USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 768 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 132 THR OG1 : rot 72:sc= 1.99 USER MOD Set 1.2: B 27 SER OG : rot 13:sc= 0.942 USER MOD Set 2.1: A 74 CYS SG : rot -52:sc= -0.0733 USER MOD Set 2.2: A 78 THR OG1 : rot -28:sc= 2.04 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= 1.16 (180deg=1.1) USER MOD Single : A 63 ASN :FLIP amide:sc= -1.01 F(o=-2.9,f=-1) USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= -0.135 (180deg=-0.493) USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0.868) USER MOD Single : A 76 MET CE :methyl -134:sc= -0.388 (180deg=-2.33!) USER MOD Single : A 77 GLN : amide:sc= -1.91! C(o=-1.9!,f=-3.2!) USER MOD Single : A 81 HIS : no HE2:sc= -0.877 K(o=-0.88,f=-6.3!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0368 F(o=-0.88,f=-0.037) USER MOD Single : A 96 HIS : no HD1:sc= -0.977 K(o=-0.98,f=-4.5!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.109 USER MOD Single : A 102 SER OG : rot 73:sc= 1.26 USER MOD Single : A 106 CYS SG : rot 154:sc= 1.11 USER MOD Single : A 107 ASN : amide:sc= 1.04 K(o=1,f=-0.03) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -127:sc= -0.127 (180deg=-0.415) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN :FLIP amide:sc= -7.91! C(o=-10!,f=-7.9!) USER MOD Single : A 131 CYS SG : rot 134:sc= -2.31! USER MOD Single : A 135 LYS NZ :NH3+ -138:sc= 1.22 (180deg=0.583) USER MOD Single : A 137 HIS : no HD1:sc= -0.199 X(o=-0.2,f=0.042) USER MOD Single : A 138 SER OG : rot 79:sc= -1.14 USER MOD Single : B 29 SER OG : rot 180:sc= 0.0112 USER MOD Single : B 33 GLN : amide:sc= 0.404 X(o=0.4,f=-0.064) USER MOD Single : B 34 TYR OH : rot 20:sc= 0.225 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -15.083 6.259 -1.386 1.00 0.57 N ATOM 118 CA TYR A 59 -13.712 6.355 -0.941 1.00 0.44 C ATOM 119 C TYR A 59 -12.727 6.012 -2.041 1.00 0.41 C ATOM 120 O TYR A 59 -11.529 6.183 -1.865 1.00 0.42 O ATOM 121 CB TYR A 59 -13.534 5.405 0.225 1.00 0.66 C ATOM 122 CG TYR A 59 -14.565 5.625 1.288 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.525 6.718 2.146 1.00 1.06 C ATOM 124 CD2 TYR A 59 -15.589 4.731 1.416 1.00 1.04 C ATOM 125 CE1 TYR A 59 -15.501 6.896 3.110 1.00 1.30 C ATOM 126 CE2 TYR A 59 -16.574 4.903 2.357 1.00 1.27 C ATOM 127 CZ TYR A 59 -16.410 6.076 3.298 1.00 1.34 C ATOM 128 OH TYR A 59 -17.532 6.174 4.127 1.00 1.64 O ATOM 0 HA TYR A 59 -13.509 7.384 -0.646 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -13.595 4.377 -0.132 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -12.539 5.536 0.651 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -13.723 7.436 2.059 1.00 1.06 H new ATOM 0 HD2 TYR A 59 -15.625 3.871 0.764 1.00 1.04 H new ATOM 0 HE1 TYR A 59 -15.469 7.785 3.723 1.00 1.30 H new ATOM 0 HE2 TYR A 59 -17.421 4.236 2.422 1.00 1.27 H new ATOM 0 HH TYR A 59 -18.065 5.355 4.054 1.00 1.64 H new ATOM 138 N LYS A 60 -13.241 5.536 -3.170 1.00 0.42 N ATOM 139 CA LYS A 60 -12.402 5.090 -4.275 1.00 0.43 C ATOM 140 C LYS A 60 -11.362 6.150 -4.642 1.00 0.40 C ATOM 141 O LYS A 60 -10.169 5.936 -4.456 1.00 0.41 O ATOM 142 CB LYS A 60 -13.265 4.757 -5.492 1.00 0.52 C ATOM 143 CG LYS A 60 -12.488 4.104 -6.628 1.00 1.16 C ATOM 144 CD LYS A 60 -13.388 3.771 -7.807 1.00 1.35 C ATOM 145 CE LYS A 60 -13.937 5.022 -8.475 1.00 1.75 C ATOM 146 NZ LYS A 60 -12.901 5.750 -9.255 1.00 2.29 N ATOM 0 H LYS A 60 -14.242 5.449 -3.344 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.873 4.192 -3.956 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -14.071 4.091 -5.184 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.730 5.672 -5.859 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -11.692 4.773 -6.956 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -12.011 3.193 -6.266 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -12.828 3.186 -8.537 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.216 3.148 -7.467 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -14.759 4.747 -9.136 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -14.348 5.686 -7.715 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -13.362 6.411 -9.912 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -12.286 6.280 -8.605 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -12.330 5.068 -9.794 1.00 2.29 H new ATOM 160 N LEU A 61 -11.829 7.309 -5.103 1.00 0.45 N ATOM 161 CA LEU A 61 -10.940 8.393 -5.543 1.00 0.49 C ATOM 162 C LEU A 61 -9.979 8.799 -4.439 1.00 0.38 C ATOM 163 O LEU A 61 -8.831 9.163 -4.700 1.00 0.41 O ATOM 164 CB LEU A 61 -11.741 9.624 -5.966 1.00 0.62 C ATOM 165 CG LEU A 61 -12.759 10.128 -4.940 1.00 0.63 C ATOM 166 CD1 LEU A 61 -12.851 11.642 -4.990 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.126 9.517 -5.203 1.00 0.81 C ATOM 0 H LEU A 61 -12.822 7.526 -5.183 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.376 8.012 -6.395 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.044 10.432 -6.188 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -12.267 9.394 -6.892 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.425 9.826 -3.947 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.579 11.987 -4.255 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -11.876 12.073 -4.765 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -13.165 11.955 -5.986 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.838 9.886 -4.464 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.463 9.795 -6.202 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.059 8.431 -5.132 1.00 0.81 H new ATOM 179 N GLU A 62 -10.469 8.737 -3.212 1.00 0.33 N ATOM 180 CA GLU A 62 -9.676 9.056 -2.045 1.00 0.30 C ATOM 181 C GLU A 62 -8.386 8.269 -2.023 1.00 0.26 C ATOM 182 O GLU A 62 -7.313 8.853 -1.958 1.00 0.32 O ATOM 183 CB GLU A 62 -10.496 8.789 -0.786 1.00 0.41 C ATOM 184 CG GLU A 62 -11.302 9.987 -0.374 1.00 0.50 C ATOM 185 CD GLU A 62 -12.019 9.783 0.940 1.00 1.29 C ATOM 186 OE1 GLU A 62 -11.426 10.089 1.995 1.00 1.51 O ATOM 187 OE2 GLU A 62 -13.171 9.312 0.920 1.00 2.00 O ATOM 0 H GLU A 62 -11.429 8.464 -3.001 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.409 10.112 -2.083 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -11.164 7.946 -0.961 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.829 8.504 0.027 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.644 10.852 -0.294 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -12.033 10.213 -1.151 1.00 0.50 H new ATOM 194 N ASN A 63 -8.483 6.962 -2.138 1.00 0.24 N ATOM 195 CA ASN A 63 -7.293 6.123 -2.088 1.00 0.23 C ATOM 196 C ASN A 63 -6.597 6.084 -3.436 1.00 0.21 C ATOM 197 O ASN A 63 -5.419 5.760 -3.514 1.00 0.22 O ATOM 198 CB ASN A 63 -7.612 4.705 -1.614 1.00 0.33 C ATOM 199 CG ASN A 63 -8.701 4.030 -2.403 1.00 1.10 C ATOM 200 OD1 ASN A 63 -9.905 4.122 -1.888 1.00 2.24 O flip ATOM 201 ND2 ASN A 63 -8.460 3.410 -3.438 1.00 0.90 N flip ATOM 0 H ASN A 63 -9.360 6.457 -2.265 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.618 6.572 -1.359 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -6.707 4.101 -1.672 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.905 4.740 -0.565 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -7.506 3.369 -3.797 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -9.214 2.938 -3.937 1.00 0.90 H new ATOM 208 N GLU A 64 -7.320 6.423 -4.493 1.00 0.23 N ATOM 209 CA GLU A 64 -6.731 6.512 -5.813 1.00 0.29 C ATOM 210 C GLU A 64 -5.695 7.623 -5.861 1.00 0.29 C ATOM 211 O GLU A 64 -4.575 7.421 -6.331 1.00 0.35 O ATOM 212 CB GLU A 64 -7.820 6.746 -6.856 1.00 0.38 C ATOM 213 CG GLU A 64 -8.794 5.594 -6.970 1.00 0.41 C ATOM 214 CD GLU A 64 -9.710 5.714 -8.166 1.00 0.56 C ATOM 215 OE1 GLU A 64 -10.700 6.468 -8.088 1.00 0.69 O ATOM 216 OE2 GLU A 64 -9.454 5.036 -9.185 1.00 0.88 O ATOM 0 H GLU A 64 -8.316 6.640 -4.458 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.229 5.571 -6.038 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.368 7.653 -6.602 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.354 6.917 -7.826 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.237 4.659 -7.038 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.395 5.542 -6.062 1.00 0.41 H new ATOM 223 N LYS A 65 -6.069 8.794 -5.365 1.00 0.27 N ATOM 224 CA LYS A 65 -5.146 9.915 -5.293 1.00 0.30 C ATOM 225 C LYS A 65 -4.158 9.705 -4.173 1.00 0.23 C ATOM 226 O LYS A 65 -2.982 10.029 -4.274 1.00 0.30 O ATOM 227 CB LYS A 65 -5.899 11.190 -5.083 1.00 0.39 C ATOM 228 CG LYS A 65 -6.876 11.426 -6.189 1.00 0.65 C ATOM 229 CD LYS A 65 -6.246 11.196 -7.559 1.00 1.23 C ATOM 230 CE LYS A 65 -7.147 11.679 -8.685 1.00 2.14 C ATOM 231 NZ LYS A 65 -7.402 13.142 -8.595 1.00 2.98 N ATOM 0 H LYS A 65 -7.004 8.991 -5.007 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.600 9.980 -6.234 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.426 11.152 -4.130 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.200 12.024 -5.027 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -7.732 10.762 -6.066 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.253 12.447 -6.129 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -5.289 11.716 -7.611 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -6.039 10.134 -7.690 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -6.685 11.448 -9.645 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -8.094 11.141 -8.649 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -7.716 13.497 -9.521 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -8.141 13.323 -7.886 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -6.527 13.630 -8.316 1.00 2.98 H new ATOM 245 N LEU A 66 -4.673 9.159 -3.099 1.00 0.16 N ATOM 246 CA LEU A 66 -3.882 8.875 -1.919 1.00 0.15 C ATOM 247 C LEU A 66 -2.720 7.931 -2.207 1.00 0.15 C ATOM 248 O LEU A 66 -1.568 8.248 -1.910 1.00 0.18 O ATOM 249 CB LEU A 66 -4.780 8.274 -0.858 1.00 0.15 C ATOM 250 CG LEU A 66 -4.873 9.094 0.405 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.106 8.717 1.214 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.597 8.898 1.187 1.00 0.22 C ATOM 0 H LEU A 66 -5.655 8.897 -3.015 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.451 9.814 -1.572 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.781 8.149 -1.272 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.412 7.279 -0.607 1.00 0.15 H new ATOM 0 HG LEU A 66 -4.984 10.151 0.161 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.147 9.324 2.119 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.001 8.894 0.617 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.054 7.663 1.486 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.640 9.482 2.106 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.479 7.843 1.433 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.749 9.228 0.587 1.00 0.22 H new ATOM 264 N PHE A 67 -3.032 6.764 -2.758 1.00 0.14 N ATOM 265 CA PHE A 67 -2.025 5.759 -3.062 1.00 0.15 C ATOM 266 C PHE A 67 -0.895 6.339 -3.902 1.00 0.17 C ATOM 267 O PHE A 67 0.281 6.080 -3.637 1.00 0.20 O ATOM 268 CB PHE A 67 -2.655 4.576 -3.798 1.00 0.15 C ATOM 269 CG PHE A 67 -1.947 3.291 -3.537 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.820 2.935 -4.253 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.413 2.444 -2.558 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.170 1.745 -3.991 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.773 1.257 -2.289 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.648 0.904 -3.007 1.00 0.19 C ATOM 0 H PHE A 67 -3.983 6.491 -3.004 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.609 5.416 -2.115 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.698 4.479 -3.495 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.651 4.777 -4.869 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.445 3.592 -5.023 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.293 2.715 -1.993 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.710 1.473 -4.555 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.150 0.602 -1.517 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.143 -0.028 -2.799 1.00 0.19 H new ATOM 284 N GLU A 68 -1.245 7.138 -4.900 1.00 0.18 N ATOM 285 CA GLU A 68 -0.239 7.685 -5.789 1.00 0.23 C ATOM 286 C GLU A 68 0.627 8.723 -5.082 1.00 0.19 C ATOM 287 O GLU A 68 1.775 8.902 -5.463 1.00 0.24 O ATOM 288 CB GLU A 68 -0.846 8.269 -7.071 1.00 0.40 C ATOM 289 CG GLU A 68 -1.793 9.423 -6.845 1.00 0.54 C ATOM 290 CD GLU A 68 -2.158 10.135 -8.127 1.00 1.13 C ATOM 291 OE1 GLU A 68 -2.790 9.505 -9.000 1.00 1.39 O ATOM 292 OE2 GLU A 68 -1.839 11.333 -8.262 1.00 1.81 O ATOM 0 H GLU A 68 -2.203 7.417 -5.110 1.00 0.18 H new ATOM 0 HA GLU A 68 0.398 6.851 -6.083 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -0.038 8.601 -7.722 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.377 7.478 -7.600 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.701 9.055 -6.367 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.336 10.134 -6.156 1.00 0.54 H new ATOM 299 N GLU A 69 0.114 9.385 -4.037 1.00 0.19 N ATOM 300 CA GLU A 69 0.930 10.362 -3.319 1.00 0.22 C ATOM 301 C GLU A 69 2.122 9.664 -2.688 1.00 0.20 C ATOM 302 O GLU A 69 3.251 10.159 -2.723 1.00 0.28 O ATOM 303 CB GLU A 69 0.133 11.094 -2.244 1.00 0.26 C ATOM 304 CG GLU A 69 -1.041 11.862 -2.801 1.00 0.34 C ATOM 305 CD GLU A 69 -1.586 12.893 -1.839 1.00 1.02 C ATOM 306 OE1 GLU A 69 -2.198 12.490 -0.823 1.00 1.78 O ATOM 307 OE2 GLU A 69 -1.410 14.105 -2.082 1.00 1.31 O ATOM 0 H GLU A 69 -0.834 9.265 -3.681 1.00 0.19 H new ATOM 0 HA GLU A 69 1.269 11.105 -4.040 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.227 10.372 -1.511 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.793 11.782 -1.716 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -0.738 12.358 -3.723 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -1.835 11.162 -3.062 1.00 0.34 H new ATOM 314 N PHE A 70 1.851 8.490 -2.132 1.00 0.15 N ATOM 315 CA PHE A 70 2.883 7.639 -1.561 1.00 0.13 C ATOM 316 C PHE A 70 3.879 7.237 -2.641 1.00 0.13 C ATOM 317 O PHE A 70 5.085 7.264 -2.431 1.00 0.14 O ATOM 318 CB PHE A 70 2.227 6.400 -0.946 1.00 0.12 C ATOM 319 CG PHE A 70 3.136 5.562 -0.090 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.293 5.023 -0.610 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.806 5.288 1.224 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.110 4.224 0.157 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.622 4.495 2.006 1.00 0.11 C ATOM 324 CZ PHE A 70 4.775 3.958 1.470 1.00 0.11 C ATOM 0 H PHE A 70 0.910 8.103 -2.065 1.00 0.15 H new ATOM 0 HA PHE A 70 3.421 8.181 -0.783 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.376 6.718 -0.344 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.834 5.778 -1.750 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.563 5.231 -1.635 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.900 5.699 1.644 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.011 3.806 -0.267 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.359 4.295 3.034 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.413 3.332 2.076 1.00 0.11 H new ATOM 334 N LEU A 71 3.360 6.888 -3.802 1.00 0.14 N ATOM 335 CA LEU A 71 4.176 6.407 -4.898 1.00 0.15 C ATOM 336 C LEU A 71 5.035 7.494 -5.495 1.00 0.16 C ATOM 337 O LEU A 71 6.193 7.272 -5.823 1.00 0.18 O ATOM 338 CB LEU A 71 3.264 5.845 -5.953 1.00 0.17 C ATOM 339 CG LEU A 71 2.578 4.572 -5.529 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.672 4.090 -6.626 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.631 3.546 -5.190 1.00 0.16 C ATOM 0 H LEU A 71 2.363 6.930 -4.011 1.00 0.14 H new ATOM 0 HA LEU A 71 4.852 5.643 -4.514 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.509 6.590 -6.206 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.840 5.655 -6.858 1.00 0.17 H new ATOM 0 HG LEU A 71 1.962 4.747 -4.647 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.179 3.169 -6.313 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.920 4.850 -6.837 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.258 3.900 -7.525 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.149 2.618 -4.881 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.251 3.358 -6.066 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.254 3.919 -4.377 1.00 0.16 H new ATOM 353 N GLU A 72 4.453 8.657 -5.652 1.00 0.16 N ATOM 354 CA GLU A 72 5.163 9.799 -6.182 1.00 0.19 C ATOM 355 C GLU A 72 6.267 10.210 -5.225 1.00 0.18 C ATOM 356 O GLU A 72 7.315 10.710 -5.635 1.00 0.21 O ATOM 357 CB GLU A 72 4.178 10.917 -6.464 1.00 0.24 C ATOM 358 CG GLU A 72 3.144 10.492 -7.491 1.00 0.29 C ATOM 359 CD GLU A 72 3.741 10.315 -8.868 1.00 0.73 C ATOM 360 OE1 GLU A 72 4.396 11.250 -9.363 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.582 9.225 -9.453 1.00 1.17 O ATOM 0 H GLU A 72 3.477 8.841 -5.418 1.00 0.16 H new ATOM 0 HA GLU A 72 5.644 9.545 -7.127 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.678 11.207 -5.540 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.714 11.795 -6.825 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.684 9.556 -7.174 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.351 11.238 -7.535 1.00 0.29 H new ATOM 368 N LEU A 73 6.021 9.982 -3.947 1.00 0.16 N ATOM 369 CA LEU A 73 7.040 10.109 -2.933 1.00 0.16 C ATOM 370 C LEU A 73 8.048 8.969 -3.069 1.00 0.15 C ATOM 371 O LEU A 73 9.256 9.191 -3.036 1.00 0.18 O ATOM 372 CB LEU A 73 6.375 10.073 -1.560 1.00 0.16 C ATOM 373 CG LEU A 73 7.306 9.831 -0.379 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.520 11.111 0.407 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.730 8.733 0.494 1.00 0.16 C ATOM 0 H LEU A 73 5.108 9.704 -3.588 1.00 0.16 H new ATOM 0 HA LEU A 73 7.571 11.054 -3.052 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.858 11.019 -1.403 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.615 9.292 -1.566 1.00 0.16 H new ATOM 0 HG LEU A 73 8.282 9.511 -0.745 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.188 10.915 1.246 1.00 0.23 H new ATOM 0 HD12 LEU A 73 7.964 11.866 -0.242 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.562 11.472 0.782 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.393 8.556 1.341 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.748 9.035 0.859 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.634 7.817 -0.089 1.00 0.16 H new ATOM 387 N CYS A 74 7.539 7.751 -3.242 1.00 0.13 N ATOM 388 CA CYS A 74 8.375 6.572 -3.375 1.00 0.13 C ATOM 389 C CYS A 74 9.314 6.707 -4.576 1.00 0.15 C ATOM 390 O CYS A 74 10.455 6.266 -4.524 1.00 0.18 O ATOM 391 CB CYS A 74 7.485 5.331 -3.506 1.00 0.16 C ATOM 392 SG CYS A 74 8.352 3.759 -3.336 1.00 0.50 S ATOM 0 H CYS A 74 6.538 7.560 -3.293 1.00 0.13 H new ATOM 0 HA CYS A 74 8.996 6.468 -2.485 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.701 5.382 -2.750 1.00 0.16 H new ATOM 0 HB3 CYS A 74 6.992 5.355 -4.478 1.00 0.16 H new ATOM 0 HG CYS A 74 9.367 3.733 -4.148 1.00 0.50 H new ATOM 398 N LYS A 75 8.829 7.343 -5.647 1.00 0.18 N ATOM 399 CA LYS A 75 9.638 7.641 -6.813 1.00 0.22 C ATOM 400 C LYS A 75 10.900 8.423 -6.448 1.00 0.22 C ATOM 401 O LYS A 75 11.922 8.323 -7.127 1.00 0.26 O ATOM 402 CB LYS A 75 8.825 8.448 -7.810 1.00 0.28 C ATOM 403 CG LYS A 75 8.597 7.677 -9.075 1.00 0.57 C ATOM 404 CD LYS A 75 7.435 6.715 -8.952 1.00 0.61 C ATOM 405 CE LYS A 75 6.093 7.431 -9.005 1.00 0.38 C ATOM 406 NZ LYS A 75 5.862 8.120 -10.304 1.00 0.96 N ATOM 0 H LYS A 75 7.863 7.662 -5.721 1.00 0.18 H new ATOM 0 HA LYS A 75 9.942 6.690 -7.251 1.00 0.22 H new ATOM 0 HB2 LYS A 75 7.866 8.717 -7.368 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.344 9.379 -8.037 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.407 8.371 -9.893 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.501 7.123 -9.330 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.486 5.981 -9.756 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.516 6.167 -8.014 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.294 6.710 -8.833 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.043 8.161 -8.197 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.860 8.386 -10.383 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.452 8.975 -10.353 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 6.113 7.481 -11.085 1.00 0.96 H new ATOM 420 N MET A 76 10.822 9.199 -5.371 1.00 0.22 N ATOM 421 CA MET A 76 11.933 10.042 -4.952 1.00 0.26 C ATOM 422 C MET A 76 12.765 9.307 -3.920 1.00 0.25 C ATOM 423 O MET A 76 13.992 9.387 -3.907 1.00 0.32 O ATOM 424 CB MET A 76 11.428 11.351 -4.328 1.00 0.29 C ATOM 425 CG MET A 76 10.186 11.925 -4.980 1.00 0.27 C ATOM 426 SD MET A 76 9.737 13.545 -4.325 1.00 0.32 S ATOM 427 CE MET A 76 9.489 13.159 -2.591 1.00 0.35 C ATOM 0 H MET A 76 9.998 9.260 -4.773 1.00 0.22 H new ATOM 0 HA MET A 76 12.531 10.275 -5.833 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.221 11.178 -3.272 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.225 12.093 -4.379 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.350 12.005 -6.055 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.354 11.236 -4.835 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.564 13.620 -2.244 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.425 12.078 -2.464 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.327 13.543 -2.009 1.00 0.35 H new ATOM 437 N GLN A 77 12.075 8.582 -3.058 1.00 0.21 N ATOM 438 CA GLN A 77 12.702 7.912 -1.936 1.00 0.22 C ATOM 439 C GLN A 77 13.412 6.650 -2.391 1.00 0.21 C ATOM 440 O GLN A 77 14.624 6.513 -2.229 1.00 0.24 O ATOM 441 CB GLN A 77 11.642 7.550 -0.903 1.00 0.23 C ATOM 442 CG GLN A 77 10.780 8.713 -0.445 1.00 0.30 C ATOM 443 CD GLN A 77 11.462 9.635 0.540 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.678 9.823 0.514 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.669 10.205 1.430 1.00 0.48 N ATOM 0 H GLN A 77 11.066 8.442 -3.117 1.00 0.21 H new ATOM 0 HA GLN A 77 13.436 8.587 -1.496 1.00 0.22 H new ATOM 0 HB2 GLN A 77 10.995 6.778 -1.321 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.135 7.116 -0.033 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.476 9.291 -1.317 1.00 0.30 H new ATOM 0 HG3 GLN A 77 9.871 8.320 0.010 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.666 10.019 1.413 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.060 10.831 2.134 1.00 0.48 H new ATOM 454 N THR A 78 12.657 5.737 -2.983 1.00 0.18 N ATOM 455 CA THR A 78 13.214 4.494 -3.468 1.00 0.20 C ATOM 456 C THR A 78 13.745 4.689 -4.877 1.00 0.22 C ATOM 457 O THR A 78 13.505 3.884 -5.768 1.00 0.24 O ATOM 458 CB THR A 78 12.175 3.355 -3.446 1.00 0.20 C ATOM 459 OG1 THR A 78 11.109 3.630 -4.365 1.00 0.56 O ATOM 460 CG2 THR A 78 11.606 3.191 -2.050 1.00 0.42 C ATOM 0 H THR A 78 11.654 5.839 -3.137 1.00 0.18 H new ATOM 0 HA THR A 78 14.029 4.207 -2.803 1.00 0.20 H new ATOM 0 HB THR A 78 12.674 2.433 -3.744 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.009 4.599 -4.470 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.874 2.384 -2.048 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.411 2.952 -1.355 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.124 4.119 -1.742 1.00 0.42 H new ATOM 468 N ALA A 79 14.455 5.784 -5.068 1.00 0.25 N ATOM 469 CA ALA A 79 15.118 6.054 -6.327 1.00 0.30 C ATOM 470 C ALA A 79 16.255 5.059 -6.516 1.00 0.34 C ATOM 471 O ALA A 79 16.692 4.770 -7.634 1.00 0.42 O ATOM 472 CB ALA A 79 15.626 7.479 -6.332 1.00 0.32 C ATOM 0 H ALA A 79 14.587 6.506 -4.360 1.00 0.25 H new ATOM 0 HA ALA A 79 14.420 5.940 -7.156 1.00 0.30 H new ATOM 0 HB1 ALA A 79 16.125 7.684 -7.279 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.788 8.165 -6.208 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.331 7.617 -5.513 1.00 0.32 H new ATOM 478 N ASP A 80 16.713 4.536 -5.388 1.00 0.35 N ATOM 479 CA ASP A 80 17.720 3.489 -5.352 1.00 0.44 C ATOM 480 C ASP A 80 17.136 2.164 -5.851 1.00 0.38 C ATOM 481 O ASP A 80 17.848 1.315 -6.383 1.00 0.44 O ATOM 482 CB ASP A 80 18.241 3.348 -3.919 1.00 0.59 C ATOM 483 CG ASP A 80 19.198 2.192 -3.743 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.313 2.242 -4.299 1.00 1.68 O ATOM 485 OD2 ASP A 80 18.842 1.232 -3.035 1.00 2.29 O ATOM 0 H ASP A 80 16.393 4.830 -4.465 1.00 0.35 H new ATOM 0 HA ASP A 80 18.546 3.755 -6.011 1.00 0.44 H new ATOM 0 HB2 ASP A 80 18.741 4.272 -3.629 1.00 0.59 H new ATOM 0 HB3 ASP A 80 17.396 3.217 -3.243 1.00 0.59 H new ATOM 490 N HIS A 81 15.824 2.014 -5.706 1.00 0.35 N ATOM 491 CA HIS A 81 15.122 0.815 -6.168 1.00 0.39 C ATOM 492 C HIS A 81 13.725 1.166 -6.660 1.00 0.34 C ATOM 493 O HIS A 81 12.749 1.019 -5.923 1.00 0.30 O ATOM 494 CB HIS A 81 15.002 -0.240 -5.062 1.00 0.49 C ATOM 495 CG HIS A 81 16.215 -1.105 -4.895 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.435 -2.233 -5.651 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.258 -1.017 -4.044 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.563 -2.799 -5.274 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.085 -2.085 -4.297 1.00 1.12 N ATOM 0 H HIS A 81 15.219 2.710 -5.270 1.00 0.35 H new ATOM 0 HA HIS A 81 15.713 0.401 -6.985 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.797 0.264 -4.117 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.144 -0.877 -5.276 1.00 0.49 H new ATOM 0 HD1 HIS A 81 15.820 -2.577 -6.389 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.414 -0.249 -3.301 1.00 0.60 H new ATOM 0 HE1 HIS A 81 17.989 -3.698 -5.695 1.00 2.11 H new ATOM 508 N PRO A 82 13.605 1.633 -7.913 1.00 0.39 N ATOM 509 CA PRO A 82 12.315 2.011 -8.505 1.00 0.39 C ATOM 510 C PRO A 82 11.409 0.807 -8.795 1.00 0.35 C ATOM 511 O PRO A 82 10.560 0.860 -9.681 1.00 0.39 O ATOM 512 CB PRO A 82 12.723 2.700 -9.804 1.00 0.50 C ATOM 513 CG PRO A 82 14.029 2.095 -10.159 1.00 0.53 C ATOM 514 CD PRO A 82 14.719 1.851 -8.853 1.00 0.48 C ATOM 0 HA PRO A 82 11.728 2.635 -7.831 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.984 2.535 -10.588 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.810 3.778 -9.670 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.895 1.166 -10.713 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.612 2.762 -10.793 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.378 0.984 -8.903 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.333 2.702 -8.558 1.00 0.48 H new ATOM 522 N GLU A 83 11.613 -0.269 -8.048 1.00 0.29 N ATOM 523 CA GLU A 83 10.802 -1.474 -8.164 1.00 0.26 C ATOM 524 C GLU A 83 9.602 -1.400 -7.218 1.00 0.19 C ATOM 525 O GLU A 83 8.548 -1.978 -7.481 1.00 0.22 O ATOM 526 CB GLU A 83 11.657 -2.694 -7.828 1.00 0.33 C ATOM 527 CG GLU A 83 12.898 -2.818 -8.696 1.00 0.49 C ATOM 528 CD GLU A 83 13.919 -3.774 -8.117 1.00 1.32 C ATOM 529 OE1 GLU A 83 13.783 -4.997 -8.316 1.00 1.72 O ATOM 530 OE2 GLU A 83 14.872 -3.299 -7.460 1.00 2.05 O ATOM 0 H GLU A 83 12.347 -0.332 -7.343 1.00 0.29 H new ATOM 0 HA GLU A 83 10.432 -1.559 -9.186 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.958 -2.641 -6.782 1.00 0.33 H new ATOM 0 HB3 GLU A 83 11.053 -3.594 -7.940 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.609 -3.159 -9.690 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.353 -1.835 -8.816 1.00 0.49 H new ATOM 537 N VAL A 84 9.787 -0.680 -6.112 1.00 0.15 N ATOM 538 CA VAL A 84 8.764 -0.534 -5.078 1.00 0.11 C ATOM 539 C VAL A 84 7.445 0.005 -5.639 1.00 0.11 C ATOM 540 O VAL A 84 6.387 -0.599 -5.469 1.00 0.13 O ATOM 541 CB VAL A 84 9.228 0.453 -4.004 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.271 0.421 -2.843 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.654 0.171 -3.556 1.00 0.14 C ATOM 0 H VAL A 84 10.653 -0.181 -5.908 1.00 0.15 H new ATOM 0 HA VAL A 84 8.607 -1.530 -4.665 1.00 0.11 H new ATOM 0 HB VAL A 84 9.230 1.455 -4.433 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.602 1.124 -2.079 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.274 0.700 -3.185 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.242 -0.584 -2.423 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.945 0.893 -2.793 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.713 -0.836 -3.143 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.327 0.254 -4.410 1.00 0.14 H new ATOM 553 N VAL A 85 7.535 1.160 -6.283 1.00 0.11 N ATOM 554 CA VAL A 85 6.378 1.842 -6.872 1.00 0.13 C ATOM 555 C VAL A 85 5.564 0.918 -7.792 1.00 0.15 C ATOM 556 O VAL A 85 4.365 0.748 -7.574 1.00 0.16 O ATOM 557 CB VAL A 85 6.830 3.101 -7.643 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.645 3.951 -8.054 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.798 3.909 -6.799 1.00 0.15 C ATOM 0 H VAL A 85 8.415 1.658 -6.415 1.00 0.11 H new ATOM 0 HA VAL A 85 5.726 2.138 -6.050 1.00 0.13 H new ATOM 0 HB VAL A 85 7.337 2.778 -8.553 1.00 0.15 H new ATOM 0 HG11 VAL A 85 5.997 4.829 -8.595 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.986 3.369 -8.698 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.098 4.267 -7.166 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.111 4.795 -7.352 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.308 4.213 -5.874 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.671 3.301 -6.564 1.00 0.15 H new ATOM 569 N PRO A 86 6.184 0.306 -8.830 1.00 0.17 N ATOM 570 CA PRO A 86 5.490 -0.654 -9.702 1.00 0.20 C ATOM 571 C PRO A 86 4.887 -1.815 -8.918 1.00 0.18 C ATOM 572 O PRO A 86 3.830 -2.337 -9.278 1.00 0.20 O ATOM 573 CB PRO A 86 6.587 -1.165 -10.636 1.00 0.23 C ATOM 574 CG PRO A 86 7.622 -0.098 -10.629 1.00 0.22 C ATOM 575 CD PRO A 86 7.578 0.516 -9.258 1.00 0.17 C ATOM 0 HA PRO A 86 4.654 -0.188 -10.224 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.995 -2.113 -10.285 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.202 -1.336 -11.641 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.609 -0.511 -10.840 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.418 0.648 -11.397 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.283 0.034 -8.580 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.834 1.575 -9.284 1.00 0.17 H new ATOM 583 N PHE A 87 5.565 -2.219 -7.850 1.00 0.16 N ATOM 584 CA PHE A 87 5.073 -3.282 -6.987 1.00 0.15 C ATOM 585 C PHE A 87 3.776 -2.838 -6.308 1.00 0.14 C ATOM 586 O PHE A 87 2.747 -3.511 -6.417 1.00 0.16 O ATOM 587 CB PHE A 87 6.138 -3.647 -5.939 1.00 0.17 C ATOM 588 CG PHE A 87 5.834 -4.878 -5.121 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.609 -5.521 -5.212 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.786 -5.389 -4.255 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.338 -6.645 -4.459 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.521 -6.513 -3.499 1.00 0.25 C ATOM 593 CZ PHE A 87 5.295 -7.142 -3.601 1.00 0.38 C ATOM 0 H PHE A 87 6.460 -1.824 -7.562 1.00 0.16 H new ATOM 0 HA PHE A 87 4.866 -4.167 -7.588 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.091 -3.794 -6.448 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.265 -2.802 -5.262 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.855 -5.136 -5.883 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.747 -4.903 -4.170 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.379 -7.134 -4.542 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.272 -6.901 -2.827 1.00 0.25 H new ATOM 0 HZ PHE A 87 5.087 -8.021 -3.009 1.00 0.38 H new ATOM 603 N LEU A 88 3.825 -1.697 -5.629 1.00 0.12 N ATOM 604 CA LEU A 88 2.652 -1.161 -4.948 1.00 0.13 C ATOM 605 C LEU A 88 1.510 -0.932 -5.928 1.00 0.14 C ATOM 606 O LEU A 88 0.348 -1.198 -5.614 1.00 0.16 O ATOM 607 CB LEU A 88 2.993 0.145 -4.237 1.00 0.13 C ATOM 608 CG LEU A 88 3.990 0.022 -3.089 1.00 0.12 C ATOM 609 CD1 LEU A 88 4.013 1.311 -2.284 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.634 -1.172 -2.214 1.00 0.20 C ATOM 0 H LEU A 88 4.665 -1.125 -5.536 1.00 0.12 H new ATOM 0 HA LEU A 88 2.333 -1.895 -4.208 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.393 0.845 -4.970 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.071 0.580 -3.851 1.00 0.13 H new ATOM 0 HG LEU A 88 4.989 -0.143 -3.492 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.727 1.216 -1.466 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.309 2.138 -2.930 1.00 0.16 H new ATOM 0 HD13 LEU A 88 3.020 1.504 -1.878 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.352 -1.251 -1.397 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.632 -1.038 -1.805 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.663 -2.083 -2.812 1.00 0.20 H new ATOM 622 N TYR A 89 1.852 -0.456 -7.119 1.00 0.16 N ATOM 623 CA TYR A 89 0.863 -0.239 -8.170 1.00 0.20 C ATOM 624 C TYR A 89 0.153 -1.541 -8.493 1.00 0.21 C ATOM 625 O TYR A 89 -1.075 -1.618 -8.493 1.00 0.25 O ATOM 626 CB TYR A 89 1.522 0.277 -9.453 1.00 0.22 C ATOM 627 CG TYR A 89 1.409 1.764 -9.669 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.182 2.351 -9.941 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.531 2.575 -9.615 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.077 3.711 -10.153 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.437 3.936 -9.828 1.00 0.37 C ATOM 632 CZ TYR A 89 1.204 4.500 -10.095 1.00 0.43 C ATOM 633 OH TYR A 89 1.100 5.855 -10.308 1.00 0.54 O ATOM 0 H TYR A 89 2.807 -0.212 -7.382 1.00 0.16 H new ATOM 0 HA TYR A 89 0.154 0.503 -7.804 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.578 0.006 -9.437 1.00 0.22 H new ATOM 0 HB3 TYR A 89 1.075 -0.235 -10.305 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.704 1.735 -9.988 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.495 2.136 -9.403 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.885 4.154 -10.363 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.321 4.555 -9.786 1.00 0.37 H new ATOM 0 HH TYR A 89 1.986 6.267 -10.231 1.00 0.54 H new ATOM 643 N ASN A 90 0.957 -2.567 -8.729 1.00 0.19 N ATOM 644 CA ASN A 90 0.465 -3.867 -9.145 1.00 0.23 C ATOM 645 C ASN A 90 -0.409 -4.481 -8.070 1.00 0.22 C ATOM 646 O ASN A 90 -1.498 -4.983 -8.348 1.00 0.27 O ATOM 647 CB ASN A 90 1.639 -4.788 -9.430 1.00 0.27 C ATOM 648 CG ASN A 90 1.225 -6.020 -10.204 1.00 0.48 C ATOM 649 OD1 ASN A 90 1.228 -6.031 -11.434 1.00 1.33 O ATOM 650 ND2 ASN A 90 0.859 -7.067 -9.489 1.00 0.67 N ATOM 0 H ASN A 90 1.972 -2.519 -8.636 1.00 0.19 H new ATOM 0 HA ASN A 90 -0.132 -3.738 -10.048 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.396 -4.244 -9.994 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.098 -5.090 -8.489 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.565 -7.925 -9.955 1.00 0.67 H new ATOM 0 HD22 ASN A 90 0.870 -7.018 -8.470 1.00 0.67 H new ATOM 657 N ARG A 91 0.073 -4.427 -6.841 1.00 0.19 N ATOM 658 CA ARG A 91 -0.632 -5.018 -5.717 1.00 0.20 C ATOM 659 C ARG A 91 -1.979 -4.334 -5.497 1.00 0.20 C ATOM 660 O ARG A 91 -2.957 -4.990 -5.138 1.00 0.22 O ATOM 661 CB ARG A 91 0.232 -4.945 -4.454 1.00 0.22 C ATOM 662 CG ARG A 91 -0.388 -5.623 -3.242 1.00 0.26 C ATOM 663 CD ARG A 91 -0.805 -7.051 -3.548 1.00 0.36 C ATOM 664 NE ARG A 91 -0.228 -8.009 -2.603 1.00 0.80 N ATOM 665 CZ ARG A 91 0.461 -9.092 -2.970 1.00 0.73 C ATOM 666 NH1 ARG A 91 0.732 -9.309 -4.251 1.00 1.38 N ATOM 667 NH2 ARG A 91 0.908 -9.946 -2.057 1.00 1.25 N ATOM 0 H ARG A 91 0.955 -3.977 -6.595 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.826 -6.066 -5.943 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.199 -5.405 -4.660 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.421 -3.898 -4.215 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.327 -5.621 -2.419 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.256 -5.053 -2.911 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.892 -7.125 -3.519 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -0.495 -7.310 -4.560 1.00 0.36 H new ATOM 0 HE ARG A 91 -0.360 -7.839 -1.606 1.00 0.80 H new ATOM 0 HH11 ARG A 91 0.414 -8.647 -4.959 1.00 1.38 H new ATOM 0 HH12 ARG A 91 1.259 -10.138 -4.528 1.00 1.38 H new ATOM 0 HH21 ARG A 91 0.726 -9.777 -1.068 1.00 1.25 H new ATOM 0 HH22 ARG A 91 1.434 -10.771 -2.345 1.00 1.25 H new ATOM 681 N GLN A 92 -2.032 -3.024 -5.734 1.00 0.19 N ATOM 682 CA GLN A 92 -3.279 -2.274 -5.599 1.00 0.21 C ATOM 683 C GLN A 92 -4.288 -2.758 -6.628 1.00 0.24 C ATOM 684 O GLN A 92 -5.486 -2.816 -6.363 1.00 0.26 O ATOM 685 CB GLN A 92 -3.043 -0.774 -5.786 1.00 0.23 C ATOM 686 CG GLN A 92 -4.190 0.081 -5.263 1.00 0.34 C ATOM 687 CD GLN A 92 -4.284 1.436 -5.934 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.294 1.981 -6.421 1.00 0.71 O ATOM 689 NE2 GLN A 92 -5.481 1.998 -5.947 1.00 0.78 N ATOM 0 H GLN A 92 -1.230 -2.463 -6.019 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.667 -2.442 -4.594 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.123 -0.490 -5.274 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.895 -0.565 -6.846 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.128 -0.454 -5.409 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.067 0.223 -4.189 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -6.277 1.513 -5.532 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -5.609 2.917 -6.372 1.00 0.78 H new ATOM 698 N GLN A 93 -3.782 -3.114 -7.801 1.00 0.26 N ATOM 699 CA GLN A 93 -4.624 -3.568 -8.900 1.00 0.32 C ATOM 700 C GLN A 93 -5.150 -4.966 -8.611 1.00 0.34 C ATOM 701 O GLN A 93 -6.197 -5.366 -9.112 1.00 0.40 O ATOM 702 CB GLN A 93 -3.846 -3.585 -10.224 1.00 0.36 C ATOM 703 CG GLN A 93 -3.155 -2.280 -10.576 1.00 0.38 C ATOM 704 CD GLN A 93 -4.071 -1.088 -10.503 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.081 -0.451 -9.354 1.00 0.71 O flip ATOM 706 NE2 GLN A 93 -4.743 -0.730 -11.471 1.00 0.57 N flip ATOM 0 H GLN A 93 -2.785 -3.097 -8.017 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.457 -2.871 -8.993 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -3.097 -4.375 -10.178 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.533 -3.844 -11.029 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.315 -2.127 -9.899 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.744 -2.354 -11.583 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -4.702 -1.257 -12.343 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -5.340 0.094 -11.401 1.00 0.57 H new ATOM 715 N ARG A 94 -4.408 -5.708 -7.800 1.00 0.33 N ATOM 716 CA ARG A 94 -4.788 -7.069 -7.456 1.00 0.38 C ATOM 717 C ARG A 94 -5.665 -7.083 -6.212 1.00 0.32 C ATOM 718 O ARG A 94 -6.089 -8.144 -5.746 1.00 0.46 O ATOM 719 CB ARG A 94 -3.554 -7.937 -7.228 1.00 0.47 C ATOM 720 CG ARG A 94 -2.563 -7.899 -8.376 1.00 0.70 C ATOM 721 CD ARG A 94 -3.194 -8.304 -9.698 1.00 0.95 C ATOM 722 NE ARG A 94 -2.191 -8.398 -10.760 1.00 1.67 N ATOM 723 CZ ARG A 94 -2.377 -7.990 -12.016 1.00 2.40 C ATOM 724 NH1 ARG A 94 -3.547 -7.491 -12.402 1.00 2.73 N ATOM 725 NH2 ARG A 94 -1.388 -8.088 -12.894 1.00 3.24 N ATOM 0 H ARG A 94 -3.540 -5.389 -7.369 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.354 -7.479 -8.293 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -3.054 -7.610 -6.316 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.870 -8.968 -7.066 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.152 -6.893 -8.465 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.729 -8.565 -8.155 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -3.697 -9.264 -9.584 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -3.956 -7.576 -9.978 1.00 0.95 H new ATOM 0 HE ARG A 94 -1.286 -8.804 -10.523 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -4.315 -7.417 -11.735 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -3.677 -7.182 -13.365 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -0.488 -8.475 -12.608 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -1.527 -7.777 -13.855 1.00 3.24 H new ATOM 739 N ALA A 95 -5.911 -5.902 -5.665 1.00 0.28 N ATOM 740 CA ALA A 95 -6.755 -5.754 -4.496 1.00 0.25 C ATOM 741 C ALA A 95 -8.187 -5.468 -4.927 1.00 0.26 C ATOM 742 O ALA A 95 -8.425 -4.661 -5.822 1.00 0.36 O ATOM 743 CB ALA A 95 -6.215 -4.639 -3.607 1.00 0.25 C ATOM 0 H ALA A 95 -5.531 -5.024 -6.020 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.750 -6.680 -3.922 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.853 -4.532 -2.730 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -5.201 -4.885 -3.291 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -6.204 -3.702 -4.164 1.00 0.25 H new ATOM 749 N HIS A 96 -9.134 -6.159 -4.303 1.00 0.29 N ATOM 750 CA HIS A 96 -10.545 -6.014 -4.638 1.00 0.29 C ATOM 751 C HIS A 96 -11.030 -4.602 -4.319 1.00 0.27 C ATOM 752 O HIS A 96 -10.697 -4.037 -3.273 1.00 0.29 O ATOM 753 CB HIS A 96 -11.380 -7.047 -3.876 1.00 0.33 C ATOM 754 CG HIS A 96 -12.771 -7.195 -4.408 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.808 -6.431 -3.932 1.00 0.38 N ATOM 756 CD2 HIS A 96 -13.234 -8.013 -5.384 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.872 -6.798 -4.626 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.573 -7.753 -5.517 1.00 0.50 N ATOM 0 H HIS A 96 -8.948 -6.830 -3.557 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.665 -6.186 -5.708 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.877 -8.013 -3.920 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.429 -6.760 -2.826 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.658 -8.732 -5.949 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.859 -6.380 -4.491 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -15.218 -8.200 -6.169 1.00 0.50 H new ATOM 766 N SER A 97 -11.843 -4.060 -5.216 1.00 0.32 N ATOM 767 CA SER A 97 -12.246 -2.662 -5.174 1.00 0.37 C ATOM 768 C SER A 97 -13.130 -2.316 -3.973 1.00 0.33 C ATOM 769 O SER A 97 -13.279 -1.141 -3.640 1.00 0.39 O ATOM 770 CB SER A 97 -12.963 -2.317 -6.479 1.00 0.48 C ATOM 771 OG SER A 97 -13.693 -3.436 -6.965 1.00 1.46 O ATOM 0 H SER A 97 -12.243 -4.581 -5.997 1.00 0.32 H new ATOM 0 HA SER A 97 -11.342 -2.064 -5.059 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.640 -1.478 -6.317 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.235 -1.999 -7.226 1.00 0.48 H new ATOM 0 HG SER A 97 -14.146 -3.194 -7.800 1.00 1.46 H new ATOM 777 N LEU A 98 -13.701 -3.318 -3.312 1.00 0.29 N ATOM 778 CA LEU A 98 -14.603 -3.056 -2.200 1.00 0.32 C ATOM 779 C LEU A 98 -13.857 -2.510 -0.991 1.00 0.35 C ATOM 780 O LEU A 98 -14.250 -1.488 -0.429 1.00 0.43 O ATOM 781 CB LEU A 98 -15.388 -4.309 -1.825 1.00 0.35 C ATOM 782 CG LEU A 98 -16.614 -4.579 -2.699 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.380 -5.787 -2.184 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.514 -3.351 -2.743 1.00 0.67 C ATOM 0 H LEU A 98 -13.557 -4.305 -3.524 1.00 0.29 H new ATOM 0 HA LEU A 98 -15.309 -2.293 -2.528 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.721 -5.170 -1.881 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.710 -4.223 -0.787 1.00 0.35 H new ATOM 0 HG LEU A 98 -16.277 -4.795 -3.713 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -18.249 -5.964 -2.818 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.732 -6.664 -2.203 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.709 -5.601 -1.162 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -18.382 -3.558 -3.369 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.844 -3.106 -1.734 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.960 -2.509 -3.158 1.00 0.67 H new ATOM 796 N PHE A 99 -12.783 -3.180 -0.594 1.00 0.32 N ATOM 797 CA PHE A 99 -11.969 -2.694 0.512 1.00 0.34 C ATOM 798 C PHE A 99 -11.349 -1.356 0.159 1.00 0.34 C ATOM 799 O PHE A 99 -11.301 -0.448 0.992 1.00 0.39 O ATOM 800 CB PHE A 99 -10.867 -3.685 0.880 1.00 0.36 C ATOM 801 CG PHE A 99 -9.856 -3.117 1.842 1.00 0.31 C ATOM 802 CD1 PHE A 99 -10.205 -2.841 3.153 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.558 -2.850 1.429 1.00 0.38 C ATOM 804 CE1 PHE A 99 -9.280 -2.315 4.033 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.633 -2.325 2.307 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.994 -2.057 3.610 1.00 0.58 C ATOM 0 H PHE A 99 -12.458 -4.050 -1.015 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.626 -2.579 1.374 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.319 -4.574 1.320 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.356 -4.004 -0.028 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -11.211 -3.039 3.491 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.269 -3.056 0.409 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.565 -2.106 5.054 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.626 -2.124 1.974 1.00 0.49 H new ATOM 0 HZ PHE A 99 -7.270 -1.646 4.298 1.00 0.58 H new ATOM 816 N LEU A 100 -10.869 -1.242 -1.073 1.00 0.31 N ATOM 817 CA LEU A 100 -10.304 0.007 -1.540 1.00 0.36 C ATOM 818 C LEU A 100 -11.323 1.133 -1.384 1.00 0.45 C ATOM 819 O LEU A 100 -11.037 2.140 -0.751 1.00 0.79 O ATOM 820 CB LEU A 100 -9.865 -0.128 -2.999 1.00 0.37 C ATOM 821 CG LEU A 100 -9.004 -1.359 -3.301 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.676 -1.429 -4.780 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.727 -1.352 -2.475 1.00 0.70 C ATOM 0 H LEU A 100 -10.862 -1.997 -1.759 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.428 0.249 -0.938 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.754 -0.160 -3.629 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -9.307 0.765 -3.280 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.578 -2.244 -3.028 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -8.064 -2.309 -4.976 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.600 -1.494 -5.355 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -8.128 -0.534 -5.074 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -7.136 -2.237 -2.711 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -7.149 -0.458 -2.707 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.980 -1.356 -1.415 1.00 0.70 H new ATOM 835 N ALA A 101 -12.546 0.926 -1.872 1.00 0.28 N ATOM 836 CA ALA A 101 -13.593 1.942 -1.755 1.00 0.33 C ATOM 837 C ALA A 101 -14.216 1.940 -0.359 1.00 0.36 C ATOM 838 O ALA A 101 -15.433 2.063 -0.203 1.00 0.57 O ATOM 839 CB ALA A 101 -14.664 1.746 -2.821 1.00 0.36 C ATOM 0 H ALA A 101 -12.835 0.072 -2.348 1.00 0.28 H new ATOM 0 HA ALA A 101 -13.127 2.915 -1.913 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -15.430 2.514 -2.712 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -14.212 1.822 -3.810 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -15.117 0.762 -2.705 1.00 0.36 H new ATOM 845 N SER A 102 -13.370 1.806 0.650 1.00 0.34 N ATOM 846 CA SER A 102 -13.787 1.871 2.037 1.00 0.36 C ATOM 847 C SER A 102 -12.858 2.812 2.798 1.00 0.36 C ATOM 848 O SER A 102 -11.645 2.822 2.572 1.00 0.46 O ATOM 849 CB SER A 102 -13.759 0.472 2.662 1.00 0.40 C ATOM 850 OG SER A 102 -14.631 -0.412 1.976 1.00 1.39 O ATOM 0 H SER A 102 -12.370 1.648 0.526 1.00 0.34 H new ATOM 0 HA SER A 102 -14.807 2.251 2.093 1.00 0.36 H new ATOM 0 HB2 SER A 102 -12.743 0.079 2.635 1.00 0.40 H new ATOM 0 HB3 SER A 102 -14.050 0.533 3.711 1.00 0.40 H new ATOM 0 HG SER A 102 -14.241 -0.649 1.109 1.00 1.39 H new ATOM 856 N ALA A 103 -13.446 3.619 3.686 1.00 0.35 N ATOM 857 CA ALA A 103 -12.701 4.594 4.487 1.00 0.36 C ATOM 858 C ALA A 103 -11.565 3.949 5.254 1.00 0.29 C ATOM 859 O ALA A 103 -10.604 4.615 5.632 1.00 0.30 O ATOM 860 CB ALA A 103 -13.625 5.290 5.465 1.00 0.44 C ATOM 0 H ALA A 103 -14.449 3.615 3.869 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.278 5.319 3.792 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.057 6.011 6.052 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.412 5.808 4.917 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.073 4.552 6.131 1.00 0.44 H new ATOM 866 N GLU A 104 -11.697 2.659 5.504 1.00 0.29 N ATOM 867 CA GLU A 104 -10.672 1.911 6.193 1.00 0.30 C ATOM 868 C GLU A 104 -9.341 2.037 5.458 1.00 0.26 C ATOM 869 O GLU A 104 -8.342 2.456 6.037 1.00 0.30 O ATOM 870 CB GLU A 104 -11.088 0.449 6.303 1.00 0.39 C ATOM 871 CG GLU A 104 -10.019 -0.446 6.897 1.00 0.49 C ATOM 872 CD GLU A 104 -10.575 -1.759 7.404 1.00 1.02 C ATOM 873 OE1 GLU A 104 -10.915 -2.617 6.568 1.00 1.81 O ATOM 874 OE2 GLU A 104 -10.657 -1.949 8.634 1.00 1.15 O ATOM 0 H GLU A 104 -12.512 2.108 5.236 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.547 2.317 7.197 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -11.987 0.381 6.915 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.349 0.079 5.311 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -9.257 -0.645 6.143 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.527 0.077 7.717 1.00 0.49 H new ATOM 881 N PHE A 105 -9.346 1.712 4.171 1.00 0.22 N ATOM 882 CA PHE A 105 -8.137 1.785 3.367 1.00 0.20 C ATOM 883 C PHE A 105 -7.657 3.228 3.249 1.00 0.19 C ATOM 884 O PHE A 105 -6.453 3.491 3.235 1.00 0.16 O ATOM 885 CB PHE A 105 -8.377 1.183 1.983 1.00 0.21 C ATOM 886 CG PHE A 105 -7.133 1.118 1.148 1.00 0.18 C ATOM 887 CD1 PHE A 105 -6.004 0.486 1.632 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.089 1.693 -0.111 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.849 0.427 0.882 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.936 1.636 -0.872 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.815 1.004 -0.374 1.00 0.16 C ATOM 0 H PHE A 105 -10.173 1.396 3.664 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.359 1.205 3.863 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.785 0.179 2.096 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.128 1.775 1.460 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.027 0.032 2.612 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.964 2.191 -0.502 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.973 -0.068 1.274 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.913 2.085 -1.854 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.912 0.960 -0.965 1.00 0.16 H new ATOM 901 N CYS A 106 -8.605 4.157 3.159 1.00 0.27 N ATOM 902 CA CYS A 106 -8.286 5.584 3.199 1.00 0.27 C ATOM 903 C CYS A 106 -7.430 5.911 4.434 1.00 0.27 C ATOM 904 O CYS A 106 -6.417 6.606 4.326 1.00 0.28 O ATOM 905 CB CYS A 106 -9.573 6.421 3.200 1.00 0.29 C ATOM 906 SG CYS A 106 -9.297 8.208 3.181 1.00 0.59 S ATOM 0 H CYS A 106 -9.599 3.950 3.058 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.712 5.834 2.307 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.171 6.148 2.330 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.159 6.165 4.083 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.319 8.799 2.636 1.00 0.59 H new ATOM 912 N ASN A 107 -7.835 5.385 5.597 1.00 0.28 N ATOM 913 CA ASN A 107 -7.055 5.528 6.836 1.00 0.30 C ATOM 914 C ASN A 107 -5.659 4.977 6.658 1.00 0.24 C ATOM 915 O ASN A 107 -4.682 5.650 6.959 1.00 0.23 O ATOM 916 CB ASN A 107 -7.709 4.778 7.993 1.00 0.37 C ATOM 917 CG ASN A 107 -8.820 5.562 8.669 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.577 6.313 9.614 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.044 5.395 8.198 1.00 0.64 N ATOM 0 H ASN A 107 -8.700 4.855 5.707 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.016 6.594 7.062 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -8.113 3.835 7.623 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.947 4.530 8.732 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.826 5.897 8.619 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.207 4.764 7.413 1.00 0.64 H new ATOM 926 N ILE A 108 -5.586 3.747 6.168 1.00 0.21 N ATOM 927 CA ILE A 108 -4.318 3.064 5.956 1.00 0.17 C ATOM 928 C ILE A 108 -3.364 3.941 5.155 1.00 0.12 C ATOM 929 O ILE A 108 -2.247 4.211 5.585 1.00 0.12 O ATOM 930 CB ILE A 108 -4.551 1.722 5.222 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.745 0.580 6.215 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.430 1.398 4.248 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.123 0.550 6.817 1.00 0.39 C ATOM 0 H ILE A 108 -6.403 3.195 5.907 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.868 2.862 6.928 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.466 1.835 4.640 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.554 -0.368 5.712 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -4.008 0.671 7.013 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.638 0.447 3.757 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.360 2.186 3.498 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.487 1.328 4.789 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.197 -0.284 7.514 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.309 1.484 7.348 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.863 0.429 6.026 1.00 0.39 H new ATOM 945 N LEU A 109 -3.834 4.406 4.014 1.00 0.12 N ATOM 946 CA LEU A 109 -3.039 5.242 3.131 1.00 0.12 C ATOM 947 C LEU A 109 -2.644 6.554 3.778 1.00 0.13 C ATOM 948 O LEU A 109 -1.464 6.888 3.837 1.00 0.13 O ATOM 949 CB LEU A 109 -3.820 5.522 1.868 1.00 0.15 C ATOM 950 CG LEU A 109 -3.665 4.467 0.801 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.724 4.647 -0.246 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.292 4.572 0.185 1.00 0.17 C ATOM 0 H LEU A 109 -4.776 4.216 3.672 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.122 4.699 2.904 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -4.876 5.616 2.120 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.502 6.483 1.463 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.778 3.478 1.245 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.609 3.883 -1.015 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.708 4.555 0.213 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.625 5.634 -0.697 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.180 3.810 -0.586 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.167 5.559 -0.260 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.535 4.423 0.955 1.00 0.17 H new ATOM 964 N SER A 110 -3.632 7.283 4.270 1.00 0.16 N ATOM 965 CA SER A 110 -3.393 8.580 4.881 1.00 0.20 C ATOM 966 C SER A 110 -2.431 8.438 6.061 1.00 0.19 C ATOM 967 O SER A 110 -1.657 9.351 6.368 1.00 0.22 O ATOM 968 CB SER A 110 -4.720 9.211 5.314 1.00 0.28 C ATOM 969 OG SER A 110 -4.532 10.528 5.805 1.00 1.18 O ATOM 0 H SER A 110 -4.611 6.997 4.258 1.00 0.16 H new ATOM 0 HA SER A 110 -2.930 9.242 4.149 1.00 0.20 H new ATOM 0 HB2 SER A 110 -5.408 9.231 4.469 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.182 8.596 6.086 1.00 0.28 H new ATOM 0 HG SER A 110 -5.397 10.904 6.072 1.00 1.18 H new ATOM 975 N ARG A 111 -2.479 7.283 6.718 1.00 0.18 N ATOM 976 CA ARG A 111 -1.565 6.981 7.798 1.00 0.19 C ATOM 977 C ARG A 111 -0.164 6.650 7.272 1.00 0.16 C ATOM 978 O ARG A 111 0.793 7.351 7.586 1.00 0.17 O ATOM 979 CB ARG A 111 -2.112 5.828 8.648 1.00 0.25 C ATOM 980 CG ARG A 111 -3.228 6.245 9.594 1.00 0.33 C ATOM 981 CD ARG A 111 -3.549 5.148 10.599 1.00 1.22 C ATOM 982 NE ARG A 111 -4.421 4.108 10.051 1.00 1.97 N ATOM 983 CZ ARG A 111 -4.321 2.813 10.363 1.00 2.79 C ATOM 984 NH1 ARG A 111 -3.288 2.377 11.074 1.00 3.10 N ATOM 985 NH2 ARG A 111 -5.242 1.952 9.942 1.00 3.73 N ATOM 0 H ARG A 111 -3.148 6.541 6.514 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.478 7.869 8.424 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.481 5.044 7.987 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.297 5.397 9.229 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -2.936 7.151 10.125 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.122 6.486 9.019 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -2.620 4.692 10.941 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -4.026 5.592 11.473 1.00 1.22 H new ATOM 0 HE ARG A 111 -5.148 4.388 9.392 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -2.569 3.031 11.383 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -3.213 1.388 11.311 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -6.027 2.280 9.379 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -5.164 0.964 10.181 1.00 3.73 H new ATOM 999 N VAL A 112 -0.049 5.618 6.433 1.00 0.15 N ATOM 1000 CA VAL A 112 1.269 5.121 6.025 1.00 0.14 C ATOM 1001 C VAL A 112 1.994 6.084 5.091 1.00 0.14 C ATOM 1002 O VAL A 112 3.211 6.235 5.191 1.00 0.15 O ATOM 1003 CB VAL A 112 1.220 3.723 5.367 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.624 2.695 6.309 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.455 3.762 4.062 1.00 0.15 C ATOM 0 H VAL A 112 -0.839 5.116 6.027 1.00 0.15 H new ATOM 0 HA VAL A 112 1.827 5.040 6.958 1.00 0.14 H new ATOM 0 HB VAL A 112 2.245 3.425 5.149 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.602 1.722 5.819 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.232 2.633 7.212 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.391 2.990 6.574 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.436 2.765 3.621 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.566 4.095 4.249 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.943 4.454 3.375 1.00 0.15 H new ATOM 1015 N LEU A 113 1.266 6.742 4.194 1.00 0.15 N ATOM 1016 CA LEU A 113 1.876 7.659 3.262 1.00 0.16 C ATOM 1017 C LEU A 113 2.531 8.821 4.005 1.00 0.17 C ATOM 1018 O LEU A 113 3.683 9.162 3.746 1.00 0.20 O ATOM 1019 CB LEU A 113 0.818 8.145 2.267 1.00 0.16 C ATOM 1020 CG LEU A 113 0.917 9.602 1.865 1.00 0.20 C ATOM 1021 CD1 LEU A 113 2.128 9.818 0.977 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.356 10.051 1.170 1.00 0.27 C ATOM 0 H LEU A 113 0.254 6.651 4.100 1.00 0.15 H new ATOM 0 HA LEU A 113 2.663 7.150 2.707 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.883 7.533 1.367 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.168 7.972 2.699 1.00 0.16 H new ATOM 0 HG LEU A 113 1.039 10.207 2.763 1.00 0.20 H new ATOM 0 HD11 LEU A 113 2.189 10.869 0.694 1.00 0.20 H new ATOM 0 HD12 LEU A 113 3.031 9.535 1.518 1.00 0.20 H new ATOM 0 HD13 LEU A 113 2.035 9.206 0.080 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.266 11.100 0.889 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.515 9.448 0.276 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.202 9.928 1.846 1.00 0.27 H new ATOM 1034 N SER A 114 1.809 9.399 4.950 1.00 0.17 N ATOM 1035 CA SER A 114 2.326 10.520 5.718 1.00 0.21 C ATOM 1036 C SER A 114 3.438 10.041 6.649 1.00 0.18 C ATOM 1037 O SER A 114 4.416 10.752 6.875 1.00 0.20 O ATOM 1038 CB SER A 114 1.194 11.180 6.505 1.00 0.26 C ATOM 1039 OG SER A 114 1.631 12.364 7.156 1.00 1.06 O ATOM 0 H SER A 114 0.864 9.111 5.204 1.00 0.17 H new ATOM 0 HA SER A 114 2.745 11.263 5.039 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.371 11.417 5.830 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.807 10.479 7.245 1.00 0.26 H new ATOM 0 HG SER A 114 0.883 12.762 7.649 1.00 1.06 H new ATOM 1045 N ARG A 115 3.291 8.822 7.167 1.00 0.15 N ATOM 1046 CA ARG A 115 4.330 8.206 7.977 1.00 0.16 C ATOM 1047 C ARG A 115 5.621 8.057 7.186 1.00 0.15 C ATOM 1048 O ARG A 115 6.692 8.371 7.684 1.00 0.18 O ATOM 1049 CB ARG A 115 3.883 6.838 8.482 1.00 0.20 C ATOM 1050 CG ARG A 115 2.925 6.908 9.650 1.00 0.31 C ATOM 1051 CD ARG A 115 3.551 7.622 10.829 1.00 0.53 C ATOM 1052 NE ARG A 115 2.860 7.324 12.079 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.852 8.129 13.139 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.424 9.329 13.068 1.00 1.63 N ATOM 1055 NH2 ARG A 115 2.261 7.741 14.264 1.00 1.62 N ATOM 0 H ARG A 115 2.460 8.245 7.037 1.00 0.15 H new ATOM 0 HA ARG A 115 4.512 8.860 8.830 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.408 6.296 7.665 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.761 6.264 8.777 1.00 0.20 H new ATOM 0 HG2 ARG A 115 2.016 7.428 9.348 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.633 5.900 9.945 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.598 7.330 10.915 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.533 8.697 10.653 1.00 0.53 H new ATOM 0 HE ARG A 115 2.351 6.443 12.145 1.00 0.89 H new ATOM 0 HH11 ARG A 115 3.868 9.632 12.201 1.00 1.63 H new ATOM 0 HH12 ARG A 115 3.418 9.946 13.880 1.00 1.63 H new ATOM 0 HH21 ARG A 115 1.813 6.826 14.316 1.00 1.62 H new ATOM 0 HH22 ARG A 115 2.255 8.358 15.076 1.00 1.62 H new ATOM 1069 N ALA A 116 5.511 7.577 5.954 1.00 0.15 N ATOM 1070 CA ALA A 116 6.678 7.366 5.103 1.00 0.18 C ATOM 1071 C ALA A 116 7.258 8.685 4.613 1.00 0.21 C ATOM 1072 O ALA A 116 8.450 8.790 4.327 1.00 0.25 O ATOM 1073 CB ALA A 116 6.315 6.483 3.928 1.00 0.20 C ATOM 0 H ALA A 116 4.623 7.325 5.519 1.00 0.15 H new ATOM 0 HA ALA A 116 7.442 6.869 5.701 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.194 6.333 3.301 1.00 0.20 H new ATOM 0 HB2 ALA A 116 5.961 5.519 4.293 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.529 6.961 3.343 1.00 0.20 H new ATOM 1079 N ARG A 117 6.401 9.684 4.507 1.00 0.23 N ATOM 1080 CA ARG A 117 6.810 11.015 4.140 1.00 0.28 C ATOM 1081 C ARG A 117 7.572 11.653 5.301 1.00 0.29 C ATOM 1082 O ARG A 117 8.513 12.423 5.104 1.00 0.39 O ATOM 1083 CB ARG A 117 5.556 11.809 3.765 1.00 0.38 C ATOM 1084 CG ARG A 117 5.707 13.296 3.873 1.00 1.06 C ATOM 1085 CD ARG A 117 6.491 13.833 2.694 1.00 1.15 C ATOM 1086 NE ARG A 117 6.880 15.232 2.869 1.00 1.75 N ATOM 1087 CZ ARG A 117 8.122 15.694 2.705 1.00 2.25 C ATOM 1088 NH1 ARG A 117 9.116 14.859 2.412 1.00 2.33 N ATOM 1089 NH2 ARG A 117 8.369 16.992 2.836 1.00 2.99 N ATOM 0 H ARG A 117 5.399 9.588 4.675 1.00 0.23 H new ATOM 0 HA ARG A 117 7.483 11.002 3.283 1.00 0.28 H new ATOM 0 HB2 ARG A 117 5.275 11.558 2.742 1.00 0.38 H new ATOM 0 HB3 ARG A 117 4.735 11.492 4.408 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.724 13.766 3.909 1.00 1.06 H new ATOM 0 HG3 ARG A 117 6.216 13.550 4.803 1.00 1.06 H new ATOM 0 HD2 ARG A 117 7.385 13.226 2.550 1.00 1.15 H new ATOM 0 HD3 ARG A 117 5.891 13.737 1.789 1.00 1.15 H new ATOM 0 HE ARG A 117 6.155 15.899 3.134 1.00 1.75 H new ATOM 0 HH11 ARG A 117 8.931 13.861 2.312 1.00 2.33 H new ATOM 0 HH12 ARG A 117 10.063 15.217 2.288 1.00 2.33 H new ATOM 0 HH21 ARG A 117 7.610 17.635 3.062 1.00 2.99 H new ATOM 0 HH22 ARG A 117 9.317 17.346 2.711 1.00 2.99 H new ATOM 1103 N SER A 118 7.158 11.295 6.504 1.00 0.28 N ATOM 1104 CA SER A 118 7.795 11.752 7.729 1.00 0.33 C ATOM 1105 C SER A 118 9.078 10.975 7.982 1.00 0.32 C ATOM 1106 O SER A 118 10.140 11.543 8.245 1.00 0.41 O ATOM 1107 CB SER A 118 6.831 11.535 8.891 1.00 0.38 C ATOM 1108 OG SER A 118 7.298 12.132 10.088 1.00 0.62 O ATOM 0 H SER A 118 6.364 10.674 6.660 1.00 0.28 H new ATOM 0 HA SER A 118 8.043 12.809 7.635 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.856 11.950 8.635 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.690 10.466 9.050 1.00 0.38 H new ATOM 0 HG SER A 118 6.652 11.972 10.807 1.00 0.62 H new ATOM 1114 N ARG A 119 8.939 9.671 7.900 1.00 0.26 N ATOM 1115 CA ARG A 119 10.023 8.731 8.149 1.00 0.28 C ATOM 1116 C ARG A 119 10.360 7.936 6.887 1.00 0.26 C ATOM 1117 O ARG A 119 9.906 6.803 6.716 1.00 0.25 O ATOM 1118 CB ARG A 119 9.636 7.754 9.264 1.00 0.33 C ATOM 1119 CG ARG A 119 9.366 8.404 10.608 1.00 0.47 C ATOM 1120 CD ARG A 119 10.645 8.947 11.211 1.00 1.28 C ATOM 1121 NE ARG A 119 10.438 9.461 12.564 1.00 1.54 N ATOM 1122 CZ ARG A 119 11.286 10.273 13.190 1.00 2.39 C ATOM 1123 NH1 ARG A 119 12.358 10.739 12.562 1.00 3.26 N ATOM 1124 NH2 ARG A 119 11.058 10.627 14.447 1.00 2.60 N ATOM 0 H ARG A 119 8.057 9.221 7.655 1.00 0.26 H new ATOM 0 HA ARG A 119 10.897 9.307 8.451 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.746 7.205 8.955 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.436 7.023 9.383 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.644 9.212 10.488 1.00 0.47 H new ATOM 0 HG3 ARG A 119 8.920 7.676 11.286 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.398 8.159 11.234 1.00 1.28 H new ATOM 0 HD3 ARG A 119 11.035 9.743 10.577 1.00 1.28 H new ATOM 0 HE ARG A 119 9.591 9.180 13.058 1.00 1.54 H new ATOM 0 HH11 ARG A 119 12.536 10.475 11.593 1.00 3.26 H new ATOM 0 HH12 ARG A 119 13.004 11.361 13.048 1.00 3.26 H new ATOM 0 HH21 ARG A 119 10.233 10.277 14.934 1.00 2.60 H new ATOM 0 HH22 ARG A 119 11.708 11.249 14.927 1.00 2.60 H new ATOM 1138 N PRO A 120 11.168 8.518 5.991 1.00 0.29 N ATOM 1139 CA PRO A 120 11.658 7.842 4.782 1.00 0.30 C ATOM 1140 C PRO A 120 12.448 6.581 5.118 1.00 0.27 C ATOM 1141 O PRO A 120 12.535 5.645 4.321 1.00 0.28 O ATOM 1142 CB PRO A 120 12.588 8.884 4.149 1.00 0.37 C ATOM 1143 CG PRO A 120 12.915 9.821 5.255 1.00 0.38 C ATOM 1144 CD PRO A 120 11.674 9.888 6.079 1.00 0.35 C ATOM 0 HA PRO A 120 10.844 7.520 4.133 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.487 8.419 3.746 1.00 0.37 H new ATOM 0 HB3 PRO A 120 12.099 9.401 3.324 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.760 9.461 5.842 1.00 0.38 H new ATOM 0 HG3 PRO A 120 13.189 10.804 4.872 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.884 10.179 7.108 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.961 10.611 5.683 1.00 0.35 H new ATOM 1152 N ALA A 121 13.019 6.567 6.313 1.00 0.25 N ATOM 1153 CA ALA A 121 13.806 5.436 6.778 1.00 0.28 C ATOM 1154 C ALA A 121 12.920 4.230 7.092 1.00 0.27 C ATOM 1155 O ALA A 121 13.387 3.091 7.114 1.00 0.35 O ATOM 1156 CB ALA A 121 14.616 5.837 7.994 1.00 0.33 C ATOM 0 H ALA A 121 12.951 7.333 6.983 1.00 0.25 H new ATOM 0 HA ALA A 121 14.486 5.141 5.979 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.203 4.985 8.337 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.285 6.657 7.731 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.943 6.158 8.789 1.00 0.33 H new ATOM 1162 N LYS A 122 11.644 4.483 7.347 1.00 0.22 N ATOM 1163 CA LYS A 122 10.689 3.420 7.586 1.00 0.27 C ATOM 1164 C LYS A 122 9.713 3.293 6.424 1.00 0.19 C ATOM 1165 O LYS A 122 8.756 2.523 6.495 1.00 0.18 O ATOM 1166 CB LYS A 122 9.933 3.693 8.878 1.00 0.39 C ATOM 1167 CG LYS A 122 10.681 3.264 10.123 1.00 0.49 C ATOM 1168 CD LYS A 122 10.323 1.837 10.503 1.00 0.66 C ATOM 1169 CE LYS A 122 10.596 1.554 11.974 1.00 1.28 C ATOM 1170 NZ LYS A 122 12.034 1.680 12.326 1.00 1.79 N ATOM 0 H LYS A 122 11.248 5.422 7.393 1.00 0.22 H new ATOM 0 HA LYS A 122 11.232 2.479 7.676 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.717 4.759 8.944 1.00 0.39 H new ATOM 0 HB3 LYS A 122 8.974 3.175 8.844 1.00 0.39 H new ATOM 0 HG2 LYS A 122 11.755 3.341 9.952 1.00 0.49 H new ATOM 0 HG3 LYS A 122 10.440 3.936 10.947 1.00 0.49 H new ATOM 0 HD2 LYS A 122 9.269 1.658 10.289 1.00 0.66 H new ATOM 0 HD3 LYS A 122 10.896 1.143 9.888 1.00 0.66 H new ATOM 0 HE2 LYS A 122 10.015 2.244 12.586 1.00 1.28 H new ATOM 0 HE3 LYS A 122 10.254 0.548 12.215 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 12.352 0.812 12.802 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 12.592 1.825 11.460 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 12.166 2.492 12.962 1.00 1.79 H new ATOM 1184 N LEU A 123 9.976 4.049 5.358 1.00 0.17 N ATOM 1185 CA LEU A 123 9.154 4.040 4.156 1.00 0.14 C ATOM 1186 C LEU A 123 8.833 2.624 3.696 1.00 0.12 C ATOM 1187 O LEU A 123 7.692 2.319 3.362 1.00 0.12 O ATOM 1188 CB LEU A 123 9.897 4.782 3.057 1.00 0.16 C ATOM 1189 CG LEU A 123 9.361 4.588 1.649 1.00 0.14 C ATOM 1190 CD1 LEU A 123 8.114 5.414 1.411 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.443 4.947 0.668 1.00 0.21 C ATOM 0 H LEU A 123 10.770 4.687 5.308 1.00 0.17 H new ATOM 0 HA LEU A 123 8.206 4.530 4.381 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.880 5.847 3.288 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.941 4.468 3.075 1.00 0.16 H new ATOM 0 HG LEU A 123 9.076 3.545 1.515 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.758 5.251 0.394 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.340 5.117 2.118 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.345 6.470 1.549 1.00 0.15 H new ATOM 0 HD21 LEU A 123 10.072 4.812 -0.348 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.735 5.987 0.813 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.307 4.302 0.827 1.00 0.21 H new ATOM 1203 N TYR A 124 9.841 1.760 3.706 1.00 0.13 N ATOM 1204 CA TYR A 124 9.678 0.397 3.226 1.00 0.13 C ATOM 1205 C TYR A 124 8.660 -0.359 4.058 1.00 0.13 C ATOM 1206 O TYR A 124 7.858 -1.097 3.513 1.00 0.14 O ATOM 1207 CB TYR A 124 11.016 -0.330 3.217 1.00 0.14 C ATOM 1208 CG TYR A 124 11.945 0.140 2.132 1.00 0.14 C ATOM 1209 CD1 TYR A 124 11.865 -0.406 0.869 1.00 0.14 C ATOM 1210 CD2 TYR A 124 12.896 1.126 2.364 1.00 0.22 C ATOM 1211 CE1 TYR A 124 12.694 0.005 -0.138 1.00 0.19 C ATOM 1212 CE2 TYR A 124 13.740 1.547 1.354 1.00 0.26 C ATOM 1213 CZ TYR A 124 13.633 0.982 0.101 1.00 0.24 C ATOM 1214 OH TYR A 124 14.462 1.391 -0.913 1.00 0.31 O ATOM 0 H TYR A 124 10.779 1.981 4.041 1.00 0.13 H new ATOM 0 HA TYR A 124 9.304 0.442 2.203 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.501 -0.195 4.184 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.839 -1.399 3.096 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.132 -1.174 0.670 1.00 0.14 H new ATOM 0 HD2 TYR A 124 12.977 1.569 3.346 1.00 0.22 H new ATOM 0 HE1 TYR A 124 12.612 -0.437 -1.120 1.00 0.19 H new ATOM 0 HE2 TYR A 124 14.478 2.313 1.545 1.00 0.26 H new ATOM 0 HH TYR A 124 15.066 2.087 -0.581 1.00 0.31 H new ATOM 1224 N VAL A 125 8.686 -0.167 5.370 1.00 0.13 N ATOM 1225 CA VAL A 125 7.686 -0.782 6.243 1.00 0.14 C ATOM 1226 C VAL A 125 6.277 -0.377 5.828 1.00 0.12 C ATOM 1227 O VAL A 125 5.371 -1.206 5.775 1.00 0.14 O ATOM 1228 CB VAL A 125 7.898 -0.376 7.714 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.794 -0.937 8.604 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.268 -0.824 8.193 1.00 0.23 C ATOM 0 H VAL A 125 9.380 0.403 5.853 1.00 0.13 H new ATOM 0 HA VAL A 125 7.804 -1.861 6.146 1.00 0.14 H new ATOM 0 HB VAL A 125 7.851 0.711 7.780 1.00 0.18 H new ATOM 0 HG11 VAL A 125 6.970 -0.634 9.636 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.829 -0.553 8.273 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.793 -2.025 8.540 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.404 -0.530 9.234 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.346 -1.908 8.109 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.039 -0.356 7.581 1.00 0.23 H new ATOM 1240 N TYR A 126 6.104 0.896 5.523 1.00 0.11 N ATOM 1241 CA TYR A 126 4.805 1.414 5.125 1.00 0.11 C ATOM 1242 C TYR A 126 4.457 0.915 3.730 1.00 0.10 C ATOM 1243 O TYR A 126 3.289 0.723 3.395 1.00 0.11 O ATOM 1244 CB TYR A 126 4.828 2.938 5.207 1.00 0.12 C ATOM 1245 CG TYR A 126 5.330 3.413 6.551 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.844 2.842 7.720 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.304 4.396 6.657 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.307 3.240 8.955 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.776 4.799 7.892 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.277 4.217 9.039 1.00 0.20 C ATOM 1251 OH TYR A 126 6.742 4.614 10.274 1.00 0.25 O ATOM 0 H TYR A 126 6.848 1.593 5.543 1.00 0.11 H new ATOM 0 HA TYR A 126 4.027 1.054 5.799 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.466 3.336 4.418 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.825 3.328 5.034 1.00 0.12 H new ATOM 0 HD1 TYR A 126 4.089 2.072 7.660 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.699 4.853 5.761 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.912 2.789 9.853 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.533 5.567 7.959 1.00 0.20 H new ATOM 0 HH TYR A 126 7.423 5.309 10.159 1.00 0.25 H new ATOM 1261 N ILE A 127 5.493 0.687 2.935 1.00 0.11 N ATOM 1262 CA ILE A 127 5.363 -0.009 1.666 1.00 0.11 C ATOM 1263 C ILE A 127 4.844 -1.427 1.905 1.00 0.11 C ATOM 1264 O ILE A 127 3.889 -1.869 1.266 1.00 0.11 O ATOM 1265 CB ILE A 127 6.728 -0.056 0.938 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.080 1.337 0.418 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.716 -1.068 -0.191 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.557 1.545 0.175 1.00 0.11 C ATOM 0 H ILE A 127 6.446 0.980 3.153 1.00 0.11 H new ATOM 0 HA ILE A 127 4.653 0.529 1.038 1.00 0.11 H new ATOM 0 HB ILE A 127 7.491 -0.374 1.649 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.540 1.514 -0.512 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.732 2.080 1.135 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.689 -1.077 -0.682 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.503 -2.059 0.211 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.947 -0.797 -0.914 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.726 2.557 -0.193 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.103 1.402 1.108 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.909 0.826 -0.565 1.00 0.11 H new ATOM 1280 N ASN A 128 5.481 -2.125 2.845 1.00 0.12 N ATOM 1281 CA ASN A 128 5.076 -3.462 3.238 1.00 0.14 C ATOM 1282 C ASN A 128 3.632 -3.474 3.693 1.00 0.14 C ATOM 1283 O ASN A 128 2.826 -4.279 3.216 1.00 0.16 O ATOM 1284 CB ASN A 128 5.925 -3.974 4.403 1.00 0.20 C ATOM 1285 CG ASN A 128 7.420 -3.891 4.192 1.00 0.25 C ATOM 1286 OD1 ASN A 128 7.850 -3.816 2.954 1.00 0.50 O flip ATOM 1287 ND2 ASN A 128 8.173 -3.858 5.149 1.00 0.26 N flip ATOM 0 H ASN A 128 6.293 -1.773 3.352 1.00 0.12 H new ATOM 0 HA ASN A 128 5.208 -4.101 2.365 1.00 0.14 H new ATOM 0 HB2 ASN A 128 5.668 -3.406 5.297 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.658 -5.013 4.598 1.00 0.20 H new ATOM 0 HD21 ASN A 128 7.798 -3.919 6.096 1.00 0.26 H new ATOM 0 HD22 ASN A 128 9.179 -3.769 5.004 1.00 0.26 H new ATOM 1294 N GLU A 129 3.325 -2.585 4.639 1.00 0.13 N ATOM 1295 CA GLU A 129 1.988 -2.484 5.196 1.00 0.16 C ATOM 1296 C GLU A 129 0.978 -2.325 4.096 1.00 0.15 C ATOM 1297 O GLU A 129 0.150 -3.192 3.887 1.00 0.17 O ATOM 1298 CB GLU A 129 1.874 -1.291 6.147 1.00 0.23 C ATOM 1299 CG GLU A 129 2.560 -1.510 7.476 1.00 0.29 C ATOM 1300 CD GLU A 129 2.180 -0.468 8.510 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.024 -0.470 8.981 1.00 0.90 O ATOM 1302 OE2 GLU A 129 3.045 0.370 8.849 1.00 1.03 O ATOM 0 H GLU A 129 3.994 -1.923 5.033 1.00 0.13 H new ATOM 0 HA GLU A 129 1.793 -3.401 5.752 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.303 -0.412 5.667 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.820 -1.076 6.323 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.304 -2.500 7.853 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.640 -1.494 7.330 1.00 0.29 H new ATOM 1309 N LEU A 130 1.112 -1.241 3.364 1.00 0.14 N ATOM 1310 CA LEU A 130 0.209 -0.907 2.279 1.00 0.15 C ATOM 1311 C LEU A 130 0.024 -2.081 1.314 1.00 0.15 C ATOM 1312 O LEU A 130 -1.100 -2.421 0.954 1.00 0.18 O ATOM 1313 CB LEU A 130 0.783 0.303 1.559 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.184 1.081 0.689 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.491 1.326 1.430 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.466 2.395 0.298 1.00 0.12 C ATOM 0 H LEU A 130 1.857 -0.559 3.505 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.779 -0.681 2.679 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.196 0.982 2.305 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.613 -0.030 0.936 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.416 0.507 -0.208 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.173 1.886 0.790 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.944 0.370 1.695 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.293 1.897 2.337 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.218 2.967 -0.329 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.699 2.967 1.196 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.384 2.196 -0.254 1.00 0.12 H new ATOM 1328 N CYS A 131 1.125 -2.718 0.932 1.00 0.14 N ATOM 1329 CA CYS A 131 1.080 -3.846 0.003 1.00 0.17 C ATOM 1330 C CYS A 131 0.319 -5.033 0.599 1.00 0.18 C ATOM 1331 O CYS A 131 -0.507 -5.655 -0.074 1.00 0.21 O ATOM 1332 CB CYS A 131 2.504 -4.268 -0.371 1.00 0.20 C ATOM 1333 SG CYS A 131 2.595 -5.668 -1.510 1.00 0.53 S ATOM 0 H CYS A 131 2.063 -2.473 1.251 1.00 0.14 H new ATOM 0 HA CYS A 131 0.548 -3.525 -0.893 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.016 -3.417 -0.820 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.046 -4.521 0.540 1.00 0.20 H new ATOM 0 HG CYS A 131 3.449 -5.404 -2.454 1.00 0.53 H new ATOM 1339 N THR A 132 0.578 -5.336 1.861 1.00 0.19 N ATOM 1340 CA THR A 132 -0.083 -6.453 2.514 1.00 0.23 C ATOM 1341 C THR A 132 -1.526 -6.091 2.830 1.00 0.21 C ATOM 1342 O THR A 132 -2.432 -6.910 2.703 1.00 0.22 O ATOM 1343 CB THR A 132 0.638 -6.847 3.809 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.041 -7.004 3.555 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.066 -8.144 4.363 1.00 0.36 C ATOM 0 H THR A 132 1.237 -4.827 2.450 1.00 0.19 H new ATOM 0 HA THR A 132 -0.056 -7.302 1.831 1.00 0.23 H new ATOM 0 HB THR A 132 0.490 -6.057 4.546 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.449 -6.124 3.415 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.589 -8.409 5.282 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.995 -8.013 4.574 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.194 -8.941 3.630 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.709 -4.838 3.213 1.00 0.18 N ATOM 1354 CA VAL A 133 -3.012 -4.264 3.497 1.00 0.17 C ATOM 1355 C VAL A 133 -3.962 -4.506 2.334 1.00 0.18 C ATOM 1356 O VAL A 133 -5.140 -4.829 2.527 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.858 -2.746 3.759 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.141 -1.990 3.486 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.386 -2.489 5.186 1.00 0.18 C ATOM 0 H VAL A 133 -0.940 -4.179 3.337 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.429 -4.742 4.383 1.00 0.17 H new ATOM 0 HB VAL A 133 -2.103 -2.376 3.065 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.987 -0.929 3.683 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.430 -2.128 2.444 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.931 -2.368 4.134 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.285 -1.416 5.348 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -3.114 -2.895 5.889 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.422 -2.972 5.343 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.424 -4.376 1.134 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.185 -4.592 -0.078 1.00 0.20 C ATOM 1371 C LEU A 134 -4.753 -6.005 -0.135 1.00 0.23 C ATOM 1372 O LEU A 134 -5.948 -6.179 -0.311 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.304 -4.318 -1.295 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.801 -2.880 -1.386 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.817 -2.706 -2.520 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.963 -1.926 -1.551 1.00 0.20 C ATOM 0 H LEU A 134 -2.450 -4.118 0.975 1.00 0.18 H new ATOM 0 HA LEU A 134 -5.028 -3.901 -0.082 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.447 -4.991 -1.269 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.867 -4.553 -2.198 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.281 -2.652 -0.456 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.481 -1.670 -2.554 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.960 -3.361 -2.362 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.300 -2.962 -3.463 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.589 -0.904 -1.614 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.508 -2.170 -2.463 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.631 -2.015 -0.695 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.912 -7.012 0.044 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.376 -8.389 -0.077 1.00 0.29 C ATOM 1390 C LYS A 135 -5.071 -8.883 1.181 1.00 0.30 C ATOM 1391 O LYS A 135 -5.997 -9.689 1.107 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.238 -9.327 -0.446 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.101 -9.522 -1.941 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.425 -9.945 -2.569 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.238 -10.369 -4.016 1.00 0.91 C ATOM 1396 NZ LYS A 135 -5.535 -10.634 -4.689 1.00 1.59 N ATOM 0 H LYS A 135 -2.923 -6.908 0.269 1.00 0.25 H new ATOM 0 HA LYS A 135 -5.111 -8.392 -0.882 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.303 -8.931 -0.049 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.402 -10.294 0.029 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.758 -8.595 -2.401 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.342 -10.278 -2.143 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.854 -10.769 -1.999 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.134 -9.119 -2.518 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -3.702 -9.589 -4.556 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.620 -11.266 -4.054 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -5.454 -11.491 -5.273 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -6.276 -10.772 -3.973 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -5.784 -9.825 -5.293 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.626 -8.400 2.331 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.172 -8.843 3.608 1.00 0.30 C ATOM 1412 C ALA A 136 -6.666 -8.585 3.690 1.00 0.31 C ATOM 1413 O ALA A 136 -7.406 -9.347 4.313 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.473 -8.148 4.767 1.00 0.33 C ATOM 0 H ALA A 136 -3.888 -7.701 2.408 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.999 -9.917 3.678 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.898 -8.495 5.709 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.408 -8.380 4.742 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.611 -7.070 4.682 1.00 0.33 H new ATOM 1420 N HIS A 137 -7.115 -7.505 3.065 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.495 -7.100 3.190 1.00 0.35 C ATOM 1422 C HIS A 137 -9.211 -7.073 1.847 1.00 0.35 C ATOM 1423 O HIS A 137 -10.415 -6.812 1.791 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.569 -5.732 3.849 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.759 -5.622 5.106 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -8.147 -6.172 6.307 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.546 -5.062 5.326 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -7.207 -5.960 7.209 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -6.228 -5.287 6.639 1.00 0.49 N ATOM 0 H HIS A 137 -6.544 -6.903 2.473 1.00 0.30 H new ATOM 0 HA HIS A 137 -9.002 -7.839 3.811 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.227 -4.978 3.140 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.610 -5.505 4.078 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -5.942 -4.536 4.601 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -7.235 -6.283 8.239 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -5.371 -4.983 7.101 1.00 0.49 H new ATOM 1438 N SER A 138 -8.482 -7.339 0.770 1.00 0.31 N ATOM 1439 CA SER A 138 -9.065 -7.306 -0.558 1.00 0.33 C ATOM 1440 C SER A 138 -8.550 -8.448 -1.420 1.00 0.55 C ATOM 1441 O SER A 138 -7.346 -8.689 -1.514 1.00 1.05 O ATOM 1442 CB SER A 138 -8.735 -5.994 -1.247 1.00 0.38 C ATOM 1443 OG SER A 138 -8.327 -5.018 -0.321 1.00 1.00 O ATOM 0 H SER A 138 -7.491 -7.579 0.793 1.00 0.31 H new ATOM 0 HA SER A 138 -10.144 -7.408 -0.439 1.00 0.33 H new ATOM 0 HB2 SER A 138 -7.945 -6.155 -1.981 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.609 -5.638 -1.793 1.00 0.38 H new ATOM 0 HG SER A 138 -7.390 -5.171 -0.076 1.00 1.00 H new ATOM 1624 N SER B 27 4.677 -11.046 2.821 1.00 0.55 N ATOM 1625 CA SER B 27 4.013 -9.832 3.250 1.00 0.54 C ATOM 1626 C SER B 27 4.963 -8.645 3.162 1.00 0.44 C ATOM 1627 O SER B 27 5.100 -8.010 2.116 1.00 0.53 O ATOM 1628 CB SER B 27 3.493 -10.025 4.680 1.00 0.75 C ATOM 1629 OG SER B 27 2.961 -8.830 5.221 1.00 1.37 O ATOM 0 HA SER B 27 3.169 -9.623 2.593 1.00 0.54 H new ATOM 0 HB2 SER B 27 2.724 -10.798 4.684 1.00 0.75 H new ATOM 0 HB3 SER B 27 4.305 -10.380 5.315 1.00 0.75 H new ATOM 0 HG SER B 27 2.839 -8.173 4.505 1.00 1.37 H new ATOM 1635 N ASP B 28 5.632 -8.378 4.258 1.00 0.43 N ATOM 1636 CA ASP B 28 6.604 -7.296 4.334 1.00 0.37 C ATOM 1637 C ASP B 28 7.948 -7.737 3.778 1.00 0.33 C ATOM 1638 O ASP B 28 8.671 -6.951 3.165 1.00 0.31 O ATOM 1639 CB ASP B 28 6.763 -6.816 5.787 1.00 0.44 C ATOM 1640 CG ASP B 28 6.687 -7.940 6.804 1.00 0.95 C ATOM 1641 OD1 ASP B 28 7.282 -9.011 6.571 1.00 1.07 O ATOM 1642 OD2 ASP B 28 6.002 -7.761 7.832 1.00 1.83 O ATOM 0 H ASP B 28 5.523 -8.901 5.127 1.00 0.43 H new ATOM 0 HA ASP B 28 6.236 -6.467 3.729 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.721 -6.306 5.891 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.986 -6.084 6.007 1.00 0.44 H new ATOM 1647 N SER B 29 8.252 -9.009 3.960 1.00 0.36 N ATOM 1648 CA SER B 29 9.537 -9.564 3.573 1.00 0.34 C ATOM 1649 C SER B 29 9.755 -9.513 2.072 1.00 0.33 C ATOM 1650 O SER B 29 10.891 -9.431 1.615 1.00 0.34 O ATOM 1651 CB SER B 29 9.642 -10.992 4.081 1.00 0.39 C ATOM 1652 OG SER B 29 8.462 -11.724 3.778 1.00 1.07 O ATOM 0 H SER B 29 7.616 -9.687 4.380 1.00 0.36 H new ATOM 0 HA SER B 29 10.319 -8.954 4.025 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.505 -11.481 3.629 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.806 -10.988 5.159 1.00 0.39 H new ATOM 0 HG SER B 29 8.551 -12.641 4.112 1.00 1.07 H new ATOM 1658 N GLU B 30 8.657 -9.532 1.325 1.00 0.35 N ATOM 1659 CA GLU B 30 8.700 -9.493 -0.135 1.00 0.37 C ATOM 1660 C GLU B 30 9.576 -8.345 -0.610 1.00 0.34 C ATOM 1661 O GLU B 30 10.365 -8.480 -1.541 1.00 0.39 O ATOM 1662 CB GLU B 30 7.303 -9.308 -0.704 1.00 0.45 C ATOM 1663 CG GLU B 30 7.244 -9.534 -2.185 1.00 0.68 C ATOM 1664 CD GLU B 30 7.531 -10.966 -2.584 1.00 1.37 C ATOM 1665 OE1 GLU B 30 8.722 -11.341 -2.635 1.00 1.57 O ATOM 1666 OE2 GLU B 30 6.576 -11.725 -2.842 1.00 2.33 O ATOM 0 H GLU B 30 7.714 -9.575 1.711 1.00 0.35 H new ATOM 0 HA GLU B 30 9.114 -10.439 -0.483 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.620 -9.998 -0.208 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.955 -8.299 -0.481 1.00 0.45 H new ATOM 0 HG2 GLU B 30 6.256 -9.254 -2.549 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.962 -8.877 -2.675 1.00 0.68 H new ATOM 1673 N LEU B 31 9.433 -7.223 0.064 1.00 0.28 N ATOM 1674 CA LEU B 31 10.154 -6.022 -0.266 1.00 0.24 C ATOM 1675 C LEU B 31 11.607 -6.184 0.117 1.00 0.25 C ATOM 1676 O LEU B 31 12.522 -5.962 -0.675 1.00 0.26 O ATOM 1677 CB LEU B 31 9.588 -4.851 0.502 1.00 0.20 C ATOM 1678 CG LEU B 31 8.159 -4.409 0.166 1.00 0.20 C ATOM 1679 CD1 LEU B 31 8.045 -3.876 -1.246 1.00 0.19 C ATOM 1680 CD2 LEU B 31 7.168 -5.527 0.391 1.00 0.24 C ATOM 0 H LEU B 31 8.806 -7.123 0.863 1.00 0.28 H new ATOM 0 HA LEU B 31 10.061 -5.842 -1.337 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.624 -5.096 1.564 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.249 -3.998 0.350 1.00 0.20 H new ATOM 0 HG LEU B 31 7.917 -3.593 0.847 1.00 0.20 H new ATOM 0 HD11 LEU B 31 7.015 -3.575 -1.439 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.703 -3.015 -1.364 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.335 -4.654 -1.953 1.00 0.19 H new ATOM 0 HD21 LEU B 31 6.165 -5.180 0.143 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.426 -6.375 -0.244 1.00 0.24 H new ATOM 0 HD23 LEU B 31 7.198 -5.834 1.436 1.00 0.24 H new ATOM 1692 N GLU B 32 11.775 -6.593 1.361 1.00 0.26 N ATOM 1693 CA GLU B 32 13.086 -6.755 1.995 1.00 0.29 C ATOM 1694 C GLU B 32 14.022 -7.626 1.173 1.00 0.33 C ATOM 1695 O GLU B 32 15.243 -7.533 1.301 1.00 0.38 O ATOM 1696 CB GLU B 32 12.944 -7.383 3.380 1.00 0.29 C ATOM 1697 CG GLU B 32 11.744 -6.903 4.179 1.00 0.26 C ATOM 1698 CD GLU B 32 11.814 -7.353 5.623 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.395 -8.490 5.916 1.00 0.59 O ATOM 1700 OE2 GLU B 32 12.256 -6.562 6.479 1.00 0.47 O ATOM 0 H GLU B 32 10.996 -6.828 1.976 1.00 0.26 H new ATOM 0 HA GLU B 32 13.512 -5.755 2.071 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.878 -8.465 3.267 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.849 -7.176 3.951 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.693 -5.815 4.139 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.829 -7.282 3.724 1.00 0.26 H new ATOM 1707 N GLN B 33 13.438 -8.469 0.344 1.00 0.35 N ATOM 1708 CA GLN B 33 14.197 -9.414 -0.465 1.00 0.40 C ATOM 1709 C GLN B 33 15.222 -8.695 -1.324 1.00 0.39 C ATOM 1710 O GLN B 33 16.358 -9.147 -1.469 1.00 0.48 O ATOM 1711 CB GLN B 33 13.263 -10.213 -1.363 1.00 0.43 C ATOM 1712 CG GLN B 33 12.141 -10.889 -0.619 1.00 0.47 C ATOM 1713 CD GLN B 33 12.630 -11.894 0.404 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.853 -13.062 0.092 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.765 -11.454 1.639 1.00 0.57 N ATOM 0 H GLN B 33 12.428 -8.522 0.210 1.00 0.35 H new ATOM 0 HA GLN B 33 14.717 -10.090 0.214 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.840 -9.548 -2.116 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.842 -10.968 -1.895 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.537 -10.133 -0.117 1.00 0.47 H new ATOM 0 HG3 GLN B 33 11.491 -11.393 -1.334 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.570 -10.477 1.856 1.00 0.57 H new ATOM 0 HE22 GLN B 33 13.065 -12.091 2.377 1.00 0.57 H new ATOM 1724 N TYR B 34 14.818 -7.570 -1.882 1.00 0.32 N ATOM 1725 CA TYR B 34 15.674 -6.836 -2.793 1.00 0.32 C ATOM 1726 C TYR B 34 15.897 -5.388 -2.358 1.00 0.30 C ATOM 1727 O TYR B 34 16.851 -4.756 -2.803 1.00 0.37 O ATOM 1728 CB TYR B 34 15.099 -6.884 -4.206 1.00 0.32 C ATOM 1729 CG TYR B 34 13.593 -7.024 -4.258 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.770 -6.090 -3.654 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.994 -8.091 -4.918 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.409 -6.204 -3.698 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.618 -8.214 -4.968 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.829 -7.266 -4.355 1.00 0.34 C ATOM 1735 OH TYR B 34 9.461 -7.386 -4.396 1.00 0.40 O ATOM 0 H TYR B 34 13.905 -7.145 -1.721 1.00 0.32 H new ATOM 0 HA TYR B 34 16.649 -7.322 -2.778 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.387 -5.975 -4.734 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.549 -7.720 -4.741 1.00 0.32 H new ATOM 0 HD1 TYR B 34 13.213 -5.252 -3.136 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.613 -8.834 -5.399 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.789 -5.462 -3.218 1.00 0.26 H new ATOM 0 HE2 TYR B 34 11.165 -9.048 -5.484 1.00 0.42 H new ATOM 0 HH TYR B 34 9.051 -6.516 -4.208 1.00 0.40 H new ATOM 1745 N PHE B 35 15.035 -4.850 -1.496 1.00 0.27 N ATOM 1746 CA PHE B 35 15.206 -3.474 -1.050 1.00 0.26 C ATOM 1747 C PHE B 35 14.607 -3.226 0.331 1.00 0.25 C ATOM 1748 O PHE B 35 13.541 -3.735 0.650 1.00 0.25 O ATOM 1749 CB PHE B 35 14.628 -2.478 -2.073 1.00 0.25 C ATOM 1750 CG PHE B 35 13.207 -2.701 -2.511 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.165 -2.677 -1.610 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.921 -2.899 -3.852 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.870 -2.848 -2.023 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.620 -3.077 -4.277 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.591 -3.053 -3.359 1.00 0.18 C ATOM 0 H PHE B 35 14.229 -5.335 -1.102 1.00 0.27 H new ATOM 0 HA PHE B 35 16.281 -3.309 -0.971 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.699 -1.476 -1.649 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.263 -2.495 -2.959 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.372 -2.521 -0.562 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.725 -2.914 -4.573 1.00 0.22 H new ATOM 0 HE1 PHE B 35 10.066 -2.822 -1.302 1.00 0.16 H new ATOM 0 HE2 PHE B 35 11.409 -3.234 -5.324 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.571 -3.194 -3.684 1.00 0.18 H new ATOM 1765 N THR B 36 15.328 -2.459 1.148 1.00 0.27 N ATOM 1766 CA THR B 36 14.839 -1.991 2.446 1.00 0.27 C ATOM 1767 C THR B 36 15.768 -0.918 3.016 1.00 0.32 C ATOM 1768 O THR B 36 16.708 -0.487 2.346 1.00 0.45 O ATOM 1769 CB THR B 36 14.668 -3.134 3.468 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.565 -4.216 3.175 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.232 -3.621 3.473 1.00 0.27 C ATOM 0 H THR B 36 16.272 -2.143 0.928 1.00 0.27 H new ATOM 0 HA THR B 36 13.852 -1.564 2.270 1.00 0.27 H new ATOM 0 HB THR B 36 14.911 -2.751 4.459 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.443 -4.930 3.835 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.124 -4.428 4.198 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.570 -2.799 3.744 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.969 -3.987 2.481 1.00 0.27 H new ATOM 1779 N ALA B 37 15.499 -0.485 4.243 1.00 0.32 N ATOM 1780 CA ALA B 37 16.247 0.609 4.855 1.00 0.35 C ATOM 1781 C ALA B 37 16.827 0.205 6.194 1.00 0.43 C ATOM 1782 O ALA B 37 16.853 -0.976 6.547 1.00 0.53 O ATOM 1783 CB ALA B 37 15.355 1.825 5.066 1.00 0.29 C ATOM 0 H ALA B 37 14.766 -0.876 4.835 1.00 0.32 H new ATOM 0 HA ALA B 37 17.058 0.856 4.170 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.935 2.627 5.523 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.965 2.161 4.105 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.525 1.558 5.721 1.00 0.29 H new ATOM 1789 N ARG B 38 17.280 1.215 6.921 1.00 0.44 N ATOM 1790 CA ARG B 38 17.790 1.064 8.269 1.00 0.52 C ATOM 1791 C ARG B 38 16.837 0.285 9.163 1.00 0.56 C ATOM 1792 O ARG B 38 17.232 -0.689 9.806 1.00 0.67 O ATOM 1793 CB ARG B 38 18.052 2.448 8.864 1.00 0.57 C ATOM 1794 CG ARG B 38 16.867 3.402 8.801 1.00 0.67 C ATOM 1795 CD ARG B 38 16.192 3.527 10.151 1.00 0.93 C ATOM 1796 NE ARG B 38 17.038 4.198 11.142 1.00 1.60 N ATOM 1797 CZ ARG B 38 16.748 4.271 12.443 1.00 2.28 C ATOM 1798 NH1 ARG B 38 15.688 3.638 12.932 1.00 2.75 N ATOM 1799 NH2 ARG B 38 17.544 4.946 13.261 1.00 2.94 N ATOM 0 H ARG B 38 17.303 2.177 6.582 1.00 0.44 H new ATOM 0 HA ARG B 38 18.717 0.493 8.216 1.00 0.52 H new ATOM 0 HB2 ARG B 38 18.351 2.330 9.905 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.894 2.901 8.340 1.00 0.57 H new ATOM 0 HG2 ARG B 38 17.204 4.384 8.468 1.00 0.67 H new ATOM 0 HG3 ARG B 38 16.148 3.045 8.064 1.00 0.67 H new ATOM 0 HD2 ARG B 38 15.261 4.082 10.038 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.929 2.534 10.515 1.00 0.93 H new ATOM 0 HE ARG B 38 17.900 4.636 10.818 1.00 1.60 H new ATOM 0 HH11 ARG B 38 15.090 3.092 12.312 1.00 2.75 H new ATOM 0 HH12 ARG B 38 15.472 3.698 13.927 1.00 2.75 H new ATOM 0 HH21 ARG B 38 18.377 5.409 12.896 1.00 2.94 H new ATOM 0 HH22 ARG B 38 17.324 5.003 14.255 1.00 2.94 H new ATOM 1813 N TRP B 39 15.593 0.732 9.185 1.00 0.54 N ATOM 1814 CA TRP B 39 14.547 0.130 9.983 1.00 0.64 C ATOM 1815 C TRP B 39 14.907 0.105 11.463 1.00 0.85 C ATOM 1816 O TRP B 39 14.822 1.174 12.099 1.00 1.41 O ATOM 1817 CB TRP B 39 14.234 -1.263 9.448 1.00 0.60 C ATOM 1818 CG TRP B 39 13.547 -1.200 8.137 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.706 -0.249 7.185 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.588 -2.115 7.645 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.869 -0.501 6.127 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.178 -1.655 6.387 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.029 -3.278 8.153 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.232 -2.328 5.633 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.096 -3.939 7.399 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.708 -3.465 6.153 1.00 0.25 C ATOM 1827 OXT TRP B 39 15.246 -0.975 11.991 1.00 1.45 O ATOM 0 H TRP B 39 15.280 1.535 8.640 1.00 0.54 H new ATOM 0 HA TRP B 39 13.649 0.742 9.901 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.159 -1.832 9.348 1.00 0.60 H new ATOM 0 HB3 TRP B 39 13.607 -1.796 10.163 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.390 0.584 7.249 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.777 0.073 5.289 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.323 -3.654 9.122 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.923 -1.961 4.666 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.653 -4.847 7.781 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.972 -4.015 5.585 1.00 0.25 H new