USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 819 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 187 HIS : no HE2:sc= -4.54 K(o=-6,f=-8.9!) USER MOD Set 1.2: A 191 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 206 MET CE :methyl 180:sc= -1.41 (180deg=-1.4) USER MOD Set 2.1: A 162 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 186 GLN : amide:sc= -0.609 K(o=-0.58,f=-3.1!) USER MOD Set 2.3: A 190 THR OG1 : rot 69:sc= 0.03 USER MOD Set 3.1: A 170 ASN : amide:sc= -0.0211 K(o=1.8,f=-0.56) USER MOD Set 3.2: A 171 ASN : amide:sc= 0.923 K(o=1.8,f=0.96) USER MOD Set 3.3: A 174 THR OG1 : rot -140:sc= 0.891 USER MOD Set 4.1: A 159 ASN : amide:sc= 0.405 K(o=0.81,f=-1) USER MOD Set 4.2: A 160 GLN :FLIP amide:sc= 0.409 F(o=-0.18,f=0.81) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl 180:sc= -0.271 (180deg=-0.271) USER MOD Single : A 132 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 134 MET CE :methyl -160:sc= -1.06 (180deg=-1.97!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 MET CE :methyl 163:sc= -0.555 (180deg=-1.1) USER MOD Single : A 140 HIS : no HE2:sc=-0.00563 X(o=-0.0056,f=-0.25) USER MOD Single : A 143 ASN : amide:sc= -1.73! C(o=-1.7!,f=-1.4!) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 163:sc= 1.25 USER MOD Single : A 153 ASN : amide:sc= 0.977 K(o=0.98,f=-3.8!) USER MOD Single : A 154 MET CE :methyl -141:sc= -0.807 (180deg=-4.65!) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 TYR OH : rot 180:sc=-0.00291 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD Single : A 168 GLN : amide:sc= 0.617 K(o=0.62,f=-3.9!) USER MOD Single : A 169 TYR OH : rot -11:sc= 1.35 USER MOD Single : A 172 GLN : amide:sc= -0.0343 X(o=-0.034,f=0) USER MOD Single : A 173 ASN : amide:sc= -0.0766 X(o=-0.077,f=-0.0014) USER MOD Single : A 177 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0.0055) USER MOD Single : A 181 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 183 THR OG1 : rot 75:sc= 1.71 USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 THR OG1 : rot -4:sc= 0.996 USER MOD Single : A 193 THR OG1 : rot 2:sc= 1.15 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 197 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 199 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 201 THR OG1 : rot 180:sc= 0 USER MOD Single : A 204 LYS NZ :NH3+ -168:sc= 1.3 (180deg=1.11) USER MOD Single : A 205 MET CE :methyl -124:sc= -0.182 (180deg=-0.946) USER MOD Single : A 212 GLN :FLIP amide:sc= -0.0898 F(o=-2.9!,f=-0.09) USER MOD Single : A 213 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 217 GLN : amide:sc= 0.275 K(o=0.28,f=-0.85) USER MOD Single : A 218 TYR OH : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= -0.336 X(o=-0.34,f=0) USER MOD Single : A 220 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 222 SER OG : rot 170:sc= 1.85 USER MOD Single : A 223 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N LEU A 125 6.229 -13.188 0.400 1.00 0.00 N ATOM 48 CA LEU A 125 6.733 -11.999 1.058 1.00 0.00 C ATOM 49 C LEU A 125 8.116 -12.319 1.611 1.00 0.00 C ATOM 50 O LEU A 125 8.272 -12.678 2.778 1.00 0.00 O ATOM 51 CB LEU A 125 5.761 -11.547 2.167 1.00 0.00 C ATOM 52 CG LEU A 125 4.787 -10.448 1.715 1.00 0.00 C ATOM 53 CD1 LEU A 125 3.467 -11.037 1.186 1.00 0.00 C ATOM 54 CD2 LEU A 125 4.529 -9.509 2.896 1.00 0.00 C ATOM 0 HA LEU A 125 6.812 -11.171 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.190 -12.409 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.337 -11.184 3.019 1.00 0.00 H new ATOM 0 HG LEU A 125 5.235 -9.894 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.806 -10.228 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.673 -11.684 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.986 -11.618 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.839 -8.722 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 125 4.095 -10.073 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.470 -9.062 3.218 1.00 0.00 H new ATOM 66 N GLY A 126 9.133 -12.128 0.776 1.00 0.00 N ATOM 67 CA GLY A 126 10.538 -12.250 1.149 1.00 0.00 C ATOM 68 C GLY A 126 10.997 -11.039 1.964 1.00 0.00 C ATOM 69 O GLY A 126 11.853 -10.275 1.514 1.00 0.00 O ATOM 0 H GLY A 126 8.999 -11.878 -0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 126 10.686 -13.161 1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 126 11.149 -12.341 0.251 1.00 0.00 H new ATOM 73 N GLY A 127 10.413 -10.825 3.144 1.00 0.00 N ATOM 74 CA GLY A 127 10.820 -9.765 4.058 1.00 0.00 C ATOM 75 C GLY A 127 10.418 -8.363 3.600 1.00 0.00 C ATOM 76 O GLY A 127 11.129 -7.404 3.902 1.00 0.00 O ATOM 0 H GLY A 127 9.638 -11.389 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 127 10.382 -9.956 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 127 11.903 -9.800 4.180 1.00 0.00 H new ATOM 80 N TYR A 128 9.306 -8.225 2.867 1.00 0.00 N ATOM 81 CA TYR A 128 8.732 -6.915 2.558 1.00 0.00 C ATOM 82 C TYR A 128 8.398 -6.219 3.879 1.00 0.00 C ATOM 83 O TYR A 128 7.753 -6.827 4.737 1.00 0.00 O ATOM 84 CB TYR A 128 7.463 -7.039 1.701 1.00 0.00 C ATOM 85 CG TYR A 128 7.684 -7.336 0.231 1.00 0.00 C ATOM 86 CD1 TYR A 128 8.028 -8.635 -0.183 1.00 0.00 C ATOM 87 CD2 TYR A 128 7.509 -6.321 -0.730 1.00 0.00 C ATOM 88 CE1 TYR A 128 8.192 -8.926 -1.548 1.00 0.00 C ATOM 89 CE2 TYR A 128 7.726 -6.590 -2.093 1.00 0.00 C ATOM 90 CZ TYR A 128 8.053 -7.900 -2.511 1.00 0.00 C ATOM 91 OH TYR A 128 8.259 -8.159 -3.830 1.00 0.00 O ATOM 0 H TYR A 128 8.786 -9.011 2.476 1.00 0.00 H new ATOM 0 HA TYR A 128 9.456 -6.336 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 128 6.839 -7.828 2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 128 6.900 -6.109 1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 128 8.167 -9.414 0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 128 7.207 -5.332 -0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 128 8.424 -9.933 -1.861 1.00 0.00 H new ATOM 0 HE2 TYR A 128 7.643 -5.796 -2.820 1.00 0.00 H new ATOM 0 HH TYR A 128 8.120 -7.340 -4.350 1.00 0.00 H new ATOM 101 N MET A 129 8.847 -4.981 4.053 1.00 0.00 N ATOM 102 CA MET A 129 8.592 -4.172 5.241 1.00 0.00 C ATOM 103 C MET A 129 7.182 -3.610 5.128 1.00 0.00 C ATOM 104 O MET A 129 6.843 -3.103 4.060 1.00 0.00 O ATOM 105 CB MET A 129 9.595 -3.009 5.278 1.00 0.00 C ATOM 106 CG MET A 129 11.045 -3.478 5.434 1.00 0.00 C ATOM 107 SD MET A 129 12.267 -2.331 4.746 1.00 0.00 S ATOM 108 CE MET A 129 12.042 -2.621 2.969 1.00 0.00 C ATOM 0 H MET A 129 9.413 -4.499 3.354 1.00 0.00 H new ATOM 0 HA MET A 129 8.695 -4.771 6.146 1.00 0.00 H new ATOM 0 HB2 MET A 129 9.503 -2.427 4.361 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.343 -2.344 6.104 1.00 0.00 H new ATOM 0 HG2 MET A 129 11.256 -3.626 6.493 1.00 0.00 H new ATOM 0 HG3 MET A 129 11.157 -4.447 4.948 1.00 0.00 H new ATOM 0 HE1 MET A 129 12.727 -1.986 2.407 1.00 0.00 H new ATOM 0 HE2 MET A 129 12.249 -3.667 2.742 1.00 0.00 H new ATOM 0 HE3 MET A 129 11.015 -2.385 2.689 1.00 0.00 H new ATOM 118 N LEU A 130 6.366 -3.663 6.187 1.00 0.00 N ATOM 119 CA LEU A 130 5.046 -3.025 6.190 1.00 0.00 C ATOM 120 C LEU A 130 5.214 -1.557 6.574 1.00 0.00 C ATOM 121 O LEU A 130 4.899 -1.183 7.699 1.00 0.00 O ATOM 122 CB LEU A 130 4.045 -3.755 7.114 1.00 0.00 C ATOM 123 CG LEU A 130 2.630 -3.123 7.142 1.00 0.00 C ATOM 124 CD1 LEU A 130 2.052 -2.876 5.740 1.00 0.00 C ATOM 125 CD2 LEU A 130 1.668 -4.014 7.935 1.00 0.00 C ATOM 0 H LEU A 130 6.599 -4.144 7.056 1.00 0.00 H new ATOM 0 HA LEU A 130 4.618 -3.089 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 130 3.961 -4.793 6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 130 4.446 -3.767 8.128 1.00 0.00 H new ATOM 0 HG LEU A 130 2.737 -2.152 7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 130 1.060 -2.433 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.705 -2.198 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.980 -3.823 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.677 -3.559 7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.611 -4.996 7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.031 -4.122 8.957 1.00 0.00 H new ATOM 137 N GLY A 131 5.685 -0.734 5.645 1.00 0.00 N ATOM 138 CA GLY A 131 5.767 0.716 5.759 1.00 0.00 C ATOM 139 C GLY A 131 6.530 1.212 6.986 1.00 0.00 C ATOM 140 O GLY A 131 7.097 0.436 7.759 1.00 0.00 O ATOM 0 H GLY A 131 6.036 -1.076 4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 131 6.247 1.112 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 131 4.756 1.124 5.786 1.00 0.00 H new ATOM 144 N SER A 132 6.505 2.525 7.186 1.00 0.00 N ATOM 145 CA SER A 132 6.843 3.147 8.446 1.00 0.00 C ATOM 146 C SER A 132 5.575 3.346 9.268 1.00 0.00 C ATOM 147 O SER A 132 5.495 2.909 10.412 1.00 0.00 O ATOM 148 CB SER A 132 7.540 4.474 8.159 1.00 0.00 C ATOM 149 OG SER A 132 6.852 5.287 7.221 1.00 0.00 O ATOM 0 H SER A 132 6.244 3.192 6.460 1.00 0.00 H new ATOM 0 HA SER A 132 7.518 2.515 9.023 1.00 0.00 H new ATOM 0 HB2 SER A 132 7.651 5.026 9.093 1.00 0.00 H new ATOM 0 HB3 SER A 132 8.544 4.274 7.786 1.00 0.00 H new ATOM 0 HG SER A 132 7.349 6.120 7.084 1.00 0.00 H new ATOM 155 N ALA A 133 4.635 4.067 8.657 1.00 0.00 N ATOM 156 CA ALA A 133 3.326 4.565 9.059 1.00 0.00 C ATOM 157 C ALA A 133 3.059 5.811 8.210 1.00 0.00 C ATOM 158 O ALA A 133 3.966 6.637 8.067 1.00 0.00 O ATOM 159 CB ALA A 133 3.270 4.888 10.555 1.00 0.00 C ATOM 0 H ALA A 133 4.815 4.364 7.698 1.00 0.00 H new ATOM 0 HA ALA A 133 2.561 3.805 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 133 2.276 5.256 10.811 1.00 0.00 H new ATOM 0 HB2 ALA A 133 3.482 3.987 11.130 1.00 0.00 H new ATOM 0 HB3 ALA A 133 4.011 5.652 10.790 1.00 0.00 H new ATOM 165 N MET A 134 1.844 5.980 7.680 1.00 0.00 N ATOM 166 CA MET A 134 1.401 7.224 7.052 1.00 0.00 C ATOM 167 C MET A 134 -0.053 7.493 7.420 1.00 0.00 C ATOM 168 O MET A 134 -0.773 6.600 7.865 1.00 0.00 O ATOM 169 CB MET A 134 1.560 7.192 5.522 1.00 0.00 C ATOM 170 CG MET A 134 3.028 7.298 5.111 1.00 0.00 C ATOM 171 SD MET A 134 3.344 7.660 3.361 1.00 0.00 S ATOM 172 CE MET A 134 3.274 6.026 2.587 1.00 0.00 C ATOM 0 H MET A 134 1.134 5.248 7.676 1.00 0.00 H new ATOM 0 HA MET A 134 2.035 8.028 7.426 1.00 0.00 H new ATOM 0 HB2 MET A 134 1.137 6.267 5.130 1.00 0.00 H new ATOM 0 HB3 MET A 134 0.996 8.013 5.079 1.00 0.00 H new ATOM 0 HG2 MET A 134 3.497 8.077 5.712 1.00 0.00 H new ATOM 0 HG3 MET A 134 3.523 6.360 5.362 1.00 0.00 H new ATOM 0 HE1 MET A 134 3.786 6.057 1.625 1.00 0.00 H new ATOM 0 HE2 MET A 134 3.760 5.296 3.234 1.00 0.00 H new ATOM 0 HE3 MET A 134 2.233 5.740 2.435 1.00 0.00 H new ATOM 182 N SER A 135 -0.472 8.736 7.212 1.00 0.00 N ATOM 183 CA SER A 135 -1.833 9.207 7.389 1.00 0.00 C ATOM 184 C SER A 135 -2.705 8.726 6.225 1.00 0.00 C ATOM 185 O SER A 135 -2.194 8.234 5.214 1.00 0.00 O ATOM 186 CB SER A 135 -1.785 10.740 7.425 1.00 0.00 C ATOM 187 OG SER A 135 -2.787 11.277 8.262 1.00 0.00 O ATOM 0 H SER A 135 0.160 9.474 6.901 1.00 0.00 H new ATOM 0 HA SER A 135 -2.263 8.819 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 135 -0.806 11.065 7.776 1.00 0.00 H new ATOM 0 HB3 SER A 135 -1.907 11.131 6.415 1.00 0.00 H new ATOM 0 HG SER A 135 -2.724 12.255 8.261 1.00 0.00 H new ATOM 193 N ARG A 136 -4.020 8.934 6.318 1.00 0.00 N ATOM 194 CA ARG A 136 -4.959 8.730 5.216 1.00 0.00 C ATOM 195 C ARG A 136 -4.920 9.925 4.252 1.00 0.00 C ATOM 196 O ARG A 136 -5.461 10.977 4.616 1.00 0.00 O ATOM 197 CB ARG A 136 -6.371 8.568 5.795 1.00 0.00 C ATOM 198 CG ARG A 136 -6.671 7.143 6.282 1.00 0.00 C ATOM 199 CD ARG A 136 -7.245 6.259 5.166 1.00 0.00 C ATOM 200 NE ARG A 136 -6.235 5.588 4.339 1.00 0.00 N ATOM 201 CZ ARG A 136 -5.716 4.381 4.590 1.00 0.00 C ATOM 202 NH1 ARG A 136 -6.104 3.688 5.659 1.00 0.00 N ATOM 203 NH2 ARG A 136 -4.813 3.882 3.756 1.00 0.00 N ATOM 0 H ARG A 136 -4.469 9.254 7.176 1.00 0.00 H new ATOM 0 HA ARG A 136 -4.681 7.834 4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -6.497 9.262 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -7.101 8.845 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -5.756 6.692 6.667 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -7.378 7.185 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -7.889 5.503 5.614 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -7.874 6.873 4.521 1.00 0.00 H new ATOM 0 HE ARG A 136 -5.903 6.080 3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -6.802 4.077 6.293 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -5.703 2.768 5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -4.524 4.417 2.937 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -4.408 2.963 3.933 1.00 0.00 H new ATOM 217 N PRO A 137 -4.362 9.794 3.034 1.00 0.00 N ATOM 218 CA PRO A 137 -4.490 10.824 2.012 1.00 0.00 C ATOM 219 C PRO A 137 -5.933 10.840 1.504 1.00 0.00 C ATOM 220 O PRO A 137 -6.524 9.773 1.318 1.00 0.00 O ATOM 221 CB PRO A 137 -3.517 10.416 0.900 1.00 0.00 C ATOM 222 CG PRO A 137 -3.478 8.892 1.005 1.00 0.00 C ATOM 223 CD PRO A 137 -3.670 8.631 2.493 1.00 0.00 C ATOM 0 HA PRO A 137 -4.261 11.824 2.381 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -3.867 10.742 -0.079 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -2.530 10.854 1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -4.266 8.429 0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -2.531 8.489 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -4.252 7.724 2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -2.710 8.487 2.988 1.00 0.00 H new ATOM 231 N MET A 138 -6.483 12.027 1.248 1.00 0.00 N ATOM 232 CA MET A 138 -7.723 12.222 0.510 1.00 0.00 C ATOM 233 C MET A 138 -7.393 12.192 -0.973 1.00 0.00 C ATOM 234 O MET A 138 -6.957 13.188 -1.554 1.00 0.00 O ATOM 235 CB MET A 138 -8.395 13.538 0.922 1.00 0.00 C ATOM 236 CG MET A 138 -9.787 13.653 0.292 1.00 0.00 C ATOM 237 SD MET A 138 -11.038 14.210 1.468 1.00 0.00 S ATOM 238 CE MET A 138 -12.455 13.306 0.785 1.00 0.00 C ATOM 0 H MET A 138 -6.063 12.903 1.559 1.00 0.00 H new ATOM 0 HA MET A 138 -8.434 11.428 0.736 1.00 0.00 H new ATOM 0 HB2 MET A 138 -8.476 13.587 2.008 1.00 0.00 H new ATOM 0 HB3 MET A 138 -7.778 14.381 0.610 1.00 0.00 H new ATOM 0 HG2 MET A 138 -9.746 14.349 -0.546 1.00 0.00 H new ATOM 0 HG3 MET A 138 -10.080 12.684 -0.112 1.00 0.00 H new ATOM 0 HE1 MET A 138 -13.254 13.268 1.526 1.00 0.00 H new ATOM 0 HE2 MET A 138 -12.814 13.815 -0.110 1.00 0.00 H new ATOM 0 HE3 MET A 138 -12.150 12.292 0.528 1.00 0.00 H new ATOM 248 N ILE A 139 -7.513 11.010 -1.561 1.00 0.00 N ATOM 249 CA ILE A 139 -7.321 10.779 -2.980 1.00 0.00 C ATOM 250 C ILE A 139 -8.475 11.494 -3.671 1.00 0.00 C ATOM 251 O ILE A 139 -9.628 11.146 -3.432 1.00 0.00 O ATOM 252 CB ILE A 139 -7.372 9.269 -3.264 1.00 0.00 C ATOM 253 CG1 ILE A 139 -6.434 8.441 -2.359 1.00 0.00 C ATOM 254 CG2 ILE A 139 -7.139 8.968 -4.753 1.00 0.00 C ATOM 255 CD1 ILE A 139 -5.001 8.307 -2.857 1.00 0.00 C ATOM 0 H ILE A 139 -7.754 10.163 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 139 -6.358 11.148 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 139 -8.383 8.950 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 139 -6.416 8.896 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 139 -6.856 7.443 -2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -7.182 7.891 -4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -7.910 9.457 -5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -6.159 9.342 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 139 -4.425 7.708 -2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -4.999 7.820 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -4.552 9.296 -2.944 1.00 0.00 H new ATOM 267 N HIS A 140 -8.172 12.502 -4.481 1.00 0.00 N ATOM 268 CA HIS A 140 -9.180 13.184 -5.275 1.00 0.00 C ATOM 269 C HIS A 140 -9.495 12.279 -6.463 1.00 0.00 C ATOM 270 O HIS A 140 -8.845 12.329 -7.511 1.00 0.00 O ATOM 271 CB HIS A 140 -8.691 14.577 -5.680 1.00 0.00 C ATOM 272 CG HIS A 140 -8.616 15.550 -4.524 1.00 0.00 C ATOM 273 ND1 HIS A 140 -8.619 15.247 -3.178 1.00 0.00 N ATOM 274 CD2 HIS A 140 -8.591 16.911 -4.639 1.00 0.00 C ATOM 275 CE1 HIS A 140 -8.611 16.405 -2.497 1.00 0.00 C ATOM 276 NE2 HIS A 140 -8.579 17.451 -3.343 1.00 0.00 N ATOM 0 H HIS A 140 -7.227 12.865 -4.604 1.00 0.00 H new ATOM 0 HA HIS A 140 -10.096 13.357 -4.711 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -7.704 14.489 -6.135 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -9.358 14.981 -6.441 1.00 0.00 H new ATOM 0 HD1 HIS A 140 -8.626 14.311 -2.772 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -8.582 17.472 -5.562 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -8.628 16.485 -1.420 1.00 0.00 H new ATOM 284 N PHE A 141 -10.459 11.381 -6.275 1.00 0.00 N ATOM 285 CA PHE A 141 -10.834 10.383 -7.267 1.00 0.00 C ATOM 286 C PHE A 141 -11.440 11.020 -8.519 1.00 0.00 C ATOM 287 O PHE A 141 -11.492 10.388 -9.573 1.00 0.00 O ATOM 288 CB PHE A 141 -11.801 9.402 -6.638 1.00 0.00 C ATOM 289 CG PHE A 141 -11.121 8.341 -5.798 1.00 0.00 C ATOM 290 CD1 PHE A 141 -10.576 7.200 -6.416 1.00 0.00 C ATOM 291 CD2 PHE A 141 -11.077 8.460 -4.400 1.00 0.00 C ATOM 292 CE1 PHE A 141 -9.924 6.227 -5.651 1.00 0.00 C ATOM 293 CE2 PHE A 141 -10.453 7.464 -3.632 1.00 0.00 C ATOM 294 CZ PHE A 141 -9.839 6.364 -4.258 1.00 0.00 C ATOM 0 H PHE A 141 -11.008 11.327 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.935 9.858 -7.589 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -12.509 9.949 -6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -12.378 8.917 -7.425 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -10.661 7.075 -7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -11.523 9.316 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -9.485 5.367 -6.135 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -10.444 7.543 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 141 -9.306 5.631 -3.670 1.00 0.00 H new ATOM 304 N GLY A 142 -11.914 12.262 -8.428 1.00 0.00 N ATOM 305 CA GLY A 142 -12.549 12.962 -9.533 1.00 0.00 C ATOM 306 C GLY A 142 -14.050 12.691 -9.552 1.00 0.00 C ATOM 307 O GLY A 142 -14.821 13.631 -9.741 1.00 0.00 O ATOM 0 H GLY A 142 -11.865 12.814 -7.571 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -12.369 14.033 -9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -12.105 12.642 -10.476 1.00 0.00 H new ATOM 311 N ASN A 143 -14.491 11.451 -9.295 1.00 0.00 N ATOM 312 CA ASN A 143 -15.922 11.201 -9.138 1.00 0.00 C ATOM 313 C ASN A 143 -16.362 11.758 -7.796 1.00 0.00 C ATOM 314 O ASN A 143 -15.590 11.798 -6.834 1.00 0.00 O ATOM 315 CB ASN A 143 -16.276 9.710 -9.173 1.00 0.00 C ATOM 316 CG ASN A 143 -16.317 9.120 -10.570 1.00 0.00 C ATOM 317 OD1 ASN A 143 -16.501 9.820 -11.560 1.00 0.00 O ATOM 318 ND2 ASN A 143 -16.272 7.806 -10.693 1.00 0.00 N ATOM 0 H ASN A 143 -13.894 10.630 -9.195 1.00 0.00 H new ATOM 0 HA ASN A 143 -16.430 11.683 -9.973 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -15.547 9.160 -8.578 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -17.247 9.566 -8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -16.390 7.375 -11.610 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -16.119 7.222 -9.871 1.00 0.00 H new ATOM 325 N ASP A 144 -17.638 12.116 -7.713 1.00 0.00 N ATOM 326 CA ASP A 144 -18.220 12.680 -6.499 1.00 0.00 C ATOM 327 C ASP A 144 -18.334 11.654 -5.389 1.00 0.00 C ATOM 328 O ASP A 144 -17.941 11.903 -4.245 1.00 0.00 O ATOM 329 CB ASP A 144 -19.587 13.287 -6.816 1.00 0.00 C ATOM 330 CG ASP A 144 -20.077 14.083 -5.617 1.00 0.00 C ATOM 331 OD1 ASP A 144 -19.698 15.268 -5.516 1.00 0.00 O ATOM 332 OD2 ASP A 144 -20.793 13.520 -4.764 1.00 0.00 O ATOM 0 H ASP A 144 -18.299 12.024 -8.485 1.00 0.00 H new ATOM 0 HA ASP A 144 -17.551 13.461 -6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -19.516 13.933 -7.691 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -20.300 12.499 -7.059 1.00 0.00 H new ATOM 337 N TRP A 145 -18.831 10.473 -5.741 1.00 0.00 N ATOM 338 CA TRP A 145 -18.992 9.424 -4.764 1.00 0.00 C ATOM 339 C TRP A 145 -17.672 8.795 -4.412 1.00 0.00 C ATOM 340 O TRP A 145 -17.563 8.365 -3.281 1.00 0.00 O ATOM 341 CB TRP A 145 -19.920 8.318 -5.230 1.00 0.00 C ATOM 342 CG TRP A 145 -19.415 7.470 -6.377 1.00 0.00 C ATOM 343 CD1 TRP A 145 -19.412 7.782 -7.696 1.00 0.00 C ATOM 344 CD2 TRP A 145 -18.693 6.208 -6.289 1.00 0.00 C ATOM 345 NE1 TRP A 145 -18.737 6.812 -8.422 1.00 0.00 N ATOM 346 CE2 TRP A 145 -18.276 5.811 -7.592 1.00 0.00 C ATOM 347 CE3 TRP A 145 -18.275 5.407 -5.210 1.00 0.00 C ATOM 348 CZ2 TRP A 145 -17.466 4.682 -7.793 1.00 0.00 C ATOM 349 CZ3 TRP A 145 -17.447 4.289 -5.397 1.00 0.00 C ATOM 350 CH2 TRP A 145 -17.042 3.928 -6.691 1.00 0.00 C ATOM 0 H TRP A 145 -19.124 10.228 -6.687 1.00 0.00 H new ATOM 0 HA TRP A 145 -19.430 9.911 -3.893 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -20.127 7.663 -4.383 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -20.868 8.767 -5.526 1.00 0.00 H new ATOM 0 HD1 TRP A 145 -19.871 8.662 -8.122 1.00 0.00 H new ATOM 0 HE1 TRP A 145 -18.600 6.836 -9.432 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -18.600 5.659 -4.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 -17.171 4.396 -8.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -17.122 3.708 -4.547 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -16.404 3.069 -6.837 1.00 0.00 H new ATOM 361 N GLU A 146 -16.702 8.696 -5.323 1.00 0.00 N ATOM 362 CA GLU A 146 -15.487 7.947 -5.010 1.00 0.00 C ATOM 363 C GLU A 146 -14.784 8.606 -3.821 1.00 0.00 C ATOM 364 O GLU A 146 -14.237 7.927 -2.961 1.00 0.00 O ATOM 365 CB GLU A 146 -14.545 7.878 -6.222 1.00 0.00 C ATOM 366 CG GLU A 146 -15.079 6.847 -7.221 1.00 0.00 C ATOM 367 CD GLU A 146 -14.357 6.706 -8.566 1.00 0.00 C ATOM 368 OE1 GLU A 146 -13.687 7.650 -9.041 1.00 0.00 O ATOM 369 OE2 GLU A 146 -14.694 5.732 -9.275 1.00 0.00 O ATOM 0 H GLU A 146 -16.731 9.111 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 146 -15.761 6.924 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -14.472 8.857 -6.696 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -13.540 7.603 -5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -15.068 5.873 -6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -16.122 7.090 -7.426 1.00 0.00 H new ATOM 376 N ASP A 147 -14.887 9.933 -3.732 1.00 0.00 N ATOM 377 CA ASP A 147 -14.299 10.766 -2.707 1.00 0.00 C ATOM 378 C ASP A 147 -15.109 10.597 -1.427 1.00 0.00 C ATOM 379 O ASP A 147 -14.537 10.341 -0.365 1.00 0.00 O ATOM 380 CB ASP A 147 -14.322 12.216 -3.212 1.00 0.00 C ATOM 381 CG ASP A 147 -12.914 12.779 -3.395 1.00 0.00 C ATOM 382 OD1 ASP A 147 -12.169 12.860 -2.402 1.00 0.00 O ATOM 383 OD2 ASP A 147 -12.610 13.229 -4.528 1.00 0.00 O ATOM 0 H ASP A 147 -15.414 10.476 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 147 -13.267 10.488 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 147 -14.857 12.261 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 147 -14.872 12.838 -2.506 1.00 0.00 H new ATOM 388 N ARG A 148 -16.448 10.700 -1.528 1.00 0.00 N ATOM 389 CA ARG A 148 -17.333 10.539 -0.391 1.00 0.00 C ATOM 390 C ARG A 148 -17.165 9.149 0.209 1.00 0.00 C ATOM 391 O ARG A 148 -16.818 9.001 1.376 1.00 0.00 O ATOM 392 CB ARG A 148 -18.803 10.800 -0.780 1.00 0.00 C ATOM 393 CG ARG A 148 -19.639 10.813 0.504 1.00 0.00 C ATOM 394 CD ARG A 148 -21.159 10.721 0.323 1.00 0.00 C ATOM 395 NE ARG A 148 -21.635 9.325 0.315 1.00 0.00 N ATOM 396 CZ ARG A 148 -22.906 8.908 0.234 1.00 0.00 C ATOM 397 NH1 ARG A 148 -23.918 9.774 0.172 1.00 0.00 N ATOM 398 NH2 ARG A 148 -23.146 7.602 0.203 1.00 0.00 N ATOM 0 H ARG A 148 -16.932 10.897 -2.404 1.00 0.00 H new ATOM 0 HA ARG A 148 -17.061 11.279 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -18.895 11.751 -1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -19.160 10.026 -1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -19.318 9.981 1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -19.414 11.729 1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -21.653 11.267 1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -21.442 11.205 -0.612 1.00 0.00 H new ATOM 0 HE ARG A 148 -20.921 8.600 0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -23.733 10.777 0.186 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -24.878 9.434 0.111 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -22.371 6.940 0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -24.105 7.261 0.142 1.00 0.00 H new ATOM 412 N TYR A 149 -17.470 8.147 -0.606 1.00 0.00 N ATOM 413 CA TYR A 149 -17.440 6.735 -0.320 1.00 0.00 C ATOM 414 C TYR A 149 -16.184 6.417 0.471 1.00 0.00 C ATOM 415 O TYR A 149 -16.261 5.932 1.602 1.00 0.00 O ATOM 416 CB TYR A 149 -17.518 5.939 -1.621 1.00 0.00 C ATOM 417 CG TYR A 149 -17.615 4.444 -1.442 1.00 0.00 C ATOM 418 CD1 TYR A 149 -18.833 3.887 -1.020 1.00 0.00 C ATOM 419 CD2 TYR A 149 -16.515 3.615 -1.729 1.00 0.00 C ATOM 420 CE1 TYR A 149 -18.983 2.492 -0.957 1.00 0.00 C ATOM 421 CE2 TYR A 149 -16.651 2.217 -1.640 1.00 0.00 C ATOM 422 CZ TYR A 149 -17.900 1.650 -1.299 1.00 0.00 C ATOM 423 OH TYR A 149 -18.062 0.303 -1.320 1.00 0.00 O ATOM 0 H TYR A 149 -17.769 8.327 -1.564 1.00 0.00 H new ATOM 0 HA TYR A 149 -18.302 6.451 0.284 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -18.384 6.280 -2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -16.636 6.163 -2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -19.655 4.531 -0.744 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -15.569 4.050 -2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -19.925 2.063 -0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -15.802 1.578 -1.832 1.00 0.00 H new ATOM 0 HH TYR A 149 -17.218 -0.124 -1.577 1.00 0.00 H new ATOM 433 N TYR A 150 -15.039 6.764 -0.125 1.00 0.00 N ATOM 434 CA TYR A 150 -13.742 6.555 0.463 1.00 0.00 C ATOM 435 C TYR A 150 -13.654 7.194 1.841 1.00 0.00 C ATOM 436 O TYR A 150 -13.367 6.486 2.803 1.00 0.00 O ATOM 437 CB TYR A 150 -12.650 7.094 -0.468 1.00 0.00 C ATOM 438 CG TYR A 150 -11.254 7.105 0.119 1.00 0.00 C ATOM 439 CD1 TYR A 150 -10.590 5.902 0.421 1.00 0.00 C ATOM 440 CD2 TYR A 150 -10.614 8.335 0.347 1.00 0.00 C ATOM 441 CE1 TYR A 150 -9.299 5.924 0.983 1.00 0.00 C ATOM 442 CE2 TYR A 150 -9.327 8.364 0.900 1.00 0.00 C ATOM 443 CZ TYR A 150 -8.663 7.165 1.237 1.00 0.00 C ATOM 444 OH TYR A 150 -7.415 7.229 1.789 1.00 0.00 O ATOM 0 H TYR A 150 -15.003 7.204 -1.044 1.00 0.00 H new ATOM 0 HA TYR A 150 -13.589 5.484 0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -12.640 6.493 -1.377 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -12.913 8.111 -0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -11.073 4.957 0.221 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -11.114 9.259 0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -8.795 4.998 1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -8.839 9.312 1.070 1.00 0.00 H new ATOM 0 HH TYR A 150 -7.037 8.121 1.640 1.00 0.00 H new ATOM 454 N ARG A 151 -13.894 8.506 1.977 1.00 0.00 N ATOM 455 CA ARG A 151 -13.658 9.179 3.258 1.00 0.00 C ATOM 456 C ARG A 151 -14.460 8.578 4.410 1.00 0.00 C ATOM 457 O ARG A 151 -14.054 8.700 5.566 1.00 0.00 O ATOM 458 CB ARG A 151 -13.859 10.697 3.144 1.00 0.00 C ATOM 459 CG ARG A 151 -15.323 11.147 3.023 1.00 0.00 C ATOM 460 CD ARG A 151 -15.495 12.590 3.476 1.00 0.00 C ATOM 461 NE ARG A 151 -16.888 13.040 3.347 1.00 0.00 N ATOM 462 CZ ARG A 151 -17.255 14.324 3.306 1.00 0.00 C ATOM 463 NH1 ARG A 151 -16.375 15.287 3.554 1.00 0.00 N ATOM 464 NH2 ARG A 151 -18.506 14.641 3.018 1.00 0.00 N ATOM 0 H ARG A 151 -14.244 9.109 1.233 1.00 0.00 H new ATOM 0 HA ARG A 151 -12.611 9.005 3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -13.418 11.174 4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -13.310 11.057 2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -15.653 11.046 1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -15.957 10.496 3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -15.177 12.685 4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -14.848 13.237 2.884 1.00 0.00 H new ATOM 0 HE ARG A 151 -17.618 12.330 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -15.409 15.049 3.778 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -16.665 16.264 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -19.187 13.906 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -18.790 15.620 2.986 1.00 0.00 H new ATOM 478 N GLU A 152 -15.573 7.922 4.097 1.00 0.00 N ATOM 479 CA GLU A 152 -16.387 7.196 5.050 1.00 0.00 C ATOM 480 C GLU A 152 -15.740 5.850 5.405 1.00 0.00 C ATOM 481 O GLU A 152 -15.436 5.639 6.576 1.00 0.00 O ATOM 482 CB GLU A 152 -17.830 7.107 4.522 1.00 0.00 C ATOM 483 CG GLU A 152 -18.431 8.524 4.424 1.00 0.00 C ATOM 484 CD GLU A 152 -19.953 8.539 4.342 1.00 0.00 C ATOM 485 OE1 GLU A 152 -20.513 8.099 3.313 1.00 0.00 O ATOM 486 OE2 GLU A 152 -20.586 9.050 5.300 1.00 0.00 O ATOM 0 H GLU A 152 -15.939 7.883 3.146 1.00 0.00 H new ATOM 0 HA GLU A 152 -16.444 7.730 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -17.841 6.627 3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -18.434 6.489 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -18.117 9.103 5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -18.024 9.022 3.544 1.00 0.00 H new ATOM 493 N ASN A 153 -15.511 4.946 4.448 1.00 0.00 N ATOM 494 CA ASN A 153 -15.044 3.561 4.672 1.00 0.00 C ATOM 495 C ASN A 153 -13.515 3.389 4.720 1.00 0.00 C ATOM 496 O ASN A 153 -13.021 2.260 4.835 1.00 0.00 O ATOM 497 CB ASN A 153 -15.647 2.634 3.609 1.00 0.00 C ATOM 498 CG ASN A 153 -15.260 3.013 2.183 1.00 0.00 C ATOM 499 OD1 ASN A 153 -14.125 3.370 1.878 1.00 0.00 O ATOM 500 ND2 ASN A 153 -16.228 2.963 1.290 1.00 0.00 N ATOM 0 H ASN A 153 -15.648 5.159 3.460 1.00 0.00 H new ATOM 0 HA ASN A 153 -15.392 3.291 5.669 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -15.325 1.611 3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -16.733 2.649 3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -16.042 3.224 0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -17.163 2.663 1.567 1.00 0.00 H new ATOM 507 N MET A 154 -12.746 4.476 4.643 1.00 0.00 N ATOM 508 CA MET A 154 -11.296 4.439 4.470 1.00 0.00 C ATOM 509 C MET A 154 -10.524 3.723 5.586 1.00 0.00 C ATOM 510 O MET A 154 -9.360 3.367 5.379 1.00 0.00 O ATOM 511 CB MET A 154 -10.727 5.853 4.302 1.00 0.00 C ATOM 512 CG MET A 154 -11.064 6.781 5.480 1.00 0.00 C ATOM 513 SD MET A 154 -9.887 8.131 5.755 1.00 0.00 S ATOM 514 CE MET A 154 -10.058 9.093 4.237 1.00 0.00 C ATOM 0 H MET A 154 -13.121 5.423 4.700 1.00 0.00 H new ATOM 0 HA MET A 154 -11.151 3.848 3.566 1.00 0.00 H new ATOM 0 HB2 MET A 154 -9.644 5.792 4.193 1.00 0.00 H new ATOM 0 HB3 MET A 154 -11.116 6.288 3.381 1.00 0.00 H new ATOM 0 HG2 MET A 154 -12.052 7.209 5.314 1.00 0.00 H new ATOM 0 HG3 MET A 154 -11.125 6.182 6.389 1.00 0.00 H new ATOM 0 HE1 MET A 154 -9.079 9.453 3.922 1.00 0.00 H new ATOM 0 HE2 MET A 154 -10.483 8.465 3.454 1.00 0.00 H new ATOM 0 HE3 MET A 154 -10.716 9.943 4.417 1.00 0.00 H new ATOM 524 N TYR A 155 -11.135 3.510 6.755 1.00 0.00 N ATOM 525 CA TYR A 155 -10.523 2.806 7.879 1.00 0.00 C ATOM 526 C TYR A 155 -10.148 1.364 7.523 1.00 0.00 C ATOM 527 O TYR A 155 -9.266 0.790 8.156 1.00 0.00 O ATOM 528 CB TYR A 155 -11.470 2.843 9.089 1.00 0.00 C ATOM 529 CG TYR A 155 -12.920 2.486 8.798 1.00 0.00 C ATOM 530 CD1 TYR A 155 -13.324 1.142 8.670 1.00 0.00 C ATOM 531 CD2 TYR A 155 -13.869 3.513 8.641 1.00 0.00 C ATOM 532 CE1 TYR A 155 -14.661 0.831 8.364 1.00 0.00 C ATOM 533 CE2 TYR A 155 -15.211 3.207 8.359 1.00 0.00 C ATOM 534 CZ TYR A 155 -15.611 1.865 8.211 1.00 0.00 C ATOM 535 OH TYR A 155 -16.910 1.597 7.914 1.00 0.00 O ATOM 0 H TYR A 155 -12.085 3.828 6.947 1.00 0.00 H new ATOM 0 HA TYR A 155 -9.594 3.318 8.131 1.00 0.00 H new ATOM 0 HB2 TYR A 155 -11.090 2.157 9.846 1.00 0.00 H new ATOM 0 HB3 TYR A 155 -11.440 3.843 9.521 1.00 0.00 H new ATOM 0 HD1 TYR A 155 -12.605 0.348 8.807 1.00 0.00 H new ATOM 0 HD2 TYR A 155 -13.564 4.544 8.738 1.00 0.00 H new ATOM 0 HE1 TYR A 155 -14.962 -0.200 8.246 1.00 0.00 H new ATOM 0 HE2 TYR A 155 -15.936 4.001 8.256 1.00 0.00 H new ATOM 0 HH TYR A 155 -17.411 2.437 7.850 1.00 0.00 H new ATOM 545 N ARG A 156 -10.766 0.769 6.499 1.00 0.00 N ATOM 546 CA ARG A 156 -10.538 -0.633 6.162 1.00 0.00 C ATOM 547 C ARG A 156 -9.116 -0.837 5.638 1.00 0.00 C ATOM 548 O ARG A 156 -8.459 -1.820 5.992 1.00 0.00 O ATOM 549 CB ARG A 156 -11.602 -1.091 5.150 1.00 0.00 C ATOM 550 CG ARG A 156 -12.996 -1.160 5.801 1.00 0.00 C ATOM 551 CD ARG A 156 -14.128 -1.694 4.909 1.00 0.00 C ATOM 552 NE ARG A 156 -13.819 -2.991 4.253 1.00 0.00 N ATOM 553 CZ ARG A 156 -14.222 -3.344 3.019 1.00 0.00 C ATOM 554 NH1 ARG A 156 -15.100 -2.607 2.363 1.00 0.00 N ATOM 555 NH2 ARG A 156 -13.744 -4.400 2.376 1.00 0.00 N ATOM 0 H ARG A 156 -11.431 1.242 5.888 1.00 0.00 H new ATOM 0 HA ARG A 156 -10.633 -1.248 7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -11.626 -0.402 4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -11.334 -2.070 4.754 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -12.931 -1.790 6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -13.267 -0.160 6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -15.029 -1.809 5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -14.351 -0.954 4.141 1.00 0.00 H new ATOM 0 HE ARG A 156 -13.260 -3.664 4.777 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -15.478 -1.762 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -15.400 -2.883 1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -13.037 -4.988 2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -14.084 -4.624 1.441 1.00 0.00 H new ATOM 569 N TYR A 157 -8.645 0.085 4.801 1.00 0.00 N ATOM 570 CA TYR A 157 -7.365 0.012 4.108 1.00 0.00 C ATOM 571 C TYR A 157 -6.201 0.158 5.100 1.00 0.00 C ATOM 572 O TYR A 157 -6.336 0.900 6.078 1.00 0.00 O ATOM 573 CB TYR A 157 -7.350 1.144 3.074 1.00 0.00 C ATOM 574 CG TYR A 157 -8.526 1.107 2.114 1.00 0.00 C ATOM 575 CD1 TYR A 157 -8.720 0.006 1.258 1.00 0.00 C ATOM 576 CD2 TYR A 157 -9.475 2.145 2.144 1.00 0.00 C ATOM 577 CE1 TYR A 157 -9.859 -0.056 0.435 1.00 0.00 C ATOM 578 CE2 TYR A 157 -10.642 2.064 1.366 1.00 0.00 C ATOM 579 CZ TYR A 157 -10.840 0.957 0.513 1.00 0.00 C ATOM 580 OH TYR A 157 -12.005 0.827 -0.170 1.00 0.00 O ATOM 0 H TYR A 157 -9.165 0.934 4.580 1.00 0.00 H new ATOM 0 HA TYR A 157 -7.244 -0.955 3.619 1.00 0.00 H new ATOM 0 HB2 TYR A 157 -7.348 2.101 3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 157 -6.423 1.090 2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 157 -7.993 -0.792 1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 157 -9.305 3.009 2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 157 -9.983 -0.877 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 157 -11.385 2.846 1.420 1.00 0.00 H new ATOM 0 HH TYR A 157 -12.569 1.611 -0.006 1.00 0.00 H new ATOM 590 N PRO A 158 -5.021 -0.447 4.860 1.00 0.00 N ATOM 591 CA PRO A 158 -3.895 -0.339 5.781 1.00 0.00 C ATOM 592 C PRO A 158 -3.417 1.106 5.818 1.00 0.00 C ATOM 593 O PRO A 158 -3.386 1.768 4.781 1.00 0.00 O ATOM 594 CB PRO A 158 -2.828 -1.285 5.226 1.00 0.00 C ATOM 595 CG PRO A 158 -3.101 -1.299 3.725 1.00 0.00 C ATOM 596 CD PRO A 158 -4.622 -1.186 3.669 1.00 0.00 C ATOM 0 HA PRO A 158 -4.148 -0.610 6.806 1.00 0.00 H new ATOM 0 HB2 PRO A 158 -1.822 -0.927 5.447 1.00 0.00 H new ATOM 0 HB3 PRO A 158 -2.914 -2.282 5.658 1.00 0.00 H new ATOM 0 HG2 PRO A 158 -2.613 -0.468 3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 158 -2.744 -2.216 3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 158 -4.940 -0.667 2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 158 -5.085 -2.173 3.650 1.00 0.00 H new ATOM 604 N ASN A 159 -3.030 1.623 6.984 1.00 0.00 N ATOM 605 CA ASN A 159 -2.352 2.923 7.056 1.00 0.00 C ATOM 606 C ASN A 159 -0.928 2.848 6.481 1.00 0.00 C ATOM 607 O ASN A 159 -0.353 3.875 6.123 1.00 0.00 O ATOM 608 CB ASN A 159 -2.327 3.454 8.497 1.00 0.00 C ATOM 609 CG ASN A 159 -1.279 2.773 9.366 1.00 0.00 C ATOM 610 OD1 ASN A 159 -1.155 1.551 9.324 1.00 0.00 O ATOM 611 ND2 ASN A 159 -0.530 3.529 10.147 1.00 0.00 N ATOM 0 H ASN A 159 -3.171 1.168 7.886 1.00 0.00 H new ATOM 0 HA ASN A 159 -2.923 3.622 6.444 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -2.134 4.527 8.479 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -3.310 3.314 8.947 1.00 0.00 H new ATOM 0 HD21 ASN A 159 0.180 3.102 10.742 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -0.661 4.540 10.156 1.00 0.00 H new ATOM 618 N GLN A 160 -0.368 1.643 6.344 1.00 0.00 N ATOM 619 CA GLN A 160 0.964 1.390 5.807 1.00 0.00 C ATOM 620 C GLN A 160 0.853 0.741 4.420 1.00 0.00 C ATOM 621 O GLN A 160 -0.255 0.452 3.960 1.00 0.00 O ATOM 622 CB GLN A 160 1.786 0.593 6.841 1.00 0.00 C ATOM 623 CG GLN A 160 2.122 1.504 8.022 1.00 0.00 C ATOM 624 CD GLN A 160 2.467 0.827 9.343 1.00 0.00 C ATOM 625 OE1 GLN A 160 3.717 0.472 9.547 1.00 0.00 O flip ATOM 626 NE2 GLN A 160 1.616 0.675 10.219 1.00 0.00 N flip ATOM 0 H GLN A 160 -0.852 0.787 6.616 1.00 0.00 H new ATOM 0 HA GLN A 160 1.513 2.318 5.643 1.00 0.00 H new ATOM 0 HB2 GLN A 160 1.221 -0.274 7.184 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.701 0.216 6.384 1.00 0.00 H new ATOM 0 HG2 GLN A 160 2.964 2.134 7.735 1.00 0.00 H new ATOM 0 HG3 GLN A 160 1.272 2.165 8.192 1.00 0.00 H new ATOM 0 HE21 GLN A 160 0.651 0.955 10.046 1.00 0.00 H new ATOM 0 HE22 GLN A 160 1.876 0.269 11.118 1.00 0.00 H new ATOM 635 N VAL A 161 1.981 0.530 3.742 1.00 0.00 N ATOM 636 CA VAL A 161 2.072 -0.217 2.489 1.00 0.00 C ATOM 637 C VAL A 161 3.298 -1.118 2.579 1.00 0.00 C ATOM 638 O VAL A 161 4.280 -0.745 3.221 1.00 0.00 O ATOM 639 CB VAL A 161 2.128 0.729 1.270 1.00 0.00 C ATOM 640 CG1 VAL A 161 0.802 1.479 1.116 1.00 0.00 C ATOM 641 CG2 VAL A 161 3.268 1.762 1.309 1.00 0.00 C ATOM 0 H VAL A 161 2.883 0.885 4.059 1.00 0.00 H new ATOM 0 HA VAL A 161 1.180 -0.827 2.344 1.00 0.00 H new ATOM 0 HB VAL A 161 2.320 0.076 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 161 0.857 2.142 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -0.007 0.762 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 161 0.610 2.067 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 161 3.228 2.382 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 161 3.158 2.392 2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 161 4.227 1.245 1.350 1.00 0.00 H new ATOM 651 N TYR A 162 3.251 -2.308 1.986 1.00 0.00 N ATOM 652 CA TYR A 162 4.394 -3.205 2.021 1.00 0.00 C ATOM 653 C TYR A 162 5.362 -2.867 0.894 1.00 0.00 C ATOM 654 O TYR A 162 4.933 -2.783 -0.251 1.00 0.00 O ATOM 655 CB TYR A 162 3.972 -4.649 1.839 1.00 0.00 C ATOM 656 CG TYR A 162 3.496 -5.385 3.075 1.00 0.00 C ATOM 657 CD1 TYR A 162 4.437 -5.939 3.965 1.00 0.00 C ATOM 658 CD2 TYR A 162 2.123 -5.588 3.299 1.00 0.00 C ATOM 659 CE1 TYR A 162 4.015 -6.702 5.067 1.00 0.00 C ATOM 660 CE2 TYR A 162 1.693 -6.337 4.410 1.00 0.00 C ATOM 661 CZ TYR A 162 2.636 -6.895 5.303 1.00 0.00 C ATOM 662 OH TYR A 162 2.227 -7.626 6.379 1.00 0.00 O ATOM 0 H TYR A 162 2.441 -2.668 1.481 1.00 0.00 H new ATOM 0 HA TYR A 162 4.867 -3.080 2.995 1.00 0.00 H new ATOM 0 HB2 TYR A 162 3.173 -4.678 1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 162 4.815 -5.199 1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 162 5.492 -5.776 3.799 1.00 0.00 H new ATOM 0 HD2 TYR A 162 1.398 -5.169 2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 162 4.744 -7.140 5.732 1.00 0.00 H new ATOM 0 HE2 TYR A 162 0.637 -6.486 4.581 1.00 0.00 H new ATOM 0 HH TYR A 162 1.248 -7.662 6.397 1.00 0.00 H new ATOM 672 N TYR A 163 6.661 -2.778 1.173 1.00 0.00 N ATOM 673 CA TYR A 163 7.670 -2.379 0.198 1.00 0.00 C ATOM 674 C TYR A 163 8.981 -3.147 0.413 1.00 0.00 C ATOM 675 O TYR A 163 9.095 -3.959 1.336 1.00 0.00 O ATOM 676 CB TYR A 163 7.856 -0.857 0.282 1.00 0.00 C ATOM 677 CG TYR A 163 8.573 -0.384 1.528 1.00 0.00 C ATOM 678 CD1 TYR A 163 7.893 -0.355 2.761 1.00 0.00 C ATOM 679 CD2 TYR A 163 9.928 -0.007 1.457 1.00 0.00 C ATOM 680 CE1 TYR A 163 8.552 0.124 3.909 1.00 0.00 C ATOM 681 CE2 TYR A 163 10.597 0.418 2.614 1.00 0.00 C ATOM 682 CZ TYR A 163 9.901 0.531 3.833 1.00 0.00 C ATOM 683 OH TYR A 163 10.559 1.007 4.920 1.00 0.00 O ATOM 0 H TYR A 163 7.046 -2.984 2.095 1.00 0.00 H new ATOM 0 HA TYR A 163 7.339 -2.632 -0.809 1.00 0.00 H new ATOM 0 HB2 TYR A 163 8.414 -0.522 -0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 163 6.877 -0.380 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 163 6.871 -0.699 2.825 1.00 0.00 H new ATOM 0 HD2 TYR A 163 10.451 -0.045 0.513 1.00 0.00 H new ATOM 0 HE1 TYR A 163 8.024 0.180 4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 163 11.649 0.659 2.570 1.00 0.00 H new ATOM 0 HH TYR A 163 11.479 1.235 4.672 1.00 0.00 H new ATOM 693 N ARG A 164 9.971 -2.913 -0.452 1.00 0.00 N ATOM 694 CA ARG A 164 11.283 -3.557 -0.453 1.00 0.00 C ATOM 695 C ARG A 164 12.374 -2.506 -0.611 1.00 0.00 C ATOM 696 O ARG A 164 12.049 -1.380 -0.983 1.00 0.00 O ATOM 697 CB ARG A 164 11.348 -4.585 -1.599 1.00 0.00 C ATOM 698 CG ARG A 164 11.067 -6.015 -1.125 1.00 0.00 C ATOM 699 CD ARG A 164 11.118 -7.010 -2.292 1.00 0.00 C ATOM 700 NE ARG A 164 12.497 -7.289 -2.720 1.00 0.00 N ATOM 701 CZ ARG A 164 12.906 -7.726 -3.914 1.00 0.00 C ATOM 702 NH1 ARG A 164 12.091 -7.731 -4.960 1.00 0.00 N ATOM 703 NH2 ARG A 164 14.153 -8.152 -4.066 1.00 0.00 N ATOM 0 H ARG A 164 9.872 -2.235 -1.208 1.00 0.00 H new ATOM 0 HA ARG A 164 11.439 -4.075 0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 164 10.625 -4.312 -2.368 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.335 -4.547 -2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 164 11.799 -6.300 -0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 164 10.086 -6.057 -0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 164 10.635 -7.941 -1.995 1.00 0.00 H new ATOM 0 HD3 ARG A 164 10.551 -6.611 -3.133 1.00 0.00 H new ATOM 0 HE ARG A 164 13.226 -7.130 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 164 11.132 -7.397 -4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 164 12.423 -8.069 -5.863 1.00 0.00 H new ATOM 0 HH21 ARG A 164 14.795 -8.145 -3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 164 14.470 -8.487 -4.976 1.00 0.00 H new ATOM 717 N PRO A 165 13.645 -2.848 -0.354 1.00 0.00 N ATOM 718 CA PRO A 165 14.775 -1.973 -0.625 1.00 0.00 C ATOM 719 C PRO A 165 14.858 -1.645 -2.121 1.00 0.00 C ATOM 720 O PRO A 165 15.095 -2.519 -2.954 1.00 0.00 O ATOM 721 CB PRO A 165 16.014 -2.728 -0.125 1.00 0.00 C ATOM 722 CG PRO A 165 15.576 -4.187 -0.092 1.00 0.00 C ATOM 723 CD PRO A 165 14.101 -4.091 0.254 1.00 0.00 C ATOM 0 HA PRO A 165 14.683 -1.012 -0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 165 16.864 -2.583 -0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 165 16.320 -2.382 0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 165 15.735 -4.678 -1.052 1.00 0.00 H new ATOM 0 HG3 PRO A 165 16.129 -4.758 0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 165 13.549 -4.946 -0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 165 13.950 -4.080 1.333 1.00 0.00 H new ATOM 731 N VAL A 166 14.681 -0.372 -2.465 1.00 0.00 N ATOM 732 CA VAL A 166 14.867 0.187 -3.809 1.00 0.00 C ATOM 733 C VAL A 166 16.204 -0.196 -4.453 1.00 0.00 C ATOM 734 O VAL A 166 16.313 -0.299 -5.675 1.00 0.00 O ATOM 735 CB VAL A 166 14.652 1.713 -3.742 1.00 0.00 C ATOM 736 CG1 VAL A 166 15.403 2.482 -2.653 1.00 0.00 C ATOM 737 CG2 VAL A 166 14.789 2.436 -5.087 1.00 0.00 C ATOM 0 H VAL A 166 14.391 0.333 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 166 14.122 -0.254 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 166 13.605 1.735 -3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 166 15.159 3.542 -2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 166 15.109 2.105 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 166 16.476 2.347 -2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 166 14.622 3.504 -4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 166 15.791 2.275 -5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 166 14.052 2.044 -5.788 1.00 0.00 H new ATOM 747 N ASP A 167 17.233 -0.429 -3.648 1.00 0.00 N ATOM 748 CA ASP A 167 18.546 -0.898 -4.104 1.00 0.00 C ATOM 749 C ASP A 167 18.553 -2.284 -4.752 1.00 0.00 C ATOM 750 O ASP A 167 19.512 -2.635 -5.444 1.00 0.00 O ATOM 751 CB ASP A 167 19.610 -0.750 -3.013 1.00 0.00 C ATOM 752 CG ASP A 167 19.309 -1.487 -1.715 1.00 0.00 C ATOM 753 OD1 ASP A 167 18.590 -0.887 -0.889 1.00 0.00 O ATOM 754 OD2 ASP A 167 19.880 -2.570 -1.463 1.00 0.00 O ATOM 0 H ASP A 167 17.182 -0.296 -2.638 1.00 0.00 H new ATOM 0 HA ASP A 167 18.813 -0.230 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 167 20.562 -1.109 -3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 167 19.736 0.310 -2.791 1.00 0.00 H new ATOM 759 N GLN A 168 17.454 -3.026 -4.671 1.00 0.00 N ATOM 760 CA GLN A 168 17.258 -4.293 -5.365 1.00 0.00 C ATOM 761 C GLN A 168 16.501 -4.134 -6.695 1.00 0.00 C ATOM 762 O GLN A 168 16.142 -5.141 -7.310 1.00 0.00 O ATOM 763 CB GLN A 168 16.599 -5.265 -4.374 1.00 0.00 C ATOM 764 CG GLN A 168 17.648 -6.256 -3.854 1.00 0.00 C ATOM 765 CD GLN A 168 17.177 -7.000 -2.613 1.00 0.00 C ATOM 766 OE1 GLN A 168 16.542 -8.047 -2.696 1.00 0.00 O ATOM 767 NE2 GLN A 168 17.486 -6.494 -1.437 1.00 0.00 N ATOM 0 H GLN A 168 16.651 -2.754 -4.104 1.00 0.00 H new ATOM 0 HA GLN A 168 18.217 -4.707 -5.678 1.00 0.00 H new ATOM 0 HB2 GLN A 168 16.162 -4.712 -3.542 1.00 0.00 H new ATOM 0 HB3 GLN A 168 15.786 -5.803 -4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 168 17.884 -6.975 -4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 168 18.569 -5.720 -3.625 1.00 0.00 H new ATOM 0 HE21 GLN A 168 18.014 -5.623 -1.379 1.00 0.00 H new ATOM 0 HE22 GLN A 168 17.197 -6.973 -0.584 1.00 0.00 H new ATOM 776 N TYR A 169 16.277 -2.902 -7.167 1.00 0.00 N ATOM 777 CA TYR A 169 15.479 -2.603 -8.352 1.00 0.00 C ATOM 778 C TYR A 169 16.213 -1.676 -9.330 1.00 0.00 C ATOM 779 O TYR A 169 17.331 -1.210 -9.077 1.00 0.00 O ATOM 780 CB TYR A 169 14.131 -2.028 -7.901 1.00 0.00 C ATOM 781 CG TYR A 169 13.199 -3.052 -7.284 1.00 0.00 C ATOM 782 CD1 TYR A 169 12.284 -3.737 -8.106 1.00 0.00 C ATOM 783 CD2 TYR A 169 13.159 -3.242 -5.890 1.00 0.00 C ATOM 784 CE1 TYR A 169 11.305 -4.572 -7.547 1.00 0.00 C ATOM 785 CE2 TYR A 169 12.199 -4.098 -5.323 1.00 0.00 C ATOM 786 CZ TYR A 169 11.253 -4.751 -6.147 1.00 0.00 C ATOM 787 OH TYR A 169 10.295 -5.542 -5.589 1.00 0.00 O ATOM 0 H TYR A 169 16.657 -2.067 -6.721 1.00 0.00 H new ATOM 0 HA TYR A 169 15.305 -3.524 -8.909 1.00 0.00 H new ATOM 0 HB2 TYR A 169 14.311 -1.233 -7.177 1.00 0.00 H new ATOM 0 HB3 TYR A 169 13.637 -1.572 -8.759 1.00 0.00 H new ATOM 0 HD1 TYR A 169 12.336 -3.618 -9.178 1.00 0.00 H new ATOM 0 HD2 TYR A 169 13.867 -2.730 -5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 169 10.594 -5.076 -8.185 1.00 0.00 H new ATOM 0 HE2 TYR A 169 12.184 -4.258 -4.255 1.00 0.00 H new ATOM 0 HH TYR A 169 9.622 -5.767 -6.265 1.00 0.00 H new ATOM 797 N ASN A 170 15.588 -1.451 -10.489 1.00 0.00 N ATOM 798 CA ASN A 170 16.124 -0.709 -11.631 1.00 0.00 C ATOM 799 C ASN A 170 15.193 0.423 -12.079 1.00 0.00 C ATOM 800 O ASN A 170 15.689 1.404 -12.644 1.00 0.00 O ATOM 801 CB ASN A 170 16.475 -1.662 -12.795 1.00 0.00 C ATOM 802 CG ASN A 170 15.332 -2.598 -13.181 1.00 0.00 C ATOM 803 OD1 ASN A 170 14.330 -2.197 -13.760 1.00 0.00 O ATOM 804 ND2 ASN A 170 15.395 -3.859 -12.800 1.00 0.00 N ATOM 0 H ASN A 170 14.646 -1.800 -10.664 1.00 0.00 H new ATOM 0 HA ASN A 170 17.048 -0.232 -11.302 1.00 0.00 H new ATOM 0 HB2 ASN A 170 16.759 -1.071 -13.665 1.00 0.00 H new ATOM 0 HB3 ASN A 170 17.344 -2.258 -12.517 1.00 0.00 H new ATOM 0 HD21 ASN A 170 14.615 -4.488 -12.988 1.00 0.00 H new ATOM 0 HD22 ASN A 170 16.224 -4.205 -12.317 1.00 0.00 H new ATOM 811 N ASN A 171 13.886 0.373 -11.779 1.00 0.00 N ATOM 812 CA ASN A 171 13.017 1.537 -11.943 1.00 0.00 C ATOM 813 C ASN A 171 12.026 1.621 -10.794 1.00 0.00 C ATOM 814 O ASN A 171 11.548 0.602 -10.288 1.00 0.00 O ATOM 815 CB ASN A 171 12.271 1.596 -13.299 1.00 0.00 C ATOM 816 CG ASN A 171 12.704 0.585 -14.347 1.00 0.00 C ATOM 817 OD1 ASN A 171 13.631 0.818 -15.117 1.00 0.00 O ATOM 818 ND2 ASN A 171 12.033 -0.549 -14.425 1.00 0.00 N ATOM 0 H ASN A 171 13.414 -0.459 -11.424 1.00 0.00 H new ATOM 0 HA ASN A 171 13.681 2.402 -11.934 1.00 0.00 H new ATOM 0 HB2 ASN A 171 11.206 1.459 -13.110 1.00 0.00 H new ATOM 0 HB3 ASN A 171 12.395 2.596 -13.715 1.00 0.00 H new ATOM 0 HD21 ASN A 171 12.283 -1.242 -15.130 1.00 0.00 H new ATOM 0 HD22 ASN A 171 11.264 -0.732 -13.780 1.00 0.00 H new ATOM 825 N GLN A 172 11.659 2.858 -10.443 1.00 0.00 N ATOM 826 CA GLN A 172 10.665 3.167 -9.426 1.00 0.00 C ATOM 827 C GLN A 172 9.374 2.410 -9.715 1.00 0.00 C ATOM 828 O GLN A 172 8.804 1.798 -8.812 1.00 0.00 O ATOM 829 CB GLN A 172 10.398 4.685 -9.393 1.00 0.00 C ATOM 830 CG GLN A 172 9.255 5.089 -8.437 1.00 0.00 C ATOM 831 CD GLN A 172 8.087 5.754 -9.137 1.00 0.00 C ATOM 832 OE1 GLN A 172 8.236 6.795 -9.769 1.00 0.00 O ATOM 833 NE2 GLN A 172 6.898 5.183 -9.041 1.00 0.00 N ATOM 0 H GLN A 172 12.060 3.691 -10.874 1.00 0.00 H new ATOM 0 HA GLN A 172 11.044 2.857 -8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 172 11.311 5.200 -9.093 1.00 0.00 H new ATOM 0 HB3 GLN A 172 10.156 5.025 -10.400 1.00 0.00 H new ATOM 0 HG2 GLN A 172 8.898 4.201 -7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 172 9.648 5.767 -7.680 1.00 0.00 H new ATOM 0 HE21 GLN A 172 6.789 4.318 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 172 6.090 5.608 -9.496 1.00 0.00 H new ATOM 842 N ASN A 173 8.893 2.496 -10.957 1.00 0.00 N ATOM 843 CA ASN A 173 7.571 2.019 -11.350 1.00 0.00 C ATOM 844 C ASN A 173 7.355 0.586 -10.936 1.00 0.00 C ATOM 845 O ASN A 173 6.371 0.254 -10.288 1.00 0.00 O ATOM 846 CB ASN A 173 7.413 2.088 -12.877 1.00 0.00 C ATOM 847 CG ASN A 173 7.180 3.509 -13.311 1.00 0.00 C ATOM 848 OD1 ASN A 173 7.983 4.125 -14.002 1.00 0.00 O ATOM 849 ND2 ASN A 173 6.113 4.100 -12.829 1.00 0.00 N ATOM 0 H ASN A 173 9.421 2.906 -11.728 1.00 0.00 H new ATOM 0 HA ASN A 173 6.842 2.659 -10.853 1.00 0.00 H new ATOM 0 HB2 ASN A 173 8.307 1.694 -13.361 1.00 0.00 H new ATOM 0 HB3 ASN A 173 6.578 1.462 -13.192 1.00 0.00 H new ATOM 0 HD21 ASN A 173 5.942 5.086 -13.028 1.00 0.00 H new ATOM 0 HD22 ASN A 173 5.454 3.574 -12.255 1.00 0.00 H new ATOM 856 N THR A 174 8.277 -0.250 -11.369 1.00 0.00 N ATOM 857 CA THR A 174 8.259 -1.689 -11.172 1.00 0.00 C ATOM 858 C THR A 174 8.202 -2.018 -9.675 1.00 0.00 C ATOM 859 O THR A 174 7.310 -2.732 -9.226 1.00 0.00 O ATOM 860 CB THR A 174 9.499 -2.281 -11.856 1.00 0.00 C ATOM 861 OG1 THR A 174 9.772 -1.606 -13.079 1.00 0.00 O ATOM 862 CG2 THR A 174 9.303 -3.759 -12.159 1.00 0.00 C ATOM 0 H THR A 174 9.095 0.066 -11.890 1.00 0.00 H new ATOM 0 HA THR A 174 7.370 -2.132 -11.620 1.00 0.00 H new ATOM 0 HB THR A 174 10.335 -2.156 -11.168 1.00 0.00 H new ATOM 0 HG1 THR A 174 10.052 -2.257 -13.756 1.00 0.00 H new ATOM 0 HG21 THR A 174 10.197 -4.153 -12.643 1.00 0.00 H new ATOM 0 HG22 THR A 174 9.125 -4.300 -11.230 1.00 0.00 H new ATOM 0 HG23 THR A 174 8.446 -3.884 -12.821 1.00 0.00 H new ATOM 870 N PHE A 175 9.121 -1.448 -8.896 1.00 0.00 N ATOM 871 CA PHE A 175 9.214 -1.615 -7.451 1.00 0.00 C ATOM 872 C PHE A 175 7.924 -1.153 -6.747 1.00 0.00 C ATOM 873 O PHE A 175 7.386 -1.863 -5.898 1.00 0.00 O ATOM 874 CB PHE A 175 10.479 -0.851 -7.024 1.00 0.00 C ATOM 875 CG PHE A 175 10.660 -0.472 -5.571 1.00 0.00 C ATOM 876 CD1 PHE A 175 10.009 -1.140 -4.515 1.00 0.00 C ATOM 877 CD2 PHE A 175 11.386 0.699 -5.308 1.00 0.00 C ATOM 878 CE1 PHE A 175 9.868 -0.491 -3.278 1.00 0.00 C ATOM 879 CE2 PHE A 175 11.227 1.347 -4.079 1.00 0.00 C ATOM 880 CZ PHE A 175 10.430 0.784 -3.087 1.00 0.00 C ATOM 0 H PHE A 175 9.846 -0.836 -9.270 1.00 0.00 H new ATOM 0 HA PHE A 175 9.304 -2.661 -7.156 1.00 0.00 H new ATOM 0 HB2 PHE A 175 11.339 -1.454 -7.315 1.00 0.00 H new ATOM 0 HB3 PHE A 175 10.520 0.067 -7.610 1.00 0.00 H new ATOM 0 HD1 PHE A 175 9.623 -2.139 -4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 175 12.063 1.097 -6.049 1.00 0.00 H new ATOM 0 HE1 PHE A 175 9.329 -0.970 -2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 175 11.725 2.288 -3.899 1.00 0.00 H new ATOM 0 HZ PHE A 175 10.243 1.326 -2.171 1.00 0.00 H new ATOM 890 N VAL A 176 7.394 0.020 -7.092 1.00 0.00 N ATOM 891 CA VAL A 176 6.143 0.515 -6.522 1.00 0.00 C ATOM 892 C VAL A 176 4.976 -0.388 -6.937 1.00 0.00 C ATOM 893 O VAL A 176 4.081 -0.611 -6.125 1.00 0.00 O ATOM 894 CB VAL A 176 5.975 1.998 -6.908 1.00 0.00 C ATOM 895 CG1 VAL A 176 4.514 2.445 -7.070 1.00 0.00 C ATOM 896 CG2 VAL A 176 6.705 2.888 -5.876 1.00 0.00 C ATOM 0 H VAL A 176 7.818 0.651 -7.772 1.00 0.00 H new ATOM 0 HA VAL A 176 6.160 0.474 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 176 6.424 2.114 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 176 4.484 3.500 -7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 176 4.038 1.855 -7.853 1.00 0.00 H new ATOM 0 HG13 VAL A 176 3.982 2.297 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 176 6.585 3.936 -6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 176 6.280 2.721 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 176 7.765 2.635 -5.863 1.00 0.00 H new ATOM 906 N HIS A 177 4.965 -0.930 -8.156 1.00 0.00 N ATOM 907 CA HIS A 177 3.939 -1.876 -8.562 1.00 0.00 C ATOM 908 C HIS A 177 4.024 -3.116 -7.671 1.00 0.00 C ATOM 909 O HIS A 177 3.010 -3.587 -7.161 1.00 0.00 O ATOM 910 CB HIS A 177 4.077 -2.219 -10.054 1.00 0.00 C ATOM 911 CG HIS A 177 2.776 -2.621 -10.695 1.00 0.00 C ATOM 912 ND1 HIS A 177 2.399 -2.344 -11.991 1.00 0.00 N ATOM 913 CD2 HIS A 177 1.733 -3.267 -10.088 1.00 0.00 C ATOM 914 CE1 HIS A 177 1.147 -2.799 -12.155 1.00 0.00 C ATOM 915 NE2 HIS A 177 0.700 -3.357 -11.019 1.00 0.00 N ATOM 0 H HIS A 177 5.658 -0.726 -8.876 1.00 0.00 H new ATOM 0 HA HIS A 177 2.952 -1.432 -8.436 1.00 0.00 H new ATOM 0 HB2 HIS A 177 4.483 -1.356 -10.582 1.00 0.00 H new ATOM 0 HB3 HIS A 177 4.796 -3.030 -10.168 1.00 0.00 H new ATOM 0 HD2 HIS A 177 1.714 -3.639 -9.074 1.00 0.00 H new ATOM 0 HE1 HIS A 177 0.580 -2.726 -13.071 1.00 0.00 H new ATOM 0 HE2 HIS A 177 -0.221 -3.769 -10.866 1.00 0.00 H new ATOM 923 N ASP A 178 5.239 -3.605 -7.419 1.00 0.00 N ATOM 924 CA ASP A 178 5.463 -4.745 -6.543 1.00 0.00 C ATOM 925 C ASP A 178 4.879 -4.471 -5.151 1.00 0.00 C ATOM 926 O ASP A 178 4.274 -5.368 -4.566 1.00 0.00 O ATOM 927 CB ASP A 178 6.973 -5.074 -6.428 1.00 0.00 C ATOM 928 CG ASP A 178 7.420 -6.359 -7.124 1.00 0.00 C ATOM 929 OD1 ASP A 178 6.584 -7.236 -7.422 1.00 0.00 O ATOM 930 OD2 ASP A 178 8.637 -6.503 -7.396 1.00 0.00 O ATOM 0 H ASP A 178 6.094 -3.218 -7.819 1.00 0.00 H new ATOM 0 HA ASP A 178 4.958 -5.607 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 178 7.541 -4.241 -6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 178 7.233 -5.144 -5.372 1.00 0.00 H new ATOM 935 N CYS A 179 5.039 -3.243 -4.642 1.00 0.00 N ATOM 936 CA CYS A 179 4.492 -2.758 -3.374 1.00 0.00 C ATOM 937 C CYS A 179 2.957 -2.776 -3.380 1.00 0.00 C ATOM 938 O CYS A 179 2.353 -3.290 -2.433 1.00 0.00 O ATOM 939 CB CYS A 179 5.084 -1.352 -3.093 1.00 0.00 C ATOM 940 SG CYS A 179 4.342 -0.241 -1.846 1.00 0.00 S ATOM 0 H CYS A 179 5.580 -2.528 -5.129 1.00 0.00 H new ATOM 0 HA CYS A 179 4.781 -3.423 -2.560 1.00 0.00 H new ATOM 0 HB2 CYS A 179 6.126 -1.497 -2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 179 5.084 -0.812 -4.040 1.00 0.00 H new ATOM 945 N VAL A 180 2.311 -2.285 -4.446 1.00 0.00 N ATOM 946 CA VAL A 180 0.857 -2.370 -4.597 1.00 0.00 C ATOM 947 C VAL A 180 0.433 -3.837 -4.516 1.00 0.00 C ATOM 948 O VAL A 180 -0.382 -4.182 -3.659 1.00 0.00 O ATOM 949 CB VAL A 180 0.370 -1.671 -5.890 1.00 0.00 C ATOM 950 CG1 VAL A 180 -1.150 -1.807 -6.086 1.00 0.00 C ATOM 951 CG2 VAL A 180 0.676 -0.166 -5.867 1.00 0.00 C ATOM 0 H VAL A 180 2.781 -1.820 -5.223 1.00 0.00 H new ATOM 0 HA VAL A 180 0.375 -1.830 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 180 0.903 -2.166 -6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.445 -1.301 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -1.416 -2.862 -6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -1.668 -1.354 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 180 0.320 0.292 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 180 0.173 0.295 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 180 1.752 -0.015 -5.778 1.00 0.00 H new ATOM 961 N ASN A 181 1.021 -4.702 -5.350 1.00 0.00 N ATOM 962 CA ASN A 181 0.680 -6.120 -5.422 1.00 0.00 C ATOM 963 C ASN A 181 0.774 -6.781 -4.051 1.00 0.00 C ATOM 964 O ASN A 181 -0.092 -7.566 -3.676 1.00 0.00 O ATOM 965 CB ASN A 181 1.614 -6.844 -6.402 1.00 0.00 C ATOM 966 CG ASN A 181 1.289 -8.336 -6.521 1.00 0.00 C ATOM 967 OD1 ASN A 181 0.134 -8.752 -6.561 1.00 0.00 O ATOM 968 ND2 ASN A 181 2.291 -9.193 -6.582 1.00 0.00 N ATOM 0 H ASN A 181 1.757 -4.429 -6.001 1.00 0.00 H new ATOM 0 HA ASN A 181 -0.349 -6.195 -5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 181 1.537 -6.378 -7.385 1.00 0.00 H new ATOM 0 HB3 ASN A 181 2.646 -6.725 -6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 181 2.103 -10.192 -6.662 1.00 0.00 H new ATOM 0 HD22 ASN A 181 3.253 -8.856 -6.549 1.00 0.00 H new ATOM 975 N ILE A 182 1.831 -6.485 -3.293 1.00 0.00 N ATOM 976 CA ILE A 182 2.066 -7.117 -2.002 1.00 0.00 C ATOM 977 C ILE A 182 1.106 -6.587 -0.947 1.00 0.00 C ATOM 978 O ILE A 182 0.707 -7.348 -0.064 1.00 0.00 O ATOM 979 CB ILE A 182 3.538 -6.953 -1.588 1.00 0.00 C ATOM 980 CG1 ILE A 182 4.400 -7.777 -2.562 1.00 0.00 C ATOM 981 CG2 ILE A 182 3.800 -7.410 -0.144 1.00 0.00 C ATOM 982 CD1 ILE A 182 4.431 -9.282 -2.301 1.00 0.00 C ATOM 0 H ILE A 182 2.542 -5.804 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 182 1.868 -8.185 -2.093 1.00 0.00 H new ATOM 0 HB ILE A 182 3.794 -5.894 -1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 182 4.034 -7.609 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 182 5.421 -7.398 -2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 182 4.854 -7.272 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 182 3.192 -6.819 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 182 3.540 -8.464 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 182 5.066 -9.767 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 182 4.829 -9.470 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 182 3.420 -9.684 -2.370 1.00 0.00 H new ATOM 994 N THR A 183 0.741 -5.312 -1.013 1.00 0.00 N ATOM 995 CA THR A 183 -0.219 -4.768 -0.076 1.00 0.00 C ATOM 996 C THR A 183 -1.588 -5.406 -0.345 1.00 0.00 C ATOM 997 O THR A 183 -2.188 -5.909 0.605 1.00 0.00 O ATOM 998 CB THR A 183 -0.196 -3.238 -0.136 1.00 0.00 C ATOM 999 OG1 THR A 183 1.139 -2.758 -0.040 1.00 0.00 O ATOM 1000 CG2 THR A 183 -0.969 -2.612 1.025 1.00 0.00 C ATOM 0 H THR A 183 1.094 -4.646 -1.700 1.00 0.00 H new ATOM 0 HA THR A 183 0.037 -5.016 0.954 1.00 0.00 H new ATOM 0 HB THR A 183 -0.655 -2.962 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 183 1.601 -2.903 -0.892 1.00 0.00 H new ATOM 0 HG21 THR A 183 -0.928 -1.526 0.945 1.00 0.00 H new ATOM 0 HG22 THR A 183 -2.008 -2.940 0.989 1.00 0.00 H new ATOM 0 HG23 THR A 183 -0.523 -2.924 1.969 1.00 0.00 H new ATOM 1008 N ILE A 184 -2.038 -5.488 -1.609 1.00 0.00 N ATOM 1009 CA ILE A 184 -3.287 -6.175 -1.945 1.00 0.00 C ATOM 1010 C ILE A 184 -3.203 -7.633 -1.521 1.00 0.00 C ATOM 1011 O ILE A 184 -4.132 -8.088 -0.859 1.00 0.00 O ATOM 1012 CB ILE A 184 -3.699 -6.013 -3.429 1.00 0.00 C ATOM 1013 CG1 ILE A 184 -3.875 -4.506 -3.688 1.00 0.00 C ATOM 1014 CG2 ILE A 184 -5.018 -6.765 -3.709 1.00 0.00 C ATOM 1015 CD1 ILE A 184 -4.681 -4.081 -4.919 1.00 0.00 C ATOM 0 H ILE A 184 -1.552 -5.086 -2.411 1.00 0.00 H new ATOM 0 HA ILE A 184 -4.088 -5.695 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 184 -2.939 -6.432 -4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -4.350 -4.069 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.883 -4.062 -3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -5.293 -6.640 -4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -4.886 -7.825 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -5.808 -6.361 -3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -4.720 -2.993 -4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.204 -4.470 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.694 -4.477 -4.845 1.00 0.00 H new ATOM 1027 N LYS A 185 -2.100 -8.335 -1.821 1.00 0.00 N ATOM 1028 CA LYS A 185 -1.867 -9.694 -1.369 1.00 0.00 C ATOM 1029 C LYS A 185 -2.129 -9.754 0.124 1.00 0.00 C ATOM 1030 O LYS A 185 -3.057 -10.431 0.543 1.00 0.00 O ATOM 1031 CB LYS A 185 -0.447 -10.139 -1.754 1.00 0.00 C ATOM 1032 CG LYS A 185 0.054 -11.385 -0.996 1.00 0.00 C ATOM 1033 CD LYS A 185 0.592 -12.501 -1.894 1.00 0.00 C ATOM 1034 CE LYS A 185 -0.569 -12.970 -2.774 1.00 0.00 C ATOM 1035 NZ LYS A 185 -0.251 -14.125 -3.633 1.00 0.00 N ATOM 0 H LYS A 185 -1.342 -7.961 -2.392 1.00 0.00 H new ATOM 0 HA LYS A 185 -2.547 -10.394 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -0.421 -10.344 -2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 185 0.242 -9.315 -1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 185 0.840 -11.082 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -0.764 -11.782 -0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 185 1.417 -12.138 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 185 0.978 -13.325 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -1.413 -13.229 -2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -0.890 -12.141 -3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -1.088 -14.380 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 0.533 -13.878 -4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 0.026 -14.933 -3.040 1.00 0.00 H new ATOM 1049 N GLN A 186 -1.326 -9.086 0.946 1.00 0.00 N ATOM 1050 CA GLN A 186 -1.469 -9.233 2.374 1.00 0.00 C ATOM 1051 C GLN A 186 -2.834 -8.786 2.886 1.00 0.00 C ATOM 1052 O GLN A 186 -3.232 -9.267 3.943 1.00 0.00 O ATOM 1053 CB GLN A 186 -0.322 -8.508 3.075 1.00 0.00 C ATOM 1054 CG GLN A 186 0.937 -9.365 3.133 1.00 0.00 C ATOM 1055 CD GLN A 186 0.869 -10.469 4.189 1.00 0.00 C ATOM 1056 OE1 GLN A 186 -0.038 -11.290 4.217 1.00 0.00 O ATOM 1057 NE2 GLN A 186 1.830 -10.485 5.093 1.00 0.00 N ATOM 0 H GLN A 186 -0.586 -8.451 0.647 1.00 0.00 H new ATOM 0 HA GLN A 186 -1.414 -10.295 2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 186 -0.105 -7.578 2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 186 -0.626 -8.239 4.087 1.00 0.00 H new ATOM 0 HG2 GLN A 186 1.106 -9.817 2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 186 1.795 -8.725 3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 186 2.578 -9.793 5.054 1.00 0.00 H new ATOM 0 HE22 GLN A 186 1.825 -11.190 5.831 1.00 0.00 H new ATOM 1066 N HIS A 187 -3.582 -7.932 2.193 1.00 0.00 N ATOM 1067 CA HIS A 187 -4.961 -7.656 2.558 1.00 0.00 C ATOM 1068 C HIS A 187 -5.852 -8.865 2.227 1.00 0.00 C ATOM 1069 O HIS A 187 -6.457 -9.436 3.135 1.00 0.00 O ATOM 1070 CB HIS A 187 -5.424 -6.349 1.894 1.00 0.00 C ATOM 1071 CG HIS A 187 -5.944 -5.296 2.840 1.00 0.00 C ATOM 1072 ND1 HIS A 187 -6.073 -5.364 4.217 1.00 0.00 N ATOM 1073 CD2 HIS A 187 -6.497 -4.119 2.426 1.00 0.00 C ATOM 1074 CE1 HIS A 187 -6.739 -4.267 4.610 1.00 0.00 C ATOM 1075 NE2 HIS A 187 -7.022 -3.480 3.557 1.00 0.00 N ATOM 0 H HIS A 187 -3.252 -7.420 1.375 1.00 0.00 H new ATOM 0 HA HIS A 187 -5.043 -7.505 3.634 1.00 0.00 H new ATOM 0 HB2 HIS A 187 -4.589 -5.930 1.333 1.00 0.00 H new ATOM 0 HB3 HIS A 187 -6.206 -6.584 1.172 1.00 0.00 H new ATOM 0 HD1 HIS A 187 -5.726 -6.109 4.821 1.00 0.00 H new ATOM 0 HD2 HIS A 187 -6.525 -3.748 1.412 1.00 0.00 H new ATOM 0 HE1 HIS A 187 -7.010 -4.047 5.632 1.00 0.00 H new ATOM 1083 N THR A 188 -5.897 -9.292 0.963 1.00 0.00 N ATOM 1084 CA THR A 188 -6.687 -10.407 0.432 1.00 0.00 C ATOM 1085 C THR A 188 -6.225 -11.779 1.015 1.00 0.00 C ATOM 1086 O THR A 188 -6.813 -12.827 0.729 1.00 0.00 O ATOM 1087 CB THR A 188 -6.626 -10.316 -1.115 1.00 0.00 C ATOM 1088 OG1 THR A 188 -7.806 -10.780 -1.721 1.00 0.00 O ATOM 1089 CG2 THR A 188 -5.486 -11.080 -1.784 1.00 0.00 C ATOM 0 H THR A 188 -5.346 -8.838 0.234 1.00 0.00 H new ATOM 0 HA THR A 188 -7.729 -10.336 0.744 1.00 0.00 H new ATOM 0 HB THR A 188 -6.467 -9.249 -1.269 1.00 0.00 H new ATOM 0 HG1 THR A 188 -7.726 -10.704 -2.695 1.00 0.00 H new ATOM 0 HG21 THR A 188 -5.542 -10.945 -2.864 1.00 0.00 H new ATOM 0 HG22 THR A 188 -4.531 -10.701 -1.420 1.00 0.00 H new ATOM 0 HG23 THR A 188 -5.570 -12.140 -1.546 1.00 0.00 H new ATOM 1097 N VAL A 189 -5.196 -11.798 1.875 1.00 0.00 N ATOM 1098 CA VAL A 189 -4.609 -12.983 2.500 1.00 0.00 C ATOM 1099 C VAL A 189 -4.671 -12.914 4.028 1.00 0.00 C ATOM 1100 O VAL A 189 -4.998 -13.925 4.650 1.00 0.00 O ATOM 1101 CB VAL A 189 -3.179 -13.186 1.948 1.00 0.00 C ATOM 1102 CG1 VAL A 189 -2.371 -14.239 2.706 1.00 0.00 C ATOM 1103 CG2 VAL A 189 -3.220 -13.570 0.454 1.00 0.00 C ATOM 0 H VAL A 189 -4.729 -10.939 2.166 1.00 0.00 H new ATOM 0 HA VAL A 189 -5.196 -13.864 2.240 1.00 0.00 H new ATOM 0 HB VAL A 189 -2.677 -12.228 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 189 -1.379 -14.326 2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 189 -2.276 -13.942 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 189 -2.881 -15.201 2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 189 -2.203 -13.708 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 189 -3.779 -14.498 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 189 -3.706 -12.776 -0.113 1.00 0.00 H new ATOM 1113 N THR A 190 -4.341 -11.783 4.662 1.00 0.00 N ATOM 1114 CA THR A 190 -4.455 -11.664 6.101 1.00 0.00 C ATOM 1115 C THR A 190 -5.906 -11.332 6.453 1.00 0.00 C ATOM 1116 O THR A 190 -6.534 -12.046 7.236 1.00 0.00 O ATOM 1117 CB THR A 190 -3.483 -10.585 6.607 1.00 0.00 C ATOM 1118 OG1 THR A 190 -2.140 -10.905 6.283 1.00 0.00 O ATOM 1119 CG2 THR A 190 -3.562 -10.406 8.112 1.00 0.00 C ATOM 0 H THR A 190 -3.995 -10.945 4.194 1.00 0.00 H new ATOM 0 HA THR A 190 -4.188 -12.602 6.588 1.00 0.00 H new ATOM 0 HB THR A 190 -3.783 -9.662 6.112 1.00 0.00 H new ATOM 0 HG1 THR A 190 -2.012 -10.834 5.314 1.00 0.00 H new ATOM 0 HG21 THR A 190 -2.858 -9.634 8.424 1.00 0.00 H new ATOM 0 HG22 THR A 190 -4.573 -10.109 8.391 1.00 0.00 H new ATOM 0 HG23 THR A 190 -3.311 -11.346 8.604 1.00 0.00 H new ATOM 1127 N THR A 191 -6.422 -10.222 5.923 1.00 0.00 N ATOM 1128 CA THR A 191 -7.669 -9.650 6.410 1.00 0.00 C ATOM 1129 C THR A 191 -8.893 -10.364 5.831 1.00 0.00 C ATOM 1130 O THR A 191 -9.874 -10.611 6.536 1.00 0.00 O ATOM 1131 CB THR A 191 -7.611 -8.160 6.018 1.00 0.00 C ATOM 1132 OG1 THR A 191 -6.659 -7.481 6.818 1.00 0.00 O ATOM 1133 CG2 THR A 191 -8.931 -7.434 5.995 1.00 0.00 C ATOM 0 H THR A 191 -5.992 -9.704 5.156 1.00 0.00 H new ATOM 0 HA THR A 191 -7.774 -9.769 7.488 1.00 0.00 H new ATOM 0 HB THR A 191 -7.297 -8.153 4.974 1.00 0.00 H new ATOM 0 HG1 THR A 191 -6.629 -6.536 6.560 1.00 0.00 H new ATOM 0 HG21 THR A 191 -8.770 -6.395 5.707 1.00 0.00 H new ATOM 0 HG22 THR A 191 -9.596 -7.911 5.276 1.00 0.00 H new ATOM 0 HG23 THR A 191 -9.383 -7.470 6.986 1.00 0.00 H new ATOM 1141 N THR A 192 -8.725 -10.913 4.641 1.00 0.00 N ATOM 1142 CA THR A 192 -9.636 -11.834 3.990 1.00 0.00 C ATOM 1143 C THR A 192 -9.308 -13.204 4.587 1.00 0.00 C ATOM 1144 O THR A 192 -8.470 -13.948 4.081 1.00 0.00 O ATOM 1145 CB THR A 192 -9.410 -11.725 2.483 1.00 0.00 C ATOM 1146 OG1 THR A 192 -9.847 -10.474 1.968 1.00 0.00 O ATOM 1147 CG2 THR A 192 -10.189 -12.780 1.692 1.00 0.00 C ATOM 0 H THR A 192 -7.902 -10.716 4.072 1.00 0.00 H new ATOM 0 HA THR A 192 -10.695 -11.632 4.147 1.00 0.00 H new ATOM 0 HB THR A 192 -8.335 -11.859 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 192 -10.266 -9.954 2.685 1.00 0.00 H new ATOM 0 HG21 THR A 192 -9.991 -12.656 0.627 1.00 0.00 H new ATOM 0 HG22 THR A 192 -9.875 -13.775 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 192 -11.256 -12.661 1.879 1.00 0.00 H new ATOM 1155 N THR A 193 -9.903 -13.458 5.745 1.00 0.00 N ATOM 1156 CA THR A 193 -9.819 -14.614 6.634 1.00 0.00 C ATOM 1157 C THR A 193 -10.737 -14.299 7.819 1.00 0.00 C ATOM 1158 O THR A 193 -11.474 -15.171 8.272 1.00 0.00 O ATOM 1159 CB THR A 193 -8.381 -14.925 7.121 1.00 0.00 C ATOM 1160 OG1 THR A 193 -7.449 -15.213 6.102 1.00 0.00 O ATOM 1161 CG2 THR A 193 -8.333 -16.178 8.006 1.00 0.00 C ATOM 0 H THR A 193 -10.542 -12.765 6.136 1.00 0.00 H new ATOM 0 HA THR A 193 -10.124 -15.511 6.094 1.00 0.00 H new ATOM 0 HB THR A 193 -8.116 -14.003 7.638 1.00 0.00 H new ATOM 0 HG1 THR A 193 -7.885 -15.132 5.228 1.00 0.00 H new ATOM 0 HG21 THR A 193 -7.307 -16.359 8.325 1.00 0.00 H new ATOM 0 HG22 THR A 193 -8.964 -16.029 8.882 1.00 0.00 H new ATOM 0 HG23 THR A 193 -8.694 -17.037 7.440 1.00 0.00 H new ATOM 1169 N LYS A 194 -10.683 -13.070 8.355 1.00 0.00 N ATOM 1170 CA LYS A 194 -11.043 -12.822 9.760 1.00 0.00 C ATOM 1171 C LYS A 194 -12.230 -11.878 9.917 1.00 0.00 C ATOM 1172 O LYS A 194 -12.449 -11.337 11.002 1.00 0.00 O ATOM 1173 CB LYS A 194 -9.820 -12.312 10.535 1.00 0.00 C ATOM 1174 CG LYS A 194 -8.550 -13.145 10.289 1.00 0.00 C ATOM 1175 CD LYS A 194 -7.916 -13.700 11.568 1.00 0.00 C ATOM 1176 CE LYS A 194 -8.596 -15.049 11.837 1.00 0.00 C ATOM 1177 NZ LYS A 194 -8.291 -15.580 13.177 1.00 0.00 N ATOM 0 H LYS A 194 -10.396 -12.237 7.841 1.00 0.00 H new ATOM 0 HA LYS A 194 -11.363 -13.775 10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -9.627 -11.277 10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -10.047 -12.316 11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -8.794 -13.975 9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -7.817 -12.528 9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -6.840 -13.825 11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -8.065 -13.016 12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -9.675 -14.935 11.732 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -8.277 -15.769 11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -8.774 -16.492 13.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -7.264 -15.716 13.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -8.619 -14.908 13.900 1.00 0.00 H new ATOM 1191 N GLY A 195 -12.949 -11.647 8.824 1.00 0.00 N ATOM 1192 CA GLY A 195 -14.143 -10.824 8.800 1.00 0.00 C ATOM 1193 C GLY A 195 -13.849 -9.538 8.055 1.00 0.00 C ATOM 1194 O GLY A 195 -13.586 -8.500 8.656 1.00 0.00 O ATOM 0 H GLY A 195 -12.709 -12.037 7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -14.959 -11.360 8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.467 -10.603 9.817 1.00 0.00 H new ATOM 1198 N GLU A 196 -13.839 -9.636 6.730 1.00 0.00 N ATOM 1199 CA GLU A 196 -13.698 -8.569 5.746 1.00 0.00 C ATOM 1200 C GLU A 196 -14.080 -9.212 4.396 1.00 0.00 C ATOM 1201 O GLU A 196 -14.210 -10.444 4.341 1.00 0.00 O ATOM 1202 CB GLU A 196 -12.247 -8.060 5.807 1.00 0.00 C ATOM 1203 CG GLU A 196 -11.931 -6.884 4.886 1.00 0.00 C ATOM 1204 CD GLU A 196 -11.674 -7.353 3.476 1.00 0.00 C ATOM 1205 OE1 GLU A 196 -11.092 -8.442 3.248 1.00 0.00 O ATOM 1206 OE2 GLU A 196 -12.253 -6.630 2.645 1.00 0.00 O ATOM 0 H GLU A 196 -13.938 -10.545 6.277 1.00 0.00 H new ATOM 0 HA GLU A 196 -14.334 -7.700 5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -12.025 -7.767 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -11.579 -8.885 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -12.763 -6.179 4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -11.058 -6.350 5.260 1.00 0.00 H new ATOM 1213 N ASN A 197 -14.329 -8.439 3.332 1.00 0.00 N ATOM 1214 CA ASN A 197 -14.266 -8.902 1.948 1.00 0.00 C ATOM 1215 C ASN A 197 -14.143 -7.740 0.952 1.00 0.00 C ATOM 1216 O ASN A 197 -15.033 -6.882 0.951 1.00 0.00 O ATOM 1217 CB ASN A 197 -15.521 -9.726 1.667 1.00 0.00 C ATOM 1218 CG ASN A 197 -15.924 -9.775 0.203 1.00 0.00 C ATOM 1219 OD1 ASN A 197 -15.201 -10.313 -0.631 1.00 0.00 O ATOM 1220 ND2 ASN A 197 -17.082 -9.231 -0.123 1.00 0.00 N ATOM 0 H ASN A 197 -14.585 -7.455 3.415 1.00 0.00 H new ATOM 0 HA ASN A 197 -13.372 -9.511 1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -15.359 -10.744 2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -16.348 -9.315 2.246 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -17.400 -9.250 -1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -17.659 -8.792 0.594 1.00 0.00 H new ATOM 1227 N PHE A 198 -13.067 -7.687 0.147 1.00 0.00 N ATOM 1228 CA PHE A 198 -12.825 -6.571 -0.773 1.00 0.00 C ATOM 1229 C PHE A 198 -13.525 -6.789 -2.112 1.00 0.00 C ATOM 1230 O PHE A 198 -13.204 -7.731 -2.848 1.00 0.00 O ATOM 1231 CB PHE A 198 -11.333 -6.295 -1.003 1.00 0.00 C ATOM 1232 CG PHE A 198 -10.519 -6.125 0.259 1.00 0.00 C ATOM 1233 CD1 PHE A 198 -10.619 -4.941 1.015 1.00 0.00 C ATOM 1234 CD2 PHE A 198 -9.698 -7.174 0.709 1.00 0.00 C ATOM 1235 CE1 PHE A 198 -9.868 -4.783 2.189 1.00 0.00 C ATOM 1236 CE2 PHE A 198 -8.965 -7.028 1.891 1.00 0.00 C ATOM 1237 CZ PHE A 198 -9.068 -5.845 2.636 1.00 0.00 C ATOM 0 H PHE A 198 -12.349 -8.411 0.118 1.00 0.00 H new ATOM 0 HA PHE A 198 -13.248 -5.692 -0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 198 -10.911 -7.116 -1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 198 -11.233 -5.393 -1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 198 -11.278 -4.150 0.689 1.00 0.00 H new ATOM 0 HD2 PHE A 198 -9.634 -8.091 0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 198 -9.905 -3.856 2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 198 -8.320 -7.826 2.229 1.00 0.00 H new ATOM 0 HZ PHE A 198 -8.525 -5.750 3.565 1.00 0.00 H new ATOM 1247 N THR A 199 -14.471 -5.915 -2.435 1.00 0.00 N ATOM 1248 CA THR A 199 -15.181 -5.910 -3.709 1.00 0.00 C ATOM 1249 C THR A 199 -14.330 -5.224 -4.788 1.00 0.00 C ATOM 1250 O THR A 199 -13.310 -4.612 -4.474 1.00 0.00 O ATOM 1251 CB THR A 199 -16.519 -5.184 -3.490 1.00 0.00 C ATOM 1252 OG1 THR A 199 -16.296 -3.820 -3.182 1.00 0.00 O ATOM 1253 CG2 THR A 199 -17.322 -5.860 -2.367 1.00 0.00 C ATOM 0 H THR A 199 -14.773 -5.173 -1.804 1.00 0.00 H new ATOM 0 HA THR A 199 -15.371 -6.926 -4.057 1.00 0.00 H new ATOM 0 HB THR A 199 -17.097 -5.243 -4.412 1.00 0.00 H new ATOM 0 HG1 THR A 199 -17.156 -3.370 -3.047 1.00 0.00 H new ATOM 0 HG21 THR A 199 -18.266 -5.333 -2.226 1.00 0.00 H new ATOM 0 HG22 THR A 199 -17.523 -6.897 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 199 -16.748 -5.830 -1.441 1.00 0.00 H new ATOM 1261 N GLU A 200 -14.793 -5.202 -6.044 1.00 0.00 N ATOM 1262 CA GLU A 200 -14.147 -4.466 -7.136 1.00 0.00 C ATOM 1263 C GLU A 200 -14.060 -2.960 -6.843 1.00 0.00 C ATOM 1264 O GLU A 200 -13.206 -2.245 -7.374 1.00 0.00 O ATOM 1265 CB GLU A 200 -14.991 -4.629 -8.400 1.00 0.00 C ATOM 1266 CG GLU A 200 -14.210 -4.365 -9.687 1.00 0.00 C ATOM 1267 CD GLU A 200 -13.782 -5.678 -10.329 1.00 0.00 C ATOM 1268 OE1 GLU A 200 -12.696 -6.185 -9.968 1.00 0.00 O ATOM 1269 OE2 GLU A 200 -14.506 -6.135 -11.246 1.00 0.00 O ATOM 0 H GLU A 200 -15.635 -5.700 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 200 -13.140 -4.866 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -15.396 -5.641 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -15.840 -3.947 -8.352 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -14.826 -3.797 -10.383 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -13.332 -3.757 -9.469 1.00 0.00 H new ATOM 1276 N THR A 201 -14.986 -2.455 -6.027 1.00 0.00 N ATOM 1277 CA THR A 201 -15.006 -1.064 -5.623 1.00 0.00 C ATOM 1278 C THR A 201 -13.889 -0.840 -4.608 1.00 0.00 C ATOM 1279 O THR A 201 -13.095 0.080 -4.783 1.00 0.00 O ATOM 1280 CB THR A 201 -16.395 -0.732 -5.070 1.00 0.00 C ATOM 1281 OG1 THR A 201 -17.357 -1.025 -6.071 1.00 0.00 O ATOM 1282 CG2 THR A 201 -16.518 0.745 -4.723 1.00 0.00 C ATOM 0 H THR A 201 -15.744 -3.010 -5.630 1.00 0.00 H new ATOM 0 HA THR A 201 -14.825 -0.393 -6.463 1.00 0.00 H new ATOM 0 HB THR A 201 -16.555 -1.321 -4.167 1.00 0.00 H new ATOM 0 HG1 THR A 201 -18.254 -0.820 -5.733 1.00 0.00 H new ATOM 0 HG21 THR A 201 -17.516 0.945 -4.334 1.00 0.00 H new ATOM 0 HG22 THR A 201 -15.775 1.005 -3.969 1.00 0.00 H new ATOM 0 HG23 THR A 201 -16.351 1.344 -5.618 1.00 0.00 H new ATOM 1290 N ASP A 202 -13.786 -1.694 -3.589 1.00 0.00 N ATOM 1291 CA ASP A 202 -12.721 -1.584 -2.600 1.00 0.00 C ATOM 1292 C ASP A 202 -11.383 -1.774 -3.300 1.00 0.00 C ATOM 1293 O ASP A 202 -10.440 -1.062 -2.987 1.00 0.00 O ATOM 1294 CB ASP A 202 -12.859 -2.637 -1.492 1.00 0.00 C ATOM 1295 CG ASP A 202 -14.184 -2.612 -0.738 1.00 0.00 C ATOM 1296 OD1 ASP A 202 -14.796 -1.534 -0.589 1.00 0.00 O ATOM 1297 OD2 ASP A 202 -14.620 -3.676 -0.241 1.00 0.00 O ATOM 0 H ASP A 202 -14.429 -2.469 -3.430 1.00 0.00 H new ATOM 0 HA ASP A 202 -12.786 -0.599 -2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 202 -12.728 -3.625 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 202 -12.049 -2.497 -0.776 1.00 0.00 H new ATOM 1302 N VAL A 203 -11.293 -2.682 -4.273 1.00 0.00 N ATOM 1303 CA VAL A 203 -10.134 -2.889 -5.128 1.00 0.00 C ATOM 1304 C VAL A 203 -9.700 -1.578 -5.770 1.00 0.00 C ATOM 1305 O VAL A 203 -8.538 -1.212 -5.620 1.00 0.00 O ATOM 1306 CB VAL A 203 -10.452 -3.994 -6.153 1.00 0.00 C ATOM 1307 CG1 VAL A 203 -9.727 -3.843 -7.497 1.00 0.00 C ATOM 1308 CG2 VAL A 203 -10.180 -5.367 -5.523 1.00 0.00 C ATOM 0 H VAL A 203 -12.060 -3.317 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 203 -9.283 -3.228 -4.536 1.00 0.00 H new ATOM 0 HB VAL A 203 -11.509 -3.897 -6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -10.009 -4.663 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -10.006 -2.895 -7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -8.650 -3.863 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -10.404 -6.150 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -9.132 -5.432 -5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -10.810 -5.495 -4.643 1.00 0.00 H new ATOM 1318 N LYS A 204 -10.568 -0.856 -6.489 1.00 0.00 N ATOM 1319 CA LYS A 204 -10.084 0.344 -7.171 1.00 0.00 C ATOM 1320 C LYS A 204 -9.588 1.398 -6.183 1.00 0.00 C ATOM 1321 O LYS A 204 -8.790 2.251 -6.558 1.00 0.00 O ATOM 1322 CB LYS A 204 -11.122 0.926 -8.133 1.00 0.00 C ATOM 1323 CG LYS A 204 -12.334 1.588 -7.458 1.00 0.00 C ATOM 1324 CD LYS A 204 -12.930 2.696 -8.319 1.00 0.00 C ATOM 1325 CE LYS A 204 -13.862 2.177 -9.411 1.00 0.00 C ATOM 1326 NZ LYS A 204 -14.229 3.266 -10.332 1.00 0.00 N ATOM 0 H LYS A 204 -11.558 -1.068 -6.610 1.00 0.00 H new ATOM 0 HA LYS A 204 -9.231 0.033 -7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 204 -10.632 1.663 -8.770 1.00 0.00 H new ATOM 0 HB3 LYS A 204 -11.479 0.128 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 204 -13.095 0.834 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 204 -12.033 1.999 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 204 -13.480 3.387 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 204 -12.121 3.263 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 204 -13.374 1.374 -9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 204 -14.760 1.754 -8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 204 -15.013 2.956 -10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 204 -14.525 4.099 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 204 -13.409 3.513 -10.922 1.00 0.00 H new ATOM 1340 N MET A 205 -10.088 1.352 -4.949 1.00 0.00 N ATOM 1341 CA MET A 205 -9.847 2.317 -3.894 1.00 0.00 C ATOM 1342 C MET A 205 -8.493 1.974 -3.279 1.00 0.00 C ATOM 1343 O MET A 205 -7.635 2.847 -3.155 1.00 0.00 O ATOM 1344 CB MET A 205 -10.973 2.179 -2.851 1.00 0.00 C ATOM 1345 CG MET A 205 -12.305 2.714 -3.355 1.00 0.00 C ATOM 1346 SD MET A 205 -12.497 4.488 -3.205 1.00 0.00 S ATOM 1347 CE MET A 205 -13.832 4.687 -4.399 1.00 0.00 C ATOM 0 H MET A 205 -10.705 0.597 -4.649 1.00 0.00 H new ATOM 0 HA MET A 205 -9.837 3.343 -4.263 1.00 0.00 H new ATOM 0 HB2 MET A 205 -11.086 1.129 -2.580 1.00 0.00 H new ATOM 0 HB3 MET A 205 -10.691 2.713 -1.944 1.00 0.00 H new ATOM 0 HG2 MET A 205 -12.421 2.436 -4.403 1.00 0.00 H new ATOM 0 HG3 MET A 205 -13.110 2.226 -2.805 1.00 0.00 H new ATOM 0 HE1 MET A 205 -13.534 5.407 -5.161 1.00 0.00 H new ATOM 0 HE2 MET A 205 -14.045 3.727 -4.870 1.00 0.00 H new ATOM 0 HE3 MET A 205 -14.726 5.047 -3.889 1.00 0.00 H new ATOM 1357 N MET A 206 -8.287 0.702 -2.910 1.00 0.00 N ATOM 1358 CA MET A 206 -7.025 0.198 -2.395 1.00 0.00 C ATOM 1359 C MET A 206 -5.922 0.335 -3.444 1.00 0.00 C ATOM 1360 O MET A 206 -4.829 0.747 -3.060 1.00 0.00 O ATOM 1361 CB MET A 206 -7.118 -1.244 -1.844 1.00 0.00 C ATOM 1362 CG MET A 206 -7.652 -2.365 -2.730 1.00 0.00 C ATOM 1363 SD MET A 206 -6.984 -3.987 -2.313 1.00 0.00 S ATOM 1364 CE MET A 206 -8.070 -4.419 -0.945 1.00 0.00 C ATOM 0 H MET A 206 -9.013 -0.012 -2.966 1.00 0.00 H new ATOM 0 HA MET A 206 -6.766 0.819 -1.538 1.00 0.00 H new ATOM 0 HB2 MET A 206 -6.118 -1.533 -1.522 1.00 0.00 H new ATOM 0 HB3 MET A 206 -7.743 -1.211 -0.951 1.00 0.00 H new ATOM 0 HG2 MET A 206 -8.739 -2.396 -2.649 1.00 0.00 H new ATOM 0 HG3 MET A 206 -7.416 -2.140 -3.770 1.00 0.00 H new ATOM 0 HE1 MET A 206 -7.798 -5.402 -0.561 1.00 0.00 H new ATOM 0 HE2 MET A 206 -7.968 -3.678 -0.152 1.00 0.00 H new ATOM 0 HE3 MET A 206 -9.103 -4.439 -1.293 1.00 0.00 H new ATOM 1374 N GLU A 207 -6.174 0.034 -4.727 1.00 0.00 N ATOM 1375 CA GLU A 207 -5.219 0.259 -5.813 1.00 0.00 C ATOM 1376 C GLU A 207 -4.749 1.711 -5.741 1.00 0.00 C ATOM 1377 O GLU A 207 -3.563 1.961 -5.526 1.00 0.00 O ATOM 1378 CB GLU A 207 -5.816 -0.055 -7.200 1.00 0.00 C ATOM 1379 CG GLU A 207 -5.728 -1.542 -7.592 1.00 0.00 C ATOM 1380 CD GLU A 207 -6.105 -1.787 -9.066 1.00 0.00 C ATOM 1381 OE1 GLU A 207 -5.643 -1.027 -9.955 1.00 0.00 O ATOM 1382 OE2 GLU A 207 -6.825 -2.775 -9.350 1.00 0.00 O ATOM 0 H GLU A 207 -7.055 -0.376 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 207 -4.378 -0.423 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -6.861 0.254 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -5.298 0.541 -7.952 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -4.714 -1.902 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -6.389 -2.124 -6.950 1.00 0.00 H new ATOM 1389 N ARG A 208 -5.683 2.661 -5.841 1.00 0.00 N ATOM 1390 CA ARG A 208 -5.385 4.087 -5.814 1.00 0.00 C ATOM 1391 C ARG A 208 -4.599 4.489 -4.581 1.00 0.00 C ATOM 1392 O ARG A 208 -3.543 5.109 -4.721 1.00 0.00 O ATOM 1393 CB ARG A 208 -6.684 4.892 -5.904 1.00 0.00 C ATOM 1394 CG ARG A 208 -6.652 5.808 -7.125 1.00 0.00 C ATOM 1395 CD ARG A 208 -5.506 6.818 -7.045 1.00 0.00 C ATOM 1396 NE ARG A 208 -4.323 6.450 -7.855 1.00 0.00 N ATOM 1397 CZ ARG A 208 -3.365 7.279 -8.291 1.00 0.00 C ATOM 1398 NH1 ARG A 208 -3.474 8.594 -8.123 1.00 0.00 N ATOM 1399 NH2 ARG A 208 -2.290 6.782 -8.891 1.00 0.00 N ATOM 0 H ARG A 208 -6.677 2.454 -5.944 1.00 0.00 H new ATOM 0 HA ARG A 208 -4.757 4.307 -6.678 1.00 0.00 H new ATOM 0 HB2 ARG A 208 -7.536 4.215 -5.970 1.00 0.00 H new ATOM 0 HB3 ARG A 208 -6.817 5.485 -4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 208 -6.545 5.207 -8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 208 -7.600 6.339 -7.206 1.00 0.00 H new ATOM 0 HD2 ARG A 208 -5.870 7.792 -7.373 1.00 0.00 H new ATOM 0 HD3 ARG A 208 -5.202 6.925 -6.004 1.00 0.00 H new ATOM 0 HE ARG A 208 -4.228 5.466 -8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 208 -4.294 8.982 -7.657 1.00 0.00 H new ATOM 0 HH12 ARG A 208 -2.737 9.214 -8.460 1.00 0.00 H new ATOM 0 HH21 ARG A 208 -2.197 5.774 -9.018 1.00 0.00 H new ATOM 0 HH22 ARG A 208 -1.557 7.408 -9.225 1.00 0.00 H new ATOM 1413 N VAL A 209 -5.139 4.207 -3.393 1.00 0.00 N ATOM 1414 CA VAL A 209 -4.549 4.631 -2.139 1.00 0.00 C ATOM 1415 C VAL A 209 -3.123 4.130 -2.077 1.00 0.00 C ATOM 1416 O VAL A 209 -2.213 4.926 -1.856 1.00 0.00 O ATOM 1417 CB VAL A 209 -5.429 4.192 -0.940 1.00 0.00 C ATOM 1418 CG1 VAL A 209 -4.682 3.886 0.367 1.00 0.00 C ATOM 1419 CG2 VAL A 209 -6.428 5.297 -0.639 1.00 0.00 C ATOM 0 H VAL A 209 -6.002 3.675 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 209 -4.511 5.719 -2.078 1.00 0.00 H new ATOM 0 HB VAL A 209 -5.887 3.255 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 209 -5.397 3.590 1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 209 -3.973 3.075 0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 209 -4.145 4.776 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 209 -7.054 5.002 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 209 -5.893 6.213 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 209 -7.054 5.470 -1.514 1.00 0.00 H new ATOM 1429 N VAL A 210 -2.936 2.826 -2.242 1.00 0.00 N ATOM 1430 CA VAL A 210 -1.653 2.206 -1.993 1.00 0.00 C ATOM 1431 C VAL A 210 -0.676 2.644 -3.079 1.00 0.00 C ATOM 1432 O VAL A 210 0.461 2.931 -2.742 1.00 0.00 O ATOM 1433 CB VAL A 210 -1.836 0.686 -1.919 1.00 0.00 C ATOM 1434 CG1 VAL A 210 -0.539 -0.121 -1.916 1.00 0.00 C ATOM 1435 CG2 VAL A 210 -2.651 0.333 -0.660 1.00 0.00 C ATOM 0 H VAL A 210 -3.664 2.180 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 210 -1.235 2.521 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 210 -2.358 0.408 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 210 -0.772 -1.184 -1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 210 0.018 0.082 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 210 0.064 0.163 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 210 -2.784 -0.747 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 210 -2.120 0.680 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 210 -3.627 0.816 -0.711 1.00 0.00 H new ATOM 1445 N GLU A 211 -1.082 2.766 -4.346 1.00 0.00 N ATOM 1446 CA GLU A 211 -0.196 3.207 -5.418 1.00 0.00 C ATOM 1447 C GLU A 211 0.371 4.590 -5.086 1.00 0.00 C ATOM 1448 O GLU A 211 1.584 4.801 -5.076 1.00 0.00 O ATOM 1449 CB GLU A 211 -0.973 3.197 -6.746 1.00 0.00 C ATOM 1450 CG GLU A 211 -0.055 3.453 -7.941 1.00 0.00 C ATOM 1451 CD GLU A 211 -0.805 3.358 -9.269 1.00 0.00 C ATOM 1452 OE1 GLU A 211 -1.715 4.180 -9.529 1.00 0.00 O ATOM 1453 OE2 GLU A 211 -0.426 2.518 -10.118 1.00 0.00 O ATOM 0 H GLU A 211 -2.033 2.561 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 211 0.651 2.528 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 211 -1.471 2.235 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 211 -1.753 3.958 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 211 0.394 4.442 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 211 0.761 2.730 -7.933 1.00 0.00 H new ATOM 1460 N GLN A 212 -0.519 5.527 -4.770 1.00 0.00 N ATOM 1461 CA GLN A 212 -0.210 6.897 -4.425 1.00 0.00 C ATOM 1462 C GLN A 212 0.534 7.002 -3.073 1.00 0.00 C ATOM 1463 O GLN A 212 1.180 8.015 -2.798 1.00 0.00 O ATOM 1464 CB GLN A 212 -1.571 7.613 -4.492 1.00 0.00 C ATOM 1465 CG GLN A 212 -1.519 9.134 -4.335 1.00 0.00 C ATOM 1466 CD GLN A 212 -1.558 9.635 -2.892 1.00 0.00 C ATOM 1467 OE1 GLN A 212 -1.989 8.823 -1.944 1.00 0.00 O flip ATOM 1468 NE2 GLN A 212 -1.239 10.786 -2.607 1.00 0.00 N flip ATOM 0 H GLN A 212 -1.520 5.335 -4.749 1.00 0.00 H new ATOM 0 HA GLN A 212 0.498 7.372 -5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -2.039 7.379 -5.448 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -2.216 7.206 -3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -0.608 9.502 -4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -2.358 9.569 -4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -0.905 11.418 -3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -1.308 11.110 -1.642 1.00 0.00 H new ATOM 1477 N MET A 213 0.483 5.970 -2.226 1.00 0.00 N ATOM 1478 CA MET A 213 1.242 5.867 -0.980 1.00 0.00 C ATOM 1479 C MET A 213 2.639 5.304 -1.249 1.00 0.00 C ATOM 1480 O MET A 213 3.612 5.889 -0.778 1.00 0.00 O ATOM 1481 CB MET A 213 0.480 4.992 0.025 1.00 0.00 C ATOM 1482 CG MET A 213 -0.737 5.712 0.621 1.00 0.00 C ATOM 1483 SD MET A 213 -0.460 6.517 2.221 1.00 0.00 S ATOM 1484 CE MET A 213 -1.507 5.458 3.243 1.00 0.00 C ATOM 0 H MET A 213 -0.108 5.157 -2.396 1.00 0.00 H new ATOM 0 HA MET A 213 1.359 6.863 -0.552 1.00 0.00 H new ATOM 0 HB2 MET A 213 0.152 4.077 -0.469 1.00 0.00 H new ATOM 0 HB3 MET A 213 1.154 4.696 0.829 1.00 0.00 H new ATOM 0 HG2 MET A 213 -1.077 6.464 -0.091 1.00 0.00 H new ATOM 0 HG3 MET A 213 -1.546 4.990 0.732 1.00 0.00 H new ATOM 0 HE1 MET A 213 -1.468 5.798 4.278 1.00 0.00 H new ATOM 0 HE2 MET A 213 -2.535 5.506 2.883 1.00 0.00 H new ATOM 0 HE3 MET A 213 -1.151 4.430 3.185 1.00 0.00 H new ATOM 1494 N CYS A 214 2.754 4.218 -2.023 1.00 0.00 N ATOM 1495 CA CYS A 214 3.991 3.528 -2.372 1.00 0.00 C ATOM 1496 C CYS A 214 5.002 4.537 -2.908 1.00 0.00 C ATOM 1497 O CYS A 214 6.156 4.489 -2.500 1.00 0.00 O ATOM 1498 CB CYS A 214 3.735 2.399 -3.386 1.00 0.00 C ATOM 1499 SG CYS A 214 2.917 0.882 -2.795 1.00 0.00 S ATOM 0 H CYS A 214 1.937 3.776 -2.444 1.00 0.00 H new ATOM 0 HA CYS A 214 4.400 3.062 -1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 214 3.132 2.809 -4.196 1.00 0.00 H new ATOM 0 HB3 CYS A 214 4.695 2.114 -3.817 1.00 0.00 H new ATOM 1504 N VAL A 215 4.597 5.474 -3.771 1.00 0.00 N ATOM 1505 CA VAL A 215 5.458 6.475 -4.340 1.00 0.00 C ATOM 1506 C VAL A 215 5.972 7.442 -3.264 1.00 0.00 C ATOM 1507 O VAL A 215 7.171 7.690 -3.210 1.00 0.00 O ATOM 1508 CB VAL A 215 4.648 7.145 -5.456 1.00 0.00 C ATOM 1509 CG1 VAL A 215 5.441 8.290 -6.045 1.00 0.00 C ATOM 1510 CG2 VAL A 215 4.348 6.163 -6.596 1.00 0.00 C ATOM 0 H VAL A 215 3.631 5.545 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 215 6.368 6.049 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 215 3.714 7.494 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 215 4.862 8.764 -6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 215 5.657 9.022 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 215 6.377 7.911 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 215 3.773 6.670 -7.371 1.00 0.00 H new ATOM 0 HG22 VAL A 215 5.285 5.799 -7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 215 3.774 5.321 -6.209 1.00 0.00 H new ATOM 1520 N THR A 216 5.123 7.983 -2.387 1.00 0.00 N ATOM 1521 CA THR A 216 5.609 8.798 -1.274 1.00 0.00 C ATOM 1522 C THR A 216 6.578 7.991 -0.419 1.00 0.00 C ATOM 1523 O THR A 216 7.656 8.490 -0.119 1.00 0.00 O ATOM 1524 CB THR A 216 4.412 9.315 -0.459 1.00 0.00 C ATOM 1525 OG1 THR A 216 3.933 10.521 -1.021 1.00 0.00 O ATOM 1526 CG2 THR A 216 4.763 9.598 1.004 1.00 0.00 C ATOM 0 H THR A 216 4.110 7.873 -2.425 1.00 0.00 H new ATOM 0 HA THR A 216 6.155 9.661 -1.654 1.00 0.00 H new ATOM 0 HB THR A 216 3.660 8.527 -0.491 1.00 0.00 H new ATOM 0 HG1 THR A 216 3.170 10.845 -0.499 1.00 0.00 H new ATOM 0 HG21 THR A 216 3.878 9.960 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 216 5.115 8.681 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 216 5.547 10.354 1.050 1.00 0.00 H new ATOM 1534 N GLN A 217 6.219 6.776 -0.009 1.00 0.00 N ATOM 1535 CA GLN A 217 7.092 5.963 0.817 1.00 0.00 C ATOM 1536 C GLN A 217 8.426 5.750 0.073 1.00 0.00 C ATOM 1537 O GLN A 217 9.478 5.819 0.708 1.00 0.00 O ATOM 1538 CB GLN A 217 6.314 4.709 1.265 1.00 0.00 C ATOM 1539 CG GLN A 217 7.172 3.500 1.638 1.00 0.00 C ATOM 1540 CD GLN A 217 7.815 3.645 3.015 1.00 0.00 C ATOM 1541 OE1 GLN A 217 7.244 3.246 4.024 1.00 0.00 O ATOM 1542 NE2 GLN A 217 8.963 4.283 3.104 1.00 0.00 N ATOM 0 H GLN A 217 5.327 6.338 -0.239 1.00 0.00 H new ATOM 0 HA GLN A 217 7.388 6.442 1.750 1.00 0.00 H new ATOM 0 HB2 GLN A 217 5.697 4.973 2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 217 5.636 4.418 0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 217 6.556 2.601 1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 217 7.952 3.366 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 217 9.431 4.611 2.259 1.00 0.00 H new ATOM 0 HE22 GLN A 217 9.385 4.449 4.018 1.00 0.00 H new ATOM 1551 N TYR A 218 8.415 5.595 -1.255 1.00 0.00 N ATOM 1552 CA TYR A 218 9.623 5.542 -2.065 1.00 0.00 C ATOM 1553 C TYR A 218 10.421 6.828 -2.021 1.00 0.00 C ATOM 1554 O TYR A 218 11.640 6.744 -2.014 1.00 0.00 O ATOM 1555 CB TYR A 218 9.336 5.076 -3.517 1.00 0.00 C ATOM 1556 CG TYR A 218 10.133 5.737 -4.650 1.00 0.00 C ATOM 1557 CD1 TYR A 218 9.830 7.034 -5.113 1.00 0.00 C ATOM 1558 CD2 TYR A 218 11.187 5.044 -5.267 1.00 0.00 C ATOM 1559 CE1 TYR A 218 10.637 7.673 -6.076 1.00 0.00 C ATOM 1560 CE2 TYR A 218 11.974 5.645 -6.261 1.00 0.00 C ATOM 1561 CZ TYR A 218 11.730 6.980 -6.642 1.00 0.00 C ATOM 1562 OH TYR A 218 12.497 7.551 -7.613 1.00 0.00 O ATOM 0 H TYR A 218 7.556 5.503 -1.797 1.00 0.00 H new ATOM 0 HA TYR A 218 10.257 4.781 -1.610 1.00 0.00 H new ATOM 0 HB2 TYR A 218 9.513 4.002 -3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 218 8.276 5.234 -3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 218 8.964 7.547 -4.723 1.00 0.00 H new ATOM 0 HD2 TYR A 218 11.396 4.027 -4.970 1.00 0.00 H new ATOM 0 HE1 TYR A 218 10.421 8.687 -6.379 1.00 0.00 H new ATOM 0 HE2 TYR A 218 12.767 5.085 -6.734 1.00 0.00 H new ATOM 0 HH TYR A 218 13.203 6.927 -7.881 1.00 0.00 H new ATOM 1572 N GLN A 219 9.802 8.000 -1.981 1.00 0.00 N ATOM 1573 CA GLN A 219 10.525 9.262 -1.939 1.00 0.00 C ATOM 1574 C GLN A 219 11.385 9.368 -0.669 1.00 0.00 C ATOM 1575 O GLN A 219 12.471 9.945 -0.701 1.00 0.00 O ATOM 1576 CB GLN A 219 9.510 10.409 -2.115 1.00 0.00 C ATOM 1577 CG GLN A 219 9.046 10.534 -3.577 1.00 0.00 C ATOM 1578 CD GLN A 219 7.856 11.465 -3.814 1.00 0.00 C ATOM 1579 OE1 GLN A 219 7.279 11.468 -4.899 1.00 0.00 O ATOM 1580 NE2 GLN A 219 7.449 12.272 -2.848 1.00 0.00 N ATOM 0 H GLN A 219 8.787 8.102 -1.977 1.00 0.00 H new ATOM 0 HA GLN A 219 11.240 9.327 -2.759 1.00 0.00 H new ATOM 0 HB2 GLN A 219 8.647 10.234 -1.472 1.00 0.00 H new ATOM 0 HB3 GLN A 219 9.961 11.348 -1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 219 9.885 10.886 -4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 219 8.786 9.541 -3.943 1.00 0.00 H new ATOM 0 HE21 GLN A 219 7.927 12.271 -1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 219 6.657 12.896 -3.004 1.00 0.00 H new ATOM 1589 N LYS A 220 10.984 8.747 0.442 1.00 0.00 N ATOM 1590 CA LYS A 220 11.801 8.645 1.642 1.00 0.00 C ATOM 1591 C LYS A 220 12.911 7.685 1.291 1.00 0.00 C ATOM 1592 O LYS A 220 14.020 8.138 1.061 1.00 0.00 O ATOM 1593 CB LYS A 220 10.991 8.225 2.878 1.00 0.00 C ATOM 1594 CG LYS A 220 10.040 9.334 3.353 1.00 0.00 C ATOM 1595 CD LYS A 220 8.831 9.516 2.424 1.00 0.00 C ATOM 1596 CE LYS A 220 7.821 10.490 3.050 1.00 0.00 C ATOM 1597 NZ LYS A 220 8.249 11.910 2.968 1.00 0.00 N ATOM 0 H LYS A 220 10.073 8.298 0.530 1.00 0.00 H new ATOM 0 HA LYS A 220 12.208 9.613 1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 220 10.415 7.330 2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 220 11.674 7.964 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 220 9.689 9.100 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 220 10.588 10.274 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 220 9.161 9.895 1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 220 8.354 8.553 2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 220 6.859 10.378 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 220 7.669 10.223 4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 220 7.527 12.516 3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 220 9.152 12.030 3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 220 8.368 12.180 1.971 1.00 0.00 H new ATOM 1611 N GLU A 221 12.584 6.416 1.104 1.00 0.00 N ATOM 1612 CA GLU A 221 13.464 5.302 0.778 1.00 0.00 C ATOM 1613 C GLU A 221 14.470 5.563 -0.351 1.00 0.00 C ATOM 1614 O GLU A 221 15.464 4.845 -0.429 1.00 0.00 O ATOM 1615 CB GLU A 221 12.542 4.134 0.395 1.00 0.00 C ATOM 1616 CG GLU A 221 12.077 3.204 1.531 1.00 0.00 C ATOM 1617 CD GLU A 221 12.277 3.733 2.951 1.00 0.00 C ATOM 1618 OE1 GLU A 221 11.695 4.779 3.308 1.00 0.00 O ATOM 1619 OE2 GLU A 221 13.094 3.131 3.686 1.00 0.00 O ATOM 0 H GLU A 221 11.614 6.112 1.183 1.00 0.00 H new ATOM 0 HA GLU A 221 14.091 5.102 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 221 11.656 4.547 -0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 221 13.057 3.527 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 221 11.017 2.991 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 221 12.608 2.256 1.439 1.00 0.00 H new ATOM 1626 N SER A 222 14.231 6.557 -1.208 1.00 0.00 N ATOM 1627 CA SER A 222 15.023 6.895 -2.375 1.00 0.00 C ATOM 1628 C SER A 222 15.809 8.166 -2.180 1.00 0.00 C ATOM 1629 O SER A 222 17.021 8.108 -2.323 1.00 0.00 O ATOM 1630 CB SER A 222 14.133 6.977 -3.606 1.00 0.00 C ATOM 1631 OG SER A 222 13.597 5.689 -3.771 1.00 0.00 O ATOM 0 H SER A 222 13.431 7.179 -1.093 1.00 0.00 H new ATOM 0 HA SER A 222 15.753 6.100 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 222 13.343 7.716 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 222 14.705 7.279 -4.484 1.00 0.00 H new ATOM 0 HG SER A 222 12.893 5.712 -4.453 1.00 0.00 H new ATOM 1637 N GLN A 223 15.187 9.294 -1.835 1.00 0.00 N ATOM 1638 CA GLN A 223 15.965 10.504 -1.574 1.00 0.00 C ATOM 1639 C GLN A 223 16.838 10.294 -0.334 1.00 0.00 C ATOM 1640 O GLN A 223 18.011 10.640 -0.370 1.00 0.00 O ATOM 1641 CB GLN A 223 15.107 11.766 -1.440 1.00 0.00 C ATOM 1642 CG GLN A 223 14.583 12.338 -2.765 1.00 0.00 C ATOM 1643 CD GLN A 223 13.396 11.587 -3.361 1.00 0.00 C ATOM 1644 OE1 GLN A 223 12.255 11.762 -2.950 1.00 0.00 O ATOM 1645 NE2 GLN A 223 13.621 10.761 -4.371 1.00 0.00 N ATOM 0 H GLN A 223 14.177 9.395 -1.732 1.00 0.00 H new ATOM 0 HA GLN A 223 16.598 10.675 -2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 223 14.256 11.542 -0.797 1.00 0.00 H new ATOM 0 HB3 GLN A 223 15.694 12.534 -0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 223 14.295 13.377 -2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 223 15.396 12.339 -3.491 1.00 0.00 H new ATOM 0 HE21 GLN A 223 14.572 10.618 -4.711 1.00 0.00 H new ATOM 0 HE22 GLN A 223 12.843 10.268 -4.810 1.00 0.00 H new ATOM 1654 N ALA A 224 16.339 9.623 0.708 1.00 0.00 N ATOM 1655 CA ALA A 224 17.134 9.193 1.857 1.00 0.00 C ATOM 1656 C ALA A 224 18.239 8.204 1.472 1.00 0.00 C ATOM 1657 O ALA A 224 19.094 7.885 2.301 1.00 0.00 O ATOM 1658 CB ALA A 224 16.225 8.510 2.883 1.00 0.00 C ATOM 0 H ALA A 224 15.356 9.360 0.776 1.00 0.00 H new ATOM 0 HA ALA A 224 17.601 10.088 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 224 16.819 8.190 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 224 15.459 9.211 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 224 15.749 7.642 2.427 1.00 0.00 H new ATOM 1664 N TYR A 225 18.202 7.680 0.245 1.00 0.00 N ATOM 1665 CA TYR A 225 19.183 6.799 -0.327 1.00 0.00 C ATOM 1666 C TYR A 225 19.809 7.386 -1.603 1.00 0.00 C ATOM 1667 O TYR A 225 20.320 6.650 -2.453 1.00 0.00 O ATOM 1668 CB TYR A 225 18.581 5.409 -0.489 1.00 0.00 C ATOM 1669 CG TYR A 225 19.608 4.320 -0.357 1.00 0.00 C ATOM 1670 CD1 TYR A 225 20.246 4.110 0.876 1.00 0.00 C ATOM 1671 CD2 TYR A 225 19.905 3.511 -1.457 1.00 0.00 C ATOM 1672 CE1 TYR A 225 21.172 3.061 1.015 1.00 0.00 C ATOM 1673 CE2 TYR A 225 20.822 2.462 -1.332 1.00 0.00 C ATOM 1674 CZ TYR A 225 21.446 2.223 -0.089 1.00 0.00 C ATOM 1675 OH TYR A 225 22.245 1.140 0.076 1.00 0.00 O ATOM 0 H TYR A 225 17.438 7.880 -0.400 1.00 0.00 H new ATOM 0 HA TYR A 225 20.029 6.695 0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 225 17.803 5.264 0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 225 18.101 5.336 -1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 225 20.026 4.753 1.716 1.00 0.00 H new ATOM 0 HD2 TYR A 225 19.425 3.696 -2.407 1.00 0.00 H new ATOM 0 HE1 TYR A 225 21.670 2.897 1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 225 21.051 1.838 -2.183 1.00 0.00 H new ATOM 0 HH TYR A 225 22.334 0.666 -0.777 1.00 0.00 H new ATOM 1685 N TYR A 226 19.819 8.721 -1.711 1.00 0.00 N ATOM 1686 CA TYR A 226 20.441 9.478 -2.788 1.00 0.00 C ATOM 1687 C TYR A 226 21.137 10.726 -2.250 1.00 0.00 C ATOM 1688 O TYR A 226 22.299 10.966 -2.575 1.00 0.00 O ATOM 1689 CB TYR A 226 19.395 9.866 -3.850 1.00 0.00 C ATOM 1690 CG TYR A 226 19.458 9.060 -5.130 1.00 0.00 C ATOM 1691 CD1 TYR A 226 18.808 7.815 -5.250 1.00 0.00 C ATOM 1692 CD2 TYR A 226 20.166 9.589 -6.225 1.00 0.00 C ATOM 1693 CE1 TYR A 226 18.888 7.102 -6.459 1.00 0.00 C ATOM 1694 CE2 TYR A 226 20.254 8.868 -7.429 1.00 0.00 C ATOM 1695 CZ TYR A 226 19.626 7.611 -7.543 1.00 0.00 C ATOM 1696 OH TYR A 226 19.715 6.886 -8.688 1.00 0.00 O ATOM 0 H TYR A 226 19.373 9.322 -1.018 1.00 0.00 H new ATOM 0 HA TYR A 226 21.194 8.842 -3.254 1.00 0.00 H new ATOM 0 HB2 TYR A 226 18.401 9.756 -3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 226 19.521 10.921 -4.095 1.00 0.00 H new ATOM 0 HD1 TYR A 226 18.251 7.411 -4.417 1.00 0.00 H new ATOM 0 HD2 TYR A 226 20.644 10.554 -6.140 1.00 0.00 H new ATOM 0 HE1 TYR A 226 18.378 6.155 -6.556 1.00 0.00 H new ATOM 0 HE2 TYR A 226 20.802 9.277 -8.265 1.00 0.00 H new ATOM 0 HH TYR A 226 20.258 7.373 -9.342 1.00 0.00 H new ATOM 1706 N ASP A 227 20.434 11.508 -1.434 1.00 0.00 N ATOM 1707 CA ASP A 227 20.706 12.894 -1.033 1.00 0.00 C ATOM 1708 C ASP A 227 22.039 13.107 -0.323 1.00 0.00 C ATOM 1709 O ASP A 227 22.577 14.215 -0.257 1.00 0.00 O ATOM 1710 CB ASP A 227 19.581 13.279 -0.078 1.00 0.00 C ATOM 1711 CG ASP A 227 19.651 14.712 0.450 1.00 0.00 C ATOM 1712 OD1 ASP A 227 19.565 15.656 -0.367 1.00 0.00 O ATOM 1713 OD2 ASP A 227 19.639 14.895 1.692 1.00 0.00 O ATOM 0 H ASP A 227 19.582 11.160 -0.995 1.00 0.00 H new ATOM 0 HA ASP A 227 20.760 13.503 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 227 18.627 13.141 -0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 227 19.592 12.593 0.769 1.00 0.00 H new ATOM 1718 N GLY A 228 22.576 12.022 0.212 1.00 0.00 N ATOM 1719 CA GLY A 228 23.989 11.824 0.438 1.00 0.00 C ATOM 1720 C GLY A 228 24.177 10.343 0.681 1.00 0.00 C ATOM 1721 O GLY A 228 24.473 9.919 1.802 1.00 0.00 O ATOM 0 H GLY A 228 22.012 11.226 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 228 24.570 12.154 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 228 24.331 12.405 1.295 1.00 0.00 H new ATOM 1725 N ARG A 229 23.872 9.555 -0.353 1.00 0.00 N ATOM 1726 CA ARG A 229 24.142 8.116 -0.414 1.00 0.00 C ATOM 1727 C ARG A 229 24.708 7.746 -1.779 1.00 0.00 C ATOM 1728 O ARG A 229 25.927 7.650 -1.915 1.00 0.00 O ATOM 1729 CB ARG A 229 22.873 7.322 -0.063 1.00 0.00 C ATOM 1730 CG ARG A 229 22.459 7.432 1.399 1.00 0.00 C ATOM 1731 CD ARG A 229 23.531 6.918 2.361 1.00 0.00 C ATOM 1732 NE ARG A 229 22.976 6.771 3.707 1.00 0.00 N ATOM 1733 CZ ARG A 229 22.455 7.754 4.445 1.00 0.00 C ATOM 1734 NH1 ARG A 229 22.738 9.027 4.175 1.00 0.00 N ATOM 1735 NH2 ARG A 229 21.634 7.431 5.436 1.00 0.00 N ATOM 0 H ARG A 229 23.418 9.910 -1.194 1.00 0.00 H new ATOM 0 HA ARG A 229 24.897 7.853 0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 229 22.053 7.672 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 229 23.035 6.272 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 229 22.239 8.474 1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 229 21.539 6.869 1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 229 23.914 5.959 2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 229 24.373 7.609 2.381 1.00 0.00 H new ATOM 0 HE ARG A 229 22.988 5.837 4.117 1.00 0.00 H new ATOM 0 HH11 ARG A 229 23.358 9.258 3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 229 22.335 9.771 4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 229 21.415 6.452 5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 229 21.222 8.162 6.016 1.00 0.00 H new