USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 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: B 142 GLN : amide:sc=-0.00625 K(o=0.69,f=-2.4) USER MOD Set 1.2: B 182 ASN : amide:sc= 0.7 K(o=0.69,f=-9.2!) USER MOD Single : B 134 GLN : amide:sc= -2.4! C(o=-2.4!,f=-7.3!) USER MOD Single : B 137 SER OG : rot -21:sc= -4.72! USER MOD Single : B 138 SER OG : rot 127:sc= -0.258 USER MOD Single : B 140 ASN : amide:sc= -8.63! C(o=-8.6!,f=-14!) USER MOD Single : B 145 GLN : amide:sc= 0.62 K(o=0.62,f=-2.3!) USER MOD Single : B 152 SER OG : rot 98:sc= 1.3 USER MOD Single : B 153 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 159 ASN : amide:sc= -0.0166 K(o=-0.017,f=-0.61) USER MOD Single : B 161 GLN : amide:sc= -0.409 K(o=-0.41,f=-8.5!) USER MOD Single : B 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 163 GLN : amide:sc= -0.499 K(o=-0.5,f=-1.7!) USER MOD Single : B 166 LYS NZ :NH3+ -142:sc= 0 (180deg=-1.01) USER MOD Single : B 173 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.11) USER MOD Single : B 176 GLN : amide:sc= -0.0385 X(o=-0.038,f=-0.35) USER MOD Single : B 178 GLN :FLIP amide:sc= -0.286 F(o=-1.2,f=-0.29) USER MOD Single : B 179 SER OG : rot -40:sc= 0.193 USER MOD Single : B 180 HIS : no HE2:sc= 0.835 K(o=0.83,f=-3.9!) USER MOD Single : B 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 186 GLN : amide:sc= -0.204 K(o=-0.2,f=-4.6!) USER MOD Single : B 187 LYS NZ :NH3+ -156:sc= 0.996 (180deg=-0.618!) USER MOD Single : B 190 GLN : amide:sc= -2.52! C(o=-2.5!,f=-7.9!) USER MOD Single : B 195 LYS NZ :NH3+ -133:sc= 1.17 (180deg=0.865) USER MOD Single : B 197 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 198 SER OG : rot 180:sc= 0 USER MOD Single : B 199 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -13.142 -2.851 1.113 1.00 55.53 N ATOM 177 CA LEU B 129 -11.879 -3.217 1.756 1.00 45.21 C ATOM 178 C LEU B 129 -10.677 -3.314 0.775 1.00 33.52 C ATOM 179 O LEU B 129 -9.636 -2.750 1.056 1.00 22.43 O ATOM 180 CB LEU B 129 -11.988 -4.472 2.673 1.00 71.14 C ATOM 181 CG LEU B 129 -12.903 -4.372 3.929 1.00 72.10 C ATOM 182 CD1 LEU B 129 -12.617 -3.118 4.745 1.00 71.02 C ATOM 183 CD2 LEU B 129 -14.383 -4.477 3.584 1.00 45.41 C ATOM 0 HA LEU B 129 -11.661 -2.375 2.413 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -12.344 -5.303 2.064 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -10.984 -4.730 3.009 1.00 71.14 H new ATOM 0 HG LEU B 129 -12.658 -5.234 4.550 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -13.278 -3.089 5.611 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -11.580 -3.131 5.080 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -12.788 -2.236 4.128 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -14.975 -4.401 4.496 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -14.657 -3.669 2.905 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -14.577 -5.436 3.104 1.00 45.41 H new ATOM 195 N PRO B 130 -10.787 -4.011 -0.399 1.00 0.32 N ATOM 196 CA PRO B 130 -9.689 -4.075 -1.377 1.00 63.11 C ATOM 197 C PRO B 130 -9.235 -2.708 -1.876 1.00 21.50 C ATOM 198 O PRO B 130 -8.088 -2.542 -2.228 1.00 1.14 O ATOM 199 CB PRO B 130 -10.279 -4.865 -2.537 1.00 74.52 C ATOM 200 CG PRO B 130 -11.331 -5.690 -1.912 1.00 3.43 C ATOM 201 CD PRO B 130 -11.931 -4.821 -0.858 1.00 14.32 C ATOM 0 HA PRO B 130 -8.803 -4.522 -0.927 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -10.691 -4.205 -3.300 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -9.524 -5.483 -3.023 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -12.079 -5.996 -2.644 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -10.914 -6.601 -1.482 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.731 -4.198 -1.257 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.359 -5.409 -0.047 1.00 14.32 H new ATOM 209 N ALA B 131 -10.112 -1.718 -1.845 1.00 12.31 N ATOM 210 CA ALA B 131 -9.790 -0.401 -2.397 1.00 41.31 C ATOM 211 C ALA B 131 -8.691 0.317 -1.610 1.00 3.12 C ATOM 212 O ALA B 131 -8.077 1.255 -2.112 1.00 52.45 O ATOM 213 CB ALA B 131 -11.032 0.457 -2.542 1.00 12.14 C ATOM 0 H ALA B 131 -11.048 -1.794 -1.447 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.387 -0.571 -3.396 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -10.757 1.428 -2.954 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -11.738 -0.035 -3.211 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -11.495 0.596 -1.565 1.00 12.14 H new ATOM 219 N LEU B 132 -8.441 -0.120 -0.390 1.00 31.23 N ATOM 220 CA LEU B 132 -7.353 0.450 0.374 1.00 71.30 C ATOM 221 C LEU B 132 -6.035 -0.233 0.017 1.00 32.55 C ATOM 222 O LEU B 132 -4.961 0.336 0.181 1.00 34.51 O ATOM 223 CB LEU B 132 -7.651 0.429 1.906 1.00 34.00 C ATOM 224 CG LEU B 132 -7.906 -0.932 2.599 1.00 41.21 C ATOM 225 CD1 LEU B 132 -6.621 -1.701 2.881 1.00 25.22 C ATOM 226 CD2 LEU B 132 -8.721 -0.751 3.867 1.00 65.03 C ATOM 0 H LEU B 132 -8.967 -0.854 0.084 1.00 31.23 H new ATOM 0 HA LEU B 132 -7.255 1.501 0.104 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -6.811 0.904 2.412 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -8.525 1.057 2.081 1.00 34.00 H new ATOM 0 HG LEU B 132 -8.482 -1.536 1.898 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -6.862 -2.646 3.367 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -6.101 -1.897 1.943 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -5.979 -1.110 3.535 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -8.886 -1.721 4.335 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -8.181 -0.103 4.557 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -9.682 -0.299 3.621 1.00 65.03 H new ATOM 238 N VAL B 133 -6.130 -1.473 -0.413 1.00 20.30 N ATOM 239 CA VAL B 133 -4.968 -2.231 -0.787 1.00 2.44 C ATOM 240 C VAL B 133 -4.557 -1.995 -2.234 1.00 41.43 C ATOM 241 O VAL B 133 -3.400 -1.984 -2.544 1.00 11.14 O ATOM 242 CB VAL B 133 -5.147 -3.748 -0.511 1.00 33.41 C ATOM 243 CG1 VAL B 133 -5.713 -4.510 -1.662 1.00 1.21 C ATOM 244 CG2 VAL B 133 -3.888 -4.376 -0.035 1.00 60.04 C ATOM 0 H VAL B 133 -7.012 -1.976 -0.511 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.159 -1.867 -0.154 1.00 2.44 H new ATOM 0 HB VAL B 133 -5.888 -3.803 0.287 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -5.808 -5.562 -1.391 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -6.695 -4.111 -1.915 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.050 -4.415 -2.522 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.057 -5.437 0.146 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.113 -4.256 -0.792 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -3.569 -3.896 0.890 1.00 60.04 H new ATOM 254 N GLN B 134 -5.542 -1.805 -3.092 1.00 51.03 N ATOM 255 CA GLN B 134 -5.346 -1.805 -4.550 1.00 1.43 C ATOM 256 C GLN B 134 -4.181 -0.967 -5.069 1.00 10.22 C ATOM 257 O GLN B 134 -3.368 -1.452 -5.879 1.00 3.33 O ATOM 258 CB GLN B 134 -6.620 -1.497 -5.331 1.00 62.21 C ATOM 259 CG GLN B 134 -7.714 -2.560 -5.226 1.00 72.32 C ATOM 260 CD GLN B 134 -7.285 -3.952 -5.694 1.00 12.24 C ATOM 261 OE1 GLN B 134 -6.125 -4.340 -5.603 1.00 42.42 O ATOM 262 NE2 GLN B 134 -8.214 -4.706 -6.194 1.00 42.35 N ATOM 0 H GLN B 134 -6.508 -1.645 -2.807 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.064 -2.840 -4.742 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.023 -0.547 -4.980 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.362 -1.365 -6.382 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -8.044 -2.624 -4.189 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.573 -2.240 -5.815 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -9.171 -4.360 -6.259 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -7.987 -5.645 -6.522 1.00 42.35 H new ATOM 271 N LEU B 135 -4.096 0.257 -4.602 1.00 31.00 N ATOM 272 CA LEU B 135 -3.032 1.191 -4.985 1.00 53.40 C ATOM 273 C LEU B 135 -1.617 0.641 -4.728 1.00 44.52 C ATOM 274 O LEU B 135 -0.678 1.067 -5.355 1.00 61.22 O ATOM 275 CB LEU B 135 -3.209 2.610 -4.349 1.00 12.34 C ATOM 276 CG LEU B 135 -3.338 2.725 -2.802 1.00 11.04 C ATOM 277 CD1 LEU B 135 -3.154 4.179 -2.355 1.00 24.03 C ATOM 278 CD2 LEU B 135 -4.707 2.236 -2.334 1.00 52.53 C ATOM 0 H LEU B 135 -4.764 0.648 -3.938 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.136 1.304 -6.064 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -2.358 3.218 -4.656 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.098 3.061 -4.789 1.00 12.34 H new ATOM 0 HG LEU B 135 -2.561 2.103 -2.358 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -3.247 4.241 -1.271 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -2.166 4.530 -2.655 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -3.917 4.802 -2.821 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -4.774 2.326 -1.250 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -5.487 2.840 -2.797 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -4.838 1.193 -2.621 1.00 52.53 H new ATOM 290 N LEU B 136 -1.497 -0.343 -3.854 1.00 21.22 N ATOM 291 CA LEU B 136 -0.240 -0.959 -3.509 1.00 44.41 C ATOM 292 C LEU B 136 0.371 -1.723 -4.686 1.00 40.11 C ATOM 293 O LEU B 136 1.564 -1.776 -4.838 1.00 61.31 O ATOM 294 CB LEU B 136 -0.490 -1.892 -2.341 1.00 1.14 C ATOM 295 CG LEU B 136 -0.201 -1.384 -0.918 1.00 52.41 C ATOM 296 CD1 LEU B 136 1.272 -1.050 -0.738 1.00 41.23 C ATOM 297 CD2 LEU B 136 -1.071 -0.175 -0.575 1.00 34.05 C ATOM 0 H LEU B 136 -2.293 -0.741 -3.356 1.00 21.22 H new ATOM 0 HA LEU B 136 0.478 -0.184 -3.241 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -1.536 -2.196 -2.378 1.00 1.14 H new ATOM 0 HB3 LEU B 136 0.108 -2.789 -2.500 1.00 1.14 H new ATOM 0 HG LEU B 136 -0.451 -2.190 -0.228 1.00 52.41 H new ATOM 0 HD11 LEU B 136 1.443 -0.694 0.278 1.00 41.23 H new ATOM 0 HD12 LEU B 136 1.872 -1.943 -0.915 1.00 41.23 H new ATOM 0 HD13 LEU B 136 1.558 -0.274 -1.447 1.00 41.23 H new ATOM 0 HD21 LEU B 136 -0.844 0.161 0.437 1.00 34.05 H new ATOM 0 HD22 LEU B 136 -0.868 0.631 -1.280 1.00 34.05 H new ATOM 0 HD23 LEU B 136 -2.123 -0.454 -0.637 1.00 34.05 H new ATOM 309 N SER B 137 -0.453 -2.277 -5.526 1.00 11.45 N ATOM 310 CA SER B 137 0.031 -3.044 -6.658 1.00 2.00 C ATOM 311 C SER B 137 -0.137 -2.246 -7.972 1.00 23.45 C ATOM 312 O SER B 137 -0.197 -2.815 -9.059 1.00 1.12 O ATOM 313 CB SER B 137 -0.677 -4.386 -6.726 1.00 70.13 C ATOM 314 OG SER B 137 -0.374 -5.133 -5.581 1.00 44.15 O ATOM 0 H SER B 137 -1.469 -2.217 -5.456 1.00 11.45 H new ATOM 0 HA SER B 137 1.096 -3.233 -6.524 1.00 2.00 H new ATOM 0 HB2 SER B 137 -1.754 -4.237 -6.802 1.00 70.13 H new ATOM 0 HB3 SER B 137 -0.367 -4.928 -7.619 1.00 70.13 H new ATOM 0 HG SER B 137 0.455 -4.797 -5.181 1.00 44.15 H new ATOM 320 N SER B 138 -0.180 -0.941 -7.820 1.00 30.13 N ATOM 321 CA SER B 138 -0.424 0.060 -8.860 1.00 70.24 C ATOM 322 C SER B 138 0.349 -0.117 -10.200 1.00 64.22 C ATOM 323 O SER B 138 1.396 -0.801 -10.285 1.00 31.04 O ATOM 324 CB SER B 138 -0.056 1.396 -8.244 1.00 65.30 C ATOM 325 OG SER B 138 1.191 1.295 -7.575 1.00 2.10 O ATOM 0 H SER B 138 -0.037 -0.511 -6.906 1.00 30.13 H new ATOM 0 HA SER B 138 -1.469 -0.036 -9.155 1.00 70.24 H new ATOM 0 HB2 SER B 138 -0.001 2.160 -9.019 1.00 65.30 H new ATOM 0 HB3 SER B 138 -0.830 1.708 -7.543 1.00 65.30 H new ATOM 0 HG SER B 138 1.792 1.999 -7.896 1.00 2.10 H new ATOM 331 N PRO B 139 -0.166 0.546 -11.269 1.00 3.54 N ATOM 332 CA PRO B 139 0.462 0.588 -12.613 1.00 24.41 C ATOM 333 C PRO B 139 1.671 1.511 -12.570 1.00 3.55 C ATOM 334 O PRO B 139 2.668 1.337 -13.268 1.00 33.11 O ATOM 335 CB PRO B 139 -0.605 1.349 -13.448 1.00 51.14 C ATOM 336 CG PRO B 139 -1.232 2.202 -12.409 1.00 12.24 C ATOM 337 CD PRO B 139 -1.445 1.297 -11.272 1.00 64.24 C ATOM 0 HA PRO B 139 0.753 -0.397 -12.979 1.00 24.41 H new ATOM 0 HB2 PRO B 139 -0.157 1.938 -14.248 1.00 51.14 H new ATOM 0 HB3 PRO B 139 -1.322 0.673 -13.913 1.00 51.14 H new ATOM 0 HG2 PRO B 139 -0.586 3.036 -12.137 1.00 12.24 H new ATOM 0 HG3 PRO B 139 -2.172 2.628 -12.759 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -1.609 1.837 -10.339 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -2.306 0.645 -11.419 1.00 64.24 H new ATOM 345 N ASN B 140 1.547 2.475 -11.703 1.00 23.02 N ATOM 346 CA ASN B 140 2.382 3.579 -11.638 1.00 20.23 C ATOM 347 C ASN B 140 2.765 3.766 -10.212 1.00 43.12 C ATOM 348 O ASN B 140 1.882 3.860 -9.358 1.00 34.53 O ATOM 349 CB ASN B 140 1.587 4.842 -12.079 1.00 62.14 C ATOM 350 CG ASN B 140 2.436 6.057 -12.353 1.00 24.03 C ATOM 351 OD1 ASN B 140 1.985 7.165 -12.197 1.00 54.34 O ATOM 352 ND2 ASN B 140 3.660 5.862 -12.794 1.00 42.30 N ATOM 0 H ASN B 140 0.812 2.486 -10.996 1.00 23.02 H new ATOM 0 HA ASN B 140 3.253 3.436 -12.277 1.00 20.23 H new ATOM 0 HB2 ASN B 140 1.020 4.602 -12.978 1.00 62.14 H new ATOM 0 HB3 ASN B 140 0.864 5.089 -11.302 1.00 62.14 H new ATOM 0 HD21 ASN B 140 4.256 6.660 -13.014 1.00 42.30 H new ATOM 0 HD22 ASN B 140 4.013 4.913 -12.916 1.00 42.30 H new ATOM 359 N GLU B 141 4.041 3.823 -9.942 1.00 73.15 N ATOM 360 CA GLU B 141 4.540 4.088 -8.590 1.00 45.35 C ATOM 361 C GLU B 141 3.994 5.447 -8.124 1.00 73.44 C ATOM 362 O GLU B 141 3.572 5.631 -6.984 1.00 64.43 O ATOM 363 CB GLU B 141 6.078 4.115 -8.622 1.00 72.42 C ATOM 364 CG GLU B 141 6.705 2.806 -9.087 1.00 31.50 C ATOM 365 CD GLU B 141 8.220 2.857 -9.201 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.735 3.585 -10.073 1.00 2.24 O1- ATOM 367 OE2 GLU B 141 8.922 2.115 -8.465 1.00 72.31 O ATOM 0 H GLU B 141 4.774 3.690 -10.639 1.00 73.15 H new ATOM 0 HA GLU B 141 4.212 3.311 -7.900 1.00 45.35 H new ATOM 0 HB2 GLU B 141 6.405 4.919 -9.282 1.00 72.42 H new ATOM 0 HB3 GLU B 141 6.449 4.351 -7.625 1.00 72.42 H new ATOM 0 HG2 GLU B 141 6.429 2.014 -8.390 1.00 31.50 H new ATOM 0 HG3 GLU B 141 6.286 2.538 -10.057 1.00 31.50 H new ATOM 374 N GLN B 142 3.923 6.333 -9.075 1.00 51.13 N ATOM 375 CA GLN B 142 3.490 7.698 -8.903 1.00 31.54 C ATOM 376 C GLN B 142 2.013 7.811 -8.487 1.00 51.24 C ATOM 377 O GLN B 142 1.680 8.543 -7.552 1.00 5.41 O ATOM 378 CB GLN B 142 3.682 8.409 -10.221 1.00 3.13 C ATOM 379 CG GLN B 142 5.121 8.396 -10.757 1.00 43.42 C ATOM 380 CD GLN B 142 6.158 8.849 -9.739 1.00 72.43 C ATOM 381 OE1 GLN B 142 6.711 8.041 -9.001 1.00 44.11 O ATOM 382 NE2 GLN B 142 6.422 10.120 -9.691 1.00 63.34 N ATOM 0 H GLN B 142 4.177 6.117 -10.039 1.00 51.13 H new ATOM 0 HA GLN B 142 4.081 8.144 -8.103 1.00 31.54 H new ATOM 0 HB2 GLN B 142 3.029 7.951 -10.963 1.00 3.13 H new ATOM 0 HB3 GLN B 142 3.360 9.444 -10.109 1.00 3.13 H new ATOM 0 HG2 GLN B 142 5.367 7.387 -11.088 1.00 43.42 H new ATOM 0 HG3 GLN B 142 5.179 9.042 -11.633 1.00 43.42 H new ATOM 0 HE21 GLN B 142 5.943 10.764 -10.320 1.00 63.34 H new ATOM 0 HE22 GLN B 142 7.108 10.474 -9.024 1.00 63.34 H new ATOM 391 N ILE B 143 1.130 7.080 -9.177 1.00 34.31 N ATOM 392 CA ILE B 143 -0.317 7.184 -8.929 1.00 21.53 C ATOM 393 C ILE B 143 -0.671 6.687 -7.533 1.00 1.45 C ATOM 394 O ILE B 143 -1.666 7.114 -6.941 1.00 53.35 O ATOM 395 CB ILE B 143 -1.174 6.472 -10.035 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.033 4.960 -10.036 1.00 73.10 C ATOM 397 CG2 ILE B 143 -0.951 7.062 -11.384 1.00 44.30 C ATOM 398 CD1 ILE B 143 -2.064 4.266 -9.180 1.00 51.44 C ATOM 0 H ILE B 143 1.387 6.415 -9.906 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.572 8.242 -8.983 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.213 6.664 -9.769 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -1.115 4.595 -11.060 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.037 4.694 -9.681 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -1.565 6.538 -12.116 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -1.225 8.117 -11.370 1.00 44.30 H new ATOM 0 HG23 ILE B 143 0.100 6.964 -11.655 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -1.908 3.188 -9.224 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -1.968 4.605 -8.148 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -3.062 4.503 -9.548 1.00 51.44 H new ATOM 410 N LEU B 144 0.170 5.802 -7.025 1.00 55.31 N ATOM 411 CA LEU B 144 0.040 5.247 -5.700 1.00 51.23 C ATOM 412 C LEU B 144 0.213 6.371 -4.681 1.00 35.13 C ATOM 413 O LEU B 144 -0.625 6.561 -3.806 1.00 44.33 O ATOM 414 CB LEU B 144 1.108 4.115 -5.539 1.00 3.21 C ATOM 415 CG LEU B 144 1.206 3.330 -4.204 1.00 52.24 C ATOM 416 CD1 LEU B 144 2.031 2.084 -4.404 1.00 13.41 C ATOM 417 CD2 LEU B 144 1.884 4.136 -3.139 1.00 24.12 C ATOM 0 H LEU B 144 0.977 5.446 -7.537 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.943 4.806 -5.535 1.00 51.23 H new ATOM 0 HB2 LEU B 144 0.932 3.388 -6.332 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.085 4.561 -5.726 1.00 3.21 H new ATOM 0 HG LEU B 144 0.187 3.093 -3.897 1.00 52.24 H new ATOM 0 HD11 LEU B 144 2.097 1.536 -3.464 1.00 13.41 H new ATOM 0 HD12 LEU B 144 1.561 1.454 -5.159 1.00 13.41 H new ATOM 0 HD13 LEU B 144 3.033 2.360 -4.734 1.00 13.41 H new ATOM 0 HD21 LEU B 144 1.934 3.554 -2.219 1.00 24.12 H new ATOM 0 HD22 LEU B 144 2.893 4.391 -3.463 1.00 24.12 H new ATOM 0 HD23 LEU B 144 1.319 5.050 -2.959 1.00 24.12 H new ATOM 429 N GLN B 145 1.278 7.137 -4.857 1.00 62.02 N ATOM 430 CA GLN B 145 1.646 8.231 -3.968 1.00 14.14 C ATOM 431 C GLN B 145 0.582 9.305 -3.907 1.00 53.32 C ATOM 432 O GLN B 145 0.112 9.646 -2.827 1.00 13.44 O ATOM 433 CB GLN B 145 2.979 8.802 -4.405 1.00 31.14 C ATOM 434 CG GLN B 145 4.061 7.756 -4.408 1.00 35.44 C ATOM 435 CD GLN B 145 5.395 8.256 -4.893 1.00 5.04 C ATOM 436 OE1 GLN B 145 5.671 8.258 -6.085 1.00 4.41 O ATOM 437 NE2 GLN B 145 6.269 8.582 -3.980 1.00 60.40 N ATOM 0 H GLN B 145 1.924 7.014 -5.637 1.00 62.02 H new ATOM 0 HA GLN B 145 1.735 7.835 -2.956 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.882 9.228 -5.404 1.00 31.14 H new ATOM 0 HB3 GLN B 145 3.262 9.616 -3.738 1.00 31.14 H new ATOM 0 HG2 GLN B 145 4.177 7.365 -3.397 1.00 35.44 H new ATOM 0 HG3 GLN B 145 3.746 6.924 -5.037 1.00 35.44 H new ATOM 0 HE21 GLN B 145 6.006 8.570 -2.995 1.00 60.40 H new ATOM 0 HE22 GLN B 145 7.215 8.849 -4.252 1.00 60.40 H new ATOM 446 N GLU B 146 0.186 9.817 -5.056 1.00 55.14 N ATOM 447 CA GLU B 146 -0.838 10.841 -5.108 1.00 32.43 C ATOM 448 C GLU B 146 -2.173 10.364 -4.520 1.00 61.02 C ATOM 449 O GLU B 146 -2.880 11.142 -3.865 1.00 62.21 O ATOM 450 CB GLU B 146 -1.031 11.390 -6.515 1.00 61.15 C ATOM 451 CG GLU B 146 -1.192 10.346 -7.588 1.00 73.43 C ATOM 452 CD GLU B 146 -1.830 10.887 -8.832 1.00 74.32 C ATOM 453 OE1 GLU B 146 -1.273 11.797 -9.481 1.00 22.34 O1- ATOM 454 OE2 GLU B 146 -2.932 10.440 -9.172 1.00 3.34 O ATOM 0 H GLU B 146 0.558 9.541 -5.965 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.478 11.657 -4.481 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -1.911 12.034 -6.520 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -0.175 12.017 -6.765 1.00 61.15 H new ATOM 0 HG2 GLU B 146 -0.214 9.933 -7.836 1.00 73.43 H new ATOM 0 HG3 GLU B 146 -1.796 9.525 -7.202 1.00 73.43 H new ATOM 461 N ALA B 147 -2.515 9.094 -4.740 1.00 15.44 N ATOM 462 CA ALA B 147 -3.749 8.538 -4.181 1.00 72.45 C ATOM 463 C ALA B 147 -3.646 8.369 -2.674 1.00 11.52 C ATOM 464 O ALA B 147 -4.643 8.530 -1.949 1.00 71.22 O ATOM 465 CB ALA B 147 -4.113 7.213 -4.829 1.00 4.23 C ATOM 0 H ALA B 147 -1.964 8.438 -5.293 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.543 9.253 -4.398 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.034 6.833 -4.387 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.257 7.359 -5.900 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.309 6.495 -4.666 1.00 4.23 H new ATOM 471 N LEU B 148 -2.438 8.079 -2.201 1.00 50.13 N ATOM 472 CA LEU B 148 -2.171 7.864 -0.791 1.00 10.21 C ATOM 473 C LEU B 148 -2.588 9.019 0.044 1.00 72.25 C ATOM 474 O LEU B 148 -3.074 8.819 1.114 1.00 11.01 O ATOM 475 CB LEU B 148 -0.706 7.594 -0.523 1.00 24.22 C ATOM 476 CG LEU B 148 -0.208 6.182 -0.710 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.280 6.168 -0.504 1.00 75.04 C ATOM 478 CD2 LEU B 148 -0.872 5.244 0.285 1.00 53.12 C ATOM 0 H LEU B 148 -1.613 7.987 -2.794 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.760 6.988 -0.519 1.00 10.21 H new ATOM 0 HB2 LEU B 148 -0.121 8.245 -1.172 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.492 7.892 0.503 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.454 5.842 -1.716 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.656 5.153 -0.636 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.754 6.828 -1.230 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.511 6.512 0.504 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -0.500 4.231 0.134 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -0.642 5.568 1.300 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -1.952 5.260 0.135 1.00 53.12 H new ATOM 490 N TRP B 149 -2.418 10.220 -0.464 1.00 72.11 N ATOM 491 CA TRP B 149 -2.767 11.432 0.272 1.00 73.33 C ATOM 492 C TRP B 149 -4.167 11.354 0.863 1.00 33.51 C ATOM 493 O TRP B 149 -4.373 11.644 2.043 1.00 12.44 O ATOM 494 CB TRP B 149 -2.695 12.622 -0.640 1.00 5.20 C ATOM 495 CG TRP B 149 -1.323 13.094 -0.987 1.00 21.45 C ATOM 496 CD1 TRP B 149 -0.456 12.522 -1.859 1.00 14.14 C ATOM 497 CD2 TRP B 149 -0.677 14.270 -0.493 1.00 64.10 C ATOM 498 NE1 TRP B 149 0.692 13.257 -1.935 1.00 44.31 N ATOM 499 CE2 TRP B 149 0.586 14.335 -1.106 1.00 41.22 C ATOM 500 CE3 TRP B 149 -1.042 15.270 0.411 1.00 50.34 C ATOM 501 CZ2 TRP B 149 1.487 15.361 -0.848 1.00 11.41 C ATOM 502 CZ3 TRP B 149 -0.148 16.290 0.665 1.00 0.00 C ATOM 503 CH2 TRP B 149 1.103 16.328 0.038 1.00 21.30 C ATOM 0 H TRP B 149 -2.036 10.392 -1.394 1.00 72.11 H new ATOM 0 HA TRP B 149 -2.052 11.532 1.089 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -3.220 12.380 -1.564 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -3.235 13.446 -0.174 1.00 5.20 H new ATOM 0 HD1 TRP B 149 -0.646 11.615 -2.414 1.00 14.14 H new ATOM 0 HE1 TRP B 149 1.499 13.036 -2.518 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -2.004 15.246 0.901 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 2.453 15.393 -1.329 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -0.418 17.072 1.359 1.00 0.00 H new ATOM 0 HH2 TRP B 149 1.780 17.140 0.259 1.00 21.30 H new ATOM 514 N ALA B 150 -5.096 10.928 0.057 1.00 4.41 N ATOM 515 CA ALA B 150 -6.455 10.820 0.480 1.00 55.10 C ATOM 516 C ALA B 150 -6.702 9.473 1.171 1.00 74.03 C ATOM 517 O ALA B 150 -7.235 9.414 2.281 1.00 33.30 O ATOM 518 CB ALA B 150 -7.372 10.990 -0.716 1.00 15.21 C ATOM 0 H ALA B 150 -4.930 10.647 -0.909 1.00 4.41 H new ATOM 0 HA ALA B 150 -6.668 11.607 1.203 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -8.410 10.908 -0.393 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -7.208 11.970 -1.164 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -7.158 10.215 -1.452 1.00 15.21 H new ATOM 524 N LEU B 151 -6.233 8.414 0.525 1.00 70.43 N ATOM 525 CA LEU B 151 -6.476 7.024 0.932 1.00 60.43 C ATOM 526 C LEU B 151 -5.835 6.685 2.297 1.00 0.01 C ATOM 527 O LEU B 151 -6.389 5.905 3.069 1.00 1.42 O ATOM 528 CB LEU B 151 -5.948 6.100 -0.198 1.00 30.21 C ATOM 529 CG LEU B 151 -6.291 4.588 -0.182 1.00 35.52 C ATOM 530 CD1 LEU B 151 -5.565 3.811 0.920 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.797 4.371 -0.111 1.00 54.11 C ATOM 0 H LEU B 151 -5.660 8.492 -0.315 1.00 70.43 H new ATOM 0 HA LEU B 151 -7.546 6.871 1.074 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -6.308 6.505 -1.144 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -4.861 6.187 -0.207 1.00 30.21 H new ATOM 0 HG LEU B 151 -5.925 4.182 -1.125 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -5.851 2.760 0.873 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -4.488 3.900 0.779 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -5.839 4.219 1.893 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -8.011 3.302 -0.101 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -8.188 4.828 0.798 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -8.272 4.828 -0.979 1.00 54.11 H new ATOM 543 N SER B 152 -4.701 7.289 2.589 1.00 60.31 N ATOM 544 CA SER B 152 -3.919 7.027 3.799 1.00 74.51 C ATOM 545 C SER B 152 -4.745 7.175 5.102 1.00 11.20 C ATOM 546 O SER B 152 -4.370 6.619 6.142 1.00 33.33 O ATOM 547 CB SER B 152 -2.607 7.842 3.790 1.00 21.44 C ATOM 548 OG SER B 152 -1.770 7.554 4.903 1.00 22.11 O ATOM 0 H SER B 152 -4.281 7.993 1.983 1.00 60.31 H new ATOM 0 HA SER B 152 -3.634 5.975 3.788 1.00 74.51 H new ATOM 0 HB2 SER B 152 -2.062 7.635 2.869 1.00 21.44 H new ATOM 0 HB3 SER B 152 -2.846 8.906 3.787 1.00 21.44 H new ATOM 0 HG SER B 152 -1.086 6.904 4.638 1.00 22.11 H new ATOM 554 N ASN B 153 -5.883 7.908 5.027 1.00 64.24 N ATOM 555 CA ASN B 153 -6.855 8.068 6.148 1.00 44.31 C ATOM 556 C ASN B 153 -7.188 6.712 6.780 1.00 64.55 C ATOM 557 O ASN B 153 -7.474 6.617 7.968 1.00 64.23 O ATOM 558 CB ASN B 153 -8.151 8.691 5.625 1.00 63.41 C ATOM 559 CG ASN B 153 -9.184 8.949 6.724 1.00 23.31 C ATOM 560 OD1 ASN B 153 -9.165 10.005 7.378 1.00 40.43 O ATOM 561 ND2 ASN B 153 -10.111 8.025 6.921 1.00 50.30 N ATOM 0 H ASN B 153 -6.158 8.410 4.183 1.00 64.24 H new ATOM 0 HA ASN B 153 -6.399 8.713 6.899 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -7.918 9.632 5.126 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -8.586 8.031 4.874 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -10.835 8.171 7.625 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -10.102 7.167 6.369 1.00 50.30 H new ATOM 568 N ILE B 154 -7.132 5.681 5.957 1.00 75.13 N ATOM 569 CA ILE B 154 -7.312 4.280 6.361 1.00 55.41 C ATOM 570 C ILE B 154 -6.472 3.921 7.619 1.00 43.23 C ATOM 571 O ILE B 154 -6.947 3.210 8.514 1.00 31.12 O ATOM 572 CB ILE B 154 -6.939 3.338 5.166 1.00 3.11 C ATOM 573 CG1 ILE B 154 -7.987 3.440 4.039 1.00 50.30 C ATOM 574 CG2 ILE B 154 -6.712 1.887 5.580 1.00 43.33 C ATOM 575 CD1 ILE B 154 -9.394 3.036 4.443 1.00 21.43 C ATOM 0 H ILE B 154 -6.955 5.788 4.958 1.00 75.13 H new ATOM 0 HA ILE B 154 -8.360 4.139 6.627 1.00 55.41 H new ATOM 0 HB ILE B 154 -5.980 3.692 4.788 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -8.009 4.467 3.674 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -7.668 2.812 3.207 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -6.458 1.294 4.702 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -5.895 1.838 6.300 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -7.621 1.492 6.034 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -10.062 3.140 3.588 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -9.393 1.999 4.779 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -9.739 3.679 5.253 1.00 21.43 H new ATOM 587 N ALA B 155 -5.263 4.459 7.706 1.00 10.31 N ATOM 588 CA ALA B 155 -4.380 4.168 8.829 1.00 14.12 C ATOM 589 C ALA B 155 -4.824 4.912 10.089 1.00 64.41 C ATOM 590 O ALA B 155 -4.594 4.441 11.198 1.00 71.04 O ATOM 591 CB ALA B 155 -2.946 4.500 8.486 1.00 41.11 C ATOM 0 H ALA B 155 -4.871 5.098 7.014 1.00 10.31 H new ATOM 0 HA ALA B 155 -4.442 3.099 9.033 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -2.306 4.275 9.339 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -2.630 3.906 7.628 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -2.866 5.559 8.243 1.00 41.11 H new ATOM 597 N SER B 156 -5.473 6.066 9.910 1.00 4.52 N ATOM 598 CA SER B 156 -6.009 6.827 11.034 1.00 54.22 C ATOM 599 C SER B 156 -7.280 6.159 11.554 1.00 33.11 C ATOM 600 O SER B 156 -7.706 6.389 12.691 1.00 31.14 O ATOM 601 CB SER B 156 -6.307 8.272 10.625 1.00 51.15 C ATOM 602 OG SER B 156 -5.135 8.943 10.200 1.00 71.21 O ATOM 0 H SER B 156 -5.638 6.490 8.997 1.00 4.52 H new ATOM 0 HA SER B 156 -5.260 6.844 11.825 1.00 54.22 H new ATOM 0 HB2 SER B 156 -7.043 8.279 9.821 1.00 51.15 H new ATOM 0 HB3 SER B 156 -6.748 8.806 11.467 1.00 51.15 H new ATOM 0 HG SER B 156 -5.359 9.862 9.944 1.00 71.21 H new ATOM 608 N GLY B 157 -7.907 5.366 10.701 1.00 64.35 N ATOM 609 CA GLY B 157 -9.053 4.603 11.117 1.00 65.32 C ATOM 610 C GLY B 157 -8.615 3.475 12.015 1.00 30.23 C ATOM 611 O GLY B 157 -9.095 3.334 13.148 1.00 41.22 O ATOM 0 H GLY B 157 -7.638 5.240 9.725 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -9.758 5.246 11.643 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -9.573 4.206 10.245 1.00 65.32 H new ATOM 615 N GLY B 158 -7.661 2.710 11.526 1.00 4.51 N ATOM 616 CA GLY B 158 -7.132 1.597 12.270 1.00 1.13 C ATOM 617 C GLY B 158 -8.148 0.481 12.408 1.00 32.24 C ATOM 618 O GLY B 158 -9.049 0.374 11.590 1.00 23.13 O ATOM 0 H GLY B 158 -7.236 2.844 10.608 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -6.240 1.217 11.772 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -6.825 1.934 13.260 1.00 1.13 H new ATOM 622 N ASN B 159 -7.971 -0.341 13.435 1.00 23.14 N ATOM 623 CA ASN B 159 -8.835 -1.500 13.783 1.00 4.32 C ATOM 624 C ASN B 159 -9.331 -2.306 12.556 1.00 43.12 C ATOM 625 O ASN B 159 -8.587 -3.115 12.001 1.00 73.44 O ATOM 626 CB ASN B 159 -10.004 -1.113 14.728 1.00 41.53 C ATOM 627 CG ASN B 159 -10.780 -2.329 15.242 1.00 73.54 C ATOM 628 OD1 ASN B 159 -10.220 -3.411 15.401 1.00 53.51 O ATOM 629 ND2 ASN B 159 -12.050 -2.159 15.507 1.00 13.35 N ATOM 0 H ASN B 159 -7.193 -0.227 14.085 1.00 23.14 H new ATOM 0 HA ASN B 159 -8.182 -2.175 14.336 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -9.609 -0.555 15.577 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -10.688 -0.449 14.199 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -12.607 -2.939 15.857 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -12.483 -1.247 15.363 1.00 13.35 H new ATOM 636 N GLU B 160 -10.537 -1.990 12.080 1.00 61.13 N ATOM 637 CA GLU B 160 -11.179 -2.702 10.977 1.00 44.33 C ATOM 638 C GLU B 160 -10.447 -2.453 9.675 1.00 21.45 C ATOM 639 O GLU B 160 -10.236 -3.361 8.877 1.00 55.12 O ATOM 640 CB GLU B 160 -12.616 -2.225 10.822 1.00 21.44 C ATOM 641 CG GLU B 160 -13.499 -2.462 12.027 1.00 75.15 C ATOM 642 CD GLU B 160 -13.741 -3.916 12.288 1.00 34.45 C ATOM 643 OE1 GLU B 160 -14.445 -4.559 11.482 1.00 51.14 O1- ATOM 644 OE2 GLU B 160 -13.267 -4.433 13.304 1.00 5.33 O ATOM 0 H GLU B 160 -11.099 -1.225 12.454 1.00 61.13 H new ATOM 0 HA GLU B 160 -11.155 -3.768 11.205 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -12.607 -1.158 10.600 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -13.059 -2.726 9.961 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -13.037 -2.011 12.905 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -14.455 -1.960 11.877 1.00 75.15 H new ATOM 651 N GLN B 161 -10.049 -1.227 9.481 1.00 55.22 N ATOM 652 CA GLN B 161 -9.382 -0.805 8.280 1.00 4.24 C ATOM 653 C GLN B 161 -7.917 -1.232 8.301 1.00 2.21 C ATOM 654 O GLN B 161 -7.261 -1.323 7.265 1.00 4.14 O ATOM 655 CB GLN B 161 -9.492 0.723 8.087 1.00 73.31 C ATOM 656 CG GLN B 161 -10.911 1.282 7.865 1.00 74.15 C ATOM 657 CD GLN B 161 -11.738 1.544 9.135 1.00 63.34 C ATOM 658 OE1 GLN B 161 -11.601 0.887 10.169 1.00 30.32 O ATOM 659 NE2 GLN B 161 -12.618 2.504 9.051 1.00 71.32 N ATOM 0 H GLN B 161 -10.181 -0.480 10.163 1.00 55.22 H new ATOM 0 HA GLN B 161 -9.876 -1.289 7.437 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -9.065 1.210 8.964 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -8.875 1.006 7.234 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -10.829 2.216 7.309 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -11.461 0.583 7.235 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -12.713 3.034 8.185 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -13.210 2.724 9.852 1.00 71.32 H new ATOM 668 N LYS B 162 -7.428 -1.506 9.484 1.00 0.01 N ATOM 669 CA LYS B 162 -6.049 -1.897 9.684 1.00 53.04 C ATOM 670 C LYS B 162 -5.874 -3.397 9.410 1.00 54.42 C ATOM 671 O LYS B 162 -4.860 -3.823 8.899 1.00 41.24 O ATOM 672 CB LYS B 162 -5.650 -1.572 11.121 1.00 52.24 C ATOM 673 CG LYS B 162 -4.197 -1.773 11.460 1.00 72.31 C ATOM 674 CD LYS B 162 -3.962 -1.494 12.927 1.00 53.42 C ATOM 675 CE LYS B 162 -4.581 -2.564 13.821 1.00 52.21 C ATOM 676 NZ LYS B 162 -4.216 -2.376 15.234 1.00 22.01 N1+ ATOM 0 H LYS B 162 -7.976 -1.465 10.343 1.00 0.01 H new ATOM 0 HA LYS B 162 -5.409 -1.349 8.992 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -5.910 -0.533 11.324 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -6.249 -2.188 11.792 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -3.898 -2.794 11.224 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -3.579 -1.112 10.853 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -2.890 -1.438 13.118 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -4.382 -0.521 13.182 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -5.666 -2.539 13.720 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -4.253 -3.549 13.489 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -4.656 -3.123 15.809 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -3.182 -2.425 15.335 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -4.551 -1.447 15.559 1.00 22.01 H new ATOM 690 N GLN B 163 -6.890 -4.177 9.753 1.00 45.04 N ATOM 691 CA GLN B 163 -6.861 -5.643 9.581 1.00 54.43 C ATOM 692 C GLN B 163 -7.290 -6.040 8.166 1.00 43.34 C ATOM 693 O GLN B 163 -6.826 -7.053 7.621 1.00 51.54 O ATOM 694 CB GLN B 163 -7.795 -6.286 10.607 1.00 0.44 C ATOM 695 CG GLN B 163 -9.245 -5.892 10.412 1.00 12.45 C ATOM 696 CD GLN B 163 -10.117 -6.187 11.612 1.00 32.52 C ATOM 697 OE1 GLN B 163 -9.645 -6.203 12.746 1.00 71.21 O ATOM 698 NE2 GLN B 163 -11.389 -6.376 11.386 1.00 35.45 N ATOM 0 H GLN B 163 -7.758 -3.825 10.157 1.00 45.04 H new ATOM 0 HA GLN B 163 -5.841 -5.994 9.734 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -7.706 -7.370 10.542 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -7.478 -6.000 11.610 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -9.297 -4.826 10.188 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -9.643 -6.419 9.545 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -11.746 -6.356 10.431 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -12.026 -6.544 12.165 1.00 35.45 H new ATOM 707 N ALA B 164 -8.131 -5.184 7.577 1.00 52.32 N ATOM 708 CA ALA B 164 -8.758 -5.339 6.248 1.00 30.11 C ATOM 709 C ALA B 164 -7.777 -5.779 5.212 1.00 13.35 C ATOM 710 O ALA B 164 -8.069 -6.602 4.351 1.00 74.41 O ATOM 711 CB ALA B 164 -9.221 -3.992 5.833 1.00 12.31 C ATOM 0 H ALA B 164 -8.412 -4.316 8.034 1.00 52.32 H new ATOM 0 HA ALA B 164 -9.553 -6.081 6.325 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -9.693 -4.056 4.853 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -9.941 -3.615 6.559 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.369 -3.314 5.782 1.00 12.31 H new ATOM 717 N VAL B 165 -6.634 -5.208 5.329 1.00 3.02 N ATOM 718 CA VAL B 165 -5.518 -5.370 4.456 1.00 13.21 C ATOM 719 C VAL B 165 -5.209 -6.861 4.162 1.00 2.43 C ATOM 720 O VAL B 165 -5.007 -7.239 3.018 1.00 61.00 O ATOM 721 CB VAL B 165 -4.281 -4.687 5.103 1.00 33.10 C ATOM 722 CG1 VAL B 165 -4.584 -3.294 5.448 1.00 41.13 C ATOM 723 CG2 VAL B 165 -3.980 -5.310 6.377 1.00 41.10 C ATOM 0 H VAL B 165 -6.434 -4.565 6.095 1.00 3.02 H new ATOM 0 HA VAL B 165 -5.760 -4.905 3.500 1.00 13.21 H new ATOM 0 HB VAL B 165 -3.464 -4.770 4.386 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -3.706 -2.832 5.900 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -4.858 -2.747 4.546 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -5.413 -3.266 6.155 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.112 -4.825 6.823 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -4.836 -5.207 7.044 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.766 -6.368 6.223 1.00 41.10 H new ATOM 733 N LYS B 166 -5.250 -7.706 5.176 1.00 72.33 N ATOM 734 CA LYS B 166 -4.855 -9.075 5.002 1.00 62.53 C ATOM 735 C LYS B 166 -5.960 -9.862 4.329 1.00 61.12 C ATOM 736 O LYS B 166 -5.709 -10.736 3.505 1.00 13.14 O ATOM 737 CB LYS B 166 -4.407 -9.707 6.327 1.00 64.02 C ATOM 738 CG LYS B 166 -3.193 -9.005 6.952 1.00 21.20 C ATOM 739 CD LYS B 166 -3.556 -8.056 8.115 1.00 51.32 C ATOM 740 CE LYS B 166 -3.992 -8.861 9.330 1.00 50.03 C ATOM 741 NZ LYS B 166 -4.108 -8.050 10.568 1.00 65.44 N1+ ATOM 0 H LYS B 166 -5.552 -7.462 6.119 1.00 72.33 H new ATOM 0 HA LYS B 166 -3.986 -9.102 4.344 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -5.237 -9.681 7.033 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -4.165 -10.756 6.158 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -2.495 -9.760 7.315 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -2.675 -8.437 6.179 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -2.697 -7.435 8.370 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -4.357 -7.383 7.809 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -4.954 -9.328 9.120 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -3.277 -9.666 9.498 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -3.772 -8.606 11.380 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -3.531 -7.190 10.475 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -5.102 -7.785 10.717 1.00 65.44 H new ATOM 755 N GLU B 167 -7.179 -9.482 4.635 1.00 75.44 N ATOM 756 CA GLU B 167 -8.347 -10.061 4.066 1.00 33.13 C ATOM 757 C GLU B 167 -8.441 -9.685 2.571 1.00 4.33 C ATOM 758 O GLU B 167 -8.830 -10.494 1.729 1.00 61.22 O ATOM 759 CB GLU B 167 -9.519 -9.517 4.839 1.00 35.41 C ATOM 760 CG GLU B 167 -10.550 -10.553 5.145 1.00 14.32 C ATOM 761 CD GLU B 167 -11.302 -11.063 3.948 1.00 71.10 C ATOM 762 OE1 GLU B 167 -12.265 -10.394 3.511 1.00 51.30 O1- ATOM 763 OE2 GLU B 167 -10.969 -12.144 3.436 1.00 34.35 O ATOM 0 H GLU B 167 -7.378 -8.740 5.306 1.00 75.44 H new ATOM 0 HA GLU B 167 -8.328 -11.149 4.125 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.161 -9.082 5.772 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -9.980 -8.711 4.268 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -10.064 -11.395 5.638 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -11.264 -10.137 5.855 1.00 14.32 H new ATOM 770 N ALA B 168 -8.047 -8.459 2.263 1.00 51.34 N ATOM 771 CA ALA B 168 -8.056 -7.949 0.899 1.00 12.43 C ATOM 772 C ALA B 168 -6.909 -8.540 0.071 1.00 34.44 C ATOM 773 O ALA B 168 -7.042 -8.748 -1.138 1.00 25.22 O ATOM 774 CB ALA B 168 -7.960 -6.436 0.915 1.00 40.11 C ATOM 0 H ALA B 168 -7.711 -7.787 2.953 1.00 51.34 H new ATOM 0 HA ALA B 168 -8.994 -8.250 0.432 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.967 -6.060 -0.108 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.809 -6.023 1.459 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -7.034 -6.135 1.406 1.00 40.11 H new ATOM 780 N GLY B 169 -5.794 -8.799 0.713 1.00 34.33 N ATOM 781 CA GLY B 169 -4.668 -9.378 0.014 1.00 34.02 C ATOM 782 C GLY B 169 -3.479 -8.441 -0.053 1.00 4.54 C ATOM 783 O GLY B 169 -2.847 -8.277 -1.106 1.00 31.44 O ATOM 0 H GLY B 169 -5.641 -8.621 1.706 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -4.371 -10.301 0.513 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -4.972 -9.646 -0.998 1.00 34.02 H new ATOM 787 N ALA B 170 -3.173 -7.821 1.073 1.00 35.41 N ATOM 788 CA ALA B 170 -2.053 -6.899 1.183 1.00 34.41 C ATOM 789 C ALA B 170 -0.731 -7.593 1.033 1.00 73.04 C ATOM 790 O ALA B 170 0.244 -6.969 0.681 1.00 1.24 O ATOM 791 CB ALA B 170 -2.111 -6.115 2.475 1.00 13.24 C ATOM 0 H ALA B 170 -3.695 -7.942 1.941 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.142 -6.195 0.356 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.260 -5.435 2.527 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.037 -5.541 2.511 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -2.077 -6.803 3.320 1.00 13.24 H new ATOM 797 N LEU B 171 -0.710 -8.879 1.289 1.00 61.22 N ATOM 798 CA LEU B 171 0.503 -9.664 1.180 1.00 71.22 C ATOM 799 C LEU B 171 0.991 -9.677 -0.269 1.00 54.15 C ATOM 800 O LEU B 171 2.148 -9.354 -0.545 1.00 23.24 O ATOM 801 CB LEU B 171 0.246 -11.069 1.698 1.00 35.44 C ATOM 802 CG LEU B 171 -0.263 -11.139 3.141 1.00 71.12 C ATOM 803 CD1 LEU B 171 -0.518 -12.564 3.548 1.00 70.51 C ATOM 804 CD2 LEU B 171 0.722 -10.483 4.094 1.00 11.20 C ATOM 0 H LEU B 171 -1.530 -9.413 1.578 1.00 61.22 H new ATOM 0 HA LEU B 171 1.289 -9.216 1.788 1.00 71.22 H new ATOM 0 HB2 LEU B 171 -0.482 -11.554 1.047 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.170 -11.642 1.625 1.00 35.44 H new ATOM 0 HG LEU B 171 -1.205 -10.593 3.192 1.00 71.12 H new ATOM 0 HD11 LEU B 171 -0.879 -12.590 4.576 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -1.268 -13.002 2.889 1.00 70.51 H new ATOM 0 HD13 LEU B 171 0.408 -13.135 3.474 1.00 70.51 H new ATOM 0 HD21 LEU B 171 0.339 -10.545 5.113 1.00 11.20 H new ATOM 0 HD22 LEU B 171 1.682 -10.996 4.035 1.00 11.20 H new ATOM 0 HD23 LEU B 171 0.853 -9.436 3.819 1.00 11.20 H new ATOM 816 N GLU B 172 0.080 -9.986 -1.189 1.00 61.41 N ATOM 817 CA GLU B 172 0.385 -9.967 -2.603 1.00 12.34 C ATOM 818 C GLU B 172 0.648 -8.535 -3.041 1.00 12.03 C ATOM 819 O GLU B 172 1.600 -8.259 -3.777 1.00 11.21 O ATOM 820 CB GLU B 172 -0.788 -10.527 -3.407 1.00 22.42 C ATOM 821 CG GLU B 172 -0.540 -10.578 -4.903 1.00 4.33 C ATOM 822 CD GLU B 172 -1.763 -10.965 -5.676 1.00 14.33 C ATOM 823 OE1 GLU B 172 -2.120 -12.145 -5.683 1.00 61.51 O ATOM 824 OE2 GLU B 172 -2.392 -10.080 -6.297 1.00 71.05 O1- ATOM 0 H GLU B 172 -0.880 -10.253 -0.970 1.00 61.41 H new ATOM 0 HA GLU B 172 1.267 -10.583 -2.782 1.00 12.34 H new ATOM 0 HB2 GLU B 172 -1.012 -11.533 -3.051 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -1.671 -9.917 -3.216 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -0.193 -9.603 -5.244 1.00 4.33 H new ATOM 0 HG3 GLU B 172 0.258 -11.291 -5.111 1.00 4.33 H new ATOM 831 N LYS B 173 -0.205 -7.624 -2.570 1.00 75.52 N ATOM 832 CA LYS B 173 -0.115 -6.229 -2.921 1.00 52.14 C ATOM 833 C LYS B 173 1.227 -5.619 -2.576 1.00 13.42 C ATOM 834 O LYS B 173 1.835 -4.944 -3.416 1.00 22.05 O ATOM 835 CB LYS B 173 -1.257 -5.425 -2.302 1.00 52.11 C ATOM 836 CG LYS B 173 -2.401 -5.006 -3.254 1.00 23.24 C ATOM 837 CD LYS B 173 -3.371 -6.126 -3.640 1.00 32.34 C ATOM 838 CE LYS B 173 -2.738 -7.178 -4.493 1.00 65.44 C ATOM 839 NZ LYS B 173 -3.669 -8.267 -4.822 1.00 43.00 N1+ ATOM 0 H LYS B 173 -0.973 -7.845 -1.936 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.210 -6.181 -4.006 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -1.687 -6.012 -1.490 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -0.837 -4.524 -1.856 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.968 -4.202 -2.784 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -1.963 -4.597 -4.164 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.763 -6.588 -2.734 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -4.220 -5.697 -4.172 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -2.374 -6.724 -5.415 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -1.871 -7.589 -3.975 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -3.258 -8.861 -5.570 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -3.839 -8.846 -3.975 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -4.569 -7.866 -5.154 1.00 43.00 H new ATOM 853 N LEU B 174 1.684 -5.881 -1.374 1.00 32.33 N ATOM 854 CA LEU B 174 2.941 -5.370 -0.890 1.00 44.15 C ATOM 855 C LEU B 174 4.094 -5.927 -1.705 1.00 4.04 C ATOM 856 O LEU B 174 4.942 -5.176 -2.162 1.00 43.44 O ATOM 857 CB LEU B 174 3.124 -5.736 0.588 1.00 22.15 C ATOM 858 CG LEU B 174 4.400 -5.238 1.264 1.00 32.13 C ATOM 859 CD1 LEU B 174 4.431 -3.720 1.304 1.00 13.11 C ATOM 860 CD2 LEU B 174 4.523 -5.823 2.660 1.00 43.15 C ATOM 0 H LEU B 174 1.187 -6.461 -0.699 1.00 32.33 H new ATOM 0 HA LEU B 174 2.934 -4.285 -0.993 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.270 -5.347 1.143 1.00 22.15 H new ATOM 0 HB3 LEU B 174 3.094 -6.822 0.676 1.00 22.15 H new ATOM 0 HG LEU B 174 5.255 -5.574 0.678 1.00 32.13 H new ATOM 0 HD11 LEU B 174 5.348 -3.387 1.790 1.00 13.11 H new ATOM 0 HD12 LEU B 174 4.396 -3.328 0.287 1.00 13.11 H new ATOM 0 HD13 LEU B 174 3.571 -3.353 1.864 1.00 13.11 H new ATOM 0 HD21 LEU B 174 5.437 -5.458 3.128 1.00 43.15 H new ATOM 0 HD22 LEU B 174 3.664 -5.520 3.258 1.00 43.15 H new ATOM 0 HD23 LEU B 174 4.556 -6.911 2.597 1.00 43.15 H new ATOM 872 N GLU B 175 4.086 -7.244 -1.909 1.00 64.22 N ATOM 873 CA GLU B 175 5.130 -7.951 -2.595 1.00 34.22 C ATOM 874 C GLU B 175 5.426 -7.360 -3.977 1.00 30.54 C ATOM 875 O GLU B 175 6.599 -7.213 -4.351 1.00 40.22 O ATOM 876 CB GLU B 175 4.731 -9.384 -2.748 1.00 31.20 C ATOM 877 CG GLU B 175 5.899 -10.266 -2.987 1.00 63.55 C ATOM 878 CD GLU B 175 5.509 -11.669 -3.274 1.00 72.13 C ATOM 879 OE1 GLU B 175 5.217 -11.971 -4.442 1.00 5.21 O ATOM 880 OE2 GLU B 175 5.484 -12.502 -2.346 1.00 12.05 O1- ATOM 0 H GLU B 175 3.330 -7.849 -1.589 1.00 64.22 H new ATOM 0 HA GLU B 175 6.038 -7.860 -1.998 1.00 34.22 H new ATOM 0 HB2 GLU B 175 4.207 -9.712 -1.850 1.00 31.20 H new ATOM 0 HB3 GLU B 175 4.030 -9.478 -3.578 1.00 31.20 H new ATOM 0 HG2 GLU B 175 6.478 -9.876 -3.824 1.00 63.55 H new ATOM 0 HG3 GLU B 175 6.549 -10.246 -2.112 1.00 63.55 H new ATOM 887 N GLN B 176 4.366 -7.028 -4.719 1.00 53.05 N ATOM 888 CA GLN B 176 4.495 -6.435 -6.041 1.00 51.12 C ATOM 889 C GLN B 176 5.304 -5.155 -5.964 1.00 15.23 C ATOM 890 O GLN B 176 6.348 -5.006 -6.612 1.00 25.45 O ATOM 891 CB GLN B 176 3.129 -6.092 -6.604 1.00 22.05 C ATOM 892 CG GLN B 176 2.175 -7.249 -6.758 1.00 3.54 C ATOM 893 CD GLN B 176 2.695 -8.350 -7.672 1.00 35.11 C ATOM 894 OE1 GLN B 176 3.455 -8.107 -8.615 1.00 25.33 O ATOM 895 NE2 GLN B 176 2.311 -9.556 -7.402 1.00 12.14 N ATOM 0 H GLN B 176 3.401 -7.164 -4.417 1.00 53.05 H new ATOM 0 HA GLN B 176 4.993 -7.160 -6.685 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.666 -5.347 -5.956 1.00 22.05 H new ATOM 0 HB3 GLN B 176 3.265 -5.625 -7.580 1.00 22.05 H new ATOM 0 HG2 GLN B 176 1.968 -7.672 -5.775 1.00 3.54 H new ATOM 0 HG3 GLN B 176 1.228 -6.879 -7.151 1.00 3.54 H new ATOM 0 HE21 GLN B 176 1.683 -9.727 -6.617 1.00 12.14 H new ATOM 0 HE22 GLN B 176 2.637 -10.335 -7.974 1.00 12.14 H new ATOM 904 N LEU B 177 4.836 -4.256 -5.125 1.00 55.23 N ATOM 905 CA LEU B 177 5.439 -2.963 -4.943 1.00 50.03 C ATOM 906 C LEU B 177 6.808 -3.059 -4.273 1.00 2.24 C ATOM 907 O LEU B 177 7.627 -2.167 -4.380 1.00 11.31 O ATOM 908 CB LEU B 177 4.515 -2.115 -4.131 1.00 4.33 C ATOM 909 CG LEU B 177 4.931 -0.686 -3.926 1.00 13.40 C ATOM 910 CD1 LEU B 177 4.783 0.092 -5.231 1.00 11.02 C ATOM 911 CD2 LEU B 177 4.154 -0.062 -2.794 1.00 54.44 C ATOM 0 H LEU B 177 4.013 -4.410 -4.543 1.00 55.23 H new ATOM 0 HA LEU B 177 5.601 -2.512 -5.922 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.536 -2.121 -4.609 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.395 -2.580 -3.153 1.00 4.33 H new ATOM 0 HG LEU B 177 5.983 -0.653 -3.641 1.00 13.40 H new ATOM 0 HD11 LEU B 177 5.087 1.127 -5.074 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.414 -0.359 -5.997 1.00 11.02 H new ATOM 0 HD13 LEU B 177 3.743 0.064 -5.555 1.00 11.02 H new ATOM 0 HD21 LEU B 177 4.471 0.973 -2.662 1.00 54.44 H new ATOM 0 HD22 LEU B 177 3.089 -0.089 -3.025 1.00 54.44 H new ATOM 0 HD23 LEU B 177 4.340 -0.618 -1.875 1.00 54.44 H new ATOM 923 N GLN B 178 7.036 -4.125 -3.577 1.00 31.43 N ATOM 924 CA GLN B 178 8.344 -4.401 -2.976 1.00 34.22 C ATOM 925 C GLN B 178 9.459 -4.562 -4.016 1.00 43.53 C ATOM 926 O GLN B 178 10.636 -4.490 -3.686 1.00 33.40 O ATOM 927 CB GLN B 178 8.295 -5.589 -2.020 1.00 22.20 C ATOM 928 CG GLN B 178 7.752 -5.226 -0.647 1.00 63.12 C ATOM 929 CD GLN B 178 8.697 -4.312 0.131 1.00 52.34 C ATOM 930 OE1 GLN B 178 9.990 -4.511 -0.023 1.00 3.53 O flip ATOM 931 NE2 GLN B 178 8.267 -3.467 0.921 1.00 12.22 N flip ATOM 0 H GLN B 178 6.334 -4.843 -3.396 1.00 31.43 H new ATOM 0 HA GLN B 178 8.595 -3.517 -2.389 1.00 34.22 H new ATOM 0 HB2 GLN B 178 7.674 -6.372 -2.455 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.298 -6.001 -1.910 1.00 22.20 H new ATOM 0 HG2 GLN B 178 6.786 -4.734 -0.760 1.00 63.12 H new ATOM 0 HG3 GLN B 178 7.580 -6.138 -0.075 1.00 63.12 H new ATOM 0 HE21 GLN B 178 7.261 -3.330 1.024 1.00 12.22 H new ATOM 0 HE22 GLN B 178 8.917 -2.906 1.471 1.00 12.22 H new ATOM 940 N SER B 179 9.090 -4.730 -5.267 1.00 11.02 N ATOM 941 CA SER B 179 10.056 -4.826 -6.342 1.00 25.41 C ATOM 942 C SER B 179 10.270 -3.416 -6.956 1.00 10.24 C ATOM 943 O SER B 179 10.867 -3.274 -8.017 1.00 40.01 O ATOM 944 CB SER B 179 9.547 -5.831 -7.397 1.00 32.12 C ATOM 945 OG SER B 179 10.542 -6.150 -8.375 1.00 64.32 O ATOM 0 H SER B 179 8.118 -4.804 -5.568 1.00 11.02 H new ATOM 0 HA SER B 179 11.014 -5.186 -5.966 1.00 25.41 H new ATOM 0 HB2 SER B 179 9.226 -6.745 -6.898 1.00 32.12 H new ATOM 0 HB3 SER B 179 8.671 -5.416 -7.896 1.00 32.12 H new ATOM 0 HG SER B 179 11.034 -5.338 -8.618 1.00 64.32 H new ATOM 951 N HIS B 180 9.781 -2.399 -6.232 1.00 24.01 N ATOM 952 CA HIS B 180 9.834 -0.956 -6.599 1.00 14.12 C ATOM 953 C HIS B 180 11.177 -0.485 -7.124 1.00 13.51 C ATOM 954 O HIS B 180 12.242 -0.947 -6.689 1.00 60.24 O ATOM 955 CB HIS B 180 9.457 -0.063 -5.390 1.00 1.42 C ATOM 956 CG HIS B 180 10.383 -0.153 -4.193 1.00 74.51 C ATOM 957 ND1 HIS B 180 11.217 0.869 -3.810 1.00 63.40 N ATOM 958 CD2 HIS B 180 10.573 -1.137 -3.282 1.00 44.44 C ATOM 959 CE1 HIS B 180 11.870 0.519 -2.729 1.00 71.54 C ATOM 960 NE2 HIS B 180 11.500 -0.690 -2.388 1.00 34.33 N ATOM 0 H HIS B 180 9.317 -2.554 -5.337 1.00 24.01 H new ATOM 0 HA HIS B 180 9.112 -0.859 -7.409 1.00 14.12 H new ATOM 0 HB2 HIS B 180 9.424 0.974 -5.724 1.00 1.42 H new ATOM 0 HB3 HIS B 180 8.450 -0.326 -5.068 1.00 1.42 H new ATOM 0 HD1 HIS B 180 11.313 1.762 -4.293 1.00 63.40 H new ATOM 0 HD2 HIS B 180 10.081 -2.098 -3.267 1.00 44.44 H new ATOM 0 HE1 HIS B 180 12.593 1.127 -2.206 1.00 71.54 H new ATOM 969 N GLU B 181 11.109 0.472 -8.002 1.00 2.23 N ATOM 970 CA GLU B 181 12.264 1.100 -8.554 1.00 3.54 C ATOM 971 C GLU B 181 12.477 2.397 -7.808 1.00 21.45 C ATOM 972 O GLU B 181 13.558 2.653 -7.291 1.00 41.00 O ATOM 973 CB GLU B 181 12.037 1.372 -10.036 1.00 22.41 C ATOM 974 CG GLU B 181 11.747 0.120 -10.846 1.00 21.45 C ATOM 975 CD GLU B 181 12.944 -0.782 -11.014 1.00 4.11 C ATOM 976 OE1 GLU B 181 13.458 -1.325 -10.030 1.00 21.44 O ATOM 977 OE2 GLU B 181 13.377 -0.997 -12.169 1.00 34.25 O1- ATOM 0 H GLU B 181 10.228 0.843 -8.359 1.00 2.23 H new ATOM 0 HA GLU B 181 13.141 0.461 -8.455 1.00 3.54 H new ATOM 0 HB2 GLU B 181 11.204 2.067 -10.146 1.00 22.41 H new ATOM 0 HB3 GLU B 181 12.919 1.864 -10.446 1.00 22.41 H new ATOM 0 HG2 GLU B 181 10.947 -0.439 -10.361 1.00 21.45 H new ATOM 0 HG3 GLU B 181 11.381 0.411 -11.831 1.00 21.45 H new ATOM 984 N ASN B 182 11.399 3.163 -7.686 1.00 1.10 N ATOM 985 CA ASN B 182 11.410 4.476 -7.022 1.00 51.53 C ATOM 986 C ASN B 182 11.753 4.305 -5.594 1.00 31.02 C ATOM 987 O ASN B 182 11.229 3.416 -4.881 1.00 72.11 O ATOM 988 CB ASN B 182 10.055 5.193 -7.198 1.00 70.24 C ATOM 989 CG ASN B 182 10.021 6.673 -6.776 1.00 71.13 C ATOM 990 OD1 ASN B 182 10.721 7.109 -5.870 1.00 53.24 O ATOM 991 ND2 ASN B 182 9.187 7.441 -7.427 1.00 41.44 N ATOM 0 H ASN B 182 10.483 2.895 -8.045 1.00 1.10 H new ATOM 0 HA ASN B 182 12.168 5.106 -7.487 1.00 51.53 H new ATOM 0 HB2 ASN B 182 9.764 5.127 -8.246 1.00 70.24 H new ATOM 0 HB3 ASN B 182 9.302 4.653 -6.623 1.00 70.24 H new ATOM 0 HD21 ASN B 182 9.108 8.429 -7.185 1.00 41.44 H new ATOM 0 HD22 ASN B 182 8.616 7.053 -8.177 1.00 41.44 H new ATOM 998 N GLU B 183 12.626 5.145 -5.191 1.00 21.41 N ATOM 999 CA GLU B 183 13.206 5.115 -3.926 1.00 75.53 C ATOM 1000 C GLU B 183 12.241 5.642 -2.864 1.00 53.13 C ATOM 1001 O GLU B 183 12.265 5.207 -1.733 1.00 62.23 O ATOM 1002 CB GLU B 183 14.485 5.915 -3.992 1.00 4.41 C ATOM 1003 CG GLU B 183 14.353 7.389 -3.634 1.00 71.12 C ATOM 1004 CD GLU B 183 15.647 8.146 -3.751 1.00 70.35 C ATOM 1005 OE1 GLU B 183 16.479 8.094 -2.819 1.00 74.32 O ATOM 1006 OE2 GLU B 183 15.861 8.821 -4.773 1.00 10.34 O1- ATOM 0 H GLU B 183 12.967 5.910 -5.774 1.00 21.41 H new ATOM 0 HA GLU B 183 13.436 4.091 -3.631 1.00 75.53 H new ATOM 0 HB2 GLU B 183 15.213 5.460 -3.321 1.00 4.41 H new ATOM 0 HB3 GLU B 183 14.890 5.839 -5.001 1.00 4.41 H new ATOM 0 HG2 GLU B 183 13.610 7.849 -4.286 1.00 71.12 H new ATOM 0 HG3 GLU B 183 13.980 7.476 -2.614 1.00 71.12 H new ATOM 1013 N LYS B 184 11.357 6.542 -3.260 1.00 31.52 N ATOM 1014 CA LYS B 184 10.403 7.136 -2.337 1.00 55.01 C ATOM 1015 C LYS B 184 9.343 6.110 -1.961 1.00 72.22 C ATOM 1016 O LYS B 184 8.834 6.093 -0.843 1.00 13.24 O ATOM 1017 CB LYS B 184 9.735 8.361 -2.972 1.00 13.15 C ATOM 1018 CG LYS B 184 10.675 9.516 -3.311 1.00 23.11 C ATOM 1019 CD LYS B 184 9.895 10.662 -3.940 1.00 51.20 C ATOM 1020 CE LYS B 184 10.755 11.893 -4.222 1.00 41.21 C ATOM 1021 NZ LYS B 184 11.831 11.658 -5.215 1.00 13.42 N1+ ATOM 0 H LYS B 184 11.280 6.879 -4.220 1.00 31.52 H new ATOM 0 HA LYS B 184 10.935 7.453 -1.440 1.00 55.01 H new ATOM 0 HB2 LYS B 184 9.230 8.046 -3.885 1.00 13.15 H new ATOM 0 HB3 LYS B 184 8.966 8.728 -2.292 1.00 13.15 H new ATOM 0 HG2 LYS B 184 11.178 9.862 -2.408 1.00 23.11 H new ATOM 0 HG3 LYS B 184 11.450 9.174 -3.997 1.00 23.11 H new ATOM 0 HD2 LYS B 184 9.447 10.319 -4.872 1.00 51.20 H new ATOM 0 HD3 LYS B 184 9.077 10.943 -3.277 1.00 51.20 H new ATOM 0 HE2 LYS B 184 10.113 12.698 -4.579 1.00 41.21 H new ATOM 0 HE3 LYS B 184 11.203 12.233 -3.288 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 12.372 12.535 -5.355 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 12.466 10.911 -4.868 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 11.411 11.362 -6.119 1.00 13.42 H new ATOM 1035 N ILE B 185 9.102 5.211 -2.888 1.00 60.21 N ATOM 1036 CA ILE B 185 8.081 4.186 -2.787 1.00 75.21 C ATOM 1037 C ILE B 185 8.234 3.262 -1.550 1.00 0.43 C ATOM 1038 O ILE B 185 7.261 2.684 -1.086 1.00 60.43 O ATOM 1039 CB ILE B 185 8.020 3.367 -4.105 1.00 72.20 C ATOM 1040 CG1 ILE B 185 7.414 4.213 -5.218 1.00 53.13 C ATOM 1041 CG2 ILE B 185 7.267 2.062 -3.948 1.00 64.03 C ATOM 1042 CD1 ILE B 185 5.977 4.622 -4.995 1.00 52.31 C ATOM 0 H ILE B 185 9.626 5.169 -3.762 1.00 60.21 H new ATOM 0 HA ILE B 185 7.133 4.703 -2.637 1.00 75.21 H new ATOM 0 HB ILE B 185 9.044 3.102 -4.370 1.00 72.20 H new ATOM 0 HG12 ILE B 185 8.018 5.112 -5.341 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.477 3.657 -6.153 1.00 53.13 H new ATOM 0 HG21 ILE B 185 7.256 1.531 -4.900 1.00 64.03 H new ATOM 0 HG22 ILE B 185 7.759 1.446 -3.195 1.00 64.03 H new ATOM 0 HG23 ILE B 185 6.243 2.268 -3.636 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.634 5.220 -5.839 1.00 52.31 H new ATOM 0 HD12 ILE B 185 5.355 3.731 -4.905 1.00 52.31 H new ATOM 0 HD13 ILE B 185 5.904 5.210 -4.080 1.00 52.31 H new ATOM 1054 N GLN B 186 9.430 3.144 -1.000 1.00 51.04 N ATOM 1055 CA GLN B 186 9.609 2.303 0.170 1.00 13.34 C ATOM 1056 C GLN B 186 8.756 2.705 1.356 1.00 43.21 C ATOM 1057 O GLN B 186 8.134 1.872 2.012 1.00 14.42 O ATOM 1058 CB GLN B 186 11.052 2.077 0.515 1.00 3.31 C ATOM 1059 CG GLN B 186 12.015 3.252 0.564 1.00 30.13 C ATOM 1060 CD GLN B 186 11.713 4.332 1.576 1.00 33.34 C ATOM 1061 OE1 GLN B 186 11.042 5.313 1.268 1.00 41.14 O ATOM 1062 NE2 GLN B 186 12.176 4.152 2.775 1.00 12.44 N ATOM 0 H GLN B 186 10.274 3.608 -1.335 1.00 51.04 H new ATOM 0 HA GLN B 186 9.222 1.327 -0.121 1.00 13.34 H new ATOM 0 HB2 GLN B 186 11.080 1.594 1.492 1.00 3.31 H new ATOM 0 HB3 GLN B 186 11.449 1.362 -0.205 1.00 3.31 H new ATOM 0 HG2 GLN B 186 13.014 2.866 0.766 1.00 30.13 H new ATOM 0 HG3 GLN B 186 12.044 3.710 -0.425 1.00 30.13 H new ATOM 0 HE21 GLN B 186 12.730 3.322 2.989 1.00 12.44 H new ATOM 0 HE22 GLN B 186 11.986 4.840 3.504 1.00 12.44 H new ATOM 1071 N LYS B 187 8.686 3.974 1.566 1.00 22.52 N ATOM 1072 CA LYS B 187 7.863 4.562 2.614 1.00 74.33 C ATOM 1073 C LYS B 187 6.386 4.383 2.282 1.00 72.42 C ATOM 1074 O LYS B 187 5.529 4.274 3.165 1.00 44.24 O ATOM 1075 CB LYS B 187 8.158 6.040 2.769 1.00 51.52 C ATOM 1076 CG LYS B 187 7.722 6.527 4.119 1.00 61.53 C ATOM 1077 CD LYS B 187 7.838 8.019 4.307 1.00 22.21 C ATOM 1078 CE LYS B 187 6.617 8.787 3.785 1.00 31.44 C ATOM 1079 NZ LYS B 187 6.513 8.849 2.319 1.00 31.33 N1+ ATOM 0 H LYS B 187 9.201 4.661 1.015 1.00 22.52 H new ATOM 0 HA LYS B 187 8.097 4.053 3.549 1.00 74.33 H new ATOM 0 HB2 LYS B 187 9.225 6.219 2.639 1.00 51.52 H new ATOM 0 HB3 LYS B 187 7.644 6.603 1.990 1.00 51.52 H new ATOM 0 HG2 LYS B 187 6.686 6.231 4.282 1.00 61.53 H new ATOM 0 HG3 LYS B 187 8.319 6.029 4.883 1.00 61.53 H new ATOM 0 HD2 LYS B 187 7.971 8.237 5.367 1.00 22.21 H new ATOM 0 HD3 LYS B 187 8.731 8.376 3.794 1.00 22.21 H new ATOM 0 HE2 LYS B 187 5.715 8.321 4.181 1.00 31.44 H new ATOM 0 HE3 LYS B 187 6.649 9.804 4.177 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 5.946 9.677 2.046 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 7.464 8.930 1.907 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 6.055 7.984 1.967 1.00 31.33 H new ATOM 1093 N GLU B 188 6.106 4.348 1.011 1.00 1.40 N ATOM 1094 CA GLU B 188 4.778 4.150 0.496 1.00 41.11 C ATOM 1095 C GLU B 188 4.328 2.701 0.709 1.00 55.30 C ATOM 1096 O GLU B 188 3.166 2.436 0.986 1.00 1.32 O ATOM 1097 CB GLU B 188 4.754 4.531 -0.978 1.00 0.21 C ATOM 1098 CG GLU B 188 4.623 6.035 -1.289 1.00 71.14 C ATOM 1099 CD GLU B 188 5.576 6.988 -0.583 1.00 11.41 C ATOM 1100 OE1 GLU B 188 5.526 7.101 0.653 1.00 62.41 O1- ATOM 1101 OE2 GLU B 188 6.346 7.698 -1.264 1.00 31.44 O ATOM 0 H GLU B 188 6.812 4.459 0.284 1.00 1.40 H new ATOM 0 HA GLU B 188 4.076 4.787 1.034 1.00 41.11 H new ATOM 0 HB2 GLU B 188 5.669 4.163 -1.442 1.00 0.21 H new ATOM 0 HB3 GLU B 188 3.924 4.009 -1.454 1.00 0.21 H new ATOM 0 HG2 GLU B 188 4.750 6.168 -2.363 1.00 71.14 H new ATOM 0 HG3 GLU B 188 3.604 6.340 -1.049 1.00 71.14 H new ATOM 1108 N ALA B 189 5.269 1.778 0.603 1.00 22.15 N ATOM 1109 CA ALA B 189 5.010 0.366 0.847 1.00 34.34 C ATOM 1110 C ALA B 189 4.727 0.149 2.331 1.00 10.01 C ATOM 1111 O ALA B 189 3.858 -0.654 2.712 1.00 70.11 O ATOM 1112 CB ALA B 189 6.202 -0.471 0.400 1.00 52.44 C ATOM 0 H ALA B 189 6.234 1.985 0.346 1.00 22.15 H new ATOM 0 HA ALA B 189 4.139 0.053 0.272 1.00 34.34 H new ATOM 0 HB1 ALA B 189 5.997 -1.525 0.587 1.00 52.44 H new ATOM 0 HB2 ALA B 189 6.375 -0.319 -0.665 1.00 52.44 H new ATOM 0 HB3 ALA B 189 7.088 -0.169 0.958 1.00 52.44 H new ATOM 1118 N GLN B 190 5.440 0.916 3.159 1.00 64.45 N ATOM 1119 CA GLN B 190 5.302 0.891 4.620 1.00 73.23 C ATOM 1120 C GLN B 190 3.864 1.125 5.069 1.00 61.30 C ATOM 1121 O GLN B 190 3.447 0.588 6.083 1.00 21.21 O ATOM 1122 CB GLN B 190 6.227 1.925 5.259 1.00 2.33 C ATOM 1123 CG GLN B 190 7.705 1.581 5.161 1.00 20.12 C ATOM 1124 CD GLN B 190 8.141 0.517 6.122 1.00 2.31 C ATOM 1125 OE1 GLN B 190 7.381 -0.361 6.484 1.00 32.22 O ATOM 1126 NE2 GLN B 190 9.363 0.578 6.538 1.00 62.14 N ATOM 0 H GLN B 190 6.140 1.582 2.831 1.00 64.45 H new ATOM 0 HA GLN B 190 5.589 -0.107 4.953 1.00 73.23 H new ATOM 0 HB2 GLN B 190 6.058 2.891 4.784 1.00 2.33 H new ATOM 0 HB3 GLN B 190 5.960 2.036 6.310 1.00 2.33 H new ATOM 0 HG2 GLN B 190 7.926 1.253 4.145 1.00 20.12 H new ATOM 0 HG3 GLN B 190 8.291 2.482 5.340 1.00 20.12 H new ATOM 0 HE21 GLN B 190 9.975 1.327 6.215 1.00 62.14 H new ATOM 0 HE22 GLN B 190 9.716 -0.123 7.189 1.00 62.14 H new ATOM 1135 N GLU B 191 3.114 1.885 4.270 1.00 20.43 N ATOM 1136 CA GLU B 191 1.711 2.208 4.538 1.00 21.04 C ATOM 1137 C GLU B 191 0.893 0.933 4.810 1.00 11.53 C ATOM 1138 O GLU B 191 0.194 0.834 5.811 1.00 43.14 O ATOM 1139 CB GLU B 191 1.133 2.967 3.332 1.00 13.23 C ATOM 1140 CG GLU B 191 -0.342 3.346 3.427 1.00 73.14 C ATOM 1141 CD GLU B 191 -0.658 4.273 4.575 1.00 25.30 C ATOM 1142 OE1 GLU B 191 -0.187 5.431 4.586 1.00 63.00 O ATOM 1143 OE2 GLU B 191 -1.416 3.859 5.471 1.00 14.54 O1- ATOM 0 H GLU B 191 3.468 2.299 3.408 1.00 20.43 H new ATOM 0 HA GLU B 191 1.654 2.834 5.429 1.00 21.04 H new ATOM 0 HB2 GLU B 191 1.714 3.878 3.189 1.00 13.23 H new ATOM 0 HB3 GLU B 191 1.274 2.355 2.441 1.00 13.23 H new ATOM 0 HG2 GLU B 191 -0.647 3.820 2.494 1.00 73.14 H new ATOM 0 HG3 GLU B 191 -0.935 2.438 3.531 1.00 73.14 H new ATOM 1150 N ALA B 192 0.974 -0.025 3.913 1.00 12.05 N ATOM 1151 CA ALA B 192 0.244 -1.271 4.086 1.00 52.44 C ATOM 1152 C ALA B 192 1.022 -2.272 4.939 1.00 63.31 C ATOM 1153 O ALA B 192 0.434 -3.011 5.732 1.00 62.12 O ATOM 1154 CB ALA B 192 -0.109 -1.885 2.750 1.00 12.11 C ATOM 0 H ALA B 192 1.532 0.029 3.061 1.00 12.05 H new ATOM 0 HA ALA B 192 -0.679 -1.028 4.613 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.654 -2.815 2.910 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -0.732 -1.192 2.184 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.804 -2.091 2.192 1.00 12.11 H new ATOM 1160 N LEU B 193 2.346 -2.244 4.781 1.00 21.32 N ATOM 1161 CA LEU B 193 3.294 -3.173 5.392 1.00 65.15 C ATOM 1162 C LEU B 193 3.099 -3.248 6.883 1.00 0.51 C ATOM 1163 O LEU B 193 2.812 -4.303 7.451 1.00 31.01 O ATOM 1164 CB LEU B 193 4.694 -2.624 5.107 1.00 24.10 C ATOM 1165 CG LEU B 193 5.896 -3.525 5.353 1.00 35.55 C ATOM 1166 CD1 LEU B 193 7.006 -3.145 4.399 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.392 -3.306 6.748 1.00 3.03 C ATOM 0 H LEU B 193 2.805 -1.543 4.199 1.00 21.32 H new ATOM 0 HA LEU B 193 3.150 -4.173 4.983 1.00 65.15 H new ATOM 0 HB2 LEU B 193 4.721 -2.314 4.062 1.00 24.10 H new ATOM 0 HB3 LEU B 193 4.826 -1.725 5.709 1.00 24.10 H new ATOM 0 HG LEU B 193 5.606 -4.565 5.206 1.00 35.55 H new ATOM 0 HD11 LEU B 193 7.870 -3.787 4.571 1.00 41.22 H new ATOM 0 HD12 LEU B 193 6.661 -3.268 3.372 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.288 -2.105 4.565 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.253 -3.948 6.933 1.00 3.03 H new ATOM 0 HD22 LEU B 193 6.684 -2.263 6.871 1.00 3.03 H new ATOM 0 HD23 LEU B 193 5.601 -3.548 7.458 1.00 3.03 H new ATOM 1179 N GLU B 194 3.254 -2.115 7.477 1.00 32.42 N ATOM 1180 CA GLU B 194 3.206 -1.894 8.808 1.00 1.13 C ATOM 1181 C GLU B 194 1.868 -2.264 9.412 1.00 25.31 C ATOM 1182 O GLU B 194 1.788 -3.024 10.378 1.00 45.10 O ATOM 1183 CB GLU B 194 3.455 -0.437 8.916 1.00 42.50 C ATOM 1184 CG GLU B 194 3.257 0.010 10.264 1.00 61.52 C ATOM 1185 CD GLU B 194 3.961 1.274 10.608 1.00 43.35 C ATOM 1186 OE1 GLU B 194 5.163 1.223 10.907 1.00 73.13 O ATOM 1187 OE2 GLU B 194 3.338 2.340 10.601 1.00 14.30 O1- ATOM 0 H GLU B 194 3.434 -1.259 6.952 1.00 32.42 H new ATOM 0 HA GLU B 194 3.927 -2.503 9.353 1.00 1.13 H new ATOM 0 HB2 GLU B 194 4.473 -0.212 8.598 1.00 42.50 H new ATOM 0 HB3 GLU B 194 2.785 0.103 8.246 1.00 42.50 H new ATOM 0 HG2 GLU B 194 2.189 0.147 10.434 1.00 61.52 H new ATOM 0 HG3 GLU B 194 3.591 -0.773 10.945 1.00 61.52 H new ATOM 1194 N LYS B 195 0.873 -1.704 8.829 1.00 35.45 N ATOM 1195 CA LYS B 195 -0.472 -1.801 9.179 1.00 0.22 C ATOM 1196 C LYS B 195 -0.962 -3.247 9.279 1.00 34.32 C ATOM 1197 O LYS B 195 -1.674 -3.591 10.230 1.00 24.42 O ATOM 1198 CB LYS B 195 -1.151 -1.065 8.089 1.00 52.22 C ATOM 1199 CG LYS B 195 -2.625 -1.044 8.107 1.00 23.11 C ATOM 1200 CD LYS B 195 -3.131 -0.303 6.892 1.00 42.32 C ATOM 1201 CE LYS B 195 -2.698 1.155 6.893 1.00 61.10 C ATOM 1202 NZ LYS B 195 -3.042 1.830 5.632 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.009 -1.108 8.012 1.00 35.45 H new ATOM 0 HA LYS B 195 -0.672 -1.394 10.170 1.00 0.22 H new ATOM 0 HB2 LYS B 195 -0.798 -0.034 8.107 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -0.831 -1.495 7.140 1.00 52.22 H new ATOM 0 HG2 LYS B 195 -3.014 -2.062 8.114 1.00 23.11 H new ATOM 0 HG3 LYS B 195 -2.982 -0.560 9.016 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -2.761 -0.790 5.990 1.00 42.32 H new ATOM 0 HD3 LYS B 195 -4.219 -0.358 6.861 1.00 42.32 H new ATOM 0 HE2 LYS B 195 -3.174 1.675 7.725 1.00 61.10 H new ATOM 0 HE3 LYS B 195 -1.622 1.214 7.055 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 -2.220 2.368 5.291 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 -3.311 1.121 4.921 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 -3.839 2.479 5.792 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.580 -4.087 8.329 1.00 42.45 N ATOM 1217 CA LEU B 196 -1.024 -5.423 8.309 1.00 65.11 C ATOM 1218 C LEU B 196 -0.358 -6.242 9.393 1.00 32.01 C ATOM 1219 O LEU B 196 -0.987 -7.122 9.997 1.00 22.43 O ATOM 1220 CB LEU B 196 -0.764 -6.016 6.922 1.00 75.42 C ATOM 1221 CG LEU B 196 0.613 -6.597 6.584 1.00 24.30 C ATOM 1222 CD1 LEU B 196 0.668 -8.087 6.935 1.00 63.01 C ATOM 1223 CD2 LEU B 196 0.916 -6.376 5.122 1.00 63.35 C ATOM 0 H LEU B 196 0.046 -3.837 7.563 1.00 42.45 H new ATOM 0 HA LEU B 196 -2.095 -5.446 8.512 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -1.497 -6.807 6.765 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -0.975 -5.236 6.191 1.00 75.42 H new ATOM 0 HG LEU B 196 1.370 -6.085 7.178 1.00 24.30 H new ATOM 0 HD11 LEU B 196 1.653 -8.483 6.688 1.00 63.01 H new ATOM 0 HD12 LEU B 196 0.481 -8.217 8.001 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -0.091 -8.623 6.366 1.00 63.01 H new ATOM 0 HD21 LEU B 196 1.896 -6.791 4.887 1.00 63.35 H new ATOM 0 HD22 LEU B 196 0.158 -6.870 4.515 1.00 63.35 H new ATOM 0 HD23 LEU B 196 0.913 -5.307 4.907 1.00 63.35 H new ATOM 1235 N GLN B 197 0.897 -5.960 9.623 1.00 54.12 N ATOM 1236 CA GLN B 197 1.671 -6.694 10.580 1.00 1.52 C ATOM 1237 C GLN B 197 1.283 -6.332 11.992 1.00 14.31 C ATOM 1238 O GLN B 197 0.731 -5.251 12.241 1.00 23.34 O ATOM 1239 CB GLN B 197 3.165 -6.465 10.389 1.00 12.04 C ATOM 1240 CG GLN B 197 3.712 -6.998 9.087 1.00 14.33 C ATOM 1241 CD GLN B 197 5.206 -6.829 8.977 1.00 33.32 C ATOM 1242 OE1 GLN B 197 5.931 -6.836 9.974 1.00 54.42 O ATOM 1243 NE2 GLN B 197 5.687 -6.696 7.778 1.00 34.25 N ATOM 0 H GLN B 197 1.409 -5.215 9.151 1.00 54.12 H new ATOM 0 HA GLN B 197 1.457 -7.750 10.413 1.00 1.52 H new ATOM 0 HB2 GLN B 197 3.367 -5.395 10.444 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.701 -6.934 11.214 1.00 12.04 H new ATOM 0 HG2 GLN B 197 3.461 -8.055 8.997 1.00 14.33 H new ATOM 0 HG3 GLN B 197 3.229 -6.484 8.256 1.00 14.33 H new ATOM 0 HE21 GLN B 197 5.059 -6.694 6.974 1.00 34.25 H new ATOM 0 HE22 GLN B 197 6.692 -6.593 7.640 1.00 34.25 H new ATOM 1252 N SER B 198 1.555 -7.222 12.906 1.00 33.54 N ATOM 1253 CA SER B 198 1.315 -6.963 14.281 1.00 12.43 C ATOM 1254 C SER B 198 2.342 -5.932 14.737 1.00 1.54 C ATOM 1255 O SER B 198 3.550 -6.074 14.461 1.00 24.20 O ATOM 1256 CB SER B 198 1.450 -8.261 15.053 1.00 25.00 C ATOM 1257 OG SER B 198 0.657 -9.275 14.439 1.00 4.45 O ATOM 0 H SER B 198 1.948 -8.142 12.710 1.00 33.54 H new ATOM 0 HA SER B 198 0.312 -6.573 14.454 1.00 12.43 H new ATOM 0 HB2 SER B 198 2.495 -8.571 15.081 1.00 25.00 H new ATOM 0 HB3 SER B 198 1.133 -8.115 16.086 1.00 25.00 H new ATOM 0 HG SER B 198 0.750 -10.112 14.941 1.00 4.45 H new ATOM 1263 N HIS B 199 1.879 -4.911 15.380 1.00 64.41 N ATOM 1264 CA HIS B 199 2.718 -3.827 15.769 1.00 72.30 C ATOM 1265 C HIS B 199 2.561 -3.621 17.244 1.00 63.44 C ATOM 1266 O HIS B 199 1.539 -3.057 17.666 1.00 64.51 O ATOM 1267 CB HIS B 199 2.339 -2.563 14.984 1.00 55.12 C ATOM 1268 CG HIS B 199 3.268 -1.404 15.186 1.00 44.44 C ATOM 1269 ND1 HIS B 199 2.872 -0.207 15.720 1.00 1.01 N ATOM 1270 CD2 HIS B 199 4.577 -1.257 14.883 1.00 11.40 C ATOM 1271 CE1 HIS B 199 3.884 0.622 15.738 1.00 1.32 C ATOM 1272 NE2 HIS B 199 4.933 0.012 15.239 1.00 12.31 N ATOM 0 H HIS B 199 0.902 -4.805 15.652 1.00 64.41 H new ATOM 0 HA HIS B 199 3.762 -4.049 15.546 1.00 72.30 H new ATOM 0 HB2 HIS B 199 2.307 -2.806 13.922 1.00 55.12 H new ATOM 0 HB3 HIS B 199 1.332 -2.260 15.272 1.00 55.12 H new ATOM 0 HD2 HIS B 199 5.221 -2.004 14.442 1.00 11.40 H new ATOM 0 HE1 HIS B 199 3.860 1.638 16.103 1.00 1.32 H new ATOM 0 HE2 HIS B 199 5.862 0.419 15.134 1.00 12.31 H new