USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 656 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 81 HIS : no HE2:sc= 0.611 K(o=0.47,f=-3!) USER MOD Set 1.2: A 124 TYR OH : rot 180:sc= -0.138 USER MOD Set 2.1: A 106 CYS SG : rot 85:sc= 0.576 USER MOD Set 2.2: A 110 SER OG : rot 90:sc= 1.21 USER MOD Set 3.1: A 92 GLN : amide:sc= -1.56! C(o=-1.8!,f=-3.8!) USER MOD Set 3.2: A 93 GLN : amide:sc= -0.274 X(o=-1.8,f=-1.9) USER MOD Single : A 60 LYS NZ :NH3+ -134:sc= 0.695 (180deg=-3.13!) USER MOD Single : A 63 ASN : amide:sc= -0.688 K(o=-0.69,f=-9.6!) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0868) USER MOD Single : A 74 CYS SG : rot 69:sc= -2.68 USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= 1.12 (180deg=0.94) USER MOD Single : A 76 MET CE :methyl 164:sc= -3.85! (180deg=-4.53!) USER MOD Single : A 77 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.5!) USER MOD Single : A 78 THR OG1 : rot -28:sc= 1.24 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0753 K(o=-0.075,f=-10!) USER MOD Single : A 96 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-9.3!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00121 USER MOD Single : A 102 SER OG : rot 47:sc= 1.27 USER MOD Single : A 107 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.82) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -168:sc= -1.93! (180deg=-1.97!) USER MOD Single : A 126 TYR OH : rot 180:sc= -0.0994 USER MOD Single : A 128 ASN :FLIP amide:sc= -0.386 F(o=-3!,f=-0.39) USER MOD Single : A 131 CYS SG : rot 86:sc= 0.156 USER MOD Single : A 132 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 135 LYS NZ :NH3+ -165:sc= -0.0547 (180deg=-0.36) USER MOD Single : A 137 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.581 -4.496 4.456 1.00 0.29 N ATOM 139 CA LYS A 60 -10.027 -3.444 5.312 1.00 0.29 C ATOM 140 C LYS A 60 -8.935 -3.987 6.234 1.00 0.25 C ATOM 141 O LYS A 60 -7.798 -3.523 6.194 1.00 0.26 O ATOM 142 CB LYS A 60 -11.168 -2.818 6.135 1.00 0.37 C ATOM 143 CG LYS A 60 -10.759 -1.655 7.034 1.00 0.57 C ATOM 144 CD LYS A 60 -10.063 -2.120 8.297 1.00 0.43 C ATOM 145 CE LYS A 60 -9.788 -0.961 9.223 1.00 0.76 C ATOM 146 NZ LYS A 60 -9.070 0.139 8.529 1.00 1.62 N ATOM 0 HA LYS A 60 -9.566 -2.684 4.681 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.941 -2.472 5.449 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.616 -3.595 6.754 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -10.097 -0.988 6.482 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.644 -1.077 7.301 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.682 -2.858 8.807 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.126 -2.614 8.039 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -10.729 -0.585 9.624 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.195 -1.305 10.070 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -8.282 0.468 9.123 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -8.698 -0.207 7.622 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -9.726 0.927 8.356 1.00 1.62 H new ATOM 160 N LEU A 61 -9.277 -4.982 7.043 1.00 0.25 N ATOM 161 CA LEU A 61 -8.305 -5.603 7.927 1.00 0.25 C ATOM 162 C LEU A 61 -7.108 -6.103 7.155 1.00 0.26 C ATOM 163 O LEU A 61 -5.964 -5.835 7.515 1.00 0.30 O ATOM 164 CB LEU A 61 -8.923 -6.767 8.670 1.00 0.30 C ATOM 165 CG LEU A 61 -8.999 -6.580 10.181 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.202 -7.918 10.875 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.757 -5.856 10.706 1.00 0.63 C ATOM 0 H LEU A 61 -10.217 -5.373 7.104 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.983 -4.842 8.638 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.929 -6.935 8.286 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.346 -7.667 8.456 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.861 -5.953 10.408 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.254 -7.765 11.953 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.131 -8.371 10.528 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.367 -8.579 10.642 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.836 -5.735 11.786 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.868 -6.441 10.470 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.681 -4.876 10.236 1.00 0.63 H new ATOM 179 N GLU A 62 -7.402 -6.836 6.102 1.00 0.25 N ATOM 180 CA GLU A 62 -6.387 -7.384 5.251 1.00 0.29 C ATOM 181 C GLU A 62 -5.449 -6.313 4.741 1.00 0.23 C ATOM 182 O GLU A 62 -4.243 -6.454 4.839 1.00 0.20 O ATOM 183 CB GLU A 62 -7.016 -8.114 4.088 1.00 0.39 C ATOM 184 CG GLU A 62 -6.510 -9.517 4.029 1.00 0.63 C ATOM 185 CD GLU A 62 -6.641 -10.165 2.668 1.00 1.48 C ATOM 186 OE1 GLU A 62 -5.720 -10.007 1.838 1.00 2.20 O ATOM 187 OE2 GLU A 62 -7.673 -10.820 2.412 1.00 1.98 O ATOM 0 H GLU A 62 -8.355 -7.064 5.818 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.803 -8.087 5.845 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.101 -8.115 4.193 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.786 -7.597 3.157 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -5.461 -9.526 4.324 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -7.052 -10.118 4.759 1.00 0.63 H new ATOM 194 N ASN A 63 -6.007 -5.242 4.223 1.00 0.22 N ATOM 195 CA ASN A 63 -5.224 -4.208 3.576 1.00 0.19 C ATOM 196 C ASN A 63 -4.389 -3.443 4.580 1.00 0.15 C ATOM 197 O ASN A 63 -3.210 -3.196 4.343 1.00 0.16 O ATOM 198 CB ASN A 63 -6.137 -3.261 2.813 1.00 0.21 C ATOM 199 CG ASN A 63 -6.742 -3.906 1.584 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.163 -4.815 1.007 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.910 -3.437 1.177 1.00 0.27 N ATOM 0 H ASN A 63 -7.011 -5.062 4.237 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.543 -4.688 2.873 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.936 -2.921 3.472 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.572 -2.378 2.515 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.361 -3.835 0.353 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.360 -2.677 1.687 1.00 0.27 H new ATOM 208 N GLU A 64 -4.999 -3.068 5.696 1.00 0.15 N ATOM 209 CA GLU A 64 -4.292 -2.501 6.807 1.00 0.16 C ATOM 210 C GLU A 64 -3.101 -3.360 7.191 1.00 0.14 C ATOM 211 O GLU A 64 -1.971 -2.888 7.275 1.00 0.17 O ATOM 212 CB GLU A 64 -5.258 -2.417 7.952 1.00 0.21 C ATOM 213 CG GLU A 64 -6.066 -1.150 7.935 1.00 0.30 C ATOM 214 CD GLU A 64 -6.544 -0.677 6.580 1.00 1.20 C ATOM 215 OE1 GLU A 64 -5.729 -0.142 5.809 1.00 1.77 O ATOM 216 OE2 GLU A 64 -7.762 -0.750 6.331 1.00 1.75 O ATOM 0 H GLU A 64 -6.004 -3.154 5.844 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.908 -1.515 6.544 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.931 -3.273 7.918 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.709 -2.481 8.891 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -6.937 -1.291 8.575 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -5.467 -0.357 8.383 1.00 0.30 H new ATOM 223 N LYS A 65 -3.385 -4.632 7.404 1.00 0.13 N ATOM 224 CA LYS A 65 -2.413 -5.593 7.799 1.00 0.14 C ATOM 225 C LYS A 65 -1.345 -5.798 6.722 1.00 0.12 C ATOM 226 O LYS A 65 -0.154 -5.741 7.011 1.00 0.14 O ATOM 227 CB LYS A 65 -3.155 -6.859 8.090 1.00 0.20 C ATOM 228 CG LYS A 65 -2.278 -8.037 8.210 1.00 0.44 C ATOM 229 CD LYS A 65 -1.311 -7.922 9.370 1.00 0.86 C ATOM 230 CE LYS A 65 -0.374 -9.106 9.389 1.00 1.32 C ATOM 231 NZ LYS A 65 -1.076 -10.368 9.732 1.00 1.93 N ATOM 0 H LYS A 65 -4.323 -5.018 7.301 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.873 -5.251 8.682 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.717 -6.738 9.016 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -3.882 -7.036 7.297 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -2.890 -8.930 8.338 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -1.717 -8.165 7.284 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -0.739 -6.998 9.286 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -1.863 -7.871 10.309 1.00 0.86 H new ATOM 0 HE2 LYS A 65 0.099 -9.209 8.413 1.00 1.32 H new ATOM 0 HE3 LYS A 65 0.422 -8.926 10.112 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -0.378 -11.124 9.883 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -1.632 -10.231 10.600 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -1.711 -10.635 8.953 1.00 1.93 H new ATOM 245 N LEU A 66 -1.780 -6.026 5.486 1.00 0.11 N ATOM 246 CA LEU A 66 -0.867 -6.195 4.359 1.00 0.10 C ATOM 247 C LEU A 66 0.012 -4.968 4.210 1.00 0.08 C ATOM 248 O LEU A 66 1.203 -5.073 3.920 1.00 0.08 O ATOM 249 CB LEU A 66 -1.643 -6.426 3.061 1.00 0.10 C ATOM 250 CG LEU A 66 -2.418 -7.741 2.983 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.308 -7.760 1.753 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.446 -8.903 2.960 1.00 0.17 C ATOM 0 H LEU A 66 -2.767 -6.098 5.238 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.244 -7.067 4.556 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.344 -5.603 2.926 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.942 -6.388 2.227 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.056 -7.833 3.862 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.853 -8.703 1.713 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.017 -6.933 1.804 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.694 -7.657 0.858 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.000 -9.840 2.904 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.794 -8.815 2.091 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.843 -8.891 3.868 1.00 0.17 H new ATOM 264 N PHE A 67 -0.584 -3.806 4.415 1.00 0.07 N ATOM 265 CA PHE A 67 0.153 -2.565 4.412 1.00 0.06 C ATOM 266 C PHE A 67 1.267 -2.608 5.449 1.00 0.06 C ATOM 267 O PHE A 67 2.405 -2.277 5.150 1.00 0.07 O ATOM 268 CB PHE A 67 -0.774 -1.384 4.690 1.00 0.08 C ATOM 269 CG PHE A 67 -0.036 -0.093 4.697 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.679 0.276 3.583 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.030 0.726 5.809 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.401 1.456 3.565 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.680 1.908 5.801 1.00 0.12 C ATOM 274 CZ PHE A 67 1.397 2.272 4.678 1.00 0.09 C ATOM 0 H PHE A 67 -1.584 -3.702 4.586 1.00 0.07 H new ATOM 0 HA PHE A 67 0.594 -2.434 3.424 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.558 -1.351 3.933 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.266 -1.527 5.652 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.677 -0.362 2.712 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.585 0.439 6.690 1.00 0.12 H new ATOM 0 HE1 PHE A 67 1.963 1.736 2.687 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.675 2.548 6.671 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.955 3.196 4.671 1.00 0.09 H new ATOM 284 N GLU A 68 0.928 -3.026 6.662 1.00 0.08 N ATOM 285 CA GLU A 68 1.915 -3.173 7.730 1.00 0.09 C ATOM 286 C GLU A 68 2.969 -4.181 7.336 1.00 0.10 C ATOM 287 O GLU A 68 4.149 -3.992 7.607 1.00 0.12 O ATOM 288 CB GLU A 68 1.261 -3.649 9.025 1.00 0.14 C ATOM 289 CG GLU A 68 0.043 -2.854 9.415 1.00 0.21 C ATOM 290 CD GLU A 68 -0.476 -3.221 10.790 1.00 0.87 C ATOM 291 OE1 GLU A 68 0.256 -3.025 11.784 1.00 1.19 O ATOM 292 OE2 GLU A 68 -1.626 -3.700 10.887 1.00 1.47 O ATOM 0 H GLU A 68 -0.024 -3.270 6.933 1.00 0.08 H new ATOM 0 HA GLU A 68 2.367 -2.194 7.890 1.00 0.09 H new ATOM 0 HB2 GLU A 68 0.981 -4.697 8.917 1.00 0.14 H new ATOM 0 HB3 GLU A 68 1.992 -3.596 9.832 1.00 0.14 H new ATOM 0 HG2 GLU A 68 0.285 -1.791 9.394 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.744 -3.017 8.678 1.00 0.21 H new ATOM 299 N GLU A 69 2.533 -5.247 6.687 1.00 0.10 N ATOM 300 CA GLU A 69 3.441 -6.296 6.239 1.00 0.12 C ATOM 301 C GLU A 69 4.498 -5.699 5.328 1.00 0.11 C ATOM 302 O GLU A 69 5.682 -6.019 5.421 1.00 0.14 O ATOM 303 CB GLU A 69 2.679 -7.366 5.465 1.00 0.15 C ATOM 304 CG GLU A 69 1.619 -8.090 6.262 1.00 0.25 C ATOM 305 CD GLU A 69 2.171 -9.241 7.071 1.00 0.81 C ATOM 306 OE1 GLU A 69 2.703 -8.989 8.173 1.00 1.21 O ATOM 307 OE2 GLU A 69 2.096 -10.394 6.607 1.00 1.34 O ATOM 0 H GLU A 69 1.553 -5.412 6.457 1.00 0.10 H new ATOM 0 HA GLU A 69 3.907 -6.746 7.115 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.208 -6.902 4.598 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.392 -8.098 5.086 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.131 -7.383 6.933 1.00 0.25 H new ATOM 0 HG3 GLU A 69 0.854 -8.465 5.582 1.00 0.25 H new ATOM 314 N PHE A 70 4.044 -4.809 4.464 1.00 0.09 N ATOM 315 CA PHE A 70 4.876 -4.180 3.483 1.00 0.09 C ATOM 316 C PHE A 70 5.661 -3.041 4.133 1.00 0.08 C ATOM 317 O PHE A 70 6.821 -2.806 3.807 1.00 0.10 O ATOM 318 CB PHE A 70 3.989 -3.688 2.345 1.00 0.09 C ATOM 319 CG PHE A 70 4.741 -3.097 1.210 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.094 -1.776 1.253 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.102 -3.861 0.114 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.803 -1.203 0.228 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.814 -3.296 -0.926 1.00 0.13 C ATOM 324 CZ PHE A 70 6.168 -1.962 -0.867 1.00 0.13 C ATOM 0 H PHE A 70 3.071 -4.506 4.433 1.00 0.09 H new ATOM 0 HA PHE A 70 5.602 -4.883 3.076 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.391 -4.522 1.977 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.294 -2.944 2.734 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.811 -1.176 2.105 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.826 -4.904 0.072 1.00 0.11 H new ATOM 0 HE1 PHE A 70 6.076 -0.159 0.277 1.00 0.14 H new ATOM 0 HE2 PHE A 70 6.093 -3.894 -1.781 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.728 -1.514 -1.674 1.00 0.13 H new ATOM 334 N LEU A 71 5.005 -2.330 5.048 1.00 0.07 N ATOM 335 CA LEU A 71 5.639 -1.276 5.813 1.00 0.08 C ATOM 336 C LEU A 71 6.821 -1.788 6.625 1.00 0.08 C ATOM 337 O LEU A 71 7.931 -1.274 6.503 1.00 0.09 O ATOM 338 CB LEU A 71 4.623 -0.591 6.722 1.00 0.09 C ATOM 339 CG LEU A 71 4.092 0.728 6.177 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.653 1.651 7.285 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.145 1.403 5.351 1.00 0.10 C ATOM 0 H LEU A 71 4.021 -2.474 5.274 1.00 0.07 H new ATOM 0 HA LEU A 71 6.027 -0.547 5.101 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.785 -1.268 6.887 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.083 -0.411 7.694 1.00 0.09 H new ATOM 0 HG LEU A 71 3.224 0.504 5.558 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.280 2.582 6.857 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.861 1.175 7.863 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.500 1.865 7.937 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.756 2.345 4.965 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.022 1.598 5.968 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.423 0.757 4.518 1.00 0.10 H new ATOM 353 N GLU A 72 6.569 -2.785 7.463 1.00 0.08 N ATOM 354 CA GLU A 72 7.637 -3.446 8.226 1.00 0.11 C ATOM 355 C GLU A 72 8.729 -3.904 7.290 1.00 0.09 C ATOM 356 O GLU A 72 9.917 -3.721 7.551 1.00 0.12 O ATOM 357 CB GLU A 72 7.107 -4.651 8.987 1.00 0.19 C ATOM 358 CG GLU A 72 6.006 -4.288 9.939 1.00 0.26 C ATOM 359 CD GLU A 72 6.460 -3.321 11.012 1.00 0.59 C ATOM 360 OE1 GLU A 72 7.357 -3.688 11.796 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.922 -2.196 11.078 1.00 1.13 O ATOM 0 H GLU A 72 5.636 -3.159 7.636 1.00 0.08 H new ATOM 0 HA GLU A 72 8.031 -2.723 8.941 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.740 -5.393 8.277 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.923 -5.116 9.540 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.180 -3.845 9.382 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.624 -5.194 10.409 1.00 0.26 H new ATOM 368 N LEU A 73 8.294 -4.507 6.198 1.00 0.10 N ATOM 369 CA LEU A 73 9.185 -4.910 5.119 1.00 0.11 C ATOM 370 C LEU A 73 10.070 -3.753 4.699 1.00 0.10 C ATOM 371 O LEU A 73 11.283 -3.882 4.695 1.00 0.12 O ATOM 372 CB LEU A 73 8.367 -5.396 3.922 1.00 0.14 C ATOM 373 CG LEU A 73 9.181 -5.856 2.714 1.00 0.20 C ATOM 374 CD1 LEU A 73 9.773 -7.232 2.950 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.321 -5.848 1.466 1.00 0.46 C ATOM 0 H LEU A 73 7.313 -4.732 6.032 1.00 0.10 H new ATOM 0 HA LEU A 73 9.818 -5.722 5.477 1.00 0.11 H new ATOM 0 HB2 LEU A 73 7.734 -6.221 4.248 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.704 -4.591 3.606 1.00 0.14 H new ATOM 0 HG LEU A 73 10.006 -5.158 2.571 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.348 -7.536 2.075 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.427 -7.202 3.821 1.00 0.49 H new ATOM 0 HD13 LEU A 73 8.970 -7.949 3.124 1.00 0.49 H new ATOM 0 HD21 LEU A 73 8.914 -6.178 0.613 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.475 -6.522 1.602 1.00 0.46 H new ATOM 0 HD23 LEU A 73 7.954 -4.838 1.284 1.00 0.46 H new ATOM 387 N CYS A 74 9.466 -2.620 4.378 1.00 0.09 N ATOM 388 CA CYS A 74 10.235 -1.463 3.943 1.00 0.10 C ATOM 389 C CYS A 74 11.205 -1.020 5.033 1.00 0.11 C ATOM 390 O CYS A 74 12.356 -0.720 4.749 1.00 0.14 O ATOM 391 CB CYS A 74 9.322 -0.314 3.535 1.00 0.10 C ATOM 392 SG CYS A 74 8.255 -0.718 2.145 1.00 0.11 S ATOM 0 H CYS A 74 8.457 -2.476 4.409 1.00 0.09 H new ATOM 0 HA CYS A 74 10.813 -1.757 3.067 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.705 -0.028 4.387 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.931 0.552 3.277 1.00 0.10 H new ATOM 0 HG CYS A 74 7.372 -1.597 2.517 1.00 0.11 H new ATOM 398 N LYS A 75 10.766 -1.046 6.289 1.00 0.11 N ATOM 399 CA LYS A 75 11.639 -0.698 7.406 1.00 0.12 C ATOM 400 C LYS A 75 12.860 -1.616 7.434 1.00 0.13 C ATOM 401 O LYS A 75 13.887 -1.296 8.030 1.00 0.16 O ATOM 402 CB LYS A 75 10.872 -0.814 8.721 1.00 0.13 C ATOM 403 CG LYS A 75 9.669 0.093 8.808 1.00 0.18 C ATOM 404 CD LYS A 75 8.842 -0.240 10.028 1.00 0.20 C ATOM 405 CE LYS A 75 7.577 0.586 10.077 1.00 0.30 C ATOM 406 NZ LYS A 75 6.737 0.246 11.254 1.00 0.32 N ATOM 0 H LYS A 75 9.816 -1.303 6.558 1.00 0.11 H new ATOM 0 HA LYS A 75 11.977 0.330 7.277 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.547 -1.846 8.851 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.547 -0.586 9.546 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.993 1.133 8.854 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.061 -0.012 7.909 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.587 -1.300 10.019 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.430 -0.062 10.928 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.836 1.644 10.110 1.00 0.30 H new ATOM 0 HE3 LYS A 75 7.004 0.426 9.164 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 6.045 1.005 11.417 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.236 -0.648 11.076 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.342 0.143 12.094 1.00 0.32 H new ATOM 420 N MET A 76 12.733 -2.759 6.779 1.00 0.12 N ATOM 421 CA MET A 76 13.800 -3.736 6.705 1.00 0.13 C ATOM 422 C MET A 76 14.731 -3.459 5.526 1.00 0.14 C ATOM 423 O MET A 76 15.949 -3.567 5.659 1.00 0.16 O ATOM 424 CB MET A 76 13.206 -5.143 6.594 1.00 0.14 C ATOM 425 CG MET A 76 12.420 -5.559 7.823 1.00 0.15 C ATOM 426 SD MET A 76 12.087 -7.330 7.882 1.00 0.21 S ATOM 427 CE MET A 76 10.974 -7.505 6.494 1.00 0.40 C ATOM 0 H MET A 76 11.884 -3.033 6.284 1.00 0.12 H new ATOM 0 HA MET A 76 14.392 -3.663 7.617 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.554 -5.187 5.722 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.011 -5.858 6.427 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.973 -5.269 8.716 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.475 -5.017 7.844 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.899 -8.557 6.218 1.00 0.40 H new ATOM 0 HE2 MET A 76 9.988 -7.131 6.769 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.356 -6.934 5.647 1.00 0.40 H new ATOM 437 N GLN A 77 14.169 -3.087 4.379 1.00 0.14 N ATOM 438 CA GLN A 77 14.948 -2.973 3.154 1.00 0.15 C ATOM 439 C GLN A 77 15.247 -1.526 2.743 1.00 0.16 C ATOM 440 O GLN A 77 16.130 -1.295 1.916 1.00 0.22 O ATOM 441 CB GLN A 77 14.227 -3.693 2.012 1.00 0.19 C ATOM 442 CG GLN A 77 12.840 -4.204 2.364 1.00 0.21 C ATOM 443 CD GLN A 77 12.623 -5.638 1.949 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.176 -5.916 0.840 1.00 0.83 O ATOM 445 NE2 GLN A 77 12.919 -6.555 2.853 1.00 0.25 N ATOM 0 H GLN A 77 13.180 -2.860 4.274 1.00 0.14 H new ATOM 0 HA GLN A 77 15.911 -3.441 3.359 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.145 -3.012 1.165 1.00 0.19 H new ATOM 0 HB3 GLN A 77 14.839 -4.535 1.687 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.687 -4.115 3.439 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.092 -3.574 1.882 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.288 -6.275 3.762 1.00 0.25 H new ATOM 0 HE22 GLN A 77 12.778 -7.543 2.642 1.00 0.25 H new ATOM 454 N THR A 78 14.542 -0.554 3.306 1.00 0.17 N ATOM 455 CA THR A 78 14.729 0.835 2.894 1.00 0.22 C ATOM 456 C THR A 78 15.436 1.628 3.974 1.00 0.30 C ATOM 457 O THR A 78 14.988 2.707 4.343 1.00 0.32 O ATOM 458 CB THR A 78 13.403 1.565 2.557 1.00 0.17 C ATOM 459 OG1 THR A 78 12.570 1.667 3.715 1.00 0.14 O ATOM 460 CG2 THR A 78 12.644 0.860 1.452 1.00 0.22 C ATOM 0 H THR A 78 13.846 -0.695 4.038 1.00 0.17 H new ATOM 0 HA THR A 78 15.331 0.784 1.987 1.00 0.22 H new ATOM 0 HB THR A 78 13.667 2.565 2.213 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.766 0.925 4.325 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.721 1.400 1.243 1.00 0.22 H new ATOM 0 HG22 THR A 78 13.258 0.829 0.552 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.407 -0.157 1.765 1.00 0.22 H new ATOM 468 N ALA A 79 16.524 1.098 4.502 1.00 0.38 N ATOM 469 CA ALA A 79 17.325 1.834 5.468 1.00 0.50 C ATOM 470 C ALA A 79 17.803 3.159 4.897 1.00 0.52 C ATOM 471 O ALA A 79 17.946 4.146 5.618 1.00 0.55 O ATOM 472 CB ALA A 79 18.509 0.998 5.885 1.00 0.67 C ATOM 0 H ALA A 79 16.874 0.166 4.281 1.00 0.38 H new ATOM 0 HA ALA A 79 16.701 2.048 6.336 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.108 1.551 6.609 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.158 0.070 6.337 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.118 0.768 5.011 1.00 0.67 H new ATOM 478 N ASP A 80 18.054 3.172 3.594 1.00 0.53 N ATOM 479 CA ASP A 80 18.480 4.384 2.908 1.00 0.57 C ATOM 480 C ASP A 80 17.324 5.365 2.795 1.00 0.52 C ATOM 481 O ASP A 80 17.518 6.563 2.592 1.00 0.57 O ATOM 482 CB ASP A 80 18.997 4.044 1.510 1.00 0.65 C ATOM 483 CG ASP A 80 19.574 5.240 0.777 1.00 1.21 C ATOM 484 OD1 ASP A 80 20.620 5.760 1.219 1.00 1.94 O ATOM 485 OD2 ASP A 80 18.986 5.668 -0.239 1.00 1.46 O ATOM 0 H ASP A 80 17.969 2.354 2.990 1.00 0.53 H new ATOM 0 HA ASP A 80 19.281 4.843 3.488 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.762 3.272 1.591 1.00 0.65 H new ATOM 0 HB3 ASP A 80 18.182 3.624 0.921 1.00 0.65 H new ATOM 490 N HIS A 81 16.119 4.845 2.939 1.00 0.43 N ATOM 491 CA HIS A 81 14.918 5.658 2.808 1.00 0.38 C ATOM 492 C HIS A 81 13.911 5.348 3.900 1.00 0.29 C ATOM 493 O HIS A 81 12.841 4.804 3.635 1.00 0.23 O ATOM 494 CB HIS A 81 14.270 5.463 1.433 1.00 0.41 C ATOM 495 CG HIS A 81 15.010 6.148 0.326 1.00 0.61 C ATOM 496 ND1 HIS A 81 14.866 7.490 0.039 1.00 0.99 N ATOM 497 CD2 HIS A 81 15.890 5.663 -0.582 1.00 0.70 C ATOM 498 CE1 HIS A 81 15.612 7.794 -1.006 1.00 1.08 C ATOM 499 NE2 HIS A 81 16.246 6.705 -1.404 1.00 0.86 N ATOM 0 H HIS A 81 15.943 3.862 3.147 1.00 0.43 H new ATOM 0 HA HIS A 81 15.224 6.699 2.911 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.210 4.397 1.215 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.248 5.839 1.464 1.00 0.41 H new ATOM 0 HD1 HIS A 81 14.276 8.144 0.554 1.00 0.99 H new ATOM 0 HD2 HIS A 81 16.246 4.646 -0.648 1.00 0.70 H new ATOM 0 HE1 HIS A 81 15.691 8.770 -1.461 1.00 1.08 H new ATOM 508 N PRO A 82 14.235 5.705 5.148 1.00 0.32 N ATOM 509 CA PRO A 82 13.327 5.523 6.275 1.00 0.29 C ATOM 510 C PRO A 82 12.098 6.416 6.148 1.00 0.26 C ATOM 511 O PRO A 82 11.107 6.234 6.844 1.00 0.29 O ATOM 512 CB PRO A 82 14.165 5.921 7.486 1.00 0.38 C ATOM 513 CG PRO A 82 15.253 6.780 6.955 1.00 0.44 C ATOM 514 CD PRO A 82 15.515 6.308 5.560 1.00 0.41 C ATOM 0 HA PRO A 82 12.944 4.505 6.340 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.564 6.459 8.219 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.569 5.042 7.988 1.00 0.38 H new ATOM 0 HG2 PRO A 82 14.959 7.829 6.962 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.150 6.696 7.569 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.798 7.132 4.905 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.328 5.582 5.529 1.00 0.41 H new ATOM 522 N GLU A 83 12.183 7.370 5.227 1.00 0.23 N ATOM 523 CA GLU A 83 11.092 8.290 4.934 1.00 0.21 C ATOM 524 C GLU A 83 10.001 7.599 4.122 1.00 0.17 C ATOM 525 O GLU A 83 8.877 8.091 4.018 1.00 0.18 O ATOM 526 CB GLU A 83 11.629 9.460 4.130 1.00 0.28 C ATOM 527 CG GLU A 83 12.161 9.006 2.800 1.00 0.46 C ATOM 528 CD GLU A 83 12.893 10.080 2.031 1.00 0.55 C ATOM 529 OE1 GLU A 83 12.375 11.210 1.928 1.00 1.01 O ATOM 530 OE2 GLU A 83 13.990 9.787 1.511 1.00 0.95 O ATOM 0 H GLU A 83 13.016 7.527 4.660 1.00 0.23 H new ATOM 0 HA GLU A 83 10.667 8.634 5.877 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.837 10.193 3.977 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.420 9.957 4.691 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.835 8.164 2.958 1.00 0.46 H new ATOM 0 HG3 GLU A 83 11.332 8.641 2.194 1.00 0.46 H new ATOM 537 N VAL A 84 10.363 6.476 3.530 1.00 0.15 N ATOM 538 CA VAL A 84 9.485 5.730 2.654 1.00 0.14 C ATOM 539 C VAL A 84 8.310 5.138 3.409 1.00 0.11 C ATOM 540 O VAL A 84 7.207 5.072 2.890 1.00 0.11 O ATOM 541 CB VAL A 84 10.298 4.653 1.915 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.528 3.380 1.701 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.783 5.206 0.597 1.00 0.21 C ATOM 0 H VAL A 84 11.284 6.054 3.646 1.00 0.15 H new ATOM 0 HA VAL A 84 9.058 6.410 1.917 1.00 0.14 H new ATOM 0 HB VAL A 84 11.147 4.394 2.547 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.155 2.660 1.175 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.232 2.967 2.665 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.638 3.588 1.107 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.359 4.444 0.073 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.927 5.497 -0.012 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.413 6.077 0.778 1.00 0.21 H new ATOM 553 N VAL A 85 8.549 4.717 4.630 1.00 0.09 N ATOM 554 CA VAL A 85 7.486 4.235 5.479 1.00 0.09 C ATOM 555 C VAL A 85 6.476 5.336 5.803 1.00 0.10 C ATOM 556 O VAL A 85 5.292 5.139 5.617 1.00 0.10 O ATOM 557 CB VAL A 85 8.067 3.612 6.742 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.983 3.376 7.765 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.785 2.332 6.364 1.00 0.11 C ATOM 0 H VAL A 85 9.475 4.699 5.058 1.00 0.09 H new ATOM 0 HA VAL A 85 6.939 3.463 4.937 1.00 0.09 H new ATOM 0 HB VAL A 85 8.785 4.291 7.202 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.418 2.931 8.660 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.514 4.325 8.024 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.233 2.701 7.352 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.207 1.874 7.258 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.079 1.642 5.901 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.586 2.558 5.660 1.00 0.11 H new ATOM 569 N PRO A 86 6.922 6.491 6.312 1.00 0.12 N ATOM 570 CA PRO A 86 6.073 7.675 6.432 1.00 0.14 C ATOM 571 C PRO A 86 5.342 7.997 5.124 1.00 0.14 C ATOM 572 O PRO A 86 4.147 8.228 5.129 1.00 0.18 O ATOM 573 CB PRO A 86 7.036 8.804 6.781 1.00 0.18 C ATOM 574 CG PRO A 86 8.333 8.165 7.156 1.00 0.18 C ATOM 575 CD PRO A 86 8.246 6.692 6.879 1.00 0.14 C ATOM 0 HA PRO A 86 5.294 7.526 7.180 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.167 9.476 5.933 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.648 9.403 7.605 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.150 8.608 6.587 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.548 8.338 8.210 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.024 6.375 6.185 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.376 6.111 7.792 1.00 0.14 H new ATOM 583 N PHE A 87 6.080 8.000 4.015 1.00 0.13 N ATOM 584 CA PHE A 87 5.528 8.208 2.672 1.00 0.14 C ATOM 585 C PHE A 87 4.471 7.152 2.349 1.00 0.12 C ATOM 586 O PHE A 87 3.438 7.444 1.745 1.00 0.12 O ATOM 587 CB PHE A 87 6.693 8.130 1.667 1.00 0.18 C ATOM 588 CG PHE A 87 6.348 8.315 0.212 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.127 8.822 -0.180 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.274 7.985 -0.767 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.826 8.998 -1.515 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.980 8.155 -2.106 1.00 1.01 C ATOM 593 CZ PHE A 87 5.754 8.664 -2.482 1.00 0.69 C ATOM 0 H PHE A 87 7.090 7.857 4.021 1.00 0.13 H new ATOM 0 HA PHE A 87 5.042 9.182 2.615 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.429 8.886 1.941 1.00 0.18 H new ATOM 0 HB3 PHE A 87 7.176 7.159 1.781 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.395 9.085 0.569 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.237 7.590 -0.479 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.865 9.397 -1.804 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.709 7.890 -2.858 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.521 8.801 -3.528 1.00 0.69 H new ATOM 603 N LEU A 88 4.710 5.946 2.816 1.00 0.10 N ATOM 604 CA LEU A 88 3.812 4.842 2.584 1.00 0.09 C ATOM 605 C LEU A 88 2.602 5.026 3.455 1.00 0.08 C ATOM 606 O LEU A 88 1.457 4.983 3.004 1.00 0.09 O ATOM 607 CB LEU A 88 4.502 3.546 2.967 1.00 0.09 C ATOM 608 CG LEU A 88 5.051 2.733 1.816 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.859 1.574 2.342 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.925 2.230 0.944 1.00 0.10 C ATOM 0 H LEU A 88 5.534 5.706 3.367 1.00 0.10 H new ATOM 0 HA LEU A 88 3.524 4.806 1.533 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.321 3.779 3.647 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.794 2.928 3.520 1.00 0.09 H new ATOM 0 HG LEU A 88 5.698 3.371 1.214 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.250 0.994 1.506 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.688 1.951 2.942 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.224 0.938 2.959 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.336 1.647 0.120 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.259 1.603 1.536 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.367 3.077 0.546 1.00 0.10 H new ATOM 622 N TYR A 89 2.908 5.264 4.716 1.00 0.08 N ATOM 623 CA TYR A 89 1.935 5.420 5.750 1.00 0.09 C ATOM 624 C TYR A 89 0.989 6.539 5.405 1.00 0.09 C ATOM 625 O TYR A 89 -0.218 6.388 5.439 1.00 0.11 O ATOM 626 CB TYR A 89 2.658 5.793 7.033 1.00 0.10 C ATOM 627 CG TYR A 89 2.362 4.885 8.172 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.078 4.460 8.382 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.355 4.461 9.034 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.763 3.630 9.418 1.00 0.19 C ATOM 631 CE2 TYR A 89 3.064 3.625 10.082 1.00 0.20 C ATOM 632 CZ TYR A 89 1.762 3.206 10.278 1.00 0.22 C ATOM 633 OH TYR A 89 1.461 2.369 11.329 1.00 0.27 O ATOM 0 H TYR A 89 3.869 5.354 5.046 1.00 0.08 H new ATOM 0 HA TYR A 89 1.377 4.491 5.865 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.732 5.791 6.848 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.384 6.811 7.311 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.297 4.789 7.713 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.372 4.791 8.881 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.257 3.306 9.566 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.847 3.297 10.749 1.00 0.20 H new ATOM 0 HH TYR A 89 2.278 2.168 11.832 1.00 0.27 H new ATOM 643 N ASN A 90 1.592 7.652 5.061 1.00 0.09 N ATOM 644 CA ASN A 90 0.901 8.866 4.698 1.00 0.09 C ATOM 645 C ASN A 90 -0.077 8.627 3.568 1.00 0.09 C ATOM 646 O ASN A 90 -1.267 8.859 3.727 1.00 0.10 O ATOM 647 CB ASN A 90 1.943 9.869 4.272 1.00 0.11 C ATOM 648 CG ASN A 90 1.362 11.169 3.816 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.453 11.721 4.431 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.858 11.628 2.700 1.00 0.40 N ATOM 0 H ASN A 90 2.608 7.740 5.025 1.00 0.09 H new ATOM 0 HA ASN A 90 0.327 9.232 5.550 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.621 10.054 5.105 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.539 9.443 3.465 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.490 12.489 2.294 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.613 11.126 2.233 1.00 0.40 H new ATOM 657 N ARG A 91 0.431 8.150 2.433 1.00 0.08 N ATOM 658 CA ARG A 91 -0.411 7.849 1.279 1.00 0.10 C ATOM 659 C ARG A 91 -1.563 6.941 1.682 1.00 0.09 C ATOM 660 O ARG A 91 -2.699 7.132 1.262 1.00 0.11 O ATOM 661 CB ARG A 91 0.419 7.171 0.189 1.00 0.13 C ATOM 662 CG ARG A 91 1.325 8.116 -0.568 1.00 0.16 C ATOM 663 CD ARG A 91 0.515 9.148 -1.327 1.00 0.29 C ATOM 664 NE ARG A 91 1.350 10.245 -1.811 1.00 0.88 N ATOM 665 CZ ARG A 91 2.045 10.213 -2.946 1.00 1.05 C ATOM 666 NH1 ARG A 91 1.967 9.157 -3.749 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.816 11.240 -3.277 1.00 1.64 N ATOM 0 H ARG A 91 1.423 7.964 2.289 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.817 8.785 0.895 1.00 0.10 H new ATOM 0 HB2 ARG A 91 1.025 6.387 0.643 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.254 6.685 -0.517 1.00 0.13 H new ATOM 0 HG2 ARG A 91 1.999 8.616 0.128 1.00 0.16 H new ATOM 0 HG3 ARG A 91 1.946 7.552 -1.264 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.017 8.670 -2.171 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.267 9.545 -0.679 1.00 0.29 H new ATOM 0 HE ARG A 91 1.404 11.090 -1.242 1.00 0.88 H new ATOM 0 HH11 ARG A 91 1.373 8.367 -3.497 1.00 1.35 H new ATOM 0 HH12 ARG A 91 2.501 9.136 -4.618 1.00 1.35 H new ATOM 0 HH21 ARG A 91 2.876 12.052 -2.662 1.00 1.64 H new ATOM 0 HH22 ARG A 91 3.350 11.218 -4.146 1.00 1.64 H new ATOM 681 N GLN A 92 -1.246 5.973 2.519 1.00 0.09 N ATOM 682 CA GLN A 92 -2.212 4.990 2.989 1.00 0.12 C ATOM 683 C GLN A 92 -3.226 5.645 3.920 1.00 0.11 C ATOM 684 O GLN A 92 -4.431 5.438 3.800 1.00 0.13 O ATOM 685 CB GLN A 92 -1.449 3.888 3.712 1.00 0.18 C ATOM 686 CG GLN A 92 -2.080 2.512 3.649 1.00 0.35 C ATOM 687 CD GLN A 92 -3.044 2.233 4.777 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.005 2.870 5.831 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.836 1.206 4.591 1.00 0.36 N ATOM 0 H GLN A 92 -0.307 5.842 2.896 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.763 4.570 2.148 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.445 3.828 3.292 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.340 4.172 4.759 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -2.605 2.406 2.700 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.291 1.760 3.663 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.830 0.712 3.698 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -4.459 0.900 5.339 1.00 0.36 H new ATOM 698 N GLN A 93 -2.712 6.450 4.835 1.00 0.12 N ATOM 699 CA GLN A 93 -3.526 7.167 5.802 1.00 0.14 C ATOM 700 C GLN A 93 -4.451 8.173 5.115 1.00 0.16 C ATOM 701 O GLN A 93 -5.585 8.384 5.545 1.00 0.20 O ATOM 702 CB GLN A 93 -2.622 7.887 6.814 1.00 0.15 C ATOM 703 CG GLN A 93 -1.947 6.964 7.821 1.00 0.15 C ATOM 704 CD GLN A 93 -2.896 5.985 8.477 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.537 6.292 9.480 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.952 4.776 7.948 1.00 0.22 N ATOM 0 H GLN A 93 -1.712 6.625 4.928 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.149 6.441 6.324 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.853 8.436 6.270 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.217 8.623 7.355 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.156 6.408 7.318 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.471 7.569 8.593 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.406 4.558 7.115 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.542 4.060 8.373 1.00 0.22 H new ATOM 715 N ARG A 94 -3.964 8.786 4.041 1.00 0.14 N ATOM 716 CA ARG A 94 -4.715 9.824 3.342 1.00 0.15 C ATOM 717 C ARG A 94 -5.512 9.268 2.167 1.00 0.14 C ATOM 718 O ARG A 94 -6.195 10.007 1.458 1.00 0.19 O ATOM 719 CB ARG A 94 -3.759 10.908 2.872 1.00 0.21 C ATOM 720 CG ARG A 94 -2.789 10.466 1.802 1.00 0.76 C ATOM 721 CD ARG A 94 -1.546 11.341 1.797 1.00 0.64 C ATOM 722 NE ARG A 94 -1.831 12.729 1.406 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.571 13.795 2.166 1.00 1.04 C ATOM 724 NH1 ARG A 94 -1.069 13.647 3.382 1.00 1.60 N ATOM 725 NH2 ARG A 94 -1.803 15.017 1.704 1.00 1.40 N ATOM 0 H ARG A 94 -3.051 8.582 3.635 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.437 10.246 4.041 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.341 11.748 2.493 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.193 11.273 3.729 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.506 9.427 1.970 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.273 10.511 0.826 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.097 11.333 2.790 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -0.812 10.918 1.111 1.00 0.64 H new ATOM 0 HE ARG A 94 -2.256 12.888 0.493 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -0.878 12.713 3.745 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -0.873 14.467 3.956 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.181 15.144 0.765 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.603 15.829 2.288 1.00 1.40 H new ATOM 739 N ALA A 95 -5.412 7.969 1.963 1.00 0.12 N ATOM 740 CA ALA A 95 -6.156 7.295 0.899 1.00 0.12 C ATOM 741 C ALA A 95 -7.609 7.080 1.311 1.00 0.13 C ATOM 742 O ALA A 95 -7.973 7.298 2.464 1.00 0.17 O ATOM 743 CB ALA A 95 -5.508 5.960 0.557 1.00 0.13 C ATOM 0 H ALA A 95 -4.822 7.351 2.519 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.135 7.932 0.015 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.075 5.473 -0.236 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.485 6.128 0.221 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.500 5.322 1.441 1.00 0.13 H new ATOM 749 N HIS A 96 -8.437 6.665 0.362 1.00 0.12 N ATOM 750 CA HIS A 96 -9.846 6.414 0.623 1.00 0.13 C ATOM 751 C HIS A 96 -10.011 5.203 1.513 1.00 0.13 C ATOM 752 O HIS A 96 -9.602 4.106 1.152 1.00 0.12 O ATOM 753 CB HIS A 96 -10.578 6.184 -0.688 1.00 0.14 C ATOM 754 CG HIS A 96 -11.995 6.642 -0.648 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.845 6.224 0.340 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.650 7.495 -1.470 1.00 0.23 C ATOM 757 CE1 HIS A 96 -13.993 6.826 0.103 1.00 0.23 C ATOM 758 NE2 HIS A 96 -13.925 7.608 -0.982 1.00 0.25 N ATOM 0 H HIS A 96 -8.153 6.494 -0.603 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.267 7.283 1.129 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.054 6.708 -1.488 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.551 5.122 -0.932 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.246 7.990 -2.341 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.879 6.704 0.709 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.677 8.178 -1.370 1.00 0.25 H new ATOM 766 N SER A 97 -10.594 5.421 2.689 1.00 0.16 N ATOM 767 CA SER A 97 -10.888 4.343 3.621 1.00 0.20 C ATOM 768 C SER A 97 -11.688 3.234 2.942 1.00 0.18 C ATOM 769 O SER A 97 -11.522 2.059 3.260 1.00 0.18 O ATOM 770 CB SER A 97 -11.661 4.894 4.818 1.00 0.29 C ATOM 771 OG SER A 97 -10.995 6.017 5.373 1.00 1.32 O ATOM 0 H SER A 97 -10.873 6.345 3.019 1.00 0.16 H new ATOM 0 HA SER A 97 -9.946 3.916 3.964 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.667 5.178 4.508 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.769 4.118 5.576 1.00 0.29 H new ATOM 0 HG SER A 97 -11.507 6.356 6.137 1.00 1.32 H new ATOM 777 N LEU A 98 -12.566 3.613 2.016 1.00 0.18 N ATOM 778 CA LEU A 98 -13.281 2.649 1.191 1.00 0.18 C ATOM 779 C LEU A 98 -12.317 1.811 0.378 1.00 0.15 C ATOM 780 O LEU A 98 -12.418 0.592 0.348 1.00 0.18 O ATOM 781 CB LEU A 98 -14.211 3.373 0.237 1.00 0.21 C ATOM 782 CG LEU A 98 -15.520 3.861 0.834 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.283 4.634 -0.217 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.348 2.697 1.361 1.00 0.61 C ATOM 0 H LEU A 98 -12.798 4.587 1.820 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.851 2.000 1.856 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.680 4.230 -0.178 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.439 2.706 -0.595 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.307 4.515 1.679 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.224 4.988 0.203 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -15.688 5.487 -0.545 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.487 3.985 -1.069 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.279 3.075 1.783 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.571 2.010 0.544 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.787 2.172 2.134 1.00 0.61 H new ATOM 796 N PHE A 99 -11.372 2.487 -0.250 1.00 0.12 N ATOM 797 CA PHE A 99 -10.388 1.835 -1.111 1.00 0.11 C ATOM 798 C PHE A 99 -9.460 0.964 -0.279 1.00 0.11 C ATOM 799 O PHE A 99 -9.108 -0.147 -0.675 1.00 0.12 O ATOM 800 CB PHE A 99 -9.585 2.870 -1.892 1.00 0.12 C ATOM 801 CG PHE A 99 -8.371 2.291 -2.555 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.507 1.508 -3.683 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.102 2.537 -2.061 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.401 0.973 -4.311 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.991 2.007 -2.685 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.111 1.218 -3.754 1.00 0.18 C ATOM 0 H PHE A 99 -11.261 3.499 -0.182 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.918 1.204 -1.825 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.225 3.322 -2.650 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.277 3.668 -1.217 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.492 1.311 -4.080 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.980 3.149 -1.180 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.510 0.380 -5.207 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -5.008 2.235 -2.301 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.235 0.767 -4.196 1.00 0.18 H new ATOM 816 N LEU A 100 -9.080 1.477 0.879 1.00 0.12 N ATOM 817 CA LEU A 100 -8.281 0.724 1.830 1.00 0.14 C ATOM 818 C LEU A 100 -9.054 -0.491 2.320 1.00 0.16 C ATOM 819 O LEU A 100 -8.483 -1.435 2.843 1.00 0.21 O ATOM 820 CB LEU A 100 -7.902 1.606 3.012 1.00 0.17 C ATOM 821 CG LEU A 100 -7.181 2.895 2.652 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.276 3.871 3.803 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.737 2.603 2.315 1.00 0.22 C ATOM 0 H LEU A 100 -9.315 2.421 1.185 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.372 0.388 1.332 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -8.808 1.857 3.563 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.268 1.030 3.686 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.653 3.342 1.777 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -6.758 4.794 3.541 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.324 4.089 4.010 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -6.815 3.435 4.689 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.228 3.532 2.058 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.248 2.147 3.176 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.692 1.919 1.468 1.00 0.22 H new ATOM 835 N ALA A 101 -10.366 -0.457 2.163 1.00 0.16 N ATOM 836 CA ALA A 101 -11.202 -1.605 2.486 1.00 0.19 C ATOM 837 C ALA A 101 -11.709 -2.288 1.218 1.00 0.21 C ATOM 838 O ALA A 101 -12.564 -3.175 1.278 1.00 0.37 O ATOM 839 CB ALA A 101 -12.372 -1.171 3.355 1.00 0.23 C ATOM 0 H ALA A 101 -10.878 0.353 1.814 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.597 -2.324 3.038 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -12.991 -2.037 3.591 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -11.996 -0.731 4.279 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -12.969 -0.433 2.819 1.00 0.23 H new ATOM 845 N SER A 102 -11.160 -1.887 0.077 1.00 0.13 N ATOM 846 CA SER A 102 -11.608 -2.387 -1.216 1.00 0.15 C ATOM 847 C SER A 102 -10.650 -3.434 -1.771 1.00 0.17 C ATOM 848 O SER A 102 -9.461 -3.469 -1.438 1.00 0.25 O ATOM 849 CB SER A 102 -11.766 -1.229 -2.205 1.00 0.18 C ATOM 850 OG SER A 102 -12.937 -0.484 -1.936 1.00 1.40 O ATOM 0 H SER A 102 -10.398 -1.211 0.022 1.00 0.13 H new ATOM 0 HA SER A 102 -12.576 -2.867 -1.073 1.00 0.15 H new ATOM 0 HB2 SER A 102 -10.895 -0.576 -2.147 1.00 0.18 H new ATOM 0 HB3 SER A 102 -11.805 -1.619 -3.222 1.00 0.18 H new ATOM 0 HG SER A 102 -12.992 -0.296 -0.976 1.00 1.40 H new ATOM 856 N ALA A 103 -11.212 -4.292 -2.616 1.00 0.20 N ATOM 857 CA ALA A 103 -10.496 -5.407 -3.217 1.00 0.21 C ATOM 858 C ALA A 103 -9.273 -4.957 -3.999 1.00 0.18 C ATOM 859 O ALA A 103 -8.264 -5.660 -4.024 1.00 0.19 O ATOM 860 CB ALA A 103 -11.431 -6.178 -4.130 1.00 0.27 C ATOM 0 H ALA A 103 -12.188 -4.230 -2.905 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.146 -6.046 -2.406 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.894 -7.013 -4.580 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.273 -6.558 -3.552 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.799 -5.518 -4.916 1.00 0.27 H new ATOM 866 N GLU A 104 -9.370 -3.806 -4.658 1.00 0.17 N ATOM 867 CA GLU A 104 -8.271 -3.316 -5.481 1.00 0.17 C ATOM 868 C GLU A 104 -6.991 -3.186 -4.671 1.00 0.14 C ATOM 869 O GLU A 104 -5.930 -3.618 -5.113 1.00 0.14 O ATOM 870 CB GLU A 104 -8.590 -1.974 -6.116 1.00 0.22 C ATOM 871 CG GLU A 104 -7.654 -1.631 -7.268 1.00 0.30 C ATOM 872 CD GLU A 104 -7.705 -0.172 -7.684 1.00 0.97 C ATOM 873 OE1 GLU A 104 -8.743 0.481 -7.462 1.00 1.29 O ATOM 874 OE2 GLU A 104 -6.693 0.330 -8.231 1.00 1.70 O ATOM 0 H GLU A 104 -10.191 -3.201 -4.639 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.129 -4.053 -6.271 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.618 -1.984 -6.479 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.527 -1.194 -5.358 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -6.633 -1.882 -6.981 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -7.906 -2.253 -8.127 1.00 0.30 H new ATOM 881 N PHE A 105 -7.082 -2.609 -3.477 1.00 0.13 N ATOM 882 CA PHE A 105 -5.902 -2.410 -2.661 1.00 0.13 C ATOM 883 C PHE A 105 -5.346 -3.751 -2.213 1.00 0.12 C ATOM 884 O PHE A 105 -4.138 -3.937 -2.181 1.00 0.13 O ATOM 885 CB PHE A 105 -6.226 -1.535 -1.447 1.00 0.13 C ATOM 886 CG PHE A 105 -5.004 -1.081 -0.706 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.854 -0.765 -1.402 1.00 0.12 C ATOM 888 CD2 PHE A 105 -4.998 -0.969 0.674 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.719 -0.343 -0.741 1.00 0.13 C ATOM 890 CE2 PHE A 105 -3.864 -0.549 1.340 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.723 -0.236 0.629 1.00 0.14 C ATOM 0 H PHE A 105 -7.952 -2.276 -3.062 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.148 -1.898 -3.259 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.789 -0.662 -1.776 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.870 -2.092 -0.767 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.843 -0.849 -2.479 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -5.888 -1.212 1.235 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.828 -0.097 -1.300 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -3.870 -0.465 2.417 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.835 0.092 1.149 1.00 0.14 H new ATOM 901 N CYS A 106 -6.237 -4.689 -1.902 1.00 0.13 N ATOM 902 CA CYS A 106 -5.826 -6.036 -1.523 1.00 0.15 C ATOM 903 C CYS A 106 -5.046 -6.659 -2.659 1.00 0.15 C ATOM 904 O CYS A 106 -3.978 -7.241 -2.457 1.00 0.16 O ATOM 905 CB CYS A 106 -7.041 -6.905 -1.190 1.00 0.19 C ATOM 906 SG CYS A 106 -6.625 -8.617 -0.780 1.00 0.29 S ATOM 0 H CYS A 106 -7.246 -4.541 -1.905 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.199 -5.973 -0.634 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.575 -6.460 -0.351 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.723 -6.900 -2.040 1.00 0.19 H new ATOM 0 HG CYS A 106 -6.317 -8.699 0.480 1.00 0.29 H new ATOM 912 N ASN A 107 -5.599 -6.515 -3.850 1.00 0.14 N ATOM 913 CA ASN A 107 -4.971 -6.969 -5.075 1.00 0.16 C ATOM 914 C ASN A 107 -3.570 -6.404 -5.186 1.00 0.15 C ATOM 915 O ASN A 107 -2.591 -7.139 -5.212 1.00 0.17 O ATOM 916 CB ASN A 107 -5.796 -6.491 -6.266 1.00 0.18 C ATOM 917 CG ASN A 107 -6.205 -7.619 -7.193 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.515 -8.632 -7.304 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.334 -7.453 -7.867 1.00 0.34 N ATOM 0 H ASN A 107 -6.507 -6.074 -3.994 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.918 -8.058 -5.065 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.690 -5.985 -5.902 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.220 -5.756 -6.829 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.659 -8.180 -8.505 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.878 -6.599 -7.748 1.00 0.34 H new ATOM 926 N ILE A 108 -3.502 -5.085 -5.163 1.00 0.13 N ATOM 927 CA ILE A 108 -2.274 -4.341 -5.366 1.00 0.13 C ATOM 928 C ILE A 108 -1.256 -4.665 -4.281 1.00 0.11 C ATOM 929 O ILE A 108 -0.071 -4.851 -4.551 1.00 0.12 O ATOM 930 CB ILE A 108 -2.622 -2.842 -5.342 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.369 -2.462 -6.617 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.394 -1.972 -5.144 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.142 -1.171 -6.496 1.00 0.17 C ATOM 0 H ILE A 108 -4.315 -4.491 -5.000 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.828 -4.614 -6.322 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.271 -2.662 -4.485 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.655 -2.374 -7.435 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.057 -3.266 -6.880 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.689 -0.923 -5.134 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -0.918 -2.224 -4.196 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.691 -2.143 -5.960 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.649 -0.961 -7.438 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -4.880 -1.262 -5.699 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.456 -0.357 -6.264 1.00 0.17 H new ATOM 945 N LEU A 109 -1.746 -4.735 -3.062 1.00 0.09 N ATOM 946 CA LEU A 109 -0.940 -5.072 -1.905 1.00 0.08 C ATOM 947 C LEU A 109 -0.326 -6.446 -2.029 1.00 0.09 C ATOM 948 O LEU A 109 0.882 -6.620 -1.892 1.00 0.10 O ATOM 949 CB LEU A 109 -1.810 -5.022 -0.676 1.00 0.08 C ATOM 950 CG LEU A 109 -1.793 -3.679 0.027 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.799 -3.655 1.138 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.413 -3.386 0.562 1.00 0.07 C ATOM 0 H LEU A 109 -2.726 -4.558 -2.842 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.126 -4.351 -1.833 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.835 -5.262 -0.957 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.482 -5.792 0.022 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.058 -2.907 -0.695 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.773 -2.683 1.632 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.795 -3.828 0.731 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.562 -4.436 1.861 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.415 -2.419 1.064 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.125 -4.162 1.271 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.300 -3.365 -0.262 1.00 0.07 H new ATOM 964 N SER A 110 -1.171 -7.413 -2.288 1.00 0.10 N ATOM 965 CA SER A 110 -0.735 -8.780 -2.443 1.00 0.12 C ATOM 966 C SER A 110 0.250 -8.880 -3.604 1.00 0.12 C ATOM 967 O SER A 110 1.211 -9.648 -3.558 1.00 0.14 O ATOM 968 CB SER A 110 -1.945 -9.661 -2.668 1.00 0.15 C ATOM 969 OG SER A 110 -2.861 -9.547 -1.587 1.00 1.15 O ATOM 0 H SER A 110 -2.176 -7.277 -2.397 1.00 0.10 H new ATOM 0 HA SER A 110 -0.223 -9.117 -1.542 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.437 -9.379 -3.599 1.00 0.15 H new ATOM 0 HB3 SER A 110 -1.630 -10.699 -2.775 1.00 0.15 H new ATOM 0 HG SER A 110 -3.494 -8.821 -1.769 1.00 1.15 H new ATOM 975 N ARG A 111 0.003 -8.076 -4.632 1.00 0.11 N ATOM 976 CA ARG A 111 0.904 -7.957 -5.760 1.00 0.12 C ATOM 977 C ARG A 111 2.277 -7.488 -5.308 1.00 0.11 C ATOM 978 O ARG A 111 3.276 -8.177 -5.503 1.00 0.13 O ATOM 979 CB ARG A 111 0.342 -6.954 -6.758 1.00 0.16 C ATOM 980 CG ARG A 111 -0.898 -7.427 -7.480 1.00 0.26 C ATOM 981 CD ARG A 111 -0.637 -8.672 -8.300 1.00 0.99 C ATOM 982 NE ARG A 111 -1.871 -9.221 -8.855 1.00 1.81 N ATOM 983 CZ ARG A 111 -2.252 -9.074 -10.122 1.00 2.57 C ATOM 984 NH1 ARG A 111 -1.481 -8.416 -10.979 1.00 2.67 N ATOM 985 NH2 ARG A 111 -3.403 -9.595 -10.535 1.00 3.55 N ATOM 0 H ARG A 111 -0.829 -7.490 -4.702 1.00 0.11 H new ATOM 0 HA ARG A 111 1.001 -8.938 -6.226 1.00 0.12 H new ATOM 0 HB2 ARG A 111 0.112 -6.027 -6.234 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.111 -6.721 -7.494 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -1.685 -7.630 -6.754 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.263 -6.633 -8.132 1.00 0.26 H new ATOM 0 HD2 ARG A 111 0.053 -8.436 -9.110 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -0.152 -9.423 -7.677 1.00 0.99 H new ATOM 0 HE ARG A 111 -2.480 -9.751 -8.232 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -0.594 -8.021 -10.667 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -1.776 -8.305 -11.949 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -3.995 -10.108 -9.881 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -3.695 -9.482 -11.506 1.00 3.55 H new ATOM 999 N VAL A 112 2.313 -6.325 -4.671 1.00 0.10 N ATOM 1000 CA VAL A 112 3.576 -5.696 -4.326 1.00 0.10 C ATOM 1001 C VAL A 112 4.317 -6.463 -3.256 1.00 0.11 C ATOM 1002 O VAL A 112 5.505 -6.672 -3.379 1.00 0.12 O ATOM 1003 CB VAL A 112 3.420 -4.232 -3.864 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.149 -3.326 -5.041 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.325 -4.076 -2.832 1.00 0.10 C ATOM 0 H VAL A 112 1.485 -5.802 -4.385 1.00 0.10 H new ATOM 0 HA VAL A 112 4.153 -5.706 -5.251 1.00 0.10 H new ATOM 0 HB VAL A 112 4.362 -3.944 -3.398 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.042 -2.299 -4.692 1.00 0.11 H new ATOM 0 HG12 VAL A 112 3.979 -3.386 -5.745 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.230 -3.638 -5.536 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.251 -3.030 -2.536 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.375 -4.401 -3.257 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.559 -4.685 -1.959 1.00 0.10 H new ATOM 1015 N LEU A 113 3.617 -6.875 -2.217 1.00 0.10 N ATOM 1016 CA LEU A 113 4.232 -7.617 -1.126 1.00 0.11 C ATOM 1017 C LEU A 113 4.932 -8.866 -1.630 1.00 0.12 C ATOM 1018 O LEU A 113 6.112 -9.093 -1.361 1.00 0.14 O ATOM 1019 CB LEU A 113 3.159 -7.991 -0.114 1.00 0.11 C ATOM 1020 CG LEU A 113 3.062 -7.031 1.049 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.641 -6.529 1.207 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.546 -7.705 2.313 1.00 0.28 C ATOM 0 H LEU A 113 2.617 -6.709 -2.102 1.00 0.10 H new ATOM 0 HA LEU A 113 4.985 -6.985 -0.655 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.194 -8.035 -0.619 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.364 -8.991 0.268 1.00 0.11 H new ATOM 0 HG LEU A 113 3.699 -6.168 0.853 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.590 -5.839 2.049 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.334 -6.014 0.297 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.975 -7.373 1.389 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.474 -7.008 3.148 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.930 -8.581 2.517 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.584 -8.013 2.187 1.00 0.28 H new ATOM 1034 N SER A 114 4.186 -9.651 -2.367 1.00 0.13 N ATOM 1035 CA SER A 114 4.686 -10.890 -2.943 1.00 0.15 C ATOM 1036 C SER A 114 5.901 -10.623 -3.823 1.00 0.15 C ATOM 1037 O SER A 114 6.910 -11.326 -3.742 1.00 0.17 O ATOM 1038 CB SER A 114 3.581 -11.580 -3.751 1.00 0.17 C ATOM 1039 OG SER A 114 4.014 -12.830 -4.265 1.00 1.00 O ATOM 0 H SER A 114 3.210 -9.454 -2.589 1.00 0.13 H new ATOM 0 HA SER A 114 4.992 -11.550 -2.132 1.00 0.15 H new ATOM 0 HB2 SER A 114 2.706 -11.729 -3.119 1.00 0.17 H new ATOM 0 HB3 SER A 114 3.273 -10.934 -4.574 1.00 0.17 H new ATOM 0 HG SER A 114 3.286 -13.244 -4.774 1.00 1.00 H new ATOM 1045 N ARG A 115 5.807 -9.587 -4.641 1.00 0.13 N ATOM 1046 CA ARG A 115 6.904 -9.192 -5.502 1.00 0.14 C ATOM 1047 C ARG A 115 8.069 -8.655 -4.684 1.00 0.14 C ATOM 1048 O ARG A 115 9.222 -8.954 -4.958 1.00 0.18 O ATOM 1049 CB ARG A 115 6.419 -8.116 -6.465 1.00 0.17 C ATOM 1050 CG ARG A 115 5.459 -8.618 -7.522 1.00 0.24 C ATOM 1051 CD ARG A 115 5.030 -7.481 -8.425 1.00 0.35 C ATOM 1052 NE ARG A 115 4.194 -7.928 -9.539 1.00 0.84 N ATOM 1053 CZ ARG A 115 4.044 -7.249 -10.679 1.00 1.19 C ATOM 1054 NH1 ARG A 115 4.731 -6.132 -10.889 1.00 1.20 N ATOM 1055 NH2 ARG A 115 3.210 -7.695 -11.609 1.00 1.83 N ATOM 0 H ARG A 115 4.975 -9.003 -4.725 1.00 0.13 H new ATOM 0 HA ARG A 115 7.248 -10.065 -6.056 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.932 -7.325 -5.894 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.282 -7.668 -6.957 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.935 -9.401 -8.113 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.585 -9.064 -7.047 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.482 -6.744 -7.838 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.915 -6.981 -8.818 1.00 0.35 H new ATOM 0 HE ARG A 115 3.695 -8.812 -9.439 1.00 0.84 H new ATOM 0 HH11 ARG A 115 5.377 -5.789 -10.178 1.00 1.20 H new ATOM 0 HH12 ARG A 115 4.613 -5.617 -11.761 1.00 1.20 H new ATOM 0 HH21 ARG A 115 2.685 -8.555 -11.453 1.00 1.83 H new ATOM 0 HH22 ARG A 115 3.094 -7.178 -12.480 1.00 1.83 H new ATOM 1069 N ALA A 116 7.740 -7.870 -3.675 1.00 0.13 N ATOM 1070 CA ALA A 116 8.737 -7.161 -2.873 1.00 0.14 C ATOM 1071 C ALA A 116 9.588 -8.110 -2.041 1.00 0.16 C ATOM 1072 O ALA A 116 10.780 -7.890 -1.874 1.00 0.18 O ATOM 1073 CB ALA A 116 8.056 -6.136 -1.989 1.00 0.15 C ATOM 0 H ALA A 116 6.777 -7.702 -3.383 1.00 0.13 H new ATOM 0 HA ALA A 116 9.412 -6.651 -3.560 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.805 -5.613 -1.395 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.519 -5.419 -2.610 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.353 -6.638 -1.325 1.00 0.15 H new ATOM 1079 N ARG A 117 8.977 -9.160 -1.513 1.00 0.19 N ATOM 1080 CA ARG A 117 9.722 -10.145 -0.739 1.00 0.24 C ATOM 1081 C ARG A 117 10.642 -10.948 -1.636 1.00 0.26 C ATOM 1082 O ARG A 117 11.671 -11.465 -1.202 1.00 0.32 O ATOM 1083 CB ARG A 117 8.792 -11.084 0.014 1.00 0.28 C ATOM 1084 CG ARG A 117 8.374 -10.538 1.358 1.00 0.61 C ATOM 1085 CD ARG A 117 6.913 -10.150 1.369 1.00 0.34 C ATOM 1086 NE ARG A 117 6.045 -11.320 1.222 1.00 1.22 N ATOM 1087 CZ ARG A 117 4.963 -11.550 1.966 1.00 1.38 C ATOM 1088 NH1 ARG A 117 4.628 -10.715 2.943 1.00 1.30 N ATOM 1089 NH2 ARG A 117 4.230 -12.634 1.752 1.00 2.33 N ATOM 0 H ARG A 117 7.979 -9.352 -1.604 1.00 0.19 H new ATOM 0 HA ARG A 117 10.320 -9.598 -0.010 1.00 0.24 H new ATOM 0 HB2 ARG A 117 7.904 -11.270 -0.590 1.00 0.28 H new ATOM 0 HB3 ARG A 117 9.288 -12.044 0.155 1.00 0.28 H new ATOM 0 HG2 ARG A 117 8.559 -11.286 2.129 1.00 0.61 H new ATOM 0 HG3 ARG A 117 8.984 -9.669 1.604 1.00 0.61 H new ATOM 0 HD2 ARG A 117 6.679 -9.637 2.302 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.716 -9.446 0.560 1.00 0.34 H new ATOM 0 HE ARG A 117 6.284 -12.004 0.504 1.00 1.22 H new ATOM 0 HH11 ARG A 117 5.200 -9.891 3.128 1.00 1.30 H new ATOM 0 HH12 ARG A 117 3.799 -10.898 3.508 1.00 1.30 H new ATOM 0 HH21 ARG A 117 4.494 -13.292 1.018 1.00 2.33 H new ATOM 0 HH22 ARG A 117 3.402 -12.810 2.321 1.00 2.33 H new ATOM 1103 N SER A 118 10.251 -11.051 -2.886 1.00 0.26 N ATOM 1104 CA SER A 118 11.017 -11.775 -3.877 1.00 0.31 C ATOM 1105 C SER A 118 12.056 -10.867 -4.512 1.00 0.28 C ATOM 1106 O SER A 118 13.127 -11.310 -4.935 1.00 0.32 O ATOM 1107 CB SER A 118 10.070 -12.303 -4.936 1.00 0.37 C ATOM 1108 OG SER A 118 10.373 -13.644 -5.285 1.00 0.68 O ATOM 0 H SER A 118 9.392 -10.635 -3.245 1.00 0.26 H new ATOM 0 HA SER A 118 11.538 -12.605 -3.399 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.045 -12.244 -4.570 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.128 -11.673 -5.824 1.00 0.37 H new ATOM 0 HG SER A 118 9.743 -13.954 -5.968 1.00 0.68 H new ATOM 1114 N ARG A 119 11.722 -9.595 -4.570 1.00 0.23 N ATOM 1115 CA ARG A 119 12.568 -8.596 -5.166 1.00 0.20 C ATOM 1116 C ARG A 119 12.603 -7.343 -4.320 1.00 0.18 C ATOM 1117 O ARG A 119 12.002 -6.323 -4.662 1.00 0.17 O ATOM 1118 CB ARG A 119 12.059 -8.278 -6.555 1.00 0.25 C ATOM 1119 CG ARG A 119 12.614 -9.218 -7.584 1.00 0.33 C ATOM 1120 CD ARG A 119 14.060 -8.870 -7.884 1.00 0.33 C ATOM 1121 NE ARG A 119 14.773 -9.967 -8.532 1.00 0.55 N ATOM 1122 CZ ARG A 119 16.091 -9.988 -8.729 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.835 -8.953 -8.366 1.00 1.48 N ATOM 1124 NH2 ARG A 119 16.664 -11.045 -9.290 1.00 1.19 N ATOM 0 H ARG A 119 10.846 -9.227 -4.200 1.00 0.23 H new ATOM 0 HA ARG A 119 13.585 -8.984 -5.229 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.970 -8.332 -6.564 1.00 0.25 H new ATOM 0 HB3 ARG A 119 12.329 -7.255 -6.815 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.546 -10.245 -7.224 1.00 0.33 H new ATOM 0 HG3 ARG A 119 12.021 -9.161 -8.497 1.00 0.33 H new ATOM 0 HD2 ARG A 119 14.093 -7.989 -8.525 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.568 -8.608 -6.956 1.00 0.33 H new ATOM 0 HE ARG A 119 14.229 -10.767 -8.854 1.00 0.55 H new ATOM 0 HH11 ARG A 119 16.399 -8.138 -7.935 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.843 -8.972 -8.518 1.00 1.48 H new ATOM 0 HH21 ARG A 119 16.096 -11.844 -9.572 1.00 1.19 H new ATOM 0 HH22 ARG A 119 17.673 -11.059 -9.440 1.00 1.19 H new ATOM 1138 N PRO A 120 13.322 -7.409 -3.204 1.00 0.19 N ATOM 1139 CA PRO A 120 13.471 -6.284 -2.288 1.00 0.19 C ATOM 1140 C PRO A 120 14.253 -5.123 -2.902 1.00 0.20 C ATOM 1141 O PRO A 120 14.310 -4.031 -2.337 1.00 0.21 O ATOM 1142 CB PRO A 120 14.231 -6.899 -1.121 1.00 0.23 C ATOM 1143 CG PRO A 120 14.984 -8.014 -1.733 1.00 0.25 C ATOM 1144 CD PRO A 120 14.032 -8.603 -2.717 1.00 0.22 C ATOM 0 HA PRO A 120 12.513 -5.845 -2.010 1.00 0.19 H new ATOM 0 HB2 PRO A 120 14.899 -6.175 -0.654 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.552 -7.254 -0.345 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.892 -7.660 -2.221 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.288 -8.747 -0.985 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.548 -9.128 -3.521 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.355 -9.320 -2.252 1.00 0.22 H new ATOM 1152 N ALA A 121 14.866 -5.360 -4.060 1.00 0.20 N ATOM 1153 CA ALA A 121 15.514 -4.285 -4.807 1.00 0.22 C ATOM 1154 C ALA A 121 14.457 -3.472 -5.520 1.00 0.19 C ATOM 1155 O ALA A 121 14.547 -2.251 -5.641 1.00 0.21 O ATOM 1156 CB ALA A 121 16.496 -4.841 -5.818 1.00 0.25 C ATOM 0 H ALA A 121 14.927 -6.279 -4.498 1.00 0.20 H new ATOM 0 HA ALA A 121 16.065 -3.655 -4.108 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.964 -4.020 -6.360 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.263 -5.418 -5.301 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.969 -5.486 -6.521 1.00 0.25 H new ATOM 1162 N LYS A 122 13.440 -4.183 -5.970 1.00 0.16 N ATOM 1163 CA LYS A 122 12.323 -3.579 -6.655 1.00 0.16 C ATOM 1164 C LYS A 122 11.295 -3.071 -5.674 1.00 0.11 C ATOM 1165 O LYS A 122 10.231 -2.624 -6.083 1.00 0.11 O ATOM 1166 CB LYS A 122 11.661 -4.562 -7.596 1.00 0.20 C ATOM 1167 CG LYS A 122 12.446 -4.827 -8.857 1.00 0.27 C ATOM 1168 CD LYS A 122 11.537 -5.392 -9.918 1.00 0.41 C ATOM 1169 CE LYS A 122 10.509 -4.378 -10.365 1.00 0.79 C ATOM 1170 NZ LYS A 122 11.114 -3.321 -11.216 1.00 1.07 N ATOM 0 H LYS A 122 13.369 -5.195 -5.869 1.00 0.16 H new ATOM 0 HA LYS A 122 12.717 -2.742 -7.231 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.507 -5.505 -7.071 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.675 -4.183 -7.866 1.00 0.20 H new ATOM 0 HG2 LYS A 122 12.903 -3.903 -9.212 1.00 0.27 H new ATOM 0 HG3 LYS A 122 13.257 -5.526 -8.651 1.00 0.27 H new ATOM 0 HD2 LYS A 122 12.131 -5.712 -10.775 1.00 0.41 H new ATOM 0 HD3 LYS A 122 11.032 -6.278 -9.532 1.00 0.41 H new ATOM 0 HE2 LYS A 122 9.717 -4.882 -10.919 1.00 0.79 H new ATOM 0 HE3 LYS A 122 10.045 -3.921 -9.491 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 10.436 -2.541 -11.335 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 11.978 -2.962 -10.762 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 11.352 -3.719 -12.147 1.00 1.07 H new ATOM 1184 N LEU A 123 11.582 -3.164 -4.383 1.00 0.10 N ATOM 1185 CA LEU A 123 10.691 -2.645 -3.373 1.00 0.08 C ATOM 1186 C LEU A 123 10.212 -1.247 -3.722 1.00 0.08 C ATOM 1187 O LEU A 123 9.026 -1.017 -3.761 1.00 0.13 O ATOM 1188 CB LEU A 123 11.387 -2.639 -2.028 1.00 0.12 C ATOM 1189 CG LEU A 123 10.541 -2.110 -0.889 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.336 -2.995 -0.676 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.356 -2.000 0.375 1.00 0.23 C ATOM 0 H LEU A 123 12.430 -3.597 -4.017 1.00 0.10 H new ATOM 0 HA LEU A 123 9.817 -3.294 -3.325 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.700 -3.655 -1.790 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.292 -2.036 -2.103 1.00 0.12 H new ATOM 0 HG LEU A 123 10.192 -1.111 -1.152 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.737 -2.603 0.146 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.735 -3.016 -1.585 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.665 -4.006 -0.435 1.00 0.12 H new ATOM 0 HD21 LEU A 123 10.729 -1.618 1.180 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.738 -2.984 0.648 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.191 -1.319 0.211 1.00 0.23 H new ATOM 1203 N TYR A 124 11.134 -0.314 -3.947 1.00 0.11 N ATOM 1204 CA TYR A 124 10.783 1.016 -4.406 1.00 0.10 C ATOM 1205 C TYR A 124 9.778 1.039 -5.532 1.00 0.11 C ATOM 1206 O TYR A 124 8.958 1.934 -5.598 1.00 0.14 O ATOM 1207 CB TYR A 124 12.026 1.724 -4.848 1.00 0.14 C ATOM 1208 CG TYR A 124 12.234 2.942 -4.038 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.285 2.822 -2.676 1.00 0.33 C ATOM 1210 CD2 TYR A 124 12.367 4.190 -4.610 1.00 1.30 C ATOM 1211 CE1 TYR A 124 12.465 3.900 -1.883 1.00 0.74 C ATOM 1212 CE2 TYR A 124 12.551 5.301 -3.824 1.00 1.74 C ATOM 1213 CZ TYR A 124 12.601 5.156 -2.453 1.00 1.45 C ATOM 1214 OH TYR A 124 12.778 6.261 -1.659 1.00 1.89 O ATOM 0 H TYR A 124 12.135 -0.462 -3.816 1.00 0.11 H new ATOM 0 HA TYR A 124 10.309 1.516 -3.561 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.886 1.061 -4.749 1.00 0.14 H new ATOM 0 HB3 TYR A 124 11.947 1.989 -5.902 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.179 1.846 -2.226 1.00 0.33 H new ATOM 0 HD2 TYR A 124 12.326 4.294 -5.684 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.503 3.784 -0.810 1.00 0.74 H new ATOM 0 HE2 TYR A 124 12.655 6.277 -4.274 1.00 1.74 H new ATOM 0 HH TYR A 124 12.857 7.059 -2.222 1.00 1.89 H new ATOM 1224 N VAL A 125 9.815 0.057 -6.388 1.00 0.10 N ATOM 1225 CA VAL A 125 8.877 -0.010 -7.483 1.00 0.12 C ATOM 1226 C VAL A 125 7.486 -0.205 -6.908 1.00 0.11 C ATOM 1227 O VAL A 125 6.520 0.451 -7.277 1.00 0.14 O ATOM 1228 CB VAL A 125 9.208 -1.209 -8.371 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.338 -1.221 -9.594 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.682 -1.218 -8.730 1.00 0.18 C ATOM 0 H VAL A 125 10.484 -0.712 -6.352 1.00 0.10 H new ATOM 0 HA VAL A 125 8.930 0.906 -8.071 1.00 0.12 H new ATOM 0 HB VAL A 125 9.000 -2.122 -7.813 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.591 -2.083 -10.212 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.292 -1.283 -9.295 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.499 -0.306 -10.164 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.897 -2.079 -9.362 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.931 -0.303 -9.266 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.278 -1.279 -7.819 1.00 0.18 H new ATOM 1240 N TYR A 126 7.455 -1.115 -5.965 1.00 0.07 N ATOM 1241 CA TYR A 126 6.268 -1.532 -5.250 1.00 0.08 C ATOM 1242 C TYR A 126 5.839 -0.461 -4.247 1.00 0.08 C ATOM 1243 O TYR A 126 4.649 -0.206 -4.064 1.00 0.10 O ATOM 1244 CB TYR A 126 6.633 -2.862 -4.585 1.00 0.11 C ATOM 1245 CG TYR A 126 7.195 -3.839 -5.591 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.701 -3.877 -6.891 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.250 -4.673 -5.267 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.236 -4.723 -7.834 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.798 -5.523 -6.214 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.283 -5.543 -7.493 1.00 0.28 C ATOM 1251 OH TYR A 126 8.821 -6.382 -8.441 1.00 0.36 O ATOM 0 H TYR A 126 8.294 -1.609 -5.659 1.00 0.07 H new ATOM 0 HA TYR A 126 5.409 -1.665 -5.908 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.364 -2.688 -3.795 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.749 -3.290 -4.113 1.00 0.11 H new ATOM 0 HD1 TYR A 126 5.881 -3.229 -7.165 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.651 -4.661 -4.264 1.00 0.21 H new ATOM 0 HE1 TYR A 126 6.835 -4.742 -8.837 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.625 -6.167 -5.952 1.00 0.27 H new ATOM 0 HH TYR A 126 9.555 -6.896 -8.044 1.00 0.36 H new ATOM 1261 N ILE A 127 6.819 0.162 -3.608 1.00 0.08 N ATOM 1262 CA ILE A 127 6.595 1.316 -2.758 1.00 0.11 C ATOM 1263 C ILE A 127 5.967 2.430 -3.560 1.00 0.12 C ATOM 1264 O ILE A 127 4.887 2.915 -3.230 1.00 0.14 O ATOM 1265 CB ILE A 127 7.923 1.821 -2.154 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.485 0.789 -1.199 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.732 3.145 -1.430 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.929 1.043 -0.860 1.00 0.13 C ATOM 0 H ILE A 127 7.797 -0.123 -3.667 1.00 0.08 H new ATOM 0 HA ILE A 127 5.928 1.016 -1.950 1.00 0.11 H new ATOM 0 HB ILE A 127 8.626 1.979 -2.972 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.895 0.787 -0.283 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.388 -0.202 -1.642 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.685 3.474 -1.016 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.363 3.893 -2.131 1.00 0.12 H new ATOM 0 HG23 ILE A 127 7.010 3.018 -0.623 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.282 0.274 -0.172 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.527 1.017 -1.771 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.026 2.022 -0.390 1.00 0.13 H new ATOM 1280 N ASN A 128 6.650 2.814 -4.629 1.00 0.12 N ATOM 1281 CA ASN A 128 6.158 3.873 -5.501 1.00 0.15 C ATOM 1282 C ASN A 128 4.801 3.496 -6.077 1.00 0.12 C ATOM 1283 O ASN A 128 3.924 4.347 -6.196 1.00 0.12 O ATOM 1284 CB ASN A 128 7.137 4.153 -6.642 1.00 0.20 C ATOM 1285 CG ASN A 128 8.458 4.793 -6.218 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.898 4.546 -4.989 1.00 0.82 O flip ATOM 1287 ND2 ASN A 128 9.074 5.524 -6.993 1.00 0.42 N flip ATOM 0 H ASN A 128 7.543 2.411 -4.913 1.00 0.12 H new ATOM 0 HA ASN A 128 6.060 4.777 -4.900 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.353 3.215 -7.154 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.650 4.806 -7.366 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.711 5.695 -7.931 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.948 5.959 -6.698 1.00 0.42 H new ATOM 1294 N GLU A 129 4.635 2.223 -6.434 1.00 0.11 N ATOM 1295 CA GLU A 129 3.362 1.712 -6.917 1.00 0.10 C ATOM 1296 C GLU A 129 2.244 2.003 -5.944 1.00 0.09 C ATOM 1297 O GLU A 129 1.292 2.696 -6.268 1.00 0.14 O ATOM 1298 CB GLU A 129 3.440 0.211 -7.088 1.00 0.14 C ATOM 1299 CG GLU A 129 2.823 -0.276 -8.368 1.00 0.26 C ATOM 1300 CD GLU A 129 1.401 0.197 -8.597 1.00 1.41 C ATOM 1301 OE1 GLU A 129 0.470 -0.495 -8.137 1.00 1.55 O ATOM 1302 OE2 GLU A 129 1.209 1.234 -9.266 1.00 2.29 O ATOM 0 H GLU A 129 5.377 1.524 -6.395 1.00 0.11 H new ATOM 0 HA GLU A 129 3.157 2.205 -7.867 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.485 -0.097 -7.057 1.00 0.14 H new ATOM 0 HB3 GLU A 129 2.941 -0.270 -6.247 1.00 0.14 H new ATOM 0 HG2 GLU A 129 3.441 0.053 -9.203 1.00 0.26 H new ATOM 0 HG3 GLU A 129 2.836 -1.366 -8.372 1.00 0.26 H new ATOM 1309 N LEU A 130 2.405 1.494 -4.742 1.00 0.07 N ATOM 1310 CA LEU A 130 1.382 1.553 -3.728 1.00 0.08 C ATOM 1311 C LEU A 130 1.120 2.998 -3.362 1.00 0.09 C ATOM 1312 O LEU A 130 -0.019 3.413 -3.195 1.00 0.10 O ATOM 1313 CB LEU A 130 1.836 0.774 -2.506 1.00 0.08 C ATOM 1314 CG LEU A 130 0.707 0.162 -1.697 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.053 -0.965 -2.466 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.224 -0.326 -0.360 1.00 0.08 C ATOM 0 H LEU A 130 3.259 1.024 -4.441 1.00 0.07 H new ATOM 0 HA LEU A 130 0.460 1.111 -4.106 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.509 -0.021 -2.827 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.411 1.438 -1.860 1.00 0.08 H new ATOM 0 HG LEU A 130 -0.047 0.928 -1.514 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.754 -1.392 -1.870 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.351 -0.580 -3.402 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.793 -1.736 -2.680 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.404 -0.763 0.210 1.00 0.08 H new ATOM 0 HD22 LEU A 130 1.995 -1.079 -0.521 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.646 0.512 0.195 1.00 0.08 H new ATOM 1328 N CYS A 131 2.195 3.760 -3.271 1.00 0.11 N ATOM 1329 CA CYS A 131 2.120 5.173 -3.004 1.00 0.13 C ATOM 1330 C CYS A 131 1.329 5.887 -4.105 1.00 0.13 C ATOM 1331 O CYS A 131 0.502 6.759 -3.828 1.00 0.14 O ATOM 1332 CB CYS A 131 3.543 5.708 -2.905 1.00 0.18 C ATOM 1333 SG CYS A 131 4.415 5.203 -1.405 1.00 1.39 S ATOM 0 H CYS A 131 3.146 3.408 -3.382 1.00 0.11 H new ATOM 0 HA CYS A 131 1.595 5.356 -2.067 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.109 5.370 -3.773 1.00 0.18 H new ATOM 0 HB3 CYS A 131 3.515 6.797 -2.947 1.00 0.18 H new ATOM 0 HG CYS A 131 4.973 4.045 -1.597 1.00 1.39 H new ATOM 1339 N THR A 132 1.591 5.502 -5.350 1.00 0.12 N ATOM 1340 CA THR A 132 0.860 6.032 -6.497 1.00 0.14 C ATOM 1341 C THR A 132 -0.594 5.567 -6.453 1.00 0.11 C ATOM 1342 O THR A 132 -1.515 6.352 -6.654 1.00 0.15 O ATOM 1343 CB THR A 132 1.512 5.594 -7.825 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.867 6.061 -7.880 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.743 6.132 -9.019 1.00 0.24 C ATOM 0 H THR A 132 2.310 4.820 -5.592 1.00 0.12 H new ATOM 0 HA THR A 132 0.893 7.120 -6.444 1.00 0.14 H new ATOM 0 HB THR A 132 1.494 4.505 -7.866 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.463 5.381 -7.503 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.227 5.807 -9.940 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.279 5.755 -8.993 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.729 7.221 -8.982 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.772 4.284 -6.190 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.077 3.680 -5.947 1.00 0.07 C ATOM 1355 C VAL A 133 -2.907 4.487 -4.951 1.00 0.07 C ATOM 1356 O VAL A 133 -4.076 4.796 -5.192 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.874 2.257 -5.408 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.115 1.713 -4.738 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.434 1.334 -6.524 1.00 0.10 C ATOM 0 H VAL A 133 -0.001 3.618 -6.138 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.622 3.662 -6.891 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.094 2.307 -4.648 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.920 0.704 -4.374 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.387 2.355 -3.900 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.935 1.687 -5.456 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.293 0.328 -6.130 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.197 1.315 -7.303 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.495 1.694 -6.945 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.286 4.834 -3.844 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.957 5.559 -2.776 1.00 0.11 C ATOM 1371 C LEU A 134 -3.194 7.016 -3.172 1.00 0.14 C ATOM 1372 O LEU A 134 -4.151 7.648 -2.727 1.00 0.18 O ATOM 1373 CB LEU A 134 -2.114 5.468 -1.514 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.836 4.042 -1.042 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.759 4.033 0.024 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -3.109 3.396 -0.525 1.00 0.16 C ATOM 0 H LEU A 134 -1.306 4.625 -3.655 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.933 5.111 -2.591 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.163 5.971 -1.690 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.619 6.010 -0.715 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.478 3.461 -1.892 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.575 3.008 0.347 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.160 4.455 -0.383 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -1.085 4.629 0.876 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.893 2.381 -0.193 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.498 3.976 0.312 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.852 3.367 -1.322 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.321 7.531 -4.028 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.468 8.848 -4.594 1.00 0.17 C ATOM 1390 C LYS A 135 -3.623 8.836 -5.576 1.00 0.15 C ATOM 1391 O LYS A 135 -4.338 9.825 -5.749 1.00 0.18 O ATOM 1392 CB LYS A 135 -1.178 9.213 -5.327 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.724 10.631 -5.098 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.789 11.624 -5.506 1.00 0.68 C ATOM 1395 CE LYS A 135 -2.015 11.642 -7.015 1.00 1.32 C ATOM 1396 NZ LYS A 135 -0.770 11.919 -7.780 1.00 1.82 N ATOM 0 H LYS A 135 -1.488 7.036 -4.346 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.665 9.578 -3.809 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.387 8.533 -5.010 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -1.323 9.057 -6.396 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.479 10.771 -4.045 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.187 10.819 -5.665 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.724 11.378 -5.004 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.501 12.621 -5.172 1.00 0.68 H new ATOM 0 HE2 LYS A 135 -2.423 10.681 -7.328 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -2.761 12.399 -7.257 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -1.013 12.171 -8.759 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -0.258 12.708 -7.336 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -0.167 11.072 -7.780 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.806 7.685 -6.196 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.796 7.508 -7.222 1.00 0.14 C ATOM 1412 C ALA A 136 -6.174 7.405 -6.600 1.00 0.16 C ATOM 1413 O ALA A 136 -7.151 7.940 -7.120 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.477 6.248 -8.017 1.00 0.17 C ATOM 0 H ALA A 136 -3.264 6.845 -5.994 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.784 8.367 -7.893 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.226 6.110 -8.797 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.492 6.345 -8.473 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.484 5.386 -7.350 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.236 6.720 -5.468 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.503 6.424 -4.820 1.00 0.23 C ATOM 1422 C HIS A 137 -7.544 7.020 -3.423 1.00 0.24 C ATOM 1423 O HIS A 137 -7.861 6.345 -2.444 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.724 4.912 -4.778 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.485 4.261 -6.103 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -8.040 4.716 -7.273 1.00 0.29 N ATOM 1427 CD2 HIS A 137 -6.688 3.229 -6.446 1.00 0.30 C ATOM 1428 CE1 HIS A 137 -7.587 3.994 -8.277 1.00 0.32 C ATOM 1429 NE2 HIS A 137 -6.767 3.079 -7.803 1.00 0.34 N ATOM 0 H HIS A 137 -5.418 6.357 -4.978 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.309 6.877 -5.397 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -7.059 4.471 -4.035 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.744 4.706 -4.454 1.00 0.24 H new ATOM 0 HD2 HIS A 137 -6.095 2.630 -5.771 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -7.845 4.130 -9.317 1.00 0.32 H new ATOM 0 HE2 HIS A 137 -6.274 2.377 -8.355 1.00 0.34 H new