USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 684 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 Single : A 5 ASN :FLIP amide:sc= -1.68 F(o=-2.6,f=-1.7) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0021 USER MOD Single : A 11 ASN : amide:sc= -0.594 K(o=-0.59,f=-7.4!) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.154 F(o=-4.3!,f=-0.15) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -66:sc= 0.287 USER MOD Single : A 31 THR OG1 : rot 150:sc= 0.0132 USER MOD Single : A 33 LYS NZ :NH3+ 151:sc= -1.35 (180deg=-2.07!) USER MOD Single : A 35 TYR OH : rot -144:sc= -1.74! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -159:sc= -0.167 (180deg=-1.17) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -55:sc= 0.0622 USER MOD Single : A 50 HIS : no HD1:sc= 0.413 K(o=0.41,f=-6.6!) USER MOD Single : A 55 TYR OH : rot 9:sc= -0.385 USER MOD Single : A 56 ASN :FLIP amide:sc= -1.99! C(o=-3.3!,f=-2!) USER MOD Single : A 69 THR OG1 : rot 32:sc= 0.227 USER MOD Single : A 73 HIS : no HD1:sc= -2.03 K(o=-2,f=-6.5!) USER MOD Single : A 75 HIS : no HD1:sc= -2.36 K(o=-2.4,f=-4.2!) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.303 F(o=-3.4!,f=-0.3) USER MOD Single : A 80 LYS NZ :NH3+ -164:sc= -0.0016 (180deg=-0.281) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -15:sc= 0.286! USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 4 -20.363 -3.230 -2.640 1.00 0.00 N ATOM 42 CA ASP A 4 -19.686 -4.165 -3.599 1.00 0.00 C ATOM 43 C ASP A 4 -18.407 -3.514 -4.132 1.00 0.00 C ATOM 44 O ASP A 4 -18.443 -2.721 -5.052 1.00 0.00 O ATOM 45 CB ASP A 4 -20.630 -4.451 -4.769 1.00 0.00 C ATOM 46 CG ASP A 4 -21.937 -5.043 -4.238 1.00 0.00 C ATOM 47 OD1 ASP A 4 -22.007 -6.254 -4.112 1.00 0.00 O ATOM 48 OD2 ASP A 4 -22.845 -4.275 -3.966 1.00 0.00 O ATOM 0 HA ASP A 4 -19.435 -5.094 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -20.832 -3.532 -5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -20.161 -5.145 -5.467 1.00 0.00 H new ATOM 53 N ASN A 5 -17.277 -3.845 -3.569 1.00 0.00 N ATOM 54 CA ASN A 5 -16.000 -3.246 -4.053 1.00 0.00 C ATOM 55 C ASN A 5 -14.823 -3.984 -3.414 1.00 0.00 C ATOM 56 O ASN A 5 -14.482 -3.754 -2.269 1.00 0.00 O ATOM 57 CB ASN A 5 -15.948 -1.768 -3.665 1.00 0.00 C ATOM 58 CG ASN A 5 -14.638 -1.155 -4.163 1.00 0.00 C ATOM 59 OD1 ASN A 5 -13.948 -1.777 -5.081 1.00 0.00 O flip ATOM 60 ND2 ASN A 5 -14.237 -0.100 -3.713 1.00 0.00 N flip ATOM 0 H ASN A 5 -17.182 -4.503 -2.796 1.00 0.00 H new ATOM 0 HA ASN A 5 -15.943 -3.336 -5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -16.797 -1.238 -4.096 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -16.023 -1.662 -2.583 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.775 0.386 -2.996 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.362 0.299 -4.052 1.00 0.00 H new ATOM 67 N GLU A 6 -14.197 -4.874 -4.141 1.00 0.00 N ATOM 68 CA GLU A 6 -13.044 -5.629 -3.565 1.00 0.00 C ATOM 69 C GLU A 6 -12.219 -6.260 -4.690 1.00 0.00 C ATOM 70 O GLU A 6 -12.711 -6.509 -5.773 1.00 0.00 O ATOM 71 CB GLU A 6 -13.574 -6.726 -2.630 1.00 0.00 C ATOM 72 CG GLU A 6 -14.507 -7.684 -3.399 1.00 0.00 C ATOM 73 CD GLU A 6 -13.682 -8.702 -4.194 1.00 0.00 C ATOM 74 OE1 GLU A 6 -12.781 -9.286 -3.616 1.00 0.00 O ATOM 75 OE2 GLU A 6 -13.968 -8.879 -5.367 1.00 0.00 O ATOM 0 H GLU A 6 -14.433 -5.110 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.408 -4.946 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.740 -7.284 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.113 -6.274 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.163 -8.203 -2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.146 -7.116 -4.075 1.00 0.00 H new ATOM 82 N ILE A 7 -10.962 -6.525 -4.435 1.00 0.00 N ATOM 83 CA ILE A 7 -10.081 -7.146 -5.473 1.00 0.00 C ATOM 84 C ILE A 7 -9.046 -8.036 -4.781 1.00 0.00 C ATOM 85 O ILE A 7 -8.830 -7.937 -3.590 1.00 0.00 O ATOM 86 CB ILE A 7 -9.374 -6.047 -6.274 1.00 0.00 C ATOM 87 CG1 ILE A 7 -8.594 -5.136 -5.318 1.00 0.00 C ATOM 88 CG2 ILE A 7 -10.418 -5.223 -7.038 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.967 -3.976 -6.100 1.00 0.00 C ATOM 0 H ILE A 7 -10.504 -6.336 -3.544 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.681 -7.748 -6.155 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.681 -6.500 -6.983 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.259 -4.749 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.816 -5.707 -4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.918 -4.441 -7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.968 -5.873 -7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.112 -4.769 -6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.414 -3.332 -5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.287 -4.371 -6.855 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.753 -3.398 -6.586 1.00 0.00 H new ATOM 101 N SER A 8 -8.408 -8.915 -5.515 1.00 0.00 N ATOM 102 CA SER A 8 -7.389 -9.825 -4.899 1.00 0.00 C ATOM 103 C SER A 8 -6.253 -10.078 -5.887 1.00 0.00 C ATOM 104 O SER A 8 -6.400 -9.918 -7.083 1.00 0.00 O ATOM 105 CB SER A 8 -8.052 -11.155 -4.539 1.00 0.00 C ATOM 106 OG SER A 8 -9.156 -10.912 -3.678 1.00 0.00 O ATOM 0 H SER A 8 -8.549 -9.043 -6.517 1.00 0.00 H new ATOM 0 HA SER A 8 -6.986 -9.357 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.386 -11.664 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.333 -11.812 -4.050 1.00 0.00 H new ATOM 0 HG SER A 8 -9.584 -11.763 -3.447 1.00 0.00 H new ATOM 112 N VAL A 9 -5.116 -10.481 -5.386 1.00 0.00 N ATOM 113 CA VAL A 9 -3.943 -10.763 -6.266 1.00 0.00 C ATOM 114 C VAL A 9 -3.118 -11.882 -5.630 1.00 0.00 C ATOM 115 O VAL A 9 -2.368 -11.658 -4.700 1.00 0.00 O ATOM 116 CB VAL A 9 -3.079 -9.505 -6.396 1.00 0.00 C ATOM 117 CG1 VAL A 9 -1.924 -9.778 -7.362 1.00 0.00 C ATOM 118 CG2 VAL A 9 -3.931 -8.350 -6.933 1.00 0.00 C ATOM 0 H VAL A 9 -4.947 -10.629 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.285 -11.062 -7.257 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.680 -9.237 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.308 -8.883 -7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.316 -10.598 -6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.323 -10.047 -8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.315 -7.456 -7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.331 -8.617 -7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.754 -8.155 -6.245 1.00 0.00 H new ATOM 128 N GLY A 10 -3.258 -13.085 -6.112 1.00 0.00 N ATOM 129 CA GLY A 10 -2.490 -14.213 -5.518 1.00 0.00 C ATOM 130 C GLY A 10 -3.079 -14.549 -4.148 1.00 0.00 C ATOM 131 O GLY A 10 -4.162 -15.090 -4.047 1.00 0.00 O ATOM 0 H GLY A 10 -3.869 -13.335 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.535 -15.084 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.439 -13.942 -5.420 1.00 0.00 H new ATOM 135 N ASN A 11 -2.370 -14.228 -3.090 1.00 0.00 N ATOM 136 CA ASN A 11 -2.870 -14.517 -1.705 1.00 0.00 C ATOM 137 C ASN A 11 -3.256 -13.205 -1.014 1.00 0.00 C ATOM 138 O ASN A 11 -3.591 -13.183 0.157 1.00 0.00 O ATOM 139 CB ASN A 11 -1.760 -15.200 -0.905 1.00 0.00 C ATOM 140 CG ASN A 11 -0.474 -14.378 -1.005 1.00 0.00 C ATOM 141 OD1 ASN A 11 -0.026 -14.061 -2.088 1.00 0.00 O ATOM 142 ND2 ASN A 11 0.142 -14.017 0.087 1.00 0.00 N ATOM 0 H ASN A 11 -1.457 -13.774 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.743 -15.168 -1.760 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.059 -15.300 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.590 -16.207 -1.286 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.000 -13.468 0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.235 -14.283 0.997 1.00 0.00 H new ATOM 149 N LEU A 12 -3.189 -12.103 -1.725 1.00 0.00 N ATOM 150 CA LEU A 12 -3.534 -10.779 -1.121 1.00 0.00 C ATOM 151 C LEU A 12 -4.996 -10.454 -1.444 1.00 0.00 C ATOM 152 O LEU A 12 -5.379 -10.414 -2.596 1.00 0.00 O ATOM 153 CB LEU A 12 -2.639 -9.695 -1.745 1.00 0.00 C ATOM 154 CG LEU A 12 -1.212 -9.772 -1.177 1.00 0.00 C ATOM 155 CD1 LEU A 12 -0.645 -11.190 -1.341 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.321 -8.770 -1.928 1.00 0.00 C ATOM 0 H LEU A 12 -2.908 -12.066 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.384 -10.812 -0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.612 -9.818 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.061 -8.710 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.235 -9.529 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.365 -11.227 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.278 -11.899 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.620 -11.452 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.693 -8.817 -1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.308 -9.019 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.715 -7.762 -1.796 1.00 0.00 H new ATOM 168 N ARG A 13 -5.811 -10.213 -0.442 1.00 0.00 N ATOM 169 CA ARG A 13 -7.258 -9.875 -0.688 1.00 0.00 C ATOM 170 C ARG A 13 -7.546 -8.478 -0.137 1.00 0.00 C ATOM 171 O ARG A 13 -7.231 -8.170 0.995 1.00 0.00 O ATOM 172 CB ARG A 13 -8.153 -10.899 0.008 1.00 0.00 C ATOM 173 CG ARG A 13 -7.955 -12.273 -0.636 1.00 0.00 C ATOM 174 CD ARG A 13 -8.805 -13.310 0.100 1.00 0.00 C ATOM 175 NE ARG A 13 -10.249 -13.035 -0.148 1.00 0.00 N ATOM 176 CZ ARG A 13 -11.151 -13.914 0.196 1.00 0.00 C ATOM 177 NH1 ARG A 13 -10.789 -15.036 0.756 1.00 0.00 N ATOM 178 NH2 ARG A 13 -12.414 -13.671 -0.021 1.00 0.00 N ATOM 0 H ARG A 13 -5.538 -10.235 0.541 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.462 -9.896 -1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.912 -10.946 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.197 -10.597 -0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.237 -12.237 -1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.903 -12.556 -0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.551 -14.313 -0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.595 -13.275 1.169 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.533 -12.159 -0.587 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.801 -15.226 0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.494 -15.723 1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.697 -12.794 -0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.119 -14.358 0.248 1.00 0.00 H new ATOM 192 N LEU A 14 -8.134 -7.624 -0.945 1.00 0.00 N ATOM 193 CA LEU A 14 -8.449 -6.222 -0.510 1.00 0.00 C ATOM 194 C LEU A 14 -9.968 -6.022 -0.515 1.00 0.00 C ATOM 195 O LEU A 14 -10.631 -6.296 -1.496 1.00 0.00 O ATOM 196 CB LEU A 14 -7.795 -5.249 -1.506 1.00 0.00 C ATOM 197 CG LEU A 14 -8.174 -3.790 -1.196 1.00 0.00 C ATOM 198 CD1 LEU A 14 -7.754 -3.417 0.234 1.00 0.00 C ATOM 199 CD2 LEU A 14 -7.456 -2.876 -2.195 1.00 0.00 C ATOM 0 H LEU A 14 -8.413 -7.843 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.068 -6.040 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.711 -5.361 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.106 -5.500 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.254 -3.671 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.030 -2.382 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.259 -4.072 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.675 -3.532 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.714 -1.837 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.378 -3.008 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.764 -3.132 -3.209 1.00 0.00 H new ATOM 211 N ASN A 15 -10.522 -5.540 0.577 1.00 0.00 N ATOM 212 CA ASN A 15 -12.007 -5.307 0.659 1.00 0.00 C ATOM 213 C ASN A 15 -12.273 -3.835 1.003 1.00 0.00 C ATOM 214 O ASN A 15 -12.227 -3.435 2.150 1.00 0.00 O ATOM 215 CB ASN A 15 -12.608 -6.207 1.752 1.00 0.00 C ATOM 216 CG ASN A 15 -12.760 -7.638 1.224 1.00 0.00 C ATOM 217 OD1 ASN A 15 -11.801 -8.166 0.512 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 -13.763 -8.281 1.461 1.00 0.00 N flip ATOM 0 H ASN A 15 -10.006 -5.296 1.422 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.467 -5.546 -0.300 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.967 -6.201 2.633 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.579 -5.819 2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.513 -7.870 2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.855 -9.232 1.104 1.00 0.00 H new ATOM 225 N VAL A 16 -12.559 -3.034 0.013 1.00 0.00 N ATOM 226 CA VAL A 16 -12.839 -1.591 0.262 1.00 0.00 C ATOM 227 C VAL A 16 -14.190 -1.454 0.957 1.00 0.00 C ATOM 228 O VAL A 16 -14.440 -0.509 1.678 1.00 0.00 O ATOM 229 CB VAL A 16 -12.890 -0.855 -1.075 1.00 0.00 C ATOM 230 CG1 VAL A 16 -13.015 0.650 -0.827 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.610 -1.138 -1.864 1.00 0.00 C ATOM 0 H VAL A 16 -12.611 -3.320 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.056 -1.167 0.891 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.752 -1.201 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.051 1.174 -1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.928 0.852 -0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.155 0.997 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.647 -0.612 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.747 -0.794 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.522 -2.210 -2.043 1.00 0.00 H new ATOM 241 N THR A 17 -15.062 -2.393 0.738 1.00 0.00 N ATOM 242 CA THR A 17 -16.408 -2.336 1.371 1.00 0.00 C ATOM 243 C THR A 17 -16.267 -2.448 2.894 1.00 0.00 C ATOM 244 O THR A 17 -16.754 -1.615 3.632 1.00 0.00 O ATOM 245 CB THR A 17 -17.273 -3.499 0.841 1.00 0.00 C ATOM 246 OG1 THR A 17 -18.186 -3.913 1.850 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.382 -4.685 0.443 1.00 0.00 C ATOM 0 H THR A 17 -14.900 -3.205 0.143 1.00 0.00 H new ATOM 0 HA THR A 17 -16.886 -1.388 1.125 1.00 0.00 H new ATOM 0 HB THR A 17 -17.824 -3.157 -0.035 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.735 -4.650 1.511 1.00 0.00 H new ATOM 0 HG21 THR A 17 -17.004 -5.499 0.071 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.688 -4.373 -0.337 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.821 -5.026 1.313 1.00 0.00 H new ATOM 255 N ARG A 18 -15.602 -3.470 3.369 1.00 0.00 N ATOM 256 CA ARG A 18 -15.424 -3.639 4.845 1.00 0.00 C ATOM 257 C ARG A 18 -14.131 -2.949 5.268 1.00 0.00 C ATOM 258 O ARG A 18 -13.869 -2.755 6.438 1.00 0.00 O ATOM 259 CB ARG A 18 -15.336 -5.131 5.179 1.00 0.00 C ATOM 260 CG ARG A 18 -16.510 -5.873 4.536 1.00 0.00 C ATOM 261 CD ARG A 18 -16.436 -7.358 4.896 1.00 0.00 C ATOM 262 NE ARG A 18 -17.414 -8.120 4.070 1.00 0.00 N ATOM 263 CZ ARG A 18 -17.712 -9.353 4.381 1.00 0.00 C ATOM 264 NH1 ARG A 18 -17.155 -9.918 5.417 1.00 0.00 N ATOM 265 NH2 ARG A 18 -18.567 -10.020 3.656 1.00 0.00 N ATOM 0 H ARG A 18 -15.173 -4.198 2.797 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.270 -3.199 5.373 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.393 -5.540 4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.351 -5.273 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -17.454 -5.451 4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.483 -5.749 3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.428 -7.735 4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.652 -7.497 5.955 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.851 -7.679 3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.487 -9.397 5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.388 -10.881 5.660 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.003 -9.579 2.846 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.800 -10.983 3.899 1.00 0.00 H new ATOM 279 N ARG A 19 -13.317 -2.592 4.314 1.00 0.00 N ATOM 280 CA ARG A 19 -12.024 -1.922 4.625 1.00 0.00 C ATOM 281 C ARG A 19 -11.123 -2.897 5.395 1.00 0.00 C ATOM 282 O ARG A 19 -10.747 -2.652 6.524 1.00 0.00 O ATOM 283 CB ARG A 19 -12.279 -0.651 5.466 1.00 0.00 C ATOM 284 CG ARG A 19 -11.094 0.337 5.334 1.00 0.00 C ATOM 285 CD ARG A 19 -11.277 1.234 4.101 1.00 0.00 C ATOM 286 NE ARG A 19 -10.146 2.202 4.022 1.00 0.00 N ATOM 287 CZ ARG A 19 -10.188 3.189 3.168 1.00 0.00 C ATOM 288 NH1 ARG A 19 -11.221 3.329 2.382 1.00 0.00 N ATOM 289 NH2 ARG A 19 -9.198 4.035 3.101 1.00 0.00 N ATOM 0 H ARG A 19 -13.495 -2.738 3.320 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.530 -1.631 3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.200 -0.169 5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.418 -0.923 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.024 0.952 6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.159 -0.217 5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.314 0.626 3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.225 1.769 4.164 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.339 2.093 4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.995 2.667 2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.254 4.100 1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.391 3.926 3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.230 4.806 2.434 1.00 0.00 H new ATOM 303 N LEU A 20 -10.777 -4.006 4.784 1.00 0.00 N ATOM 304 CA LEU A 20 -9.902 -5.019 5.451 1.00 0.00 C ATOM 305 C LEU A 20 -8.909 -5.575 4.425 1.00 0.00 C ATOM 306 O LEU A 20 -9.162 -5.561 3.237 1.00 0.00 O ATOM 307 CB LEU A 20 -10.757 -6.174 5.991 1.00 0.00 C ATOM 308 CG LEU A 20 -11.712 -5.685 7.094 1.00 0.00 C ATOM 309 CD1 LEU A 20 -12.695 -6.812 7.434 1.00 0.00 C ATOM 310 CD2 LEU A 20 -10.925 -5.288 8.361 1.00 0.00 C ATOM 0 H LEU A 20 -11.069 -4.254 3.839 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.369 -4.546 6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.332 -6.617 5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.109 -6.956 6.386 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.251 -4.809 6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.377 -6.476 8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.265 -7.078 6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.142 -7.683 7.785 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.619 -4.945 9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.372 -6.151 8.731 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.227 -4.487 8.119 1.00 0.00 H new ATOM 322 N VAL A 21 -7.776 -6.061 4.877 1.00 0.00 N ATOM 323 CA VAL A 21 -6.750 -6.618 3.939 1.00 0.00 C ATOM 324 C VAL A 21 -6.145 -7.888 4.544 1.00 0.00 C ATOM 325 O VAL A 21 -5.664 -7.877 5.659 1.00 0.00 O ATOM 326 CB VAL A 21 -5.635 -5.581 3.748 1.00 0.00 C ATOM 327 CG1 VAL A 21 -4.746 -5.990 2.570 1.00 0.00 C ATOM 328 CG2 VAL A 21 -6.253 -4.206 3.477 1.00 0.00 C ATOM 0 H VAL A 21 -7.517 -6.095 5.863 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.216 -6.851 2.982 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.030 -5.531 4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.955 -5.251 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.302 -6.965 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.347 -6.045 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.460 -3.471 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.862 -4.253 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.877 -3.915 4.322 1.00 0.00 H new ATOM 338 N TRP A 22 -6.149 -8.982 3.814 1.00 0.00 N ATOM 339 CA TRP A 22 -5.552 -10.253 4.342 1.00 0.00 C ATOM 340 C TRP A 22 -4.190 -10.475 3.689 1.00 0.00 C ATOM 341 O TRP A 22 -3.968 -10.111 2.549 1.00 0.00 O ATOM 342 CB TRP A 22 -6.457 -11.440 4.005 1.00 0.00 C ATOM 343 CG TRP A 22 -7.747 -11.323 4.751 1.00 0.00 C ATOM 344 CD1 TRP A 22 -8.064 -12.022 5.864 1.00 0.00 C ATOM 345 CD2 TRP A 22 -8.896 -10.480 4.456 1.00 0.00 C ATOM 346 NE1 TRP A 22 -9.335 -11.661 6.273 1.00 0.00 N ATOM 347 CE2 TRP A 22 -9.890 -10.713 5.436 1.00 0.00 C ATOM 348 CE3 TRP A 22 -9.170 -9.544 3.443 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -11.112 -10.042 5.412 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.399 -8.867 3.417 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.368 -9.116 4.398 1.00 0.00 C ATOM 0 H TRP A 22 -6.541 -9.049 2.875 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.447 -10.173 5.424 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.648 -11.470 2.932 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.959 -12.374 4.266 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -7.428 -12.745 6.354 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -9.805 -12.047 7.092 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.431 -9.345 2.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -11.855 -10.237 6.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -10.599 -8.149 2.635 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.312 -8.592 4.370 1.00 0.00 H new ATOM 362 N LEU A 23 -3.282 -11.086 4.410 1.00 0.00 N ATOM 363 CA LEU A 23 -1.913 -11.367 3.875 1.00 0.00 C ATOM 364 C LEU A 23 -1.626 -12.848 4.106 1.00 0.00 C ATOM 365 O LEU A 23 -1.343 -13.264 5.209 1.00 0.00 O ATOM 366 CB LEU A 23 -0.897 -10.504 4.643 1.00 0.00 C ATOM 367 CG LEU A 23 0.547 -10.919 4.318 1.00 0.00 C ATOM 368 CD1 LEU A 23 0.781 -10.888 2.799 1.00 0.00 C ATOM 369 CD2 LEU A 23 1.510 -9.944 5.007 1.00 0.00 C ATOM 0 H LEU A 23 -3.435 -11.408 5.366 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.843 -11.133 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.042 -9.454 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.072 -10.599 5.715 1.00 0.00 H new ATOM 0 HG LEU A 23 0.722 -11.933 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.808 -11.184 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.094 -11.579 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.608 -9.879 2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.538 -10.229 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.326 -8.933 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.351 -9.976 6.085 1.00 0.00 H new ATOM 381 N GLY A 24 -1.721 -13.658 3.088 1.00 0.00 N ATOM 382 CA GLY A 24 -1.477 -15.114 3.294 1.00 0.00 C ATOM 383 C GLY A 24 -2.716 -15.706 3.963 1.00 0.00 C ATOM 384 O GLY A 24 -2.629 -16.450 4.918 1.00 0.00 O ATOM 0 H GLY A 24 -1.954 -13.380 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.285 -15.607 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.596 -15.269 3.917 1.00 0.00 H new ATOM 388 N GLU A 25 -3.869 -15.361 3.457 1.00 0.00 N ATOM 389 CA GLU A 25 -5.149 -15.871 4.030 1.00 0.00 C ATOM 390 C GLU A 25 -5.303 -15.405 5.484 1.00 0.00 C ATOM 391 O GLU A 25 -6.292 -15.702 6.125 1.00 0.00 O ATOM 392 CB GLU A 25 -5.177 -17.404 3.970 1.00 0.00 C ATOM 393 CG GLU A 25 -4.692 -17.873 2.594 1.00 0.00 C ATOM 394 CD GLU A 25 -4.976 -19.369 2.433 1.00 0.00 C ATOM 395 OE1 GLU A 25 -4.944 -20.069 3.431 1.00 0.00 O ATOM 396 OE2 GLU A 25 -5.220 -19.788 1.313 1.00 0.00 O ATOM 0 H GLU A 25 -3.980 -14.737 2.658 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.977 -15.475 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.542 -17.820 4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.188 -17.767 4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.196 -17.310 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.624 -17.682 2.489 1.00 0.00 H new ATOM 403 N THR A 26 -4.342 -14.674 6.011 1.00 0.00 N ATOM 404 CA THR A 26 -4.445 -14.185 7.431 1.00 0.00 C ATOM 405 C THR A 26 -4.815 -12.702 7.444 1.00 0.00 C ATOM 406 O THR A 26 -4.342 -11.926 6.642 1.00 0.00 O ATOM 407 CB THR A 26 -3.106 -14.370 8.148 1.00 0.00 C ATOM 408 OG1 THR A 26 -2.081 -13.713 7.419 1.00 0.00 O ATOM 409 CG2 THR A 26 -2.782 -15.861 8.261 1.00 0.00 C ATOM 0 H THR A 26 -3.492 -14.395 5.520 1.00 0.00 H new ATOM 0 HA THR A 26 -5.216 -14.761 7.943 1.00 0.00 H new ATOM 0 HB THR A 26 -3.171 -13.940 9.148 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.954 -14.161 6.557 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.828 -15.988 8.772 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.567 -16.362 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.720 -16.297 7.264 1.00 0.00 H new ATOM 417 N ALA A 27 -5.665 -12.305 8.351 1.00 0.00 N ATOM 418 CA ALA A 27 -6.078 -10.874 8.420 1.00 0.00 C ATOM 419 C ALA A 27 -4.866 -9.994 8.738 1.00 0.00 C ATOM 420 O ALA A 27 -4.338 -10.021 9.832 1.00 0.00 O ATOM 421 CB ALA A 27 -7.129 -10.703 9.518 1.00 0.00 C ATOM 0 H ALA A 27 -6.093 -12.912 9.050 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.495 -10.575 7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.433 -9.658 9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.997 -11.322 9.291 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.707 -11.007 10.476 1.00 0.00 H new ATOM 427 N LEU A 28 -4.428 -9.203 7.794 1.00 0.00 N ATOM 428 CA LEU A 28 -3.260 -8.310 8.047 1.00 0.00 C ATOM 429 C LEU A 28 -3.729 -7.117 8.883 1.00 0.00 C ATOM 430 O LEU A 28 -4.758 -6.529 8.612 1.00 0.00 O ATOM 431 CB LEU A 28 -2.697 -7.822 6.705 1.00 0.00 C ATOM 432 CG LEU A 28 -1.425 -6.977 6.915 1.00 0.00 C ATOM 433 CD1 LEU A 28 -0.284 -7.838 7.500 1.00 0.00 C ATOM 434 CD2 LEU A 28 -0.990 -6.395 5.561 1.00 0.00 C ATOM 0 H LEU A 28 -4.829 -9.137 6.858 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.480 -8.849 8.584 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.469 -8.678 6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.450 -7.230 6.184 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.642 -6.175 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.603 -7.220 7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.594 -8.249 8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.054 -8.653 6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.090 -5.794 5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.783 -7.208 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.788 -5.769 5.161 1.00 0.00 H new ATOM 446 N ASP A 29 -2.986 -6.756 9.900 1.00 0.00 N ATOM 447 CA ASP A 29 -3.383 -5.599 10.770 1.00 0.00 C ATOM 448 C ASP A 29 -2.558 -4.367 10.394 1.00 0.00 C ATOM 449 O ASP A 29 -1.365 -4.318 10.619 1.00 0.00 O ATOM 450 CB ASP A 29 -3.110 -5.957 12.233 1.00 0.00 C ATOM 451 CG ASP A 29 -3.793 -7.284 12.572 1.00 0.00 C ATOM 452 OD1 ASP A 29 -4.614 -7.724 11.784 1.00 0.00 O ATOM 453 OD2 ASP A 29 -3.482 -7.839 13.613 1.00 0.00 O ATOM 0 H ASP A 29 -2.115 -7.215 10.169 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.442 -5.384 10.629 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.036 -6.034 12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.481 -5.168 12.887 1.00 0.00 H new ATOM 458 N LEU A 30 -3.186 -3.367 9.821 1.00 0.00 N ATOM 459 CA LEU A 30 -2.446 -2.124 9.422 1.00 0.00 C ATOM 460 C LEU A 30 -3.305 -0.889 9.718 1.00 0.00 C ATOM 461 O LEU A 30 -4.519 -0.942 9.709 1.00 0.00 O ATOM 462 CB LEU A 30 -2.087 -2.184 7.925 1.00 0.00 C ATOM 463 CG LEU A 30 -3.331 -2.017 7.031 1.00 0.00 C ATOM 464 CD1 LEU A 30 -2.909 -2.183 5.567 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.395 -3.076 7.380 1.00 0.00 C ATOM 0 H LEU A 30 -4.184 -3.357 9.611 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.524 -2.055 9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.365 -1.401 7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.606 -3.137 7.704 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.760 -1.028 7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.780 -2.067 4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.167 -1.426 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.480 -3.174 5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.266 -2.942 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.981 -4.072 7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.692 -2.964 8.423 1.00 0.00 H new ATOM 477 N THR A 31 -2.676 0.220 9.993 1.00 0.00 N ATOM 478 CA THR A 31 -3.436 1.463 10.304 1.00 0.00 C ATOM 479 C THR A 31 -4.357 1.803 9.121 1.00 0.00 C ATOM 480 O THR A 31 -4.066 1.453 7.994 1.00 0.00 O ATOM 481 CB THR A 31 -2.434 2.609 10.527 1.00 0.00 C ATOM 482 OG1 THR A 31 -1.422 2.542 9.532 1.00 0.00 O ATOM 483 CG2 THR A 31 -1.793 2.477 11.911 1.00 0.00 C ATOM 0 H THR A 31 -1.661 0.319 10.016 1.00 0.00 H new ATOM 0 HA THR A 31 -4.041 1.321 11.200 1.00 0.00 H new ATOM 0 HB THR A 31 -2.956 3.564 10.463 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.088 3.444 9.344 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.084 3.291 12.063 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.568 2.522 12.677 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.270 1.523 11.980 1.00 0.00 H new ATOM 491 N PRO A 32 -5.459 2.483 9.360 1.00 0.00 N ATOM 492 CA PRO A 32 -6.405 2.861 8.267 1.00 0.00 C ATOM 493 C PRO A 32 -5.723 3.764 7.231 1.00 0.00 C ATOM 494 O PRO A 32 -5.975 3.668 6.047 1.00 0.00 O ATOM 495 CB PRO A 32 -7.550 3.597 9.000 1.00 0.00 C ATOM 496 CG PRO A 32 -6.950 4.043 10.298 1.00 0.00 C ATOM 497 CD PRO A 32 -5.931 2.966 10.671 1.00 0.00 C ATOM 0 HA PRO A 32 -6.763 1.999 7.704 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.911 4.446 8.419 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.402 2.938 9.164 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.471 5.017 10.195 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.714 4.144 11.069 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.115 3.373 11.268 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.386 2.166 11.255 1.00 0.00 H new ATOM 505 N LYS A 33 -4.853 4.632 7.668 1.00 0.00 N ATOM 506 CA LYS A 33 -4.151 5.526 6.705 1.00 0.00 C ATOM 507 C LYS A 33 -3.452 4.668 5.651 1.00 0.00 C ATOM 508 O LYS A 33 -3.559 4.914 4.465 1.00 0.00 O ATOM 509 CB LYS A 33 -3.110 6.364 7.455 1.00 0.00 C ATOM 510 CG LYS A 33 -3.816 7.306 8.440 1.00 0.00 C ATOM 511 CD LYS A 33 -2.797 7.887 9.428 1.00 0.00 C ATOM 512 CE LYS A 33 -1.655 8.566 8.664 1.00 0.00 C ATOM 513 NZ LYS A 33 -2.211 9.334 7.515 1.00 0.00 N ATOM 0 H LYS A 33 -4.598 4.761 8.647 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.869 6.189 6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.421 5.711 7.991 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.516 6.942 6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.309 8.112 7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.593 6.765 8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.285 8.607 10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.400 7.094 10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.105 9.233 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.948 7.818 8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.592 10.143 7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.268 8.717 6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.162 9.679 7.756 1.00 0.00 H new ATOM 527 N GLU A 34 -2.744 3.655 6.073 1.00 0.00 N ATOM 528 CA GLU A 34 -2.046 2.776 5.095 1.00 0.00 C ATOM 529 C GLU A 34 -3.080 2.178 4.141 1.00 0.00 C ATOM 530 O GLU A 34 -2.846 2.059 2.955 1.00 0.00 O ATOM 531 CB GLU A 34 -1.317 1.653 5.847 1.00 0.00 C ATOM 532 CG GLU A 34 -0.534 0.767 4.867 1.00 0.00 C ATOM 533 CD GLU A 34 0.569 1.584 4.191 1.00 0.00 C ATOM 534 OE1 GLU A 34 0.278 2.225 3.195 1.00 0.00 O ATOM 535 OE2 GLU A 34 1.686 1.550 4.677 1.00 0.00 O ATOM 0 H GLU A 34 -2.620 3.399 7.053 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.317 3.354 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.636 2.082 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.038 1.048 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.098 -0.079 5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.208 0.358 4.115 1.00 0.00 H new ATOM 542 N TYR A 35 -4.225 1.803 4.645 1.00 0.00 N ATOM 543 CA TYR A 35 -5.273 1.217 3.760 1.00 0.00 C ATOM 544 C TYR A 35 -5.524 2.166 2.585 1.00 0.00 C ATOM 545 O TYR A 35 -5.846 1.743 1.492 1.00 0.00 O ATOM 546 CB TYR A 35 -6.570 1.025 4.560 1.00 0.00 C ATOM 547 CG TYR A 35 -7.532 0.139 3.784 1.00 0.00 C ATOM 548 CD1 TYR A 35 -8.224 0.651 2.674 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.734 -1.193 4.175 1.00 0.00 C ATOM 550 CE1 TYR A 35 -9.109 -0.171 1.960 1.00 0.00 C ATOM 551 CE2 TYR A 35 -8.618 -2.008 3.457 1.00 0.00 C ATOM 552 CZ TYR A 35 -9.301 -1.498 2.353 1.00 0.00 C ATOM 553 OH TYR A 35 -10.168 -2.307 1.650 1.00 0.00 O ATOM 0 H TYR A 35 -4.480 1.877 5.630 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.940 0.250 3.382 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.347 0.575 5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.032 1.992 4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.075 1.677 2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.207 -1.590 5.030 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.642 0.222 1.107 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.771 -3.034 3.759 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.627 -2.911 2.270 1.00 0.00 H new ATOM 563 N ALA A 36 -5.380 3.446 2.802 1.00 0.00 N ATOM 564 CA ALA A 36 -5.611 4.419 1.698 1.00 0.00 C ATOM 565 C ALA A 36 -4.431 4.372 0.724 1.00 0.00 C ATOM 566 O ALA A 36 -4.606 4.191 -0.465 1.00 0.00 O ATOM 567 CB ALA A 36 -5.745 5.828 2.280 1.00 0.00 C ATOM 0 H ALA A 36 -5.113 3.859 3.696 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.527 4.160 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.914 6.541 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.587 5.857 2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.830 6.091 2.810 1.00 0.00 H new ATOM 573 N LEU A 37 -3.227 4.515 1.216 1.00 0.00 N ATOM 574 CA LEU A 37 -2.050 4.456 0.305 1.00 0.00 C ATOM 575 C LEU A 37 -2.069 3.096 -0.397 1.00 0.00 C ATOM 576 O LEU A 37 -1.795 2.980 -1.575 1.00 0.00 O ATOM 577 CB LEU A 37 -0.752 4.599 1.117 1.00 0.00 C ATOM 578 CG LEU A 37 -0.528 6.064 1.531 1.00 0.00 C ATOM 579 CD1 LEU A 37 -1.533 6.475 2.615 1.00 0.00 C ATOM 580 CD2 LEU A 37 0.898 6.219 2.075 1.00 0.00 C ATOM 0 H LEU A 37 -3.011 4.669 2.201 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.094 5.265 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.801 3.968 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.094 4.250 0.525 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.670 6.705 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.360 7.514 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.547 6.367 2.231 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.406 5.837 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.064 7.255 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.030 5.569 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.615 5.943 1.301 1.00 0.00 H new ATOM 592 N LEU A 38 -2.395 2.069 0.336 1.00 0.00 N ATOM 593 CA LEU A 38 -2.445 0.701 -0.247 1.00 0.00 C ATOM 594 C LEU A 38 -3.599 0.622 -1.260 1.00 0.00 C ATOM 595 O LEU A 38 -3.468 0.066 -2.332 1.00 0.00 O ATOM 596 CB LEU A 38 -2.667 -0.306 0.905 1.00 0.00 C ATOM 597 CG LEU A 38 -2.058 -1.676 0.570 1.00 0.00 C ATOM 598 CD1 LEU A 38 -2.209 -2.594 1.787 1.00 0.00 C ATOM 599 CD2 LEU A 38 -2.777 -2.296 -0.641 1.00 0.00 C ATOM 0 H LEU A 38 -2.632 2.121 1.327 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.514 0.467 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.219 0.080 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.735 -0.416 1.095 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.003 -1.555 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.780 -3.570 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.689 -2.157 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.266 -2.709 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.336 -3.267 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.835 -2.423 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.670 -1.638 -1.504 1.00 0.00 H new ATOM 611 N SER A 39 -4.737 1.159 -0.913 1.00 0.00 N ATOM 612 CA SER A 39 -5.914 1.095 -1.829 1.00 0.00 C ATOM 613 C SER A 39 -5.531 1.518 -3.251 1.00 0.00 C ATOM 614 O SER A 39 -5.952 0.907 -4.214 1.00 0.00 O ATOM 615 CB SER A 39 -7.009 2.024 -1.305 1.00 0.00 C ATOM 616 OG SER A 39 -8.066 2.085 -2.254 1.00 0.00 O ATOM 0 H SER A 39 -4.904 1.642 -0.030 1.00 0.00 H new ATOM 0 HA SER A 39 -6.272 0.066 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.384 1.660 -0.348 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.604 3.021 -1.130 1.00 0.00 H new ATOM 0 HG SER A 39 -8.771 2.679 -1.921 1.00 0.00 H new ATOM 622 N ARG A 40 -4.737 2.546 -3.411 1.00 0.00 N ATOM 623 CA ARG A 40 -4.346 2.966 -4.792 1.00 0.00 C ATOM 624 C ARG A 40 -3.212 2.074 -5.294 1.00 0.00 C ATOM 625 O ARG A 40 -3.125 1.757 -6.464 1.00 0.00 O ATOM 626 CB ARG A 40 -3.882 4.428 -4.783 1.00 0.00 C ATOM 627 CG ARG A 40 -3.785 4.940 -6.225 1.00 0.00 C ATOM 628 CD ARG A 40 -3.035 6.272 -6.255 1.00 0.00 C ATOM 629 NE ARG A 40 -2.964 6.766 -7.660 1.00 0.00 N ATOM 630 CZ ARG A 40 -2.175 6.179 -8.519 1.00 0.00 C ATOM 631 NH1 ARG A 40 -1.441 5.166 -8.149 1.00 0.00 N ATOM 632 NH2 ARG A 40 -2.119 6.608 -9.751 1.00 0.00 N ATOM 0 H ARG A 40 -4.346 3.108 -2.655 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.208 2.869 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.582 5.040 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.913 4.511 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.269 4.208 -6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.784 5.065 -6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.543 7.003 -5.626 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.031 6.146 -5.850 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.532 7.562 -7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.483 4.831 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.826 4.709 -8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.691 7.401 -10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.503 6.150 -10.423 1.00 0.00 H new ATOM 646 N LEU A 41 -2.338 1.671 -4.416 1.00 0.00 N ATOM 647 CA LEU A 41 -1.205 0.804 -4.838 1.00 0.00 C ATOM 648 C LEU A 41 -1.754 -0.494 -5.430 1.00 0.00 C ATOM 649 O LEU A 41 -1.215 -1.034 -6.376 1.00 0.00 O ATOM 650 CB LEU A 41 -0.333 0.493 -3.618 1.00 0.00 C ATOM 651 CG LEU A 41 0.940 -0.257 -4.039 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.846 0.640 -4.914 1.00 0.00 C ATOM 653 CD2 LEU A 41 1.694 -0.687 -2.775 1.00 0.00 C ATOM 0 H LEU A 41 -2.360 1.905 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.605 1.315 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.064 1.420 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.897 -0.109 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 41 0.664 -1.131 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.740 0.086 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.304 0.940 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.133 1.527 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.601 -1.221 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.959 0.195 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.059 -1.341 -2.177 1.00 0.00 H new ATOM 665 N MET A 42 -2.826 -1.002 -4.883 1.00 0.00 N ATOM 666 CA MET A 42 -3.409 -2.265 -5.420 1.00 0.00 C ATOM 667 C MET A 42 -4.137 -1.967 -6.730 1.00 0.00 C ATOM 668 O MET A 42 -4.087 -2.736 -7.669 1.00 0.00 O ATOM 669 CB MET A 42 -4.395 -2.847 -4.404 1.00 0.00 C ATOM 670 CG MET A 42 -4.777 -4.273 -4.812 1.00 0.00 C ATOM 671 SD MET A 42 -3.362 -5.376 -4.557 1.00 0.00 S ATOM 672 CE MET A 42 -3.705 -5.802 -2.831 1.00 0.00 C ATOM 0 H MET A 42 -3.322 -0.598 -4.089 1.00 0.00 H new ATOM 0 HA MET A 42 -2.613 -2.987 -5.602 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.948 -2.851 -3.410 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.287 -2.223 -4.350 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.628 -4.615 -4.224 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.083 -4.293 -5.858 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.939 -6.487 -2.466 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.700 -4.896 -2.225 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.682 -6.280 -2.761 1.00 0.00 H new ATOM 682 N MET A 43 -4.810 -0.850 -6.801 1.00 0.00 N ATOM 683 CA MET A 43 -5.541 -0.495 -8.052 1.00 0.00 C ATOM 684 C MET A 43 -4.573 -0.592 -9.229 1.00 0.00 C ATOM 685 O MET A 43 -4.962 -0.843 -10.353 1.00 0.00 O ATOM 686 CB MET A 43 -6.079 0.935 -7.941 1.00 0.00 C ATOM 687 CG MET A 43 -7.055 1.207 -9.087 1.00 0.00 C ATOM 688 SD MET A 43 -7.444 2.974 -9.144 1.00 0.00 S ATOM 689 CE MET A 43 -8.181 3.102 -7.496 1.00 0.00 C ATOM 0 H MET A 43 -4.885 -0.168 -6.047 1.00 0.00 H new ATOM 0 HA MET A 43 -6.377 -1.178 -8.204 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.580 1.072 -6.983 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.255 1.648 -7.975 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.618 0.889 -10.034 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.967 0.627 -8.947 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.818 3.986 -7.450 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.779 2.213 -7.295 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.391 3.184 -6.750 1.00 0.00 H new ATOM 699 N LYS A 44 -3.305 -0.402 -8.960 1.00 0.00 N ATOM 700 CA LYS A 44 -2.255 -0.482 -10.027 1.00 0.00 C ATOM 701 C LYS A 44 -1.278 -1.610 -9.665 1.00 0.00 C ATOM 702 O LYS A 44 -0.077 -1.471 -9.785 1.00 0.00 O ATOM 703 CB LYS A 44 -1.511 0.865 -10.087 1.00 0.00 C ATOM 704 CG LYS A 44 -2.326 1.902 -10.897 1.00 0.00 C ATOM 705 CD LYS A 44 -2.030 1.766 -12.400 1.00 0.00 C ATOM 706 CE LYS A 44 -2.771 2.862 -13.169 1.00 0.00 C ATOM 707 NZ LYS A 44 -2.282 2.898 -14.576 1.00 0.00 N ATOM 0 H LYS A 44 -2.945 -0.191 -8.029 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.703 -0.689 -10.999 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.340 1.237 -9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.532 0.726 -10.545 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.391 1.758 -10.716 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.079 2.909 -10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.958 1.844 -12.578 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.342 0.784 -12.755 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.844 2.672 -13.150 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.610 3.829 -12.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.785 3.643 -15.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.262 3.098 -14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.458 1.978 -15.028 1.00 0.00 H new ATOM 721 N ALA A 45 -1.790 -2.726 -9.216 1.00 0.00 N ATOM 722 CA ALA A 45 -0.902 -3.861 -8.839 1.00 0.00 C ATOM 723 C ALA A 45 -0.212 -4.429 -10.083 1.00 0.00 C ATOM 724 O ALA A 45 -0.821 -4.608 -11.118 1.00 0.00 O ATOM 725 CB ALA A 45 -1.737 -4.962 -8.181 1.00 0.00 C ATOM 0 H ALA A 45 -2.788 -2.899 -9.094 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.144 -3.501 -8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.089 -5.794 -7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.221 -4.567 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.496 -5.311 -8.881 1.00 0.00 H new ATOM 731 N GLY A 46 1.061 -4.721 -9.980 1.00 0.00 N ATOM 732 CA GLY A 46 1.813 -5.288 -11.145 1.00 0.00 C ATOM 733 C GLY A 46 2.514 -4.163 -11.909 1.00 0.00 C ATOM 734 O GLY A 46 3.384 -4.407 -12.723 1.00 0.00 O ATOM 0 H GLY A 46 1.616 -4.591 -9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.547 -6.015 -10.797 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.129 -5.818 -11.808 1.00 0.00 H new ATOM 738 N SER A 47 2.143 -2.930 -11.648 1.00 0.00 N ATOM 739 CA SER A 47 2.777 -1.760 -12.343 1.00 0.00 C ATOM 740 C SER A 47 3.479 -0.894 -11.286 1.00 0.00 C ATOM 741 O SER A 47 3.074 -0.879 -10.142 1.00 0.00 O ATOM 742 CB SER A 47 1.678 -0.939 -13.031 1.00 0.00 C ATOM 743 OG SER A 47 1.105 -0.039 -12.091 1.00 0.00 O ATOM 0 H SER A 47 1.419 -2.681 -10.974 1.00 0.00 H new ATOM 0 HA SER A 47 3.498 -2.098 -13.087 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.094 -0.387 -13.873 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.911 -1.601 -13.432 1.00 0.00 H new ATOM 0 HG SER A 47 0.794 -0.539 -11.307 1.00 0.00 H new ATOM 749 N PRO A 48 4.524 -0.179 -11.643 1.00 0.00 N ATOM 750 CA PRO A 48 5.255 0.680 -10.665 1.00 0.00 C ATOM 751 C PRO A 48 4.466 1.945 -10.310 1.00 0.00 C ATOM 752 O PRO A 48 4.169 2.757 -11.164 1.00 0.00 O ATOM 753 CB PRO A 48 6.556 1.028 -11.409 1.00 0.00 C ATOM 754 CG PRO A 48 6.167 1.017 -12.854 1.00 0.00 C ATOM 755 CD PRO A 48 5.123 -0.099 -12.992 1.00 0.00 C ATOM 0 HA PRO A 48 5.422 0.179 -9.711 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.939 2.003 -11.107 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.340 0.300 -11.202 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.754 1.979 -13.156 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.031 0.827 -13.491 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.377 0.141 -13.749 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.581 -1.044 -13.284 1.00 0.00 H new ATOM 763 N VAL A 49 4.129 2.117 -9.052 1.00 0.00 N ATOM 764 CA VAL A 49 3.362 3.326 -8.618 1.00 0.00 C ATOM 765 C VAL A 49 4.303 4.300 -7.914 1.00 0.00 C ATOM 766 O VAL A 49 5.100 3.912 -7.085 1.00 0.00 O ATOM 767 CB VAL A 49 2.269 2.907 -7.635 1.00 0.00 C ATOM 768 CG1 VAL A 49 1.497 4.145 -7.162 1.00 0.00 C ATOM 769 CG2 VAL A 49 1.311 1.938 -8.326 1.00 0.00 C ATOM 0 H VAL A 49 4.356 1.464 -8.302 1.00 0.00 H new ATOM 0 HA VAL A 49 2.918 3.803 -9.492 1.00 0.00 H new ATOM 0 HB VAL A 49 2.724 2.418 -6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.719 3.843 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.182 4.834 -6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.041 4.639 -8.020 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.530 1.638 -7.627 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.858 2.427 -9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.861 1.057 -8.657 1.00 0.00 H new ATOM 779 N HIS A 50 4.207 5.567 -8.215 1.00 0.00 N ATOM 780 CA HIS A 50 5.093 6.551 -7.534 1.00 0.00 C ATOM 781 C HIS A 50 4.614 6.723 -6.087 1.00 0.00 C ATOM 782 O HIS A 50 3.463 7.011 -5.829 1.00 0.00 O ATOM 783 CB HIS A 50 5.047 7.897 -8.282 1.00 0.00 C ATOM 784 CG HIS A 50 6.283 8.706 -7.969 1.00 0.00 C ATOM 785 ND1 HIS A 50 6.723 8.912 -6.669 1.00 0.00 N ATOM 786 CD2 HIS A 50 7.183 9.359 -8.776 1.00 0.00 C ATOM 787 CE1 HIS A 50 7.839 9.662 -6.731 1.00 0.00 C ATOM 788 NE2 HIS A 50 8.159 9.960 -7.990 1.00 0.00 N ATOM 0 H HIS A 50 3.559 5.960 -8.897 1.00 0.00 H new ATOM 0 HA HIS A 50 6.123 6.194 -7.534 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.979 7.723 -9.356 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.156 8.453 -7.992 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.139 9.399 -9.854 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.404 9.982 -5.868 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.954 10.513 -8.310 1.00 0.00 H new ATOM 797 N ARG A 51 5.495 6.537 -5.147 1.00 0.00 N ATOM 798 CA ARG A 51 5.120 6.671 -3.713 1.00 0.00 C ATOM 799 C ARG A 51 4.575 8.072 -3.464 1.00 0.00 C ATOM 800 O ARG A 51 3.939 8.336 -2.462 1.00 0.00 O ATOM 801 CB ARG A 51 6.355 6.441 -2.838 1.00 0.00 C ATOM 802 CG ARG A 51 7.444 7.450 -3.212 1.00 0.00 C ATOM 803 CD ARG A 51 8.750 7.074 -2.510 1.00 0.00 C ATOM 804 NE ARG A 51 9.744 8.169 -2.694 1.00 0.00 N ATOM 805 CZ ARG A 51 9.610 9.290 -2.040 1.00 0.00 C ATOM 806 NH1 ARG A 51 8.603 9.456 -1.226 1.00 0.00 N ATOM 807 NH2 ARG A 51 10.482 10.248 -2.201 1.00 0.00 N ATOM 0 H ARG A 51 6.472 6.295 -5.313 1.00 0.00 H new ATOM 0 HA ARG A 51 4.358 5.933 -3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.092 6.547 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.725 5.425 -2.973 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.589 7.461 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.139 8.455 -2.921 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.570 6.906 -1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.140 6.142 -2.918 1.00 0.00 H new ATOM 0 HE ARG A 51 10.530 8.042 -3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.920 8.709 -1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.499 10.333 -0.715 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.268 10.120 -2.838 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.377 11.124 -1.690 1.00 0.00 H new ATOM 821 N GLU A 52 4.820 8.972 -4.370 1.00 0.00 N ATOM 822 CA GLU A 52 4.320 10.356 -4.193 1.00 0.00 C ATOM 823 C GLU A 52 2.795 10.359 -4.283 1.00 0.00 C ATOM 824 O GLU A 52 2.122 10.892 -3.428 1.00 0.00 O ATOM 825 CB GLU A 52 4.899 11.253 -5.290 1.00 0.00 C ATOM 826 CG GLU A 52 4.593 12.716 -4.967 1.00 0.00 C ATOM 827 CD GLU A 52 5.188 13.615 -6.053 1.00 0.00 C ATOM 828 OE1 GLU A 52 6.403 13.673 -6.144 1.00 0.00 O ATOM 829 OE2 GLU A 52 4.419 14.229 -6.773 1.00 0.00 O ATOM 0 H GLU A 52 5.347 8.807 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 52 4.628 10.733 -3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.976 11.104 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.471 10.986 -6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.515 12.868 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.009 12.979 -3.994 1.00 0.00 H new ATOM 836 N ILE A 53 2.245 9.762 -5.308 1.00 0.00 N ATOM 837 CA ILE A 53 0.761 9.737 -5.456 1.00 0.00 C ATOM 838 C ILE A 53 0.115 9.081 -4.235 1.00 0.00 C ATOM 839 O ILE A 53 -1.024 9.347 -3.909 1.00 0.00 O ATOM 840 CB ILE A 53 0.379 8.959 -6.717 1.00 0.00 C ATOM 841 CG1 ILE A 53 1.094 9.560 -7.933 1.00 0.00 C ATOM 842 CG2 ILE A 53 -1.135 9.049 -6.923 1.00 0.00 C ATOM 843 CD1 ILE A 53 0.917 8.636 -9.140 1.00 0.00 C ATOM 0 H ILE A 53 2.761 9.290 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 53 0.401 10.763 -5.538 1.00 0.00 H new ATOM 0 HB ILE A 53 0.676 7.916 -6.604 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.688 10.547 -8.155 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.154 9.692 -7.716 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.414 8.496 -7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.646 8.621 -6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.425 10.094 -7.035 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.426 9.064 -10.004 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.344 7.658 -8.916 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.145 8.526 -9.362 1.00 0.00 H new ATOM 855 N LEU A 54 0.831 8.238 -3.547 1.00 0.00 N ATOM 856 CA LEU A 54 0.244 7.590 -2.341 1.00 0.00 C ATOM 857 C LEU A 54 0.140 8.640 -1.232 1.00 0.00 C ATOM 858 O LEU A 54 -0.879 8.792 -0.597 1.00 0.00 O ATOM 859 CB LEU A 54 1.146 6.441 -1.883 1.00 0.00 C ATOM 860 CG LEU A 54 1.466 5.516 -3.066 1.00 0.00 C ATOM 861 CD1 LEU A 54 2.295 4.324 -2.566 1.00 0.00 C ATOM 862 CD2 LEU A 54 0.162 5.005 -3.707 1.00 0.00 C ATOM 0 H LEU A 54 1.791 7.970 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.743 7.190 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.070 6.839 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.654 5.875 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 54 2.032 6.072 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.525 3.664 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.223 4.686 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.726 3.774 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.401 4.350 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.415 4.451 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.424 5.852 -4.064 1.00 0.00 H new ATOM 874 N TYR A 55 1.196 9.363 -1.008 1.00 0.00 N ATOM 875 CA TYR A 55 1.174 10.411 0.059 1.00 0.00 C ATOM 876 C TYR A 55 -0.043 11.325 -0.159 1.00 0.00 C ATOM 877 O TYR A 55 -0.653 11.796 0.778 1.00 0.00 O ATOM 878 CB TYR A 55 2.474 11.239 0.003 1.00 0.00 C ATOM 879 CG TYR A 55 3.576 10.534 0.777 1.00 0.00 C ATOM 880 CD1 TYR A 55 3.500 10.457 2.174 1.00 0.00 C ATOM 881 CD2 TYR A 55 4.666 9.963 0.105 1.00 0.00 C ATOM 882 CE1 TYR A 55 4.511 9.811 2.896 1.00 0.00 C ATOM 883 CE2 TYR A 55 5.675 9.317 0.829 1.00 0.00 C ATOM 884 CZ TYR A 55 5.596 9.241 2.221 1.00 0.00 C ATOM 885 OH TYR A 55 6.593 8.606 2.932 1.00 0.00 O ATOM 0 H TYR A 55 2.077 9.278 -1.515 1.00 0.00 H new ATOM 0 HA TYR A 55 1.101 9.938 1.038 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.780 11.380 -1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.301 12.230 0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.661 10.896 2.694 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.727 10.022 -0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.453 9.753 3.973 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.515 8.877 0.311 1.00 0.00 H new ATOM 0 HH TYR A 55 6.321 8.518 3.869 1.00 0.00 H new ATOM 895 N ASN A 56 -0.397 11.563 -1.390 1.00 0.00 N ATOM 896 CA ASN A 56 -1.568 12.437 -1.694 1.00 0.00 C ATOM 897 C ASN A 56 -2.853 11.797 -1.155 1.00 0.00 C ATOM 898 O ASN A 56 -3.852 12.457 -0.951 1.00 0.00 O ATOM 899 CB ASN A 56 -1.679 12.618 -3.210 1.00 0.00 C ATOM 900 CG ASN A 56 -0.431 13.335 -3.734 1.00 0.00 C ATOM 901 OD1 ASN A 56 0.625 12.634 -4.056 1.00 0.00 O flip ATOM 902 ND2 ASN A 56 -0.415 14.544 -3.852 1.00 0.00 N flip ATOM 0 H ASN A 56 0.079 11.186 -2.209 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.430 13.407 -1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.784 11.648 -3.696 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.571 13.195 -3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.238 15.092 -3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.421 15.011 -4.202 1.00 0.00 H new ATOM 909 N ASP A 57 -2.830 10.513 -0.938 1.00 0.00 N ATOM 910 CA ASP A 57 -4.052 9.826 -0.424 1.00 0.00 C ATOM 911 C ASP A 57 -4.583 10.556 0.814 1.00 0.00 C ATOM 912 O ASP A 57 -5.741 10.918 0.878 1.00 0.00 O ATOM 913 CB ASP A 57 -3.733 8.372 -0.070 1.00 0.00 C ATOM 914 CG ASP A 57 -3.487 7.581 -1.356 1.00 0.00 C ATOM 915 OD1 ASP A 57 -2.895 8.139 -2.264 1.00 0.00 O ATOM 916 OD2 ASP A 57 -3.907 6.438 -1.416 1.00 0.00 O ATOM 0 H ASP A 57 -2.023 9.909 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.814 9.841 -1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.854 8.327 0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.559 7.932 0.489 1.00 0.00 H new ATOM 1089 N THR A 69 10.549 12.340 8.275 1.00 0.00 N ATOM 1090 CA THR A 69 9.156 12.223 8.796 1.00 0.00 C ATOM 1091 C THR A 69 8.346 11.296 7.889 1.00 0.00 C ATOM 1092 O THR A 69 8.045 10.171 8.239 1.00 0.00 O ATOM 1093 CB THR A 69 8.501 13.607 8.816 1.00 0.00 C ATOM 1094 OG1 THR A 69 9.354 14.524 9.490 1.00 0.00 O ATOM 1095 CG2 THR A 69 7.158 13.528 9.545 1.00 0.00 C ATOM 0 HA THR A 69 9.182 11.814 9.806 1.00 0.00 H new ATOM 0 HB THR A 69 8.338 13.946 7.793 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.289 14.275 9.336 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.693 14.514 9.559 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.504 12.825 9.028 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.319 13.189 10.568 1.00 0.00 H new ATOM 1103 N LEU A 70 7.989 11.763 6.728 1.00 0.00 N ATOM 1104 CA LEU A 70 7.197 10.933 5.789 1.00 0.00 C ATOM 1105 C LEU A 70 7.935 9.619 5.517 1.00 0.00 C ATOM 1106 O LEU A 70 7.361 8.554 5.601 1.00 0.00 O ATOM 1107 CB LEU A 70 7.016 11.715 4.479 1.00 0.00 C ATOM 1108 CG LEU A 70 5.939 12.798 4.649 1.00 0.00 C ATOM 1109 CD1 LEU A 70 6.407 13.869 5.648 1.00 0.00 C ATOM 1110 CD2 LEU A 70 5.667 13.447 3.288 1.00 0.00 C ATOM 0 H LEU A 70 8.216 12.697 6.387 1.00 0.00 H new ATOM 0 HA LEU A 70 6.222 10.704 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.961 12.174 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.733 11.034 3.677 1.00 0.00 H new ATOM 0 HG LEU A 70 5.027 12.340 5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.633 14.628 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.599 13.405 6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.322 14.334 5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.904 14.217 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.585 13.897 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.319 12.689 2.586 1.00 0.00 H new ATOM 1122 N GLU A 71 9.195 9.682 5.189 1.00 0.00 N ATOM 1123 CA GLU A 71 9.950 8.429 4.909 1.00 0.00 C ATOM 1124 C GLU A 71 9.933 7.529 6.145 1.00 0.00 C ATOM 1125 O GLU A 71 9.971 6.319 6.043 1.00 0.00 O ATOM 1126 CB GLU A 71 11.397 8.775 4.552 1.00 0.00 C ATOM 1127 CG GLU A 71 12.107 7.528 4.021 1.00 0.00 C ATOM 1128 CD GLU A 71 13.556 7.874 3.672 1.00 0.00 C ATOM 1129 OE1 GLU A 71 14.091 8.784 4.284 1.00 0.00 O ATOM 1130 OE2 GLU A 71 14.106 7.222 2.799 1.00 0.00 O ATOM 0 H GLU A 71 9.733 10.544 5.103 1.00 0.00 H new ATOM 0 HA GLU A 71 9.482 7.906 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.418 9.565 3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.918 9.156 5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.081 6.736 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.590 7.150 3.139 1.00 0.00 H new ATOM 1137 N VAL A 72 9.869 8.105 7.314 1.00 0.00 N ATOM 1138 CA VAL A 72 9.845 7.271 8.547 1.00 0.00 C ATOM 1139 C VAL A 72 8.504 6.550 8.637 1.00 0.00 C ATOM 1140 O VAL A 72 8.436 5.383 8.968 1.00 0.00 O ATOM 1141 CB VAL A 72 10.029 8.161 9.774 1.00 0.00 C ATOM 1142 CG1 VAL A 72 10.296 7.292 11.005 1.00 0.00 C ATOM 1143 CG2 VAL A 72 11.214 9.103 9.548 1.00 0.00 C ATOM 0 H VAL A 72 9.832 9.113 7.468 1.00 0.00 H new ATOM 0 HA VAL A 72 10.654 6.541 8.510 1.00 0.00 H new ATOM 0 HB VAL A 72 9.124 8.746 9.935 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.427 7.930 11.879 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.452 6.622 11.168 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.200 6.704 10.846 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.346 9.739 10.424 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.119 8.517 9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.023 9.725 8.674 1.00 0.00 H new ATOM 1153 N HIS A 73 7.434 7.229 8.322 1.00 0.00 N ATOM 1154 CA HIS A 73 6.099 6.568 8.367 1.00 0.00 C ATOM 1155 C HIS A 73 6.175 5.316 7.498 1.00 0.00 C ATOM 1156 O HIS A 73 5.626 4.281 7.816 1.00 0.00 O ATOM 1157 CB HIS A 73 5.032 7.517 7.815 1.00 0.00 C ATOM 1158 CG HIS A 73 4.859 8.678 8.755 1.00 0.00 C ATOM 1159 ND1 HIS A 73 5.935 9.280 9.395 1.00 0.00 N ATOM 1160 CD2 HIS A 73 3.743 9.360 9.176 1.00 0.00 C ATOM 1161 CE1 HIS A 73 5.448 10.277 10.157 1.00 0.00 C ATOM 1162 NE2 HIS A 73 4.120 10.365 10.059 1.00 0.00 N ATOM 0 H HIS A 73 7.427 8.208 8.037 1.00 0.00 H new ATOM 0 HA HIS A 73 5.834 6.309 9.392 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.324 7.875 6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.086 6.988 7.695 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.730 9.148 8.868 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.056 10.925 10.771 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.509 11.031 10.533 1.00 0.00 H new ATOM 1171 N ILE A 74 6.881 5.415 6.406 1.00 0.00 N ATOM 1172 CA ILE A 74 7.031 4.236 5.513 1.00 0.00 C ATOM 1173 C ILE A 74 7.819 3.171 6.263 1.00 0.00 C ATOM 1174 O ILE A 74 7.513 1.998 6.201 1.00 0.00 O ATOM 1175 CB ILE A 74 7.793 4.623 4.242 1.00 0.00 C ATOM 1176 CG1 ILE A 74 7.109 5.813 3.550 1.00 0.00 C ATOM 1177 CG2 ILE A 74 7.836 3.428 3.286 1.00 0.00 C ATOM 1178 CD1 ILE A 74 5.616 5.535 3.319 1.00 0.00 C ATOM 0 H ILE A 74 7.359 6.261 6.095 1.00 0.00 H new ATOM 0 HA ILE A 74 6.047 3.863 5.229 1.00 0.00 H new ATOM 0 HB ILE A 74 8.809 4.911 4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.225 6.708 4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.597 6.012 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.378 3.705 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.341 2.592 3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.819 3.135 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.158 6.394 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.503 4.653 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.126 5.360 4.277 1.00 0.00 H new ATOM 1190 N HIS A 75 8.837 3.571 6.972 1.00 0.00 N ATOM 1191 CA HIS A 75 9.646 2.574 7.722 1.00 0.00 C ATOM 1192 C HIS A 75 8.789 1.949 8.818 1.00 0.00 C ATOM 1193 O HIS A 75 8.833 0.755 9.050 1.00 0.00 O ATOM 1194 CB HIS A 75 10.862 3.261 8.346 1.00 0.00 C ATOM 1195 CG HIS A 75 11.672 2.250 9.111 1.00 0.00 C ATOM 1196 ND1 HIS A 75 12.915 1.814 8.675 1.00 0.00 N ATOM 1197 CD2 HIS A 75 11.430 1.579 10.285 1.00 0.00 C ATOM 1198 CE1 HIS A 75 13.371 0.920 9.574 1.00 0.00 C ATOM 1199 NE2 HIS A 75 12.503 0.743 10.572 1.00 0.00 N ATOM 0 H HIS A 75 9.142 4.540 7.064 1.00 0.00 H new ATOM 0 HA HIS A 75 9.987 1.795 7.040 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.473 3.719 7.568 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.539 4.062 9.011 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.543 1.685 10.892 1.00 0.00 H new ATOM 0 HE1 HIS A 75 14.320 0.410 9.497 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.605 0.124 11.376 1.00 0.00 H new ATOM 1208 N ASN A 76 8.005 2.739 9.494 1.00 0.00 N ATOM 1209 CA ASN A 76 7.148 2.174 10.570 1.00 0.00 C ATOM 1210 C ASN A 76 6.083 1.280 9.942 1.00 0.00 C ATOM 1211 O ASN A 76 5.808 0.194 10.414 1.00 0.00 O ATOM 1212 CB ASN A 76 6.474 3.313 11.339 1.00 0.00 C ATOM 1213 CG ASN A 76 7.523 4.063 12.162 1.00 0.00 C ATOM 1214 OD1 ASN A 76 8.717 4.244 11.667 1.00 0.00 O flip ATOM 1215 ND2 ASN A 76 7.253 4.489 13.267 1.00 0.00 N flip ATOM 0 H ASN A 76 7.921 3.745 9.349 1.00 0.00 H new ATOM 0 HA ASN A 76 7.759 1.589 11.258 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.985 3.996 10.644 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.699 2.915 11.994 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.320 4.348 13.654 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.959 4.988 13.808 1.00 0.00 H new ATOM 1222 N LEU A 77 5.473 1.735 8.886 1.00 0.00 N ATOM 1223 CA LEU A 77 4.413 0.921 8.226 1.00 0.00 C ATOM 1224 C LEU A 77 5.040 -0.289 7.536 1.00 0.00 C ATOM 1225 O LEU A 77 4.485 -1.368 7.544 1.00 0.00 O ATOM 1226 CB LEU A 77 3.687 1.773 7.182 1.00 0.00 C ATOM 1227 CG LEU A 77 2.905 2.910 7.865 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.472 3.931 6.806 1.00 0.00 C ATOM 1229 CD2 LEU A 77 1.654 2.358 8.589 1.00 0.00 C ATOM 0 H LEU A 77 5.662 2.637 8.449 1.00 0.00 H new ATOM 0 HA LEU A 77 3.705 0.581 8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.408 2.190 6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.004 1.149 6.605 1.00 0.00 H new ATOM 0 HG LEU A 77 3.551 3.386 8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.918 4.738 7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.354 4.339 6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.836 3.442 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.117 3.179 9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.002 1.868 7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.961 1.638 9.347 1.00 0.00 H new ATOM 1241 N ARG A 78 6.187 -0.124 6.933 1.00 0.00 N ATOM 1242 CA ARG A 78 6.834 -1.274 6.233 1.00 0.00 C ATOM 1243 C ARG A 78 6.861 -2.493 7.156 1.00 0.00 C ATOM 1244 O ARG A 78 6.496 -3.585 6.771 1.00 0.00 O ATOM 1245 CB ARG A 78 8.266 -0.895 5.845 1.00 0.00 C ATOM 1246 CG ARG A 78 8.925 -2.066 5.110 1.00 0.00 C ATOM 1247 CD ARG A 78 10.243 -1.601 4.487 1.00 0.00 C ATOM 1248 NE ARG A 78 10.981 -0.752 5.464 1.00 0.00 N ATOM 1249 CZ ARG A 78 11.573 -1.299 6.491 1.00 0.00 C ATOM 1250 NH1 ARG A 78 11.523 -2.592 6.660 1.00 0.00 N ATOM 1251 NH2 ARG A 78 12.213 -0.554 7.349 1.00 0.00 N ATOM 0 H ARG A 78 6.704 0.755 6.894 1.00 0.00 H new ATOM 0 HA ARG A 78 6.264 -1.515 5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.259 -0.010 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.840 -0.642 6.736 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.108 -2.887 5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.258 -2.445 4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.849 -2.462 4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.048 -1.038 3.574 1.00 0.00 H new ATOM 0 HE ARG A 78 11.024 0.258 5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.022 -3.175 5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.985 -3.020 7.462 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.251 0.457 7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.675 -0.982 8.151 1.00 0.00 H new ATOM 1265 N GLU A 79 7.297 -2.314 8.369 1.00 0.00 N ATOM 1266 CA GLU A 79 7.352 -3.463 9.315 1.00 0.00 C ATOM 1267 C GLU A 79 5.961 -4.086 9.462 1.00 0.00 C ATOM 1268 O GLU A 79 5.826 -5.254 9.767 1.00 0.00 O ATOM 1269 CB GLU A 79 7.837 -2.973 10.681 1.00 0.00 C ATOM 1270 CG GLU A 79 9.236 -2.369 10.540 1.00 0.00 C ATOM 1271 CD GLU A 79 9.769 -1.984 11.922 1.00 0.00 C ATOM 1272 OE1 GLU A 79 9.311 -2.564 12.893 1.00 0.00 O ATOM 1273 OE2 GLU A 79 10.625 -1.118 11.984 1.00 0.00 O ATOM 0 H GLU A 79 7.618 -1.423 8.748 1.00 0.00 H new ATOM 0 HA GLU A 79 8.041 -4.214 8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.147 -2.229 11.078 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.856 -3.801 11.390 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.907 -3.086 10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.201 -1.491 9.895 1.00 0.00 H new ATOM 1280 N LYS A 80 4.920 -3.317 9.266 1.00 0.00 N ATOM 1281 CA LYS A 80 3.544 -3.869 9.414 1.00 0.00 C ATOM 1282 C LYS A 80 3.151 -4.680 8.174 1.00 0.00 C ATOM 1283 O LYS A 80 2.530 -5.719 8.277 1.00 0.00 O ATOM 1284 CB LYS A 80 2.552 -2.719 9.602 1.00 0.00 C ATOM 1285 CG LYS A 80 2.969 -1.875 10.810 1.00 0.00 C ATOM 1286 CD LYS A 80 1.850 -0.894 11.161 1.00 0.00 C ATOM 1287 CE LYS A 80 2.291 -0.014 12.332 1.00 0.00 C ATOM 1288 NZ LYS A 80 2.403 -0.846 13.564 1.00 0.00 N ATOM 0 H LYS A 80 4.966 -2.331 9.010 1.00 0.00 H new ATOM 0 HA LYS A 80 3.523 -4.526 10.284 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.523 -2.100 8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.547 -3.113 9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.181 -2.521 11.662 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.887 -1.331 10.587 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.611 -0.274 10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.943 -1.439 11.423 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.249 0.454 12.108 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.572 0.790 12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.433 -0.227 14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.580 -1.479 13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.274 -1.413 13.522 1.00 0.00 H new ATOM 1302 N ILE A 81 3.489 -4.213 6.999 1.00 0.00 N ATOM 1303 CA ILE A 81 3.114 -4.957 5.758 1.00 0.00 C ATOM 1304 C ILE A 81 4.154 -6.033 5.450 1.00 0.00 C ATOM 1305 O ILE A 81 3.824 -7.112 4.997 1.00 0.00 O ATOM 1306 CB ILE A 81 3.038 -3.980 4.567 1.00 0.00 C ATOM 1307 CG1 ILE A 81 4.199 -2.977 4.630 1.00 0.00 C ATOM 1308 CG2 ILE A 81 1.713 -3.211 4.611 1.00 0.00 C ATOM 1309 CD1 ILE A 81 4.312 -2.236 3.291 1.00 0.00 C ATOM 0 H ILE A 81 4.008 -3.349 6.845 1.00 0.00 H new ATOM 0 HA ILE A 81 2.143 -5.427 5.916 1.00 0.00 H new ATOM 0 HB ILE A 81 3.103 -4.553 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.034 -2.265 5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.131 -3.498 4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.664 -2.522 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.882 -3.914 4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.649 -2.649 5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.136 -1.524 3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.497 -2.954 2.492 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.383 -1.702 3.091 1.00 0.00 H new ATOM 1321 N GLY A 82 5.407 -5.740 5.644 1.00 0.00 N ATOM 1322 CA GLY A 82 6.467 -6.730 5.310 1.00 0.00 C ATOM 1323 C GLY A 82 6.895 -6.471 3.867 1.00 0.00 C ATOM 1324 O GLY A 82 6.166 -6.747 2.935 1.00 0.00 O ATOM 0 H GLY A 82 5.745 -4.854 6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.315 -6.627 5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.092 -7.747 5.422 1.00 0.00 H new ATOM 1328 N LYS A 83 8.058 -5.911 3.684 1.00 0.00 N ATOM 1329 CA LYS A 83 8.550 -5.587 2.308 1.00 0.00 C ATOM 1330 C LYS A 83 8.271 -6.750 1.352 1.00 0.00 C ATOM 1331 O LYS A 83 8.269 -6.587 0.151 1.00 0.00 O ATOM 1332 CB LYS A 83 10.056 -5.321 2.357 1.00 0.00 C ATOM 1333 CG LYS A 83 10.776 -6.547 2.922 1.00 0.00 C ATOM 1334 CD LYS A 83 12.250 -6.213 3.152 1.00 0.00 C ATOM 1335 CE LYS A 83 13.006 -7.479 3.555 1.00 0.00 C ATOM 1336 NZ LYS A 83 14.380 -7.117 4.005 1.00 0.00 N ATOM 0 H LYS A 83 8.699 -5.659 4.436 1.00 0.00 H new ATOM 0 HA LYS A 83 8.027 -4.701 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.428 -5.097 1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.261 -4.448 2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.312 -6.855 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.686 -7.385 2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.684 -5.792 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.345 -5.457 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.474 -7.994 4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.058 -8.168 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.894 -7.979 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.886 -6.644 3.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.320 -6.475 4.821 1.00 0.00 H new ATOM 1350 N SER A 84 8.021 -7.917 1.866 1.00 0.00 N ATOM 1351 CA SER A 84 7.724 -9.061 0.966 1.00 0.00 C ATOM 1352 C SER A 84 6.439 -8.755 0.190 1.00 0.00 C ATOM 1353 O SER A 84 6.405 -8.804 -1.023 1.00 0.00 O ATOM 1354 CB SER A 84 7.533 -10.331 1.796 1.00 0.00 C ATOM 1355 OG SER A 84 7.231 -11.417 0.928 1.00 0.00 O ATOM 0 H SER A 84 8.009 -8.129 2.864 1.00 0.00 H new ATOM 0 HA SER A 84 8.550 -9.212 0.271 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.437 -10.546 2.366 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.727 -10.191 2.517 1.00 0.00 H new ATOM 0 HG SER A 84 7.109 -12.234 1.456 1.00 0.00 H new ATOM 1361 N ARG A 85 5.377 -8.455 0.889 1.00 0.00 N ATOM 1362 CA ARG A 85 4.079 -8.159 0.217 1.00 0.00 C ATOM 1363 C ARG A 85 4.244 -7.034 -0.818 1.00 0.00 C ATOM 1364 O ARG A 85 3.352 -6.778 -1.602 1.00 0.00 O ATOM 1365 CB ARG A 85 3.060 -7.733 1.289 1.00 0.00 C ATOM 1366 CG ARG A 85 1.632 -7.869 0.751 1.00 0.00 C ATOM 1367 CD ARG A 85 0.644 -7.307 1.774 1.00 0.00 C ATOM 1368 NE ARG A 85 0.777 -5.825 1.836 1.00 0.00 N ATOM 1369 CZ ARG A 85 0.320 -5.085 0.863 1.00 0.00 C ATOM 1370 NH1 ARG A 85 -0.253 -5.642 -0.169 1.00 0.00 N ATOM 1371 NH2 ARG A 85 0.435 -3.786 0.922 1.00 0.00 N ATOM 0 H ARG A 85 5.354 -8.402 1.907 1.00 0.00 H new ATOM 0 HA ARG A 85 3.732 -9.051 -0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.180 -8.350 2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.246 -6.701 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.536 -7.335 -0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.406 -8.916 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.375 -7.579 1.498 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.835 -7.741 2.756 1.00 0.00 H new ATOM 0 HE ARG A 85 1.226 -5.387 2.641 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.344 -6.657 -0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.610 -5.062 -0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.882 -3.350 1.728 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.078 -3.207 0.162 1.00 0.00 H new ATOM 1385 N ILE A 86 5.366 -6.353 -0.828 1.00 0.00 N ATOM 1386 CA ILE A 86 5.562 -5.234 -1.818 1.00 0.00 C ATOM 1387 C ILE A 86 7.013 -5.192 -2.305 1.00 0.00 C ATOM 1388 O ILE A 86 7.933 -4.984 -1.541 1.00 0.00 O ATOM 1389 CB ILE A 86 5.216 -3.899 -1.147 1.00 0.00 C ATOM 1390 CG1 ILE A 86 3.860 -4.031 -0.431 1.00 0.00 C ATOM 1391 CG2 ILE A 86 5.142 -2.789 -2.207 1.00 0.00 C ATOM 1392 CD1 ILE A 86 3.369 -2.658 0.055 1.00 0.00 C ATOM 0 H ILE A 86 6.152 -6.519 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 86 4.909 -5.405 -2.674 1.00 0.00 H new ATOM 0 HB ILE A 86 5.988 -3.643 -0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.126 -4.467 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.955 -4.710 0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.896 -1.842 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.105 -2.701 -2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.372 -3.035 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.409 -2.772 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.095 -2.237 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.254 -1.990 -0.798 1.00 0.00 H new ATOM 1404 N ARG A 87 7.218 -5.359 -3.586 1.00 0.00 N ATOM 1405 CA ARG A 87 8.603 -5.306 -4.146 1.00 0.00 C ATOM 1406 C ARG A 87 8.947 -3.851 -4.467 1.00 0.00 C ATOM 1407 O ARG A 87 8.185 -3.152 -5.106 1.00 0.00 O ATOM 1408 CB ARG A 87 8.668 -6.138 -5.428 1.00 0.00 C ATOM 1409 CG ARG A 87 8.479 -7.617 -5.089 1.00 0.00 C ATOM 1410 CD ARG A 87 8.743 -8.464 -6.337 1.00 0.00 C ATOM 1411 NE ARG A 87 10.195 -8.420 -6.668 1.00 0.00 N ATOM 1412 CZ ARG A 87 11.053 -9.080 -5.937 1.00 0.00 C ATOM 1413 NH1 ARG A 87 10.639 -9.780 -4.917 1.00 0.00 N ATOM 1414 NH2 ARG A 87 12.325 -9.039 -6.227 1.00 0.00 N ATOM 0 H ARG A 87 6.483 -5.531 -4.272 1.00 0.00 H new ATOM 0 HA ARG A 87 9.312 -5.706 -3.421 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.895 -5.812 -6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.627 -5.988 -5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.159 -7.908 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.466 -7.791 -4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.429 -9.493 -6.164 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.156 -8.089 -7.175 1.00 0.00 H new ATOM 0 HE ARG A 87 10.519 -7.874 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.645 -9.812 -4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.309 -10.295 -4.346 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.649 -8.492 -7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.995 -9.554 -5.656 1.00 0.00 H new ATOM 1428 N THR A 88 10.083 -3.381 -4.026 1.00 0.00 N ATOM 1429 CA THR A 88 10.466 -1.963 -4.305 1.00 0.00 C ATOM 1430 C THR A 88 11.040 -1.858 -5.720 1.00 0.00 C ATOM 1431 O THR A 88 11.934 -2.594 -6.089 1.00 0.00 O ATOM 1432 CB THR A 88 11.526 -1.508 -3.287 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.817 -1.865 -3.761 1.00 0.00 O ATOM 1434 CG2 THR A 88 11.278 -2.185 -1.934 1.00 0.00 C ATOM 0 H THR A 88 10.763 -3.915 -3.485 1.00 0.00 H new ATOM 0 HA THR A 88 9.585 -1.326 -4.222 1.00 0.00 H new ATOM 0 HB THR A 88 11.463 -0.427 -3.164 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.730 -2.523 -4.482 1.00 0.00 H new ATOM 0 HG21 THR A 88 12.033 -1.857 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.288 -1.913 -1.567 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.336 -3.267 -2.052 1.00 0.00 H new ATOM 1442 N VAL A 89 10.536 -0.940 -6.511 1.00 0.00 N ATOM 1443 CA VAL A 89 11.048 -0.763 -7.910 1.00 0.00 C ATOM 1444 C VAL A 89 11.937 0.479 -7.966 1.00 0.00 C ATOM 1445 O VAL A 89 11.468 1.579 -8.182 1.00 0.00 O ATOM 1446 CB VAL A 89 9.862 -0.579 -8.860 1.00 0.00 C ATOM 1447 CG1 VAL A 89 10.357 -0.611 -10.308 1.00 0.00 C ATOM 1448 CG2 VAL A 89 8.855 -1.710 -8.641 1.00 0.00 C ATOM 0 H VAL A 89 9.787 -0.301 -6.246 1.00 0.00 H new ATOM 0 HA VAL A 89 11.623 -1.640 -8.206 1.00 0.00 H new ATOM 0 HB VAL A 89 9.383 0.380 -8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.512 -0.480 -10.984 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.076 0.194 -10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.836 -1.569 -10.508 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.010 -1.580 -9.317 1.00 0.00 H new ATOM 0 HG22 VAL A 89 9.335 -2.668 -8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.502 -1.688 -7.610 1.00 0.00 H new ATOM 1509 N GLY A 93 9.259 4.207 -7.245 1.00 0.00 N ATOM 1510 CA GLY A 93 7.875 3.754 -6.921 1.00 0.00 C ATOM 1511 C GLY A 93 7.899 2.404 -6.201 1.00 0.00 C ATOM 1512 O GLY A 93 8.871 2.030 -5.575 1.00 0.00 O ATOM 0 HA2 GLY A 93 7.382 4.497 -6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.291 3.672 -7.837 1.00 0.00 H new ATOM 1516 N TYR A 94 6.817 1.671 -6.292 1.00 0.00 N ATOM 1517 CA TYR A 94 6.724 0.334 -5.630 1.00 0.00 C ATOM 1518 C TYR A 94 5.868 -0.565 -6.514 1.00 0.00 C ATOM 1519 O TYR A 94 5.269 -0.113 -7.464 1.00 0.00 O ATOM 1520 CB TYR A 94 6.059 0.486 -4.250 1.00 0.00 C ATOM 1521 CG TYR A 94 7.081 0.949 -3.237 1.00 0.00 C ATOM 1522 CD1 TYR A 94 7.417 2.302 -3.154 1.00 0.00 C ATOM 1523 CD2 TYR A 94 7.694 0.022 -2.384 1.00 0.00 C ATOM 1524 CE1 TYR A 94 8.364 2.732 -2.221 1.00 0.00 C ATOM 1525 CE2 TYR A 94 8.639 0.449 -1.450 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.976 1.806 -1.366 1.00 0.00 C ATOM 1527 OH TYR A 94 9.911 2.230 -0.444 1.00 0.00 O ATOM 0 H TYR A 94 5.981 1.948 -6.806 1.00 0.00 H new ATOM 0 HA TYR A 94 7.717 -0.096 -5.495 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.240 1.203 -4.308 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.628 -0.465 -3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.944 3.017 -3.812 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.435 -1.024 -2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.624 3.778 -2.159 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.110 -0.266 -0.792 1.00 0.00 H new ATOM 0 HH TYR A 94 10.236 1.461 0.070 1.00 0.00 H new ATOM 1537 N MET A 95 5.797 -1.832 -6.221 1.00 0.00 N ATOM 1538 CA MET A 95 4.969 -2.729 -7.085 1.00 0.00 C ATOM 1539 C MET A 95 4.682 -4.051 -6.373 1.00 0.00 C ATOM 1540 O MET A 95 5.513 -4.591 -5.670 1.00 0.00 O ATOM 1541 CB MET A 95 5.727 -2.990 -8.397 1.00 0.00 C ATOM 1542 CG MET A 95 5.009 -4.060 -9.242 1.00 0.00 C ATOM 1543 SD MET A 95 5.535 -5.710 -8.707 1.00 0.00 S ATOM 1544 CE MET A 95 7.006 -5.836 -9.754 1.00 0.00 C ATOM 0 H MET A 95 6.266 -2.283 -5.436 1.00 0.00 H new ATOM 0 HA MET A 95 4.015 -2.246 -7.296 1.00 0.00 H new ATOM 0 HB2 MET A 95 5.806 -2.064 -8.966 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.743 -3.317 -8.176 1.00 0.00 H new ATOM 0 HG2 MET A 95 3.929 -3.959 -9.134 1.00 0.00 H new ATOM 0 HG3 MET A 95 5.239 -3.919 -10.298 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.494 -6.795 -9.582 1.00 0.00 H new ATOM 0 HE2 MET A 95 6.715 -5.760 -10.802 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.696 -5.029 -9.510 1.00 0.00 H new ATOM 1554 N LEU A 96 3.498 -4.574 -6.564 1.00 0.00 N ATOM 1555 CA LEU A 96 3.118 -5.871 -5.919 1.00 0.00 C ATOM 1556 C LEU A 96 3.509 -7.025 -6.851 1.00 0.00 C ATOM 1557 O LEU A 96 3.225 -7.004 -8.032 1.00 0.00 O ATOM 1558 CB LEU A 96 1.594 -5.896 -5.681 1.00 0.00 C ATOM 1559 CG LEU A 96 1.245 -5.174 -4.376 1.00 0.00 C ATOM 1560 CD1 LEU A 96 1.692 -3.715 -4.458 1.00 0.00 C ATOM 1561 CD2 LEU A 96 -0.269 -5.231 -4.151 1.00 0.00 C ATOM 0 H LEU A 96 2.771 -4.156 -7.144 1.00 0.00 H new ATOM 0 HA LEU A 96 3.635 -5.976 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.081 -5.419 -6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.243 -6.927 -5.639 1.00 0.00 H new ATOM 0 HG LEU A 96 1.757 -5.662 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.442 -3.205 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.770 -3.673 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.184 -3.225 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.518 -4.717 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.779 -4.745 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.588 -6.271 -4.087 1.00 0.00 H new ATOM 1573 N ALA A 97 4.146 -8.035 -6.327 1.00 0.00 N ATOM 1574 CA ALA A 97 4.541 -9.188 -7.183 1.00 0.00 C ATOM 1575 C ALA A 97 3.295 -9.751 -7.870 1.00 0.00 C ATOM 1576 O ALA A 97 2.351 -10.159 -7.225 1.00 0.00 O ATOM 1577 CB ALA A 97 5.181 -10.273 -6.315 1.00 0.00 C ATOM 0 H ALA A 97 4.410 -8.112 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 97 5.258 -8.859 -7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.470 -11.117 -6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.064 -9.869 -5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.465 -10.607 -5.564 1.00 0.00 H new ATOM 1583 N ASN A 98 3.281 -9.770 -9.175 1.00 0.00 N ATOM 1584 CA ASN A 98 2.090 -10.301 -9.900 1.00 0.00 C ATOM 1585 C ASN A 98 1.976 -11.810 -9.670 1.00 0.00 C ATOM 1586 O ASN A 98 2.137 -12.601 -10.579 1.00 0.00 O ATOM 1587 CB ASN A 98 2.243 -10.025 -11.398 1.00 0.00 C ATOM 1588 CG ASN A 98 0.948 -10.403 -12.120 1.00 0.00 C ATOM 1589 OD1 ASN A 98 0.965 -11.174 -13.058 1.00 0.00 O ATOM 1590 ND2 ASN A 98 -0.183 -9.887 -11.719 1.00 0.00 N ATOM 0 H ASN A 98 4.041 -9.441 -9.770 1.00 0.00 H new ATOM 0 HA ASN A 98 1.191 -9.810 -9.526 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.470 -8.972 -11.563 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.078 -10.598 -11.801 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -1.052 -10.132 -12.194 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.197 -9.239 -10.931 1.00 0.00 H new