.01 O ATOM 1980 CB HIS A 127 6.888 13.498 -12.126 1.00 0.02 C ATOM 1981 CG HIS A 127 8.351 13.593 -11.796 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.303 12.791 -12.406 1.00 0.01 N ATOM 1983 CD2 HIS A 127 9.038 14.388 -10.915 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.501 13.119 -11.887 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.395 14.089 -10.974 1.00 0.02 N ATOM 0 H HIS A 127 7.559 10.950 -12.670 1.00 0.01 H new ATOM 0 HA HIS A 127 6.194 12.360 -10.414 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.749 13.473 -13.207 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.363 14.379 -11.757 1.00 0.02 H new ATOM 0 HD1 HIS A 127 9.128 12.082 -13.118 1.00 0.01 H new ATOM 0 HD2 HIS A 127 8.593 15.133 -10.273 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.433 12.655 -12.173 1.00 0.01 H new ATOM 1993 N SER A 128 4.766 10.974 -12.901 1.00 0.01 N ATOM 1994 CA SER A 128 3.419 10.667 -13.461 1.00 0.01 C ATOM 1995 C SER A 128 3.416 9.228 -13.978 1.00 0.01 C ATOM 1996 O SER A 128 4.439 8.694 -14.364 1.00 0.01 O ATOM 1997 CB SER A 128 3.113 11.625 -14.612 1.00 0.01 C ATOM 1998 OG SER A 128 1.983 11.151 -15.325 1.00 0.01 O ATOM 0 H SER A 128 5.517 10.359 -13.212 1.00 0.01 H new ATOM 0 HA SER A 128 2.660 10.784 -12.687 1.00 0.01 H new ATOM 0 HB2 SER A 128 2.921 12.626 -14.226 1.00 0.01 H new ATOM 0 HB3 SER A 128 3.973 11.699 -15.278 1.00 0.01 H new ATOM 0 HG SER A 128 2.279 10.674 -16.128 1.00 0.01 H new ATOM 2004 N CYS A 129 2.276 8.596 -13.988 1.00 0.01 N ATOM 2005 CA CYS A 129 2.203 7.187 -14.476 1.00 0.01 C ATOM 2006 C CYS A 129 0.735 6.801 -14.680 1.00 0.00 C ATOM 2007 O CYS A 129 -0.132 7.232 -13.939 1.00 0.01 O ATOM 2008 CB CYS A 129 2.839 6.251 -13.445 1.00 0.69 C ATOM 2009 SG CYS A 129 2.442 4.533 -13.855 1.00 1.22 S ATOM 0 H CYS A 129 1.389 8.994 -13.679 1.00 0.01 H new ATOM 0 HA CYS A 129 2.741 7.100 -15.420 1.00 0.01 H new ATOM 0 HB2 CYS A 129 3.920 6.391 -13.430 1.00 0.69 H new ATOM 0 HB3 CYS A 129 2.473 6.491 -12.447 1.00 0.69 H new ATOM 0 HG CYS A 129 2.492 4.372 -15.144 1.00 1.22 H new ATOM 2015 N LYS A 130 0.445 5.994 -15.675 1.00 0.01 N ATOM 2016 CA LYS A 130 -0.975 5.583 -15.922 1.00 0.01 C ATOM 2017 C LYS A 130 -1.072 4.057 -15.905 1.00 0.01 C ATOM 2018 O LYS A 130 -0.673 3.370 -16.822 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.432 6.118 -17.287 1.00 0.55 C ATOM 2020 CG LYS A 130 -2.962 6.102 -17.363 1.00 0.80 C ATOM 2021 CD LYS A 130 -3.406 6.244 -18.823 1.00 0.29 C ATOM 2022 CE LYS A 130 -2.767 7.492 -19.437 1.00 0.33 C ATOM 2023 NZ LYS A 130 -2.858 8.623 -18.473 1.00 1.41 N ATOM 0 H LYS A 130 1.128 5.604 -16.324 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.616 5.994 -15.142 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -1.062 7.133 -17.433 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -1.012 5.508 -18.087 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -3.347 5.172 -16.944 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -3.374 6.916 -16.766 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -3.116 5.359 -19.389 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -4.492 6.315 -18.878 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -1.724 7.295 -19.685 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -3.272 7.752 -20.367 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -2.470 9.483 -18.910 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -3.854 8.783 -18.218 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -2.314 8.394 -17.617 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.626 3.540 -14.850 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.814 2.071 -14.690 1.00 0.01 C ATOM 2039 C VAL A 131 -3.309 1.792 -14.782 1.00 0.01 C ATOM 2040 O VAL A 131 -4.095 2.482 -14.162 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.286 1.627 -13.326 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -2.041 2.364 -12.218 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.490 0.119 -13.168 1.00 0.01 C ATOM 0 H VAL A 131 -1.969 4.092 -14.064 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.271 1.525 -15.462 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.224 1.860 -13.255 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.663 2.046 -11.246 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -1.895 3.438 -12.330 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.104 2.134 -12.287 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.114 -0.199 -12.196 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.552 -0.114 -13.240 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -0.949 -0.406 -13.956 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.319 -1.470 -7.411 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.832 -1.434 -7.638 1.00 0.01 C ATOM 2107 C TRP A 136 -0.188 -0.765 -6.420 1.00 0.01 C ATOM 2108 O TRP A 136 -0.755 0.146 -5.852 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.515 -0.637 -8.911 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.650 -1.528 -10.103 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.817 -2.013 -10.574 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.395 -2.052 -10.971 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.558 -2.800 -11.683 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.207 -2.854 -11.967 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.796 -1.909 -10.994 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.550 -3.494 -12.949 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.562 -2.552 -11.981 1.00 0.01 C ATOM 2118 CH2 TRP A 136 1.940 -3.343 -12.956 1.00 0.01 C ATOM 0 HA TRP A 136 -0.441 -2.443 -7.764 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.193 0.212 -9.000 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.496 -0.233 -8.858 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.793 -1.819 -10.155 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -2.276 -3.281 -12.224 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.285 -1.301 -10.248 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.065 -4.102 -13.699 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.636 -2.436 -11.988 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.534 -3.835 -13.712 1.00 0.01 H new ATOM 2129 N ILE A 137 0.997 -1.179 -6.011 1.00 0.01 N ATOM 2130 CA ILE A 137 1.652 -0.524 -4.830 1.00 0.00 C ATOM 2131 C ILE A 137 2.980 0.103 -5.252 1.00 0.01 C ATOM 2132 O ILE A 137 3.790 -0.517 -5.909 1.00 0.01 O ATOM 2133 CB ILE A 137 1.966 -1.570 -3.751 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.740 -2.422 -3.439 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.417 -0.859 -2.474 1.00 1.37 C ATOM 2136 CD1 ILE A 137 1.184 -3.621 -2.591 1.00 1.69 C ATOM 0 H ILE A 137 1.531 -1.934 -6.441 1.00 0.01 H new ATOM 0 HA ILE A 137 0.970 0.233 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 137 2.757 -2.221 -4.124 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.004 -1.833 -2.902 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.271 -2.763 -4.362 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.641 -1.599 -1.705 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.310 -0.270 -2.682 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.622 -0.201 -2.124 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.319 -4.242 -2.358 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.914 -4.209 -3.147 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.635 -3.265 -1.665 1.00 1.69 H new ATOM 2148 N PHE A 138 3.221 1.315 -4.832 1.00 0.01 N ATOM 2149 CA PHE A 138 4.511 2.010 -5.142 1.00 0.01 C ATOM 2150 C PHE A 138 5.261 2.099 -3.807 1.00 0.01 C ATOM 2151 O PHE A 138 4.652 2.330 -2.785 1.00 0.00 O ATOM 2152 CB PHE A 138 4.219 3.423 -5.692 1.00 1.11 C ATOM 2153 CG PHE A 138 4.089 3.426 -7.213 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.658 2.287 -7.917 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.408 4.590 -7.923 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.554 2.323 -9.314 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.305 4.621 -9.319 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.878 3.487 -10.013 1.00 2.49 C ATOM 0 H PHE A 138 2.567 1.866 -4.276 1.00 0.01 H new ATOM 0 HA PHE A 138 5.096 1.480 -5.893 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.299 3.802 -5.248 1.00 1.11 H new ATOM 0 HB3 PHE A 138 5.019 4.101 -5.395 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.407 1.384 -7.380 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.736 5.470 -7.390 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.222 1.447 -9.852 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.556 5.522 -9.859 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.798 3.511 -11.090 1.00 2.49 H new ATOM 2168 N TYR A 139 6.565 1.920 -3.796 1.00 0.01 N ATOM 2169 CA TYR A 139 7.330 1.994 -2.501 1.00 0.01 C ATOM 2170 C TYR A 139 8.430 3.055 -2.602 1.00 0.01 C ATOM 2171 O TYR A 139 9.026 3.260 -3.645 1.00 0.01 O ATOM 2172 CB TYR A 139 7.968 0.636 -2.207 1.00 0.01 C ATOM 2173 CG TYR A 139 6.927 -0.453 -2.326 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.163 -0.820 -1.213 1.00 0.01 C ATOM 2175 CD2 TYR A 139 6.738 -1.103 -3.549 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.208 -1.837 -1.323 1.00 0.02 C ATOM 2177 CE2 TYR A 139 5.783 -2.123 -3.660 1.00 0.01 C ATOM 2178 CZ TYR A 139 5.019 -2.489 -2.547 1.00 0.02 C ATOM 2179 OH TYR A 139 4.082 -3.496 -2.651 1.00 0.00 O ATOM 0 H TYR A 139 7.131 1.727 -4.622 1.00 0.01 H new ATOM 0 HA TYR A 139 6.643 2.262 -1.698 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.785 0.449 -2.904 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.397 0.634 -1.205 1.00 0.01 H new ATOM 0 HD1 TYR A 139 6.310 -0.318 -0.268 1.00 0.01 H new ATOM 0 HD2 TYR A 139 7.328 -0.819 -4.408 1.00 0.01 H new ATOM 0 HE1 TYR A 139 4.617 -2.119 -0.464 1.00 0.02 H new ATOM 0 HE2 TYR A 139 5.637 -2.626 -4.604 1.00 0.01 H new ATOM 0 HH TYR A 139 3.600 -3.583 -1.802 1.00 0.00 H new ATOM 2189 N GLU A 140 8.666 3.760 -1.521 1.00 0.01 N ATOM 2190 CA GLU A 140 9.673 4.858 -1.522 1.00 0.02 C ATOM 2191 C GLU A 140 11.104 4.313 -1.557 1.00 0.01 C ATOM 2192 O GLU A 140 11.979 4.950 -2.108 1.00 0.01 O ATOM 2193 CB GLU A 140 9.482 5.672 -0.240 1.00 0.01 C ATOM 2194 CG GLU A 140 10.312 6.957 -0.317 1.00 0.02 C ATOM 2195 CD GLU A 140 9.894 7.896 0.815 1.00 0.02 C ATOM 2196 OE1 GLU A 140 8.701 8.037 1.029 1.00 0.01 O ATOM 2197 OE2 GLU A 140 10.771 8.455 1.451 1.00 0.02 O ATOM 0 H GLU A 140 8.195 3.616 -0.628 1.00 0.01 H new ATOM 0 HA GLU A 140 9.527 5.470 -2.412 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.428 5.916 -0.106 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.786 5.083 0.625 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.374 6.723 -0.238 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.163 7.443 -1.282 1.00 0.02 H new ATOM 2204 N LEU A 141 11.374 3.164 -0.973 1.00 0.01 N ATOM 2205 CA LEU A 141 12.777 2.624 -0.980 1.00 0.02 C ATOM 2206 C LEU A 141 12.798 1.304 -1.777 1.00 0.01 C ATOM 2207 O LEU A 141 11.789 0.628 -1.882 1.00 0.01 O ATOM 2208 CB LEU A 141 13.198 2.358 0.481 1.00 0.57 C ATOM 2209 CG LEU A 141 13.730 3.655 1.130 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.608 3.555 2.653 1.00 1.48 C ATOM 2211 CD2 LEU A 141 15.208 3.869 0.769 1.00 1.24 C ATOM 0 H LEU A 141 10.688 2.580 -0.495 1.00 0.01 H new ATOM 0 HA LEU A 141 13.464 3.334 -1.441 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.347 1.981 1.049 1.00 0.57 H new ATOM 0 HB3 LEU A 141 13.967 1.586 0.510 1.00 0.57 H new ATOM 0 HG LEU A 141 13.141 4.493 0.758 1.00 0.81 H new ATOM 0 HD11 LEU A 141 13.984 4.471 3.109 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.562 3.417 2.926 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.191 2.706 3.010 1.00 1.48 H new ATOM 0 HD21 LEU A 141 15.567 4.787 1.234 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.796 3.025 1.130 1.00 1.24 H new ATOM 0 HD23 LEU A 141 15.311 3.947 -0.313 1.00 1.24 H new ATOM 2223 N PRO A 142 13.935 0.928 -2.337 1.00 0.01 N ATOM 2224 CA PRO A 142 14.023 -0.333 -3.129 1.00 0.01 C ATOM 2225 C PRO A 142 13.587 -1.567 -2.333 1.00 0.01 C ATOM 2226 O PRO A 142 13.447 -1.544 -1.128 1.00 0.01 O ATOM 2227 CB PRO A 142 15.521 -0.402 -3.502 1.00 0.01 C ATOM 2228 CG PRO A 142 16.253 0.739 -2.773 1.00 0.02 C ATOM 2229 CD PRO A 142 15.200 1.717 -2.232 1.00 0.01 C ATOM 0 HA PRO A 142 13.356 -0.328 -3.991 1.00 0.01 H new ATOM 0 HB2 PRO A 142 15.940 -1.366 -3.215 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.649 -0.307 -4.580 1.00 0.01 H new ATOM 0 HG2 PRO A 142 16.858 0.343 -1.958 1.00 0.02 H new ATOM 0 HG3 PRO A 142 16.933 1.251 -3.454 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.410 2.010 -1.203 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.157 2.632 -2.822 1.00 0.01 H new ATOM 2237 N ASN A 143 13.400 -2.644 -3.040 1.00 0.01 N ATOM 2238 CA ASN A 143 13.000 -3.930 -2.410 1.00 0.01 C ATOM 2239 C ASN A 143 11.674 -3.797 -1.655 1.00 0.01 C ATOM 2240 O ASN A 143 11.421 -4.485 -0.685 1.00 0.01 O ATOM 2241 CB ASN A 143 14.090 -4.379 -1.437 1.00 0.23 C ATOM 2242 CG ASN A 143 15.450 -4.329 -2.137 1.00 0.11 C ATOM 2243 OD1 ASN A 143 15.531 -4.445 -3.344 1.00 0.75 O ATOM 2244 ND2 ASN A 143 16.527 -4.156 -1.426 1.00 0.56 N ATOM 0 H ASN A 143 13.511 -2.687 -4.053 1.00 0.01 H new ATOM 0 HA ASN A 143 12.869 -4.668 -3.202 1.00 0.01 H new ATOM 0 HB2 ASN A 143 14.097 -3.733 -0.559 1.00 0.23 H new ATOM 0 HB3 ASN A 143 13.886 -5.391 -1.087 1.00 0.23 H new ATOM 0 HD21 ASN A 143 17.439 -4.118 -1.882 1.00 0.56 H new ATOM 0 HD22 ASN A 143 16.459 -4.059 -0.413 1.00 0.56 H new ATOM 2251 N TYR A 144 10.808 -2.944 -2.130 1.00 0.01 N ATOM 2252 CA TYR A 144 9.468 -2.782 -1.497 1.00 0.02 C ATOM 2253 C TYR A 144 9.592 -2.388 -0.018 1.00 0.01 C ATOM 2254 O TYR A 144 9.001 -3.008 0.844 1.00 0.01 O ATOM 2255 CB TYR A 144 8.692 -4.106 -1.628 1.00 0.01 C ATOM 2256 CG TYR A 144 9.113 -4.801 -2.908 1.00 0.01 C ATOM 2257 CD1 TYR A 144 8.970 -4.142 -4.134 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.658 -6.093 -2.866 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.369 -4.773 -5.319 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.056 -6.723 -4.051 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.912 -6.063 -5.276 1.00 0.01 C ATOM 2262 OH TYR A 144 10.308 -6.684 -6.442 1.00 0.01 O ATOM 0 H TYR A 144 10.974 -2.346 -2.939 1.00 0.01 H new ATOM 0 HA TYR A 144 8.933 -1.981 -2.007 1.00 0.02 H new ATOM 0 HB2 TYR A 144 8.892 -4.746 -0.769 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.619 -3.914 -1.639 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.552 -3.147 -4.167 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.770 -6.601 -1.920 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.258 -4.265 -6.266 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.474 -7.718 -4.020 1.00 0.01 H new ATOM 0 HH TYR A 144 10.663 -7.573 -6.235 1.00 0.01 H new ATOM 2272 N ARG A 145 10.353 -1.358 0.275 1.00 0.02 N ATOM 2273 CA ARG A 145 10.514 -0.909 1.700 1.00 0.01 C ATOM 2274 C ARG A 145 10.198 0.585 1.820 1.00 0.01 C ATOM 2275 O ARG A 145 10.119 1.295 0.836 1.00 0.01 O ATOM 2276 CB ARG A 145 11.960 -1.149 2.151 1.00 0.01 C ATOM 2277 CG ARG A 145 12.205 -2.654 2.377 1.00 0.02 C ATOM 2278 CD ARG A 145 11.732 -3.077 3.779 1.00 0.01 C ATOM 2279 NE ARG A 145 12.352 -2.198 4.811 1.00 0.01 N ATOM 2280 CZ ARG A 145 11.857 -2.159 6.019 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.824 -2.891 6.323 1.00 0.02 N ATOM 2282 NH2 ARG A 145 12.397 -1.385 6.919 1.00 0.01 N ATOM 0 H ARG A 145 10.870 -0.808 -0.411 1.00 0.02 H new ATOM 0 HA ARG A 145 9.827 -1.476 2.328 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.651 -0.770 1.398 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.158 -0.599 3.071 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.675 -3.232 1.619 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.266 -2.876 2.263 1.00 0.02 H new ATOM 0 HD2 ARG A 145 10.646 -3.014 3.840 1.00 0.01 H new ATOM 0 HD3 ARG A 145 12.002 -4.117 3.965 1.00 0.01 H new ATOM 0 HE ARG A 145 13.163 -1.627 4.574 1.00 0.01 H new ATOM 0 HH11 ARG A 145 10.401 -3.495 5.618 1.00 0.02 H new ATOM 0 HH12 ARG A 145 10.437 -2.861 7.266 1.00 0.02 H new ATOM 0 HH21 ARG A 145 13.205 -0.811 6.679 1.00 0.01 H new ATOM 0 HH22 ARG A 145 12.011 -1.354 7.863 1.00 0.01 H new ATOM 2296 N GLY A 146 10.007 1.066 3.024 1.00 0.01 N ATOM 2297 CA GLY A 146 9.693 2.515 3.227 1.00 0.02 C ATOM 2298 C GLY A 146 8.181 2.747 3.135 1.00 0.01 C ATOM 2299 O GLY A 146 7.393 1.823 3.196 1.00 0.02 O ATOM 0 H GLY A 146 10.055 0.514 3.880 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.060 2.841 4.200 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.207 3.115 2.476 1.00 0.02 H new ATOM 2303 N ARG A 147 7.774 3.980 2.990 1.00 0.01 N ATOM 2304 CA ARG A 147 6.319 4.286 2.889 1.00 0.01 C ATOM 2305 C ARG A 147 5.795 3.751 1.561 1.00 0.01 C ATOM 2306 O ARG A 147 6.467 3.786 0.546 1.00 0.01 O ATOM 2307 CB ARG A 147 6.111 5.803 2.947 1.00 0.01 C ATOM 2308 CG ARG A 147 4.633 6.124 2.695 1.00 0.01 C ATOM 2309 CD ARG A 147 4.335 7.562 3.129 1.00 0.01 C ATOM 2310 NE ARG A 147 2.952 7.926 2.708 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.368 8.973 3.222 1.00 0.02 C ATOM 2312 NH1 ARG A 147 2.992 9.698 4.108 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.160 9.293 2.851 1.00 0.02 N ATOM 0 H ARG A 147 8.390 4.791 2.937 1.00 0.01 H new ATOM 0 HA ARG A 147 5.783 3.818 3.715 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.417 6.186 3.920 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.734 6.295 2.200 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.399 5.997 1.638 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.001 5.429 3.247 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.435 7.656 4.210 1.00 0.01 H new ATOM 0 HD3 ARG A 147 5.056 8.246 2.681 1.00 0.01 H new ATOM 0 HE ARG A 147 2.462 7.356 2.018 1.00 0.02 H new ATOM 0 HH11 ARG A 147 3.937 9.446 4.399 1.00 0.01 H new ATOM 0 HH12 ARG A 147 2.536 10.517 4.510 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.672 8.725 2.159 1.00 0.02 H new ATOM 0 HH22 ARG A 147 0.703 10.112 3.253 1.00 0.02 H new ATOM 2327 N GLN A 148 4.599 3.214 1.580 1.00 0.01 N ATOM 2328 CA GLN A 148 4.001 2.616 0.349 1.00 0.01 C ATOM 2329 C GLN A 148 2.786 3.447 -0.084 1.00 0.01 C ATOM 2330 O GLN A 148 2.089 4.015 0.731 1.00 0.01 O ATOM 2331 CB GLN A 148 3.547 1.182 0.696 1.00 0.00 C ATOM 2332 CG GLN A 148 4.452 0.598 1.788 1.00 0.02 C ATOM 2333 CD GLN A 148 4.284 -0.922 1.837 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.212 -1.435 1.583 1.00 0.02 O ATOM 2335 NE2 GLN A 148 5.308 -1.669 2.154 1.00 0.01 N ATOM 0 H GLN A 148 4.006 3.165 2.408 1.00 0.01 H new ATOM 0 HA GLN A 148 4.727 2.602 -0.464 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.511 1.191 1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.585 0.554 -0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.493 0.852 1.586 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.199 1.033 2.755 1.00 0.02 H new ATOM 0 HE21 GLN A 148 6.207 -1.238 2.367 1.00 0.01 H new ATOM 0 HE22 GLN A 148 5.208 -2.684 2.188 1.00 0.01 H new ATOM 2344 N TYR A 149 2.527 3.502 -1.366 1.00 0.01 N ATOM 2345 CA TYR A 149 1.349 4.271 -1.887 1.00 0.01 C ATOM 2346 C TYR A 149 0.483 3.333 -2.730 1.00 0.01 C ATOM 2347 O TYR A 149 0.991 2.573 -3.529 1.00 0.01 O ATOM 2348 CB TYR A 149 1.835 5.443 -2.746 1.00 0.01 C ATOM 2349 CG TYR A 149 3.004 6.114 -2.069 1.00 0.01 C ATOM 2350 CD1 TYR A 149 2.782 7.100 -1.101 1.00 0.01 C ATOM 2351 CD2 TYR A 149 4.314 5.750 -2.410 1.00 0.01 C ATOM 2352 CE1 TYR A 149 3.866 7.721 -0.473 1.00 0.01 C ATOM 2353 CE2 TYR A 149 5.397 6.372 -1.780 1.00 0.01 C ATOM 2354 CZ TYR A 149 5.173 7.357 -0.812 1.00 0.01 C ATOM 2355 OH TYR A 149 6.243 7.970 -0.191 1.00 0.01 O ATOM 0 H TYR A 149 3.087 3.042 -2.084 1.00 0.01 H new ATOM 0 HA TYR A 149 0.765 4.664 -1.055 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.129 5.086 -3.733 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.027 6.159 -2.893 1.00 0.01 H new ATOM 0 HD1 TYR A 149 1.773 7.381 -0.839 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.487 4.990 -3.158 1.00 0.01 H new ATOM 0 HE1 TYR A 149 3.694 8.482 0.274 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.407 6.092 -2.041 1.00 0.01 H new ATOM 0 HH TYR A 149 6.849 7.287 0.166 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.812 3.349 -2.549 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.687 2.421 -3.333 1.00 0.01 C ATOM 2367 C LEU A 150 -2.238 3.153 -4.559 1.00 0.01 C ATOM 2368 O LEU A 150 -2.922 4.151 -4.450 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.840 1.972 -2.425 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.687 0.883 -3.125 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -3.046 -0.497 -2.929 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -5.096 0.860 -2.526 1.00 0.01 C ATOM 0 H LEU A 150 -1.302 3.961 -1.896 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.120 1.554 -3.671 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.443 1.585 -1.487 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.469 2.827 -2.176 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.736 1.114 -4.189 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.652 -1.254 -3.427 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -2.043 -0.497 -3.357 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.986 -0.723 -1.864 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.690 0.092 -3.022 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -5.035 0.640 -1.460 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.568 1.832 -2.669 1.00 0.01 H new ATOM 2384 N LEU A 151 -1.956 2.644 -5.730 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.465 3.277 -6.982 1.00 0.01 C ATOM 2386 C LEU A 151 -3.702 2.504 -7.449 1.00 0.01 C ATOM 2387 O LEU A 151 -3.794 1.301 -7.274 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.379 3.216 -8.065 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.373 4.354 -7.863 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.356 4.166 -6.529 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.645 4.338 -9.005 1.00 0.01 C ATOM 0 H LEU A 151 -1.389 1.808 -5.873 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.724 4.319 -6.797 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -0.866 2.255 -8.024 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -1.834 3.293 -9.053 1.00 0.01 H new ATOM 0 HG LEU A 151 -0.901 5.308 -7.855 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.071 4.977 -6.388 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.368 4.175 -5.714 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.885 3.213 -6.534 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.362 5.147 -8.864 1.00 0.01 H new ATOM 0 HD22 LEU A 151 1.171 3.383 -9.010 1.00 0.01 H new ATOM 0 HD23 LEU A 151 0.128 4.473 -9.955 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.653 3.187 -8.038 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.898 2.511 -8.525 1.00 0.01 C ATOM 2405 C ASP A 152 -5.914 2.509 -10.058 1.00 0.00 C ATOM 2406 O ASP A 152 -5.022 3.028 -10.698 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.122 3.271 -8.005 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.097 3.292 -6.473 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.262 3.990 -5.922 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -7.914 2.608 -5.878 1.00 2.27 O ATOM 0 H ASP A 152 -4.620 4.193 -8.204 1.00 0.01 H new ATOM 0 HA ASP A 152 -5.921 1.484 -8.161 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.123 4.289 -8.393 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.036 2.794 -8.358 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.922 1.927 -10.649 1.00 0.01 N ATOM 2416 CA LYS A 153 -6.992 1.892 -12.139 1.00 0.01 C ATOM 2417 C LYS A 153 -7.310 3.292 -12.664 1.00 0.01 C ATOM 2418 O LYS A 153 -8.070 3.457 -13.599 1.00 0.01 O ATOM 2419 CB LYS A 153 -8.093 0.924 -12.585 1.00 0.38 C ATOM 2420 CG LYS A 153 -9.411 1.297 -11.904 1.00 0.71 C ATOM 2421 CD LYS A 153 -10.460 0.226 -12.200 1.00 0.72 C ATOM 2422 CE LYS A 153 -11.822 0.685 -11.678 1.00 1.09 C ATOM 2423 NZ LYS A 153 -12.823 -0.396 -11.884 1.00 1.84 N ATOM 0 H LYS A 153 -7.699 1.475 -10.166 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.034 1.557 -12.536 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -8.208 0.962 -13.668 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.817 -0.099 -12.330 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.263 1.388 -10.828 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -9.756 2.267 -12.262 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -10.514 0.042 -13.273 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -10.177 -0.715 -11.729 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -11.752 0.934 -10.619 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -12.136 1.590 -12.198 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -13.749 -0.084 -11.529 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -12.896 -0.613 -12.899 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -12.524 -1.249 -11.369 1.00 1.84 H new ATOM 2437 N LYS A 154 -6.727 4.305 -12.069 1.00 0.00 N ATOM 2438 CA LYS A 154 -6.982 5.710 -12.520 1.00 0.01 C ATOM 2439 C LYS A 154 -5.719 6.261 -13.181 1.00 0.01 C ATOM 2440 O LYS A 154 -4.719 5.580 -13.298 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.330 6.575 -11.309 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.731 6.213 -10.808 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.000 6.938 -9.488 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.435 6.664 -9.040 1.00 1.44 C ATOM 2445 NZ LYS A 154 -11.376 7.460 -9.881 1.00 2.28 N ATOM 0 H LYS A 154 -6.081 4.218 -11.285 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.809 5.723 -13.230 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.598 6.421 -10.516 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.290 7.630 -11.579 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.479 6.495 -11.549 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.812 5.135 -10.667 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -8.299 6.600 -8.725 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -8.844 8.010 -9.611 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -10.659 5.601 -9.130 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -10.557 6.928 -7.989 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -12.313 7.480 -9.430 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -11.018 8.431 -9.978 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -11.454 7.024 -10.822 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.756 7.495 -13.614 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.565 8.116 -14.271 1.00 0.01 C ATOM 2461 C GLU A 155 -3.926 9.111 -13.300 1.00 0.01 C ATOM 2462 O GLU A 155 -4.554 10.062 -12.877 1.00 0.01 O ATOM 2463 CB GLU A 155 -5.021 8.854 -15.535 1.00 0.01 C ATOM 2464 CG GLU A 155 -6.050 8.001 -16.276 1.00 0.01 C ATOM 2465 CD GLU A 155 -6.337 8.621 -17.643 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -5.424 8.672 -18.451 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -7.464 9.033 -17.861 1.00 0.01 O ATOM 0 H GLU A 155 -6.569 8.106 -13.540 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.840 7.348 -14.539 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -5.454 9.818 -15.270 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -4.166 9.055 -16.181 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -5.676 6.984 -16.397 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -6.970 7.935 -15.695 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.683 8.904 -12.941 1.00 0.00 N ATOM 2475 CA TYR A 156 -2.012 9.844 -11.993 1.00 0.01 C ATOM 2476 C TYR A 156 -1.169 10.837 -12.791 1.00 0.01 C ATOM 2477 O TYR A 156 -0.186 10.470 -13.410 1.00 0.01 O ATOM 2478 CB TYR A 156 -1.124 9.047 -11.036 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.987 8.178 -10.152 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.469 8.674 -8.935 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.305 6.874 -10.550 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -3.268 7.868 -8.116 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -3.104 6.068 -9.730 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.585 6.564 -8.514 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.372 5.769 -7.706 1.00 0.01 O ATOM 0 H TYR A 156 -2.106 8.127 -13.263 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.757 10.389 -11.414 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.426 8.429 -11.601 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.528 9.726 -10.426 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -2.224 9.680 -8.628 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -1.934 6.490 -11.489 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.640 8.252 -7.177 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.349 5.062 -10.037 1.00 0.01 H new ATOM 0 HH TYR A 156 -5.314 6.010 -7.828 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.578 12.080 -12.831 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.840 13.091 -13.641 1.00 0.01 C ATOM 2497 C ARG A 157 0.202 13.821 -12.796 1.00 0.00 C ATOM 2498 O ARG A 157 1.208 14.266 -13.314 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.837 14.123 -14.190 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.929 13.422 -15.035 1.00 0.01 C ATOM 2501 CD ARG A 157 -4.153 13.084 -14.171 1.00 0.00 C ATOM 2502 NE ARG A 157 -4.671 14.327 -13.533 1.00 0.01 N ATOM 2503 CZ ARG A 157 -5.866 14.338 -13.011 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -6.602 13.261 -13.042 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -6.325 15.425 -12.457 1.00 0.01 N ATOM 0 H ARG A 157 -2.394 12.437 -12.335 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.332 12.572 -14.454 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -2.299 14.666 -13.366 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -1.311 14.857 -14.800 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -3.228 14.069 -15.860 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -2.525 12.510 -15.475 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -4.929 12.627 -14.785 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -3.882 12.356 -13.406 1.00 0.00 H new ATOM 0 HE ARG A 157 -4.093 15.167 -13.505 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -6.243 12.410 -13.475 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -7.537 13.270 -12.634 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -5.750 16.267 -12.432 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -7.260 15.434 -12.049 1.00 0.01 H new ATOM 2519 N LYS A 158 -0.008 13.947 -11.507 1.00 0.01 N ATOM 2520 CA LYS A 158 0.987 14.645 -10.635 1.00 0.01 C ATOM 2521 C LYS A 158 1.400 13.668 -9.521 1.00 0.01 C ATOM 2522 O LYS A 158 0.622 12.820 -9.142 1.00 0.01 O ATOM 2523 CB LYS A 158 0.309 15.881 -10.016 1.00 0.58 C ATOM 2524 CG LYS A 158 -0.215 16.808 -11.124 1.00 0.97 C ATOM 2525 CD LYS A 158 0.931 17.656 -11.693 1.00 1.44 C ATOM 2526 CE LYS A 158 0.365 18.683 -12.679 1.00 2.13 C ATOM 2527 NZ LYS A 158 1.478 19.251 -13.491 1.00 2.54 N ATOM 0 H LYS A 158 -0.831 13.594 -11.020 1.00 0.01 H new ATOM 0 HA LYS A 158 1.863 14.958 -11.203 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.514 15.570 -9.373 1.00 0.58 H new ATOM 0 HB3 LYS A 158 1.019 16.418 -9.388 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -0.668 16.216 -11.919 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -0.995 17.458 -10.726 1.00 0.97 H new ATOM 0 HD2 LYS A 158 1.458 18.164 -10.885 1.00 1.44 H new ATOM 0 HD3 LYS A 158 1.657 17.016 -12.195 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -0.372 18.212 -13.330 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -0.149 19.478 -12.139 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 1.097 19.949 -14.162 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 2.165 19.714 -12.862 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 1.949 18.487 -14.016 1.00 2.54 H new ATOM 2541 N PRO A 159 2.586 13.770 -8.969 1.00 0.01 N ATOM 2542 CA PRO A 159 2.981 12.835 -7.878 1.00 0.02 C ATOM 2543 C PRO A 159 2.037 12.966 -6.672 1.00 0.01 C ATOM 2544 O PRO A 159 1.688 11.989 -6.043 1.00 0.01 O ATOM 2545 CB PRO A 159 4.418 13.289 -7.549 1.00 0.41 C ATOM 2546 CG PRO A 159 4.687 14.609 -8.302 1.00 0.70 C ATOM 2547 CD PRO A 159 3.599 14.783 -9.374 1.00 0.28 C ATOM 0 HA PRO A 159 2.926 11.782 -8.156 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.535 13.433 -6.475 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.136 12.526 -7.849 1.00 0.41 H new ATOM 0 HG2 PRO A 159 4.676 15.450 -7.609 1.00 0.70 H new ATOM 0 HG3 PRO A 159 5.675 14.589 -8.763 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.187 15.792 -9.374 1.00 0.28 H new ATOM 0 HD3 PRO A 159 3.983 14.595 -10.377 1.00 0.28 H new ATOM 2555 N VAL A 160 1.637 14.150 -6.333 1.00 0.01 N ATOM 2556 CA VAL A 160 0.732 14.310 -5.160 1.00 0.02 C ATOM 2557 C VAL A 160 -0.576 13.550 -5.410 1.00 0.02 C ATOM 2558 O VAL A 160 -1.323 13.267 -4.493 1.00 0.02 O ATOM 2559 CB VAL A 160 0.428 15.795 -4.957 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.445 15.975 -3.713 1.00 0.86 C ATOM 2561 CG2 VAL A 160 1.740 16.559 -4.774 1.00 0.74 C ATOM 0 H VAL A 160 1.892 15.014 -6.811 1.00 0.01 H new ATOM 0 HA VAL A 160 1.216 13.909 -4.270 1.00 0.02 H new ATOM 0 HB VAL A 160 -0.102 16.180 -5.828 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.661 17.034 -3.570 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -1.379 15.429 -3.842 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.082 15.591 -2.840 1.00 0.86 H new ATOM 0 HG21 VAL A 160 1.527 17.618 -4.629 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.268 16.172 -3.902 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.362 16.432 -5.660 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.875 13.234 -6.641 1.00 0.00 N ATOM 2572 CA ASP A 161 -2.153 12.517 -6.924 1.00 0.01 C ATOM 2573 C ASP A 161 -2.175 11.099 -6.324 1.00 0.01 C ATOM 2574 O ASP A 161 -3.240 10.541 -6.138 1.00 0.01 O ATOM 2575 CB ASP A 161 -2.358 12.413 -8.437 1.00 0.00 C ATOM 2576 CG ASP A 161 -2.480 13.817 -9.034 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -2.429 14.769 -8.274 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -2.623 13.914 -10.241 1.00 0.00 O ATOM 0 H ASP A 161 -0.297 13.438 -7.456 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.954 13.092 -6.461 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.521 11.884 -8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -3.256 11.835 -8.654 1.00 0.00 H new ATOM 2583 N TRP A 162 -1.036 10.518 -5.982 1.00 0.01 N ATOM 2584 CA TRP A 162 -1.066 9.141 -5.358 1.00 0.01 C ATOM 2585 C TRP A 162 -0.873 9.251 -3.839 1.00 0.01 C ATOM 2586 O TRP A 162 -0.633 8.269 -3.163 1.00 0.01 O ATOM 2587 CB TRP A 162 -0.029 8.178 -5.972 1.00 0.01 C ATOM 2588 CG TRP A 162 1.299 8.823 -6.190 1.00 0.02 C ATOM 2589 CD1 TRP A 162 1.991 9.537 -5.278 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.125 8.776 -7.388 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.183 9.950 -5.850 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.311 9.502 -7.147 1.00 0.01 C ATOM 2593 CE3 TRP A 162 1.955 8.184 -8.652 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.300 9.635 -8.126 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 2.946 8.316 -9.638 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.115 9.039 -9.375 1.00 0.01 C ATOM 0 H TRP A 162 -0.109 10.925 -6.104 1.00 0.01 H new ATOM 0 HA TRP A 162 -2.045 8.712 -5.572 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.094 7.316 -5.316 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.406 7.803 -6.923 1.00 0.01 H new ATOM 0 HD1 TRP A 162 1.669 9.751 -4.270 1.00 0.01 H new ATOM 0 HE1 TRP A 162 3.881 10.517 -5.369 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.057 7.624 -8.866 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.200 10.194 -7.918 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 2.805 7.857 -10.605 1.00 0.01 H new ATOM 0 HH2 TRP A 162 4.874 9.136 -10.138 1.00 0.01 H new ATOM 2607 N GLY A 163 -1.039 10.428 -3.291 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.938 10.595 -1.807 1.00 0.01 C ATOM 2609 C GLY A 163 0.505 10.795 -1.327 1.00 0.01 C ATOM 2610 O GLY A 163 0.776 10.734 -0.145 1.00 0.01 O ATOM 0 H GLY A 163 -1.241 11.284 -3.808 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.540 11.451 -1.501 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.360 9.717 -1.318 1.00 0.01 H new ATOM 2614 N ALA A 164 1.437 11.023 -2.217 1.00 0.01 N ATOM 2615 CA ALA A 164 2.863 11.211 -1.785 1.00 0.02 C ATOM 2616 C ALA A 164 3.216 12.700 -1.769 1.00 0.01 C ATOM 2617 O ALA A 164 2.823 13.458 -2.632 1.00 0.02 O ATOM 2618 CB ALA A 164 3.784 10.525 -2.789 1.00 0.01 C ATOM 0 H ALA A 164 1.277 11.088 -3.222 1.00 0.01 H new ATOM 0 HA ALA A 164 2.986 10.787 -0.788 1.00 0.02 H new ATOM 0 HB1 ALA A 164 4.821 10.658 -2.481 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.551 9.461 -2.829 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.639 10.965 -3.776 1.00 0.01 H new ATOM 2624 N ALA A 165 3.968 13.114 -0.784 1.00 0.02 N ATOM 2625 CA ALA A 165 4.371 14.547 -0.688 1.00 0.01 C ATOM 2626 C ALA A 165 5.631 14.797 -1.525 1.00 0.02 C ATOM 2627 O ALA A 165 6.051 15.924 -1.698 1.00 0.01 O ATOM 2628 CB ALA A 165 4.663 14.908 0.770 1.00 0.59 C ATOM 0 H ALA A 165 4.323 12.517 -0.037 1.00 0.02 H new ATOM 0 HA ALA A 165 3.555 15.164 -1.064 1.00 0.01 H new ATOM 0 HB1 ALA A 165 4.957 15.956 0.834 1.00 0.59 H new ATOM 0 HB2 ALA A 165 3.769 14.745 1.371 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.472 14.281 1.145 1.00 0.59 H new ATOM 2634 N SER A 166 6.237 13.758 -2.049 1.00 0.01 N ATOM 2635 CA SER A 166 7.474 13.940 -2.878 1.00 0.01 C ATOM 2636 C SER A 166 7.429 12.982 -4.085 1.00 0.02 C ATOM 2637 O SER A 166 6.855 11.917 -3.992 1.00 0.01 O ATOM 2638 CB SER A 166 8.700 13.615 -2.024 1.00 0.72 C ATOM 2639 OG SER A 166 8.944 12.217 -2.066 1.00 0.87 O ATOM 0 H SER A 166 5.930 12.792 -1.939 1.00 0.01 H new ATOM 0 HA SER A 166 7.530 14.970 -3.232 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.569 14.159 -2.394 1.00 0.72 H new ATOM 0 HB3 SER A 166 8.537 13.937 -0.995 1.00 0.72 H new ATOM 0 HG SER A 166 9.730 12.006 -1.521 1.00 0.87 H new ATOM 2645 N PRO A 167 8.039 13.329 -5.206 1.00 0.02 N ATOM 2646 CA PRO A 167 8.037 12.420 -6.391 1.00 0.01 C ATOM 2647 C PRO A 167 9.014 11.247 -6.221 1.00 0.01 C ATOM 2648 O PRO A 167 9.368 10.584 -7.176 1.00 0.01 O ATOM 2649 CB PRO A 167 8.529 13.354 -7.506 1.00 0.38 C ATOM 2650 CG PRO A 167 9.297 14.497 -6.830 1.00 0.35 C ATOM 2651 CD PRO A 167 8.760 14.629 -5.396 1.00 0.22 C ATOM 0 HA PRO A 167 7.065 11.960 -6.572 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.172 12.817 -8.203 1.00 0.38 H new ATOM 0 HB3 PRO A 167 7.689 13.742 -8.082 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.367 14.288 -6.821 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.159 15.429 -7.378 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.563 14.759 -4.671 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.093 15.484 -5.288 1.00 0.22 H new ATOM 2659 N ALA A 168 9.488 11.011 -5.028 1.00 0.01 N ATOM 2660 CA ALA A 168 10.475 9.909 -4.849 1.00 0.01 C ATOM 2661 C ALA A 168 9.774 8.554 -4.729 1.00 0.01 C ATOM 2662 O ALA A 168 8.973 8.316 -3.852 1.00 0.02 O ATOM 2663 CB ALA A 168 11.286 10.156 -3.577 1.00 0.18 C ATOM 0 H ALA A 168 9.240 11.524 -4.182 1.00 0.01 H new ATOM 0 HA ALA A 168 11.127 9.892 -5.722 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.009 9.351 -3.444 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.813 11.107 -3.660 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.615 10.187 -2.718 1.00 0.18 H new ATOM 2669 N ILE A 169 10.131 7.666 -5.617 1.00 0.01 N ATOM 2670 CA ILE A 169 9.575 6.283 -5.628 1.00 0.01 C ATOM 2671 C ILE A 169 10.649 5.388 -6.245 1.00 0.01 C ATOM 2672 O ILE A 169 11.144 5.662 -7.320 1.00 0.01 O ATOM 2673 CB ILE A 169 8.278 6.240 -6.469 1.00 1.81 C ATOM 2674 CG1 ILE A 169 7.096 6.890 -5.683 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.939 4.782 -6.816 1.00 2.24 C ATOM 2676 CD1 ILE A 169 6.865 8.328 -6.165 1.00 3.99 C ATOM 0 H ILE A 169 10.807 7.849 -6.359 1.00 0.01 H new ATOM 0 HA ILE A 169 9.321 5.947 -4.623 1.00 0.01 H new ATOM 0 HB ILE A 169 8.434 6.805 -7.388 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.189 6.302 -5.824 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.315 6.888 -4.615 1.00 2.75 H new ATOM 0 HG21 ILE A 169 7.025 4.752 -7.409 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.757 4.345 -7.388 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.794 4.214 -5.897 1.00 2.24 H new ATOM 0 HD11 ILE A 169 6.038 8.770 -5.609 1.00 3.99 H new ATOM 0 HD12 ILE A 169 7.768 8.916 -6.001 1.00 3.99 H new ATOM 0 HD13 ILE A 169 6.625 8.321 -7.228 1.00 3.99 H new ATOM 2688 N GLN A 170 11.048 4.344 -5.555 1.00 0.01 N ATOM 2689 CA GLN A 170 12.140 3.456 -6.077 1.00 0.01 C ATOM 2690 C GLN A 170 11.632 2.058 -6.452 1.00 0.02 C ATOM 2691 O GLN A 170 12.357 1.316 -7.084 1.00 0.01 O ATOM 2692 CB GLN A 170 13.230 3.333 -4.999 1.00 2.62 C ATOM 2693 CG GLN A 170 14.112 4.592 -5.000 1.00 3.39 C ATOM 2694 CD GLN A 170 13.236 5.849 -5.010 1.00 4.36 C ATOM 2695 OE1 GLN A 170 12.339 5.987 -4.203 1.00 4.83 O ATOM 2696 NE2 GLN A 170 13.461 6.778 -5.899 1.00 5.17 N ATOM 0 H GLN A 170 10.664 4.068 -4.651 1.00 0.01 H new ATOM 0 HA GLN A 170 12.536 3.908 -6.986 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.771 3.201 -4.019 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.841 2.450 -5.187 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.756 4.595 -4.120 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.765 4.587 -5.873 1.00 3.39 H new ATOM 0 HE21 GLN A 170 14.214 6.663 -6.577 1.00 5.17 H new ATOM 0 HE22 GLN A 170 12.884 7.619 -5.915 1.00 5.17 H new ATOM 2705 N SER A 171 10.437 1.642 -6.104 1.00 0.01 N ATOM 2706 CA SER A 171 10.027 0.260 -6.510 1.00 0.01 C ATOM 2707 C SER A 171 8.501 0.155 -6.546 1.00 0.01 C ATOM 2708 O SER A 171 7.796 0.921 -5.920 1.00 0.01 O ATOM 2709 CB SER A 171 10.586 -0.747 -5.508 1.00 0.01 C ATOM 2710 OG SER A 171 10.193 -2.057 -5.892 1.00 0.02 O ATOM 0 H SER A 171 9.749 2.178 -5.575 1.00 0.01 H new ATOM 0 HA SER A 171 10.420 0.046 -7.504 1.00 0.01 H new ATOM 0 HB2 SER A 171 11.673 -0.677 -5.472 1.00 0.01 H new ATOM 0 HB3 SER A 171 10.219 -0.523 -4.506 1.00 0.01 H new ATOM 0 HG SER A 171 9.995 -2.587 -5.092 1.00 0.02 H new ATOM 2716 N PHE A 172 7.983 -0.808 -7.264 1.00 0.01 N ATOM 2717 CA PHE A 172 6.496 -0.977 -7.320 1.00 0.01 C ATOM 2718 C PHE A 172 6.144 -2.442 -7.588 1.00 0.01 C ATOM 2719 O PHE A 172 6.927 -3.189 -8.144 1.00 0.01 O ATOM 2720 CB PHE A 172 5.889 -0.079 -8.408 1.00 1.06 C ATOM 2721 CG PHE A 172 6.405 -0.460 -9.778 1.00 0.75 C ATOM 2722 CD1 PHE A 172 5.893 -1.588 -10.434 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.380 0.328 -10.402 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.360 -1.926 -11.708 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.844 -0.011 -11.678 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.335 -1.138 -12.329 1.00 1.92 C ATOM 0 H PHE A 172 8.519 -1.481 -7.811 1.00 0.01 H new ATOM 0 HA PHE A 172 6.078 -0.682 -6.358 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.802 -0.163 -8.389 1.00 1.06 H new ATOM 0 HB3 PHE A 172 6.132 0.963 -8.201 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.139 -2.195 -9.956 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.774 1.198 -9.898 1.00 1.29 H new ATOM 0 HE1 PHE A 172 5.968 -2.796 -12.213 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.595 0.598 -12.159 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.695 -1.401 -13.313 1.00 1.92 H new ATOM 2736 N ARG A 173 4.977 -2.866 -7.168 1.00 0.01 N ATOM 2737 CA ARG A 173 4.568 -4.290 -7.371 1.00 0.01 C ATOM 2738 C ARG A 173 3.074 -4.360 -7.683 1.00 0.01 C ATOM 2739 O ARG A 173 2.281 -3.575 -7.196 1.00 0.01 O ATOM 2740 CB ARG A 173 4.812 -5.081 -6.078 1.00 0.01 C ATOM 2741 CG ARG A 173 6.302 -5.318 -5.851 1.00 0.01 C ATOM 2742 CD ARG A 173 6.465 -6.260 -4.654 1.00 0.01 C ATOM 2743 NE ARG A 173 5.631 -5.764 -3.519 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.367 -6.549 -2.512 1.00 0.01 C ATOM 2745 NH1 ARG A 173 5.830 -7.767 -2.497 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.636 -6.119 -1.520 1.00 0.01 N ATOM 0 H ARG A 173 4.288 -2.284 -6.691 1.00 0.01 H new ATOM 0 HA ARG A 173 5.148 -4.706 -8.194 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.394 -4.537 -5.231 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.292 -6.038 -6.130 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.757 -5.753 -6.741 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.812 -4.373 -5.662 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.163 -7.271 -4.928 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.512 -6.310 -4.356 1.00 0.01 H new ATOM 0 HE ARG A 173 5.268 -4.811 -3.532 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.399 -8.106 -3.273 1.00 0.01 H new ATOM 0 HH12 ARG A 173 5.624 -8.381 -1.709 1.00 0.01 H new ATOM 0 HH21 ARG A 173 4.270 -5.167 -1.531 1.00 0.01 H new ATOM 0 HH22 ARG A 173 4.431 -6.735 -0.733 1.00 0.01 H new ATOM 2760 N ARG A 174 2.685 -5.325 -8.469 1.00 0.01 N ATOM 2761 CA ARG A 174 1.241 -5.494 -8.795 1.00 0.01 C ATOM 2762 C ARG A 174 0.601 -6.347 -7.699 1.00 0.01 C ATOM 2763 O ARG A 174 1.192 -7.295 -7.221 1.00 0.01 O ATOM 2764 CB ARG A 174 1.088 -6.209 -10.140 1.00 0.01 C ATOM 2765 CG ARG A 174 1.822 -7.547 -10.097 1.00 0.01 C ATOM 2766 CD ARG A 174 1.824 -8.168 -11.494 1.00 0.01 C ATOM 2767 NE ARG A 174 0.420 -8.388 -11.944 1.00 0.01 N ATOM 2768 CZ ARG A 174 0.168 -8.613 -13.204 1.00 0.01 C ATOM 2769 NH1 ARG A 174 1.143 -8.642 -14.070 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -1.061 -8.810 -13.598 1.00 0.01 N ATOM 0 H ARG A 174 3.308 -6.007 -8.902 1.00 0.01 H new ATOM 0 HA ARG A 174 0.759 -4.518 -8.856 1.00 0.01 H new ATOM 0 HB2 ARG A 174 0.032 -6.369 -10.360 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.490 -5.588 -10.941 1.00 0.01 H new ATOM 0 HG2 ARG A 174 2.845 -7.403 -9.749 1.00 0.01 H new ATOM 0 HG3 ARG A 174 1.337 -8.218 -9.389 1.00 0.01 H new ATOM 0 HD2 ARG A 174 2.343 -7.513 -12.194 1.00 0.01 H new ATOM 0 HD3 ARG A 174 2.365 -9.114 -11.482 1.00 0.01 H new ATOM 0 HE ARG A 174 -0.343 -8.363 -11.267 1.00 0.01 H new ATOM 0 HH11 ARG A 174 2.103 -8.489 -13.762 1.00 0.01 H new ATOM 0 HH12 ARG A 174 0.945 -8.818 -15.055 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -1.823 -8.788 -12.921 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -1.259 -8.986 -14.583 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.603 -6.031 -7.304 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.270 -6.846 -6.242 1.00 0.01 C ATOM 2786 C ILE A 175 -2.157 -7.907 -6.894 1.00 0.00 C ATOM 2787 O ILE A 175 -2.955 -7.614 -7.761 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.133 -5.962 -5.347 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.334 -4.722 -4.913 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.542 -6.760 -4.105 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.207 -3.767 -4.074 1.00 3.04 C ATOM 0 H ILE A 175 -1.152 -5.251 -7.666 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.498 -7.321 -5.636 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.019 -5.644 -5.895 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.465 -5.030 -4.332 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -0.960 -4.199 -5.794 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.159 -6.136 -3.459 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -3.108 -7.640 -4.408 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.649 -7.072 -3.563 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.617 -2.899 -3.780 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.062 -3.441 -4.666 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.559 -4.285 -3.182 1.00 3.04 H new ATOM 2803 N VAL A 176 -2.018 -9.139 -6.481 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.844 -10.243 -7.065 1.00 0.00 C ATOM 2805 C VAL A 176 -3.348 -11.155 -5.945 1.00 0.01 C ATOM 2806 O VAL A 176 -2.691 -11.341 -4.940 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.988 -11.069 -8.026 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.586 -10.208 -9.224 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.732 -11.551 -7.301 1.00 1.89 C ATOM 0 H VAL A 176 -1.362 -9.433 -5.757 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.690 -9.811 -7.599 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.561 -11.928 -8.374 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -0.976 -10.798 -9.908 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.481 -9.864 -9.741 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.014 -9.347 -8.878 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -0.121 -12.140 -7.985 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -0.160 -10.691 -6.952 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -1.018 -12.166 -6.448 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.511 -11.727 -6.111 1.00 0.01 N ATOM 2820 CA GLU A 177 -5.068 -12.630 -5.060 1.00 0.01 C ATOM 2821 C GLU A 177 -4.902 -11.983 -3.682 1.00 0.01 C ATOM 2822 O GLU A 177 -4.443 -12.605 -2.744 1.00 0.01 O ATOM 2823 CB GLU A 177 -4.322 -13.966 -5.092 1.00 2.15 C ATOM 2824 CG GLU A 177 -4.509 -14.624 -6.458 1.00 3.19 C ATOM 2825 CD GLU A 177 -3.583 -15.834 -6.575 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -2.786 -16.035 -5.674 1.00 4.77 O ATOM 2827 OE2 GLU A 177 -3.684 -16.541 -7.565 1.00 4.89 O ATOM 0 H GLU A 177 -5.102 -11.607 -6.933 1.00 0.01 H new ATOM 0 HA GLU A 177 -6.128 -12.799 -5.252 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -3.262 -13.807 -4.896 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -4.697 -14.622 -4.306 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -5.546 -14.934 -6.585 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -4.291 -13.908 -7.251 1.00 3.19 H new