USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 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 186 GLN : amide:sc= 0.815 K(o=1.7,f=0.081) USER MOD Set 1.2: B 190 GLN : amide:sc= 0.889 K(o=1.7,f=0.081) USER MOD Set 2.1: B 134 GLN : amide:sc= -0.741! C(o=0.54!,f=-15!) USER MOD Set 2.2: B 173 LYS NZ :NH3+ 163:sc= 1.28 (180deg=0) USER MOD Set 3.1: B 145 GLN :FLIP amide:sc= -0.481 F(o=-3.7!,f=-0.48) USER MOD Set 3.2: B 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 137 SER OG : rot -36:sc= 0.289 USER MOD Single : B 138 SER OG : rot 85:sc= -1.03 USER MOD Single : B 140 ASN : amide:sc= -10.7! C(o=-11!,f=-19!) USER MOD Single : B 142 GLN : amide:sc= -0.0839 X(o=-0.084,f=-0.3) USER MOD Single : B 152 SER OG : rot 107:sc= 1.23 USER MOD Single : B 153 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : B 156 SER OG : rot 180:sc= 0.00621 USER MOD Single : B 159 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 161 GLN : amide:sc= -0.197 K(o=-0.2,f=-4.3!) USER MOD Single : B 162 LYS NZ :NH3+ 146:sc= 0.00732 (180deg=-0.219) USER MOD Single : B 163 GLN :FLIP amide:sc=-0.000844 F(o=-0.85,f=-0.00084) USER MOD Single : B 166 LYS NZ :NH3+ -152:sc= -0.185 (180deg=-0.795) USER MOD Single : B 176 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 178 GLN : amide:sc= -0.0939 X(o=-0.094,f=-0.3) USER MOD Single : B 179 SER OG : rot 180:sc= 0 USER MOD Single : B 180 HIS : no HE2:sc= 0.908 K(o=0.91,f=-4.5!) USER MOD Single : B 182 ASN : amide:sc= 1.18 K(o=1.2,f=-0.024) USER MOD Single : B 187 LYS NZ :NH3+ -150:sc= 1.07 (180deg=0.205) USER MOD Single : B 195 LYS NZ :NH3+ -112:sc= -0.46! (180deg=-2.02!) USER MOD Single : B 197 GLN : amide:sc= -0.522 K(o=-0.52,f=-2.9!) 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=-0.0041) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -13.365 -3.289 0.874 1.00 55.53 N ATOM 177 CA LEU B 129 -12.074 -3.468 1.529 1.00 45.21 C ATOM 178 C LEU B 129 -10.901 -3.563 0.537 1.00 33.52 C ATOM 179 O LEU B 129 -9.873 -2.952 0.776 1.00 22.43 O ATOM 180 CB LEU B 129 -12.080 -4.652 2.499 1.00 71.14 C ATOM 181 CG LEU B 129 -13.116 -4.589 3.620 1.00 72.10 C ATOM 182 CD1 LEU B 129 -12.980 -5.786 4.530 1.00 71.02 C ATOM 183 CD2 LEU B 129 -12.990 -3.298 4.414 1.00 45.41 C ATOM 0 HA LEU B 129 -11.913 -2.562 2.114 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -12.247 -5.565 1.927 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -11.090 -4.734 2.949 1.00 71.14 H new ATOM 0 HG LEU B 129 -14.106 -4.606 3.165 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -13.725 -5.726 5.323 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -13.134 -6.699 3.955 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -11.982 -5.798 4.969 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -13.740 -3.282 5.204 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -11.996 -3.239 4.856 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -13.144 -2.447 3.751 1.00 45.41 H new ATOM 195 N PRO B 130 -11.004 -4.326 -0.594 1.00 0.32 N ATOM 196 CA PRO B 130 -9.943 -4.342 -1.591 1.00 63.11 C ATOM 197 C PRO B 130 -9.604 -2.943 -2.097 1.00 21.50 C ATOM 198 O PRO B 130 -8.466 -2.654 -2.332 1.00 1.14 O ATOM 199 CB PRO B 130 -10.524 -5.176 -2.725 1.00 74.52 C ATOM 200 CG PRO B 130 -11.465 -6.090 -2.051 1.00 3.43 C ATOM 201 CD PRO B 130 -12.083 -5.277 -0.960 1.00 14.32 C ATOM 0 HA PRO B 130 -9.014 -4.740 -1.182 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -11.032 -4.551 -3.460 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -9.746 -5.725 -3.256 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -12.221 -6.459 -2.744 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -10.948 -6.962 -1.649 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.978 -4.758 -1.302 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.378 -5.897 -0.113 1.00 14.32 H new ATOM 209 N ALA B 131 -10.593 -2.059 -2.170 1.00 12.31 N ATOM 210 CA ALA B 131 -10.396 -0.719 -2.735 1.00 41.31 C ATOM 211 C ALA B 131 -9.368 0.103 -1.972 1.00 3.12 C ATOM 212 O ALA B 131 -8.659 0.909 -2.565 1.00 52.45 O ATOM 213 CB ALA B 131 -11.708 0.033 -2.842 1.00 12.14 C ATOM 0 H ALA B 131 -11.543 -2.242 -1.846 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.998 -0.871 -3.738 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -11.527 1.022 -3.264 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -12.392 -0.518 -3.488 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -12.150 0.137 -1.851 1.00 12.14 H new ATOM 219 N LEU B 132 -9.269 -0.118 -0.678 1.00 31.23 N ATOM 220 CA LEU B 132 -8.311 0.612 0.122 1.00 71.30 C ATOM 221 C LEU B 132 -6.897 0.043 -0.114 1.00 32.55 C ATOM 222 O LEU B 132 -5.903 0.733 0.040 1.00 34.51 O ATOM 223 CB LEU B 132 -8.744 0.599 1.631 1.00 34.00 C ATOM 224 CG LEU B 132 -8.716 -0.770 2.378 1.00 41.21 C ATOM 225 CD1 LEU B 132 -7.329 -1.132 2.896 1.00 25.22 C ATOM 226 CD2 LEU B 132 -9.749 -0.840 3.492 1.00 65.03 C ATOM 0 H LEU B 132 -9.835 -0.791 -0.162 1.00 31.23 H new ATOM 0 HA LEU B 132 -8.285 1.659 -0.181 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -8.098 1.290 2.172 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -9.758 0.995 1.693 1.00 34.00 H new ATOM 0 HG LEU B 132 -8.984 -1.518 1.631 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -7.371 -2.094 3.407 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -6.633 -1.195 2.059 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -6.990 -0.366 3.593 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -9.690 -1.812 3.982 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -9.552 -0.054 4.221 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -10.746 -0.705 3.073 1.00 65.03 H new ATOM 238 N VAL B 133 -6.834 -1.243 -0.444 1.00 20.30 N ATOM 239 CA VAL B 133 -5.572 -1.915 -0.703 1.00 2.44 C ATOM 240 C VAL B 133 -5.086 -1.778 -2.147 1.00 41.43 C ATOM 241 O VAL B 133 -3.898 -1.728 -2.401 1.00 11.14 O ATOM 242 CB VAL B 133 -5.612 -3.406 -0.305 1.00 33.41 C ATOM 243 CG1 VAL B 133 -6.001 -4.348 -1.412 1.00 1.21 C ATOM 244 CG2 VAL B 133 -4.364 -3.811 0.393 1.00 60.04 C ATOM 0 H VAL B 133 -7.653 -1.843 -0.538 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.852 -1.398 -0.069 1.00 2.44 H new ATOM 0 HB VAL B 133 -6.434 -3.497 0.405 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -6.001 -5.371 -1.036 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -6.998 -4.094 -1.772 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.286 -4.262 -2.231 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.423 -4.866 0.660 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.510 -3.650 -0.265 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -4.242 -3.214 1.297 1.00 60.04 H new ATOM 254 N GLN B 134 -6.033 -1.742 -3.071 1.00 51.03 N ATOM 255 CA GLN B 134 -5.776 -1.856 -4.517 1.00 1.43 C ATOM 256 C GLN B 134 -4.669 -0.969 -5.052 1.00 10.22 C ATOM 257 O GLN B 134 -3.827 -1.418 -5.842 1.00 3.33 O ATOM 258 CB GLN B 134 -7.044 -1.688 -5.366 1.00 62.21 C ATOM 259 CG GLN B 134 -8.047 -2.833 -5.258 1.00 72.32 C ATOM 260 CD GLN B 134 -7.510 -4.183 -5.719 1.00 12.24 C ATOM 261 OE1 GLN B 134 -6.312 -4.472 -5.642 1.00 42.42 O ATOM 262 NE2 GLN B 134 -8.391 -5.029 -6.154 1.00 42.35 N ATOM 0 H GLN B 134 -7.021 -1.631 -2.844 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.417 -2.880 -4.617 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.539 -0.762 -5.074 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.752 -1.577 -6.410 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -8.372 -2.919 -4.221 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.929 -2.585 -5.849 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -9.374 -4.761 -6.206 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -8.101 -5.963 -6.444 1.00 42.35 H new ATOM 271 N LEU B 135 -4.664 0.256 -4.613 1.00 31.00 N ATOM 272 CA LEU B 135 -3.690 1.247 -5.037 1.00 53.40 C ATOM 273 C LEU B 135 -2.273 0.879 -4.635 1.00 44.52 C ATOM 274 O LEU B 135 -1.355 1.239 -5.309 1.00 61.22 O ATOM 275 CB LEU B 135 -4.016 2.644 -4.501 1.00 12.34 C ATOM 276 CG LEU B 135 -4.176 2.774 -2.980 1.00 11.04 C ATOM 277 CD1 LEU B 135 -3.895 4.194 -2.548 1.00 24.03 C ATOM 278 CD2 LEU B 135 -5.589 2.381 -2.556 1.00 52.53 C ATOM 0 H LEU B 135 -5.343 0.610 -3.939 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.750 1.262 -6.125 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -3.227 3.325 -4.820 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.939 2.983 -4.971 1.00 12.34 H new ATOM 0 HG LEU B 135 -3.463 2.103 -2.501 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -4.011 4.275 -1.467 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -2.876 4.463 -2.825 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -4.595 4.869 -3.040 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -5.685 2.479 -1.475 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -6.311 3.035 -3.045 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -5.782 1.348 -2.845 1.00 52.53 H new ATOM 290 N LEU B 136 -2.122 0.098 -3.559 1.00 21.22 N ATOM 291 CA LEU B 136 -0.794 -0.305 -3.035 1.00 44.41 C ATOM 292 C LEU B 136 -0.122 -1.199 -4.049 1.00 40.11 C ATOM 293 O LEU B 136 1.083 -1.345 -4.079 1.00 61.31 O ATOM 294 CB LEU B 136 -0.989 -1.127 -1.755 1.00 1.14 C ATOM 295 CG LEU B 136 -0.015 -0.913 -0.564 1.00 52.41 C ATOM 296 CD1 LEU B 136 1.399 -1.364 -0.884 1.00 41.23 C ATOM 297 CD2 LEU B 136 -0.026 0.540 -0.103 1.00 34.05 C ATOM 0 H LEU B 136 -2.906 -0.275 -3.024 1.00 21.22 H new ATOM 0 HA LEU B 136 -0.195 0.584 -2.837 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -1.999 -0.935 -1.392 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -0.944 -2.181 -2.031 1.00 1.14 H new ATOM 0 HG LEU B 136 -0.374 -1.540 0.252 1.00 52.41 H new ATOM 0 HD11 LEU B 136 2.040 -1.193 -0.019 1.00 41.23 H new ATOM 0 HD12 LEU B 136 1.396 -2.426 -1.129 1.00 41.23 H new ATOM 0 HD13 LEU B 136 1.778 -0.797 -1.734 1.00 41.23 H new ATOM 0 HD21 LEU B 136 0.664 0.662 0.732 1.00 34.05 H new ATOM 0 HD22 LEU B 136 0.282 1.185 -0.926 1.00 34.05 H new ATOM 0 HD23 LEU B 136 -1.032 0.813 0.215 1.00 34.05 H new ATOM 309 N SER B 137 -0.918 -1.772 -4.889 1.00 11.45 N ATOM 310 CA SER B 137 -0.444 -2.716 -5.803 1.00 2.00 C ATOM 311 C SER B 137 -0.246 -2.092 -7.208 1.00 23.45 C ATOM 312 O SER B 137 -0.105 -2.831 -8.209 1.00 1.12 O ATOM 313 CB SER B 137 -1.427 -3.900 -5.831 1.00 70.13 C ATOM 314 OG SER B 137 -1.045 -4.921 -6.731 1.00 44.15 O ATOM 0 H SER B 137 -1.919 -1.587 -4.949 1.00 11.45 H new ATOM 0 HA SER B 137 0.538 -3.073 -5.491 1.00 2.00 H new ATOM 0 HB2 SER B 137 -1.508 -4.320 -4.828 1.00 70.13 H new ATOM 0 HB3 SER B 137 -2.417 -3.535 -6.105 1.00 70.13 H new ATOM 0 HG SER B 137 -0.637 -4.520 -7.527 1.00 44.15 H new ATOM 320 N SER B 138 -0.215 -0.761 -7.290 1.00 30.13 N ATOM 321 CA SER B 138 -0.096 -0.085 -8.550 1.00 70.24 C ATOM 322 C SER B 138 1.307 -0.288 -9.156 1.00 64.22 C ATOM 323 O SER B 138 2.285 -0.426 -8.418 1.00 31.04 O ATOM 324 CB SER B 138 -0.330 1.388 -8.287 1.00 65.30 C ATOM 325 OG SER B 138 0.653 1.886 -7.419 1.00 2.10 O ATOM 0 H SER B 138 -0.272 -0.140 -6.483 1.00 30.13 H new ATOM 0 HA SER B 138 -0.821 -0.484 -9.260 1.00 70.24 H new ATOM 0 HB2 SER B 138 -0.310 1.941 -9.226 1.00 65.30 H new ATOM 0 HB3 SER B 138 -1.318 1.535 -7.852 1.00 65.30 H new ATOM 0 HG SER B 138 1.446 2.141 -7.935 1.00 2.10 H new ATOM 331 N PRO B 139 1.420 -0.308 -10.499 1.00 3.54 N ATOM 332 CA PRO B 139 2.727 -0.348 -11.188 1.00 24.41 C ATOM 333 C PRO B 139 3.361 1.052 -11.099 1.00 3.55 C ATOM 334 O PRO B 139 4.587 1.233 -11.020 1.00 33.11 O ATOM 335 CB PRO B 139 2.312 -0.551 -12.665 1.00 51.14 C ATOM 336 CG PRO B 139 0.995 0.135 -12.699 1.00 12.24 C ATOM 337 CD PRO B 139 0.298 -0.315 -11.471 1.00 64.24 C ATOM 0 HA PRO B 139 3.414 -1.095 -10.789 1.00 24.41 H new ATOM 0 HB2 PRO B 139 3.026 -0.104 -13.357 1.00 51.14 H new ATOM 0 HB3 PRO B 139 2.232 -1.606 -12.927 1.00 51.14 H new ATOM 0 HG2 PRO B 139 1.114 1.218 -12.711 1.00 12.24 H new ATOM 0 HG3 PRO B 139 0.433 -0.134 -13.593 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -0.506 0.361 -11.180 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -0.144 -1.305 -11.585 1.00 64.24 H new ATOM 345 N ASN B 140 2.460 2.013 -11.075 1.00 23.02 N ATOM 346 CA ASN B 140 2.660 3.359 -11.177 1.00 20.23 C ATOM 347 C ASN B 140 2.957 3.964 -9.858 1.00 43.12 C ATOM 348 O ASN B 140 2.074 4.418 -9.136 1.00 34.53 O ATOM 349 CB ASN B 140 1.451 4.008 -11.915 1.00 62.14 C ATOM 350 CG ASN B 140 0.122 3.270 -11.820 1.00 24.03 C ATOM 351 OD1 ASN B 140 -0.159 2.577 -10.896 1.00 54.34 O ATOM 352 ND2 ASN B 140 -0.701 3.445 -12.818 1.00 42.30 N ATOM 0 H ASN B 140 1.470 1.793 -10.969 1.00 23.02 H new ATOM 0 HA ASN B 140 3.546 3.557 -11.780 1.00 20.23 H new ATOM 0 HB2 ASN B 140 1.311 5.015 -11.521 1.00 62.14 H new ATOM 0 HB3 ASN B 140 1.710 4.111 -12.969 1.00 62.14 H new ATOM 0 HD21 ASN B 140 -1.610 2.982 -12.817 1.00 42.30 H new ATOM 0 HD22 ASN B 140 -0.435 4.045 -13.599 1.00 42.30 H new ATOM 359 N GLU B 141 4.228 3.935 -9.555 1.00 73.15 N ATOM 360 CA GLU B 141 4.806 4.435 -8.332 1.00 45.35 C ATOM 361 C GLU B 141 4.395 5.868 -8.070 1.00 73.44 C ATOM 362 O GLU B 141 4.135 6.252 -6.935 1.00 64.43 O ATOM 363 CB GLU B 141 6.314 4.334 -8.448 1.00 72.42 C ATOM 364 CG GLU B 141 6.816 2.907 -8.540 1.00 31.50 C ATOM 365 CD GLU B 141 8.284 2.834 -8.823 1.00 2.21 C ATOM 366 OE1 GLU B 141 9.088 2.859 -7.885 1.00 72.31 O ATOM 367 OE2 GLU B 141 8.657 2.737 -10.006 1.00 2.24 O1- ATOM 0 H GLU B 141 4.926 3.542 -10.187 1.00 73.15 H new ATOM 0 HA GLU B 141 4.446 3.840 -7.493 1.00 45.35 H new ATOM 0 HB2 GLU B 141 6.641 4.884 -9.331 1.00 72.42 H new ATOM 0 HB3 GLU B 141 6.771 4.817 -7.584 1.00 72.42 H new ATOM 0 HG2 GLU B 141 6.603 2.389 -7.605 1.00 31.50 H new ATOM 0 HG3 GLU B 141 6.271 2.383 -9.325 1.00 31.50 H new ATOM 374 N GLN B 142 4.321 6.643 -9.120 1.00 51.13 N ATOM 375 CA GLN B 142 3.926 8.030 -9.028 1.00 31.54 C ATOM 376 C GLN B 142 2.493 8.170 -8.576 1.00 51.24 C ATOM 377 O GLN B 142 2.214 8.904 -7.612 1.00 5.41 O ATOM 378 CB GLN B 142 4.095 8.719 -10.370 1.00 3.13 C ATOM 379 CG GLN B 142 5.532 8.881 -10.805 1.00 43.42 C ATOM 380 CD GLN B 142 6.302 9.792 -9.888 1.00 72.43 C ATOM 381 OE1 GLN B 142 6.895 9.354 -8.907 1.00 44.11 O ATOM 382 NE2 GLN B 142 6.303 11.057 -10.195 1.00 63.34 N ATOM 0 H GLN B 142 4.533 6.332 -10.068 1.00 51.13 H new ATOM 0 HA GLN B 142 4.571 8.502 -8.287 1.00 31.54 H new ATOM 0 HB2 GLN B 142 3.559 8.149 -11.129 1.00 3.13 H new ATOM 0 HB3 GLN B 142 3.628 9.703 -10.322 1.00 3.13 H new ATOM 0 HG2 GLN B 142 6.014 7.904 -10.833 1.00 43.42 H new ATOM 0 HG3 GLN B 142 5.561 9.280 -11.819 1.00 43.42 H new ATOM 0 HE21 GLN B 142 5.798 11.382 -11.019 1.00 63.34 H new ATOM 0 HE22 GLN B 142 6.809 11.723 -9.611 1.00 63.34 H new ATOM 391 N ILE B 143 1.575 7.457 -9.234 1.00 34.31 N ATOM 392 CA ILE B 143 0.174 7.636 -8.905 1.00 21.53 C ATOM 393 C ILE B 143 -0.159 6.964 -7.585 1.00 1.45 C ATOM 394 O ILE B 143 -1.083 7.390 -6.896 1.00 53.35 O ATOM 395 CB ILE B 143 -0.767 7.203 -10.066 1.00 14.02 C ATOM 396 CG1 ILE B 143 -0.718 5.757 -10.304 1.00 73.10 C ATOM 397 CG2 ILE B 143 -0.318 7.838 -11.348 1.00 44.30 C ATOM 398 CD1 ILE B 143 -1.609 4.859 -9.518 1.00 51.44 C ATOM 0 H ILE B 143 1.772 6.778 -9.969 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.005 8.703 -8.774 1.00 21.53 H new ATOM 0 HB ILE B 143 -1.772 7.508 -9.775 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -0.934 5.591 -11.359 1.00 73.10 H new ATOM 0 HG13 ILE B 143 0.308 5.431 -10.134 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -0.980 7.531 -12.157 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -0.347 8.923 -11.246 1.00 44.30 H new ATOM 0 HG23 ILE B 143 0.701 7.522 -11.573 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -1.443 3.825 -9.821 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -1.388 4.966 -8.456 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -2.649 5.128 -9.701 1.00 51.44 H new ATOM 410 N LEU B 144 0.610 5.901 -7.253 1.00 55.31 N ATOM 411 CA LEU B 144 0.524 5.215 -5.951 1.00 51.23 C ATOM 412 C LEU B 144 0.512 6.264 -4.842 1.00 35.13 C ATOM 413 O LEU B 144 -0.464 6.411 -4.113 1.00 44.33 O ATOM 414 CB LEU B 144 1.771 4.336 -5.744 1.00 3.21 C ATOM 415 CG LEU B 144 1.884 3.617 -4.387 1.00 52.24 C ATOM 416 CD1 LEU B 144 1.345 2.222 -4.420 1.00 13.41 C ATOM 417 CD2 LEU B 144 3.287 3.657 -3.852 1.00 24.12 C ATOM 0 H LEU B 144 1.305 5.499 -7.882 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.379 4.605 -5.928 1.00 51.23 H new ATOM 0 HB2 LEU B 144 1.793 3.584 -6.532 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.655 4.961 -5.874 1.00 3.21 H new ATOM 0 HG LEU B 144 1.251 4.172 -3.695 1.00 52.24 H new ATOM 0 HD11 LEU B 144 1.452 1.767 -3.435 1.00 13.41 H new ATOM 0 HD12 LEU B 144 0.291 2.246 -4.696 1.00 13.41 H new ATOM 0 HD13 LEU B 144 1.899 1.635 -5.153 1.00 13.41 H new ATOM 0 HD21 LEU B 144 3.326 3.139 -2.894 1.00 24.12 H new ATOM 0 HD22 LEU B 144 3.959 3.167 -4.556 1.00 24.12 H new ATOM 0 HD23 LEU B 144 3.596 4.694 -3.717 1.00 24.12 H new ATOM 429 N GLN B 145 1.597 7.043 -4.808 1.00 62.02 N ATOM 430 CA GLN B 145 1.840 8.111 -3.839 1.00 14.14 C ATOM 431 C GLN B 145 0.669 9.083 -3.766 1.00 53.32 C ATOM 432 O GLN B 145 0.225 9.488 -2.682 1.00 13.44 O ATOM 433 CB GLN B 145 3.052 8.900 -4.299 1.00 31.14 C ATOM 434 CG GLN B 145 4.321 8.096 -4.435 1.00 35.44 C ATOM 435 CD GLN B 145 5.441 8.894 -5.084 1.00 5.04 C ATOM 436 OE1 GLN B 145 6.235 8.254 -5.880 1.00 4.41 O flip ATOM 437 NE2 GLN B 145 5.538 10.106 -4.919 1.00 60.40 N flip ATOM 0 H GLN B 145 2.357 6.942 -5.480 1.00 62.02 H new ATOM 0 HA GLN B 145 1.985 7.655 -2.860 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.825 9.358 -5.262 1.00 31.14 H new ATOM 0 HB3 GLN B 145 3.228 9.712 -3.593 1.00 31.14 H new ATOM 0 HG2 GLN B 145 4.642 7.758 -3.450 1.00 35.44 H new ATOM 0 HG3 GLN B 145 4.122 7.204 -5.029 1.00 35.44 H new ATOM 0 HE21 GLN B 145 4.899 10.587 -4.286 1.00 60.40 H new ATOM 0 HE22 GLN B 145 6.257 10.632 -5.415 1.00 60.40 H new ATOM 446 N GLU B 146 0.189 9.464 -4.916 1.00 55.14 N ATOM 447 CA GLU B 146 -0.866 10.461 -5.017 1.00 32.43 C ATOM 448 C GLU B 146 -2.239 9.937 -4.618 1.00 61.02 C ATOM 449 O GLU B 146 -3.053 10.685 -4.058 1.00 62.21 O ATOM 450 CB GLU B 146 -0.888 11.108 -6.385 1.00 61.15 C ATOM 451 CG GLU B 146 0.389 11.863 -6.694 1.00 73.43 C ATOM 452 CD GLU B 146 0.282 12.704 -7.927 1.00 74.32 C ATOM 453 OE1 GLU B 146 0.583 12.216 -9.024 1.00 22.34 O1- ATOM 454 OE2 GLU B 146 -0.111 13.883 -7.810 1.00 3.34 O ATOM 0 H GLU B 146 0.509 9.100 -5.813 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.622 11.231 -4.285 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -1.044 10.341 -7.143 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -1.734 11.793 -6.445 1.00 61.15 H new ATOM 0 HG2 GLU B 146 0.643 12.500 -5.847 1.00 73.43 H new ATOM 0 HG3 GLU B 146 1.206 11.152 -6.815 1.00 73.43 H new ATOM 461 N ALA B 147 -2.503 8.679 -4.886 1.00 15.44 N ATOM 462 CA ALA B 147 -3.757 8.075 -4.476 1.00 72.45 C ATOM 463 C ALA B 147 -3.718 7.793 -2.994 1.00 11.52 C ATOM 464 O ALA B 147 -4.712 7.977 -2.284 1.00 71.22 O ATOM 465 CB ALA B 147 -4.038 6.801 -5.243 1.00 4.23 C ATOM 0 H ALA B 147 -1.871 8.053 -5.384 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.563 8.775 -4.696 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -4.985 6.377 -4.909 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.095 7.023 -6.309 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.236 6.084 -5.064 1.00 4.23 H new ATOM 471 N LEU B 148 -2.537 7.395 -2.519 1.00 50.13 N ATOM 472 CA LEU B 148 -2.307 7.096 -1.116 1.00 10.21 C ATOM 473 C LEU B 148 -2.680 8.272 -0.254 1.00 72.25 C ATOM 474 O LEU B 148 -3.161 8.093 0.822 1.00 11.01 O ATOM 475 CB LEU B 148 -0.838 6.744 -0.864 1.00 24.22 C ATOM 476 CG LEU B 148 -0.357 5.347 -1.274 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.163 5.268 -1.186 1.00 75.04 C ATOM 478 CD2 LEU B 148 -0.976 4.286 -0.375 1.00 53.12 C ATOM 0 H LEU B 148 -1.712 7.272 -3.106 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.932 6.241 -0.858 1.00 10.21 H new ATOM 0 HB2 LEU B 148 -0.224 7.477 -1.387 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.642 6.866 0.201 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.668 5.165 -2.303 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.493 4.271 -1.479 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.605 6.008 -1.853 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.479 5.468 -0.162 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -0.624 3.300 -0.680 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -0.686 4.471 0.659 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -2.062 4.326 -0.460 1.00 53.12 H new ATOM 490 N TRP B 149 -2.477 9.463 -0.777 1.00 72.11 N ATOM 491 CA TRP B 149 -2.785 10.714 -0.091 1.00 73.33 C ATOM 492 C TRP B 149 -4.194 10.680 0.514 1.00 33.51 C ATOM 493 O TRP B 149 -4.374 10.937 1.710 1.00 12.44 O ATOM 494 CB TRP B 149 -2.688 11.860 -1.083 1.00 5.20 C ATOM 495 CG TRP B 149 -2.747 13.222 -0.461 1.00 21.45 C ATOM 496 CD1 TRP B 149 -1.772 13.825 0.274 1.00 14.14 C ATOM 497 CD2 TRP B 149 -3.829 14.157 -0.536 1.00 64.10 C ATOM 498 NE1 TRP B 149 -2.185 15.069 0.669 1.00 44.31 N ATOM 499 CE2 TRP B 149 -3.442 15.299 0.187 1.00 41.22 C ATOM 500 CE3 TRP B 149 -5.089 14.137 -1.139 1.00 50.34 C ATOM 501 CZ2 TRP B 149 -4.265 16.411 0.321 1.00 11.41 C ATOM 502 CZ3 TRP B 149 -5.903 15.242 -1.005 1.00 0.00 C ATOM 503 CH2 TRP B 149 -5.489 16.364 -0.280 1.00 21.30 C ATOM 0 H TRP B 149 -2.086 9.598 -1.709 1.00 72.11 H new ATOM 0 HA TRP B 149 -2.069 10.853 0.719 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -1.754 11.767 -1.637 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -3.498 11.768 -1.806 1.00 5.20 H new ATOM 0 HD1 TRP B 149 -0.814 13.386 0.511 1.00 14.14 H new ATOM 0 HE1 TRP B 149 -1.640 15.721 1.234 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -5.419 13.274 -1.698 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 -3.948 17.279 0.880 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -6.878 15.241 -1.469 1.00 0.00 H new ATOM 0 HH2 TRP B 149 -6.153 17.212 -0.194 1.00 21.30 H new ATOM 514 N ALA B 150 -5.164 10.311 -0.295 1.00 4.41 N ATOM 515 CA ALA B 150 -6.525 10.254 0.160 1.00 55.10 C ATOM 516 C ALA B 150 -6.815 8.911 0.827 1.00 74.03 C ATOM 517 O ALA B 150 -7.383 8.849 1.911 1.00 33.30 O ATOM 518 CB ALA B 150 -7.485 10.497 -0.994 1.00 15.21 C ATOM 0 H ALA B 150 -5.029 10.047 -1.271 1.00 4.41 H new ATOM 0 HA ALA B 150 -6.671 11.041 0.900 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -8.511 10.450 -0.630 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -7.297 11.481 -1.423 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -7.336 9.734 -1.758 1.00 15.21 H new ATOM 524 N LEU B 151 -6.363 7.841 0.193 1.00 70.43 N ATOM 525 CA LEU B 151 -6.634 6.470 0.650 1.00 60.43 C ATOM 526 C LEU B 151 -5.980 6.117 1.995 1.00 0.01 C ATOM 527 O LEU B 151 -6.404 5.191 2.687 1.00 1.42 O ATOM 528 CB LEU B 151 -6.233 5.478 -0.420 1.00 30.21 C ATOM 529 CG LEU B 151 -7.207 5.251 -1.602 1.00 35.52 C ATOM 530 CD1 LEU B 151 -8.504 4.612 -1.136 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.501 6.522 -2.391 1.00 54.11 C ATOM 0 H LEU B 151 -5.797 7.889 -0.654 1.00 70.43 H new ATOM 0 HA LEU B 151 -7.708 6.412 0.825 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -5.277 5.800 -0.832 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -6.064 4.516 0.063 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.696 4.566 -2.278 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -9.165 4.466 -1.990 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -8.289 3.648 -0.675 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -8.989 5.262 -0.408 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -8.189 6.294 -3.205 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -7.952 7.264 -1.731 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -6.572 6.918 -2.802 1.00 54.11 H new ATOM 543 N SER B 152 -4.980 6.859 2.367 1.00 60.31 N ATOM 544 CA SER B 152 -4.298 6.697 3.632 1.00 74.51 C ATOM 545 C SER B 152 -5.240 7.041 4.799 1.00 11.20 C ATOM 546 O SER B 152 -5.008 6.629 5.935 1.00 33.33 O ATOM 547 CB SER B 152 -2.995 7.519 3.652 1.00 21.44 C ATOM 548 OG SER B 152 -2.257 7.364 4.862 1.00 22.11 O ATOM 0 H SER B 152 -4.602 7.612 1.793 1.00 60.31 H new ATOM 0 HA SER B 152 -4.012 5.653 3.756 1.00 74.51 H new ATOM 0 HB2 SER B 152 -2.370 7.219 2.811 1.00 21.44 H new ATOM 0 HB3 SER B 152 -3.235 8.573 3.512 1.00 21.44 H new ATOM 0 HG SER B 152 -1.466 6.810 4.694 1.00 22.11 H new ATOM 554 N ASN B 153 -6.319 7.796 4.502 1.00 64.24 N ATOM 555 CA ASN B 153 -7.308 8.193 5.514 1.00 44.31 C ATOM 556 C ASN B 153 -7.953 6.949 6.104 1.00 64.55 C ATOM 557 O ASN B 153 -8.394 6.931 7.250 1.00 64.23 O ATOM 558 CB ASN B 153 -8.397 9.055 4.883 1.00 63.41 C ATOM 559 CG ASN B 153 -9.287 9.730 5.912 1.00 23.31 C ATOM 560 OD1 ASN B 153 -10.279 9.170 6.365 1.00 40.43 O ATOM 561 ND2 ASN B 153 -8.947 10.941 6.275 1.00 50.30 N ATOM 0 H ASN B 153 -6.523 8.142 3.564 1.00 64.24 H new ATOM 0 HA ASN B 153 -6.801 8.763 6.292 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -7.933 9.816 4.256 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -9.011 8.435 4.230 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -9.514 11.448 6.955 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -8.115 11.378 5.878 1.00 50.30 H new ATOM 568 N ILE B 154 -8.002 5.911 5.305 1.00 75.13 N ATOM 569 CA ILE B 154 -8.526 4.642 5.737 1.00 55.41 C ATOM 570 C ILE B 154 -7.497 3.967 6.650 1.00 43.23 C ATOM 571 O ILE B 154 -7.802 3.593 7.776 1.00 31.12 O ATOM 572 CB ILE B 154 -8.867 3.692 4.534 1.00 3.11 C ATOM 573 CG1 ILE B 154 -9.985 4.243 3.624 1.00 50.30 C ATOM 574 CG2 ILE B 154 -9.238 2.312 5.012 1.00 43.33 C ATOM 575 CD1 ILE B 154 -9.559 5.298 2.638 1.00 21.43 C ATOM 0 H ILE B 154 -7.679 5.924 4.337 1.00 75.13 H new ATOM 0 HA ILE B 154 -9.457 4.828 6.272 1.00 55.41 H new ATOM 0 HB ILE B 154 -7.956 3.636 3.937 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -10.423 3.411 3.072 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -10.772 4.657 4.255 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -9.468 1.680 4.155 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -8.404 1.882 5.566 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -10.111 2.374 5.662 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -10.420 5.615 2.050 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -9.151 6.154 3.175 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -8.797 4.889 1.974 1.00 21.43 H new ATOM 587 N ALA B 155 -6.265 3.902 6.167 1.00 10.31 N ATOM 588 CA ALA B 155 -5.146 3.253 6.861 1.00 14.12 C ATOM 589 C ALA B 155 -4.877 3.844 8.251 1.00 64.41 C ATOM 590 O ALA B 155 -4.426 3.134 9.140 1.00 71.04 O ATOM 591 CB ALA B 155 -3.895 3.314 5.994 1.00 41.11 C ATOM 0 H ALA B 155 -6.003 4.304 5.267 1.00 10.31 H new ATOM 0 HA ALA B 155 -5.427 2.213 7.024 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -3.068 2.831 6.514 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -4.080 2.800 5.051 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -3.640 4.355 5.796 1.00 41.11 H new ATOM 597 N SER B 156 -5.177 5.129 8.451 1.00 4.52 N ATOM 598 CA SER B 156 -4.996 5.744 9.762 1.00 54.22 C ATOM 599 C SER B 156 -5.974 5.186 10.817 1.00 33.11 C ATOM 600 O SER B 156 -5.863 5.488 12.012 1.00 31.14 O ATOM 601 CB SER B 156 -5.042 7.270 9.668 1.00 51.15 C ATOM 602 OG SER B 156 -6.120 7.712 8.850 1.00 71.21 O ATOM 0 H SER B 156 -5.541 5.754 7.732 1.00 4.52 H new ATOM 0 HA SER B 156 -4.000 5.473 10.111 1.00 54.22 H new ATOM 0 HB2 SER B 156 -5.145 7.694 10.667 1.00 51.15 H new ATOM 0 HB3 SER B 156 -4.101 7.639 9.261 1.00 51.15 H new ATOM 0 HG SER B 156 -6.122 8.691 8.812 1.00 71.21 H new ATOM 608 N GLY B 157 -6.926 4.386 10.371 1.00 64.35 N ATOM 609 CA GLY B 157 -7.797 3.690 11.267 1.00 65.32 C ATOM 610 C GLY B 157 -7.102 2.428 11.711 1.00 30.23 C ATOM 611 O GLY B 157 -7.402 1.328 11.227 1.00 41.22 O ATOM 0 H GLY B 157 -7.107 4.209 9.383 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -8.037 4.315 12.127 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -8.739 3.452 10.774 1.00 65.32 H new ATOM 615 N GLY B 158 -6.190 2.588 12.650 1.00 4.51 N ATOM 616 CA GLY B 158 -5.315 1.524 13.085 1.00 1.13 C ATOM 617 C GLY B 158 -5.952 0.481 13.987 1.00 32.24 C ATOM 618 O GLY B 158 -5.297 -0.035 14.881 1.00 23.13 O ATOM 0 H GLY B 158 -6.036 3.472 13.136 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -4.916 1.022 12.204 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -4.468 1.965 13.611 1.00 1.13 H new ATOM 622 N ASN B 159 -7.193 0.153 13.745 1.00 23.14 N ATOM 623 CA ASN B 159 -7.883 -0.872 14.506 1.00 4.32 C ATOM 624 C ASN B 159 -8.842 -1.630 13.599 1.00 43.12 C ATOM 625 O ASN B 159 -8.579 -2.777 13.226 1.00 73.44 O ATOM 626 CB ASN B 159 -8.631 -0.265 15.722 1.00 41.53 C ATOM 627 CG ASN B 159 -9.409 -1.291 16.544 1.00 73.54 C ATOM 628 OD1 ASN B 159 -9.037 -2.469 16.639 1.00 53.51 O ATOM 629 ND2 ASN B 159 -10.501 -0.863 17.130 1.00 13.35 N ATOM 0 H ASN B 159 -7.761 0.585 13.016 1.00 23.14 H new ATOM 0 HA ASN B 159 -7.142 -1.569 14.897 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -7.909 0.233 16.369 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -9.321 0.500 15.367 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -11.069 -1.506 17.682 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -10.782 0.113 17.034 1.00 13.35 H new ATOM 636 N GLU B 160 -9.893 -0.951 13.183 1.00 61.13 N ATOM 637 CA GLU B 160 -10.949 -1.538 12.378 1.00 44.33 C ATOM 638 C GLU B 160 -10.497 -1.606 10.924 1.00 21.45 C ATOM 639 O GLU B 160 -10.416 -2.676 10.345 1.00 55.12 O ATOM 640 CB GLU B 160 -12.238 -0.692 12.553 1.00 21.44 C ATOM 641 CG GLU B 160 -13.564 -1.354 12.134 1.00 75.15 C ATOM 642 CD GLU B 160 -13.774 -1.489 10.646 1.00 34.45 C ATOM 643 OE1 GLU B 160 -14.326 -0.556 10.026 1.00 5.33 O ATOM 644 OE2 GLU B 160 -13.452 -2.544 10.077 1.00 51.14 O1- ATOM 0 H GLU B 160 -10.040 0.035 13.396 1.00 61.13 H new ATOM 0 HA GLU B 160 -11.166 -2.556 12.701 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -12.317 -0.406 13.602 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -12.121 0.228 11.980 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -13.614 -2.346 12.583 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -14.388 -0.774 12.550 1.00 75.15 H new ATOM 651 N GLN B 161 -10.121 -0.471 10.365 1.00 55.22 N ATOM 652 CA GLN B 161 -9.684 -0.407 8.965 1.00 4.24 C ATOM 653 C GLN B 161 -8.370 -1.168 8.747 1.00 2.21 C ATOM 654 O GLN B 161 -8.049 -1.582 7.639 1.00 4.14 O ATOM 655 CB GLN B 161 -9.509 1.044 8.492 1.00 73.31 C ATOM 656 CG GLN B 161 -10.789 1.880 8.353 1.00 74.15 C ATOM 657 CD GLN B 161 -11.489 2.203 9.656 1.00 63.34 C ATOM 658 OE1 GLN B 161 -10.871 2.328 10.710 1.00 30.32 O ATOM 659 NE2 GLN B 161 -12.772 2.364 9.592 1.00 71.32 N ATOM 0 H GLN B 161 -10.106 0.425 10.852 1.00 55.22 H new ATOM 0 HA GLN B 161 -10.470 -0.880 8.377 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -8.844 1.552 9.190 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -9.005 1.029 7.526 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -10.541 2.815 7.850 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -11.485 1.345 7.707 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -13.256 2.253 8.701 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -13.299 2.602 10.433 1.00 71.32 H new ATOM 668 N LYS B 162 -7.642 -1.367 9.812 1.00 0.01 N ATOM 669 CA LYS B 162 -6.354 -2.012 9.755 1.00 53.04 C ATOM 670 C LYS B 162 -6.462 -3.554 9.653 1.00 54.42 C ATOM 671 O LYS B 162 -5.533 -4.215 9.210 1.00 41.24 O ATOM 672 CB LYS B 162 -5.482 -1.549 10.935 1.00 52.24 C ATOM 673 CG LYS B 162 -4.048 -2.022 10.894 1.00 72.31 C ATOM 674 CD LYS B 162 -3.260 -1.518 12.098 1.00 53.42 C ATOM 675 CE LYS B 162 -3.533 -2.297 13.386 1.00 52.21 C ATOM 676 NZ LYS B 162 -3.120 -3.712 13.292 1.00 22.01 N1+ ATOM 0 H LYS B 162 -7.926 -1.085 10.750 1.00 0.01 H new ATOM 0 HA LYS B 162 -5.861 -1.704 8.833 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -5.489 -0.459 10.966 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -5.937 -1.897 11.862 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -4.023 -3.111 10.872 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -3.575 -1.674 9.976 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -2.195 -1.571 11.871 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -3.499 -0.467 12.263 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -3.004 -1.822 14.212 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -4.597 -2.247 13.618 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -2.776 -4.036 14.219 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -3.933 -4.292 13.002 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -2.359 -3.806 12.589 1.00 22.01 H new ATOM 690 N GLN B 163 -7.597 -4.124 10.039 1.00 45.04 N ATOM 691 CA GLN B 163 -7.767 -5.593 9.973 1.00 54.43 C ATOM 692 C GLN B 163 -8.146 -5.998 8.535 1.00 43.34 C ATOM 693 O GLN B 163 -7.927 -7.135 8.096 1.00 51.54 O ATOM 694 CB GLN B 163 -8.885 -6.038 10.922 1.00 0.44 C ATOM 695 CG GLN B 163 -10.257 -5.643 10.419 1.00 12.45 C ATOM 696 CD GLN B 163 -11.393 -5.894 11.392 1.00 32.52 C ATOM 697 OE1 GLN B 163 -11.136 -5.774 12.668 1.00 71.21 O flip ATOM 698 NE2 GLN B 163 -12.521 -6.163 10.971 1.00 35.45 N flip ATOM 0 H GLN B 163 -8.406 -3.615 10.396 1.00 45.04 H new ATOM 0 HA GLN B 163 -6.832 -6.070 10.266 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -8.844 -7.120 11.046 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -8.720 -5.598 11.905 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -10.243 -4.583 10.166 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -10.461 -6.188 9.498 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -12.684 -6.249 9.968 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -13.291 -6.300 11.626 1.00 35.45 H new ATOM 707 N ALA B 164 -8.690 -5.031 7.826 1.00 52.32 N ATOM 708 CA ALA B 164 -9.223 -5.174 6.481 1.00 30.11 C ATOM 709 C ALA B 164 -8.180 -5.648 5.524 1.00 13.35 C ATOM 710 O ALA B 164 -8.385 -6.570 4.742 1.00 74.41 O ATOM 711 CB ALA B 164 -9.617 -3.817 6.033 1.00 12.31 C ATOM 0 H ALA B 164 -8.778 -4.080 8.185 1.00 52.32 H new ATOM 0 HA ALA B 164 -10.045 -5.890 6.500 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -10.025 -3.871 5.024 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -10.372 -3.416 6.709 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.744 -3.165 6.037 1.00 12.31 H new ATOM 717 N VAL B 165 -7.058 -5.019 5.644 1.00 3.02 N ATOM 718 CA VAL B 165 -5.945 -5.116 4.731 1.00 13.21 C ATOM 719 C VAL B 165 -5.465 -6.570 4.531 1.00 2.43 C ATOM 720 O VAL B 165 -5.096 -6.962 3.427 1.00 61.00 O ATOM 721 CB VAL B 165 -4.783 -4.207 5.240 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.323 -2.864 5.611 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.199 -4.752 6.464 1.00 41.10 C ATOM 0 H VAL B 165 -6.873 -4.386 6.422 1.00 3.02 H new ATOM 0 HA VAL B 165 -6.280 -4.772 3.753 1.00 13.21 H new ATOM 0 HB VAL B 165 -4.042 -4.148 4.443 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -4.510 -2.231 5.966 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -5.786 -2.404 4.738 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -6.067 -2.976 6.400 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.391 -4.103 6.802 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -4.965 -4.811 7.238 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.805 -5.749 6.267 1.00 41.10 H new ATOM 733 N LYS B 166 -5.563 -7.379 5.577 1.00 72.33 N ATOM 734 CA LYS B 166 -5.066 -8.734 5.525 1.00 62.53 C ATOM 735 C LYS B 166 -5.990 -9.612 4.675 1.00 61.12 C ATOM 736 O LYS B 166 -5.534 -10.519 3.979 1.00 13.14 O ATOM 737 CB LYS B 166 -4.901 -9.346 6.931 1.00 64.02 C ATOM 738 CG LYS B 166 -3.966 -8.605 7.914 1.00 21.20 C ATOM 739 CD LYS B 166 -4.622 -7.390 8.581 1.00 51.32 C ATOM 740 CE LYS B 166 -3.927 -7.049 9.900 1.00 50.03 C ATOM 741 NZ LYS B 166 -4.030 -8.160 10.890 1.00 65.44 N1+ ATOM 0 H LYS B 166 -5.983 -7.115 6.468 1.00 72.33 H new ATOM 0 HA LYS B 166 -4.079 -8.697 5.064 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -5.888 -9.414 7.389 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -4.532 -10.365 6.816 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -3.638 -9.301 8.686 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.074 -8.279 7.379 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -4.576 -6.533 7.909 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -5.677 -7.596 8.764 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -2.876 -6.829 9.710 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -4.370 -6.146 10.321 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -3.998 -7.770 11.854 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -4.928 -8.667 10.751 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -3.236 -8.819 10.756 1.00 65.44 H new ATOM 755 N GLU B 167 -7.274 -9.303 4.708 1.00 75.44 N ATOM 756 CA GLU B 167 -8.265 -9.996 3.998 1.00 33.13 C ATOM 757 C GLU B 167 -8.356 -9.431 2.571 1.00 4.33 C ATOM 758 O GLU B 167 -8.636 -10.154 1.605 1.00 61.22 O ATOM 759 CB GLU B 167 -9.557 -9.810 4.773 1.00 35.41 C ATOM 760 CG GLU B 167 -10.748 -10.280 4.062 1.00 14.32 C ATOM 761 CD GLU B 167 -12.003 -10.185 4.889 1.00 71.10 C ATOM 762 OE1 GLU B 167 -12.673 -9.133 4.875 1.00 51.30 O1- ATOM 763 OE2 GLU B 167 -12.344 -11.154 5.592 1.00 34.35 O ATOM 0 H GLU B 167 -7.641 -8.528 5.260 1.00 75.44 H new ATOM 0 HA GLU B 167 -8.045 -11.059 3.902 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.479 -10.340 5.722 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -9.680 -8.753 5.008 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -10.875 -9.695 3.151 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -10.598 -11.316 3.758 1.00 14.32 H new ATOM 770 N ALA B 168 -8.082 -8.139 2.454 1.00 51.34 N ATOM 771 CA ALA B 168 -8.089 -7.441 1.177 1.00 12.43 C ATOM 772 C ALA B 168 -6.975 -7.960 0.267 1.00 34.44 C ATOM 773 O ALA B 168 -7.079 -7.892 -0.956 1.00 25.22 O ATOM 774 CB ALA B 168 -7.943 -5.947 1.402 1.00 40.11 C ATOM 0 H ALA B 168 -7.847 -7.543 3.248 1.00 51.34 H new ATOM 0 HA ALA B 168 -9.042 -7.631 0.682 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.949 -5.432 0.441 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.772 -5.588 2.011 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -7.002 -5.747 1.915 1.00 40.11 H new ATOM 780 N GLY B 169 -5.926 -8.478 0.876 1.00 34.33 N ATOM 781 CA GLY B 169 -4.846 -9.052 0.120 1.00 34.02 C ATOM 782 C GLY B 169 -3.619 -8.176 0.104 1.00 4.54 C ATOM 783 O GLY B 169 -2.861 -8.193 -0.862 1.00 31.44 O ATOM 0 H GLY B 169 -5.805 -8.510 1.888 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -4.589 -10.024 0.542 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -5.177 -9.226 -0.904 1.00 34.02 H new ATOM 787 N ALA B 170 -3.394 -7.443 1.197 1.00 35.41 N ATOM 788 CA ALA B 170 -2.291 -6.486 1.305 1.00 34.41 C ATOM 789 C ALA B 170 -0.934 -7.120 1.095 1.00 73.04 C ATOM 790 O ALA B 170 -0.043 -6.479 0.559 1.00 1.24 O ATOM 791 CB ALA B 170 -2.330 -5.750 2.628 1.00 13.24 C ATOM 0 H ALA B 170 -3.974 -7.497 2.035 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.435 -5.769 0.497 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.499 -5.047 2.678 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.271 -5.206 2.714 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -2.249 -6.466 3.445 1.00 13.24 H new ATOM 797 N LEU B 171 -0.792 -8.376 1.486 1.00 61.22 N ATOM 798 CA LEU B 171 0.464 -9.097 1.315 1.00 71.22 C ATOM 799 C LEU B 171 0.831 -9.180 -0.166 1.00 54.15 C ATOM 800 O LEU B 171 1.960 -8.890 -0.555 1.00 23.24 O ATOM 801 CB LEU B 171 0.357 -10.495 1.914 1.00 35.44 C ATOM 802 CG LEU B 171 0.052 -10.557 3.412 1.00 71.12 C ATOM 803 CD1 LEU B 171 -0.086 -11.988 3.854 1.00 70.51 C ATOM 804 CD2 LEU B 171 1.133 -9.866 4.216 1.00 11.20 C ATOM 0 H LEU B 171 -1.533 -8.921 1.926 1.00 61.22 H new ATOM 0 HA LEU B 171 1.251 -8.554 1.838 1.00 71.22 H new ATOM 0 HB2 LEU B 171 -0.423 -11.039 1.381 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.294 -11.021 1.731 1.00 35.44 H new ATOM 0 HG LEU B 171 -0.889 -10.036 3.589 1.00 71.12 H new ATOM 0 HD11 LEU B 171 -0.303 -12.020 4.922 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -0.899 -12.462 3.304 1.00 70.51 H new ATOM 0 HD13 LEU B 171 0.844 -12.521 3.657 1.00 70.51 H new ATOM 0 HD21 LEU B 171 0.891 -9.925 5.277 1.00 11.20 H new ATOM 0 HD22 LEU B 171 2.090 -10.355 4.034 1.00 11.20 H new ATOM 0 HD23 LEU B 171 1.197 -8.820 3.916 1.00 11.20 H new ATOM 816 N GLU B 172 -0.158 -9.506 -0.978 1.00 61.41 N ATOM 817 CA GLU B 172 -0.005 -9.617 -2.415 1.00 12.34 C ATOM 818 C GLU B 172 0.284 -8.258 -3.040 1.00 12.03 C ATOM 819 O GLU B 172 1.102 -8.135 -3.958 1.00 11.21 O ATOM 820 CB GLU B 172 -1.284 -10.189 -3.009 1.00 22.42 C ATOM 821 CG GLU B 172 -1.319 -10.183 -4.515 1.00 4.33 C ATOM 822 CD GLU B 172 -2.572 -10.770 -5.056 1.00 14.33 C ATOM 823 OE1 GLU B 172 -2.619 -11.987 -5.248 1.00 71.05 O1- ATOM 824 OE2 GLU B 172 -3.543 -10.031 -5.308 1.00 61.51 O ATOM 0 H GLU B 172 -1.104 -9.704 -0.652 1.00 61.41 H new ATOM 0 HA GLU B 172 0.836 -10.276 -2.627 1.00 12.34 H new ATOM 0 HB2 GLU B 172 -1.409 -11.213 -2.657 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -2.133 -9.618 -2.634 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -1.217 -9.159 -4.874 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -0.465 -10.742 -4.898 1.00 4.33 H new ATOM 831 N LYS B 173 -0.390 -7.248 -2.537 1.00 75.52 N ATOM 832 CA LYS B 173 -0.270 -5.901 -3.032 1.00 52.14 C ATOM 833 C LYS B 173 1.139 -5.400 -2.772 1.00 13.42 C ATOM 834 O LYS B 173 1.778 -4.798 -3.641 1.00 22.05 O ATOM 835 CB LYS B 173 -1.288 -5.023 -2.306 1.00 52.11 C ATOM 836 CG LYS B 173 -2.699 -5.595 -2.306 1.00 23.24 C ATOM 837 CD LYS B 173 -3.318 -5.658 -3.681 1.00 32.34 C ATOM 838 CE LYS B 173 -4.462 -6.638 -3.720 1.00 65.44 C ATOM 839 NZ LYS B 173 -5.020 -6.805 -5.074 1.00 43.00 N1+ ATOM 0 H LYS B 173 -1.046 -7.344 -1.761 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.463 -5.868 -4.104 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -0.963 -4.881 -1.275 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -1.304 -4.038 -2.773 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.677 -6.598 -1.879 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -3.330 -4.986 -1.659 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.674 -4.668 -3.968 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -2.562 -5.949 -4.410 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -4.120 -7.605 -3.350 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -5.249 -6.299 -3.046 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -5.590 -7.674 -5.110 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -5.620 -5.988 -5.305 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -4.244 -6.871 -5.763 1.00 43.00 H new ATOM 853 N LEU B 174 1.619 -5.723 -1.587 1.00 32.33 N ATOM 854 CA LEU B 174 2.932 -5.364 -1.132 1.00 44.15 C ATOM 855 C LEU B 174 3.997 -5.973 -2.056 1.00 4.04 C ATOM 856 O LEU B 174 4.914 -5.269 -2.471 1.00 43.44 O ATOM 857 CB LEU B 174 3.076 -5.806 0.359 1.00 22.15 C ATOM 858 CG LEU B 174 4.342 -5.411 1.157 1.00 32.13 C ATOM 859 CD1 LEU B 174 5.540 -6.268 0.799 1.00 13.11 C ATOM 860 CD2 LEU B 174 4.659 -3.933 0.973 1.00 43.15 C ATOM 0 H LEU B 174 1.085 -6.257 -0.901 1.00 32.33 H new ATOM 0 HA LEU B 174 3.082 -4.285 -1.174 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.215 -5.414 0.900 1.00 22.15 H new ATOM 0 HB3 LEU B 174 3.001 -6.893 0.385 1.00 22.15 H new ATOM 0 HG LEU B 174 4.124 -5.592 2.210 1.00 32.13 H new ATOM 0 HD11 LEU B 174 6.402 -5.951 1.386 1.00 13.11 H new ATOM 0 HD12 LEU B 174 5.318 -7.313 1.016 1.00 13.11 H new ATOM 0 HD13 LEU B 174 5.763 -6.157 -0.262 1.00 13.11 H new ATOM 0 HD21 LEU B 174 5.553 -3.679 1.543 1.00 43.15 H new ATOM 0 HD22 LEU B 174 4.832 -3.727 -0.083 1.00 43.15 H new ATOM 0 HD23 LEU B 174 3.820 -3.334 1.327 1.00 43.15 H new ATOM 872 N GLU B 175 3.819 -7.257 -2.435 1.00 64.22 N ATOM 873 CA GLU B 175 4.718 -7.965 -3.287 1.00 34.22 C ATOM 874 C GLU B 175 4.964 -7.241 -4.605 1.00 30.54 C ATOM 875 O GLU B 175 6.085 -7.195 -5.096 1.00 40.22 O ATOM 876 CB GLU B 175 4.124 -9.301 -3.610 1.00 31.20 C ATOM 877 CG GLU B 175 4.047 -10.304 -2.491 1.00 63.55 C ATOM 878 CD GLU B 175 3.545 -11.624 -3.009 1.00 72.13 C ATOM 879 OE1 GLU B 175 4.351 -12.400 -3.562 1.00 12.05 O1- ATOM 880 OE2 GLU B 175 2.335 -11.903 -2.921 1.00 5.21 O ATOM 0 H GLU B 175 3.020 -7.816 -2.135 1.00 64.22 H new ATOM 0 HA GLU B 175 5.667 -8.052 -2.757 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.115 -9.140 -3.990 1.00 31.20 H new ATOM 0 HB3 GLU B 175 4.704 -9.742 -4.421 1.00 31.20 H new ATOM 0 HG2 GLU B 175 5.031 -10.433 -2.040 1.00 63.55 H new ATOM 0 HG3 GLU B 175 3.383 -9.936 -1.708 1.00 63.55 H new ATOM 887 N GLN B 176 3.912 -6.679 -5.165 1.00 53.05 N ATOM 888 CA GLN B 176 3.972 -6.033 -6.463 1.00 51.12 C ATOM 889 C GLN B 176 4.778 -4.761 -6.384 1.00 15.23 C ATOM 890 O GLN B 176 5.671 -4.504 -7.207 1.00 25.45 O ATOM 891 CB GLN B 176 2.573 -5.691 -6.918 1.00 22.05 C ATOM 892 CG GLN B 176 1.602 -6.836 -6.806 1.00 3.54 C ATOM 893 CD GLN B 176 1.994 -8.059 -7.610 1.00 35.11 C ATOM 894 OE1 GLN B 176 2.623 -7.969 -8.675 1.00 25.33 O ATOM 895 NE2 GLN B 176 1.667 -9.206 -7.091 1.00 12.14 N ATOM 0 H GLN B 176 2.988 -6.657 -4.733 1.00 53.05 H new ATOM 0 HA GLN B 176 4.445 -6.716 -7.169 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.203 -4.854 -6.327 1.00 22.05 H new ATOM 0 HB3 GLN B 176 2.609 -5.357 -7.955 1.00 22.05 H new ATOM 0 HG2 GLN B 176 1.509 -7.118 -5.757 1.00 3.54 H new ATOM 0 HG3 GLN B 176 0.619 -6.498 -7.134 1.00 3.54 H new ATOM 0 HE21 GLN B 176 1.149 -9.239 -6.213 1.00 12.14 H new ATOM 0 HE22 GLN B 176 1.928 -10.072 -7.562 1.00 12.14 H new ATOM 904 N LEU B 177 4.475 -3.978 -5.384 1.00 55.23 N ATOM 905 CA LEU B 177 5.118 -2.691 -5.188 1.00 50.03 C ATOM 906 C LEU B 177 6.569 -2.848 -4.741 1.00 2.24 C ATOM 907 O LEU B 177 7.372 -1.923 -4.845 1.00 11.31 O ATOM 908 CB LEU B 177 4.332 -1.871 -4.197 1.00 4.33 C ATOM 909 CG LEU B 177 4.734 -0.419 -4.078 1.00 13.40 C ATOM 910 CD1 LEU B 177 4.449 0.312 -5.388 1.00 11.02 C ATOM 911 CD2 LEU B 177 4.024 0.235 -2.916 1.00 54.44 C ATOM 0 H LEU B 177 3.776 -4.207 -4.678 1.00 55.23 H new ATOM 0 HA LEU B 177 5.134 -2.169 -6.145 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.278 -1.915 -4.472 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.425 -2.336 -3.215 1.00 4.33 H new ATOM 0 HG LEU B 177 5.805 -0.362 -3.884 1.00 13.40 H new ATOM 0 HD11 LEU B 177 4.742 1.358 -5.292 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.017 -0.152 -6.194 1.00 11.02 H new ATOM 0 HD13 LEU B 177 3.384 0.253 -5.614 1.00 11.02 H new ATOM 0 HD21 LEU B 177 4.326 1.280 -2.846 1.00 54.44 H new ATOM 0 HD22 LEU B 177 2.946 0.178 -3.070 1.00 54.44 H new ATOM 0 HD23 LEU B 177 4.286 -0.281 -1.992 1.00 54.44 H new ATOM 923 N GLN B 178 6.889 -4.013 -4.246 1.00 31.43 N ATOM 924 CA GLN B 178 8.278 -4.362 -3.881 1.00 34.22 C ATOM 925 C GLN B 178 9.244 -4.216 -5.075 1.00 43.53 C ATOM 926 O GLN B 178 10.420 -3.940 -4.889 1.00 33.40 O ATOM 927 CB GLN B 178 8.387 -5.778 -3.311 1.00 22.20 C ATOM 928 CG GLN B 178 7.852 -5.931 -1.905 1.00 63.12 C ATOM 929 CD GLN B 178 8.674 -5.175 -0.878 1.00 52.34 C ATOM 930 OE1 GLN B 178 8.419 -4.003 -0.580 1.00 3.53 O ATOM 931 NE2 GLN B 178 9.657 -5.832 -0.326 1.00 12.22 N ATOM 0 H GLN B 178 6.214 -4.759 -4.077 1.00 31.43 H new ATOM 0 HA GLN B 178 8.568 -3.652 -3.106 1.00 34.22 H new ATOM 0 HB2 GLN B 178 7.849 -6.463 -3.967 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.434 -6.081 -3.323 1.00 22.20 H new ATOM 0 HG2 GLN B 178 6.822 -5.576 -1.872 1.00 63.12 H new ATOM 0 HG3 GLN B 178 7.833 -6.988 -1.641 1.00 63.12 H new ATOM 0 HE21 GLN B 178 9.839 -6.799 -0.596 1.00 12.22 H new ATOM 0 HE22 GLN B 178 10.243 -5.379 0.375 1.00 12.22 H new ATOM 940 N SER B 179 8.730 -4.341 -6.290 1.00 11.02 N ATOM 941 CA SER B 179 9.542 -4.226 -7.505 1.00 25.41 C ATOM 942 C SER B 179 9.708 -2.756 -7.941 1.00 10.24 C ATOM 943 O SER B 179 10.076 -2.463 -9.079 1.00 40.01 O ATOM 944 CB SER B 179 8.907 -5.057 -8.613 1.00 32.12 C ATOM 945 OG SER B 179 8.809 -6.416 -8.209 1.00 64.32 O ATOM 0 H SER B 179 7.742 -4.524 -6.467 1.00 11.02 H new ATOM 0 HA SER B 179 10.541 -4.607 -7.295 1.00 25.41 H new ATOM 0 HB2 SER B 179 7.917 -4.667 -8.849 1.00 32.12 H new ATOM 0 HB3 SER B 179 9.504 -4.982 -9.522 1.00 32.12 H new ATOM 0 HG SER B 179 8.398 -6.942 -8.927 1.00 64.32 H new ATOM 951 N HIS B 180 9.447 -1.862 -7.011 1.00 24.01 N ATOM 952 CA HIS B 180 9.573 -0.415 -7.194 1.00 14.12 C ATOM 953 C HIS B 180 11.003 0.003 -7.567 1.00 13.51 C ATOM 954 O HIS B 180 11.976 -0.701 -7.267 1.00 60.24 O ATOM 955 CB HIS B 180 9.181 0.317 -5.897 1.00 1.42 C ATOM 956 CG HIS B 180 10.117 0.075 -4.724 1.00 74.51 C ATOM 957 ND1 HIS B 180 11.007 1.012 -4.265 1.00 63.40 N ATOM 958 CD2 HIS B 180 10.303 -1.007 -3.947 1.00 44.44 C ATOM 959 CE1 HIS B 180 11.699 0.514 -3.274 1.00 71.54 C ATOM 960 NE2 HIS B 180 11.290 -0.702 -3.062 1.00 34.33 N ATOM 0 H HIS B 180 9.131 -2.120 -6.076 1.00 24.01 H new ATOM 0 HA HIS B 180 8.906 -0.143 -8.012 1.00 14.12 H new ATOM 0 HB2 HIS B 180 9.141 1.388 -6.098 1.00 1.42 H new ATOM 0 HB3 HIS B 180 8.175 0.009 -5.611 1.00 1.42 H new ATOM 0 HD1 HIS B 180 11.113 1.955 -4.640 1.00 63.40 H new ATOM 0 HD2 HIS B 180 9.769 -1.943 -4.013 1.00 44.44 H new ATOM 0 HE1 HIS B 180 12.477 1.025 -2.726 1.00 71.54 H new ATOM 969 N GLU B 181 11.113 1.163 -8.145 1.00 2.23 N ATOM 970 CA GLU B 181 12.381 1.739 -8.509 1.00 3.54 C ATOM 971 C GLU B 181 12.666 2.937 -7.615 1.00 21.45 C ATOM 972 O GLU B 181 13.809 3.217 -7.265 1.00 41.00 O ATOM 973 CB GLU B 181 12.375 2.153 -9.974 1.00 22.41 C ATOM 974 CG GLU B 181 12.234 0.984 -10.930 1.00 21.45 C ATOM 975 CD GLU B 181 12.157 1.412 -12.364 1.00 4.11 C ATOM 976 OE1 GLU B 181 13.215 1.770 -12.957 1.00 34.25 O1- ATOM 977 OE2 GLU B 181 11.048 1.383 -12.947 1.00 21.44 O ATOM 0 H GLU B 181 10.312 1.748 -8.382 1.00 2.23 H new ATOM 0 HA GLU B 181 13.167 0.996 -8.372 1.00 3.54 H new ATOM 0 HB2 GLU B 181 11.556 2.852 -10.143 1.00 22.41 H new ATOM 0 HB3 GLU B 181 13.299 2.686 -10.197 1.00 22.41 H new ATOM 0 HG2 GLU B 181 13.082 0.311 -10.802 1.00 21.45 H new ATOM 0 HG3 GLU B 181 11.337 0.419 -10.676 1.00 21.45 H new ATOM 984 N ASN B 182 11.619 3.627 -7.227 1.00 1.10 N ATOM 985 CA ASN B 182 11.738 4.780 -6.351 1.00 51.53 C ATOM 986 C ASN B 182 11.881 4.404 -4.957 1.00 31.02 C ATOM 987 O ASN B 182 11.096 3.662 -4.380 1.00 72.11 O ATOM 988 CB ASN B 182 10.611 5.791 -6.527 1.00 70.24 C ATOM 989 CG ASN B 182 10.808 6.723 -7.702 1.00 71.13 C ATOM 990 OD1 ASN B 182 10.370 6.449 -8.804 1.00 53.24 O ATOM 991 ND2 ASN B 182 11.492 7.818 -7.481 1.00 41.44 N ATOM 0 H ASN B 182 10.662 3.410 -7.506 1.00 1.10 H new ATOM 0 HA ASN B 182 12.658 5.276 -6.660 1.00 51.53 H new ATOM 0 HB2 ASN B 182 9.670 5.255 -6.654 1.00 70.24 H new ATOM 0 HB3 ASN B 182 10.520 6.383 -5.616 1.00 70.24 H new ATOM 0 HD21 ASN B 182 11.671 8.470 -8.244 1.00 41.44 H new ATOM 0 HD22 ASN B 182 11.845 8.018 -6.545 1.00 41.44 H new ATOM 998 N GLU B 183 12.912 4.921 -4.453 1.00 21.41 N ATOM 999 CA GLU B 183 13.323 4.882 -3.127 1.00 75.53 C ATOM 1000 C GLU B 183 12.196 5.370 -2.188 1.00 53.13 C ATOM 1001 O GLU B 183 11.928 4.759 -1.157 1.00 62.23 O ATOM 1002 CB GLU B 183 14.575 5.760 -3.041 1.00 4.41 C ATOM 1003 CG GLU B 183 14.415 7.259 -3.431 1.00 71.12 C ATOM 1004 CD GLU B 183 13.999 7.499 -4.864 1.00 70.35 C ATOM 1005 OE1 GLU B 183 14.758 7.174 -5.784 1.00 10.34 O1- ATOM 1006 OE2 GLU B 183 12.848 7.926 -5.087 1.00 74.32 O ATOM 0 H GLU B 183 13.568 5.446 -5.031 1.00 21.41 H new ATOM 0 HA GLU B 183 13.553 3.866 -2.804 1.00 75.53 H new ATOM 0 HB2 GLU B 183 14.951 5.714 -2.019 1.00 4.41 H new ATOM 0 HB3 GLU B 183 15.340 5.323 -3.682 1.00 4.41 H new ATOM 0 HG2 GLU B 183 13.676 7.715 -2.772 1.00 71.12 H new ATOM 0 HG3 GLU B 183 15.361 7.770 -3.251 1.00 71.12 H new ATOM 1013 N LYS B 184 11.505 6.433 -2.606 1.00 31.52 N ATOM 1014 CA LYS B 184 10.366 7.007 -1.877 1.00 55.01 C ATOM 1015 C LYS B 184 9.282 5.959 -1.667 1.00 72.22 C ATOM 1016 O LYS B 184 8.668 5.872 -0.604 1.00 13.24 O ATOM 1017 CB LYS B 184 9.792 8.159 -2.690 1.00 13.15 C ATOM 1018 CG LYS B 184 10.747 9.327 -2.867 1.00 23.11 C ATOM 1019 CD LYS B 184 10.283 10.286 -3.958 1.00 51.20 C ATOM 1020 CE LYS B 184 8.897 10.848 -3.705 1.00 41.21 C ATOM 1021 NZ LYS B 184 8.482 11.757 -4.790 1.00 13.42 N1+ ATOM 0 H LYS B 184 11.722 6.928 -3.471 1.00 31.52 H new ATOM 0 HA LYS B 184 10.708 7.359 -0.904 1.00 55.01 H new ATOM 0 HB2 LYS B 184 9.503 7.788 -3.673 1.00 13.15 H new ATOM 0 HB3 LYS B 184 8.884 8.516 -2.204 1.00 13.15 H new ATOM 0 HG2 LYS B 184 10.837 9.867 -1.924 1.00 23.11 H new ATOM 0 HG3 LYS B 184 11.739 8.949 -3.114 1.00 23.11 H new ATOM 0 HD2 LYS B 184 10.994 11.109 -4.037 1.00 51.20 H new ATOM 0 HD3 LYS B 184 10.289 9.767 -4.916 1.00 51.20 H new ATOM 0 HE2 LYS B 184 8.181 10.031 -3.618 1.00 41.21 H new ATOM 0 HE3 LYS B 184 8.887 11.383 -2.755 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 7.530 12.126 -4.589 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 9.153 12.549 -4.855 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 8.469 11.239 -5.691 1.00 13.42 H new ATOM 1035 N ILE B 185 9.115 5.122 -2.671 1.00 60.21 N ATOM 1036 CA ILE B 185 8.096 4.096 -2.692 1.00 75.21 C ATOM 1037 C ILE B 185 8.335 3.040 -1.604 1.00 0.43 C ATOM 1038 O ILE B 185 7.402 2.425 -1.135 1.00 60.43 O ATOM 1039 CB ILE B 185 8.040 3.423 -4.081 1.00 72.20 C ATOM 1040 CG1 ILE B 185 7.681 4.451 -5.131 1.00 53.13 C ATOM 1041 CG2 ILE B 185 7.039 2.272 -4.117 1.00 64.03 C ATOM 1042 CD1 ILE B 185 6.349 5.107 -4.905 1.00 52.31 C ATOM 0 H ILE B 185 9.695 5.137 -3.510 1.00 60.21 H new ATOM 0 HA ILE B 185 7.139 4.577 -2.488 1.00 75.21 H new ATOM 0 HB ILE B 185 9.026 3.008 -4.290 1.00 72.20 H new ATOM 0 HG12 ILE B 185 8.455 5.219 -5.154 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.678 3.972 -6.110 1.00 53.13 H new ATOM 0 HG21 ILE B 185 7.032 1.827 -5.112 1.00 64.03 H new ATOM 0 HG22 ILE B 185 7.326 1.518 -3.384 1.00 64.03 H new ATOM 0 HG23 ILE B 185 6.044 2.648 -3.880 1.00 64.03 H new ATOM 0 HD11 ILE B 185 6.161 5.831 -5.698 1.00 52.31 H new ATOM 0 HD12 ILE B 185 5.565 4.350 -4.912 1.00 52.31 H new ATOM 0 HD13 ILE B 185 6.353 5.616 -3.941 1.00 52.31 H new ATOM 1054 N GLN B 186 9.589 2.856 -1.190 1.00 51.04 N ATOM 1055 CA GLN B 186 9.906 1.903 -0.146 1.00 13.34 C ATOM 1056 C GLN B 186 9.160 2.316 1.127 1.00 43.21 C ATOM 1057 O GLN B 186 8.513 1.499 1.774 1.00 14.42 O ATOM 1058 CB GLN B 186 11.420 1.895 0.093 1.00 3.31 C ATOM 1059 CG GLN B 186 11.992 0.525 0.390 1.00 30.13 C ATOM 1060 CD GLN B 186 11.504 -0.090 1.692 1.00 33.34 C ATOM 1061 OE1 GLN B 186 11.210 0.610 2.651 1.00 41.14 O ATOM 1062 NE2 GLN B 186 11.408 -1.388 1.734 1.00 12.44 N ATOM 0 H GLN B 186 10.394 3.357 -1.565 1.00 51.04 H new ATOM 0 HA GLN B 186 9.599 0.898 -0.436 1.00 13.34 H new ATOM 0 HB2 GLN B 186 11.918 2.302 -0.787 1.00 3.31 H new ATOM 0 HB3 GLN B 186 11.649 2.561 0.925 1.00 3.31 H new ATOM 0 HG2 GLN B 186 11.741 -0.146 -0.431 1.00 30.13 H new ATOM 0 HG3 GLN B 186 13.079 0.597 0.421 1.00 30.13 H new ATOM 0 HE21 GLN B 186 11.661 -1.945 0.918 1.00 12.44 H new ATOM 0 HE22 GLN B 186 11.080 -1.848 2.583 1.00 12.44 H new ATOM 1071 N LYS B 187 9.191 3.606 1.408 1.00 22.52 N ATOM 1072 CA LYS B 187 8.532 4.167 2.559 1.00 74.33 C ATOM 1073 C LYS B 187 7.004 4.100 2.343 1.00 72.42 C ATOM 1074 O LYS B 187 6.253 3.831 3.273 1.00 44.24 O ATOM 1075 CB LYS B 187 9.050 5.616 2.771 1.00 51.52 C ATOM 1076 CG LYS B 187 8.771 6.268 4.148 1.00 61.53 C ATOM 1077 CD LYS B 187 7.297 6.503 4.429 1.00 22.21 C ATOM 1078 CE LYS B 187 6.670 7.295 3.318 1.00 31.44 C ATOM 1079 NZ LYS B 187 5.251 7.591 3.553 1.00 31.33 N1+ ATOM 0 H LYS B 187 9.680 4.294 0.835 1.00 22.52 H new ATOM 0 HA LYS B 187 8.756 3.603 3.465 1.00 74.33 H new ATOM 0 HB2 LYS B 187 10.128 5.618 2.607 1.00 51.52 H new ATOM 0 HB3 LYS B 187 8.610 6.249 2.001 1.00 51.52 H new ATOM 0 HG2 LYS B 187 9.183 5.631 4.931 1.00 61.53 H new ATOM 0 HG3 LYS B 187 9.298 7.221 4.202 1.00 61.53 H new ATOM 0 HD2 LYS B 187 6.784 5.547 4.537 1.00 22.21 H new ATOM 0 HD3 LYS B 187 7.181 7.035 5.373 1.00 22.21 H new ATOM 0 HE2 LYS B 187 7.215 8.231 3.194 1.00 31.44 H new ATOM 0 HE3 LYS B 187 6.770 6.742 2.384 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 4.755 7.658 2.641 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 4.827 6.831 4.122 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 5.164 8.494 4.062 1.00 31.33 H new ATOM 1093 N GLU B 188 6.563 4.316 1.111 1.00 1.40 N ATOM 1094 CA GLU B 188 5.135 4.236 0.770 1.00 41.11 C ATOM 1095 C GLU B 188 4.612 2.790 0.970 1.00 55.30 C ATOM 1096 O GLU B 188 3.494 2.581 1.414 1.00 1.32 O ATOM 1097 CB GLU B 188 4.898 4.678 -0.684 1.00 0.21 C ATOM 1098 CG GLU B 188 5.354 6.100 -1.020 1.00 71.14 C ATOM 1099 CD GLU B 188 4.594 7.181 -0.275 1.00 11.41 C ATOM 1100 OE1 GLU B 188 4.999 7.553 0.837 1.00 62.41 O1- ATOM 1101 OE2 GLU B 188 3.599 7.700 -0.800 1.00 31.44 O ATOM 0 H GLU B 188 7.169 4.549 0.324 1.00 1.40 H new ATOM 0 HA GLU B 188 4.590 4.907 1.434 1.00 41.11 H new ATOM 0 HB2 GLU B 188 5.414 3.983 -1.346 1.00 0.21 H new ATOM 0 HB3 GLU B 188 3.833 4.595 -0.902 1.00 0.21 H new ATOM 0 HG2 GLU B 188 6.416 6.194 -0.793 1.00 71.14 H new ATOM 0 HG3 GLU B 188 5.242 6.263 -2.092 1.00 71.14 H new ATOM 1108 N ALA B 189 5.455 1.810 0.657 1.00 22.15 N ATOM 1109 CA ALA B 189 5.123 0.390 0.808 1.00 34.34 C ATOM 1110 C ALA B 189 5.002 0.016 2.286 1.00 10.01 C ATOM 1111 O ALA B 189 4.241 -0.893 2.660 1.00 70.11 O ATOM 1112 CB ALA B 189 6.180 -0.486 0.115 1.00 52.44 C ATOM 0 H ALA B 189 6.392 1.975 0.290 1.00 22.15 H new ATOM 0 HA ALA B 189 4.159 0.212 0.331 1.00 34.34 H new ATOM 0 HB1 ALA B 189 5.918 -1.537 0.237 1.00 52.44 H new ATOM 0 HB2 ALA B 189 6.216 -0.242 -0.947 1.00 52.44 H new ATOM 0 HB3 ALA B 189 7.156 -0.301 0.563 1.00 52.44 H new ATOM 1118 N GLN B 190 5.735 0.742 3.127 1.00 64.45 N ATOM 1119 CA GLN B 190 5.728 0.523 4.572 1.00 73.23 C ATOM 1120 C GLN B 190 4.351 0.801 5.159 1.00 61.30 C ATOM 1121 O GLN B 190 3.981 0.194 6.152 1.00 21.21 O ATOM 1122 CB GLN B 190 6.770 1.405 5.272 1.00 2.33 C ATOM 1123 CG GLN B 190 8.200 1.147 4.839 1.00 20.12 C ATOM 1124 CD GLN B 190 8.727 -0.199 5.262 1.00 2.31 C ATOM 1125 OE1 GLN B 190 8.345 -0.739 6.295 1.00 32.22 O ATOM 1126 NE2 GLN B 190 9.613 -0.743 4.484 1.00 62.14 N ATOM 0 H GLN B 190 6.350 1.498 2.827 1.00 64.45 H new ATOM 0 HA GLN B 190 5.982 -0.523 4.741 1.00 73.23 H new ATOM 0 HB2 GLN B 190 6.529 2.451 5.083 1.00 2.33 H new ATOM 0 HB3 GLN B 190 6.695 1.250 6.348 1.00 2.33 H new ATOM 0 HG2 GLN B 190 8.262 1.227 3.754 1.00 20.12 H new ATOM 0 HG3 GLN B 190 8.842 1.925 5.253 1.00 20.12 H new ATOM 0 HE21 GLN B 190 9.907 -0.264 3.633 1.00 62.14 H new ATOM 0 HE22 GLN B 190 10.015 -1.649 4.724 1.00 62.14 H new ATOM 1135 N GLU B 191 3.584 1.678 4.484 1.00 20.43 N ATOM 1136 CA GLU B 191 2.243 2.102 4.918 1.00 21.04 C ATOM 1137 C GLU B 191 1.383 0.912 5.302 1.00 11.53 C ATOM 1138 O GLU B 191 0.884 0.836 6.418 1.00 43.14 O ATOM 1139 CB GLU B 191 1.542 2.909 3.797 1.00 13.23 C ATOM 1140 CG GLU B 191 0.089 3.311 4.089 1.00 73.14 C ATOM 1141 CD GLU B 191 -0.057 4.267 5.247 1.00 25.30 C ATOM 1142 OE1 GLU B 191 0.204 3.875 6.402 1.00 63.00 O ATOM 1143 OE2 GLU B 191 -0.461 5.430 5.029 1.00 14.54 O1- ATOM 0 H GLU B 191 3.883 2.116 3.613 1.00 20.43 H new ATOM 0 HA GLU B 191 2.367 2.735 5.797 1.00 21.04 H new ATOM 0 HB2 GLU B 191 2.121 3.813 3.606 1.00 13.23 H new ATOM 0 HB3 GLU B 191 1.561 2.319 2.881 1.00 13.23 H new ATOM 0 HG2 GLU B 191 -0.338 3.768 3.196 1.00 73.14 H new ATOM 0 HG3 GLU B 191 -0.492 2.412 4.296 1.00 73.14 H new ATOM 1150 N ALA B 192 1.228 -0.011 4.389 1.00 12.05 N ATOM 1151 CA ALA B 192 0.410 -1.169 4.638 1.00 52.44 C ATOM 1152 C ALA B 192 1.184 -2.261 5.349 1.00 63.31 C ATOM 1153 O ALA B 192 0.634 -2.928 6.225 1.00 62.12 O ATOM 1154 CB ALA B 192 -0.193 -1.689 3.353 1.00 12.11 C ATOM 0 H ALA B 192 1.658 0.017 3.465 1.00 12.05 H new ATOM 0 HA ALA B 192 -0.400 -0.859 5.298 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.807 -2.564 3.567 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -0.812 -0.913 2.901 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.604 -1.965 2.663 1.00 12.11 H new ATOM 1160 N LEU B 193 2.477 -2.402 4.991 1.00 21.32 N ATOM 1161 CA LEU B 193 3.347 -3.464 5.497 1.00 65.15 C ATOM 1162 C LEU B 193 3.323 -3.536 7.004 1.00 0.51 C ATOM 1163 O LEU B 193 2.851 -4.493 7.608 1.00 31.01 O ATOM 1164 CB LEU B 193 4.769 -3.116 5.160 1.00 24.10 C ATOM 1165 CG LEU B 193 5.769 -4.182 5.512 1.00 35.55 C ATOM 1166 CD1 LEU B 193 5.848 -5.280 4.471 1.00 41.22 C ATOM 1167 CD2 LEU B 193 7.066 -3.557 5.797 1.00 3.03 C ATOM 0 H LEU B 193 2.943 -1.773 4.337 1.00 21.32 H new ATOM 0 HA LEU B 193 3.002 -4.399 5.056 1.00 65.15 H new ATOM 0 HB2 LEU B 193 4.837 -2.910 4.092 1.00 24.10 H new ATOM 0 HB3 LEU B 193 5.038 -2.196 5.680 1.00 24.10 H new ATOM 0 HG LEU B 193 5.433 -4.691 6.415 1.00 35.55 H new ATOM 0 HD11 LEU B 193 6.586 -6.021 4.779 1.00 41.22 H new ATOM 0 HD12 LEU B 193 4.873 -5.758 4.372 1.00 41.22 H new ATOM 0 HD13 LEU B 193 6.142 -4.852 3.512 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.793 -4.328 6.053 1.00 3.03 H new ATOM 0 HD22 LEU B 193 7.409 -3.012 4.917 1.00 3.03 H new ATOM 0 HD23 LEU B 193 6.961 -2.866 6.633 1.00 3.03 H new ATOM 1179 N GLU B 194 3.776 -2.462 7.560 1.00 32.42 N ATOM 1180 CA GLU B 194 3.997 -2.249 8.891 1.00 1.13 C ATOM 1181 C GLU B 194 2.746 -2.420 9.700 1.00 25.31 C ATOM 1182 O GLU B 194 2.688 -3.151 10.679 1.00 45.10 O ATOM 1183 CB GLU B 194 4.423 -0.828 8.902 1.00 42.50 C ATOM 1184 CG GLU B 194 4.627 -0.352 10.213 1.00 61.52 C ATOM 1185 CD GLU B 194 5.300 0.980 10.272 1.00 43.35 C ATOM 1186 OE1 GLU B 194 6.549 1.031 10.228 1.00 73.13 O ATOM 1187 OE2 GLU B 194 4.592 2.013 10.375 1.00 14.30 O1- ATOM 0 H GLU B 194 4.016 -1.643 7.002 1.00 32.42 H new ATOM 0 HA GLU B 194 4.715 -2.946 9.324 1.00 1.13 H new ATOM 0 HB2 GLU B 194 5.344 -0.720 8.329 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.667 -0.218 8.408 1.00 42.50 H new ATOM 0 HG2 GLU B 194 3.664 -0.285 10.719 1.00 61.52 H new ATOM 0 HG3 GLU B 194 5.227 -1.077 10.764 1.00 61.52 H new ATOM 1194 N LYS B 195 1.800 -1.715 9.263 1.00 35.45 N ATOM 1195 CA LYS B 195 0.527 -1.607 9.785 1.00 0.22 C ATOM 1196 C LYS B 195 -0.186 -2.968 9.961 1.00 34.32 C ATOM 1197 O LYS B 195 -0.852 -3.188 10.975 1.00 24.42 O ATOM 1198 CB LYS B 195 -0.142 -0.704 8.818 1.00 52.22 C ATOM 1199 CG LYS B 195 -1.550 -0.417 9.036 1.00 23.11 C ATOM 1200 CD LYS B 195 -2.010 0.754 8.187 1.00 42.32 C ATOM 1201 CE LYS B 195 -1.585 2.135 8.754 1.00 61.10 C ATOM 1202 NZ LYS B 195 -0.151 2.477 8.596 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.918 -1.133 8.433 1.00 35.45 H new ATOM 0 HA LYS B 195 0.516 -1.219 10.804 1.00 0.22 H new ATOM 0 HB2 LYS B 195 0.398 0.243 8.812 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -0.036 -1.137 7.823 1.00 52.22 H new ATOM 0 HG2 LYS B 195 -2.145 -1.299 8.797 1.00 23.11 H new ATOM 0 HG3 LYS B 195 -1.719 -0.194 10.089 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -1.606 0.644 7.181 1.00 42.32 H new ATOM 0 HD3 LYS B 195 -3.096 0.725 8.100 1.00 42.32 H new ATOM 0 HE2 LYS B 195 -2.180 2.907 8.266 1.00 61.10 H new ATOM 0 HE3 LYS B 195 -1.833 2.164 9.815 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 0.307 2.493 9.530 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 0.312 1.765 7.996 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 -0.064 3.413 8.152 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.051 -3.885 9.011 1.00 42.45 N ATOM 1217 CA LEU B 196 -0.671 -5.137 9.152 1.00 65.11 C ATOM 1218 C LEU B 196 0.173 -6.056 10.010 1.00 32.01 C ATOM 1219 O LEU B 196 -0.362 -6.914 10.722 1.00 22.43 O ATOM 1220 CB LEU B 196 -0.914 -5.752 7.788 1.00 75.42 C ATOM 1221 CG LEU B 196 0.274 -6.349 7.020 1.00 24.30 C ATOM 1222 CD1 LEU B 196 0.378 -7.855 7.276 1.00 63.01 C ATOM 1223 CD2 LEU B 196 0.163 -6.043 5.538 1.00 63.35 C ATOM 0 H LEU B 196 0.484 -3.759 8.152 1.00 42.45 H new ATOM 0 HA LEU B 196 -1.631 -4.998 9.649 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -1.657 -6.540 7.910 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.363 -4.985 7.156 1.00 75.42 H new ATOM 0 HG LEU B 196 1.191 -5.886 7.384 1.00 24.30 H new ATOM 0 HD11 LEU B 196 1.226 -8.260 6.723 1.00 63.01 H new ATOM 0 HD12 LEU B 196 0.521 -8.034 8.342 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -0.538 -8.344 6.945 1.00 63.01 H new ATOM 0 HD21 LEU B 196 1.015 -6.475 5.012 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -0.760 -6.471 5.146 1.00 63.35 H new ATOM 0 HD23 LEU B 196 0.154 -4.963 5.389 1.00 63.35 H new ATOM 1235 N GLN B 197 1.478 -5.887 9.935 1.00 54.12 N ATOM 1236 CA GLN B 197 2.380 -6.735 10.663 1.00 1.52 C ATOM 1237 C GLN B 197 2.363 -6.417 12.150 1.00 14.31 C ATOM 1238 O GLN B 197 1.922 -5.333 12.566 1.00 23.34 O ATOM 1239 CB GLN B 197 3.815 -6.659 10.146 1.00 12.04 C ATOM 1240 CG GLN B 197 4.006 -7.139 8.725 1.00 14.33 C ATOM 1241 CD GLN B 197 5.466 -7.278 8.379 1.00 33.32 C ATOM 1242 OE1 GLN B 197 6.117 -6.336 7.918 1.00 54.42 O ATOM 1243 NE2 GLN B 197 5.994 -8.448 8.588 1.00 34.25 N ATOM 0 H GLN B 197 1.931 -5.166 9.374 1.00 54.12 H new ATOM 0 HA GLN B 197 2.020 -7.752 10.505 1.00 1.52 H new ATOM 0 HB2 GLN B 197 4.156 -5.626 10.214 1.00 12.04 H new ATOM 0 HB3 GLN B 197 4.454 -7.250 10.803 1.00 12.04 H new ATOM 0 HG2 GLN B 197 3.507 -8.099 8.594 1.00 14.33 H new ATOM 0 HG3 GLN B 197 3.533 -6.438 8.037 1.00 14.33 H new ATOM 0 HE21 GLN B 197 5.425 -9.203 8.970 1.00 34.25 H new ATOM 0 HE22 GLN B 197 6.977 -8.610 8.370 1.00 34.25 H new ATOM 1252 N SER B 198 2.818 -7.345 12.941 1.00 33.54 N ATOM 1253 CA SER B 198 2.905 -7.157 14.353 1.00 12.43 C ATOM 1254 C SER B 198 4.070 -6.218 14.656 1.00 1.54 C ATOM 1255 O SER B 198 5.181 -6.405 14.143 1.00 24.20 O ATOM 1256 CB SER B 198 3.134 -8.513 15.005 1.00 25.00 C ATOM 1257 OG SER B 198 2.128 -9.434 14.590 1.00 4.45 O ATOM 0 H SER B 198 3.140 -8.258 12.619 1.00 33.54 H new ATOM 0 HA SER B 198 1.987 -6.718 14.743 1.00 12.43 H new ATOM 0 HB2 SER B 198 4.119 -8.893 14.735 1.00 25.00 H new ATOM 0 HB3 SER B 198 3.118 -8.410 16.090 1.00 25.00 H new ATOM 0 HG SER B 198 2.286 -10.303 15.014 1.00 4.45 H new ATOM 1263 N HIS B 199 3.822 -5.215 15.445 1.00 64.41 N ATOM 1264 CA HIS B 199 4.839 -4.269 15.789 1.00 72.30 C ATOM 1265 C HIS B 199 4.735 -4.007 17.267 1.00 63.44 C ATOM 1266 O HIS B 199 4.098 -3.033 17.660 1.00 64.51 O ATOM 1267 CB HIS B 199 4.647 -2.969 14.976 1.00 55.12 C ATOM 1268 CG HIS B 199 5.759 -1.962 15.096 1.00 44.44 C ATOM 1269 ND1 HIS B 199 6.665 -1.736 14.090 1.00 1.01 N ATOM 1270 CD2 HIS B 199 6.077 -1.090 16.082 1.00 11.40 C ATOM 1271 CE1 HIS B 199 7.489 -0.776 14.446 1.00 1.32 C ATOM 1272 NE2 HIS B 199 7.156 -0.365 15.649 1.00 12.31 N ATOM 0 H HIS B 199 2.912 -5.031 15.867 1.00 64.41 H new ATOM 0 HA HIS B 199 5.830 -4.657 15.553 1.00 72.30 H new ATOM 0 HB2 HIS B 199 4.530 -3.232 13.925 1.00 55.12 H new ATOM 0 HB3 HIS B 199 3.717 -2.497 15.292 1.00 55.12 H new ATOM 0 HD2 HIS B 199 5.574 -0.986 17.032 1.00 11.40 H new ATOM 0 HE1 HIS B 199 8.303 -0.390 13.850 1.00 1.32 H new ATOM 0 HE2 HIS B 199 7.624 0.373 16.175 1.00 12.31 H new