USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=18 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 92 GLN : amide:sc= -0.648 K(o=-1,f=-5.2!) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.402 X(o=-1,f=-1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.3 K(o=-1.3,f=-8.8!) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0579) USER MOD Single : A 74 CYS SG : rot 71:sc= -1.95 USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= 1.19 (180deg=0.974) USER MOD Single : A 76 MET CE :methyl 173:sc= -3.19! (180deg=-3.57!) USER MOD Single : A 77 GLN : amide:sc= -1.85! C(o=-1.9!,f=-3.6!) USER MOD Single : A 78 THR OG1 : rot -44:sc= 1.26 USER MOD Single : A 81 HIS :FLIP no HD1:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 89 TYR OH : rot 62:sc= 1.27 USER MOD Single : A 90 ASN : amide:sc= -0.449! C(o=-0.45!,f=-11!) USER MOD Single : A 96 HIS : no HD1:sc= -2.65! C(o=-2.6!,f=-8.5!) USER MOD Single : A 97 SER OG : rot 180:sc=0.000321 USER MOD Single : A 102 SER OG : rot -51:sc= 0.782 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0299 K(o=-0.03,f=-0.62) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot -151:sc= 0.372 USER MOD Single : A 126 TYR OH : rot 165:sc= -0.908 USER MOD Single : A 128 ASN : amide:sc= 0.93 K(o=0.93,f=-0.74) USER MOD Single : A 131 CYS SG : rot -123:sc= 0.156 USER MOD Single : A 132 THR OG1 : rot 93:sc= 1.3 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS :FLIP no HE2:sc= 0.107 F(o=-0.79,f=0.11) USER MOD ----------------------------------------------------------------- ATOM 138 N LYS A 60 -10.511 -4.343 4.506 1.00 0.29 N ATOM 139 CA LYS A 60 -9.969 -3.281 5.361 1.00 0.29 C ATOM 140 C LYS A 60 -8.890 -3.825 6.290 1.00 0.25 C ATOM 141 O LYS A 60 -7.766 -3.321 6.311 1.00 0.26 O ATOM 142 CB LYS A 60 -11.114 -2.634 6.163 1.00 0.37 C ATOM 143 CG LYS A 60 -10.680 -1.562 7.154 1.00 0.57 C ATOM 144 CD LYS A 60 -10.230 -2.168 8.462 1.00 0.43 C ATOM 145 CE LYS A 60 -10.082 -1.109 9.520 1.00 0.76 C ATOM 146 NZ LYS A 60 -11.372 -0.793 10.184 1.00 1.62 N ATOM 0 HA LYS A 60 -9.504 -2.522 4.732 1.00 0.29 H new ATOM 0 HB2 LYS A 60 -11.824 -2.194 5.463 1.00 0.37 H new ATOM 0 HB3 LYS A 60 -11.644 -3.416 6.706 1.00 0.37 H new ATOM 0 HG2 LYS A 60 -9.868 -0.976 6.725 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -11.507 -0.876 7.335 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -10.952 -2.916 8.789 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -9.280 -2.683 8.321 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -9.363 -1.443 10.268 1.00 0.76 H new ATOM 0 HE3 LYS A 60 -9.676 -0.203 9.070 1.00 0.76 H new ATOM 0 HZ1 LYS A 60 -11.221 -0.059 10.905 1.00 1.62 H new ATOM 0 HZ2 LYS A 60 -12.052 -0.448 9.476 1.00 1.62 H new ATOM 0 HZ3 LYS A 60 -11.749 -1.650 10.637 1.00 1.62 H new ATOM 160 N LEU A 61 -9.239 -4.853 7.049 1.00 0.25 N ATOM 161 CA LEU A 61 -8.287 -5.525 7.908 1.00 0.25 C ATOM 162 C LEU A 61 -7.092 -6.002 7.117 1.00 0.26 C ATOM 163 O LEU A 61 -5.947 -5.726 7.461 1.00 0.30 O ATOM 164 CB LEU A 61 -8.942 -6.721 8.571 1.00 0.30 C ATOM 165 CG LEU A 61 -9.023 -6.630 10.090 1.00 0.36 C ATOM 166 CD1 LEU A 61 -9.244 -8.002 10.706 1.00 0.66 C ATOM 167 CD2 LEU A 61 -7.777 -5.958 10.662 1.00 0.63 C ATOM 0 H LEU A 61 -10.182 -5.239 7.084 1.00 0.25 H new ATOM 0 HA LEU A 61 -7.955 -4.813 8.664 1.00 0.25 H new ATOM 0 HB2 LEU A 61 -9.950 -6.836 8.171 1.00 0.30 H new ATOM 0 HB3 LEU A 61 -8.387 -7.620 8.302 1.00 0.30 H new ATOM 0 HG LEU A 61 -9.882 -6.010 10.347 1.00 0.36 H new ATOM 0 HD11 LEU A 61 -9.298 -7.909 11.791 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -10.177 -8.423 10.331 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -8.416 -8.658 10.439 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -7.858 -5.905 11.748 1.00 0.63 H new ATOM 0 HD22 LEU A 61 -6.894 -6.538 10.392 1.00 0.63 H new ATOM 0 HD23 LEU A 61 -7.687 -4.951 10.255 1.00 0.63 H new ATOM 179 N GLU A 62 -7.395 -6.715 6.056 1.00 0.25 N ATOM 180 CA GLU A 62 -6.408 -7.256 5.172 1.00 0.29 C ATOM 181 C GLU A 62 -5.453 -6.201 4.663 1.00 0.23 C ATOM 182 O GLU A 62 -4.250 -6.342 4.792 1.00 0.20 O ATOM 183 CB GLU A 62 -7.130 -7.921 4.034 1.00 0.39 C ATOM 184 CG GLU A 62 -7.174 -9.405 4.211 1.00 0.63 C ATOM 185 CD GLU A 62 -7.876 -9.821 5.481 1.00 1.48 C ATOM 186 OE1 GLU A 62 -9.118 -9.732 5.537 1.00 1.98 O ATOM 187 OE2 GLU A 62 -7.183 -10.253 6.427 1.00 2.20 O ATOM 0 H GLU A 62 -8.354 -6.935 5.785 1.00 0.25 H new ATOM 0 HA GLU A 62 -5.796 -7.977 5.714 1.00 0.29 H new ATOM 0 HB2 GLU A 62 -8.145 -7.530 3.967 1.00 0.39 H new ATOM 0 HB3 GLU A 62 -6.633 -7.679 3.094 1.00 0.39 H new ATOM 0 HG2 GLU A 62 -7.681 -9.853 3.357 1.00 0.63 H new ATOM 0 HG3 GLU A 62 -6.157 -9.796 4.219 1.00 0.63 H new ATOM 194 N ASN A 63 -5.997 -5.141 4.109 1.00 0.22 N ATOM 195 CA ASN A 63 -5.206 -4.094 3.505 1.00 0.19 C ATOM 196 C ASN A 63 -4.370 -3.356 4.534 1.00 0.15 C ATOM 197 O ASN A 63 -3.202 -3.076 4.289 1.00 0.16 O ATOM 198 CB ASN A 63 -6.117 -3.129 2.761 1.00 0.21 C ATOM 199 CG ASN A 63 -6.722 -3.759 1.525 1.00 0.27 C ATOM 200 OD1 ASN A 63 -6.136 -4.649 0.924 1.00 0.33 O ATOM 201 ND2 ASN A 63 -7.903 -3.305 1.143 1.00 0.27 N ATOM 0 H ASN A 63 -7.003 -4.981 4.065 1.00 0.22 H new ATOM 0 HA ASN A 63 -4.514 -4.554 2.799 1.00 0.19 H new ATOM 0 HB2 ASN A 63 -6.914 -2.797 3.426 1.00 0.21 H new ATOM 0 HB3 ASN A 63 -5.550 -2.243 2.476 1.00 0.21 H new ATOM 0 HD21 ASN A 63 -8.359 -3.698 0.320 1.00 0.27 H new ATOM 0 HD22 ASN A 63 -8.359 -2.561 1.672 1.00 0.27 H new ATOM 208 N GLU A 64 -4.961 -3.036 5.680 1.00 0.15 N ATOM 209 CA GLU A 64 -4.202 -2.446 6.766 1.00 0.16 C ATOM 210 C GLU A 64 -3.068 -3.376 7.170 1.00 0.14 C ATOM 211 O GLU A 64 -1.927 -2.949 7.333 1.00 0.17 O ATOM 212 CB GLU A 64 -5.096 -2.162 7.970 1.00 0.21 C ATOM 213 CG GLU A 64 -5.975 -0.937 7.810 1.00 0.30 C ATOM 214 CD GLU A 64 -6.369 -0.347 9.148 1.00 1.20 C ATOM 215 OE1 GLU A 64 -7.127 -1.003 9.891 1.00 1.75 O ATOM 216 OE2 GLU A 64 -5.945 0.785 9.458 1.00 1.77 O ATOM 0 H GLU A 64 -5.952 -3.175 5.876 1.00 0.15 H new ATOM 0 HA GLU A 64 -3.788 -1.499 6.418 1.00 0.16 H new ATOM 0 HB2 GLU A 64 -5.730 -3.030 8.152 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -4.469 -2.034 8.853 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -5.447 -0.185 7.223 1.00 0.30 H new ATOM 0 HG3 GLU A 64 -6.873 -1.204 7.252 1.00 0.30 H new ATOM 223 N LYS A 65 -3.395 -4.653 7.297 1.00 0.13 N ATOM 224 CA LYS A 65 -2.445 -5.658 7.674 1.00 0.14 C ATOM 225 C LYS A 65 -1.353 -5.806 6.618 1.00 0.12 C ATOM 226 O LYS A 65 -0.167 -5.725 6.930 1.00 0.14 O ATOM 227 CB LYS A 65 -3.168 -6.964 7.910 1.00 0.20 C ATOM 228 CG LYS A 65 -2.294 -8.134 7.660 1.00 0.44 C ATOM 229 CD LYS A 65 -2.354 -9.139 8.781 1.00 0.86 C ATOM 230 CE LYS A 65 -1.455 -10.317 8.482 1.00 1.32 C ATOM 231 NZ LYS A 65 -2.010 -11.186 7.410 1.00 1.93 N ATOM 0 H LYS A 65 -4.337 -5.011 7.138 1.00 0.13 H new ATOM 0 HA LYS A 65 -1.952 -5.357 8.599 1.00 0.14 H new ATOM 0 HB2 LYS A 65 -3.533 -6.996 8.937 1.00 0.20 H new ATOM 0 HB3 LYS A 65 -4.041 -7.018 7.260 1.00 0.20 H new ATOM 0 HG2 LYS A 65 -2.591 -8.614 6.728 1.00 0.44 H new ATOM 0 HG3 LYS A 65 -1.266 -7.796 7.532 1.00 0.44 H new ATOM 0 HD2 LYS A 65 -2.049 -8.669 9.716 1.00 0.86 H new ATOM 0 HD3 LYS A 65 -3.380 -9.482 8.916 1.00 0.86 H new ATOM 0 HE2 LYS A 65 -0.472 -9.955 8.182 1.00 1.32 H new ATOM 0 HE3 LYS A 65 -1.315 -10.905 9.389 1.00 1.32 H new ATOM 0 HZ1 LYS A 65 -1.445 -12.057 7.342 1.00 1.93 H new ATOM 0 HZ2 LYS A 65 -2.996 -11.429 7.636 1.00 1.93 H new ATOM 0 HZ3 LYS A 65 -1.977 -10.680 6.502 1.00 1.93 H new ATOM 245 N LEU A 66 -1.768 -6.011 5.374 1.00 0.11 N ATOM 246 CA LEU A 66 -0.852 -6.145 4.251 1.00 0.10 C ATOM 247 C LEU A 66 0.041 -4.926 4.150 1.00 0.08 C ATOM 248 O LEU A 66 1.245 -5.041 3.930 1.00 0.08 O ATOM 249 CB LEU A 66 -1.639 -6.317 2.952 1.00 0.10 C ATOM 250 CG LEU A 66 -2.454 -7.601 2.851 1.00 0.14 C ATOM 251 CD1 LEU A 66 -3.397 -7.543 1.660 1.00 0.18 C ATOM 252 CD2 LEU A 66 -1.525 -8.792 2.739 1.00 0.17 C ATOM 0 H LEU A 66 -2.752 -6.089 5.116 1.00 0.11 H new ATOM 0 HA LEU A 66 -0.230 -7.025 4.414 1.00 0.10 H new ATOM 0 HB2 LEU A 66 -2.313 -5.468 2.840 1.00 0.10 H new ATOM 0 HB3 LEU A 66 -0.941 -6.282 2.116 1.00 0.10 H new ATOM 0 HG LEU A 66 -3.056 -7.708 3.753 1.00 0.14 H new ATOM 0 HD11 LEU A 66 -3.970 -8.468 1.604 1.00 0.18 H new ATOM 0 HD12 LEU A 66 -4.079 -6.700 1.776 1.00 0.18 H new ATOM 0 HD13 LEU A 66 -2.819 -7.419 0.744 1.00 0.18 H new ATOM 0 HD21 LEU A 66 -2.113 -9.707 2.667 1.00 0.17 H new ATOM 0 HD22 LEU A 66 -0.906 -8.688 1.848 1.00 0.17 H new ATOM 0 HD23 LEU A 66 -0.886 -8.840 3.621 1.00 0.17 H new ATOM 264 N PHE A 67 -0.560 -3.758 4.322 1.00 0.07 N ATOM 265 CA PHE A 67 0.179 -2.515 4.316 1.00 0.06 C ATOM 266 C PHE A 67 1.307 -2.560 5.336 1.00 0.06 C ATOM 267 O PHE A 67 2.449 -2.253 5.014 1.00 0.07 O ATOM 268 CB PHE A 67 -0.741 -1.334 4.615 1.00 0.08 C ATOM 269 CG PHE A 67 -0.015 -0.032 4.582 1.00 0.08 C ATOM 270 CD1 PHE A 67 0.755 0.288 3.486 1.00 0.08 C ATOM 271 CD2 PHE A 67 -0.084 0.855 5.640 1.00 0.12 C ATOM 272 CE1 PHE A 67 1.455 1.477 3.437 1.00 0.08 C ATOM 273 CE2 PHE A 67 0.606 2.046 5.598 1.00 0.12 C ATOM 274 CZ PHE A 67 1.378 2.355 4.494 1.00 0.09 C ATOM 0 H PHE A 67 -1.564 -3.650 4.468 1.00 0.07 H new ATOM 0 HA PHE A 67 0.604 -2.383 3.321 1.00 0.06 H new ATOM 0 HB2 PHE A 67 -1.552 -1.314 3.887 1.00 0.08 H new ATOM 0 HB3 PHE A 67 -1.196 -1.469 5.596 1.00 0.08 H new ATOM 0 HD1 PHE A 67 0.812 -0.399 2.655 1.00 0.08 H new ATOM 0 HD2 PHE A 67 -0.683 0.612 6.505 1.00 0.12 H new ATOM 0 HE1 PHE A 67 2.059 1.717 2.575 1.00 0.08 H new ATOM 0 HE2 PHE A 67 0.544 2.737 6.426 1.00 0.12 H new ATOM 0 HZ PHE A 67 1.922 3.287 4.461 1.00 0.09 H new ATOM 284 N GLU A 68 0.974 -2.955 6.556 1.00 0.08 N ATOM 285 CA GLU A 68 1.964 -3.084 7.617 1.00 0.09 C ATOM 286 C GLU A 68 3.009 -4.110 7.264 1.00 0.10 C ATOM 287 O GLU A 68 4.191 -3.899 7.488 1.00 0.12 O ATOM 288 CB GLU A 68 1.296 -3.483 8.898 1.00 0.14 C ATOM 289 CG GLU A 68 0.299 -2.467 9.324 1.00 0.21 C ATOM 290 CD GLU A 68 0.921 -1.174 9.824 1.00 0.87 C ATOM 291 OE1 GLU A 68 2.163 -1.105 9.928 1.00 1.47 O ATOM 292 OE2 GLU A 68 0.166 -0.237 10.157 1.00 1.19 O ATOM 0 H GLU A 68 0.023 -3.193 6.837 1.00 0.08 H new ATOM 0 HA GLU A 68 2.450 -2.116 7.739 1.00 0.09 H new ATOM 0 HB2 GLU A 68 0.804 -4.447 8.770 1.00 0.14 H new ATOM 0 HB3 GLU A 68 2.046 -3.609 9.678 1.00 0.14 H new ATOM 0 HG2 GLU A 68 -0.359 -2.243 8.485 1.00 0.21 H new ATOM 0 HG3 GLU A 68 -0.323 -2.890 10.113 1.00 0.21 H new ATOM 299 N GLU A 69 2.565 -5.213 6.689 1.00 0.10 N ATOM 300 CA GLU A 69 3.470 -6.286 6.285 1.00 0.12 C ATOM 301 C GLU A 69 4.521 -5.750 5.327 1.00 0.11 C ATOM 302 O GLU A 69 5.697 -6.111 5.389 1.00 0.14 O ATOM 303 CB GLU A 69 2.696 -7.392 5.581 1.00 0.15 C ATOM 304 CG GLU A 69 1.657 -8.073 6.441 1.00 0.25 C ATOM 305 CD GLU A 69 2.267 -8.946 7.514 1.00 0.81 C ATOM 306 OE1 GLU A 69 2.712 -10.067 7.182 1.00 1.34 O ATOM 307 OE2 GLU A 69 2.291 -8.526 8.687 1.00 1.21 O ATOM 0 H GLU A 69 1.581 -5.394 6.489 1.00 0.10 H new ATOM 0 HA GLU A 69 3.949 -6.682 7.181 1.00 0.12 H new ATOM 0 HB2 GLU A 69 2.205 -6.973 4.703 1.00 0.15 H new ATOM 0 HB3 GLU A 69 3.402 -8.142 5.224 1.00 0.15 H new ATOM 0 HG2 GLU A 69 1.027 -7.317 6.909 1.00 0.25 H new ATOM 0 HG3 GLU A 69 1.010 -8.681 5.809 1.00 0.25 H new ATOM 314 N PHE A 70 4.068 -4.877 4.449 1.00 0.09 N ATOM 315 CA PHE A 70 4.900 -4.280 3.443 1.00 0.09 C ATOM 316 C PHE A 70 5.719 -3.161 4.072 1.00 0.08 C ATOM 317 O PHE A 70 6.902 -3.001 3.782 1.00 0.10 O ATOM 318 CB PHE A 70 4.001 -3.767 2.323 1.00 0.09 C ATOM 319 CG PHE A 70 4.720 -3.107 1.199 1.00 0.09 C ATOM 320 CD1 PHE A 70 5.029 -1.774 1.282 1.00 0.12 C ATOM 321 CD2 PHE A 70 5.062 -3.809 0.057 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.671 -1.136 0.250 1.00 0.14 C ATOM 323 CE2 PHE A 70 5.712 -3.179 -0.984 1.00 0.13 C ATOM 324 CZ PHE A 70 6.017 -1.835 -0.886 1.00 0.13 C ATOM 0 H PHE A 70 3.098 -4.563 4.420 1.00 0.09 H new ATOM 0 HA PHE A 70 5.598 -5.005 3.023 1.00 0.09 H new ATOM 0 HB2 PHE A 70 3.425 -4.603 1.926 1.00 0.09 H new ATOM 0 HB3 PHE A 70 3.287 -3.060 2.744 1.00 0.09 H new ATOM 0 HD1 PHE A 70 4.764 -1.219 2.170 1.00 0.12 H new ATOM 0 HD2 PHE A 70 4.818 -4.858 -0.020 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.905 -0.085 0.329 1.00 0.14 H new ATOM 0 HE2 PHE A 70 5.981 -3.733 -1.871 1.00 0.13 H new ATOM 0 HZ PHE A 70 6.525 -1.334 -1.697 1.00 0.13 H new ATOM 334 N LEU A 71 5.067 -2.394 4.940 1.00 0.07 N ATOM 335 CA LEU A 71 5.704 -1.331 5.686 1.00 0.08 C ATOM 336 C LEU A 71 6.862 -1.834 6.539 1.00 0.08 C ATOM 337 O LEU A 71 7.970 -1.308 6.459 1.00 0.09 O ATOM 338 CB LEU A 71 4.678 -0.616 6.553 1.00 0.09 C ATOM 339 CG LEU A 71 4.172 0.688 5.959 1.00 0.10 C ATOM 340 CD1 LEU A 71 3.633 1.606 7.023 1.00 0.12 C ATOM 341 CD2 LEU A 71 5.280 1.367 5.212 1.00 0.10 C ATOM 0 H LEU A 71 4.073 -2.499 5.142 1.00 0.07 H new ATOM 0 HA LEU A 71 6.122 -0.630 4.963 1.00 0.08 H new ATOM 0 HB2 LEU A 71 3.831 -1.281 6.719 1.00 0.09 H new ATOM 0 HB3 LEU A 71 5.120 -0.412 7.528 1.00 0.09 H new ATOM 0 HG LEU A 71 3.357 0.454 5.274 1.00 0.10 H new ATOM 0 HD11 LEU A 71 3.280 2.529 6.563 1.00 0.12 H new ATOM 0 HD12 LEU A 71 2.806 1.119 7.539 1.00 0.12 H new ATOM 0 HD13 LEU A 71 4.422 1.836 7.739 1.00 0.12 H new ATOM 0 HD21 LEU A 71 4.913 2.302 4.788 1.00 0.10 H new ATOM 0 HD22 LEU A 71 6.104 1.577 5.894 1.00 0.10 H new ATOM 0 HD23 LEU A 71 5.630 0.717 4.410 1.00 0.10 H new ATOM 353 N GLU A 72 6.589 -2.828 7.371 1.00 0.08 N ATOM 354 CA GLU A 72 7.630 -3.482 8.171 1.00 0.11 C ATOM 355 C GLU A 72 8.759 -3.941 7.277 1.00 0.09 C ATOM 356 O GLU A 72 9.933 -3.729 7.576 1.00 0.12 O ATOM 357 CB GLU A 72 7.074 -4.690 8.910 1.00 0.19 C ATOM 358 CG GLU A 72 5.921 -4.340 9.804 1.00 0.26 C ATOM 359 CD GLU A 72 6.319 -3.420 10.931 1.00 0.59 C ATOM 360 OE1 GLU A 72 7.163 -3.817 11.756 1.00 0.89 O ATOM 361 OE2 GLU A 72 5.794 -2.288 10.996 1.00 1.13 O ATOM 0 H GLU A 72 5.652 -3.205 7.515 1.00 0.08 H new ATOM 0 HA GLU A 72 7.996 -2.756 8.897 1.00 0.11 H new ATOM 0 HB2 GLU A 72 6.753 -5.438 8.185 1.00 0.19 H new ATOM 0 HB3 GLU A 72 7.866 -5.143 9.506 1.00 0.19 H new ATOM 0 HG2 GLU A 72 5.138 -3.866 9.212 1.00 0.26 H new ATOM 0 HG3 GLU A 72 5.497 -5.254 10.219 1.00 0.26 H new ATOM 368 N LEU A 73 8.380 -4.581 6.182 1.00 0.10 N ATOM 369 CA LEU A 73 9.338 -4.995 5.163 1.00 0.11 C ATOM 370 C LEU A 73 10.188 -3.814 4.746 1.00 0.10 C ATOM 371 O LEU A 73 11.409 -3.879 4.794 1.00 0.12 O ATOM 372 CB LEU A 73 8.618 -5.558 3.935 1.00 0.14 C ATOM 373 CG LEU A 73 9.537 -5.991 2.790 1.00 0.20 C ATOM 374 CD1 LEU A 73 10.013 -7.415 2.987 1.00 0.49 C ATOM 375 CD2 LEU A 73 8.844 -5.841 1.450 1.00 0.46 C ATOM 0 H LEU A 73 7.412 -4.827 5.974 1.00 0.10 H new ATOM 0 HA LEU A 73 9.971 -5.774 5.587 1.00 0.11 H new ATOM 0 HB2 LEU A 73 8.019 -6.415 4.244 1.00 0.14 H new ATOM 0 HB3 LEU A 73 7.926 -4.804 3.560 1.00 0.14 H new ATOM 0 HG LEU A 73 10.408 -5.336 2.797 1.00 0.20 H new ATOM 0 HD11 LEU A 73 10.664 -7.699 2.160 1.00 0.49 H new ATOM 0 HD12 LEU A 73 10.564 -7.488 3.925 1.00 0.49 H new ATOM 0 HD13 LEU A 73 9.154 -8.085 3.018 1.00 0.49 H new ATOM 0 HD21 LEU A 73 9.519 -6.155 0.654 1.00 0.46 H new ATOM 0 HD22 LEU A 73 7.948 -6.462 1.432 1.00 0.46 H new ATOM 0 HD23 LEU A 73 8.566 -4.798 1.299 1.00 0.46 H new ATOM 387 N CYS A 74 9.534 -2.731 4.358 1.00 0.09 N ATOM 388 CA CYS A 74 10.242 -1.523 3.963 1.00 0.10 C ATOM 389 C CYS A 74 11.204 -1.079 5.059 1.00 0.11 C ATOM 390 O CYS A 74 12.368 -0.824 4.789 1.00 0.14 O ATOM 391 CB CYS A 74 9.258 -0.411 3.618 1.00 0.10 C ATOM 392 SG CYS A 74 8.226 -0.788 2.190 1.00 0.11 S ATOM 0 H CYS A 74 8.517 -2.663 4.308 1.00 0.09 H new ATOM 0 HA CYS A 74 10.827 -1.745 3.071 1.00 0.10 H new ATOM 0 HB2 CYS A 74 8.618 -0.222 4.480 1.00 0.10 H new ATOM 0 HB3 CYS A 74 9.812 0.508 3.424 1.00 0.10 H new ATOM 0 HG CYS A 74 7.377 -1.721 2.503 1.00 0.11 H new ATOM 398 N LYS A 75 10.742 -1.067 6.306 1.00 0.11 N ATOM 399 CA LYS A 75 11.590 -0.684 7.431 1.00 0.12 C ATOM 400 C LYS A 75 12.835 -1.568 7.500 1.00 0.13 C ATOM 401 O LYS A 75 13.866 -1.172 8.040 1.00 0.16 O ATOM 402 CB LYS A 75 10.805 -0.803 8.737 1.00 0.13 C ATOM 403 CG LYS A 75 9.590 0.089 8.804 1.00 0.18 C ATOM 404 CD LYS A 75 8.732 -0.269 9.997 1.00 0.20 C ATOM 405 CE LYS A 75 7.465 0.558 10.032 1.00 0.30 C ATOM 406 NZ LYS A 75 6.592 0.190 11.179 1.00 0.32 N ATOM 0 H LYS A 75 9.787 -1.317 6.563 1.00 0.11 H new ATOM 0 HA LYS A 75 11.905 0.349 7.286 1.00 0.12 H new ATOM 0 HB2 LYS A 75 10.491 -1.839 8.867 1.00 0.13 H new ATOM 0 HB3 LYS A 75 11.466 -0.563 9.570 1.00 0.13 H new ATOM 0 HG2 LYS A 75 9.901 1.131 8.873 1.00 0.18 H new ATOM 0 HG3 LYS A 75 9.008 -0.011 7.888 1.00 0.18 H new ATOM 0 HD2 LYS A 75 8.477 -1.328 9.959 1.00 0.20 H new ATOM 0 HD3 LYS A 75 9.298 -0.110 10.915 1.00 0.20 H new ATOM 0 HE2 LYS A 75 7.723 1.615 10.097 1.00 0.30 H new ATOM 0 HE3 LYS A 75 6.917 0.421 9.100 1.00 0.30 H new ATOM 0 HZ1 LYS A 75 5.952 0.981 11.396 1.00 0.32 H new ATOM 0 HZ2 LYS A 75 6.032 -0.651 10.933 1.00 0.32 H new ATOM 0 HZ3 LYS A 75 7.181 -0.017 12.011 1.00 0.32 H new ATOM 420 N MET A 76 12.732 -2.757 6.923 1.00 0.12 N ATOM 421 CA MET A 76 13.819 -3.719 6.936 1.00 0.13 C ATOM 422 C MET A 76 14.783 -3.502 5.770 1.00 0.14 C ATOM 423 O MET A 76 15.996 -3.615 5.940 1.00 0.16 O ATOM 424 CB MET A 76 13.257 -5.144 6.889 1.00 0.14 C ATOM 425 CG MET A 76 12.425 -5.505 8.104 1.00 0.15 C ATOM 426 SD MET A 76 12.088 -7.273 8.222 1.00 0.21 S ATOM 427 CE MET A 76 11.061 -7.516 6.778 1.00 0.40 C ATOM 0 H MET A 76 11.896 -3.079 6.435 1.00 0.12 H new ATOM 0 HA MET A 76 14.378 -3.575 7.861 1.00 0.13 H new ATOM 0 HB2 MET A 76 12.646 -5.256 5.993 1.00 0.14 H new ATOM 0 HB3 MET A 76 14.083 -5.850 6.801 1.00 0.14 H new ATOM 0 HG2 MET A 76 12.945 -5.178 9.005 1.00 0.15 H new ATOM 0 HG3 MET A 76 11.481 -4.962 8.066 1.00 0.15 H new ATOM 0 HE1 MET A 76 10.872 -8.581 6.641 1.00 0.40 H new ATOM 0 HE2 MET A 76 10.114 -6.994 6.913 1.00 0.40 H new ATOM 0 HE3 MET A 76 11.570 -7.122 5.899 1.00 0.40 H new ATOM 437 N GLN A 77 14.252 -3.188 4.591 1.00 0.14 N ATOM 438 CA GLN A 77 15.069 -3.112 3.386 1.00 0.15 C ATOM 439 C GLN A 77 15.375 -1.676 2.940 1.00 0.16 C ATOM 440 O GLN A 77 16.355 -1.451 2.235 1.00 0.22 O ATOM 441 CB GLN A 77 14.390 -3.862 2.236 1.00 0.19 C ATOM 442 CG GLN A 77 13.053 -4.493 2.584 1.00 0.21 C ATOM 443 CD GLN A 77 12.994 -5.969 2.266 1.00 0.38 C ATOM 444 OE1 GLN A 77 12.642 -6.367 1.161 1.00 0.83 O ATOM 445 NE2 GLN A 77 13.302 -6.791 3.250 1.00 0.25 N ATOM 0 H GLN A 77 13.263 -2.983 4.446 1.00 0.14 H new ATOM 0 HA GLN A 77 16.021 -3.578 3.640 1.00 0.15 H new ATOM 0 HB2 GLN A 77 14.244 -3.170 1.407 1.00 0.19 H new ATOM 0 HB3 GLN A 77 15.063 -4.644 1.884 1.00 0.19 H new ATOM 0 HG2 GLN A 77 12.855 -4.348 3.646 1.00 0.21 H new ATOM 0 HG3 GLN A 77 12.262 -3.978 2.039 1.00 0.21 H new ATOM 0 HE21 GLN A 77 13.590 -6.418 4.155 1.00 0.25 H new ATOM 0 HE22 GLN A 77 13.252 -7.800 3.107 1.00 0.25 H new ATOM 454 N THR A 78 14.574 -0.703 3.360 1.00 0.17 N ATOM 455 CA THR A 78 14.697 0.648 2.817 1.00 0.22 C ATOM 456 C THR A 78 15.558 1.516 3.716 1.00 0.30 C ATOM 457 O THR A 78 15.197 2.644 4.039 1.00 0.32 O ATOM 458 CB THR A 78 13.326 1.346 2.620 1.00 0.17 C ATOM 459 OG1 THR A 78 12.704 1.617 3.882 1.00 0.14 O ATOM 460 CG2 THR A 78 12.393 0.502 1.774 1.00 0.22 C ATOM 0 H THR A 78 13.844 -0.819 4.063 1.00 0.17 H new ATOM 0 HA THR A 78 15.165 0.534 1.839 1.00 0.22 H new ATOM 0 HB THR A 78 13.516 2.286 2.103 1.00 0.17 H new ATOM 0 HG1 THR A 78 12.789 0.833 4.464 1.00 0.14 H new ATOM 0 HG21 THR A 78 11.441 1.020 1.655 1.00 0.22 H new ATOM 0 HG22 THR A 78 12.841 0.336 0.794 1.00 0.22 H new ATOM 0 HG23 THR A 78 12.226 -0.457 2.264 1.00 0.22 H new ATOM 468 N ALA A 79 16.684 0.980 4.151 1.00 0.38 N ATOM 469 CA ALA A 79 17.619 1.722 4.980 1.00 0.50 C ATOM 470 C ALA A 79 17.985 3.083 4.403 1.00 0.52 C ATOM 471 O ALA A 79 18.161 4.050 5.145 1.00 0.55 O ATOM 472 CB ALA A 79 18.865 0.901 5.162 1.00 0.67 C ATOM 0 H ALA A 79 16.976 0.025 3.942 1.00 0.38 H new ATOM 0 HA ALA A 79 17.128 1.910 5.935 1.00 0.50 H new ATOM 0 HB1 ALA A 79 19.574 1.449 5.783 1.00 0.67 H new ATOM 0 HB2 ALA A 79 18.612 -0.042 5.646 1.00 0.67 H new ATOM 0 HB3 ALA A 79 19.314 0.701 4.189 1.00 0.67 H new ATOM 478 N ASP A 80 18.115 3.169 3.087 1.00 0.53 N ATOM 479 CA ASP A 80 18.509 4.424 2.465 1.00 0.57 C ATOM 480 C ASP A 80 17.281 5.295 2.203 1.00 0.52 C ATOM 481 O ASP A 80 17.394 6.469 1.850 1.00 0.57 O ATOM 482 CB ASP A 80 19.302 4.184 1.177 1.00 0.65 C ATOM 483 CG ASP A 80 18.438 3.955 -0.046 1.00 1.21 C ATOM 484 OD1 ASP A 80 17.649 2.993 -0.050 1.00 1.46 O ATOM 485 OD2 ASP A 80 18.547 4.746 -1.008 1.00 1.94 O ATOM 0 H ASP A 80 17.956 2.398 2.438 1.00 0.53 H new ATOM 0 HA ASP A 80 19.166 4.954 3.155 1.00 0.57 H new ATOM 0 HB2 ASP A 80 19.949 5.042 0.996 1.00 0.65 H new ATOM 0 HB3 ASP A 80 19.951 3.319 1.318 1.00 0.65 H new ATOM 490 N HIS A 81 16.107 4.710 2.394 1.00 0.43 N ATOM 491 CA HIS A 81 14.846 5.446 2.280 1.00 0.38 C ATOM 492 C HIS A 81 13.953 5.196 3.491 1.00 0.29 C ATOM 493 O HIS A 81 12.910 4.558 3.378 1.00 0.23 O ATOM 494 CB HIS A 81 14.078 5.064 1.007 1.00 0.41 C ATOM 495 CG HIS A 81 14.542 5.765 -0.231 1.00 0.61 C ATOM 496 ND1 HIS A 81 15.708 5.691 -0.908 1.00 0.99 N flip ATOM 497 CD2 HIS A 81 13.758 6.667 -0.920 1.00 0.70 C flip ATOM 498 CE1 HIS A 81 15.610 6.540 -1.981 1.00 1.08 C flip ATOM 499 NE2 HIS A 81 14.425 7.114 -1.967 1.00 0.86 N flip ATOM 0 H HIS A 81 15.997 3.724 2.630 1.00 0.43 H new ATOM 0 HA HIS A 81 15.106 6.503 2.231 1.00 0.38 H new ATOM 0 HB2 HIS A 81 14.165 3.988 0.854 1.00 0.41 H new ATOM 0 HB3 HIS A 81 13.020 5.280 1.157 1.00 0.41 H new ATOM 0 HD2 HIS A 81 12.756 6.961 -0.646 1.00 0.70 H new ATOM 0 HE1 HIS A 81 16.381 6.710 -2.718 1.00 1.08 H new ATOM 0 HE2 HIS A 81 14.081 7.789 -2.650 1.00 0.86 H new ATOM 508 N PRO A 82 14.339 5.700 4.673 1.00 0.32 N ATOM 509 CA PRO A 82 13.528 5.559 5.880 1.00 0.29 C ATOM 510 C PRO A 82 12.273 6.423 5.809 1.00 0.26 C ATOM 511 O PRO A 82 11.308 6.214 6.542 1.00 0.29 O ATOM 512 CB PRO A 82 14.458 6.028 6.994 1.00 0.38 C ATOM 513 CG PRO A 82 15.449 6.921 6.339 1.00 0.44 C ATOM 514 CD PRO A 82 15.585 6.444 4.926 1.00 0.41 C ATOM 0 HA PRO A 82 13.169 4.541 6.029 1.00 0.29 H new ATOM 0 HB2 PRO A 82 13.905 6.558 7.769 1.00 0.38 H new ATOM 0 HB3 PRO A 82 14.950 5.183 7.475 1.00 0.38 H new ATOM 0 HG2 PRO A 82 15.115 7.958 6.368 1.00 0.44 H new ATOM 0 HG3 PRO A 82 16.408 6.881 6.856 1.00 0.44 H new ATOM 0 HD2 PRO A 82 15.698 7.278 4.233 1.00 0.41 H new ATOM 0 HD3 PRO A 82 16.461 5.807 4.804 1.00 0.41 H new ATOM 522 N GLU A 83 12.317 7.391 4.901 1.00 0.23 N ATOM 523 CA GLU A 83 11.193 8.279 4.617 1.00 0.21 C ATOM 524 C GLU A 83 10.090 7.539 3.869 1.00 0.17 C ATOM 525 O GLU A 83 8.953 8.006 3.787 1.00 0.18 O ATOM 526 CB GLU A 83 11.691 9.434 3.762 1.00 0.28 C ATOM 527 CG GLU A 83 11.850 9.035 2.316 1.00 0.46 C ATOM 528 CD GLU A 83 12.656 10.022 1.501 1.00 0.55 C ATOM 529 OE1 GLU A 83 12.117 11.101 1.177 1.00 1.01 O ATOM 530 OE2 GLU A 83 13.828 9.732 1.188 1.00 0.95 O ATOM 0 H GLU A 83 13.143 7.585 4.334 1.00 0.23 H new ATOM 0 HA GLU A 83 10.783 8.645 5.558 1.00 0.21 H new ATOM 0 HB2 GLU A 83 10.992 10.267 3.834 1.00 0.28 H new ATOM 0 HB3 GLU A 83 12.647 9.786 4.149 1.00 0.28 H new ATOM 0 HG2 GLU A 83 12.331 8.058 2.268 1.00 0.46 H new ATOM 0 HG3 GLU A 83 10.863 8.926 1.867 1.00 0.46 H new ATOM 537 N VAL A 84 10.442 6.385 3.327 1.00 0.15 N ATOM 538 CA VAL A 84 9.543 5.602 2.510 1.00 0.14 C ATOM 539 C VAL A 84 8.344 5.125 3.304 1.00 0.11 C ATOM 540 O VAL A 84 7.228 5.130 2.806 1.00 0.11 O ATOM 541 CB VAL A 84 10.303 4.424 1.878 1.00 0.15 C ATOM 542 CG1 VAL A 84 9.468 3.171 1.831 1.00 0.16 C ATOM 543 CG2 VAL A 84 10.769 4.809 0.490 1.00 0.21 C ATOM 0 H VAL A 84 11.365 5.967 3.445 1.00 0.15 H new ATOM 0 HA VAL A 84 9.160 6.237 1.711 1.00 0.14 H new ATOM 0 HB VAL A 84 11.167 4.204 2.505 1.00 0.15 H new ATOM 0 HG11 VAL A 84 10.045 2.366 1.377 1.00 0.16 H new ATOM 0 HG12 VAL A 84 9.182 2.886 2.844 1.00 0.16 H new ATOM 0 HG13 VAL A 84 8.571 3.353 1.238 1.00 0.16 H new ATOM 0 HG21 VAL A 84 11.308 3.974 0.042 1.00 0.21 H new ATOM 0 HG22 VAL A 84 9.906 5.057 -0.128 1.00 0.21 H new ATOM 0 HG23 VAL A 84 11.429 5.674 0.555 1.00 0.21 H new ATOM 553 N VAL A 85 8.578 4.728 4.535 1.00 0.09 N ATOM 554 CA VAL A 85 7.509 4.286 5.396 1.00 0.09 C ATOM 555 C VAL A 85 6.514 5.407 5.685 1.00 0.10 C ATOM 556 O VAL A 85 5.326 5.225 5.492 1.00 0.10 O ATOM 557 CB VAL A 85 8.063 3.693 6.692 1.00 0.10 C ATOM 558 CG1 VAL A 85 6.965 3.524 7.712 1.00 0.13 C ATOM 559 CG2 VAL A 85 8.752 2.383 6.382 1.00 0.11 C ATOM 0 H VAL A 85 9.504 4.703 4.962 1.00 0.09 H new ATOM 0 HA VAL A 85 6.967 3.502 4.868 1.00 0.09 H new ATOM 0 HB VAL A 85 8.795 4.374 7.126 1.00 0.10 H new ATOM 0 HG11 VAL A 85 7.380 3.101 8.627 1.00 0.13 H new ATOM 0 HG12 VAL A 85 6.519 4.494 7.931 1.00 0.13 H new ATOM 0 HG13 VAL A 85 6.201 2.855 7.317 1.00 0.13 H new ATOM 0 HG21 VAL A 85 9.150 1.954 7.302 1.00 0.11 H new ATOM 0 HG22 VAL A 85 8.036 1.691 5.939 1.00 0.11 H new ATOM 0 HG23 VAL A 85 9.568 2.558 5.681 1.00 0.11 H new ATOM 569 N PRO A 86 6.975 6.566 6.177 1.00 0.12 N ATOM 570 CA PRO A 86 6.129 7.751 6.300 1.00 0.14 C ATOM 571 C PRO A 86 5.396 8.073 4.995 1.00 0.14 C ATOM 572 O PRO A 86 4.197 8.305 5.002 1.00 0.18 O ATOM 573 CB PRO A 86 7.087 8.883 6.657 1.00 0.18 C ATOM 574 CG PRO A 86 8.418 8.260 6.921 1.00 0.18 C ATOM 575 CD PRO A 86 8.316 6.779 6.707 1.00 0.14 C ATOM 0 HA PRO A 86 5.352 7.600 7.049 1.00 0.14 H new ATOM 0 HB2 PRO A 86 7.153 9.604 5.842 1.00 0.18 H new ATOM 0 HB3 PRO A 86 6.734 9.425 7.534 1.00 0.18 H new ATOM 0 HG2 PRO A 86 9.171 8.685 6.257 1.00 0.18 H new ATOM 0 HG3 PRO A 86 8.737 8.472 7.942 1.00 0.18 H new ATOM 0 HD2 PRO A 86 9.076 6.428 6.010 1.00 0.14 H new ATOM 0 HD3 PRO A 86 8.463 6.234 7.640 1.00 0.14 H new ATOM 583 N PHE A 87 6.130 8.061 3.881 1.00 0.13 N ATOM 584 CA PHE A 87 5.567 8.277 2.548 1.00 0.14 C ATOM 585 C PHE A 87 4.495 7.238 2.245 1.00 0.12 C ATOM 586 O PHE A 87 3.451 7.547 1.669 1.00 0.12 O ATOM 587 CB PHE A 87 6.706 8.171 1.522 1.00 0.18 C ATOM 588 CG PHE A 87 6.328 8.419 0.085 1.00 0.35 C ATOM 589 CD1 PHE A 87 5.118 8.992 -0.248 1.00 0.35 C ATOM 590 CD2 PHE A 87 7.204 8.076 -0.932 1.00 0.85 C ATOM 591 CE1 PHE A 87 4.782 9.220 -1.568 1.00 0.43 C ATOM 592 CE2 PHE A 87 6.876 8.300 -2.255 1.00 1.01 C ATOM 593 CZ PHE A 87 5.662 8.874 -2.574 1.00 0.69 C ATOM 0 H PHE A 87 7.137 7.900 3.879 1.00 0.13 H new ATOM 0 HA PHE A 87 5.104 9.263 2.499 1.00 0.14 H new ATOM 0 HB2 PHE A 87 7.485 8.881 1.799 1.00 0.18 H new ATOM 0 HB3 PHE A 87 7.142 7.175 1.595 1.00 0.18 H new ATOM 0 HD1 PHE A 87 4.425 9.266 0.534 1.00 0.35 H new ATOM 0 HD2 PHE A 87 8.156 7.628 -0.687 1.00 0.85 H new ATOM 0 HE1 PHE A 87 3.831 9.669 -1.813 1.00 0.43 H new ATOM 0 HE2 PHE A 87 7.568 8.027 -3.038 1.00 1.01 H new ATOM 0 HZ PHE A 87 5.401 9.052 -3.607 1.00 0.69 H new ATOM 603 N LEU A 88 4.734 6.032 2.706 1.00 0.10 N ATOM 604 CA LEU A 88 3.841 4.926 2.463 1.00 0.09 C ATOM 605 C LEU A 88 2.627 5.098 3.326 1.00 0.08 C ATOM 606 O LEU A 88 1.483 5.049 2.870 1.00 0.09 O ATOM 607 CB LEU A 88 4.535 3.631 2.845 1.00 0.09 C ATOM 608 CG LEU A 88 5.067 2.815 1.690 1.00 0.10 C ATOM 609 CD1 LEU A 88 5.927 1.691 2.209 1.00 0.11 C ATOM 610 CD2 LEU A 88 3.924 2.264 0.871 1.00 0.10 C ATOM 0 H LEU A 88 5.555 5.791 3.261 1.00 0.10 H new ATOM 0 HA LEU A 88 3.559 4.896 1.411 1.00 0.09 H new ATOM 0 HB2 LEU A 88 5.363 3.866 3.513 1.00 0.09 H new ATOM 0 HB3 LEU A 88 3.834 3.016 3.410 1.00 0.09 H new ATOM 0 HG LEU A 88 5.674 3.458 1.052 1.00 0.10 H new ATOM 0 HD11 LEU A 88 6.307 1.107 1.371 1.00 0.11 H new ATOM 0 HD12 LEU A 88 6.764 2.104 2.773 1.00 0.11 H new ATOM 0 HD13 LEU A 88 5.333 1.049 2.859 1.00 0.11 H new ATOM 0 HD21 LEU A 88 4.320 1.678 0.042 1.00 0.10 H new ATOM 0 HD22 LEU A 88 3.300 1.628 1.499 1.00 0.10 H new ATOM 0 HD23 LEU A 88 3.326 3.087 0.480 1.00 0.10 H new ATOM 622 N TYR A 89 2.920 5.327 4.593 1.00 0.08 N ATOM 623 CA TYR A 89 1.934 5.449 5.616 1.00 0.09 C ATOM 624 C TYR A 89 0.989 6.570 5.278 1.00 0.09 C ATOM 625 O TYR A 89 -0.216 6.404 5.264 1.00 0.11 O ATOM 626 CB TYR A 89 2.645 5.766 6.926 1.00 0.10 C ATOM 627 CG TYR A 89 2.329 4.795 8.014 1.00 0.13 C ATOM 628 CD1 TYR A 89 1.041 4.361 8.173 1.00 0.14 C ATOM 629 CD2 TYR A 89 3.307 4.310 8.862 1.00 0.16 C ATOM 630 CE1 TYR A 89 0.707 3.458 9.144 1.00 0.19 C ATOM 631 CE2 TYR A 89 2.995 3.404 9.850 1.00 0.20 C ATOM 632 CZ TYR A 89 1.688 2.972 9.990 1.00 0.22 C ATOM 633 OH TYR A 89 1.364 2.056 10.968 1.00 0.27 O ATOM 0 H TYR A 89 3.876 5.434 4.933 1.00 0.08 H new ATOM 0 HA TYR A 89 1.368 4.522 5.704 1.00 0.09 H new ATOM 0 HB2 TYR A 89 3.722 5.774 6.755 1.00 0.10 H new ATOM 0 HB3 TYR A 89 2.367 6.769 7.250 1.00 0.10 H new ATOM 0 HD1 TYR A 89 0.271 4.740 7.517 1.00 0.14 H new ATOM 0 HD2 TYR A 89 4.327 4.646 8.748 1.00 0.16 H new ATOM 0 HE1 TYR A 89 -0.315 3.126 9.250 1.00 0.19 H new ATOM 0 HE2 TYR A 89 3.764 3.033 10.511 1.00 0.20 H new ATOM 0 HH TYR A 89 1.027 1.236 10.550 1.00 0.27 H new ATOM 643 N ASN A 90 1.590 7.695 4.972 1.00 0.09 N ATOM 644 CA ASN A 90 0.907 8.896 4.549 1.00 0.09 C ATOM 645 C ASN A 90 -0.077 8.612 3.438 1.00 0.09 C ATOM 646 O ASN A 90 -1.268 8.861 3.589 1.00 0.10 O ATOM 647 CB ASN A 90 1.969 9.847 4.056 1.00 0.11 C ATOM 648 CG ASN A 90 1.425 11.064 3.383 1.00 0.24 C ATOM 649 OD1 ASN A 90 0.498 11.711 3.862 1.00 0.43 O ATOM 650 ND2 ASN A 90 1.983 11.343 2.231 1.00 0.40 N ATOM 0 H ASN A 90 2.603 7.804 5.012 1.00 0.09 H new ATOM 0 HA ASN A 90 0.340 9.316 5.380 1.00 0.09 H new ATOM 0 HB2 ASN A 90 2.587 10.156 4.899 1.00 0.11 H new ATOM 0 HB3 ASN A 90 2.621 9.319 3.360 1.00 0.11 H new ATOM 0 HD21 ASN A 90 1.649 12.135 1.681 1.00 0.40 H new ATOM 0 HD22 ASN A 90 2.751 10.768 1.884 1.00 0.40 H new ATOM 657 N ARG A 91 0.429 8.080 2.333 1.00 0.08 N ATOM 658 CA ARG A 91 -0.398 7.779 1.174 1.00 0.10 C ATOM 659 C ARG A 91 -1.591 6.924 1.567 1.00 0.09 C ATOM 660 O ARG A 91 -2.707 7.155 1.116 1.00 0.11 O ATOM 661 CB ARG A 91 0.430 7.056 0.108 1.00 0.13 C ATOM 662 CG ARG A 91 1.451 7.940 -0.565 1.00 0.16 C ATOM 663 CD ARG A 91 0.778 9.130 -1.208 1.00 0.29 C ATOM 664 NE ARG A 91 1.712 10.230 -1.425 1.00 0.88 N ATOM 665 CZ ARG A 91 1.351 11.457 -1.797 1.00 1.05 C ATOM 666 NH1 ARG A 91 0.071 11.746 -2.006 1.00 1.35 N ATOM 667 NH2 ARG A 91 2.269 12.401 -1.954 1.00 1.64 N ATOM 0 H ARG A 91 1.415 7.847 2.216 1.00 0.08 H new ATOM 0 HA ARG A 91 -0.766 8.720 0.766 1.00 0.10 H new ATOM 0 HB2 ARG A 91 0.941 6.210 0.568 1.00 0.13 H new ATOM 0 HB3 ARG A 91 -0.242 6.650 -0.648 1.00 0.13 H new ATOM 0 HG2 ARG A 91 2.184 8.280 0.166 1.00 0.16 H new ATOM 0 HG3 ARG A 91 1.994 7.370 -1.319 1.00 0.16 H new ATOM 0 HD2 ARG A 91 0.342 8.830 -2.161 1.00 0.29 H new ATOM 0 HD3 ARG A 91 -0.042 9.469 -0.575 1.00 0.29 H new ATOM 0 HE ARG A 91 2.705 10.048 -1.283 1.00 0.88 H new ATOM 0 HH11 ARG A 91 -0.641 11.026 -1.882 1.00 1.35 H new ATOM 0 HH12 ARG A 91 -0.199 12.687 -2.291 1.00 1.35 H new ATOM 0 HH21 ARG A 91 3.253 12.188 -1.790 1.00 1.64 H new ATOM 0 HH22 ARG A 91 1.991 13.340 -2.239 1.00 1.64 H new ATOM 681 N GLN A 92 -1.339 5.953 2.424 1.00 0.09 N ATOM 682 CA GLN A 92 -2.361 5.023 2.864 1.00 0.12 C ATOM 683 C GLN A 92 -3.309 5.694 3.856 1.00 0.11 C ATOM 684 O GLN A 92 -4.523 5.512 3.796 1.00 0.13 O ATOM 685 CB GLN A 92 -1.674 3.813 3.492 1.00 0.18 C ATOM 686 CG GLN A 92 -2.529 2.569 3.528 1.00 0.35 C ATOM 687 CD GLN A 92 -3.230 2.366 4.850 1.00 0.42 C ATOM 688 OE1 GLN A 92 -3.540 3.313 5.568 1.00 1.05 O ATOM 689 NE2 GLN A 92 -3.470 1.118 5.180 1.00 0.36 N ATOM 0 H GLN A 92 -0.420 5.787 2.835 1.00 0.09 H new ATOM 0 HA GLN A 92 -2.961 4.700 2.013 1.00 0.12 H new ATOM 0 HB2 GLN A 92 -0.761 3.598 2.936 1.00 0.18 H new ATOM 0 HB3 GLN A 92 -1.376 4.065 4.509 1.00 0.18 H new ATOM 0 HG2 GLN A 92 -3.274 2.625 2.734 1.00 0.35 H new ATOM 0 HG3 GLN A 92 -1.904 1.701 3.318 1.00 0.35 H new ATOM 0 HE21 GLN A 92 -3.195 0.363 4.552 1.00 0.36 H new ATOM 0 HE22 GLN A 92 -3.932 0.904 6.064 1.00 0.36 H new ATOM 698 N GLN A 93 -2.736 6.477 4.756 1.00 0.12 N ATOM 699 CA GLN A 93 -3.495 7.194 5.770 1.00 0.14 C ATOM 700 C GLN A 93 -4.459 8.191 5.126 1.00 0.16 C ATOM 701 O GLN A 93 -5.575 8.398 5.607 1.00 0.20 O ATOM 702 CB GLN A 93 -2.537 7.928 6.723 1.00 0.15 C ATOM 703 CG GLN A 93 -1.785 7.017 7.682 1.00 0.15 C ATOM 704 CD GLN A 93 -2.688 6.103 8.479 1.00 0.21 C ATOM 705 OE1 GLN A 93 -3.174 6.464 9.553 1.00 0.28 O ATOM 706 NE2 GLN A 93 -2.886 4.902 7.972 1.00 0.22 N ATOM 0 H GLN A 93 -1.729 6.634 4.805 1.00 0.12 H new ATOM 0 HA GLN A 93 -4.080 6.470 6.337 1.00 0.14 H new ATOM 0 HB2 GLN A 93 -1.814 8.489 6.131 1.00 0.15 H new ATOM 0 HB3 GLN A 93 -3.106 8.655 7.302 1.00 0.15 H new ATOM 0 HG2 GLN A 93 -1.077 6.412 7.116 1.00 0.15 H new ATOM 0 HG3 GLN A 93 -1.202 7.629 8.370 1.00 0.15 H new ATOM 0 HE21 GLN A 93 -2.462 4.649 7.079 1.00 0.22 H new ATOM 0 HE22 GLN A 93 -3.463 4.226 8.473 1.00 0.22 H new ATOM 715 N ARG A 94 -4.012 8.810 4.041 1.00 0.14 N ATOM 716 CA ARG A 94 -4.816 9.797 3.330 1.00 0.15 C ATOM 717 C ARG A 94 -5.621 9.173 2.195 1.00 0.14 C ATOM 718 O ARG A 94 -6.363 9.859 1.488 1.00 0.19 O ATOM 719 CB ARG A 94 -3.899 10.881 2.804 1.00 0.21 C ATOM 720 CG ARG A 94 -2.924 10.406 1.750 1.00 0.76 C ATOM 721 CD ARG A 94 -1.751 11.361 1.640 1.00 0.64 C ATOM 722 NE ARG A 94 -2.203 12.723 1.337 1.00 0.86 N ATOM 723 CZ ARG A 94 -1.633 13.838 1.802 1.00 1.04 C ATOM 724 NH1 ARG A 94 -0.594 13.775 2.621 1.00 1.60 N ATOM 725 NH2 ARG A 94 -2.127 15.018 1.458 1.00 1.40 N ATOM 0 H ARG A 94 -3.092 8.645 3.632 1.00 0.14 H new ATOM 0 HA ARG A 94 -5.540 10.223 4.025 1.00 0.15 H new ATOM 0 HB2 ARG A 94 -4.506 11.685 2.387 1.00 0.21 H new ATOM 0 HB3 ARG A 94 -3.339 11.304 3.638 1.00 0.21 H new ATOM 0 HG2 ARG A 94 -2.565 9.408 2.002 1.00 0.76 H new ATOM 0 HG3 ARG A 94 -3.429 10.329 0.787 1.00 0.76 H new ATOM 0 HD2 ARG A 94 -1.189 11.361 2.574 1.00 0.64 H new ATOM 0 HD3 ARG A 94 -1.072 11.018 0.860 1.00 0.64 H new ATOM 0 HE ARG A 94 -3.013 12.827 0.726 1.00 0.86 H new ATOM 0 HH11 ARG A 94 -0.221 12.868 2.903 1.00 1.60 H new ATOM 0 HH12 ARG A 94 -0.167 14.633 2.970 1.00 1.60 H new ATOM 0 HH21 ARG A 94 -2.938 15.071 0.842 1.00 1.40 H new ATOM 0 HH22 ARG A 94 -1.696 15.873 1.810 1.00 1.40 H new ATOM 739 N ALA A 95 -5.473 7.871 2.038 1.00 0.12 N ATOM 740 CA ALA A 95 -6.200 7.133 1.010 1.00 0.12 C ATOM 741 C ALA A 95 -7.652 6.932 1.423 1.00 0.13 C ATOM 742 O ALA A 95 -8.015 7.128 2.585 1.00 0.17 O ATOM 743 CB ALA A 95 -5.537 5.785 0.741 1.00 0.13 C ATOM 0 H ALA A 95 -4.854 7.296 2.610 1.00 0.12 H new ATOM 0 HA ALA A 95 -6.176 7.719 0.091 1.00 0.12 H new ATOM 0 HB1 ALA A 95 -6.095 5.252 -0.028 1.00 0.13 H new ATOM 0 HB2 ALA A 95 -4.513 5.944 0.402 1.00 0.13 H new ATOM 0 HB3 ALA A 95 -5.528 5.195 1.657 1.00 0.13 H new ATOM 749 N HIS A 96 -8.479 6.558 0.460 1.00 0.12 N ATOM 750 CA HIS A 96 -9.899 6.353 0.699 1.00 0.13 C ATOM 751 C HIS A 96 -10.119 5.129 1.564 1.00 0.13 C ATOM 752 O HIS A 96 -9.697 4.037 1.208 1.00 0.12 O ATOM 753 CB HIS A 96 -10.627 6.165 -0.632 1.00 0.14 C ATOM 754 CG HIS A 96 -12.072 6.540 -0.577 1.00 0.18 C ATOM 755 ND1 HIS A 96 -12.903 6.020 0.377 1.00 0.20 N ATOM 756 CD2 HIS A 96 -12.775 7.393 -1.361 1.00 0.23 C ATOM 757 CE1 HIS A 96 -14.084 6.561 0.160 1.00 0.23 C ATOM 758 NE2 HIS A 96 -14.060 7.400 -0.883 1.00 0.25 N ATOM 0 H HIS A 96 -8.188 6.389 -0.503 1.00 0.12 H new ATOM 0 HA HIS A 96 -10.293 7.229 1.214 1.00 0.13 H new ATOM 0 HB2 HIS A 96 -10.133 6.765 -1.396 1.00 0.14 H new ATOM 0 HB3 HIS A 96 -10.541 5.123 -0.940 1.00 0.14 H new ATOM 0 HD2 HIS A 96 -12.396 7.958 -2.200 1.00 0.23 H new ATOM 0 HE1 HIS A 96 -14.964 6.353 0.751 1.00 0.23 H new ATOM 0 HE2 HIS A 96 -14.844 7.939 -1.250 1.00 0.25 H new ATOM 766 N SER A 97 -10.765 5.328 2.709 1.00 0.16 N ATOM 767 CA SER A 97 -11.122 4.237 3.609 1.00 0.20 C ATOM 768 C SER A 97 -11.862 3.115 2.883 1.00 0.18 C ATOM 769 O SER A 97 -11.647 1.940 3.174 1.00 0.18 O ATOM 770 CB SER A 97 -11.964 4.781 4.763 1.00 0.29 C ATOM 771 OG SER A 97 -12.967 5.664 4.283 1.00 1.32 O ATOM 0 H SER A 97 -11.055 6.249 3.038 1.00 0.16 H new ATOM 0 HA SER A 97 -10.201 3.807 4.002 1.00 0.20 H new ATOM 0 HB2 SER A 97 -12.428 3.955 5.302 1.00 0.29 H new ATOM 0 HB3 SER A 97 -11.322 5.304 5.472 1.00 0.29 H new ATOM 0 HG SER A 97 -13.496 5.999 5.037 1.00 1.32 H new ATOM 777 N LEU A 98 -12.741 3.475 1.949 1.00 0.18 N ATOM 778 CA LEU A 98 -13.416 2.491 1.106 1.00 0.18 C ATOM 779 C LEU A 98 -12.423 1.699 0.283 1.00 0.15 C ATOM 780 O LEU A 98 -12.542 0.489 0.134 1.00 0.18 O ATOM 781 CB LEU A 98 -14.379 3.176 0.158 1.00 0.21 C ATOM 782 CG LEU A 98 -15.714 3.579 0.766 1.00 0.28 C ATOM 783 CD1 LEU A 98 -16.566 4.251 -0.287 1.00 0.57 C ATOM 784 CD2 LEU A 98 -16.434 2.369 1.346 1.00 0.61 C ATOM 0 H LEU A 98 -13.002 4.442 1.757 1.00 0.18 H new ATOM 0 HA LEU A 98 -13.957 1.816 1.770 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -13.897 4.068 -0.242 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -14.568 2.511 -0.685 1.00 0.21 H new ATOM 0 HG LEU A 98 -15.533 4.280 1.581 1.00 0.28 H new ATOM 0 HD11 LEU A 98 -17.523 4.540 0.149 1.00 0.57 H new ATOM 0 HD12 LEU A 98 -16.053 5.139 -0.658 1.00 0.57 H new ATOM 0 HD13 LEU A 98 -16.737 3.560 -1.112 1.00 0.57 H new ATOM 0 HD21 LEU A 98 -17.386 2.683 1.775 1.00 0.61 H new ATOM 0 HD22 LEU A 98 -16.615 1.640 0.556 1.00 0.61 H new ATOM 0 HD23 LEU A 98 -15.818 1.917 2.123 1.00 0.61 H new ATOM 796 N PHE A 99 -11.445 2.409 -0.236 1.00 0.12 N ATOM 797 CA PHE A 99 -10.395 1.807 -1.042 1.00 0.11 C ATOM 798 C PHE A 99 -9.501 0.937 -0.166 1.00 0.11 C ATOM 799 O PHE A 99 -9.117 -0.167 -0.549 1.00 0.12 O ATOM 800 CB PHE A 99 -9.565 2.889 -1.735 1.00 0.12 C ATOM 801 CG PHE A 99 -8.324 2.360 -2.381 1.00 0.13 C ATOM 802 CD1 PHE A 99 -8.413 1.505 -3.459 1.00 0.15 C ATOM 803 CD2 PHE A 99 -7.075 2.719 -1.909 1.00 0.18 C ATOM 804 CE1 PHE A 99 -7.276 1.010 -4.064 1.00 0.18 C ATOM 805 CE2 PHE A 99 -5.933 2.229 -2.504 1.00 0.20 C ATOM 806 CZ PHE A 99 -6.033 1.373 -3.584 1.00 0.18 C ATOM 0 H PHE A 99 -11.352 3.417 -0.114 1.00 0.12 H new ATOM 0 HA PHE A 99 -10.856 1.183 -1.808 1.00 0.11 H new ATOM 0 HB2 PHE A 99 -10.179 3.380 -2.491 1.00 0.12 H new ATOM 0 HB3 PHE A 99 -9.290 3.650 -1.004 1.00 0.12 H new ATOM 0 HD1 PHE A 99 -9.384 1.219 -3.834 1.00 0.15 H new ATOM 0 HD2 PHE A 99 -6.994 3.390 -1.066 1.00 0.18 H new ATOM 0 HE1 PHE A 99 -7.358 0.342 -4.909 1.00 0.18 H new ATOM 0 HE2 PHE A 99 -4.962 2.513 -2.127 1.00 0.20 H new ATOM 0 HZ PHE A 99 -5.139 0.988 -4.053 1.00 0.18 H new ATOM 816 N LEU A 100 -9.186 1.441 1.014 1.00 0.12 N ATOM 817 CA LEU A 100 -8.415 0.695 1.992 1.00 0.14 C ATOM 818 C LEU A 100 -9.174 -0.544 2.444 1.00 0.16 C ATOM 819 O LEU A 100 -8.592 -1.475 2.985 1.00 0.21 O ATOM 820 CB LEU A 100 -8.110 1.582 3.191 1.00 0.17 C ATOM 821 CG LEU A 100 -7.410 2.887 2.852 1.00 0.17 C ATOM 822 CD1 LEU A 100 -7.560 3.864 3.999 1.00 0.21 C ATOM 823 CD2 LEU A 100 -5.951 2.622 2.552 1.00 0.22 C ATOM 0 H LEU A 100 -9.456 2.376 1.320 1.00 0.12 H new ATOM 0 HA LEU A 100 -7.481 0.377 1.529 1.00 0.14 H new ATOM 0 HB2 LEU A 100 -9.044 1.809 3.705 1.00 0.17 H new ATOM 0 HB3 LEU A 100 -7.489 1.023 3.891 1.00 0.17 H new ATOM 0 HG LEU A 100 -7.868 3.327 1.966 1.00 0.17 H new ATOM 0 HD11 LEU A 100 -7.056 4.798 3.750 1.00 0.21 H new ATOM 0 HD12 LEU A 100 -8.618 4.059 4.175 1.00 0.21 H new ATOM 0 HD13 LEU A 100 -7.114 3.440 4.899 1.00 0.21 H new ATOM 0 HD21 LEU A 100 -5.453 3.561 2.309 1.00 0.22 H new ATOM 0 HD22 LEU A 100 -5.476 2.174 3.425 1.00 0.22 H new ATOM 0 HD23 LEU A 100 -5.872 1.940 1.705 1.00 0.22 H new ATOM 835 N ALA A 101 -10.481 -0.545 2.238 1.00 0.16 N ATOM 836 CA ALA A 101 -11.289 -1.719 2.525 1.00 0.19 C ATOM 837 C ALA A 101 -11.742 -2.403 1.240 1.00 0.21 C ATOM 838 O ALA A 101 -12.550 -3.333 1.276 1.00 0.37 O ATOM 839 CB ALA A 101 -12.497 -1.336 3.367 1.00 0.23 C ATOM 0 H ALA A 101 -11.004 0.252 1.874 1.00 0.16 H new ATOM 0 HA ALA A 101 -10.673 -2.422 3.086 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -13.093 -2.225 3.574 1.00 0.23 H new ATOM 0 HB2 ALA A 101 -12.161 -0.897 4.307 1.00 0.23 H new ATOM 0 HB3 ALA A 101 -13.104 -0.611 2.824 1.00 0.23 H new ATOM 845 N SER A 102 -11.208 -1.963 0.106 1.00 0.13 N ATOM 846 CA SER A 102 -11.653 -2.481 -1.179 1.00 0.15 C ATOM 847 C SER A 102 -10.730 -3.588 -1.668 1.00 0.17 C ATOM 848 O SER A 102 -9.570 -3.691 -1.256 1.00 0.25 O ATOM 849 CB SER A 102 -11.736 -1.358 -2.218 1.00 0.18 C ATOM 850 OG SER A 102 -10.449 -0.955 -2.651 1.00 1.40 O ATOM 0 H SER A 102 -10.474 -1.256 0.051 1.00 0.13 H new ATOM 0 HA SER A 102 -12.650 -2.901 -1.044 1.00 0.15 H new ATOM 0 HB2 SER A 102 -12.320 -1.696 -3.074 1.00 0.18 H new ATOM 0 HB3 SER A 102 -12.261 -0.504 -1.791 1.00 0.18 H new ATOM 0 HG SER A 102 -9.888 -0.758 -1.872 1.00 1.40 H new ATOM 856 N ALA A 103 -11.279 -4.422 -2.539 1.00 0.20 N ATOM 857 CA ALA A 103 -10.560 -5.543 -3.120 1.00 0.21 C ATOM 858 C ALA A 103 -9.334 -5.090 -3.896 1.00 0.18 C ATOM 859 O ALA A 103 -8.310 -5.772 -3.893 1.00 0.19 O ATOM 860 CB ALA A 103 -11.484 -6.314 -4.036 1.00 0.27 C ATOM 0 H ALA A 103 -12.242 -4.338 -2.864 1.00 0.20 H new ATOM 0 HA ALA A 103 -10.219 -6.180 -2.304 1.00 0.21 H new ATOM 0 HB1 ALA A 103 -10.945 -7.155 -4.472 1.00 0.27 H new ATOM 0 HB2 ALA A 103 -12.335 -6.685 -3.466 1.00 0.27 H new ATOM 0 HB3 ALA A 103 -11.838 -5.658 -4.831 1.00 0.27 H new ATOM 866 N GLU A 104 -9.452 -3.952 -4.571 1.00 0.17 N ATOM 867 CA GLU A 104 -8.374 -3.437 -5.395 1.00 0.17 C ATOM 868 C GLU A 104 -7.096 -3.234 -4.593 1.00 0.14 C ATOM 869 O GLU A 104 -6.021 -3.632 -5.031 1.00 0.14 O ATOM 870 CB GLU A 104 -8.777 -2.134 -6.051 1.00 0.22 C ATOM 871 CG GLU A 104 -7.819 -1.718 -7.142 1.00 0.30 C ATOM 872 CD GLU A 104 -7.843 -2.651 -8.339 1.00 0.97 C ATOM 873 OE1 GLU A 104 -7.389 -3.806 -8.208 1.00 1.70 O ATOM 874 OE2 GLU A 104 -8.323 -2.239 -9.412 1.00 1.29 O ATOM 0 H GLU A 104 -10.289 -3.369 -4.561 1.00 0.17 H new ATOM 0 HA GLU A 104 -8.176 -4.182 -6.166 1.00 0.17 H new ATOM 0 HB2 GLU A 104 -9.778 -2.236 -6.470 1.00 0.22 H new ATOM 0 HB3 GLU A 104 -8.826 -1.350 -5.295 1.00 0.22 H new ATOM 0 HG2 GLU A 104 -8.067 -0.708 -7.470 1.00 0.30 H new ATOM 0 HG3 GLU A 104 -6.808 -1.682 -6.736 1.00 0.30 H new ATOM 881 N PHE A 105 -7.198 -2.636 -3.411 1.00 0.13 N ATOM 882 CA PHE A 105 -6.015 -2.393 -2.604 1.00 0.13 C ATOM 883 C PHE A 105 -5.408 -3.720 -2.176 1.00 0.12 C ATOM 884 O PHE A 105 -4.194 -3.856 -2.114 1.00 0.13 O ATOM 885 CB PHE A 105 -6.348 -1.532 -1.378 1.00 0.13 C ATOM 886 CG PHE A 105 -5.128 -0.997 -0.677 1.00 0.12 C ATOM 887 CD1 PHE A 105 -3.971 -0.765 -1.394 1.00 0.12 C ATOM 888 CD2 PHE A 105 -5.137 -0.720 0.684 1.00 0.14 C ATOM 889 CE1 PHE A 105 -2.843 -0.268 -0.779 1.00 0.13 C ATOM 890 CE2 PHE A 105 -4.007 -0.223 1.307 1.00 0.15 C ATOM 891 CZ PHE A 105 -2.860 0.004 0.571 1.00 0.14 C ATOM 0 H PHE A 105 -8.074 -2.316 -2.998 1.00 0.13 H new ATOM 0 HA PHE A 105 -5.290 -1.844 -3.205 1.00 0.13 H new ATOM 0 HB2 PHE A 105 -6.975 -0.697 -1.689 1.00 0.13 H new ATOM 0 HB3 PHE A 105 -6.932 -2.125 -0.674 1.00 0.13 H new ATOM 0 HD1 PHE A 105 -3.950 -0.976 -2.453 1.00 0.12 H new ATOM 0 HD2 PHE A 105 -6.034 -0.894 1.260 1.00 0.14 H new ATOM 0 HE1 PHE A 105 -1.946 -0.092 -1.355 1.00 0.13 H new ATOM 0 HE2 PHE A 105 -4.021 -0.013 2.366 1.00 0.15 H new ATOM 0 HZ PHE A 105 -1.977 0.395 1.054 1.00 0.14 H new ATOM 901 N CYS A 106 -6.263 -4.706 -1.927 1.00 0.13 N ATOM 902 CA CYS A 106 -5.799 -6.045 -1.584 1.00 0.15 C ATOM 903 C CYS A 106 -5.045 -6.632 -2.761 1.00 0.15 C ATOM 904 O CYS A 106 -3.959 -7.189 -2.607 1.00 0.16 O ATOM 905 CB CYS A 106 -6.978 -6.950 -1.208 1.00 0.19 C ATOM 906 SG CYS A 106 -6.502 -8.639 -0.764 1.00 0.29 S ATOM 0 H CYS A 106 -7.277 -4.604 -1.956 1.00 0.13 H new ATOM 0 HA CYS A 106 -5.135 -5.978 -0.722 1.00 0.15 H new ATOM 0 HB2 CYS A 106 -7.513 -6.503 -0.370 1.00 0.19 H new ATOM 0 HB3 CYS A 106 -7.674 -6.989 -2.046 1.00 0.19 H new ATOM 0 HG CYS A 106 -7.565 -9.324 -0.461 1.00 0.29 H new ATOM 912 N ASN A 107 -5.638 -6.489 -3.939 1.00 0.14 N ATOM 913 CA ASN A 107 -5.016 -6.896 -5.189 1.00 0.16 C ATOM 914 C ASN A 107 -3.630 -6.294 -5.310 1.00 0.15 C ATOM 915 O ASN A 107 -2.640 -6.994 -5.500 1.00 0.17 O ATOM 916 CB ASN A 107 -5.860 -6.394 -6.354 1.00 0.18 C ATOM 917 CG ASN A 107 -6.114 -7.459 -7.400 1.00 0.24 C ATOM 918 OD1 ASN A 107 -5.314 -8.380 -7.581 1.00 0.32 O ATOM 919 ND2 ASN A 107 -7.228 -7.335 -8.104 1.00 0.34 N ATOM 0 H ASN A 107 -6.568 -6.086 -4.053 1.00 0.14 H new ATOM 0 HA ASN A 107 -4.943 -7.983 -5.205 1.00 0.16 H new ATOM 0 HB2 ASN A 107 -6.815 -6.030 -5.974 1.00 0.18 H new ATOM 0 HB3 ASN A 107 -5.358 -5.546 -6.820 1.00 0.18 H new ATOM 0 HD21 ASN A 107 -7.452 -8.017 -8.829 1.00 0.34 H new ATOM 0 HD22 ASN A 107 -7.863 -6.558 -7.922 1.00 0.34 H new ATOM 926 N ILE A 108 -3.590 -4.985 -5.170 1.00 0.13 N ATOM 927 CA ILE A 108 -2.383 -4.199 -5.321 1.00 0.13 C ATOM 928 C ILE A 108 -1.354 -4.557 -4.250 1.00 0.11 C ATOM 929 O ILE A 108 -0.183 -4.778 -4.548 1.00 0.12 O ATOM 930 CB ILE A 108 -2.763 -2.710 -5.233 1.00 0.14 C ATOM 931 CG1 ILE A 108 -3.587 -2.309 -6.457 1.00 0.17 C ATOM 932 CG2 ILE A 108 -1.539 -1.826 -5.085 1.00 0.14 C ATOM 933 CD1 ILE A 108 -4.391 -1.045 -6.258 1.00 0.17 C ATOM 0 H ILE A 108 -4.413 -4.426 -4.943 1.00 0.13 H new ATOM 0 HA ILE A 108 -1.927 -4.412 -6.288 1.00 0.13 H new ATOM 0 HB ILE A 108 -3.369 -2.566 -4.338 1.00 0.14 H new ATOM 0 HG12 ILE A 108 -2.918 -2.174 -7.307 1.00 0.17 H new ATOM 0 HG13 ILE A 108 -4.264 -3.124 -6.711 1.00 0.17 H new ATOM 0 HG21 ILE A 108 -1.849 -0.783 -5.026 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -1.002 -2.097 -4.176 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -0.885 -1.962 -5.947 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -4.950 -0.822 -7.167 1.00 0.17 H new ATOM 0 HD12 ILE A 108 -5.086 -1.182 -5.429 1.00 0.17 H new ATOM 0 HD13 ILE A 108 -3.718 -0.217 -6.034 1.00 0.17 H new ATOM 945 N LEU A 109 -1.825 -4.637 -3.020 1.00 0.09 N ATOM 946 CA LEU A 109 -0.987 -4.969 -1.875 1.00 0.08 C ATOM 947 C LEU A 109 -0.378 -6.347 -2.001 1.00 0.09 C ATOM 948 O LEU A 109 0.832 -6.518 -1.872 1.00 0.10 O ATOM 949 CB LEU A 109 -1.805 -4.888 -0.605 1.00 0.08 C ATOM 950 CG LEU A 109 -1.814 -3.513 0.024 1.00 0.07 C ATOM 951 CD1 LEU A 109 -2.822 -3.453 1.135 1.00 0.09 C ATOM 952 CD2 LEU A 109 -0.437 -3.190 0.546 1.00 0.07 C ATOM 0 H LEU A 109 -2.803 -4.473 -2.782 1.00 0.09 H new ATOM 0 HA LEU A 109 -0.171 -4.248 -1.841 1.00 0.08 H new ATOM 0 HB2 LEU A 109 -2.831 -5.185 -0.824 1.00 0.08 H new ATOM 0 HB3 LEU A 109 -1.413 -5.605 0.116 1.00 0.08 H new ATOM 0 HG LEU A 109 -2.093 -2.776 -0.730 1.00 0.07 H new ATOM 0 HD11 LEU A 109 -2.817 -2.457 1.578 1.00 0.09 H new ATOM 0 HD12 LEU A 109 -3.814 -3.668 0.738 1.00 0.09 H new ATOM 0 HD13 LEU A 109 -2.568 -4.190 1.897 1.00 0.09 H new ATOM 0 HD21 LEU A 109 -0.443 -2.199 0.999 1.00 0.07 H new ATOM 0 HD22 LEU A 109 -0.149 -3.929 1.293 1.00 0.07 H new ATOM 0 HD23 LEU A 109 0.278 -3.208 -0.277 1.00 0.07 H new ATOM 964 N SER A 110 -1.226 -7.319 -2.254 1.00 0.10 N ATOM 965 CA SER A 110 -0.791 -8.693 -2.406 1.00 0.12 C ATOM 966 C SER A 110 0.233 -8.790 -3.530 1.00 0.12 C ATOM 967 O SER A 110 1.216 -9.528 -3.433 1.00 0.14 O ATOM 968 CB SER A 110 -1.997 -9.588 -2.672 1.00 0.15 C ATOM 969 OG SER A 110 -1.617 -10.929 -2.919 1.00 1.15 O ATOM 0 H SER A 110 -2.231 -7.183 -2.360 1.00 0.10 H new ATOM 0 HA SER A 110 -0.314 -9.032 -1.486 1.00 0.12 H new ATOM 0 HB2 SER A 110 -2.670 -9.554 -1.815 1.00 0.15 H new ATOM 0 HB3 SER A 110 -2.551 -9.204 -3.529 1.00 0.15 H new ATOM 0 HG SER A 110 -2.417 -11.471 -3.083 1.00 1.15 H new ATOM 975 N ARG A 111 0.004 -8.015 -4.587 1.00 0.11 N ATOM 976 CA ARG A 111 0.941 -7.925 -5.690 1.00 0.12 C ATOM 977 C ARG A 111 2.285 -7.407 -5.231 1.00 0.11 C ATOM 978 O ARG A 111 3.301 -8.087 -5.366 1.00 0.13 O ATOM 979 CB ARG A 111 0.398 -6.994 -6.763 1.00 0.16 C ATOM 980 CG ARG A 111 -0.665 -7.619 -7.626 1.00 0.26 C ATOM 981 CD ARG A 111 -0.948 -6.774 -8.852 1.00 0.99 C ATOM 982 NE ARG A 111 -1.293 -5.394 -8.506 1.00 1.81 N ATOM 983 CZ ARG A 111 -1.367 -4.402 -9.397 1.00 2.57 C ATOM 984 NH1 ARG A 111 -1.141 -4.639 -10.685 1.00 2.67 N ATOM 985 NH2 ARG A 111 -1.666 -3.170 -9.002 1.00 3.55 N ATOM 0 H ARG A 111 -0.830 -7.439 -4.698 1.00 0.11 H new ATOM 0 HA ARG A 111 1.069 -8.929 -6.094 1.00 0.12 H new ATOM 0 HB2 ARG A 111 -0.011 -6.104 -6.286 1.00 0.16 H new ATOM 0 HB3 ARG A 111 1.222 -6.666 -7.397 1.00 0.16 H new ATOM 0 HG2 ARG A 111 -0.347 -8.615 -7.934 1.00 0.26 H new ATOM 0 HG3 ARG A 111 -1.580 -7.742 -7.047 1.00 0.26 H new ATOM 0 HD2 ARG A 111 -0.073 -6.776 -9.502 1.00 0.99 H new ATOM 0 HD3 ARG A 111 -1.766 -7.220 -9.418 1.00 0.99 H new ATOM 0 HE ARG A 111 -1.488 -5.178 -7.528 1.00 1.81 H new ATOM 0 HH11 ARG A 111 -0.910 -5.582 -10.997 1.00 2.67 H new ATOM 0 HH12 ARG A 111 -1.199 -3.878 -11.361 1.00 2.67 H new ATOM 0 HH21 ARG A 111 -1.840 -2.979 -8.015 1.00 3.55 H new ATOM 0 HH22 ARG A 111 -1.722 -2.415 -9.685 1.00 3.55 H new ATOM 999 N VAL A 112 2.285 -6.217 -4.656 1.00 0.10 N ATOM 1000 CA VAL A 112 3.532 -5.548 -4.321 1.00 0.10 C ATOM 1001 C VAL A 112 4.281 -6.276 -3.239 1.00 0.11 C ATOM 1002 O VAL A 112 5.487 -6.416 -3.323 1.00 0.12 O ATOM 1003 CB VAL A 112 3.352 -4.083 -3.882 1.00 0.10 C ATOM 1004 CG1 VAL A 112 3.138 -3.198 -5.082 1.00 0.11 C ATOM 1005 CG2 VAL A 112 2.215 -3.924 -2.899 1.00 0.10 C ATOM 0 H VAL A 112 1.442 -5.696 -4.412 1.00 0.10 H new ATOM 0 HA VAL A 112 4.103 -5.557 -5.249 1.00 0.10 H new ATOM 0 HB VAL A 112 4.267 -3.779 -3.374 1.00 0.10 H new ATOM 0 HG11 VAL A 112 3.012 -2.166 -4.755 1.00 0.11 H new ATOM 0 HG12 VAL A 112 4.002 -3.267 -5.743 1.00 0.11 H new ATOM 0 HG13 VAL A 112 2.245 -3.520 -5.617 1.00 0.11 H new ATOM 0 HG21 VAL A 112 2.123 -2.876 -2.616 1.00 0.10 H new ATOM 0 HG22 VAL A 112 1.286 -4.258 -3.360 1.00 0.10 H new ATOM 0 HG23 VAL A 112 2.415 -4.524 -2.011 1.00 0.10 H new ATOM 1015 N LEU A 113 3.569 -6.730 -2.228 1.00 0.10 N ATOM 1016 CA LEU A 113 4.192 -7.451 -1.140 1.00 0.11 C ATOM 1017 C LEU A 113 4.914 -8.671 -1.646 1.00 0.12 C ATOM 1018 O LEU A 113 6.104 -8.831 -1.425 1.00 0.14 O ATOM 1019 CB LEU A 113 3.143 -7.873 -0.132 1.00 0.11 C ATOM 1020 CG LEU A 113 3.096 -6.996 1.093 1.00 0.12 C ATOM 1021 CD1 LEU A 113 1.717 -6.390 1.255 1.00 0.31 C ATOM 1022 CD2 LEU A 113 3.510 -7.791 2.316 1.00 0.28 C ATOM 0 H LEU A 113 2.560 -6.612 -2.138 1.00 0.10 H new ATOM 0 HA LEU A 113 4.915 -6.788 -0.665 1.00 0.11 H new ATOM 0 HB2 LEU A 113 2.165 -7.864 -0.613 1.00 0.11 H new ATOM 0 HB3 LEU A 113 3.338 -8.901 0.174 1.00 0.11 H new ATOM 0 HG LEU A 113 3.802 -6.174 0.976 1.00 0.12 H new ATOM 0 HD11 LEU A 113 1.699 -5.759 2.144 1.00 0.31 H new ATOM 0 HD12 LEU A 113 1.479 -5.788 0.378 1.00 0.31 H new ATOM 0 HD13 LEU A 113 0.980 -7.186 1.360 1.00 0.31 H new ATOM 0 HD21 LEU A 113 3.473 -7.150 3.197 1.00 0.28 H new ATOM 0 HD22 LEU A 113 2.830 -8.632 2.451 1.00 0.28 H new ATOM 0 HD23 LEU A 113 4.525 -8.164 2.181 1.00 0.28 H new ATOM 1034 N SER A 114 4.184 -9.497 -2.356 1.00 0.13 N ATOM 1035 CA SER A 114 4.716 -10.749 -2.870 1.00 0.15 C ATOM 1036 C SER A 114 5.876 -10.484 -3.819 1.00 0.15 C ATOM 1037 O SER A 114 6.894 -11.181 -3.788 1.00 0.17 O ATOM 1038 CB SER A 114 3.616 -11.550 -3.570 1.00 0.17 C ATOM 1039 OG SER A 114 4.051 -12.865 -3.878 1.00 1.00 O ATOM 0 H SER A 114 3.207 -9.327 -2.596 1.00 0.13 H new ATOM 0 HA SER A 114 5.088 -11.338 -2.032 1.00 0.15 H new ATOM 0 HB2 SER A 114 2.735 -11.597 -2.930 1.00 0.17 H new ATOM 0 HB3 SER A 114 3.318 -11.039 -4.486 1.00 0.17 H new ATOM 0 HG SER A 114 3.327 -13.353 -4.323 1.00 1.00 H new ATOM 1045 N ARG A 115 5.729 -9.454 -4.639 1.00 0.13 N ATOM 1046 CA ARG A 115 6.805 -9.024 -5.507 1.00 0.14 C ATOM 1047 C ARG A 115 7.985 -8.550 -4.669 1.00 0.14 C ATOM 1048 O ARG A 115 9.129 -8.878 -4.943 1.00 0.18 O ATOM 1049 CB ARG A 115 6.334 -7.886 -6.409 1.00 0.17 C ATOM 1050 CG ARG A 115 5.413 -8.313 -7.537 1.00 0.24 C ATOM 1051 CD ARG A 115 4.913 -7.100 -8.301 1.00 0.35 C ATOM 1052 NE ARG A 115 4.430 -7.438 -9.637 1.00 0.84 N ATOM 1053 CZ ARG A 115 4.237 -6.539 -10.603 1.00 1.19 C ATOM 1054 NH1 ARG A 115 4.377 -5.242 -10.348 1.00 1.20 N ATOM 1055 NH2 ARG A 115 3.887 -6.940 -11.819 1.00 1.83 N ATOM 0 H ARG A 115 4.874 -8.903 -4.719 1.00 0.13 H new ATOM 0 HA ARG A 115 7.112 -9.866 -6.127 1.00 0.14 H new ATOM 0 HB2 ARG A 115 5.819 -7.145 -5.798 1.00 0.17 H new ATOM 0 HB3 ARG A 115 7.207 -7.394 -6.837 1.00 0.17 H new ATOM 0 HG2 ARG A 115 5.943 -8.984 -8.213 1.00 0.24 H new ATOM 0 HG3 ARG A 115 4.568 -8.870 -7.133 1.00 0.24 H new ATOM 0 HD2 ARG A 115 4.109 -6.626 -7.737 1.00 0.35 H new ATOM 0 HD3 ARG A 115 5.718 -6.370 -8.384 1.00 0.35 H new ATOM 0 HE ARG A 115 4.229 -8.417 -9.843 1.00 0.84 H new ATOM 0 HH11 ARG A 115 4.633 -4.931 -9.411 1.00 1.20 H new ATOM 0 HH12 ARG A 115 4.229 -4.558 -11.090 1.00 1.20 H new ATOM 0 HH21 ARG A 115 3.766 -7.934 -12.013 1.00 1.83 H new ATOM 0 HH22 ARG A 115 3.739 -6.254 -12.559 1.00 1.83 H new ATOM 1069 N ALA A 116 7.671 -7.785 -3.634 1.00 0.13 N ATOM 1070 CA ALA A 116 8.677 -7.176 -2.764 1.00 0.14 C ATOM 1071 C ALA A 116 9.473 -8.226 -1.992 1.00 0.16 C ATOM 1072 O ALA A 116 10.669 -8.058 -1.766 1.00 0.18 O ATOM 1073 CB ALA A 116 8.007 -6.194 -1.814 1.00 0.15 C ATOM 0 H ALA A 116 6.710 -7.566 -3.370 1.00 0.13 H new ATOM 0 HA ALA A 116 9.388 -6.638 -3.391 1.00 0.14 H new ATOM 0 HB1 ALA A 116 8.759 -5.742 -1.167 1.00 0.15 H new ATOM 0 HB2 ALA A 116 7.508 -5.414 -2.389 1.00 0.15 H new ATOM 0 HB3 ALA A 116 7.273 -6.721 -1.204 1.00 0.15 H new ATOM 1079 N ARG A 117 8.811 -9.308 -1.589 1.00 0.19 N ATOM 1080 CA ARG A 117 9.495 -10.392 -0.887 1.00 0.24 C ATOM 1081 C ARG A 117 10.543 -11.028 -1.803 1.00 0.26 C ATOM 1082 O ARG A 117 11.600 -11.473 -1.352 1.00 0.32 O ATOM 1083 CB ARG A 117 8.520 -11.488 -0.436 1.00 0.28 C ATOM 1084 CG ARG A 117 7.164 -11.006 0.009 1.00 0.61 C ATOM 1085 CD ARG A 117 7.262 -10.181 1.254 1.00 0.34 C ATOM 1086 NE ARG A 117 7.429 -10.999 2.454 1.00 1.22 N ATOM 1087 CZ ARG A 117 6.653 -10.907 3.533 1.00 1.38 C ATOM 1088 NH1 ARG A 117 5.671 -10.016 3.575 1.00 1.30 N ATOM 1089 NH2 ARG A 117 6.857 -11.709 4.571 1.00 2.33 N ATOM 0 H ARG A 117 7.813 -9.457 -1.734 1.00 0.19 H new ATOM 0 HA ARG A 117 9.965 -9.956 -0.005 1.00 0.24 H new ATOM 0 HB2 ARG A 117 8.385 -12.191 -1.258 1.00 0.28 H new ATOM 0 HB3 ARG A 117 8.977 -12.041 0.384 1.00 0.28 H new ATOM 0 HG2 ARG A 117 6.706 -10.416 -0.785 1.00 0.61 H new ATOM 0 HG3 ARG A 117 6.512 -11.861 0.187 1.00 0.61 H new ATOM 0 HD2 ARG A 117 8.104 -9.494 1.166 1.00 0.34 H new ATOM 0 HD3 ARG A 117 6.363 -9.572 1.355 1.00 0.34 H new ATOM 0 HE ARG A 117 8.186 -11.682 2.466 1.00 1.22 H new ATOM 0 HH11 ARG A 117 5.508 -9.399 2.780 1.00 1.30 H new ATOM 0 HH12 ARG A 117 5.079 -9.948 4.403 1.00 1.30 H new ATOM 0 HH21 ARG A 117 7.609 -12.397 4.544 1.00 2.33 H new ATOM 0 HH22 ARG A 117 6.262 -11.637 5.396 1.00 2.33 H new ATOM 1103 N SER A 118 10.223 -11.077 -3.091 1.00 0.26 N ATOM 1104 CA SER A 118 11.085 -11.701 -4.088 1.00 0.31 C ATOM 1105 C SER A 118 12.087 -10.706 -4.636 1.00 0.28 C ATOM 1106 O SER A 118 13.225 -11.051 -4.960 1.00 0.32 O ATOM 1107 CB SER A 118 10.238 -12.219 -5.241 1.00 0.37 C ATOM 1108 OG SER A 118 10.872 -13.294 -5.916 1.00 0.68 O ATOM 0 H SER A 118 9.361 -10.687 -3.473 1.00 0.26 H new ATOM 0 HA SER A 118 11.620 -12.520 -3.608 1.00 0.31 H new ATOM 0 HB2 SER A 118 9.270 -12.547 -4.863 1.00 0.37 H new ATOM 0 HB3 SER A 118 10.047 -11.409 -5.945 1.00 0.37 H new ATOM 0 HG SER A 118 10.300 -13.603 -6.649 1.00 0.68 H new ATOM 1114 N ARG A 119 11.645 -9.478 -4.731 1.00 0.23 N ATOM 1115 CA ARG A 119 12.410 -8.421 -5.330 1.00 0.20 C ATOM 1116 C ARG A 119 12.458 -7.213 -4.421 1.00 0.18 C ATOM 1117 O ARG A 119 11.792 -6.209 -4.665 1.00 0.17 O ATOM 1118 CB ARG A 119 11.779 -8.055 -6.656 1.00 0.25 C ATOM 1119 CG ARG A 119 12.339 -8.830 -7.817 1.00 0.33 C ATOM 1120 CD ARG A 119 13.657 -8.236 -8.288 1.00 0.33 C ATOM 1121 NE ARG A 119 14.333 -9.114 -9.235 1.00 0.55 N ATOM 1122 CZ ARG A 119 15.591 -8.954 -9.637 1.00 0.97 C ATOM 1123 NH1 ARG A 119 16.299 -7.912 -9.221 1.00 1.48 N ATOM 1124 NH2 ARG A 119 16.139 -9.836 -10.464 1.00 1.19 N ATOM 0 H ARG A 119 10.731 -9.183 -4.389 1.00 0.23 H new ATOM 0 HA ARG A 119 13.434 -8.760 -5.488 1.00 0.20 H new ATOM 0 HB2 ARG A 119 10.704 -8.227 -6.598 1.00 0.25 H new ATOM 0 HB3 ARG A 119 11.922 -6.990 -6.837 1.00 0.25 H new ATOM 0 HG2 ARG A 119 12.489 -9.870 -7.526 1.00 0.33 H new ATOM 0 HG3 ARG A 119 11.622 -8.829 -8.638 1.00 0.33 H new ATOM 0 HD2 ARG A 119 13.474 -7.268 -8.755 1.00 0.33 H new ATOM 0 HD3 ARG A 119 14.304 -8.059 -7.429 1.00 0.33 H new ATOM 0 HE ARG A 119 13.808 -9.902 -9.614 1.00 0.55 H new ATOM 0 HH11 ARG A 119 15.879 -7.229 -8.590 1.00 1.48 H new ATOM 0 HH12 ARG A 119 17.263 -7.794 -9.532 1.00 1.48 H new ATOM 0 HH21 ARG A 119 15.596 -10.635 -10.790 1.00 1.19 H new ATOM 0 HH22 ARG A 119 17.103 -9.715 -10.773 1.00 1.19 H new ATOM 1138 N PRO A 120 13.252 -7.300 -3.361 1.00 0.19 N ATOM 1139 CA PRO A 120 13.429 -6.207 -2.410 1.00 0.19 C ATOM 1140 C PRO A 120 14.195 -5.035 -3.020 1.00 0.20 C ATOM 1141 O PRO A 120 14.292 -3.964 -2.428 1.00 0.21 O ATOM 1142 CB PRO A 120 14.222 -6.864 -1.293 1.00 0.23 C ATOM 1143 CG PRO A 120 14.997 -7.913 -1.986 1.00 0.25 C ATOM 1144 CD PRO A 120 14.031 -8.486 -2.968 1.00 0.22 C ATOM 0 HA PRO A 120 12.485 -5.774 -2.080 1.00 0.19 H new ATOM 0 HB2 PRO A 120 14.874 -6.150 -0.791 1.00 0.23 H new ATOM 0 HB3 PRO A 120 13.567 -7.287 -0.532 1.00 0.23 H new ATOM 0 HG2 PRO A 120 15.874 -7.498 -2.484 1.00 0.25 H new ATOM 0 HG3 PRO A 120 15.355 -8.671 -1.289 1.00 0.25 H new ATOM 0 HD2 PRO A 120 14.537 -8.942 -3.819 1.00 0.22 H new ATOM 0 HD3 PRO A 120 13.403 -9.256 -2.520 1.00 0.22 H new ATOM 1152 N ALA A 121 14.735 -5.249 -4.216 1.00 0.20 N ATOM 1153 CA ALA A 121 15.339 -4.163 -4.979 1.00 0.22 C ATOM 1154 C ALA A 121 14.237 -3.392 -5.668 1.00 0.19 C ATOM 1155 O ALA A 121 14.267 -2.168 -5.788 1.00 0.21 O ATOM 1156 CB ALA A 121 16.306 -4.702 -6.013 1.00 0.25 C ATOM 0 H ALA A 121 14.767 -6.159 -4.675 1.00 0.20 H new ATOM 0 HA ALA A 121 15.895 -3.514 -4.302 1.00 0.22 H new ATOM 0 HB1 ALA A 121 16.743 -3.873 -6.569 1.00 0.25 H new ATOM 0 HB2 ALA A 121 17.097 -5.262 -5.514 1.00 0.25 H new ATOM 0 HB3 ALA A 121 15.774 -5.360 -6.701 1.00 0.25 H new ATOM 1162 N LYS A 122 13.254 -4.153 -6.107 1.00 0.16 N ATOM 1163 CA LYS A 122 12.081 -3.611 -6.739 1.00 0.16 C ATOM 1164 C LYS A 122 11.120 -3.055 -5.700 1.00 0.11 C ATOM 1165 O LYS A 122 10.097 -2.489 -6.050 1.00 0.11 O ATOM 1166 CB LYS A 122 11.390 -4.687 -7.541 1.00 0.20 C ATOM 1167 CG LYS A 122 12.166 -5.125 -8.754 1.00 0.27 C ATOM 1168 CD LYS A 122 11.674 -4.453 -10.004 1.00 0.41 C ATOM 1169 CE LYS A 122 10.265 -4.876 -10.314 1.00 0.79 C ATOM 1170 NZ LYS A 122 9.727 -4.194 -11.517 1.00 1.07 N ATOM 0 H LYS A 122 13.253 -5.170 -6.032 1.00 0.16 H new ATOM 0 HA LYS A 122 12.388 -2.801 -7.401 1.00 0.16 H new ATOM 0 HB2 LYS A 122 11.215 -5.551 -6.900 1.00 0.20 H new ATOM 0 HB3 LYS A 122 10.413 -4.322 -7.857 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.222 -4.898 -8.611 1.00 0.27 H new ATOM 0 HG3 LYS A 122 12.085 -6.206 -8.867 1.00 0.27 H new ATOM 0 HD2 LYS A 122 11.716 -3.371 -9.882 1.00 0.41 H new ATOM 0 HD3 LYS A 122 12.327 -4.705 -10.840 1.00 0.41 H new ATOM 0 HE2 LYS A 122 10.237 -5.955 -10.467 1.00 0.79 H new ATOM 0 HE3 LYS A 122 9.626 -4.658 -9.459 1.00 0.79 H new ATOM 0 HZ1 LYS A 122 8.754 -4.516 -11.693 1.00 1.07 H new ATOM 0 HZ2 LYS A 122 9.729 -3.165 -11.363 1.00 1.07 H new ATOM 0 HZ3 LYS A 122 10.321 -4.422 -12.340 1.00 1.07 H new ATOM 1184 N LEU A 123 11.432 -3.266 -4.421 1.00 0.10 N ATOM 1185 CA LEU A 123 10.635 -2.738 -3.324 1.00 0.08 C ATOM 1186 C LEU A 123 10.254 -1.282 -3.540 1.00 0.08 C ATOM 1187 O LEU A 123 9.110 -0.923 -3.343 1.00 0.13 O ATOM 1188 CB LEU A 123 11.395 -2.885 -2.018 1.00 0.12 C ATOM 1189 CG LEU A 123 10.691 -2.331 -0.790 1.00 0.14 C ATOM 1190 CD1 LEU A 123 9.346 -2.996 -0.610 1.00 0.12 C ATOM 1191 CD2 LEU A 123 11.549 -2.536 0.434 1.00 0.23 C ATOM 0 H LEU A 123 12.243 -3.807 -4.121 1.00 0.10 H new ATOM 0 HA LEU A 123 9.711 -3.315 -3.283 1.00 0.08 H new ATOM 0 HB2 LEU A 123 11.599 -3.943 -1.853 1.00 0.12 H new ATOM 0 HB3 LEU A 123 12.359 -2.386 -2.120 1.00 0.12 H new ATOM 0 HG LEU A 123 10.530 -1.262 -0.929 1.00 0.14 H new ATOM 0 HD11 LEU A 123 8.854 -2.589 0.273 1.00 0.12 H new ATOM 0 HD12 LEU A 123 8.728 -2.810 -1.488 1.00 0.12 H new ATOM 0 HD13 LEU A 123 9.485 -4.070 -0.485 1.00 0.12 H new ATOM 0 HD21 LEU A 123 11.036 -2.136 1.309 1.00 0.23 H new ATOM 0 HD22 LEU A 123 11.732 -3.601 0.576 1.00 0.23 H new ATOM 0 HD23 LEU A 123 12.500 -2.019 0.303 1.00 0.23 H new ATOM 1203 N TYR A 124 11.196 -0.456 -3.975 1.00 0.11 N ATOM 1204 CA TYR A 124 10.915 0.918 -4.293 1.00 0.10 C ATOM 1205 C TYR A 124 9.890 1.029 -5.400 1.00 0.11 C ATOM 1206 O TYR A 124 9.049 1.908 -5.371 1.00 0.14 O ATOM 1207 CB TYR A 124 12.216 1.606 -4.663 1.00 0.14 C ATOM 1208 CG TYR A 124 13.114 1.648 -3.474 1.00 0.57 C ATOM 1209 CD1 TYR A 124 12.549 1.891 -2.255 1.00 0.33 C ATOM 1210 CD2 TYR A 124 14.478 1.433 -3.546 1.00 1.30 C ATOM 1211 CE1 TYR A 124 13.295 1.927 -1.115 1.00 0.74 C ATOM 1212 CE2 TYR A 124 15.255 1.467 -2.403 1.00 1.74 C ATOM 1213 CZ TYR A 124 14.656 1.717 -1.183 1.00 1.45 C ATOM 1214 OH TYR A 124 15.407 1.744 -0.032 1.00 1.89 O ATOM 0 H TYR A 124 12.169 -0.728 -4.113 1.00 0.11 H new ATOM 0 HA TYR A 124 10.482 1.412 -3.423 1.00 0.10 H new ATOM 0 HB2 TYR A 124 12.702 1.072 -5.480 1.00 0.14 H new ATOM 0 HB3 TYR A 124 12.017 2.617 -5.017 1.00 0.14 H new ATOM 0 HD1 TYR A 124 11.484 2.059 -2.193 1.00 0.33 H new ATOM 0 HD2 TYR A 124 14.940 1.237 -4.502 1.00 1.30 H new ATOM 0 HE1 TYR A 124 12.822 2.119 -0.163 1.00 0.74 H new ATOM 0 HE2 TYR A 124 16.320 1.300 -2.463 1.00 1.74 H new ATOM 0 HH TYR A 124 16.318 2.039 -0.242 1.00 1.89 H new ATOM 1224 N VAL A 125 9.908 0.100 -6.335 1.00 0.10 N ATOM 1225 CA VAL A 125 8.936 0.113 -7.413 1.00 0.12 C ATOM 1226 C VAL A 125 7.566 -0.058 -6.808 1.00 0.11 C ATOM 1227 O VAL A 125 6.633 0.658 -7.118 1.00 0.14 O ATOM 1228 CB VAL A 125 9.157 -1.047 -8.395 1.00 0.15 C ATOM 1229 CG1 VAL A 125 8.152 -0.985 -9.524 1.00 0.20 C ATOM 1230 CG2 VAL A 125 10.576 -1.051 -8.922 1.00 0.18 C ATOM 0 H VAL A 125 10.578 -0.668 -6.372 1.00 0.10 H new ATOM 0 HA VAL A 125 9.038 1.054 -7.954 1.00 0.12 H new ATOM 0 HB VAL A 125 9.005 -1.983 -7.858 1.00 0.15 H new ATOM 0 HG11 VAL A 125 8.324 -1.814 -10.210 1.00 0.20 H new ATOM 0 HG12 VAL A 125 7.143 -1.053 -9.117 1.00 0.20 H new ATOM 0 HG13 VAL A 125 8.264 -0.042 -10.059 1.00 0.20 H new ATOM 0 HG21 VAL A 125 10.704 -1.883 -9.615 1.00 0.18 H new ATOM 0 HG22 VAL A 125 10.774 -0.113 -9.440 1.00 0.18 H new ATOM 0 HG23 VAL A 125 11.273 -1.160 -8.091 1.00 0.18 H new ATOM 1240 N TYR A 126 7.519 -1.007 -5.899 1.00 0.07 N ATOM 1241 CA TYR A 126 6.312 -1.427 -5.210 1.00 0.08 C ATOM 1242 C TYR A 126 5.862 -0.378 -4.200 1.00 0.08 C ATOM 1243 O TYR A 126 4.673 -0.099 -4.065 1.00 0.10 O ATOM 1244 CB TYR A 126 6.637 -2.757 -4.541 1.00 0.11 C ATOM 1245 CG TYR A 126 7.226 -3.739 -5.520 1.00 0.15 C ATOM 1246 CD1 TYR A 126 6.827 -3.747 -6.853 1.00 0.18 C ATOM 1247 CD2 TYR A 126 8.192 -4.640 -5.123 1.00 0.21 C ATOM 1248 CE1 TYR A 126 7.378 -4.627 -7.756 1.00 0.25 C ATOM 1249 CE2 TYR A 126 8.744 -5.531 -6.023 1.00 0.27 C ATOM 1250 CZ TYR A 126 8.332 -5.516 -7.336 1.00 0.28 C ATOM 1251 OH TYR A 126 8.876 -6.400 -8.236 1.00 0.36 O ATOM 0 H TYR A 126 8.347 -1.527 -5.607 1.00 0.07 H new ATOM 0 HA TYR A 126 5.481 -1.543 -5.906 1.00 0.08 H new ATOM 0 HB2 TYR A 126 7.338 -2.592 -3.723 1.00 0.11 H new ATOM 0 HB3 TYR A 126 5.731 -3.177 -4.104 1.00 0.11 H new ATOM 0 HD1 TYR A 126 6.071 -3.050 -7.185 1.00 0.18 H new ATOM 0 HD2 TYR A 126 8.521 -4.649 -4.094 1.00 0.21 H new ATOM 0 HE1 TYR A 126 7.061 -4.617 -8.788 1.00 0.25 H new ATOM 0 HE2 TYR A 126 9.495 -6.236 -5.698 1.00 0.27 H new ATOM 0 HH TYR A 126 9.690 -6.794 -7.857 1.00 0.36 H new ATOM 1261 N ILE A 127 6.822 0.189 -3.488 1.00 0.08 N ATOM 1262 CA ILE A 127 6.581 1.312 -2.602 1.00 0.11 C ATOM 1263 C ILE A 127 5.985 2.463 -3.377 1.00 0.12 C ATOM 1264 O ILE A 127 4.898 2.944 -3.063 1.00 0.14 O ATOM 1265 CB ILE A 127 7.902 1.763 -1.951 1.00 0.11 C ATOM 1266 CG1 ILE A 127 8.384 0.712 -0.963 1.00 0.12 C ATOM 1267 CG2 ILE A 127 7.752 3.108 -1.265 1.00 0.12 C ATOM 1268 CD1 ILE A 127 9.847 0.841 -0.636 1.00 0.13 C ATOM 0 H ILE A 127 7.794 -0.119 -3.510 1.00 0.08 H new ATOM 0 HA ILE A 127 5.883 1.001 -1.824 1.00 0.11 H new ATOM 0 HB ILE A 127 8.645 1.876 -2.740 1.00 0.11 H new ATOM 0 HG12 ILE A 127 7.803 0.792 -0.044 1.00 0.12 H new ATOM 0 HG13 ILE A 127 8.195 -0.280 -1.374 1.00 0.12 H new ATOM 0 HG21 ILE A 127 8.703 3.396 -0.816 1.00 0.12 H new ATOM 0 HG22 ILE A 127 7.454 3.859 -1.997 1.00 0.12 H new ATOM 0 HG23 ILE A 127 6.991 3.037 -0.488 1.00 0.12 H new ATOM 0 HD11 ILE A 127 10.131 0.064 0.073 1.00 0.13 H new ATOM 0 HD12 ILE A 127 10.435 0.733 -1.548 1.00 0.13 H new ATOM 0 HD13 ILE A 127 10.037 1.820 -0.196 1.00 0.13 H new ATOM 1280 N ASN A 128 6.699 2.880 -4.409 1.00 0.12 N ATOM 1281 CA ASN A 128 6.230 3.949 -5.277 1.00 0.15 C ATOM 1282 C ASN A 128 4.912 3.556 -5.944 1.00 0.12 C ATOM 1283 O ASN A 128 4.038 4.395 -6.135 1.00 0.12 O ATOM 1284 CB ASN A 128 7.280 4.288 -6.341 1.00 0.20 C ATOM 1285 CG ASN A 128 8.458 5.090 -5.800 1.00 0.30 C ATOM 1286 OD1 ASN A 128 8.430 6.321 -5.779 1.00 0.82 O ATOM 1287 ND2 ASN A 128 9.506 4.393 -5.382 1.00 0.42 N ATOM 0 H ASN A 128 7.607 2.494 -4.667 1.00 0.12 H new ATOM 0 HA ASN A 128 6.063 4.835 -4.664 1.00 0.15 H new ATOM 0 HB2 ASN A 128 7.652 3.363 -6.780 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.804 4.853 -7.143 1.00 0.20 H new ATOM 0 HD21 ASN A 128 10.331 4.876 -5.026 1.00 0.42 H new ATOM 0 HD22 ASN A 128 9.487 3.374 -5.417 1.00 0.42 H new ATOM 1294 N GLU A 129 4.777 2.278 -6.278 1.00 0.11 N ATOM 1295 CA GLU A 129 3.572 1.733 -6.890 1.00 0.10 C ATOM 1296 C GLU A 129 2.361 1.914 -5.995 1.00 0.09 C ATOM 1297 O GLU A 129 1.328 2.422 -6.421 1.00 0.14 O ATOM 1298 CB GLU A 129 3.780 0.244 -7.171 1.00 0.14 C ATOM 1299 CG GLU A 129 3.350 -0.156 -8.541 1.00 0.26 C ATOM 1300 CD GLU A 129 3.905 -1.497 -8.990 1.00 1.41 C ATOM 1301 OE1 GLU A 129 3.277 -2.534 -8.696 1.00 1.55 O ATOM 1302 OE2 GLU A 129 4.955 -1.515 -9.671 1.00 2.29 O ATOM 0 H GLU A 129 5.509 1.584 -6.130 1.00 0.11 H new ATOM 0 HA GLU A 129 3.387 2.273 -7.819 1.00 0.10 H new ATOM 0 HB2 GLU A 129 4.834 -0.001 -7.041 1.00 0.14 H new ATOM 0 HB3 GLU A 129 3.224 -0.340 -6.437 1.00 0.14 H new ATOM 0 HG2 GLU A 129 2.261 -0.195 -8.573 1.00 0.26 H new ATOM 0 HG3 GLU A 129 3.663 0.612 -9.249 1.00 0.26 H new ATOM 1309 N LEU A 130 2.525 1.529 -4.746 1.00 0.07 N ATOM 1310 CA LEU A 130 1.454 1.535 -3.782 1.00 0.08 C ATOM 1311 C LEU A 130 1.152 2.959 -3.418 1.00 0.09 C ATOM 1312 O LEU A 130 0.006 3.360 -3.281 1.00 0.10 O ATOM 1313 CB LEU A 130 1.880 0.767 -2.546 1.00 0.08 C ATOM 1314 CG LEU A 130 0.733 0.241 -1.718 1.00 0.09 C ATOM 1315 CD1 LEU A 130 0.023 -0.860 -2.471 1.00 0.10 C ATOM 1316 CD2 LEU A 130 1.241 -0.249 -0.382 1.00 0.08 C ATOM 0 H LEU A 130 3.415 1.201 -4.372 1.00 0.07 H new ATOM 0 HA LEU A 130 0.566 1.062 -4.201 1.00 0.08 H new ATOM 0 HB2 LEU A 130 2.507 -0.071 -2.851 1.00 0.08 H new ATOM 0 HB3 LEU A 130 2.495 1.416 -1.923 1.00 0.08 H new ATOM 0 HG LEU A 130 0.019 1.044 -1.533 1.00 0.09 H new ATOM 0 HD11 LEU A 130 -0.804 -1.237 -1.870 1.00 0.10 H new ATOM 0 HD12 LEU A 130 -0.362 -0.467 -3.412 1.00 0.10 H new ATOM 0 HD13 LEU A 130 0.722 -1.671 -2.675 1.00 0.10 H new ATOM 0 HD21 LEU A 130 0.406 -0.627 0.208 1.00 0.08 H new ATOM 0 HD22 LEU A 130 1.965 -1.048 -0.539 1.00 0.08 H new ATOM 0 HD23 LEU A 130 1.719 0.574 0.150 1.00 0.08 H new ATOM 1328 N CYS A 131 2.216 3.717 -3.293 1.00 0.11 N ATOM 1329 CA CYS A 131 2.137 5.128 -3.056 1.00 0.13 C ATOM 1330 C CYS A 131 1.367 5.819 -4.183 1.00 0.13 C ATOM 1331 O CYS A 131 0.519 6.675 -3.934 1.00 0.14 O ATOM 1332 CB CYS A 131 3.557 5.657 -2.953 1.00 0.18 C ATOM 1333 SG CYS A 131 4.308 5.462 -1.321 1.00 1.39 S ATOM 0 H CYS A 131 3.170 3.361 -3.355 1.00 0.11 H new ATOM 0 HA CYS A 131 1.597 5.333 -2.131 1.00 0.13 H new ATOM 0 HB2 CYS A 131 4.177 5.145 -3.689 1.00 0.18 H new ATOM 0 HB3 CYS A 131 3.558 6.715 -3.216 1.00 0.18 H new ATOM 0 HG CYS A 131 4.690 6.623 -0.878 1.00 1.39 H new ATOM 1339 N THR A 132 1.657 5.422 -5.418 1.00 0.12 N ATOM 1340 CA THR A 132 0.943 5.931 -6.585 1.00 0.14 C ATOM 1341 C THR A 132 -0.517 5.495 -6.532 1.00 0.11 C ATOM 1342 O THR A 132 -1.427 6.287 -6.768 1.00 0.15 O ATOM 1343 CB THR A 132 1.592 5.428 -7.893 1.00 0.17 C ATOM 1344 OG1 THR A 132 2.951 5.878 -7.971 1.00 0.20 O ATOM 1345 CG2 THR A 132 0.826 5.913 -9.113 1.00 0.24 C ATOM 0 H THR A 132 2.387 4.744 -5.638 1.00 0.12 H new ATOM 0 HA THR A 132 0.998 7.020 -6.571 1.00 0.14 H new ATOM 0 HB THR A 132 1.565 4.338 -7.882 1.00 0.17 H new ATOM 0 HG1 THR A 132 3.545 5.192 -7.600 1.00 0.20 H new ATOM 0 HG21 THR A 132 1.309 5.542 -10.017 1.00 0.24 H new ATOM 0 HG22 THR A 132 -0.198 5.543 -9.070 1.00 0.24 H new ATOM 0 HG23 THR A 132 0.818 7.003 -9.128 1.00 0.24 H new ATOM 1353 N VAL A 133 -0.716 4.227 -6.220 1.00 0.09 N ATOM 1354 CA VAL A 133 -2.033 3.656 -5.981 1.00 0.07 C ATOM 1355 C VAL A 133 -2.829 4.461 -4.968 1.00 0.07 C ATOM 1356 O VAL A 133 -3.966 4.857 -5.215 1.00 0.08 O ATOM 1357 CB VAL A 133 -1.860 2.221 -5.473 1.00 0.07 C ATOM 1358 CG1 VAL A 133 -3.061 1.733 -4.691 1.00 0.08 C ATOM 1359 CG2 VAL A 133 -1.572 1.304 -6.631 1.00 0.10 C ATOM 0 H VAL A 133 0.044 3.553 -6.124 1.00 0.09 H new ATOM 0 HA VAL A 133 -2.588 3.672 -6.919 1.00 0.07 H new ATOM 0 HB VAL A 133 -1.016 2.215 -4.783 1.00 0.07 H new ATOM 0 HG11 VAL A 133 -2.885 0.711 -4.355 1.00 0.08 H new ATOM 0 HG12 VAL A 133 -3.219 2.378 -3.826 1.00 0.08 H new ATOM 0 HG13 VAL A 133 -3.945 1.758 -5.328 1.00 0.08 H new ATOM 0 HG21 VAL A 133 -1.450 0.284 -6.266 1.00 0.10 H new ATOM 0 HG22 VAL A 133 -2.401 1.339 -7.338 1.00 0.10 H new ATOM 0 HG23 VAL A 133 -0.657 1.623 -7.129 1.00 0.10 H new ATOM 1369 N LEU A 134 -2.213 4.703 -3.833 1.00 0.10 N ATOM 1370 CA LEU A 134 -2.854 5.408 -2.744 1.00 0.11 C ATOM 1371 C LEU A 134 -3.128 6.850 -3.128 1.00 0.14 C ATOM 1372 O LEU A 134 -4.161 7.399 -2.779 1.00 0.18 O ATOM 1373 CB LEU A 134 -1.965 5.339 -1.517 1.00 0.12 C ATOM 1374 CG LEU A 134 -1.710 3.926 -1.000 1.00 0.12 C ATOM 1375 CD1 LEU A 134 -0.607 3.930 0.039 1.00 0.17 C ATOM 1376 CD2 LEU A 134 -2.991 3.337 -0.433 1.00 0.16 C ATOM 0 H LEU A 134 -1.254 4.417 -3.638 1.00 0.10 H new ATOM 0 HA LEU A 134 -3.811 4.937 -2.522 1.00 0.11 H new ATOM 0 HB2 LEU A 134 -1.008 5.805 -1.751 1.00 0.12 H new ATOM 0 HB3 LEU A 134 -2.420 5.927 -0.720 1.00 0.12 H new ATOM 0 HG LEU A 134 -1.384 3.301 -1.832 1.00 0.12 H new ATOM 0 HD11 LEU A 134 -0.440 2.914 0.396 1.00 0.17 H new ATOM 0 HD12 LEU A 134 0.311 4.314 -0.406 1.00 0.17 H new ATOM 0 HD13 LEU A 134 -0.898 4.565 0.876 1.00 0.17 H new ATOM 0 HD21 LEU A 134 -2.797 2.329 -0.067 1.00 0.16 H new ATOM 0 HD22 LEU A 134 -3.345 3.959 0.389 1.00 0.16 H new ATOM 0 HD23 LEU A 134 -3.751 3.300 -1.213 1.00 0.16 H new ATOM 1388 N LYS A 135 -2.210 7.436 -3.892 1.00 0.14 N ATOM 1389 CA LYS A 135 -2.326 8.775 -4.380 1.00 0.17 C ATOM 1390 C LYS A 135 -3.449 8.843 -5.401 1.00 0.15 C ATOM 1391 O LYS A 135 -4.102 9.870 -5.575 1.00 0.18 O ATOM 1392 CB LYS A 135 -0.987 9.142 -5.017 1.00 0.23 C ATOM 1393 CG LYS A 135 -0.661 10.602 -4.942 1.00 0.56 C ATOM 1394 CD LYS A 135 -1.488 11.394 -5.927 1.00 0.68 C ATOM 1395 CE LYS A 135 -1.059 11.120 -7.362 1.00 1.32 C ATOM 1396 NZ LYS A 135 -1.629 12.106 -8.316 1.00 1.82 N ATOM 0 H LYS A 135 -1.352 6.969 -4.186 1.00 0.14 H new ATOM 0 HA LYS A 135 -2.561 9.474 -3.577 1.00 0.17 H new ATOM 0 HB2 LYS A 135 -0.195 8.577 -4.526 1.00 0.23 H new ATOM 0 HB3 LYS A 135 -0.997 8.835 -6.063 1.00 0.23 H new ATOM 0 HG2 LYS A 135 -0.844 10.967 -3.932 1.00 0.56 H new ATOM 0 HG3 LYS A 135 0.399 10.752 -5.148 1.00 0.56 H new ATOM 0 HD2 LYS A 135 -2.541 11.141 -5.806 1.00 0.68 H new ATOM 0 HD3 LYS A 135 -1.390 12.458 -5.714 1.00 0.68 H new ATOM 0 HE2 LYS A 135 0.029 11.143 -7.425 1.00 1.32 H new ATOM 0 HE3 LYS A 135 -1.374 10.116 -7.648 1.00 1.32 H new ATOM 0 HZ1 LYS A 135 -1.310 11.881 -9.280 1.00 1.82 H new ATOM 0 HZ2 LYS A 135 -2.668 12.067 -8.276 1.00 1.82 H new ATOM 0 HZ3 LYS A 135 -1.309 13.062 -8.060 1.00 1.82 H new ATOM 1410 N ALA A 136 -3.677 7.719 -6.052 1.00 0.13 N ATOM 1411 CA ALA A 136 -4.695 7.611 -7.063 1.00 0.14 C ATOM 1412 C ALA A 136 -6.066 7.496 -6.417 1.00 0.16 C ATOM 1413 O ALA A 136 -7.077 7.917 -6.980 1.00 0.21 O ATOM 1414 CB ALA A 136 -4.408 6.394 -7.923 1.00 0.17 C ATOM 0 H ALA A 136 -3.157 6.857 -5.890 1.00 0.13 H new ATOM 0 HA ALA A 136 -4.689 8.504 -7.687 1.00 0.14 H new ATOM 0 HB1 ALA A 136 -5.174 6.303 -8.693 1.00 0.17 H new ATOM 0 HB2 ALA A 136 -3.431 6.504 -8.395 1.00 0.17 H new ATOM 0 HB3 ALA A 136 -4.412 5.499 -7.300 1.00 0.17 H new ATOM 1420 N HIS A 137 -6.087 6.919 -5.223 1.00 0.18 N ATOM 1421 CA HIS A 137 -7.336 6.618 -4.547 1.00 0.23 C ATOM 1422 C HIS A 137 -7.348 7.203 -3.141 1.00 0.24 C ATOM 1423 O HIS A 137 -7.805 6.567 -2.193 1.00 0.25 O ATOM 1424 CB HIS A 137 -7.557 5.100 -4.503 1.00 0.24 C ATOM 1425 CG HIS A 137 -7.321 4.431 -5.826 1.00 0.26 C ATOM 1426 ND1 HIS A 137 -6.449 3.464 -6.186 1.00 0.29 N flip ATOM 1427 CD2 HIS A 137 -7.967 4.806 -6.981 1.00 0.30 C flip ATOM 1428 CE1 HIS A 137 -6.576 3.280 -7.537 1.00 0.32 C flip ATOM 1429 NE2 HIS A 137 -7.496 4.104 -7.992 1.00 0.34 N flip ATOM 0 H HIS A 137 -5.251 6.651 -4.704 1.00 0.18 H new ATOM 0 HA HIS A 137 -8.152 7.076 -5.107 1.00 0.23 H new ATOM 0 HB2 HIS A 137 -6.891 4.664 -3.758 1.00 0.24 H new ATOM 0 HB3 HIS A 137 -8.577 4.897 -4.177 1.00 0.24 H new ATOM 0 HD1 HIS A 137 -5.813 2.963 -5.566 1.00 0.29 H new ATOM 0 HD2 HIS A 137 -8.739 5.558 -7.049 1.00 0.30 H new ATOM 0 HE1 HIS A 137 -6.014 2.575 -8.131 1.00 0.32 H new