USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 98 SER OG : rot 73:sc= 0.0521 USER MOD Set 1.2: A 150 TYR OH : rot -19:sc= -1.19 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 150:sc= 0 (180deg=-0.00985) USER MOD Single : A 106 LYS NZ :NH3+ -159:sc= -0.012 (180deg=-0.152) USER MOD Single : A 107 ASN : amide:sc= -0.0613 K(o=-0.061,f=-1.5) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -117:sc= -4.35 (180deg=-10.8!) USER MOD Single : A 122 GLN : amide:sc= -0.0691 K(o=-0.069,f=-0.8) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 12:sc= 0.439 USER MOD Single : A 137 MET CE :methyl 148:sc= -0.286 (180deg=-2.8!) USER MOD Single : A 138 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0373) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.2!) USER MOD Single : A 144 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.016) USER MOD Single : A 157 MET CE :methyl 143:sc= -0.355 (180deg=-2.16) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N SER A 93 0.564 13.328 -3.639 1.00 0.00 N ATOM 72 CA SER A 93 1.200 12.137 -3.083 1.00 0.00 C ATOM 73 C SER A 93 0.581 11.765 -1.739 1.00 0.00 C ATOM 74 O SER A 93 -0.091 10.742 -1.616 1.00 0.00 O ATOM 75 CB SER A 93 2.707 12.357 -2.925 1.00 0.00 C ATOM 76 OG SER A 93 3.435 11.620 -3.893 1.00 0.00 O ATOM 0 HA SER A 93 1.035 11.313 -3.778 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.935 13.418 -3.024 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.019 12.056 -1.925 1.00 0.00 H new ATOM 0 HG SER A 93 4.394 11.779 -3.772 1.00 0.00 H new ATOM 82 N GLU A 94 0.813 12.604 -0.734 1.00 0.00 N ATOM 83 CA GLU A 94 0.279 12.364 0.603 1.00 0.00 C ATOM 84 C GLU A 94 -1.242 12.249 0.570 1.00 0.00 C ATOM 85 O GLU A 94 -1.818 11.340 1.167 1.00 0.00 O ATOM 86 CB GLU A 94 0.696 13.491 1.549 1.00 0.00 C ATOM 87 CG GLU A 94 0.428 13.186 3.014 1.00 0.00 C ATOM 88 CD GLU A 94 1.507 13.731 3.929 1.00 0.00 C ATOM 89 OE1 GLU A 94 1.588 14.968 4.080 1.00 0.00 O ATOM 90 OE2 GLU A 94 2.271 12.921 4.495 1.00 0.00 O ATOM 0 H GLU A 94 1.367 13.456 -0.820 1.00 0.00 H new ATOM 0 HA GLU A 94 0.688 11.422 0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.759 13.690 1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 94 0.164 14.401 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -0.534 13.611 3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.353 12.107 3.149 1.00 0.00 H new ATOM 97 N GLU A 95 -1.886 13.176 -0.131 1.00 0.00 N ATOM 98 CA GLU A 95 -3.340 13.179 -0.241 1.00 0.00 C ATOM 99 C GLU A 95 -3.836 11.908 -0.923 1.00 0.00 C ATOM 100 O GLU A 95 -4.929 11.422 -0.632 1.00 0.00 O ATOM 101 CB GLU A 95 -3.811 14.407 -1.021 1.00 0.00 C ATOM 102 CG GLU A 95 -3.691 15.706 -0.240 1.00 0.00 C ATOM 103 CD GLU A 95 -4.903 15.976 0.630 1.00 0.00 C ATOM 104 OE1 GLU A 95 -5.110 15.227 1.608 1.00 0.00 O ATOM 105 OE2 GLU A 95 -5.644 16.937 0.334 1.00 0.00 O ATOM 0 H GLU A 95 -1.424 13.935 -0.632 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.756 13.216 0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.229 14.489 -1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.851 14.264 -1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.800 15.668 0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.556 16.534 -0.937 1.00 0.00 H new ATOM 112 N GLU A 96 -3.026 11.374 -1.831 1.00 0.00 N ATOM 113 CA GLU A 96 -3.383 10.160 -2.555 1.00 0.00 C ATOM 114 C GLU A 96 -3.588 8.993 -1.594 1.00 0.00 C ATOM 115 O GLU A 96 -4.661 8.392 -1.551 1.00 0.00 O ATOM 116 CB GLU A 96 -2.298 9.811 -3.575 1.00 0.00 C ATOM 117 CG GLU A 96 -2.756 8.823 -4.636 1.00 0.00 C ATOM 118 CD GLU A 96 -3.296 9.508 -5.876 1.00 0.00 C ATOM 119 OE1 GLU A 96 -4.496 9.853 -5.888 1.00 0.00 O ATOM 120 OE2 GLU A 96 -2.518 9.700 -6.834 1.00 0.00 O ATOM 0 H GLU A 96 -2.117 11.763 -2.083 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.320 10.343 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.962 10.726 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.438 9.395 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -1.920 8.181 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.528 8.177 -4.217 1.00 0.00 H new ATOM 127 N LEU A 97 -2.551 8.678 -0.824 1.00 0.00 N ATOM 128 CA LEU A 97 -2.616 7.583 0.136 1.00 0.00 C ATOM 129 C LEU A 97 -3.697 7.836 1.182 1.00 0.00 C ATOM 130 O LEU A 97 -4.277 6.898 1.728 1.00 0.00 O ATOM 131 CB LEU A 97 -1.260 7.398 0.816 1.00 0.00 C ATOM 132 CG LEU A 97 -0.121 6.989 -0.121 1.00 0.00 C ATOM 133 CD1 LEU A 97 1.127 7.816 0.154 1.00 0.00 C ATOM 134 CD2 LEU A 97 0.177 5.503 0.018 1.00 0.00 C ATOM 0 H LEU A 97 -1.656 9.166 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.872 6.672 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.987 8.330 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.360 6.642 1.595 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.436 7.181 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.924 7.509 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.905 8.872 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.447 7.661 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.989 5.230 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.469 5.285 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.713 4.928 -0.236 1.00 0.00 H new ATOM 146 N SER A 98 -3.966 9.110 1.455 1.00 0.00 N ATOM 147 CA SER A 98 -4.980 9.485 2.434 1.00 0.00 C ATOM 148 C SER A 98 -6.333 8.881 2.072 1.00 0.00 C ATOM 149 O SER A 98 -7.093 8.464 2.946 1.00 0.00 O ATOM 150 CB SER A 98 -5.095 11.008 2.522 1.00 0.00 C ATOM 151 OG SER A 98 -5.560 11.412 3.798 1.00 0.00 O ATOM 0 H SER A 98 -3.496 9.899 1.012 1.00 0.00 H new ATOM 0 HA SER A 98 -4.675 9.094 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.123 11.461 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.777 11.369 1.752 1.00 0.00 H new ATOM 0 HG SER A 98 -4.845 11.296 4.458 1.00 0.00 H new ATOM 157 N ASP A 99 -6.625 8.837 0.776 1.00 0.00 N ATOM 158 CA ASP A 99 -7.884 8.281 0.294 1.00 0.00 C ATOM 159 C ASP A 99 -7.791 6.765 0.154 1.00 0.00 C ATOM 160 O ASP A 99 -8.800 6.063 0.222 1.00 0.00 O ATOM 161 CB ASP A 99 -8.259 8.907 -1.051 1.00 0.00 C ATOM 162 CG ASP A 99 -9.649 8.509 -1.507 1.00 0.00 C ATOM 163 OD1 ASP A 99 -9.787 7.427 -2.114 1.00 0.00 O ATOM 164 OD2 ASP A 99 -10.600 9.279 -1.256 1.00 0.00 O ATOM 0 H ASP A 99 -6.007 9.180 0.041 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.659 8.513 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.203 9.993 -0.972 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.532 8.604 -1.805 1.00 0.00 H new ATOM 169 N LEU A 100 -6.575 6.265 -0.043 1.00 0.00 N ATOM 170 CA LEU A 100 -6.352 4.831 -0.193 1.00 0.00 C ATOM 171 C LEU A 100 -6.537 4.107 1.137 1.00 0.00 C ATOM 172 O LEU A 100 -7.168 3.053 1.197 1.00 0.00 O ATOM 173 CB LEU A 100 -4.946 4.566 -0.736 1.00 0.00 C ATOM 174 CG LEU A 100 -4.822 4.587 -2.262 1.00 0.00 C ATOM 175 CD1 LEU A 100 -3.377 4.829 -2.678 1.00 0.00 C ATOM 176 CD2 LEU A 100 -5.339 3.286 -2.856 1.00 0.00 C ATOM 0 H LEU A 100 -5.729 6.832 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.088 4.448 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.267 5.312 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.611 3.594 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.430 5.406 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.309 4.841 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.040 5.787 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.746 4.032 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.243 3.318 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.757 2.451 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.387 3.155 -2.588 1.00 0.00 H new ATOM 188 N PHE A 101 -5.980 4.678 2.201 1.00 0.00 N ATOM 189 CA PHE A 101 -6.080 4.083 3.530 1.00 0.00 C ATOM 190 C PHE A 101 -7.536 3.940 3.963 1.00 0.00 C ATOM 191 O PHE A 101 -7.954 2.879 4.426 1.00 0.00 O ATOM 192 CB PHE A 101 -5.313 4.928 4.550 1.00 0.00 C ATOM 193 CG PHE A 101 -4.964 4.185 5.810 1.00 0.00 C ATOM 194 CD1 PHE A 101 -4.145 3.066 5.768 1.00 0.00 C ATOM 195 CD2 PHE A 101 -5.451 4.609 7.036 1.00 0.00 C ATOM 196 CE1 PHE A 101 -3.821 2.384 6.927 1.00 0.00 C ATOM 197 CE2 PHE A 101 -5.131 3.931 8.196 1.00 0.00 C ATOM 198 CZ PHE A 101 -4.314 2.817 8.142 1.00 0.00 C ATOM 0 H PHE A 101 -5.455 5.552 2.169 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.638 3.088 3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.396 5.294 4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.911 5.802 4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.756 2.724 4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.088 5.480 7.085 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.183 1.514 6.882 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.519 4.271 9.145 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.062 2.286 9.048 1.00 0.00 H new ATOM 208 N ARG A 102 -8.303 5.016 3.814 1.00 0.00 N ATOM 209 CA ARG A 102 -9.711 5.009 4.195 1.00 0.00 C ATOM 210 C ARG A 102 -10.479 3.926 3.443 1.00 0.00 C ATOM 211 O ARG A 102 -11.431 3.349 3.968 1.00 0.00 O ATOM 212 CB ARG A 102 -10.340 6.377 3.925 1.00 0.00 C ATOM 213 CG ARG A 102 -10.367 6.755 2.453 1.00 0.00 C ATOM 214 CD ARG A 102 -11.326 7.905 2.191 1.00 0.00 C ATOM 215 NE ARG A 102 -12.624 7.692 2.827 1.00 0.00 N ATOM 216 CZ ARG A 102 -13.520 6.803 2.404 1.00 0.00 C ATOM 217 NH1 ARG A 102 -13.262 6.043 1.347 1.00 0.00 N ATOM 218 NH2 ARG A 102 -14.675 6.672 3.041 1.00 0.00 N ATOM 0 H ARG A 102 -7.973 5.903 3.433 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.769 4.792 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.359 6.381 4.311 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.787 7.137 4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.364 7.035 2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.663 5.890 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -10.889 8.833 2.561 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.464 8.024 1.116 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.857 8.258 3.643 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.374 6.139 0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.952 5.363 1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.877 7.252 3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.362 5.991 2.717 1.00 0.00 H new ATOM 232 N MET A 103 -10.062 3.656 2.210 1.00 0.00 N ATOM 233 CA MET A 103 -10.713 2.642 1.388 1.00 0.00 C ATOM 234 C MET A 103 -10.106 1.264 1.636 1.00 0.00 C ATOM 235 O MET A 103 -10.786 0.245 1.522 1.00 0.00 O ATOM 236 CB MET A 103 -10.595 3.004 -0.093 1.00 0.00 C ATOM 237 CG MET A 103 -11.437 2.126 -1.004 1.00 0.00 C ATOM 238 SD MET A 103 -10.480 0.808 -1.778 1.00 0.00 S ATOM 239 CE MET A 103 -9.612 1.722 -3.051 1.00 0.00 C ATOM 0 H MET A 103 -9.277 4.125 1.758 1.00 0.00 H new ATOM 0 HA MET A 103 -11.767 2.609 1.665 1.00 0.00 H new ATOM 0 HB2 MET A 103 -10.892 4.044 -0.229 1.00 0.00 H new ATOM 0 HB3 MET A 103 -9.550 2.929 -0.394 1.00 0.00 H new ATOM 0 HG2 MET A 103 -12.252 1.688 -0.428 1.00 0.00 H new ATOM 0 HG3 MET A 103 -11.891 2.743 -1.779 1.00 0.00 H new ATOM 0 HE1 MET A 103 -8.652 1.246 -3.250 1.00 0.00 H new ATOM 0 HE2 MET A 103 -10.208 1.731 -3.963 1.00 0.00 H new ATOM 0 HE3 MET A 103 -9.447 2.746 -2.716 1.00 0.00 H new ATOM 249 N PHE A 104 -8.822 1.243 1.976 1.00 0.00 N ATOM 250 CA PHE A 104 -8.120 -0.008 2.240 1.00 0.00 C ATOM 251 C PHE A 104 -8.550 -0.602 3.577 1.00 0.00 C ATOM 252 O PHE A 104 -8.907 -1.778 3.659 1.00 0.00 O ATOM 253 CB PHE A 104 -6.608 0.225 2.235 1.00 0.00 C ATOM 254 CG PHE A 104 -5.812 -0.985 1.836 1.00 0.00 C ATOM 255 CD1 PHE A 104 -5.894 -2.157 2.569 1.00 0.00 C ATOM 256 CD2 PHE A 104 -4.980 -0.948 0.729 1.00 0.00 C ATOM 257 CE1 PHE A 104 -5.161 -3.270 2.206 1.00 0.00 C ATOM 258 CE2 PHE A 104 -4.244 -2.058 0.361 1.00 0.00 C ATOM 259 CZ PHE A 104 -4.335 -3.220 1.101 1.00 0.00 C ATOM 0 H PHE A 104 -8.246 2.079 2.075 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.376 -0.715 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.377 1.042 1.552 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.295 0.543 3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.539 -2.201 3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.906 -0.041 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.234 -4.178 2.786 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.599 -2.017 -0.504 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.761 -4.089 0.816 1.00 0.00 H new ATOM 269 N ASP A 105 -8.512 0.217 4.623 1.00 0.00 N ATOM 270 CA ASP A 105 -8.897 -0.228 5.957 1.00 0.00 C ATOM 271 C ASP A 105 -10.410 -0.408 6.056 1.00 0.00 C ATOM 272 O ASP A 105 -11.087 0.318 6.785 1.00 0.00 O ATOM 273 CB ASP A 105 -8.418 0.775 7.009 1.00 0.00 C ATOM 274 CG ASP A 105 -8.253 0.143 8.377 1.00 0.00 C ATOM 275 OD1 ASP A 105 -8.115 -1.097 8.446 1.00 0.00 O ATOM 276 OD2 ASP A 105 -8.260 0.888 9.380 1.00 0.00 O ATOM 0 H ASP A 105 -8.218 1.193 4.572 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.424 -1.192 6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -7.467 1.203 6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.131 1.597 7.075 1.00 0.00 H new ATOM 281 N LYS A 106 -10.933 -1.381 5.318 1.00 0.00 N ATOM 282 CA LYS A 106 -12.365 -1.659 5.321 1.00 0.00 C ATOM 283 C LYS A 106 -12.841 -2.084 6.709 1.00 0.00 C ATOM 284 O LYS A 106 -14.029 -1.995 7.020 1.00 0.00 O ATOM 285 CB LYS A 106 -12.695 -2.751 4.302 1.00 0.00 C ATOM 286 CG LYS A 106 -12.374 -2.361 2.867 1.00 0.00 C ATOM 287 CD LYS A 106 -11.578 -3.444 2.154 1.00 0.00 C ATOM 288 CE LYS A 106 -12.183 -3.785 0.802 1.00 0.00 C ATOM 289 NZ LYS A 106 -13.525 -4.416 0.937 1.00 0.00 N ATOM 0 H LYS A 106 -10.387 -1.991 4.710 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.885 -0.741 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.140 -3.654 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.755 -2.996 4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.301 -2.174 2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.808 -1.430 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.549 -3.111 2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.544 -4.340 2.774 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.267 -2.878 0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.516 -4.461 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.748 -4.946 0.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.523 -5.066 1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.242 -3.678 1.086 1.00 0.00 H new ATOM 303 N ASN A 107 -11.910 -2.545 7.540 1.00 0.00 N ATOM 304 CA ASN A 107 -12.240 -2.980 8.892 1.00 0.00 C ATOM 305 C ASN A 107 -12.642 -1.794 9.763 1.00 0.00 C ATOM 306 O ASN A 107 -13.356 -1.952 10.753 1.00 0.00 O ATOM 307 CB ASN A 107 -11.052 -3.710 9.520 1.00 0.00 C ATOM 308 CG ASN A 107 -11.395 -4.323 10.864 1.00 0.00 C ATOM 309 OD1 ASN A 107 -12.566 -4.520 11.189 1.00 0.00 O ATOM 310 ND2 ASN A 107 -10.372 -4.629 11.653 1.00 0.00 N ATOM 0 H ASN A 107 -10.922 -2.627 7.300 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.086 -3.665 8.830 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.711 -4.493 8.843 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.224 -3.012 9.643 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.541 -5.045 12.569 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.417 -4.448 11.343 1.00 0.00 H new ATOM 317 N ALA A 108 -12.177 -0.606 9.388 1.00 0.00 N ATOM 318 CA ALA A 108 -12.487 0.607 10.135 1.00 0.00 C ATOM 319 C ALA A 108 -11.907 0.547 11.544 1.00 0.00 C ATOM 320 O ALA A 108 -12.618 0.744 12.530 1.00 0.00 O ATOM 321 CB ALA A 108 -13.992 0.828 10.186 1.00 0.00 C ATOM 0 H ALA A 108 -11.584 -0.458 8.571 1.00 0.00 H new ATOM 0 HA ALA A 108 -12.028 1.450 9.618 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -14.207 1.737 10.747 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -14.380 0.927 9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -14.468 -0.022 10.675 1.00 0.00 H new ATOM 327 N ASP A 109 -10.610 0.272 11.631 1.00 0.00 N ATOM 328 CA ASP A 109 -9.931 0.185 12.919 1.00 0.00 C ATOM 329 C ASP A 109 -8.864 1.268 13.046 1.00 0.00 C ATOM 330 O ASP A 109 -8.669 1.837 14.120 1.00 0.00 O ATOM 331 CB ASP A 109 -9.296 -1.196 13.092 1.00 0.00 C ATOM 332 CG ASP A 109 -8.294 -1.512 11.998 1.00 0.00 C ATOM 333 OD1 ASP A 109 -8.702 -1.574 10.820 1.00 0.00 O ATOM 334 OD2 ASP A 109 -7.102 -1.699 12.321 1.00 0.00 O ATOM 0 H ASP A 109 -10.008 0.105 10.825 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.672 0.337 13.703 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.800 -1.246 14.061 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.078 -1.955 13.095 1.00 0.00 H new ATOM 339 N GLY A 110 -8.177 1.548 11.944 1.00 0.00 N ATOM 340 CA GLY A 110 -7.139 2.562 11.954 1.00 0.00 C ATOM 341 C GLY A 110 -5.802 2.034 11.469 1.00 0.00 C ATOM 342 O GLY A 110 -4.949 2.802 11.028 1.00 0.00 O ATOM 0 H GLY A 110 -8.320 1.091 11.044 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.446 3.397 11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.026 2.951 12.966 1.00 0.00 H new ATOM 346 N TYR A 111 -5.618 0.720 11.553 1.00 0.00 N ATOM 347 CA TYR A 111 -4.373 0.093 11.120 1.00 0.00 C ATOM 348 C TYR A 111 -4.654 -1.112 10.227 1.00 0.00 C ATOM 349 O TYR A 111 -5.794 -1.566 10.127 1.00 0.00 O ATOM 350 CB TYR A 111 -3.550 -0.342 12.335 1.00 0.00 C ATOM 351 CG TYR A 111 -3.524 0.679 13.451 1.00 0.00 C ATOM 352 CD1 TYR A 111 -3.261 2.017 13.188 1.00 0.00 C ATOM 353 CD2 TYR A 111 -3.764 0.303 14.767 1.00 0.00 C ATOM 354 CE1 TYR A 111 -3.236 2.952 14.206 1.00 0.00 C ATOM 355 CE2 TYR A 111 -3.742 1.232 15.789 1.00 0.00 C ATOM 356 CZ TYR A 111 -3.477 2.555 15.504 1.00 0.00 C ATOM 357 OH TYR A 111 -3.455 3.483 16.519 1.00 0.00 O ATOM 0 H TYR A 111 -6.314 0.069 11.916 1.00 0.00 H new ATOM 0 HA TYR A 111 -3.805 0.825 10.546 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -3.955 -1.278 12.720 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -2.528 -0.544 12.016 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.073 2.332 12.172 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -3.971 -0.732 14.994 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -3.029 3.989 13.985 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -3.931 0.924 16.807 1.00 0.00 H new ATOM 0 HH TYR A 111 -3.646 3.040 17.372 1.00 0.00 H new ATOM 367 N ILE A 112 -3.611 -1.631 9.583 1.00 0.00 N ATOM 368 CA ILE A 112 -3.762 -2.789 8.707 1.00 0.00 C ATOM 369 C ILE A 112 -2.982 -3.986 9.239 1.00 0.00 C ATOM 370 O ILE A 112 -1.849 -3.847 9.700 1.00 0.00 O ATOM 371 CB ILE A 112 -3.290 -2.484 7.272 1.00 0.00 C ATOM 372 CG1 ILE A 112 -3.884 -1.162 6.781 1.00 0.00 C ATOM 373 CG2 ILE A 112 -3.674 -3.623 6.339 1.00 0.00 C ATOM 374 CD1 ILE A 112 -3.521 -0.828 5.348 1.00 0.00 C ATOM 0 H ILE A 112 -2.659 -1.271 9.651 1.00 0.00 H new ATOM 0 HA ILE A 112 -4.826 -3.027 8.686 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.204 -2.389 7.275 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.969 -1.205 6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.542 -0.356 7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.335 -3.395 5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -3.205 -4.546 6.680 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -4.757 -3.744 6.340 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.977 0.122 5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.438 -0.752 5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.887 -1.614 4.687 1.00 0.00 H new ATOM 386 N ASP A 113 -3.597 -5.161 9.173 1.00 0.00 N ATOM 387 CA ASP A 113 -2.962 -6.385 9.649 1.00 0.00 C ATOM 388 C ASP A 113 -3.027 -7.477 8.585 1.00 0.00 C ATOM 389 O ASP A 113 -3.439 -7.229 7.452 1.00 0.00 O ATOM 390 CB ASP A 113 -3.637 -6.864 10.936 1.00 0.00 C ATOM 391 CG ASP A 113 -2.850 -6.485 12.176 1.00 0.00 C ATOM 392 OD1 ASP A 113 -2.256 -5.386 12.188 1.00 0.00 O ATOM 393 OD2 ASP A 113 -2.829 -7.286 13.134 1.00 0.00 O ATOM 0 H ASP A 113 -4.535 -5.292 8.794 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.914 -6.169 9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.638 -6.437 10.999 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.755 -7.947 10.900 1.00 0.00 H new ATOM 398 N LEU A 114 -2.617 -8.686 8.957 1.00 0.00 N ATOM 399 CA LEU A 114 -2.629 -9.817 8.034 1.00 0.00 C ATOM 400 C LEU A 114 -3.999 -9.978 7.381 1.00 0.00 C ATOM 401 O LEU A 114 -4.108 -10.468 6.257 1.00 0.00 O ATOM 402 CB LEU A 114 -2.246 -11.109 8.765 1.00 0.00 C ATOM 403 CG LEU A 114 -1.019 -11.019 9.684 1.00 0.00 C ATOM 404 CD1 LEU A 114 -0.044 -9.953 9.200 1.00 0.00 C ATOM 405 CD2 LEU A 114 -1.446 -10.742 11.119 1.00 0.00 C ATOM 0 H LEU A 114 -2.272 -8.908 9.891 1.00 0.00 H new ATOM 0 HA LEU A 114 -1.895 -9.618 7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.099 -11.434 9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.063 -11.884 8.021 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.506 -11.980 9.653 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.814 -9.913 9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.294 -10.199 8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.541 -8.983 9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.564 -10.682 11.756 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.989 -9.798 11.161 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.091 -11.548 11.469 1.00 0.00 H new ATOM 417 N GLU A 115 -5.042 -9.561 8.091 1.00 0.00 N ATOM 418 CA GLU A 115 -6.404 -9.658 7.579 1.00 0.00 C ATOM 419 C GLU A 115 -6.613 -8.705 6.407 1.00 0.00 C ATOM 420 O GLU A 115 -6.961 -9.128 5.304 1.00 0.00 O ATOM 421 CB GLU A 115 -7.411 -9.348 8.689 1.00 0.00 C ATOM 422 CG GLU A 115 -7.841 -10.592 9.442 1.00 0.00 C ATOM 423 OE1 GLU A 115 -7.769 -10.585 10.689 1.00 0.00 O ATOM 424 OE2 GLU A 115 -8.251 -11.572 8.785 1.00 0.00 O ATOM 0 H GLU A 115 -4.970 -9.153 9.023 1.00 0.00 H new ATOM 0 HA GLU A 115 -6.562 -10.678 7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.970 -8.637 9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.288 -8.867 8.256 1.00 0.00 H new ATOM 429 N GLU A 116 -6.399 -7.416 6.653 1.00 0.00 N ATOM 430 CA GLU A 116 -6.564 -6.402 5.617 1.00 0.00 C ATOM 431 C GLU A 116 -5.474 -6.524 4.558 1.00 0.00 C ATOM 432 O GLU A 116 -5.716 -6.288 3.374 1.00 0.00 O ATOM 433 CB GLU A 116 -6.538 -5.003 6.235 1.00 0.00 C ATOM 434 CG GLU A 116 -7.809 -4.647 6.989 1.00 0.00 C ATOM 435 CD GLU A 116 -7.804 -5.161 8.415 1.00 0.00 C ATOM 436 OE1 GLU A 116 -6.765 -5.019 9.093 1.00 0.00 O ATOM 437 OE2 GLU A 116 -8.839 -5.706 8.853 1.00 0.00 O ATOM 0 H GLU A 116 -6.111 -7.049 7.560 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.530 -6.562 5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.690 -4.931 6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -6.376 -4.269 5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.931 -3.564 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.668 -5.060 6.461 1.00 0.00 H new ATOM 444 N LEU A 117 -4.273 -6.895 4.989 1.00 0.00 N ATOM 445 CA LEU A 117 -3.146 -7.050 4.074 1.00 0.00 C ATOM 446 C LEU A 117 -3.519 -7.948 2.897 1.00 0.00 C ATOM 447 O LEU A 117 -2.964 -7.821 1.806 1.00 0.00 O ATOM 448 CB LEU A 117 -1.939 -7.631 4.811 1.00 0.00 C ATOM 449 CG LEU A 117 -0.587 -7.365 4.145 1.00 0.00 C ATOM 450 CD1 LEU A 117 0.142 -6.230 4.849 1.00 0.00 C ATOM 451 CD2 LEU A 117 0.264 -8.626 4.142 1.00 0.00 C ATOM 0 H LEU A 117 -4.054 -7.094 5.965 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.887 -6.064 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.917 -7.221 5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.074 -8.708 4.907 1.00 0.00 H new ATOM 0 HG LEU A 117 -0.766 -7.069 3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.101 -6.056 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.461 -5.323 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.309 -6.497 5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.221 -8.418 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.434 -8.953 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.253 -9.412 3.591 1.00 0.00 H new ATOM 463 N LYS A 118 -4.468 -8.850 3.125 1.00 0.00 N ATOM 464 CA LYS A 118 -4.922 -9.764 2.084 1.00 0.00 C ATOM 465 C LYS A 118 -5.558 -8.995 0.930 1.00 0.00 C ATOM 466 O LYS A 118 -5.527 -9.436 -0.219 1.00 0.00 O ATOM 467 CB LYS A 118 -5.930 -10.759 2.660 1.00 0.00 C ATOM 468 CG LYS A 118 -6.422 -11.782 1.649 1.00 0.00 C ATOM 469 CD LYS A 118 -7.832 -12.248 1.970 1.00 0.00 C ATOM 470 CE LYS A 118 -8.857 -11.164 1.678 1.00 0.00 C ATOM 471 NZ LYS A 118 -10.244 -11.615 1.979 1.00 0.00 N ATOM 0 H LYS A 118 -4.938 -8.967 4.023 1.00 0.00 H new ATOM 0 HA LYS A 118 -4.056 -10.308 1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -5.472 -11.282 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -6.785 -10.210 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.400 -11.347 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -5.748 -12.639 1.639 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.065 -13.137 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -7.892 -12.533 3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -8.627 -10.278 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -8.789 -10.873 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -10.913 -10.847 1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -10.473 -12.445 1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -10.316 -11.868 2.985 1.00 0.00 H new ATOM 485 N ILE A 119 -6.136 -7.842 1.251 1.00 0.00 N ATOM 486 CA ILE A 119 -6.788 -6.995 0.258 1.00 0.00 C ATOM 487 C ILE A 119 -5.895 -6.772 -0.964 1.00 0.00 C ATOM 488 O ILE A 119 -6.216 -7.213 -2.067 1.00 0.00 O ATOM 489 CB ILE A 119 -7.176 -5.635 0.881 1.00 0.00 C ATOM 490 CG1 ILE A 119 -8.336 -5.817 1.859 1.00 0.00 C ATOM 491 CG2 ILE A 119 -7.541 -4.615 -0.190 1.00 0.00 C ATOM 492 CD1 ILE A 119 -8.235 -4.940 3.088 1.00 0.00 C ATOM 0 H ILE A 119 -6.166 -7.470 2.200 1.00 0.00 H new ATOM 0 HA ILE A 119 -7.690 -7.510 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.310 -5.253 1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.272 -5.600 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -8.378 -6.861 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -7.809 -3.670 0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.688 -4.461 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.388 -4.983 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.092 -5.123 3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -7.316 -5.172 3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.224 -3.892 2.787 1.00 0.00 H new ATOM 504 N MET A 120 -4.778 -6.081 -0.760 1.00 0.00 N ATOM 505 CA MET A 120 -3.845 -5.795 -1.847 1.00 0.00 C ATOM 506 C MET A 120 -3.380 -7.078 -2.534 1.00 0.00 C ATOM 507 O MET A 120 -3.006 -7.062 -3.706 1.00 0.00 O ATOM 508 CB MET A 120 -2.636 -5.018 -1.322 1.00 0.00 C ATOM 509 CG MET A 120 -1.937 -5.692 -0.152 1.00 0.00 C ATOM 510 SD MET A 120 -0.746 -4.609 0.660 1.00 0.00 S ATOM 511 CE MET A 120 -1.609 -4.239 2.185 1.00 0.00 C ATOM 0 H MET A 120 -4.496 -5.709 0.147 1.00 0.00 H new ATOM 0 HA MET A 120 -4.371 -5.186 -2.583 1.00 0.00 H new ATOM 0 HB2 MET A 120 -1.921 -4.885 -2.133 1.00 0.00 H new ATOM 0 HB3 MET A 120 -2.960 -4.023 -1.016 1.00 0.00 H new ATOM 0 HG2 MET A 120 -2.682 -6.016 0.574 1.00 0.00 H new ATOM 0 HG3 MET A 120 -1.426 -6.588 -0.506 1.00 0.00 H new ATOM 0 HE1 MET A 120 -1.817 -3.170 2.235 1.00 0.00 H new ATOM 0 HE2 MET A 120 -2.547 -4.793 2.216 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.989 -4.528 3.033 1.00 0.00 H new ATOM 521 N LEU A 121 -3.404 -8.185 -1.799 1.00 0.00 N ATOM 522 CA LEU A 121 -2.982 -9.471 -2.344 1.00 0.00 C ATOM 523 C LEU A 121 -4.085 -10.100 -3.191 1.00 0.00 C ATOM 524 O LEU A 121 -3.813 -10.900 -4.085 1.00 0.00 O ATOM 525 CB LEU A 121 -2.586 -10.421 -1.213 1.00 0.00 C ATOM 526 CG LEU A 121 -1.121 -10.333 -0.780 1.00 0.00 C ATOM 527 CD1 LEU A 121 -0.828 -8.974 -0.162 1.00 0.00 C ATOM 528 CD2 LEU A 121 -0.786 -11.451 0.197 1.00 0.00 C ATOM 0 H LEU A 121 -3.710 -8.218 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.118 -9.297 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.218 -10.217 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.796 -11.443 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.492 -10.450 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.218 -8.930 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.028 -8.191 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.464 -8.826 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 121 0.260 -11.373 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.421 -11.366 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -0.956 -12.415 -0.281 1.00 0.00 H new ATOM 540 N GLN A 122 -5.330 -9.735 -2.905 1.00 0.00 N ATOM 541 CA GLN A 122 -6.469 -10.267 -3.646 1.00 0.00 C ATOM 542 C GLN A 122 -6.392 -9.882 -5.123 1.00 0.00 C ATOM 543 O GLN A 122 -7.014 -10.520 -5.972 1.00 0.00 O ATOM 544 CB GLN A 122 -7.779 -9.759 -3.038 1.00 0.00 C ATOM 545 CG GLN A 122 -8.614 -10.853 -2.394 1.00 0.00 C ATOM 546 CD GLN A 122 -10.102 -10.658 -2.616 1.00 0.00 C ATOM 547 OE1 GLN A 122 -10.560 -9.550 -2.892 1.00 0.00 O ATOM 548 NE2 GLN A 122 -10.864 -11.739 -2.496 1.00 0.00 N ATOM 0 H GLN A 122 -5.576 -9.075 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.441 -11.354 -3.575 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -7.552 -8.999 -2.291 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.368 -9.275 -3.817 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -8.314 -11.820 -2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -8.410 -10.878 -1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -10.441 -12.638 -2.266 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -11.872 -11.670 -2.634 1.00 0.00 H new ATOM 557 N ALA A 123 -5.632 -8.832 -5.422 1.00 0.00 N ATOM 558 CA ALA A 123 -5.482 -8.363 -6.794 1.00 0.00 C ATOM 559 C ALA A 123 -4.614 -9.312 -7.616 1.00 0.00 C ATOM 560 O ALA A 123 -4.831 -9.481 -8.816 1.00 0.00 O ATOM 561 CB ALA A 123 -4.892 -6.961 -6.809 1.00 0.00 C ATOM 0 H ALA A 123 -5.111 -8.291 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 123 -6.472 -8.338 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.785 -6.622 -7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -5.553 -6.282 -6.271 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -3.914 -6.973 -6.328 1.00 0.00 H new ATOM 567 N THR A 124 -3.629 -9.926 -6.968 1.00 0.00 N ATOM 568 CA THR A 124 -2.732 -10.853 -7.649 1.00 0.00 C ATOM 569 C THR A 124 -3.282 -12.276 -7.608 1.00 0.00 C ATOM 570 O THR A 124 -3.267 -12.987 -8.612 1.00 0.00 O ATOM 571 CB THR A 124 -1.338 -10.808 -7.018 1.00 0.00 C ATOM 572 OG1 THR A 124 -0.472 -11.736 -7.647 1.00 0.00 O ATOM 573 CG2 THR A 124 -1.335 -11.112 -5.536 1.00 0.00 C ATOM 0 H THR A 124 -3.432 -9.799 -5.975 1.00 0.00 H new ATOM 0 HA THR A 124 -2.658 -10.545 -8.692 1.00 0.00 H new ATOM 0 HB THR A 124 -0.994 -9.784 -7.161 1.00 0.00 H new ATOM 0 HG1 THR A 124 0.414 -11.691 -7.231 1.00 0.00 H new ATOM 0 HG21 THR A 124 -0.314 -11.062 -5.156 1.00 0.00 H new ATOM 0 HG22 THR A 124 -1.953 -10.381 -5.013 1.00 0.00 H new ATOM 0 HG23 THR A 124 -1.736 -12.112 -5.369 1.00 0.00 H new ATOM 581 N GLY A 125 -3.771 -12.683 -6.441 1.00 0.00 N ATOM 582 CA GLY A 125 -4.325 -14.018 -6.290 1.00 0.00 C ATOM 583 C GLY A 125 -3.379 -15.107 -6.762 1.00 0.00 C ATOM 584 O GLY A 125 -3.816 -16.196 -7.135 1.00 0.00 O ATOM 0 H GLY A 125 -3.794 -12.112 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.572 -14.187 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.257 -14.085 -6.851 1.00 0.00 H new ATOM 588 N GLU A 126 -2.082 -14.817 -6.745 1.00 0.00 N ATOM 589 CA GLU A 126 -1.077 -15.784 -7.173 1.00 0.00 C ATOM 590 C GLU A 126 -0.469 -16.500 -5.972 1.00 0.00 C ATOM 591 O GLU A 126 0.550 -16.070 -5.433 1.00 0.00 O ATOM 592 CB GLU A 126 0.022 -15.088 -7.978 1.00 0.00 C ATOM 593 CG GLU A 126 1.095 -16.037 -8.488 1.00 0.00 C ATOM 594 CD GLU A 126 1.434 -15.805 -9.948 1.00 0.00 C ATOM 595 OE1 GLU A 126 2.238 -14.893 -10.233 1.00 0.00 O ATOM 596 OE2 GLU A 126 0.895 -16.536 -10.805 1.00 0.00 O ATOM 0 H GLU A 126 -1.702 -13.921 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 126 -1.566 -16.524 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.430 -14.574 -8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 126 0.489 -14.325 -7.355 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.996 -15.917 -7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.758 -17.065 -8.356 1.00 0.00 H new ATOM 603 N THR A 127 -1.105 -17.591 -5.555 1.00 0.00 N ATOM 604 CA THR A 127 -0.630 -18.364 -4.413 1.00 0.00 C ATOM 605 C THR A 127 -0.609 -17.500 -3.151 1.00 0.00 C ATOM 606 O THR A 127 -1.567 -17.500 -2.383 1.00 0.00 O ATOM 607 CB THR A 127 0.761 -18.940 -4.701 1.00 0.00 C ATOM 608 OG1 THR A 127 0.708 -19.856 -5.780 1.00 0.00 O ATOM 609 CG2 THR A 127 1.373 -19.661 -3.519 1.00 0.00 C ATOM 0 H THR A 127 -1.950 -17.959 -5.991 1.00 0.00 H new ATOM 0 HA THR A 127 -1.317 -19.193 -4.245 1.00 0.00 H new ATOM 0 HB THR A 127 1.384 -18.078 -4.940 1.00 0.00 H new ATOM 0 HG1 THR A 127 1.605 -20.212 -5.951 1.00 0.00 H new ATOM 0 HG21 THR A 127 2.356 -20.042 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.474 -18.969 -2.683 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.730 -20.492 -3.227 1.00 0.00 H new ATOM 617 N ILE A 128 0.485 -16.761 -2.959 1.00 0.00 N ATOM 618 CA ILE A 128 0.654 -15.870 -1.804 1.00 0.00 C ATOM 619 C ILE A 128 0.025 -16.430 -0.521 1.00 0.00 C ATOM 620 O ILE A 128 0.711 -17.061 0.282 1.00 0.00 O ATOM 621 CB ILE A 128 0.084 -14.461 -2.086 1.00 0.00 C ATOM 622 CG1 ILE A 128 -1.131 -14.540 -3.009 1.00 0.00 C ATOM 623 CG2 ILE A 128 1.154 -13.570 -2.699 1.00 0.00 C ATOM 624 CD1 ILE A 128 -1.973 -13.284 -3.012 1.00 0.00 C ATOM 0 H ILE A 128 1.280 -16.761 -3.598 1.00 0.00 H new ATOM 0 HA ILE A 128 1.730 -15.798 -1.644 1.00 0.00 H new ATOM 0 HB ILE A 128 -0.234 -14.027 -1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.792 -14.742 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -1.752 -15.383 -2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 128 0.738 -12.581 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 128 1.993 -13.482 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 128 1.499 -14.007 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -2.817 -13.413 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -2.342 -13.091 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -1.367 -12.441 -3.344 1.00 0.00 H new ATOM 636 N THR A 129 -1.272 -16.181 -0.324 1.00 0.00 N ATOM 637 CA THR A 129 -1.976 -16.647 0.868 1.00 0.00 C ATOM 638 C THR A 129 -1.264 -16.171 2.126 1.00 0.00 C ATOM 639 O THR A 129 -0.330 -15.374 2.050 1.00 0.00 O ATOM 640 CB THR A 129 -2.097 -18.175 0.870 1.00 0.00 C ATOM 641 OG1 THR A 129 -0.820 -18.786 0.905 1.00 0.00 O ATOM 642 CG2 THR A 129 -2.834 -18.721 -0.333 1.00 0.00 C ATOM 0 H THR A 129 -1.855 -15.658 -0.978 1.00 0.00 H new ATOM 0 HA THR A 129 -2.981 -16.226 0.854 1.00 0.00 H new ATOM 0 HB THR A 129 -2.670 -18.412 1.766 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.141 -18.113 1.119 1.00 0.00 H new ATOM 0 HG21 THR A 129 -2.883 -19.808 -0.267 1.00 0.00 H new ATOM 0 HG22 THR A 129 -3.844 -18.313 -0.357 1.00 0.00 H new ATOM 0 HG23 THR A 129 -2.306 -18.436 -1.243 1.00 0.00 H new ATOM 650 N GLU A 130 -1.705 -16.663 3.283 1.00 0.00 N ATOM 651 CA GLU A 130 -1.104 -16.283 4.562 1.00 0.00 C ATOM 652 C GLU A 130 0.419 -16.207 4.458 1.00 0.00 C ATOM 653 O GLU A 130 1.060 -15.418 5.153 1.00 0.00 O ATOM 654 CB GLU A 130 -1.501 -17.282 5.651 1.00 0.00 C ATOM 655 CG GLU A 130 -2.797 -16.926 6.360 1.00 0.00 C ATOM 656 CD GLU A 130 -3.638 -18.145 6.685 1.00 0.00 C ATOM 657 OE1 GLU A 130 -3.069 -19.254 6.764 1.00 0.00 O ATOM 658 OE2 GLU A 130 -4.865 -17.991 6.859 1.00 0.00 O ATOM 0 H GLU A 130 -2.476 -17.326 3.362 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.478 -15.294 4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -1.600 -18.272 5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.699 -17.343 6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -2.567 -16.391 7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -3.375 -16.247 5.733 1.00 0.00 H new ATOM 665 N ASP A 131 0.989 -17.026 3.579 1.00 0.00 N ATOM 666 CA ASP A 131 2.431 -17.048 3.376 1.00 0.00 C ATOM 667 C ASP A 131 2.948 -15.668 2.979 1.00 0.00 C ATOM 668 O ASP A 131 3.841 -15.122 3.628 1.00 0.00 O ATOM 669 CB ASP A 131 2.801 -18.072 2.302 1.00 0.00 C ATOM 670 CG ASP A 131 4.264 -18.467 2.358 1.00 0.00 C ATOM 671 OD1 ASP A 131 5.084 -17.802 1.692 1.00 0.00 O ATOM 672 OD2 ASP A 131 4.588 -19.443 3.067 1.00 0.00 O ATOM 0 H ASP A 131 0.472 -17.684 2.996 1.00 0.00 H new ATOM 0 HA ASP A 131 2.900 -17.334 4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 131 2.183 -18.961 2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.576 -17.660 1.318 1.00 0.00 H new ATOM 677 N ASP A 132 2.385 -15.103 1.911 1.00 0.00 N ATOM 678 CA ASP A 132 2.804 -13.786 1.445 1.00 0.00 C ATOM 679 C ASP A 132 2.270 -12.683 2.356 1.00 0.00 C ATOM 680 O ASP A 132 2.829 -11.588 2.412 1.00 0.00 O ATOM 681 CB ASP A 132 2.325 -13.555 0.014 1.00 0.00 C ATOM 682 CG ASP A 132 2.848 -12.256 -0.568 1.00 0.00 C ATOM 683 OD1 ASP A 132 2.389 -11.181 -0.129 1.00 0.00 O ATOM 684 OD2 ASP A 132 3.718 -12.315 -1.463 1.00 0.00 O ATOM 0 H ASP A 132 1.644 -15.534 1.358 1.00 0.00 H new ATOM 0 HA ASP A 132 3.893 -13.752 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.647 -14.387 -0.613 1.00 0.00 H new ATOM 0 HB3 ASP A 132 1.235 -13.546 -0.004 1.00 0.00 H new ATOM 689 N ILE A 133 1.187 -12.978 3.068 1.00 0.00 N ATOM 690 CA ILE A 133 0.582 -12.010 3.974 1.00 0.00 C ATOM 691 C ILE A 133 1.513 -11.696 5.141 1.00 0.00 C ATOM 692 O ILE A 133 1.752 -10.532 5.464 1.00 0.00 O ATOM 693 CB ILE A 133 -0.760 -12.524 4.531 1.00 0.00 C ATOM 694 CG1 ILE A 133 -1.668 -13.005 3.391 1.00 0.00 C ATOM 695 CG2 ILE A 133 -1.441 -11.441 5.355 1.00 0.00 C ATOM 696 CD1 ILE A 133 -2.508 -11.913 2.762 1.00 0.00 C ATOM 0 H ILE A 133 0.711 -13.880 3.035 1.00 0.00 H new ATOM 0 HA ILE A 133 0.405 -11.103 3.396 1.00 0.00 H new ATOM 0 HB ILE A 133 -0.564 -13.374 5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -1.050 -13.463 2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -2.330 -13.783 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -2.387 -11.819 5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -0.796 -11.158 6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -1.628 -10.570 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -3.120 -12.338 1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -3.154 -11.469 3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -1.855 -11.145 2.347 1.00 0.00 H new ATOM 708 N GLU A 134 2.032 -12.744 5.771 1.00 0.00 N ATOM 709 CA GLU A 134 2.934 -12.589 6.907 1.00 0.00 C ATOM 710 C GLU A 134 4.269 -11.986 6.477 1.00 0.00 C ATOM 711 O GLU A 134 4.962 -11.358 7.277 1.00 0.00 O ATOM 712 CB GLU A 134 3.166 -13.942 7.583 1.00 0.00 C ATOM 713 CG GLU A 134 2.262 -14.186 8.780 1.00 0.00 C ATOM 714 CD GLU A 134 2.789 -13.547 10.050 1.00 0.00 C ATOM 715 OE1 GLU A 134 3.997 -13.695 10.331 1.00 0.00 O ATOM 716 OE2 GLU A 134 1.994 -12.898 10.762 1.00 0.00 O ATOM 0 H GLU A 134 1.843 -13.713 5.514 1.00 0.00 H new ATOM 0 HA GLU A 134 2.466 -11.906 7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.010 -14.736 6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 134 4.206 -14.005 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.268 -13.793 8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.154 -15.259 8.936 1.00 0.00 H new ATOM 723 N GLU A 135 4.629 -12.186 5.213 1.00 0.00 N ATOM 724 CA GLU A 135 5.887 -11.666 4.687 1.00 0.00 C ATOM 725 C GLU A 135 5.748 -10.206 4.266 1.00 0.00 C ATOM 726 O GLU A 135 6.588 -9.372 4.603 1.00 0.00 O ATOM 727 CB GLU A 135 6.356 -12.510 3.501 1.00 0.00 C ATOM 728 CG GLU A 135 7.856 -12.756 3.485 1.00 0.00 C ATOM 729 CD GLU A 135 8.209 -14.225 3.622 1.00 0.00 C ATOM 730 OE1 GLU A 135 7.675 -14.881 4.541 1.00 0.00 O ATOM 731 OE2 GLU A 135 9.020 -14.719 2.811 1.00 0.00 O ATOM 0 H GLU A 135 4.069 -12.703 4.535 1.00 0.00 H new ATOM 0 HA GLU A 135 6.631 -11.722 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.839 -13.469 3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 135 6.068 -12.012 2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 135 8.273 -12.371 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 135 8.321 -12.197 4.298 1.00 0.00 H new ATOM 738 N LEU A 136 4.688 -9.903 3.526 1.00 0.00 N ATOM 739 CA LEU A 136 4.451 -8.541 3.061 1.00 0.00 C ATOM 740 C LEU A 136 4.264 -7.590 4.237 1.00 0.00 C ATOM 741 O LEU A 136 4.852 -6.509 4.277 1.00 0.00 O ATOM 742 CB LEU A 136 3.221 -8.493 2.151 1.00 0.00 C ATOM 743 CG LEU A 136 2.864 -7.103 1.615 1.00 0.00 C ATOM 744 CD1 LEU A 136 4.123 -6.337 1.243 1.00 0.00 C ATOM 745 CD2 LEU A 136 1.935 -7.218 0.417 1.00 0.00 C ATOM 0 H LEU A 136 3.981 -10.579 3.236 1.00 0.00 H new ATOM 0 HA LEU A 136 5.325 -8.222 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 136 3.388 -9.160 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.365 -8.884 2.701 1.00 0.00 H new ATOM 0 HG LEU A 136 2.346 -6.552 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 136 3.851 -5.352 0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.755 -6.225 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 136 4.668 -6.884 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 136 1.691 -6.222 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.427 -7.786 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 136 1.019 -7.729 0.714 1.00 0.00 H new ATOM 757 N MET A 137 3.441 -8.005 5.192 1.00 0.00 N ATOM 758 CA MET A 137 3.162 -7.201 6.382 1.00 0.00 C ATOM 759 C MET A 137 4.442 -6.600 6.958 1.00 0.00 C ATOM 760 O MET A 137 4.421 -5.518 7.545 1.00 0.00 O ATOM 761 CB MET A 137 2.465 -8.054 7.444 1.00 0.00 C ATOM 762 CG MET A 137 2.088 -7.279 8.696 1.00 0.00 C ATOM 763 SD MET A 137 0.411 -6.622 8.626 1.00 0.00 S ATOM 764 CE MET A 137 0.737 -4.861 8.624 1.00 0.00 C ATOM 0 H MET A 137 2.951 -8.899 5.168 1.00 0.00 H new ATOM 0 HA MET A 137 2.505 -6.383 6.086 1.00 0.00 H new ATOM 0 HB2 MET A 137 1.565 -8.492 7.013 1.00 0.00 H new ATOM 0 HB3 MET A 137 3.120 -8.880 7.722 1.00 0.00 H new ATOM 0 HG2 MET A 137 2.183 -7.931 9.565 1.00 0.00 H new ATOM 0 HG3 MET A 137 2.791 -6.457 8.836 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.032 -4.349 8.045 1.00 0.00 H new ATOM 0 HE2 MET A 137 0.729 -4.488 9.648 1.00 0.00 H new ATOM 0 HE3 MET A 137 1.713 -4.672 8.177 1.00 0.00 H new ATOM 774 N LYS A 138 5.556 -7.306 6.783 1.00 0.00 N ATOM 775 CA LYS A 138 6.844 -6.836 7.284 1.00 0.00 C ATOM 776 C LYS A 138 7.150 -5.433 6.765 1.00 0.00 C ATOM 777 O LYS A 138 7.846 -4.656 7.420 1.00 0.00 O ATOM 778 CB LYS A 138 7.958 -7.799 6.868 1.00 0.00 C ATOM 779 CG LYS A 138 9.101 -7.873 7.868 1.00 0.00 C ATOM 780 CD LYS A 138 9.287 -9.284 8.405 1.00 0.00 C ATOM 781 CE LYS A 138 10.696 -9.499 8.931 1.00 0.00 C ATOM 782 NZ LYS A 138 11.027 -8.558 10.035 1.00 0.00 N ATOM 0 H LYS A 138 5.593 -8.203 6.299 1.00 0.00 H new ATOM 0 HA LYS A 138 6.791 -6.799 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 138 7.536 -8.795 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 138 8.352 -7.490 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 138 10.023 -7.540 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 138 8.905 -7.191 8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 138 8.568 -9.468 9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.079 -10.005 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 138 10.798 -10.525 9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 138 11.410 -9.370 8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 11.963 -8.793 10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 11.037 -7.584 9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 10.312 -8.638 10.786 1.00 0.00 H new ATOM 796 N ASP A 139 6.623 -5.116 5.586 1.00 0.00 N ATOM 797 CA ASP A 139 6.836 -3.807 4.979 1.00 0.00 C ATOM 798 C ASP A 139 5.988 -2.743 5.669 1.00 0.00 C ATOM 799 O ASP A 139 6.500 -1.707 6.094 1.00 0.00 O ATOM 800 CB ASP A 139 6.500 -3.854 3.488 1.00 0.00 C ATOM 801 CG ASP A 139 7.004 -2.634 2.743 1.00 0.00 C ATOM 802 OD1 ASP A 139 8.082 -2.118 3.108 1.00 0.00 O ATOM 803 OD2 ASP A 139 6.322 -2.193 1.794 1.00 0.00 O ATOM 0 H ASP A 139 6.045 -5.748 5.032 1.00 0.00 H new ATOM 0 HA ASP A 139 7.887 -3.544 5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.936 -4.751 3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 139 5.420 -3.931 3.364 1.00 0.00 H new ATOM 808 N GLY A 140 4.689 -3.005 5.778 1.00 0.00 N ATOM 809 CA GLY A 140 3.794 -2.060 6.418 1.00 0.00 C ATOM 810 C GLY A 140 4.191 -1.771 7.852 1.00 0.00 C ATOM 811 O GLY A 140 4.581 -0.651 8.182 1.00 0.00 O ATOM 0 H GLY A 140 4.241 -3.855 5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 140 3.786 -1.129 5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 140 2.778 -2.454 6.397 1.00 0.00 H new ATOM 815 N ASP A 141 4.090 -2.783 8.704 1.00 0.00 N ATOM 816 CA ASP A 141 4.441 -2.635 10.111 1.00 0.00 C ATOM 817 C ASP A 141 5.937 -2.845 10.323 1.00 0.00 C ATOM 818 O ASP A 141 6.411 -3.979 10.393 1.00 0.00 O ATOM 819 CB ASP A 141 3.644 -3.628 10.960 1.00 0.00 C ATOM 820 CG ASP A 141 3.948 -3.499 12.440 1.00 0.00 C ATOM 821 OD1 ASP A 141 3.765 -2.393 12.989 1.00 0.00 O ATOM 822 OD2 ASP A 141 4.368 -4.505 13.049 1.00 0.00 O ATOM 0 H ASP A 141 3.768 -3.716 8.445 1.00 0.00 H new ATOM 0 HA ASP A 141 4.191 -1.620 10.421 1.00 0.00 H new ATOM 0 HB2 ASP A 141 2.578 -3.469 10.796 1.00 0.00 H new ATOM 0 HB3 ASP A 141 3.869 -4.643 10.633 1.00 0.00 H new ATOM 827 N LYS A 142 6.675 -1.744 10.424 1.00 0.00 N ATOM 828 CA LYS A 142 8.118 -1.805 10.627 1.00 0.00 C ATOM 829 C LYS A 142 8.516 -1.104 11.921 1.00 0.00 C ATOM 830 O LYS A 142 9.586 -0.501 12.009 1.00 0.00 O ATOM 831 CB LYS A 142 8.846 -1.165 9.445 1.00 0.00 C ATOM 832 CG LYS A 142 8.927 -2.062 8.221 1.00 0.00 C ATOM 833 CD LYS A 142 9.932 -1.535 7.211 1.00 0.00 C ATOM 834 CE LYS A 142 11.361 -1.768 7.673 1.00 0.00 C ATOM 835 NZ LYS A 142 12.295 -1.946 6.527 1.00 0.00 N ATOM 0 H LYS A 142 6.297 -0.798 10.369 1.00 0.00 H new ATOM 0 HA LYS A 142 8.405 -2.854 10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 142 8.337 -0.240 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 142 9.856 -0.895 9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 142 9.209 -3.070 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 142 7.944 -2.133 7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.775 -2.025 6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.768 -0.469 7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.688 -0.924 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 142 11.397 -2.651 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 13.259 -2.102 6.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.998 -2.767 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 12.281 -1.093 5.932 1.00 0.00 H new ATOM 849 N ASN A 143 7.649 -1.188 12.924 1.00 0.00 N ATOM 850 CA ASN A 143 7.910 -0.563 14.216 1.00 0.00 C ATOM 851 C ASN A 143 7.973 -1.605 15.332 1.00 0.00 C ATOM 852 O ASN A 143 8.019 -1.258 16.512 1.00 0.00 O ATOM 853 CB ASN A 143 6.828 0.470 14.532 1.00 0.00 C ATOM 854 CG ASN A 143 7.161 1.843 13.981 1.00 0.00 C ATOM 855 OD1 ASN A 143 8.328 2.229 13.909 1.00 0.00 O ATOM 856 ND2 ASN A 143 6.135 2.588 13.588 1.00 0.00 N ATOM 0 H ASN A 143 6.759 -1.683 12.867 1.00 0.00 H new ATOM 0 HA ASN A 143 8.878 -0.065 14.157 1.00 0.00 H new ATOM 0 HB2 ASN A 143 5.878 0.135 14.116 1.00 0.00 H new ATOM 0 HB3 ASN A 143 6.698 0.537 15.612 1.00 0.00 H new ATOM 0 HD21 ASN A 143 6.298 3.521 13.208 1.00 0.00 H new ATOM 0 HD22 ASN A 143 5.184 2.228 13.666 1.00 0.00 H new ATOM 863 N ASN A 144 7.978 -2.882 14.955 1.00 0.00 N ATOM 864 CA ASN A 144 8.038 -3.965 15.929 1.00 0.00 C ATOM 865 C ASN A 144 6.858 -3.896 16.895 1.00 0.00 C ATOM 866 O ASN A 144 7.021 -3.583 18.075 1.00 0.00 O ATOM 867 CB ASN A 144 9.359 -3.906 16.700 1.00 0.00 C ATOM 868 CG ASN A 144 10.024 -5.264 16.813 1.00 0.00 C ATOM 869 OD1 ASN A 144 11.241 -5.386 16.679 1.00 0.00 O ATOM 870 ND2 ASN A 144 9.225 -6.296 17.060 1.00 0.00 N ATOM 0 H ASN A 144 7.941 -3.190 13.983 1.00 0.00 H new ATOM 0 HA ASN A 144 7.982 -4.912 15.392 1.00 0.00 H new ATOM 0 HB2 ASN A 144 10.037 -3.213 16.201 1.00 0.00 H new ATOM 0 HB3 ASN A 144 9.176 -3.510 17.699 1.00 0.00 H new ATOM 0 HD21 ASN A 144 9.616 -7.234 17.146 1.00 0.00 H new ATOM 0 HD22 ASN A 144 8.221 -6.150 17.164 1.00 0.00 H new ATOM 877 N ASP A 145 5.666 -4.190 16.385 1.00 0.00 N ATOM 878 CA ASP A 145 4.457 -4.163 17.200 1.00 0.00 C ATOM 879 C ASP A 145 3.385 -5.074 16.611 1.00 0.00 C ATOM 880 O ASP A 145 2.766 -5.863 17.324 1.00 0.00 O ATOM 881 CB ASP A 145 3.924 -2.733 17.310 1.00 0.00 C ATOM 882 CG ASP A 145 3.744 -2.077 15.955 1.00 0.00 C ATOM 883 OD1 ASP A 145 4.737 -1.540 15.419 1.00 0.00 O ATOM 884 OD2 ASP A 145 2.611 -2.099 15.430 1.00 0.00 O ATOM 0 H ASP A 145 5.512 -4.450 15.411 1.00 0.00 H new ATOM 0 HA ASP A 145 4.710 -4.527 18.196 1.00 0.00 H new ATOM 0 HB2 ASP A 145 2.969 -2.744 17.835 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.611 -2.137 17.911 1.00 0.00 H new ATOM 889 N GLY A 146 3.171 -4.959 15.304 1.00 0.00 N ATOM 890 CA GLY A 146 2.175 -5.778 14.640 1.00 0.00 C ATOM 891 C GLY A 146 0.989 -4.971 14.147 1.00 0.00 C ATOM 892 O GLY A 146 -0.105 -5.507 13.972 1.00 0.00 O ATOM 0 H GLY A 146 3.670 -4.313 14.693 1.00 0.00 H new ATOM 0 HA2 GLY A 146 2.636 -6.291 13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 146 1.825 -6.547 15.328 1.00 0.00 H new ATOM 896 N ARG A 147 1.204 -3.678 13.924 1.00 0.00 N ATOM 897 CA ARG A 147 0.142 -2.798 13.449 1.00 0.00 C ATOM 898 C ARG A 147 0.710 -1.667 12.597 1.00 0.00 C ATOM 899 O ARG A 147 1.688 -1.022 12.975 1.00 0.00 O ATOM 900 CB ARG A 147 -0.636 -2.219 14.632 1.00 0.00 C ATOM 901 CG ARG A 147 -1.411 -3.262 15.420 1.00 0.00 C ATOM 902 CD ARG A 147 -2.153 -2.639 16.592 1.00 0.00 C ATOM 903 NE ARG A 147 -1.513 -2.944 17.870 1.00 0.00 N ATOM 904 CZ ARG A 147 -1.653 -4.101 18.512 1.00 0.00 C ATOM 905 NH1 ARG A 147 -2.409 -5.065 18.000 1.00 0.00 N ATOM 906 NH2 ARG A 147 -1.036 -4.295 19.670 1.00 0.00 N ATOM 0 H ARG A 147 2.103 -3.217 14.064 1.00 0.00 H new ATOM 0 HA ARG A 147 -0.534 -3.388 12.831 1.00 0.00 H new ATOM 0 HB2 ARG A 147 0.060 -1.713 15.301 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -1.330 -1.463 14.264 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -2.122 -3.762 14.762 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.725 -4.026 15.787 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -2.199 -1.558 16.459 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -3.180 -3.003 16.605 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.924 -2.228 18.295 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.886 -4.921 17.110 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.513 -5.950 18.497 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.455 -3.557 20.068 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.143 -5.182 20.163 1.00 0.00 H new ATOM 920 N ILE A 148 0.087 -1.431 11.447 1.00 0.00 N ATOM 921 CA ILE A 148 0.524 -0.378 10.540 1.00 0.00 C ATOM 922 C ILE A 148 -0.555 0.695 10.404 1.00 0.00 C ATOM 923 O ILE A 148 -1.725 0.382 10.196 1.00 0.00 O ATOM 924 CB ILE A 148 0.884 -0.959 9.154 1.00 0.00 C ATOM 925 CG1 ILE A 148 1.749 0.024 8.365 1.00 0.00 C ATOM 926 CG2 ILE A 148 -0.363 -1.330 8.369 1.00 0.00 C ATOM 927 CD1 ILE A 148 0.998 1.241 7.878 1.00 0.00 C ATOM 0 H ILE A 148 -0.724 -1.957 11.121 1.00 0.00 H new ATOM 0 HA ILE A 148 1.419 0.081 10.960 1.00 0.00 H new ATOM 0 HB ILE A 148 1.458 -1.871 9.314 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.579 0.348 8.993 1.00 0.00 H new ATOM 0 HG13 ILE A 148 2.180 -0.493 7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -0.075 -1.736 7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -0.931 -2.079 8.921 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.978 -0.442 8.223 1.00 0.00 H new ATOM 0 HD11 ILE A 148 1.677 1.891 7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.184 0.929 7.224 1.00 0.00 H new ATOM 0 HD13 ILE A 148 0.590 1.782 8.731 1.00 0.00 H new ATOM 939 N ASP A 149 -0.159 1.958 10.544 1.00 0.00 N ATOM 940 CA ASP A 149 -1.107 3.067 10.461 1.00 0.00 C ATOM 941 C ASP A 149 -0.821 3.975 9.265 1.00 0.00 C ATOM 942 O ASP A 149 0.256 3.924 8.674 1.00 0.00 O ATOM 943 CB ASP A 149 -1.061 3.886 11.754 1.00 0.00 C ATOM 944 CG ASP A 149 -2.168 4.920 11.830 1.00 0.00 C ATOM 945 OD1 ASP A 149 -3.352 4.524 11.829 1.00 0.00 O ATOM 946 OD2 ASP A 149 -1.849 6.126 11.891 1.00 0.00 O ATOM 0 H ASP A 149 0.807 2.238 10.715 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.101 2.642 10.325 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -1.138 3.214 12.608 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -0.096 4.387 11.828 1.00 0.00 H new ATOM 951 N TYR A 150 -1.811 4.803 8.924 1.00 0.00 N ATOM 952 CA TYR A 150 -1.714 5.744 7.803 1.00 0.00 C ATOM 953 C TYR A 150 -0.290 6.263 7.606 1.00 0.00 C ATOM 954 O TYR A 150 0.167 6.432 6.475 1.00 0.00 O ATOM 955 CB TYR A 150 -2.669 6.919 8.034 1.00 0.00 C ATOM 956 CG TYR A 150 -2.658 7.956 6.931 1.00 0.00 C ATOM 957 CD1 TYR A 150 -2.457 7.592 5.606 1.00 0.00 C ATOM 958 CD2 TYR A 150 -2.856 9.300 7.218 1.00 0.00 C ATOM 959 CE1 TYR A 150 -2.451 8.538 4.599 1.00 0.00 C ATOM 960 CE2 TYR A 150 -2.851 10.253 6.217 1.00 0.00 C ATOM 961 CZ TYR A 150 -2.648 9.867 4.910 1.00 0.00 C ATOM 962 OH TYR A 150 -2.644 10.812 3.910 1.00 0.00 O ATOM 0 H TYR A 150 -2.703 4.841 9.417 1.00 0.00 H new ATOM 0 HA TYR A 150 -1.993 5.207 6.896 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -3.682 6.533 8.143 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -2.409 7.404 8.975 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -2.303 6.552 5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -3.017 9.606 8.241 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -2.293 8.238 3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -3.005 11.294 6.458 1.00 0.00 H new ATOM 0 HH TYR A 150 -2.200 10.447 3.116 1.00 0.00 H new ATOM 972 N ASP A 151 0.408 6.512 8.709 1.00 0.00 N ATOM 973 CA ASP A 151 1.779 7.009 8.647 1.00 0.00 C ATOM 974 C ASP A 151 2.681 6.016 7.920 1.00 0.00 C ATOM 975 O ASP A 151 3.196 6.306 6.840 1.00 0.00 O ATOM 976 CB ASP A 151 2.314 7.273 10.057 1.00 0.00 C ATOM 977 CG ASP A 151 2.879 8.672 10.208 1.00 0.00 C ATOM 978 OD1 ASP A 151 2.083 9.617 10.392 1.00 0.00 O ATOM 979 OD2 ASP A 151 4.117 8.822 10.143 1.00 0.00 O ATOM 0 H ASP A 151 0.049 6.379 9.654 1.00 0.00 H new ATOM 0 HA ASP A 151 1.778 7.946 8.090 1.00 0.00 H new ATOM 0 HB2 ASP A 151 1.511 7.128 10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 151 3.089 6.544 10.291 1.00 0.00 H new ATOM 984 N GLU A 152 2.863 4.842 8.516 1.00 0.00 N ATOM 985 CA GLU A 152 3.699 3.806 7.921 1.00 0.00 C ATOM 986 C GLU A 152 3.133 3.357 6.577 1.00 0.00 C ATOM 987 O GLU A 152 3.865 2.871 5.715 1.00 0.00 O ATOM 988 CB GLU A 152 3.815 2.608 8.867 1.00 0.00 C ATOM 989 CG GLU A 152 5.050 2.649 9.752 1.00 0.00 C ATOM 990 CD GLU A 152 4.859 1.897 11.054 1.00 0.00 C ATOM 991 OE1 GLU A 152 4.139 2.409 11.936 1.00 0.00 O ATOM 992 OE2 GLU A 152 5.431 0.795 11.193 1.00 0.00 O ATOM 0 H GLU A 152 2.443 4.585 9.409 1.00 0.00 H new ATOM 0 HA GLU A 152 4.692 4.225 7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 152 2.927 2.567 9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 152 3.830 1.691 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 152 5.895 2.222 9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 152 5.302 3.687 9.970 1.00 0.00 H new ATOM 999 N PHE A 153 1.824 3.525 6.404 1.00 0.00 N ATOM 1000 CA PHE A 153 1.159 3.140 5.164 1.00 0.00 C ATOM 1001 C PHE A 153 1.784 3.857 3.972 1.00 0.00 C ATOM 1002 O PHE A 153 1.982 3.265 2.911 1.00 0.00 O ATOM 1003 CB PHE A 153 -0.341 3.451 5.251 1.00 0.00 C ATOM 1004 CG PHE A 153 -1.061 3.396 3.930 1.00 0.00 C ATOM 1005 CD1 PHE A 153 -0.653 2.521 2.937 1.00 0.00 C ATOM 1006 CD2 PHE A 153 -2.144 4.223 3.685 1.00 0.00 C ATOM 1007 CE1 PHE A 153 -1.311 2.474 1.724 1.00 0.00 C ATOM 1008 CE2 PHE A 153 -2.807 4.179 2.474 1.00 0.00 C ATOM 1009 CZ PHE A 153 -2.390 3.303 1.492 1.00 0.00 C ATOM 0 H PHE A 153 1.204 3.925 7.108 1.00 0.00 H new ATOM 0 HA PHE A 153 1.287 2.067 5.021 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.808 2.744 5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 153 -0.470 4.444 5.681 1.00 0.00 H new ATOM 0 HD1 PHE A 153 0.189 1.868 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -2.474 4.911 4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -0.982 1.789 0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -3.651 4.829 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 153 -2.907 3.266 0.544 1.00 0.00 H new ATOM 1019 N LEU A 154 2.095 5.133 4.154 1.00 0.00 N ATOM 1020 CA LEU A 154 2.700 5.927 3.094 1.00 0.00 C ATOM 1021 C LEU A 154 4.058 5.357 2.690 1.00 0.00 C ATOM 1022 O LEU A 154 4.565 5.649 1.606 1.00 0.00 O ATOM 1023 CB LEU A 154 2.838 7.384 3.543 1.00 0.00 C ATOM 1024 CG LEU A 154 1.567 8.009 4.129 1.00 0.00 C ATOM 1025 CD1 LEU A 154 1.642 9.527 4.063 1.00 0.00 C ATOM 1026 CD2 LEU A 154 0.324 7.504 3.402 1.00 0.00 C ATOM 0 H LEU A 154 1.938 5.640 5.025 1.00 0.00 H new ATOM 0 HA LEU A 154 2.049 5.889 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.631 7.444 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.158 7.982 2.689 1.00 0.00 H new ATOM 0 HG LEU A 154 1.493 7.709 5.174 1.00 0.00 H new ATOM 0 HD11 LEU A 154 0.732 9.955 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 154 2.503 9.874 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.745 9.841 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 154 -0.564 7.963 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 154 0.388 7.767 2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 154 0.259 6.421 3.502 1.00 0.00 H new ATOM 1038 N GLU A 155 4.638 4.531 3.559 1.00 0.00 N ATOM 1039 CA GLU A 155 5.928 3.912 3.279 1.00 0.00 C ATOM 1040 C GLU A 155 5.779 2.787 2.255 1.00 0.00 C ATOM 1041 O GLU A 155 6.757 2.357 1.643 1.00 0.00 O ATOM 1042 CB GLU A 155 6.546 3.367 4.568 1.00 0.00 C ATOM 1043 CG GLU A 155 8.064 3.449 4.597 1.00 0.00 C ATOM 1044 CD GLU A 155 8.725 2.222 4.000 1.00 0.00 C ATOM 1045 OE1 GLU A 155 8.328 1.096 4.367 1.00 0.00 O ATOM 1046 OE2 GLU A 155 9.640 2.387 3.166 1.00 0.00 O ATOM 0 H GLU A 155 4.234 4.277 4.461 1.00 0.00 H new ATOM 0 HA GLU A 155 6.588 4.674 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 155 6.144 3.921 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 155 6.244 2.327 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 155 8.387 4.334 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 155 8.398 3.572 5.627 1.00 0.00 H new ATOM 1053 N PHE A 156 4.547 2.315 2.073 1.00 0.00 N ATOM 1054 CA PHE A 156 4.267 1.245 1.122 1.00 0.00 C ATOM 1055 C PHE A 156 4.472 1.729 -0.310 1.00 0.00 C ATOM 1056 O PHE A 156 5.295 1.189 -1.049 1.00 0.00 O ATOM 1057 CB PHE A 156 2.831 0.744 1.304 1.00 0.00 C ATOM 1058 CG PHE A 156 2.721 -0.744 1.478 1.00 0.00 C ATOM 1059 CD1 PHE A 156 3.099 -1.347 2.667 1.00 0.00 C ATOM 1060 CD2 PHE A 156 2.232 -1.538 0.454 1.00 0.00 C ATOM 1061 CE1 PHE A 156 2.991 -2.715 2.831 1.00 0.00 C ATOM 1062 CE2 PHE A 156 2.123 -2.907 0.612 1.00 0.00 C ATOM 1063 CZ PHE A 156 2.502 -3.495 1.802 1.00 0.00 C ATOM 0 H PHE A 156 3.727 2.658 2.573 1.00 0.00 H new ATOM 0 HA PHE A 156 4.959 0.425 1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 156 2.393 1.235 2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 156 2.240 1.043 0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 156 3.482 -0.741 3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 156 1.932 -1.083 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 156 3.289 -3.173 3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 156 1.742 -3.516 -0.195 1.00 0.00 H new ATOM 0 HZ PHE A 156 2.416 -4.564 1.928 1.00 0.00 H new ATOM 1073 N MET A 157 3.715 2.752 -0.694 1.00 0.00 N ATOM 1074 CA MET A 157 3.807 3.316 -2.037 1.00 0.00 C ATOM 1075 C MET A 157 5.237 3.741 -2.362 1.00 0.00 C ATOM 1076 O MET A 157 5.629 3.786 -3.527 1.00 0.00 O ATOM 1077 CB MET A 157 2.862 4.511 -2.177 1.00 0.00 C ATOM 1078 CG MET A 157 3.296 5.730 -1.375 1.00 0.00 C ATOM 1079 SD MET A 157 3.522 7.196 -2.402 1.00 0.00 S ATOM 1080 CE MET A 157 1.953 7.252 -3.263 1.00 0.00 C ATOM 0 H MET A 157 3.029 3.209 -0.093 1.00 0.00 H new ATOM 0 HA MET A 157 3.513 2.542 -2.745 1.00 0.00 H new ATOM 0 HB2 MET A 157 2.791 4.786 -3.229 1.00 0.00 H new ATOM 0 HB3 MET A 157 1.863 4.213 -1.857 1.00 0.00 H new ATOM 0 HG2 MET A 157 2.550 5.940 -0.609 1.00 0.00 H new ATOM 0 HG3 MET A 157 4.229 5.506 -0.858 1.00 0.00 H new ATOM 0 HE1 MET A 157 1.643 8.290 -3.387 1.00 0.00 H new ATOM 0 HE2 MET A 157 2.059 6.786 -4.242 1.00 0.00 H new ATOM 0 HE3 MET A 157 1.201 6.715 -2.685 1.00 0.00 H new ATOM 1090 N LYS A 158 6.013 4.054 -1.326 1.00 0.00 N ATOM 1091 CA LYS A 158 7.400 4.476 -1.508 1.00 0.00 C ATOM 1092 C LYS A 158 8.140 3.528 -2.449 1.00 0.00 C ATOM 1093 O LYS A 158 9.065 3.933 -3.153 1.00 0.00 O ATOM 1094 CB LYS A 158 8.117 4.546 -0.158 1.00 0.00 C ATOM 1095 CG LYS A 158 8.537 5.953 0.233 1.00 0.00 C ATOM 1096 CD LYS A 158 9.877 5.956 0.951 1.00 0.00 C ATOM 1097 CE LYS A 158 10.722 7.154 0.549 1.00 0.00 C ATOM 1098 NZ LYS A 158 12.162 6.800 0.417 1.00 0.00 N ATOM 0 H LYS A 158 5.706 4.023 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 158 7.395 5.469 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 158 7.461 4.143 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 158 9.000 3.908 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 158 8.600 6.576 -0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 158 7.777 6.395 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 158 9.713 5.970 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 158 10.416 5.036 0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 158 10.358 7.553 -0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 158 10.609 7.943 1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 12.703 7.644 0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 12.517 6.443 1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 12.274 6.065 -0.310 1.00 0.00 H new ATOM 1112 N GLY A 159 7.719 2.267 -2.460 1.00 0.00 N ATOM 1113 CA GLY A 159 8.347 1.287 -3.324 1.00 0.00 C ATOM 1114 C GLY A 159 8.003 1.512 -4.782 1.00 0.00 C ATOM 1115 O GLY A 159 8.802 1.214 -5.671 1.00 0.00 O ATOM 0 H GLY A 159 6.956 1.908 -1.887 1.00 0.00 H new ATOM 0 HA2 GLY A 159 9.429 1.331 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 159 8.031 0.287 -3.027 1.00 0.00 H new ATOM 1119 N VAL A 160 6.811 2.047 -5.026 1.00 0.00 N ATOM 1120 CA VAL A 160 6.355 2.322 -6.381 1.00 0.00 C ATOM 1121 C VAL A 160 7.330 3.239 -7.114 1.00 0.00 C ATOM 1122 O VAL A 160 7.454 3.180 -8.337 1.00 0.00 O ATOM 1123 CB VAL A 160 4.957 2.971 -6.372 1.00 0.00 C ATOM 1124 CG1 VAL A 160 4.462 3.207 -7.790 1.00 0.00 C ATOM 1125 CG2 VAL A 160 3.972 2.111 -5.591 1.00 0.00 C ATOM 0 H VAL A 160 6.142 2.299 -4.299 1.00 0.00 H new ATOM 0 HA VAL A 160 6.303 1.367 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 160 5.033 3.939 -5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 160 3.474 3.666 -7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 160 5.153 3.869 -8.311 1.00 0.00 H new ATOM 0 HG13 VAL A 160 4.404 2.255 -8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.991 2.586 -5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 160 3.901 1.127 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 160 4.318 2.004 -4.563 1.00 0.00 H new ATOM 1135 N GLU A 161 8.020 4.087 -6.357 1.00 0.00 N ATOM 1136 CA GLU A 161 8.984 5.016 -6.935 1.00 0.00 C ATOM 1137 C GLU A 161 10.203 4.273 -7.472 1.00 0.00 C ATOM 1138 O GLU A 161 11.221 4.937 -7.759 1.00 0.00 O ATOM 1139 CB GLU A 161 9.420 6.046 -5.891 1.00 0.00 C ATOM 1140 CG GLU A 161 8.264 6.821 -5.281 1.00 0.00 C ATOM 1141 CD GLU A 161 8.606 8.277 -5.032 1.00 0.00 C ATOM 1142 OE1 GLU A 161 9.559 8.541 -4.268 1.00 0.00 O ATOM 1143 OE2 GLU A 161 7.921 9.153 -5.600 1.00 0.00 O ATOM 1144 OXT GLU A 161 10.129 3.033 -7.600 1.00 0.00 O ATOM 0 H GLU A 161 7.929 4.150 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 161 8.501 5.531 -7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 161 9.965 5.537 -5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 161 10.114 6.748 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 161 7.402 6.762 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 161 7.974 6.353 -4.340 1.00 0.00 H new ATOM 1226 N PHE B 132 4.473 -6.337 -6.659 1.00 0.00 N ATOM 1227 CA PHE B 132 3.661 -6.786 -7.783 1.00 0.00 C ATOM 1228 C PHE B 132 2.566 -5.758 -8.106 1.00 0.00 C ATOM 1229 O PHE B 132 2.875 -4.627 -8.482 1.00 0.00 O ATOM 1230 CB PHE B 132 3.071 -8.176 -7.492 1.00 0.00 C ATOM 1231 CG PHE B 132 2.600 -8.367 -6.073 1.00 0.00 C ATOM 1232 CD1 PHE B 132 3.499 -8.340 -5.018 1.00 0.00 C ATOM 1233 CD2 PHE B 132 1.258 -8.581 -5.796 1.00 0.00 C ATOM 1234 CE1 PHE B 132 3.070 -8.521 -3.717 1.00 0.00 C ATOM 1235 CE2 PHE B 132 0.824 -8.763 -4.496 1.00 0.00 C ATOM 1236 CZ PHE B 132 1.731 -8.732 -3.456 1.00 0.00 C ATOM 0 HA PHE B 132 4.295 -6.872 -8.665 1.00 0.00 H new ATOM 0 HB2 PHE B 132 2.233 -8.350 -8.167 1.00 0.00 H new ATOM 0 HB3 PHE B 132 3.824 -8.931 -7.717 1.00 0.00 H new ATOM 0 HD1 PHE B 132 4.548 -8.175 -5.215 1.00 0.00 H new ATOM 0 HD2 PHE B 132 0.543 -8.606 -6.605 1.00 0.00 H new ATOM 0 HE1 PHE B 132 3.782 -8.497 -2.905 1.00 0.00 H new ATOM 0 HE2 PHE B 132 -0.224 -8.929 -4.294 1.00 0.00 H new ATOM 0 HZ PHE B 132 1.394 -8.873 -2.440 1.00 0.00 H new ATOM 1246 N ASP B 133 1.295 -6.136 -7.959 1.00 0.00 N ATOM 1247 CA ASP B 133 0.195 -5.221 -8.239 1.00 0.00 C ATOM 1248 C ASP B 133 0.185 -4.059 -7.247 1.00 0.00 C ATOM 1249 O ASP B 133 -0.491 -3.053 -7.463 1.00 0.00 O ATOM 1250 CB ASP B 133 -1.141 -5.964 -8.186 1.00 0.00 C ATOM 1251 CG ASP B 133 -2.109 -5.489 -9.252 1.00 0.00 C ATOM 1252 OD1 ASP B 133 -2.505 -4.305 -9.209 1.00 0.00 O ATOM 1253 OD2 ASP B 133 -2.470 -6.301 -10.130 1.00 0.00 O ATOM 0 H ASP B 133 1.006 -7.064 -7.650 1.00 0.00 H new ATOM 0 HA ASP B 133 0.339 -4.817 -9.241 1.00 0.00 H new ATOM 0 HB2 ASP B 133 -0.965 -7.033 -8.309 1.00 0.00 H new ATOM 0 HB3 ASP B 133 -1.591 -5.827 -7.203 1.00 0.00 H new ATOM 1258 N LEU B 134 0.938 -4.205 -6.161 1.00 0.00 N ATOM 1259 CA LEU B 134 1.019 -3.171 -5.137 1.00 0.00 C ATOM 1260 C LEU B 134 1.538 -1.865 -5.727 1.00 0.00 C ATOM 1261 O LEU B 134 1.058 -0.784 -5.389 1.00 0.00 O ATOM 1262 CB LEU B 134 1.934 -3.627 -4.000 1.00 0.00 C ATOM 1263 CG LEU B 134 1.336 -4.678 -3.061 1.00 0.00 C ATOM 1264 CD1 LEU B 134 0.779 -5.851 -3.853 1.00 0.00 C ATOM 1265 CD2 LEU B 134 2.383 -5.157 -2.066 1.00 0.00 C ATOM 0 H LEU B 134 1.502 -5.033 -5.968 1.00 0.00 H new ATOM 0 HA LEU B 134 0.017 -3.000 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU B 134 2.850 -4.029 -4.432 1.00 0.00 H new ATOM 0 HB3 LEU B 134 2.216 -2.755 -3.410 1.00 0.00 H new ATOM 0 HG LEU B 134 0.516 -4.218 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU B 134 0.359 -6.586 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU B 134 -0.001 -5.497 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU B 134 1.579 -6.311 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU B 134 1.942 -5.904 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU B 134 3.222 -5.598 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU B 134 2.736 -4.312 -1.474 1.00 0.00 H new ATOM 1277 N ARG B 135 2.526 -1.976 -6.608 1.00 0.00 N ATOM 1278 CA ARG B 135 3.117 -0.806 -7.247 1.00 0.00 C ATOM 1279 C ARG B 135 2.096 -0.087 -8.124 1.00 0.00 C ATOM 1280 O ARG B 135 1.961 1.134 -8.061 1.00 0.00 O ATOM 1281 CB ARG B 135 4.330 -1.219 -8.084 1.00 0.00 C ATOM 1282 CG ARG B 135 4.943 -0.080 -8.882 1.00 0.00 C ATOM 1283 CD ARG B 135 6.347 -0.421 -9.353 1.00 0.00 C ATOM 1284 NE ARG B 135 6.350 -0.988 -10.699 1.00 0.00 N ATOM 1285 CZ ARG B 135 7.419 -1.539 -11.270 1.00 0.00 C ATOM 1286 NH1 ARG B 135 8.572 -1.600 -10.615 1.00 0.00 N ATOM 1287 NH2 ARG B 135 7.335 -2.031 -12.498 1.00 0.00 N ATOM 0 H ARG B 135 2.935 -2.865 -6.896 1.00 0.00 H new ATOM 0 HA ARG B 135 3.439 -0.118 -6.465 1.00 0.00 H new ATOM 0 HB2 ARG B 135 5.090 -1.637 -7.424 1.00 0.00 H new ATOM 0 HB3 ARG B 135 4.033 -2.012 -8.770 1.00 0.00 H new ATOM 0 HG2 ARG B 135 4.313 0.142 -9.744 1.00 0.00 H new ATOM 0 HG3 ARG B 135 4.973 0.820 -8.268 1.00 0.00 H new ATOM 0 HD2 ARG B 135 6.963 0.478 -9.337 1.00 0.00 H new ATOM 0 HD3 ARG B 135 6.800 -1.130 -8.660 1.00 0.00 H new ATOM 0 HE ARG B 135 5.482 -0.960 -11.233 1.00 0.00 H new ATOM 0 HH11 ARG B 135 8.642 -1.224 -9.670 1.00 0.00 H new ATOM 0 HH12 ARG B 135 9.388 -2.023 -11.057 1.00 0.00 H new ATOM 0 HH21 ARG B 135 6.451 -1.987 -13.006 1.00 0.00 H new ATOM 0 HH22 ARG B 135 8.154 -2.453 -12.935 1.00 0.00 H new ATOM 1301 N GLY B 136 1.383 -0.851 -8.943 1.00 0.00 N ATOM 1302 CA GLY B 136 0.388 -0.265 -9.820 1.00 0.00 C ATOM 1303 C GLY B 136 -0.729 0.418 -9.056 1.00 0.00 C ATOM 1304 O GLY B 136 -1.049 0.030 -7.933 1.00 0.00 O ATOM 0 H GLY B 136 1.476 -1.864 -9.015 1.00 0.00 H new ATOM 0 HA2 GLY B 136 0.869 0.459 -10.478 1.00 0.00 H new ATOM 0 HA3 GLY B 136 -0.034 -1.043 -10.456 1.00 0.00 H new ATOM 1308 N LYS B 137 -1.322 1.440 -9.667 1.00 0.00 N ATOM 1309 CA LYS B 137 -2.409 2.181 -9.037 1.00 0.00 C ATOM 1310 C LYS B 137 -1.922 2.887 -7.775 1.00 0.00 C ATOM 1311 O LYS B 137 -2.669 3.039 -6.809 1.00 0.00 O ATOM 1312 CB LYS B 137 -3.568 1.243 -8.697 1.00 0.00 C ATOM 1313 CG LYS B 137 -3.907 0.266 -9.812 1.00 0.00 C ATOM 1314 CD LYS B 137 -5.408 0.067 -9.942 1.00 0.00 C ATOM 1315 CE LYS B 137 -5.897 -1.071 -9.060 1.00 0.00 C ATOM 1316 NZ LYS B 137 -6.513 -0.572 -7.799 1.00 0.00 N ATOM 0 H LYS B 137 -1.068 1.773 -10.597 1.00 0.00 H new ATOM 0 HA LYS B 137 -2.759 2.934 -9.743 1.00 0.00 H new ATOM 0 HB2 LYS B 137 -3.318 0.682 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS B 137 -4.451 1.839 -8.466 1.00 0.00 H new ATOM 0 HG2 LYS B 137 -3.505 0.635 -10.755 1.00 0.00 H new ATOM 0 HG3 LYS B 137 -3.428 -0.693 -9.615 1.00 0.00 H new ATOM 0 HD2 LYS B 137 -5.923 0.988 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS B 137 -5.660 -0.143 -10.982 1.00 0.00 H new ATOM 0 HE2 LYS B 137 -6.626 -1.668 -9.608 1.00 0.00 H new ATOM 0 HE3 LYS B 137 -5.062 -1.729 -8.820 1.00 0.00 H new ATOM 0 HZ1 LYS B 137 -6.833 -1.379 -7.226 1.00 0.00 H new ATOM 0 HZ2 LYS B 137 -5.811 -0.024 -7.263 1.00 0.00 H new ATOM 0 HZ3 LYS B 137 -7.326 0.035 -8.026 1.00 0.00 H new ATOM 1330 N PHE B 138 -0.665 3.316 -7.793 1.00 0.00 N ATOM 1331 CA PHE B 138 -0.074 4.006 -6.653 1.00 0.00 C ATOM 1332 C PHE B 138 0.905 5.080 -7.117 1.00 0.00 C ATOM 1333 O PHE B 138 1.888 5.374 -6.437 1.00 0.00 O ATOM 1334 CB PHE B 138 0.642 3.005 -5.743 1.00 0.00 C ATOM 1335 CG PHE B 138 -0.250 2.395 -4.700 1.00 0.00 C ATOM 1336 CD1 PHE B 138 -0.514 3.065 -3.517 1.00 0.00 C ATOM 1337 CD2 PHE B 138 -0.821 1.151 -4.904 1.00 0.00 C ATOM 1338 CE1 PHE B 138 -1.333 2.504 -2.556 1.00 0.00 C ATOM 1339 CE2 PHE B 138 -1.641 0.584 -3.947 1.00 0.00 C ATOM 1340 CZ PHE B 138 -1.898 1.262 -2.771 1.00 0.00 C ATOM 0 H PHE B 138 -0.035 3.198 -8.586 1.00 0.00 H new ATOM 0 HA PHE B 138 -0.876 4.488 -6.093 1.00 0.00 H new ATOM 0 HB2 PHE B 138 1.067 2.210 -6.355 1.00 0.00 H new ATOM 0 HB3 PHE B 138 1.474 3.507 -5.249 1.00 0.00 H new ATOM 0 HD1 PHE B 138 -0.075 4.036 -3.344 1.00 0.00 H new ATOM 0 HD2 PHE B 138 -0.623 0.617 -5.822 1.00 0.00 H new ATOM 0 HE1 PHE B 138 -1.531 3.036 -1.637 1.00 0.00 H new ATOM 0 HE2 PHE B 138 -2.080 -0.388 -4.118 1.00 0.00 H new ATOM 0 HZ PHE B 138 -2.539 0.822 -2.022 1.00 0.00 H new