USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 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 180 HIS :FLIP no HE2:sc= -2.49! F(o=-3.2,f=-2.5!) USER MOD Set 1.2: B 186 GLN : amide:sc= -0.0224 K(o=-2.5,f=-3.3) USER MOD Set 2.1: B 134 GLN : amide:sc= 0.766 K(o=2,f=-11!) USER MOD Set 2.2: B 173 LYS NZ :NH3+ 141:sc= 1.27 (180deg=0) USER MOD Single : B 137 SER OG : rot -39:sc= -0.139 USER MOD Single : B 138 SER OG : rot 119:sc= -2.25! USER MOD Single : B 140 ASN : amide:sc= -3! C(o=-3!,f=-12!) USER MOD Single : B 142 GLN : amide:sc= 0.161 X(o=0.16,f=-0.091) USER MOD Single : B 145 GLN : amide:sc= -3.22! C(o=-3.2!,f=-3.1!) USER MOD Single : B 152 SER OG : rot 180:sc= 0 USER MOD Single : B 153 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : B 156 SER OG : rot 180:sc= 0 USER MOD Single : B 159 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.8!) USER MOD Single : B 161 GLN : amide:sc= -1.03! C(o=-1!,f=-4.5!) USER MOD Single : B 162 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0735) USER MOD Single : B 163 GLN : amide:sc= -0.331 K(o=-0.33,f=-1.7!) USER MOD Single : B 166 LYS NZ :NH3+ -149:sc= -1.34 (180deg=-3.19!) USER MOD Single : B 176 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.17) USER MOD Single : B 178 GLN : amide:sc= -0.336 K(o=-0.34,f=-0.88) USER MOD Single : B 179 SER OG : rot 180:sc= 0 USER MOD Single : B 182 ASN : amide:sc= -0.762 K(o=-0.76,f=-12!) USER MOD Single : B 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 187 LYS NZ :NH3+ -103:sc= 1.79 (180deg=0.556) USER MOD Single : B 190 GLN :FLIP amide:sc= -0.47 F(o=-1.7,f=-0.47) USER MOD Single : B 195 LYS NZ :NH3+ -154:sc= 2.25 (180deg=1.89) USER MOD Single : B 197 GLN : amide:sc= 0 K(o=0,f=-0.97) 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 -11.936 -1.505 2.581 1.00 55.53 N ATOM 177 CA LEU B 129 -12.207 -2.230 1.367 1.00 45.21 C ATOM 178 C LEU B 129 -10.889 -2.449 0.640 1.00 33.52 C ATOM 179 O LEU B 129 -9.942 -1.688 0.864 1.00 22.43 O ATOM 180 CB LEU B 129 -13.162 -1.404 0.478 1.00 71.14 C ATOM 181 CG LEU B 129 -14.545 -1.081 1.061 1.00 72.10 C ATOM 182 CD1 LEU B 129 -15.316 -0.175 0.122 1.00 71.02 C ATOM 183 CD2 LEU B 129 -15.332 -2.358 1.318 1.00 45.41 C ATOM 0 HA LEU B 129 -12.675 -3.188 1.593 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -12.669 -0.463 0.232 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -13.306 -1.943 -0.459 1.00 71.14 H new ATOM 0 HG LEU B 129 -14.402 -0.565 2.010 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -16.294 0.045 0.550 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -14.765 0.755 -0.020 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -15.444 -0.672 -0.840 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -16.309 -2.106 1.731 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -15.463 -2.900 0.381 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -14.789 -2.984 2.026 1.00 45.41 H new ATOM 195 N PRO B 130 -10.794 -3.473 -0.246 1.00 0.32 N ATOM 196 CA PRO B 130 -9.572 -3.785 -1.016 1.00 63.11 C ATOM 197 C PRO B 130 -8.990 -2.621 -1.791 1.00 21.50 C ATOM 198 O PRO B 130 -7.839 -2.668 -2.168 1.00 1.14 O ATOM 199 CB PRO B 130 -10.034 -4.844 -1.989 1.00 74.52 C ATOM 200 CG PRO B 130 -11.103 -5.543 -1.256 1.00 3.43 C ATOM 201 CD PRO B 130 -11.856 -4.452 -0.562 1.00 14.32 C ATOM 0 HA PRO B 130 -8.772 -4.083 -0.338 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -10.404 -4.404 -2.915 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -9.224 -5.521 -2.259 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -11.749 -6.102 -1.933 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -10.693 -6.258 -0.543 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.626 -4.021 -1.202 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.354 -4.813 0.338 1.00 14.32 H new ATOM 209 N ALA B 131 -9.776 -1.588 -2.025 1.00 12.31 N ATOM 210 CA ALA B 131 -9.316 -0.407 -2.739 1.00 41.31 C ATOM 211 C ALA B 131 -8.041 0.173 -2.117 1.00 3.12 C ATOM 212 O ALA B 131 -7.181 0.671 -2.831 1.00 52.45 O ATOM 213 CB ALA B 131 -10.402 0.650 -2.812 1.00 12.14 C ATOM 0 H ALA B 131 -10.750 -1.541 -1.727 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.077 -0.722 -3.755 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -10.027 1.520 -3.351 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -11.269 0.245 -3.334 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -10.691 0.945 -1.803 1.00 12.14 H new ATOM 219 N LEU B 132 -7.908 0.038 -0.791 1.00 31.23 N ATOM 220 CA LEU B 132 -6.731 0.522 -0.071 1.00 71.30 C ATOM 221 C LEU B 132 -5.489 -0.264 -0.490 1.00 32.55 C ATOM 222 O LEU B 132 -4.391 0.270 -0.594 1.00 34.51 O ATOM 223 CB LEU B 132 -6.964 0.465 1.475 1.00 34.00 C ATOM 224 CG LEU B 132 -7.197 -0.921 2.166 1.00 41.21 C ATOM 225 CD1 LEU B 132 -5.886 -1.671 2.479 1.00 25.22 C ATOM 226 CD2 LEU B 132 -8.032 -0.756 3.426 1.00 65.03 C ATOM 0 H LEU B 132 -8.607 -0.406 -0.196 1.00 31.23 H new ATOM 0 HA LEU B 132 -6.564 1.567 -0.334 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -6.101 0.928 1.953 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -7.827 1.092 1.699 1.00 34.00 H new ATOM 0 HG LEU B 132 -7.742 -1.536 1.450 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -6.117 -2.623 2.957 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -5.341 -1.852 1.553 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -5.273 -1.068 3.149 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -8.183 -1.730 3.892 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -7.514 -0.097 4.122 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -8.998 -0.323 3.168 1.00 65.03 H new ATOM 238 N VAL B 133 -5.687 -1.526 -0.758 1.00 20.30 N ATOM 239 CA VAL B 133 -4.617 -2.398 -1.117 1.00 2.44 C ATOM 240 C VAL B 133 -4.314 -2.302 -2.580 1.00 41.43 C ATOM 241 O VAL B 133 -3.235 -2.661 -3.045 1.00 11.14 O ATOM 242 CB VAL B 133 -4.922 -3.832 -0.703 1.00 33.41 C ATOM 243 CG1 VAL B 133 -5.575 -4.685 -1.759 1.00 1.21 C ATOM 244 CG2 VAL B 133 -3.748 -4.459 -0.080 1.00 60.04 C ATOM 0 H VAL B 133 -6.603 -1.975 -0.732 1.00 20.30 H new ATOM 0 HA VAL B 133 -3.725 -2.081 -0.576 1.00 2.44 H new ATOM 0 HB VAL B 133 -5.703 -3.761 0.054 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -5.749 -5.685 -1.363 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -6.526 -4.240 -2.050 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -4.923 -4.748 -2.630 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -3.991 -5.482 0.207 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -2.921 -4.468 -0.790 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -3.460 -3.893 0.806 1.00 60.04 H new ATOM 254 N GLN B 134 -5.277 -1.821 -3.296 1.00 51.03 N ATOM 255 CA GLN B 134 -5.169 -1.721 -4.708 1.00 1.43 C ATOM 256 C GLN B 134 -4.110 -0.716 -5.129 1.00 10.22 C ATOM 257 O GLN B 134 -3.398 -0.936 -6.105 1.00 3.33 O ATOM 258 CB GLN B 134 -6.500 -1.441 -5.386 1.00 62.21 C ATOM 259 CG GLN B 134 -7.500 -2.592 -5.289 1.00 72.32 C ATOM 260 CD GLN B 134 -6.964 -3.893 -5.879 1.00 12.24 C ATOM 261 OE1 GLN B 134 -6.344 -4.698 -5.186 1.00 42.42 O ATOM 262 NE2 GLN B 134 -7.189 -4.103 -7.150 1.00 42.35 N ATOM 0 H GLN B 134 -6.162 -1.486 -2.914 1.00 51.03 H new ATOM 0 HA GLN B 134 -4.846 -2.704 -5.052 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -6.943 -0.550 -4.941 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.321 -1.217 -6.437 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -7.761 -2.753 -4.243 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.418 -2.314 -5.807 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -7.707 -3.415 -7.697 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -6.847 -4.955 -7.595 1.00 42.35 H new ATOM 271 N LEU B 135 -3.981 0.376 -4.388 1.00 31.00 N ATOM 272 CA LEU B 135 -2.946 1.348 -4.713 1.00 53.40 C ATOM 273 C LEU B 135 -1.604 0.870 -4.226 1.00 44.52 C ATOM 274 O LEU B 135 -0.602 1.277 -4.725 1.00 61.22 O ATOM 275 CB LEU B 135 -3.219 2.797 -4.228 1.00 12.34 C ATOM 276 CG LEU B 135 -3.479 3.019 -2.736 1.00 11.04 C ATOM 277 CD1 LEU B 135 -3.095 4.453 -2.346 1.00 24.03 C ATOM 278 CD2 LEU B 135 -4.953 2.799 -2.443 1.00 52.53 C ATOM 0 H LEU B 135 -4.561 0.608 -3.581 1.00 31.00 H new ATOM 0 HA LEU B 135 -2.952 1.413 -5.801 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -2.365 3.411 -4.513 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.081 3.176 -4.777 1.00 12.34 H new ATOM 0 HG LEU B 135 -2.878 2.315 -2.160 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -3.283 4.604 -1.283 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -2.038 4.616 -2.554 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -3.692 5.159 -2.923 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -5.140 2.957 -1.381 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -5.549 3.502 -3.025 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -5.229 1.780 -2.713 1.00 52.53 H new ATOM 290 N LEU B 136 -1.615 -0.057 -3.282 1.00 21.22 N ATOM 291 CA LEU B 136 -0.379 -0.648 -2.745 1.00 44.41 C ATOM 292 C LEU B 136 0.206 -1.541 -3.765 1.00 40.11 C ATOM 293 O LEU B 136 1.351 -1.892 -3.712 1.00 61.31 O ATOM 294 CB LEU B 136 -0.706 -1.539 -1.589 1.00 1.14 C ATOM 295 CG LEU B 136 0.460 -2.027 -0.726 1.00 52.41 C ATOM 296 CD1 LEU B 136 1.125 -0.867 -0.007 1.00 41.23 C ATOM 297 CD2 LEU B 136 -0.017 -3.079 0.257 1.00 34.05 C ATOM 0 H LEU B 136 -2.469 -0.425 -2.863 1.00 21.22 H new ATOM 0 HA LEU B 136 0.292 0.162 -2.458 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -1.405 -1.009 -0.942 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -1.229 -2.414 -1.975 1.00 1.14 H new ATOM 0 HG LEU B 136 1.206 -2.482 -1.378 1.00 52.41 H new ATOM 0 HD11 LEU B 136 1.950 -1.240 0.600 1.00 41.23 H new ATOM 0 HD12 LEU B 136 1.506 -0.155 -0.739 1.00 41.23 H new ATOM 0 HD13 LEU B 136 0.397 -0.372 0.636 1.00 41.23 H new ATOM 0 HD21 LEU B 136 0.823 -3.417 0.864 1.00 34.05 H new ATOM 0 HD22 LEU B 136 -0.784 -2.652 0.904 1.00 34.05 H new ATOM 0 HD23 LEU B 136 -0.434 -3.925 -0.289 1.00 34.05 H new ATOM 309 N SER B 137 -0.613 -1.951 -4.655 1.00 11.45 N ATOM 310 CA SER B 137 -0.215 -2.870 -5.609 1.00 2.00 C ATOM 311 C SER B 137 -0.338 -2.230 -7.006 1.00 23.45 C ATOM 312 O SER B 137 -0.450 -2.941 -8.019 1.00 1.12 O ATOM 313 CB SER B 137 -1.111 -4.098 -5.491 1.00 70.13 C ATOM 314 OG SER B 137 -0.784 -5.124 -6.403 1.00 44.15 O ATOM 0 H SER B 137 -1.584 -1.647 -4.730 1.00 11.45 H new ATOM 0 HA SER B 137 0.823 -3.168 -5.458 1.00 2.00 H new ATOM 0 HB2 SER B 137 -1.044 -4.490 -4.476 1.00 70.13 H new ATOM 0 HB3 SER B 137 -2.147 -3.798 -5.650 1.00 70.13 H new ATOM 0 HG SER B 137 -0.543 -4.729 -7.267 1.00 44.15 H new ATOM 320 N SER B 138 -0.311 -0.908 -7.041 1.00 30.13 N ATOM 321 CA SER B 138 -0.563 -0.107 -8.217 1.00 70.24 C ATOM 322 C SER B 138 0.236 -0.522 -9.479 1.00 64.22 C ATOM 323 O SER B 138 1.307 -1.136 -9.399 1.00 31.04 O ATOM 324 CB SER B 138 -0.280 1.342 -7.855 1.00 65.30 C ATOM 325 OG SER B 138 1.007 1.488 -7.328 1.00 2.10 O ATOM 0 H SER B 138 -0.104 -0.346 -6.216 1.00 30.13 H new ATOM 0 HA SER B 138 -1.604 -0.263 -8.500 1.00 70.24 H new ATOM 0 HB2 SER B 138 -0.387 1.969 -8.740 1.00 65.30 H new ATOM 0 HB3 SER B 138 -1.015 1.689 -7.129 1.00 65.30 H new ATOM 0 HG SER B 138 1.528 2.091 -7.899 1.00 2.10 H new ATOM 331 N PRO B 139 -0.296 -0.153 -10.666 1.00 3.54 N ATOM 332 CA PRO B 139 0.359 -0.400 -11.980 1.00 24.41 C ATOM 333 C PRO B 139 1.521 0.568 -12.145 1.00 3.55 C ATOM 334 O PRO B 139 2.534 0.294 -12.786 1.00 33.11 O ATOM 335 CB PRO B 139 -0.728 0.093 -12.975 1.00 51.14 C ATOM 336 CG PRO B 139 -1.419 1.131 -12.162 1.00 12.24 C ATOM 337 CD PRO B 139 -1.606 0.506 -10.848 1.00 64.24 C ATOM 0 HA PRO B 139 0.704 -1.427 -12.103 1.00 24.41 H new ATOM 0 HB2 PRO B 139 -0.294 0.506 -13.886 1.00 51.14 H new ATOM 0 HB3 PRO B 139 -1.402 -0.708 -13.277 1.00 51.14 H new ATOM 0 HG2 PRO B 139 -0.821 2.040 -12.088 1.00 12.24 H new ATOM 0 HG3 PRO B 139 -2.373 1.413 -12.607 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -1.812 1.238 -10.068 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -2.431 -0.206 -10.843 1.00 64.24 H new ATOM 345 N ASN B 140 1.338 1.679 -11.497 1.00 23.02 N ATOM 346 CA ASN B 140 2.077 2.837 -11.680 1.00 20.23 C ATOM 347 C ASN B 140 2.548 3.286 -10.321 1.00 43.12 C ATOM 348 O ASN B 140 1.757 3.268 -9.367 1.00 34.53 O ATOM 349 CB ASN B 140 1.110 3.941 -12.227 1.00 62.14 C ATOM 350 CG ASN B 140 1.831 5.108 -12.830 1.00 24.03 C ATOM 351 OD1 ASN B 140 2.948 5.407 -12.461 1.00 54.34 O ATOM 352 ND2 ASN B 140 1.210 5.771 -13.768 1.00 42.30 N ATOM 0 H ASN B 140 0.614 1.780 -10.785 1.00 23.02 H new ATOM 0 HA ASN B 140 2.911 2.671 -12.362 1.00 20.23 H new ATOM 0 HB2 ASN B 140 0.453 3.501 -12.977 1.00 62.14 H new ATOM 0 HB3 ASN B 140 0.475 4.294 -11.415 1.00 62.14 H new ATOM 0 HD21 ASN B 140 1.664 6.568 -14.215 1.00 42.30 H new ATOM 0 HD22 ASN B 140 0.271 5.492 -14.054 1.00 42.30 H new ATOM 359 N GLU B 141 3.785 3.694 -10.215 1.00 73.15 N ATOM 360 CA GLU B 141 4.293 4.246 -8.970 1.00 45.35 C ATOM 361 C GLU B 141 3.635 5.608 -8.721 1.00 73.44 C ATOM 362 O GLU B 141 3.378 6.009 -7.586 1.00 64.43 O ATOM 363 CB GLU B 141 5.821 4.376 -9.018 1.00 72.42 C ATOM 364 CG GLU B 141 6.541 3.040 -9.132 1.00 31.50 C ATOM 365 CD GLU B 141 8.041 3.174 -9.077 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.663 3.428 -10.129 1.00 72.31 O ATOM 367 OE2 GLU B 141 8.625 2.989 -7.996 1.00 2.24 O1- ATOM 0 H GLU B 141 4.467 3.658 -10.973 1.00 73.15 H new ATOM 0 HA GLU B 141 4.047 3.574 -8.148 1.00 45.35 H new ATOM 0 HB2 GLU B 141 6.098 5.002 -9.866 1.00 72.42 H new ATOM 0 HB3 GLU B 141 6.163 4.888 -8.118 1.00 72.42 H new ATOM 0 HG2 GLU B 141 6.210 2.385 -8.326 1.00 31.50 H new ATOM 0 HG3 GLU B 141 6.259 2.560 -10.069 1.00 31.50 H new ATOM 374 N GLN B 142 3.305 6.267 -9.816 1.00 51.13 N ATOM 375 CA GLN B 142 2.663 7.568 -9.819 1.00 31.54 C ATOM 376 C GLN B 142 1.291 7.523 -9.225 1.00 51.24 C ATOM 377 O GLN B 142 1.003 8.224 -8.273 1.00 5.41 O ATOM 378 CB GLN B 142 2.534 8.075 -11.244 1.00 3.13 C ATOM 379 CG GLN B 142 3.850 8.499 -11.869 1.00 43.42 C ATOM 380 CD GLN B 142 4.513 9.658 -11.133 1.00 72.43 C ATOM 381 OE1 GLN B 142 5.736 9.758 -11.104 1.00 44.11 O ATOM 382 NE2 GLN B 142 3.729 10.550 -10.565 1.00 63.34 N ATOM 0 H GLN B 142 3.481 5.903 -10.752 1.00 51.13 H new ATOM 0 HA GLN B 142 3.287 8.229 -9.217 1.00 31.54 H new ATOM 0 HB2 GLN B 142 2.087 7.293 -11.858 1.00 3.13 H new ATOM 0 HB3 GLN B 142 1.848 8.922 -11.257 1.00 3.13 H new ATOM 0 HG2 GLN B 142 4.530 7.648 -11.882 1.00 43.42 H new ATOM 0 HG3 GLN B 142 3.678 8.786 -12.906 1.00 43.42 H new ATOM 0 HE21 GLN B 142 2.716 10.439 -10.607 1.00 63.34 H new ATOM 0 HE22 GLN B 142 4.135 11.352 -10.083 1.00 63.34 H new ATOM 391 N ILE B 143 0.454 6.662 -9.776 1.00 34.31 N ATOM 392 CA ILE B 143 -0.949 6.614 -9.413 1.00 21.53 C ATOM 393 C ILE B 143 -1.120 6.250 -7.933 1.00 1.45 C ATOM 394 O ILE B 143 -2.100 6.620 -7.308 1.00 53.35 O ATOM 395 CB ILE B 143 -1.758 5.680 -10.373 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.517 4.204 -10.128 1.00 73.10 C ATOM 397 CG2 ILE B 143 -1.554 6.051 -11.817 1.00 44.30 C ATOM 398 CD1 ILE B 143 -2.529 3.611 -9.171 1.00 51.44 C ATOM 0 H ILE B 143 0.727 5.980 -10.484 1.00 34.31 H new ATOM 0 HA ILE B 143 -1.371 7.611 -9.539 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.808 5.849 -10.134 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -1.559 3.668 -11.076 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.514 4.063 -9.726 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -2.133 5.379 -12.451 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -1.885 7.077 -11.979 1.00 44.30 H new ATOM 0 HG23 ILE B 143 -0.497 5.966 -12.069 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -2.316 2.552 -9.026 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -2.470 4.127 -8.213 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -3.531 3.726 -9.584 1.00 51.44 H new ATOM 410 N LEU B 144 -0.128 5.540 -7.396 1.00 55.31 N ATOM 411 CA LEU B 144 -0.076 5.216 -5.981 1.00 51.23 C ATOM 412 C LEU B 144 0.069 6.515 -5.201 1.00 35.13 C ATOM 413 O LEU B 144 -0.830 6.911 -4.500 1.00 44.33 O ATOM 414 CB LEU B 144 1.111 4.224 -5.691 1.00 3.21 C ATOM 415 CG LEU B 144 1.327 3.705 -4.226 1.00 52.24 C ATOM 416 CD1 LEU B 144 2.218 2.469 -4.220 1.00 13.41 C ATOM 417 CD2 LEU B 144 1.982 4.755 -3.350 1.00 24.12 C ATOM 0 H LEU B 144 0.659 5.176 -7.934 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.992 4.714 -5.669 1.00 51.23 H new ATOM 0 HB2 LEU B 144 0.976 3.353 -6.332 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.033 4.713 -6.006 1.00 3.21 H new ATOM 0 HG LEU B 144 0.340 3.467 -3.831 1.00 52.24 H new ATOM 0 HD11 LEU B 144 2.356 2.125 -3.195 1.00 13.41 H new ATOM 0 HD12 LEU B 144 1.749 1.680 -4.808 1.00 13.41 H new ATOM 0 HD13 LEU B 144 3.187 2.717 -4.653 1.00 13.41 H new ATOM 0 HD21 LEU B 144 2.115 4.358 -2.344 1.00 24.12 H new ATOM 0 HD22 LEU B 144 2.954 5.021 -3.766 1.00 24.12 H new ATOM 0 HD23 LEU B 144 1.349 5.642 -3.310 1.00 24.12 H new ATOM 429 N GLN B 145 1.169 7.204 -5.435 1.00 62.02 N ATOM 430 CA GLN B 145 1.533 8.423 -4.702 1.00 14.14 C ATOM 431 C GLN B 145 0.591 9.592 -4.954 1.00 53.32 C ATOM 432 O GLN B 145 0.306 10.378 -4.053 1.00 13.44 O ATOM 433 CB GLN B 145 2.965 8.793 -5.030 1.00 31.14 C ATOM 434 CG GLN B 145 3.964 7.835 -4.421 1.00 35.44 C ATOM 435 CD GLN B 145 4.158 8.027 -2.929 1.00 5.04 C ATOM 436 OE1 GLN B 145 4.458 7.090 -2.210 1.00 4.41 O ATOM 437 NE2 GLN B 145 4.031 9.248 -2.460 1.00 60.40 N ATOM 0 H GLN B 145 1.850 6.938 -6.146 1.00 62.02 H new ATOM 0 HA GLN B 145 1.438 8.203 -3.639 1.00 14.14 H new ATOM 0 HB2 GLN B 145 3.094 8.808 -6.112 1.00 31.14 H new ATOM 0 HB3 GLN B 145 3.168 9.802 -4.670 1.00 31.14 H new ATOM 0 HG2 GLN B 145 3.635 6.813 -4.607 1.00 35.44 H new ATOM 0 HG3 GLN B 145 4.924 7.957 -4.922 1.00 35.44 H new ATOM 0 HE21 GLN B 145 3.779 10.012 -3.087 1.00 60.40 H new ATOM 0 HE22 GLN B 145 4.185 9.432 -1.469 1.00 60.40 H new ATOM 446 N GLU B 146 0.099 9.691 -6.145 1.00 55.14 N ATOM 447 CA GLU B 146 -0.799 10.769 -6.494 1.00 32.43 C ATOM 448 C GLU B 146 -2.214 10.566 -5.923 1.00 61.02 C ATOM 449 O GLU B 146 -2.901 11.531 -5.582 1.00 62.21 O ATOM 450 CB GLU B 146 -0.791 11.006 -7.994 1.00 61.15 C ATOM 451 CG GLU B 146 0.566 11.483 -8.504 1.00 73.43 C ATOM 452 CD GLU B 146 0.597 11.703 -9.986 1.00 74.32 C ATOM 453 OE1 GLU B 146 0.888 10.745 -10.734 1.00 3.34 O ATOM 454 OE2 GLU B 146 0.345 12.844 -10.442 1.00 22.34 O1- ATOM 0 H GLU B 146 0.298 9.040 -6.904 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.430 11.679 -6.021 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -1.064 10.083 -8.506 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -1.551 11.746 -8.246 1.00 61.15 H new ATOM 0 HG2 GLU B 146 0.830 12.413 -8.000 1.00 73.43 H new ATOM 0 HG3 GLU B 146 1.326 10.749 -8.236 1.00 73.43 H new ATOM 461 N ALA B 147 -2.652 9.321 -5.806 1.00 15.44 N ATOM 462 CA ALA B 147 -3.947 9.049 -5.181 1.00 72.45 C ATOM 463 C ALA B 147 -3.791 8.964 -3.664 1.00 11.52 C ATOM 464 O ALA B 147 -4.738 9.201 -2.897 1.00 71.22 O ATOM 465 CB ALA B 147 -4.561 7.776 -5.730 1.00 4.23 C ATOM 0 H ALA B 147 -2.146 8.496 -6.127 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.622 9.872 -5.418 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.522 7.598 -5.248 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.707 7.877 -6.805 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.895 6.936 -5.532 1.00 4.23 H new ATOM 471 N LEU B 148 -2.563 8.668 -3.264 1.00 50.13 N ATOM 472 CA LEU B 148 -2.123 8.460 -1.877 1.00 10.21 C ATOM 473 C LEU B 148 -2.552 9.585 -1.012 1.00 72.25 C ATOM 474 O LEU B 148 -2.956 9.372 0.097 1.00 11.01 O ATOM 475 CB LEU B 148 -0.596 8.352 -1.881 1.00 24.22 C ATOM 476 CG LEU B 148 0.170 8.014 -0.591 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.531 7.488 -0.977 1.00 75.04 C ATOM 478 CD2 LEU B 148 0.373 9.246 0.286 1.00 53.12 C ATOM 0 H LEU B 148 -1.798 8.559 -3.930 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.571 7.550 -1.479 1.00 10.21 H new ATOM 0 HB2 LEU B 148 -0.330 7.596 -2.620 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.208 9.303 -2.245 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.410 7.281 -0.030 1.00 12.12 H new ATOM 0 HD11 LEU B 148 2.094 7.241 -0.077 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.415 6.594 -1.590 1.00 75.04 H new ATOM 0 HD13 LEU B 148 2.068 8.249 -1.543 1.00 75.04 H new ATOM 0 HD21 LEU B 148 0.918 8.965 1.187 1.00 53.12 H new ATOM 0 HD22 LEU B 148 0.943 9.994 -0.264 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -0.597 9.660 0.562 1.00 53.12 H new ATOM 490 N TRP B 149 -2.456 10.772 -1.541 1.00 72.11 N ATOM 491 CA TRP B 149 -2.833 11.989 -0.848 1.00 73.33 C ATOM 492 C TRP B 149 -4.168 11.861 -0.135 1.00 33.51 C ATOM 493 O TRP B 149 -4.303 12.249 1.036 1.00 12.44 O ATOM 494 CB TRP B 149 -2.897 13.130 -1.827 1.00 5.20 C ATOM 495 CG TRP B 149 -1.568 13.514 -2.412 1.00 21.45 C ATOM 496 CD1 TRP B 149 -1.217 13.494 -3.730 1.00 14.14 C ATOM 497 CD2 TRP B 149 -0.397 13.941 -1.697 1.00 64.10 C ATOM 498 NE1 TRP B 149 0.082 13.899 -3.880 1.00 44.31 N ATOM 499 CE2 TRP B 149 0.610 14.175 -2.653 1.00 41.22 C ATOM 500 CE3 TRP B 149 -0.103 14.155 -0.348 1.00 50.34 C ATOM 501 CZ2 TRP B 149 1.884 14.609 -2.303 1.00 11.41 C ATOM 502 CZ3 TRP B 149 1.163 14.586 -0.005 1.00 0.00 C ATOM 503 CH2 TRP B 149 2.139 14.808 -0.977 1.00 21.30 C ATOM 0 H TRP B 149 -2.107 10.933 -2.486 1.00 72.11 H new ATOM 0 HA TRP B 149 -2.073 12.179 -0.091 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -3.574 12.861 -2.638 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -3.326 13.999 -1.328 1.00 5.20 H new ATOM 0 HD1 TRP B 149 -1.870 13.201 -4.539 1.00 14.14 H new ATOM 0 HE1 TRP B 149 0.577 13.981 -4.768 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -0.852 13.987 0.412 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 2.643 14.782 -3.052 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 1.402 14.754 1.035 1.00 0.00 H new ATOM 0 HH2 TRP B 149 3.119 15.145 -0.673 1.00 21.30 H new ATOM 514 N ALA B 150 -5.134 11.308 -0.821 1.00 4.41 N ATOM 515 CA ALA B 150 -6.420 11.102 -0.239 1.00 55.10 C ATOM 516 C ALA B 150 -6.448 9.762 0.523 1.00 74.03 C ATOM 517 O ALA B 150 -6.781 9.699 1.697 1.00 33.30 O ATOM 518 CB ALA B 150 -7.503 11.142 -1.307 1.00 15.21 C ATOM 0 H ALA B 150 -5.047 10.993 -1.787 1.00 4.41 H new ATOM 0 HA ALA B 150 -6.618 11.906 0.470 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -8.477 10.983 -0.844 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -7.491 12.113 -1.801 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -7.318 10.358 -2.042 1.00 15.21 H new ATOM 524 N LEU B 151 -6.005 8.720 -0.159 1.00 70.43 N ATOM 525 CA LEU B 151 -6.045 7.321 0.325 1.00 60.43 C ATOM 526 C LEU B 151 -5.205 7.048 1.589 1.00 0.01 C ATOM 527 O LEU B 151 -5.439 6.071 2.291 1.00 1.42 O ATOM 528 CB LEU B 151 -5.615 6.364 -0.791 1.00 30.21 C ATOM 529 CG LEU B 151 -6.641 5.993 -1.887 1.00 35.52 C ATOM 530 CD1 LEU B 151 -7.811 5.220 -1.303 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.142 7.203 -2.663 1.00 54.11 C ATOM 0 H LEU B 151 -5.595 8.809 -1.089 1.00 70.43 H new ATOM 0 HA LEU B 151 -7.082 7.147 0.612 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -4.747 6.801 -1.285 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -5.282 5.438 -0.322 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.112 5.355 -2.595 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -8.516 4.973 -2.097 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -7.447 4.302 -0.842 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -8.311 5.830 -0.551 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -7.859 6.880 -3.418 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -7.625 7.900 -1.978 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -6.301 7.697 -3.149 1.00 54.11 H new ATOM 543 N SER B 152 -4.252 7.900 1.873 1.00 60.31 N ATOM 544 CA SER B 152 -3.359 7.761 3.015 1.00 74.51 C ATOM 545 C SER B 152 -4.137 7.755 4.350 1.00 11.20 C ATOM 546 O SER B 152 -3.637 7.248 5.369 1.00 33.33 O ATOM 547 CB SER B 152 -2.269 8.843 2.962 1.00 21.44 C ATOM 548 OG SER B 152 -1.264 8.659 3.955 1.00 22.11 O ATOM 0 H SER B 152 -4.065 8.730 1.310 1.00 60.31 H new ATOM 0 HA SER B 152 -2.863 6.792 2.960 1.00 74.51 H new ATOM 0 HB2 SER B 152 -1.805 8.838 1.976 1.00 21.44 H new ATOM 0 HB3 SER B 152 -2.728 9.823 3.093 1.00 21.44 H new ATOM 0 HG SER B 152 -0.594 9.371 3.879 1.00 22.11 H new ATOM 554 N ASN B 153 -5.373 8.295 4.327 1.00 64.24 N ATOM 555 CA ASN B 153 -6.277 8.302 5.502 1.00 44.31 C ATOM 556 C ASN B 153 -6.448 6.888 6.067 1.00 64.55 C ATOM 557 O ASN B 153 -6.690 6.717 7.253 1.00 64.23 O ATOM 558 CB ASN B 153 -7.675 8.834 5.148 1.00 63.41 C ATOM 559 CG ASN B 153 -7.714 10.267 4.662 1.00 23.31 C ATOM 560 OD1 ASN B 153 -6.876 11.101 5.023 1.00 40.43 O ATOM 561 ND2 ASN B 153 -8.688 10.573 3.850 1.00 50.30 N ATOM 0 H ASN B 153 -5.773 8.737 3.499 1.00 64.24 H new ATOM 0 HA ASN B 153 -5.813 8.957 6.239 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -8.106 8.194 4.378 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -8.313 8.748 6.028 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -8.775 11.525 3.493 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -9.363 9.861 3.572 1.00 50.30 H new ATOM 568 N ILE B 154 -6.313 5.886 5.197 1.00 75.13 N ATOM 569 CA ILE B 154 -6.399 4.475 5.571 1.00 55.41 C ATOM 570 C ILE B 154 -5.379 4.131 6.665 1.00 43.23 C ATOM 571 O ILE B 154 -5.723 3.562 7.693 1.00 31.12 O ATOM 572 CB ILE B 154 -6.146 3.567 4.325 1.00 3.11 C ATOM 573 CG1 ILE B 154 -7.276 3.714 3.282 1.00 50.30 C ATOM 574 CG2 ILE B 154 -5.915 2.102 4.702 1.00 43.33 C ATOM 575 CD1 ILE B 154 -8.652 3.325 3.779 1.00 21.43 C ATOM 0 H ILE B 154 -6.139 6.034 4.203 1.00 75.13 H new ATOM 0 HA ILE B 154 -7.402 4.294 5.957 1.00 55.41 H new ATOM 0 HB ILE B 154 -5.221 3.917 3.866 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -7.307 4.750 2.943 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -7.032 3.102 2.414 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -5.744 1.516 3.799 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -5.044 2.027 5.353 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -6.792 1.718 5.223 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -9.380 3.461 2.979 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -8.645 2.280 4.089 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -8.924 3.953 4.627 1.00 21.43 H new ATOM 587 N ALA B 155 -4.142 4.507 6.437 1.00 10.31 N ATOM 588 CA ALA B 155 -3.070 4.186 7.355 1.00 14.12 C ATOM 589 C ALA B 155 -2.984 5.206 8.481 1.00 64.41 C ATOM 590 O ALA B 155 -2.557 4.886 9.596 1.00 71.04 O ATOM 591 CB ALA B 155 -1.765 4.111 6.604 1.00 41.11 C ATOM 0 H ALA B 155 -3.850 5.040 5.618 1.00 10.31 H new ATOM 0 HA ALA B 155 -3.279 3.216 7.807 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -0.960 3.869 7.297 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -1.830 3.337 5.839 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -1.561 5.072 6.132 1.00 41.11 H new ATOM 597 N SER B 156 -3.385 6.437 8.179 1.00 4.52 N ATOM 598 CA SER B 156 -3.365 7.518 9.148 1.00 54.22 C ATOM 599 C SER B 156 -4.432 7.265 10.227 1.00 33.11 C ATOM 600 O SER B 156 -4.244 7.607 11.399 1.00 31.14 O ATOM 601 CB SER B 156 -3.602 8.859 8.431 1.00 51.15 C ATOM 602 OG SER B 156 -3.357 9.986 9.280 1.00 71.21 O ATOM 0 H SER B 156 -3.731 6.709 7.259 1.00 4.52 H new ATOM 0 HA SER B 156 -2.391 7.561 9.636 1.00 54.22 H new ATOM 0 HB2 SER B 156 -2.954 8.919 7.557 1.00 51.15 H new ATOM 0 HB3 SER B 156 -4.630 8.897 8.069 1.00 51.15 H new ATOM 0 HG SER B 156 -3.519 10.813 8.780 1.00 71.21 H new ATOM 608 N GLY B 157 -5.526 6.662 9.822 1.00 64.35 N ATOM 609 CA GLY B 157 -6.568 6.281 10.730 1.00 65.32 C ATOM 610 C GLY B 157 -6.712 4.797 10.706 1.00 30.23 C ATOM 611 O GLY B 157 -7.771 4.262 10.350 1.00 41.22 O ATOM 0 H GLY B 157 -5.713 6.424 8.848 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -6.332 6.620 11.739 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -7.507 6.755 10.446 1.00 65.32 H new ATOM 615 N GLY B 158 -5.647 4.134 11.071 1.00 4.51 N ATOM 616 CA GLY B 158 -5.577 2.716 10.992 1.00 1.13 C ATOM 617 C GLY B 158 -6.319 2.016 12.091 1.00 32.24 C ATOM 618 O GLY B 158 -5.729 1.631 13.097 1.00 23.13 O ATOM 0 H GLY B 158 -4.802 4.575 11.433 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -5.979 2.394 10.031 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -4.531 2.410 11.019 1.00 1.13 H new ATOM 622 N ASN B 159 -7.603 1.866 11.931 1.00 23.14 N ATOM 623 CA ASN B 159 -8.360 1.074 12.870 1.00 4.32 C ATOM 624 C ASN B 159 -8.886 -0.159 12.149 1.00 43.12 C ATOM 625 O ASN B 159 -8.201 -1.178 12.081 1.00 73.44 O ATOM 626 CB ASN B 159 -9.482 1.891 13.546 1.00 41.53 C ATOM 627 CG ASN B 159 -10.194 1.151 14.688 1.00 73.54 C ATOM 628 OD1 ASN B 159 -10.322 -0.080 14.697 1.00 53.51 O ATOM 629 ND2 ASN B 159 -10.643 1.891 15.659 1.00 13.35 N ATOM 0 H ASN B 159 -8.146 2.274 11.170 1.00 23.14 H new ATOM 0 HA ASN B 159 -7.710 0.756 13.685 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -9.059 2.817 13.935 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -10.219 2.169 12.793 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -11.114 1.459 16.454 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -10.524 2.903 15.626 1.00 13.35 H new ATOM 636 N GLU B 160 -10.037 -0.045 11.519 1.00 61.13 N ATOM 637 CA GLU B 160 -10.609 -1.162 10.783 1.00 44.33 C ATOM 638 C GLU B 160 -9.903 -1.288 9.444 1.00 21.45 C ATOM 639 O GLU B 160 -9.678 -2.373 8.921 1.00 55.12 O ATOM 640 CB GLU B 160 -12.098 -0.926 10.576 1.00 21.44 C ATOM 641 CG GLU B 160 -12.805 -2.001 9.790 1.00 75.15 C ATOM 642 CD GLU B 160 -14.263 -1.715 9.645 1.00 34.45 C ATOM 643 OE1 GLU B 160 -14.655 -0.959 8.729 1.00 51.14 O1- ATOM 644 OE2 GLU B 160 -15.051 -2.220 10.463 1.00 5.33 O ATOM 0 H GLU B 160 -10.597 0.807 11.500 1.00 61.13 H new ATOM 0 HA GLU B 160 -10.476 -2.086 11.346 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -12.576 -0.835 11.551 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -12.233 0.027 10.064 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -12.352 -2.087 8.802 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -12.671 -2.962 10.287 1.00 75.15 H new ATOM 651 N GLN B 161 -9.479 -0.165 8.956 1.00 55.22 N ATOM 652 CA GLN B 161 -8.841 -0.043 7.666 1.00 4.24 C ATOM 653 C GLN B 161 -7.434 -0.657 7.715 1.00 2.21 C ATOM 654 O GLN B 161 -6.873 -1.048 6.702 1.00 4.14 O ATOM 655 CB GLN B 161 -8.772 1.447 7.247 1.00 73.31 C ATOM 656 CG GLN B 161 -10.124 2.206 7.213 1.00 74.15 C ATOM 657 CD GLN B 161 -10.764 2.394 8.592 1.00 63.34 C ATOM 658 OE1 GLN B 161 -10.063 2.497 9.614 1.00 30.32 O ATOM 659 NE2 GLN B 161 -12.064 2.384 8.649 1.00 71.32 N ATOM 0 H GLN B 161 -9.566 0.722 9.451 1.00 55.22 H new ATOM 0 HA GLN B 161 -9.429 -0.584 6.924 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -8.103 1.966 7.933 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -8.320 1.505 6.257 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -9.969 3.185 6.759 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -10.818 1.663 6.572 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -12.611 2.298 7.793 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -12.536 2.462 9.550 1.00 71.32 H new ATOM 668 N LYS B 162 -6.914 -0.783 8.923 1.00 0.01 N ATOM 669 CA LYS B 162 -5.581 -1.304 9.159 1.00 53.04 C ATOM 670 C LYS B 162 -5.558 -2.840 9.119 1.00 54.42 C ATOM 671 O LYS B 162 -4.577 -3.432 8.731 1.00 41.24 O ATOM 672 CB LYS B 162 -5.073 -0.786 10.511 1.00 52.24 C ATOM 673 CG LYS B 162 -3.707 -1.266 10.929 1.00 72.31 C ATOM 674 CD LYS B 162 -3.334 -0.686 12.277 1.00 53.42 C ATOM 675 CE LYS B 162 -4.165 -1.248 13.430 1.00 52.21 C ATOM 676 NZ LYS B 162 -3.940 -2.696 13.651 1.00 22.01 N1+ ATOM 0 H LYS B 162 -7.411 -0.524 9.775 1.00 0.01 H new ATOM 0 HA LYS B 162 -4.922 -0.956 8.363 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -5.060 0.303 10.479 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -5.789 -1.074 11.281 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -3.697 -2.355 10.979 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -2.968 -0.974 10.183 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -2.279 -0.882 12.470 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -3.456 0.397 12.245 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -3.924 -0.704 14.344 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -5.222 -1.077 13.227 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -4.407 -2.989 14.533 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -4.335 -3.234 12.854 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -2.919 -2.882 13.722 1.00 22.01 H new ATOM 690 N GLN B 163 -6.634 -3.460 9.554 1.00 45.04 N ATOM 691 CA GLN B 163 -6.733 -4.933 9.583 1.00 54.43 C ATOM 692 C GLN B 163 -7.310 -5.473 8.257 1.00 43.34 C ATOM 693 O GLN B 163 -7.038 -6.610 7.852 1.00 51.54 O ATOM 694 CB GLN B 163 -7.595 -5.339 10.769 1.00 0.44 C ATOM 695 CG GLN B 163 -9.004 -4.832 10.654 1.00 12.45 C ATOM 696 CD GLN B 163 -9.669 -4.621 12.003 1.00 32.52 C ATOM 697 OE1 GLN B 163 -9.009 -4.313 13.000 1.00 71.21 O ATOM 698 NE2 GLN B 163 -10.961 -4.759 12.050 1.00 35.45 N ATOM 0 H GLN B 163 -7.465 -2.978 9.897 1.00 45.04 H new ATOM 0 HA GLN B 163 -5.739 -5.366 9.696 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -7.608 -6.426 10.849 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -7.148 -4.957 11.687 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -9.002 -3.891 10.104 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -9.593 -5.540 10.071 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -11.478 -5.014 11.208 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -11.458 -4.612 12.929 1.00 35.45 H new ATOM 707 N ALA B 164 -8.072 -4.603 7.586 1.00 52.32 N ATOM 708 CA ALA B 164 -8.773 -4.847 6.300 1.00 30.11 C ATOM 709 C ALA B 164 -7.853 -5.398 5.244 1.00 13.35 C ATOM 710 O ALA B 164 -8.259 -6.141 4.355 1.00 74.41 O ATOM 711 CB ALA B 164 -9.223 -3.529 5.815 1.00 12.31 C ATOM 0 H ALA B 164 -8.231 -3.658 7.935 1.00 52.32 H new ATOM 0 HA ALA B 164 -9.578 -5.562 6.470 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -9.747 -3.650 4.867 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -9.895 -3.082 6.547 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.359 -2.880 5.672 1.00 12.31 H new ATOM 717 N VAL B 165 -6.633 -4.990 5.347 1.00 3.02 N ATOM 718 CA VAL B 165 -5.547 -5.360 4.475 1.00 13.21 C ATOM 719 C VAL B 165 -5.474 -6.878 4.225 1.00 2.43 C ATOM 720 O VAL B 165 -5.168 -7.327 3.116 1.00 61.00 O ATOM 721 CB VAL B 165 -4.224 -4.924 5.134 1.00 33.10 C ATOM 722 CG1 VAL B 165 -4.149 -3.474 5.256 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.143 -5.444 6.517 1.00 41.10 C ATOM 0 H VAL B 165 -6.340 -4.350 6.085 1.00 3.02 H new ATOM 0 HA VAL B 165 -5.715 -4.869 3.516 1.00 13.21 H new ATOM 0 HB VAL B 165 -3.422 -5.309 4.504 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -3.205 -3.197 5.724 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -4.210 -3.022 4.266 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -4.977 -3.117 5.869 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.203 -5.128 6.970 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -4.977 -5.055 7.102 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -4.189 -6.533 6.500 1.00 41.10 H new ATOM 733 N LYS B 166 -5.793 -7.659 5.235 1.00 72.33 N ATOM 734 CA LYS B 166 -5.612 -9.070 5.146 1.00 62.53 C ATOM 735 C LYS B 166 -6.789 -9.713 4.453 1.00 61.12 C ATOM 736 O LYS B 166 -6.652 -10.730 3.761 1.00 13.14 O ATOM 737 CB LYS B 166 -5.353 -9.670 6.524 1.00 64.02 C ATOM 738 CG LYS B 166 -4.253 -8.938 7.291 1.00 21.20 C ATOM 739 CD LYS B 166 -3.050 -8.696 6.409 1.00 51.32 C ATOM 740 CE LYS B 166 -2.375 -10.013 6.012 1.00 50.03 C ATOM 741 NZ LYS B 166 -2.241 -10.966 7.152 1.00 65.44 N1+ ATOM 0 H LYS B 166 -6.177 -7.330 6.121 1.00 72.33 H new ATOM 0 HA LYS B 166 -4.730 -9.274 4.539 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -6.274 -9.644 7.106 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -5.076 -10.718 6.413 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -4.634 -7.987 7.662 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.959 -9.525 8.161 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -3.357 -8.158 5.512 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -2.335 -8.062 6.933 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -2.952 -10.485 5.217 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -1.386 -9.800 5.605 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -1.389 -11.547 7.020 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -2.163 -10.434 8.042 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -3.078 -11.582 7.189 1.00 65.44 H new ATOM 755 N GLU B 167 -7.929 -9.077 4.614 1.00 75.44 N ATOM 756 CA GLU B 167 -9.140 -9.440 3.973 1.00 33.13 C ATOM 757 C GLU B 167 -9.019 -9.131 2.473 1.00 4.33 C ATOM 758 O GLU B 167 -9.591 -9.802 1.625 1.00 61.22 O ATOM 759 CB GLU B 167 -10.231 -8.596 4.596 1.00 35.41 C ATOM 760 CG GLU B 167 -11.482 -9.358 4.862 1.00 14.32 C ATOM 761 CD GLU B 167 -12.115 -9.949 3.638 1.00 71.10 C ATOM 762 OE1 GLU B 167 -12.817 -9.221 2.894 1.00 34.35 O ATOM 763 OE2 GLU B 167 -11.934 -11.159 3.391 1.00 51.30 O1- ATOM 0 H GLU B 167 -8.024 -8.264 5.222 1.00 75.44 H new ATOM 0 HA GLU B 167 -9.362 -10.501 4.091 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.865 -8.173 5.532 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -10.456 -7.759 3.935 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -11.262 -10.160 5.567 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -12.201 -8.697 5.346 1.00 14.32 H new ATOM 770 N ALA B 168 -8.256 -8.101 2.171 1.00 51.34 N ATOM 771 CA ALA B 168 -8.033 -7.684 0.804 1.00 12.43 C ATOM 772 C ALA B 168 -6.965 -8.545 0.107 1.00 34.44 C ATOM 773 O ALA B 168 -7.096 -8.878 -1.073 1.00 25.22 O ATOM 774 CB ALA B 168 -7.634 -6.223 0.784 1.00 40.11 C ATOM 0 H ALA B 168 -7.774 -7.531 2.866 1.00 51.34 H new ATOM 0 HA ALA B 168 -8.962 -7.819 0.250 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.465 -5.906 -0.245 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.431 -5.622 1.223 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -6.719 -6.088 1.360 1.00 40.11 H new ATOM 780 N GLY B 169 -5.937 -8.921 0.836 1.00 34.33 N ATOM 781 CA GLY B 169 -4.875 -9.717 0.246 1.00 34.02 C ATOM 782 C GLY B 169 -3.595 -8.921 0.105 1.00 4.54 C ATOM 783 O GLY B 169 -2.890 -9.033 -0.891 1.00 31.44 O ATOM 0 H GLY B 169 -5.811 -8.695 1.823 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -4.692 -10.596 0.864 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -5.190 -10.077 -0.733 1.00 34.02 H new ATOM 787 N ALA B 170 -3.282 -8.145 1.140 1.00 35.41 N ATOM 788 CA ALA B 170 -2.142 -7.212 1.161 1.00 34.41 C ATOM 789 C ALA B 170 -0.798 -7.867 0.921 1.00 73.04 C ATOM 790 O ALA B 170 0.129 -7.202 0.488 1.00 1.24 O ATOM 791 CB ALA B 170 -2.127 -6.423 2.455 1.00 13.24 C ATOM 0 H ALA B 170 -3.819 -8.142 2.007 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.295 -6.537 0.319 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.279 -5.739 2.454 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.052 -5.854 2.545 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -2.039 -7.108 3.298 1.00 13.24 H new ATOM 797 N LEU B 171 -0.708 -9.158 1.177 1.00 61.22 N ATOM 798 CA LEU B 171 0.547 -9.890 1.051 1.00 71.22 C ATOM 799 C LEU B 171 1.129 -9.781 -0.363 1.00 54.15 C ATOM 800 O LEU B 171 2.250 -9.295 -0.539 1.00 23.24 O ATOM 801 CB LEU B 171 0.351 -11.353 1.434 1.00 35.44 C ATOM 802 CG LEU B 171 -0.232 -11.606 2.828 1.00 71.12 C ATOM 803 CD1 LEU B 171 -0.312 -13.086 3.106 1.00 70.51 C ATOM 804 CD2 LEU B 171 0.575 -10.898 3.907 1.00 11.20 C ATOM 0 H LEU B 171 -1.497 -9.731 1.477 1.00 61.22 H new ATOM 0 HA LEU B 171 1.262 -9.437 1.737 1.00 71.22 H new ATOM 0 HB2 LEU B 171 -0.305 -11.817 0.697 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.314 -11.859 1.367 1.00 35.44 H new ATOM 0 HG LEU B 171 -1.241 -11.193 2.848 1.00 71.12 H new ATOM 0 HD11 LEU B 171 -0.728 -13.247 4.100 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -0.952 -13.562 2.363 1.00 70.51 H new ATOM 0 HD13 LEU B 171 0.687 -13.520 3.056 1.00 70.51 H new ATOM 0 HD21 LEU B 171 0.133 -11.099 4.883 1.00 11.20 H new ATOM 0 HD22 LEU B 171 1.602 -11.263 3.891 1.00 11.20 H new ATOM 0 HD23 LEU B 171 0.569 -9.824 3.720 1.00 11.20 H new ATOM 816 N GLU B 172 0.342 -10.166 -1.362 1.00 61.41 N ATOM 817 CA GLU B 172 0.797 -10.143 -2.755 1.00 12.34 C ATOM 818 C GLU B 172 0.916 -8.707 -3.265 1.00 12.03 C ATOM 819 O GLU B 172 1.780 -8.391 -4.077 1.00 11.21 O ATOM 820 CB GLU B 172 -0.162 -10.931 -3.655 1.00 22.42 C ATOM 821 CG GLU B 172 -1.587 -10.396 -3.649 1.00 4.33 C ATOM 822 CD GLU B 172 -2.464 -11.050 -4.666 1.00 14.33 C ATOM 823 OE1 GLU B 172 -2.497 -10.580 -5.818 1.00 61.51 O ATOM 824 OE2 GLU B 172 -3.152 -12.029 -4.332 1.00 71.05 O1- ATOM 0 H GLU B 172 -0.614 -10.498 -1.237 1.00 61.41 H new ATOM 0 HA GLU B 172 1.780 -10.613 -2.789 1.00 12.34 H new ATOM 0 HB2 GLU B 172 0.218 -10.916 -4.677 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -0.173 -11.973 -3.334 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -2.019 -10.541 -2.659 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -1.566 -9.322 -3.833 1.00 4.33 H new ATOM 831 N LYS B 173 0.057 -7.855 -2.745 1.00 75.52 N ATOM 832 CA LYS B 173 -0.037 -6.474 -3.129 1.00 52.14 C ATOM 833 C LYS B 173 1.251 -5.754 -2.782 1.00 13.42 C ATOM 834 O LYS B 173 1.824 -5.040 -3.603 1.00 22.05 O ATOM 835 CB LYS B 173 -1.209 -5.866 -2.374 1.00 52.11 C ATOM 836 CG LYS B 173 -2.540 -6.569 -2.625 1.00 23.24 C ATOM 837 CD LYS B 173 -3.075 -6.358 -4.025 1.00 32.34 C ATOM 838 CE LYS B 173 -4.297 -7.210 -4.265 1.00 65.44 C ATOM 839 NZ LYS B 173 -4.903 -6.977 -5.588 1.00 43.00 N1+ ATOM 0 H LYS B 173 -0.612 -8.119 -2.022 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.194 -6.380 -4.204 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -0.992 -5.891 -1.306 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -1.305 -4.817 -2.656 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.417 -7.637 -2.448 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -3.275 -6.209 -1.905 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.325 -5.307 -4.169 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -2.304 -6.606 -4.755 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -4.025 -8.262 -4.175 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -5.036 -7.004 -3.490 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -5.228 -7.882 -5.985 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -5.713 -6.331 -5.490 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -4.197 -6.553 -6.223 1.00 43.00 H new ATOM 853 N LEU B 174 1.711 -6.005 -1.572 1.00 32.33 N ATOM 854 CA LEU B 174 2.932 -5.434 -1.041 1.00 44.15 C ATOM 855 C LEU B 174 4.104 -5.867 -1.933 1.00 4.04 C ATOM 856 O LEU B 174 4.935 -5.052 -2.339 1.00 43.44 O ATOM 857 CB LEU B 174 3.102 -5.973 0.400 1.00 22.15 C ATOM 858 CG LEU B 174 4.076 -5.274 1.371 1.00 32.13 C ATOM 859 CD1 LEU B 174 3.951 -5.916 2.732 1.00 13.11 C ATOM 860 CD2 LEU B 174 5.523 -5.357 0.913 1.00 43.15 C ATOM 0 H LEU B 174 1.235 -6.625 -0.917 1.00 32.33 H new ATOM 0 HA LEU B 174 2.900 -4.345 -1.023 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.117 -5.967 0.867 1.00 22.15 H new ATOM 0 HB3 LEU B 174 3.412 -7.015 0.323 1.00 22.15 H new ATOM 0 HG LEU B 174 3.807 -4.218 1.404 1.00 32.13 H new ATOM 0 HD11 LEU B 174 4.635 -5.430 3.428 1.00 13.11 H new ATOM 0 HD12 LEU B 174 2.928 -5.807 3.093 1.00 13.11 H new ATOM 0 HD13 LEU B 174 4.199 -6.975 2.659 1.00 13.11 H new ATOM 0 HD21 LEU B 174 6.163 -4.849 1.634 1.00 43.15 H new ATOM 0 HD22 LEU B 174 5.821 -6.403 0.837 1.00 43.15 H new ATOM 0 HD23 LEU B 174 5.624 -4.879 -0.062 1.00 43.15 H new ATOM 872 N GLU B 175 4.123 -7.146 -2.272 1.00 64.22 N ATOM 873 CA GLU B 175 5.144 -7.735 -3.034 1.00 34.22 C ATOM 874 C GLU B 175 5.216 -7.198 -4.473 1.00 30.54 C ATOM 875 O GLU B 175 6.295 -7.196 -5.072 1.00 40.22 O ATOM 876 CB GLU B 175 4.956 -9.221 -2.989 1.00 31.20 C ATOM 877 CG GLU B 175 5.201 -9.820 -1.616 1.00 63.55 C ATOM 878 CD GLU B 175 5.045 -11.312 -1.596 1.00 72.13 C ATOM 879 OE1 GLU B 175 5.949 -12.015 -2.088 1.00 5.21 O ATOM 880 OE2 GLU B 175 4.040 -11.821 -1.055 1.00 12.05 O1- ATOM 0 H GLU B 175 3.390 -7.801 -2.001 1.00 64.22 H new ATOM 0 HA GLU B 175 6.108 -7.469 -2.600 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.941 -9.461 -3.306 1.00 31.20 H new ATOM 0 HB3 GLU B 175 5.632 -9.687 -3.706 1.00 31.20 H new ATOM 0 HG2 GLU B 175 6.207 -9.560 -1.285 1.00 63.55 H new ATOM 0 HG3 GLU B 175 4.506 -9.377 -0.902 1.00 63.55 H new ATOM 887 N GLN B 176 4.090 -6.748 -5.020 1.00 53.05 N ATOM 888 CA GLN B 176 4.080 -6.133 -6.336 1.00 51.12 C ATOM 889 C GLN B 176 4.888 -4.864 -6.300 1.00 15.23 C ATOM 890 O GLN B 176 5.851 -4.683 -7.062 1.00 25.45 O ATOM 891 CB GLN B 176 2.670 -5.768 -6.751 1.00 22.05 C ATOM 892 CG GLN B 176 1.747 -6.925 -7.010 1.00 3.54 C ATOM 893 CD GLN B 176 2.238 -7.819 -8.129 1.00 35.11 C ATOM 894 OE1 GLN B 176 2.948 -8.790 -7.901 1.00 25.33 O ATOM 895 NE2 GLN B 176 1.906 -7.477 -9.342 1.00 12.14 N ATOM 0 H GLN B 176 3.176 -6.799 -4.570 1.00 53.05 H new ATOM 0 HA GLN B 176 4.499 -6.847 -7.045 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.231 -5.145 -5.972 1.00 22.05 H new ATOM 0 HB3 GLN B 176 2.723 -5.160 -7.654 1.00 22.05 H new ATOM 0 HG2 GLN B 176 1.643 -7.513 -6.098 1.00 3.54 H new ATOM 0 HG3 GLN B 176 0.756 -6.546 -7.260 1.00 3.54 H new ATOM 0 HE21 GLN B 176 1.313 -6.662 -9.498 1.00 12.14 H new ATOM 0 HE22 GLN B 176 2.239 -8.024 -10.136 1.00 12.14 H new ATOM 904 N LEU B 177 4.502 -3.998 -5.395 1.00 55.23 N ATOM 905 CA LEU B 177 5.131 -2.731 -5.211 1.00 50.03 C ATOM 906 C LEU B 177 6.564 -2.830 -4.690 1.00 2.24 C ATOM 907 O LEU B 177 7.287 -1.858 -4.723 1.00 11.31 O ATOM 908 CB LEU B 177 4.275 -1.801 -4.385 1.00 4.33 C ATOM 909 CG LEU B 177 3.916 -0.464 -5.045 1.00 13.40 C ATOM 910 CD1 LEU B 177 5.141 0.234 -5.585 1.00 11.02 C ATOM 911 CD2 LEU B 177 2.920 -0.668 -6.152 1.00 54.44 C ATOM 0 H LEU B 177 3.724 -4.166 -4.757 1.00 55.23 H new ATOM 0 HA LEU B 177 5.223 -2.290 -6.204 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.350 -2.319 -4.130 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.794 -1.595 -3.449 1.00 4.33 H new ATOM 0 HG LEU B 177 3.472 0.168 -4.276 1.00 13.40 H new ATOM 0 HD11 LEU B 177 4.849 1.178 -6.046 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.838 0.429 -4.770 1.00 11.02 H new ATOM 0 HD13 LEU B 177 5.622 -0.400 -6.330 1.00 11.02 H new ATOM 0 HD21 LEU B 177 2.679 0.293 -6.606 1.00 54.44 H new ATOM 0 HD22 LEU B 177 3.345 -1.330 -6.907 1.00 54.44 H new ATOM 0 HD23 LEU B 177 2.012 -1.115 -5.747 1.00 54.44 H new ATOM 923 N GLN B 178 6.964 -3.980 -4.177 1.00 31.43 N ATOM 924 CA GLN B 178 8.369 -4.210 -3.768 1.00 34.22 C ATOM 925 C GLN B 178 9.372 -3.946 -4.902 1.00 43.53 C ATOM 926 O GLN B 178 10.563 -3.791 -4.663 1.00 33.40 O ATOM 927 CB GLN B 178 8.566 -5.612 -3.213 1.00 22.20 C ATOM 928 CG GLN B 178 8.092 -5.765 -1.791 1.00 63.12 C ATOM 929 CD GLN B 178 8.914 -4.918 -0.839 1.00 52.34 C ATOM 930 OE1 GLN B 178 8.601 -3.766 -0.577 1.00 3.53 O ATOM 931 NE2 GLN B 178 9.975 -5.482 -0.329 1.00 12.22 N ATOM 0 H GLN B 178 6.348 -4.779 -4.027 1.00 31.43 H new ATOM 0 HA GLN B 178 8.571 -3.486 -2.978 1.00 34.22 H new ATOM 0 HB2 GLN B 178 8.033 -6.323 -3.844 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.624 -5.870 -3.265 1.00 22.20 H new ATOM 0 HG2 GLN B 178 7.043 -5.477 -1.723 1.00 63.12 H new ATOM 0 HG3 GLN B 178 8.155 -6.812 -1.496 1.00 63.12 H new ATOM 0 HE21 GLN B 178 10.206 -6.446 -0.570 1.00 12.22 H new ATOM 0 HE22 GLN B 178 10.573 -4.959 0.311 1.00 12.22 H new ATOM 940 N SER B 179 8.881 -3.869 -6.117 1.00 11.02 N ATOM 941 CA SER B 179 9.697 -3.571 -7.266 1.00 25.41 C ATOM 942 C SER B 179 9.817 -2.038 -7.483 1.00 10.24 C ATOM 943 O SER B 179 10.303 -1.580 -8.516 1.00 40.01 O ATOM 944 CB SER B 179 9.066 -4.236 -8.472 1.00 32.12 C ATOM 945 OG SER B 179 8.837 -5.614 -8.202 1.00 64.32 O ATOM 0 H SER B 179 7.895 -4.013 -6.335 1.00 11.02 H new ATOM 0 HA SER B 179 10.707 -3.951 -7.112 1.00 25.41 H new ATOM 0 HB2 SER B 179 8.125 -3.744 -8.719 1.00 32.12 H new ATOM 0 HB3 SER B 179 9.718 -4.130 -9.339 1.00 32.12 H new ATOM 0 HG SER B 179 8.427 -6.037 -8.985 1.00 64.32 H new ATOM 951 N HIS B 180 9.379 -1.277 -6.492 1.00 24.01 N ATOM 952 CA HIS B 180 9.403 0.197 -6.526 1.00 14.12 C ATOM 953 C HIS B 180 10.809 0.755 -6.650 1.00 13.51 C ATOM 954 O HIS B 180 11.761 0.227 -6.082 1.00 60.24 O ATOM 955 CB HIS B 180 8.719 0.826 -5.274 1.00 1.42 C ATOM 956 CG HIS B 180 9.404 0.564 -3.954 1.00 74.51 C ATOM 957 ND1 HIS B 180 9.463 -0.551 -3.189 1.00 63.40 N flip ATOM 958 CD2 HIS B 180 10.105 1.522 -3.265 1.00 44.44 C flip ATOM 959 CE1 HIS B 180 10.185 -0.247 -2.078 1.00 71.54 C flip ATOM 960 NE2 HIS B 180 10.557 1.001 -2.152 1.00 34.33 N flip ATOM 0 H HIS B 180 8.991 -1.658 -5.629 1.00 24.01 H new ATOM 0 HA HIS B 180 8.838 0.471 -7.417 1.00 14.12 H new ATOM 0 HB2 HIS B 180 8.654 1.904 -5.421 1.00 1.42 H new ATOM 0 HB3 HIS B 180 7.698 0.450 -5.213 1.00 1.42 H new ATOM 0 HD1 HIS B 180 9.042 -1.454 -3.406 1.00 63.40 H new ATOM 0 HD2 HIS B 180 10.259 2.541 -3.589 1.00 44.44 H new ATOM 0 HE1 HIS B 180 10.413 -0.926 -1.269 1.00 71.54 H new ATOM 969 N GLU B 181 10.908 1.815 -7.367 1.00 2.23 N ATOM 970 CA GLU B 181 12.129 2.544 -7.522 1.00 3.54 C ATOM 971 C GLU B 181 11.989 3.842 -6.747 1.00 21.45 C ATOM 972 O GLU B 181 12.973 4.402 -6.241 1.00 41.00 O ATOM 973 CB GLU B 181 12.383 2.812 -9.003 1.00 22.41 C ATOM 974 CG GLU B 181 12.608 1.546 -9.815 1.00 21.45 C ATOM 975 CD GLU B 181 12.719 1.810 -11.287 1.00 4.11 C ATOM 976 OE1 GLU B 181 13.770 2.303 -11.744 1.00 34.25 O1- ATOM 977 OE2 GLU B 181 11.753 1.532 -12.024 1.00 21.44 O ATOM 0 H GLU B 181 10.123 2.217 -7.880 1.00 2.23 H new ATOM 0 HA GLU B 181 12.978 1.977 -7.139 1.00 3.54 H new ATOM 0 HB2 GLU B 181 11.533 3.355 -9.418 1.00 22.41 H new ATOM 0 HB3 GLU B 181 13.254 3.459 -9.103 1.00 22.41 H new ATOM 0 HG2 GLU B 181 13.518 1.055 -9.469 1.00 21.45 H new ATOM 0 HG3 GLU B 181 11.785 0.854 -9.636 1.00 21.45 H new ATOM 984 N ASN B 182 10.739 4.275 -6.622 1.00 1.10 N ATOM 985 CA ASN B 182 10.364 5.495 -5.911 1.00 51.53 C ATOM 986 C ASN B 182 10.652 5.384 -4.449 1.00 31.02 C ATOM 987 O ASN B 182 10.332 4.374 -3.768 1.00 72.11 O ATOM 988 CB ASN B 182 8.897 5.840 -6.171 1.00 70.24 C ATOM 989 CG ASN B 182 8.465 7.174 -5.597 1.00 71.13 C ATOM 990 OD1 ASN B 182 8.065 7.257 -4.452 1.00 53.24 O ATOM 991 ND2 ASN B 182 8.527 8.209 -6.386 1.00 41.44 N ATOM 0 H ASN B 182 9.941 3.779 -7.019 1.00 1.10 H new ATOM 0 HA ASN B 182 10.974 6.313 -6.296 1.00 51.53 H new ATOM 0 HB2 ASN B 182 8.721 5.845 -7.247 1.00 70.24 H new ATOM 0 HB3 ASN B 182 8.270 5.055 -5.749 1.00 70.24 H new ATOM 0 HD21 ASN B 182 8.234 9.126 -6.048 1.00 41.44 H new ATOM 0 HD22 ASN B 182 8.868 8.102 -7.341 1.00 41.44 H new ATOM 998 N GLU B 183 11.220 6.447 -3.985 1.00 21.41 N ATOM 999 CA GLU B 183 11.746 6.585 -2.693 1.00 75.53 C ATOM 1000 C GLU B 183 10.644 6.862 -1.653 1.00 53.13 C ATOM 1001 O GLU B 183 10.780 6.521 -0.484 1.00 62.23 O ATOM 1002 CB GLU B 183 12.749 7.721 -2.758 1.00 4.41 C ATOM 1003 CG GLU B 183 12.165 9.119 -2.530 1.00 71.12 C ATOM 1004 CD GLU B 183 13.175 10.230 -2.685 1.00 70.35 C ATOM 1005 OE1 GLU B 183 13.914 10.511 -1.724 1.00 74.32 O ATOM 1006 OE2 GLU B 183 13.236 10.863 -3.761 1.00 10.34 O1- ATOM 0 H GLU B 183 11.330 7.291 -4.547 1.00 21.41 H new ATOM 0 HA GLU B 183 12.224 5.660 -2.371 1.00 75.53 H new ATOM 0 HB2 GLU B 183 13.525 7.543 -2.013 1.00 4.41 H new ATOM 0 HB3 GLU B 183 13.233 7.702 -3.734 1.00 4.41 H new ATOM 0 HG2 GLU B 183 11.348 9.281 -3.233 1.00 71.12 H new ATOM 0 HG3 GLU B 183 11.737 9.166 -1.529 1.00 71.12 H new ATOM 1013 N LYS B 184 9.548 7.443 -2.096 1.00 31.52 N ATOM 1014 CA LYS B 184 8.466 7.801 -1.208 1.00 55.01 C ATOM 1015 C LYS B 184 7.643 6.575 -0.913 1.00 72.22 C ATOM 1016 O LYS B 184 7.181 6.372 0.215 1.00 13.24 O ATOM 1017 CB LYS B 184 7.583 8.860 -1.848 1.00 13.15 C ATOM 1018 CG LYS B 184 8.296 10.146 -2.202 1.00 23.11 C ATOM 1019 CD LYS B 184 7.379 11.069 -2.975 1.00 51.20 C ATOM 1020 CE LYS B 184 8.059 12.379 -3.306 1.00 41.21 C ATOM 1021 NZ LYS B 184 7.209 13.246 -4.154 1.00 13.42 N1+ ATOM 0 H LYS B 184 9.384 7.678 -3.075 1.00 31.52 H new ATOM 0 HA LYS B 184 8.882 8.203 -0.284 1.00 55.01 H new ATOM 0 HB2 LYS B 184 7.139 8.445 -2.753 1.00 13.15 H new ATOM 0 HB3 LYS B 184 6.763 9.090 -1.167 1.00 13.15 H new ATOM 0 HG2 LYS B 184 8.637 10.641 -1.293 1.00 23.11 H new ATOM 0 HG3 LYS B 184 9.183 9.925 -2.796 1.00 23.11 H new ATOM 0 HD2 LYS B 184 7.062 10.580 -3.896 1.00 51.20 H new ATOM 0 HD3 LYS B 184 6.480 11.263 -2.391 1.00 51.20 H new ATOM 0 HE2 LYS B 184 8.305 12.904 -2.383 1.00 41.21 H new ATOM 0 HE3 LYS B 184 9.000 12.180 -3.819 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 7.712 14.133 -4.358 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 6.995 12.757 -5.046 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 6.322 13.458 -3.654 1.00 13.42 H new ATOM 1035 N ILE B 185 7.518 5.727 -1.928 1.00 60.21 N ATOM 1036 CA ILE B 185 6.736 4.503 -1.855 1.00 75.21 C ATOM 1037 C ILE B 185 7.269 3.538 -0.762 1.00 0.43 C ATOM 1038 O ILE B 185 6.544 2.659 -0.263 1.00 60.43 O ATOM 1039 CB ILE B 185 6.659 3.816 -3.238 1.00 72.20 C ATOM 1040 CG1 ILE B 185 5.891 4.726 -4.197 1.00 53.13 C ATOM 1041 CG2 ILE B 185 5.991 2.459 -3.139 1.00 64.03 C ATOM 1042 CD1 ILE B 185 5.665 4.144 -5.566 1.00 52.31 C ATOM 0 H ILE B 185 7.963 5.874 -2.834 1.00 60.21 H new ATOM 0 HA ILE B 185 5.722 4.776 -1.562 1.00 75.21 H new ATOM 0 HB ILE B 185 7.669 3.653 -3.614 1.00 72.20 H new ATOM 0 HG12 ILE B 185 4.924 4.965 -3.754 1.00 53.13 H new ATOM 0 HG13 ILE B 185 6.435 5.665 -4.301 1.00 53.13 H new ATOM 0 HG21 ILE B 185 5.951 2.000 -4.127 1.00 64.03 H new ATOM 0 HG22 ILE B 185 6.562 1.821 -2.465 1.00 64.03 H new ATOM 0 HG23 ILE B 185 4.978 2.579 -2.754 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.113 4.857 -6.178 1.00 52.31 H new ATOM 0 HD12 ILE B 185 6.626 3.931 -6.034 1.00 52.31 H new ATOM 0 HD13 ILE B 185 5.092 3.221 -5.479 1.00 52.31 H new ATOM 1054 N GLN B 186 8.546 3.727 -0.401 1.00 51.04 N ATOM 1055 CA GLN B 186 9.208 3.017 0.715 1.00 13.34 C ATOM 1056 C GLN B 186 8.315 2.955 1.957 1.00 43.21 C ATOM 1057 O GLN B 186 8.320 1.952 2.684 1.00 14.42 O ATOM 1058 CB GLN B 186 10.459 3.775 1.113 1.00 3.31 C ATOM 1059 CG GLN B 186 11.715 3.529 0.301 1.00 30.13 C ATOM 1060 CD GLN B 186 12.305 2.154 0.541 1.00 33.34 C ATOM 1061 OE1 GLN B 186 12.132 1.568 1.609 1.00 41.14 O ATOM 1062 NE2 GLN B 186 13.053 1.673 -0.396 1.00 12.44 N ATOM 0 H GLN B 186 9.161 4.385 -0.879 1.00 51.04 H new ATOM 0 HA GLN B 186 9.429 2.006 0.372 1.00 13.34 H new ATOM 0 HB2 GLN B 186 10.234 4.841 1.070 1.00 3.31 H new ATOM 0 HB3 GLN B 186 10.679 3.537 2.154 1.00 3.31 H new ATOM 0 HG2 GLN B 186 11.486 3.642 -0.759 1.00 30.13 H new ATOM 0 HG3 GLN B 186 12.458 4.287 0.549 1.00 30.13 H new ATOM 0 HE21 GLN B 186 13.172 2.188 -1.268 1.00 12.44 H new ATOM 0 HE22 GLN B 186 13.524 0.778 -0.264 1.00 12.44 H new ATOM 1071 N LYS B 187 7.563 4.033 2.193 1.00 22.52 N ATOM 1072 CA LYS B 187 6.705 4.128 3.349 1.00 74.33 C ATOM 1073 C LYS B 187 5.554 3.160 3.219 1.00 72.42 C ATOM 1074 O LYS B 187 5.429 2.263 3.997 1.00 44.24 O ATOM 1075 CB LYS B 187 6.116 5.521 3.470 1.00 51.52 C ATOM 1076 CG LYS B 187 7.107 6.671 3.460 1.00 61.53 C ATOM 1077 CD LYS B 187 6.405 8.008 3.701 1.00 22.21 C ATOM 1078 CE LYS B 187 5.153 8.185 2.824 1.00 31.44 C ATOM 1079 NZ LYS B 187 5.418 8.111 1.374 1.00 31.33 N1+ ATOM 0 H LYS B 187 7.540 4.852 1.586 1.00 22.52 H new ATOM 0 HA LYS B 187 7.309 3.899 4.227 1.00 74.33 H new ATOM 0 HB2 LYS B 187 5.413 5.668 2.650 1.00 51.52 H new ATOM 0 HB3 LYS B 187 5.542 5.571 4.395 1.00 51.52 H new ATOM 0 HG2 LYS B 187 7.863 6.510 4.229 1.00 61.53 H new ATOM 0 HG3 LYS B 187 7.627 6.698 2.503 1.00 61.53 H new ATOM 0 HD2 LYS B 187 6.122 8.082 4.751 1.00 22.21 H new ATOM 0 HD3 LYS B 187 7.102 8.822 3.501 1.00 22.21 H new ATOM 0 HE2 LYS B 187 4.425 7.418 3.089 1.00 31.44 H new ATOM 0 HE3 LYS B 187 4.697 9.149 3.051 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 5.414 9.070 0.971 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 6.347 7.671 1.213 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 4.680 7.540 0.915 1.00 31.33 H new ATOM 1093 N GLU B 188 4.750 3.364 2.196 1.00 1.40 N ATOM 1094 CA GLU B 188 3.551 2.566 1.899 1.00 41.11 C ATOM 1095 C GLU B 188 3.803 1.060 1.847 1.00 55.30 C ATOM 1096 O GLU B 188 3.065 0.295 2.486 1.00 1.32 O ATOM 1097 CB GLU B 188 2.868 3.070 0.625 1.00 0.21 C ATOM 1098 CG GLU B 188 2.063 4.367 0.803 1.00 71.14 C ATOM 1099 CD GLU B 188 2.819 5.488 1.499 1.00 11.41 C ATOM 1100 OE1 GLU B 188 3.923 5.848 1.053 1.00 31.44 O ATOM 1101 OE2 GLU B 188 2.302 6.024 2.506 1.00 62.41 O1- ATOM 0 H GLU B 188 4.907 4.111 1.519 1.00 1.40 H new ATOM 0 HA GLU B 188 2.874 2.710 2.741 1.00 41.11 H new ATOM 0 HB2 GLU B 188 3.628 3.231 -0.140 1.00 0.21 H new ATOM 0 HB3 GLU B 188 2.201 2.292 0.253 1.00 0.21 H new ATOM 0 HG2 GLU B 188 1.741 4.717 -0.178 1.00 71.14 H new ATOM 0 HG3 GLU B 188 1.161 4.145 1.374 1.00 71.14 H new ATOM 1108 N ALA B 189 4.814 0.630 1.092 1.00 22.15 N ATOM 1109 CA ALA B 189 5.203 -0.790 1.061 1.00 34.34 C ATOM 1110 C ALA B 189 5.455 -1.331 2.491 1.00 10.01 C ATOM 1111 O ALA B 189 4.973 -2.399 2.866 1.00 70.11 O ATOM 1112 CB ALA B 189 6.441 -0.977 0.191 1.00 52.44 C ATOM 0 H ALA B 189 5.378 1.235 0.496 1.00 22.15 H new ATOM 0 HA ALA B 189 4.381 -1.360 0.629 1.00 34.34 H new ATOM 0 HB1 ALA B 189 6.719 -2.031 0.176 1.00 52.44 H new ATOM 0 HB2 ALA B 189 6.226 -0.644 -0.824 1.00 52.44 H new ATOM 0 HB3 ALA B 189 7.264 -0.390 0.599 1.00 52.44 H new ATOM 1118 N GLN B 190 6.161 -0.553 3.291 1.00 64.45 N ATOM 1119 CA GLN B 190 6.463 -0.922 4.669 1.00 73.23 C ATOM 1120 C GLN B 190 5.282 -0.701 5.600 1.00 61.30 C ATOM 1121 O GLN B 190 5.193 -1.339 6.638 1.00 21.21 O ATOM 1122 CB GLN B 190 7.676 -0.150 5.168 1.00 2.33 C ATOM 1123 CG GLN B 190 9.005 -0.833 4.916 1.00 20.12 C ATOM 1124 CD GLN B 190 9.481 -1.653 6.109 1.00 2.31 C ATOM 1125 OE1 GLN B 190 8.569 -2.172 6.894 1.00 32.22 O flip ATOM 1126 NE2 GLN B 190 10.685 -1.796 6.331 1.00 62.14 N flip ATOM 0 H GLN B 190 6.542 0.350 3.009 1.00 64.45 H new ATOM 0 HA GLN B 190 6.684 -1.989 4.674 1.00 73.23 H new ATOM 0 HB2 GLN B 190 7.689 0.829 4.690 1.00 2.33 H new ATOM 0 HB3 GLN B 190 7.567 0.020 6.239 1.00 2.33 H new ATOM 0 HG2 GLN B 190 8.915 -1.483 4.046 1.00 20.12 H new ATOM 0 HG3 GLN B 190 9.756 -0.080 4.675 1.00 20.12 H new ATOM 0 HE21 GLN B 190 11.372 -1.380 5.702 1.00 62.14 H new ATOM 0 HE22 GLN B 190 10.994 -2.330 7.143 1.00 62.14 H new ATOM 1135 N GLU B 191 4.396 0.188 5.215 1.00 20.43 N ATOM 1136 CA GLU B 191 3.226 0.559 5.986 1.00 21.04 C ATOM 1137 C GLU B 191 2.327 -0.640 6.194 1.00 11.53 C ATOM 1138 O GLU B 191 2.133 -1.071 7.313 1.00 43.14 O ATOM 1139 CB GLU B 191 2.450 1.676 5.264 1.00 13.23 C ATOM 1140 CG GLU B 191 1.265 2.239 6.033 1.00 73.14 C ATOM 1141 CD GLU B 191 1.682 3.007 7.257 1.00 25.30 C ATOM 1142 OE1 GLU B 191 2.036 2.398 8.264 1.00 14.54 O1- ATOM 1143 OE2 GLU B 191 1.697 4.245 7.218 1.00 63.00 O ATOM 0 H GLU B 191 4.469 0.690 4.330 1.00 20.43 H new ATOM 0 HA GLU B 191 3.554 0.923 6.960 1.00 21.04 H new ATOM 0 HB2 GLU B 191 3.139 2.491 5.042 1.00 13.23 H new ATOM 0 HB3 GLU B 191 2.093 1.290 4.309 1.00 13.23 H new ATOM 0 HG2 GLU B 191 0.689 2.892 5.378 1.00 73.14 H new ATOM 0 HG3 GLU B 191 0.607 1.422 6.328 1.00 73.14 H new ATOM 1150 N ALA B 192 1.839 -1.217 5.102 1.00 12.05 N ATOM 1151 CA ALA B 192 0.917 -2.362 5.192 1.00 52.44 C ATOM 1152 C ALA B 192 1.618 -3.563 5.797 1.00 63.31 C ATOM 1153 O ALA B 192 0.994 -4.362 6.481 1.00 62.12 O ATOM 1154 CB ALA B 192 0.335 -2.710 3.823 1.00 12.11 C ATOM 0 H ALA B 192 2.058 -0.921 4.151 1.00 12.05 H new ATOM 0 HA ALA B 192 0.091 -2.079 5.844 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.342 -3.559 3.920 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -0.212 -1.852 3.432 1.00 12.11 H new ATOM 0 HB3 ALA B 192 1.143 -2.967 3.139 1.00 12.11 H new ATOM 1160 N LEU B 193 2.931 -3.635 5.568 1.00 21.32 N ATOM 1161 CA LEU B 193 3.794 -4.688 6.067 1.00 65.15 C ATOM 1162 C LEU B 193 3.665 -4.740 7.562 1.00 0.51 C ATOM 1163 O LEU B 193 3.292 -5.747 8.150 1.00 31.01 O ATOM 1164 CB LEU B 193 5.235 -4.300 5.695 1.00 24.10 C ATOM 1165 CG LEU B 193 6.357 -5.314 5.907 1.00 35.55 C ATOM 1166 CD1 LEU B 193 7.456 -5.067 4.888 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.938 -5.117 7.283 1.00 3.03 C ATOM 0 H LEU B 193 3.430 -2.939 5.014 1.00 21.32 H new ATOM 0 HA LEU B 193 3.531 -5.658 5.646 1.00 65.15 H new ATOM 0 HB2 LEU B 193 5.238 -4.022 4.641 1.00 24.10 H new ATOM 0 HB3 LEU B 193 5.490 -3.405 6.261 1.00 24.10 H new ATOM 0 HG LEU B 193 5.962 -6.324 5.798 1.00 35.55 H new ATOM 0 HD11 LEU B 193 8.259 -5.789 5.036 1.00 41.22 H new ATOM 0 HD12 LEU B 193 7.051 -5.177 3.882 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.848 -4.058 5.013 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.741 -5.836 7.445 1.00 3.03 H new ATOM 0 HD22 LEU B 193 7.334 -4.105 7.369 1.00 3.03 H new ATOM 0 HD23 LEU B 193 6.160 -5.267 8.031 1.00 3.03 H new ATOM 1179 N GLU B 194 3.957 -3.624 8.128 1.00 32.42 N ATOM 1180 CA GLU B 194 3.949 -3.358 9.447 1.00 1.13 C ATOM 1181 C GLU B 194 2.567 -3.480 10.056 1.00 25.31 C ATOM 1182 O GLU B 194 2.336 -4.232 10.997 1.00 45.10 O ATOM 1183 CB GLU B 194 4.380 -1.936 9.488 1.00 42.50 C ATOM 1184 CG GLU B 194 4.262 -1.390 10.819 1.00 61.52 C ATOM 1185 CD GLU B 194 4.918 -0.066 11.005 1.00 43.35 C ATOM 1186 OE1 GLU B 194 6.112 -0.013 11.317 1.00 14.30 O1- ATOM 1187 OE2 GLU B 194 4.254 0.958 10.840 1.00 73.13 O ATOM 0 H GLU B 194 4.233 -2.810 7.579 1.00 32.42 H new ATOM 0 HA GLU B 194 4.577 -4.050 10.008 1.00 1.13 H new ATOM 0 HB2 GLU B 194 5.414 -1.857 9.151 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.774 -1.350 8.797 1.00 42.50 H new ATOM 0 HG2 GLU B 194 3.205 -1.295 11.066 1.00 61.52 H new ATOM 0 HG3 GLU B 194 4.693 -2.097 11.528 1.00 61.52 H new ATOM 1194 N LYS B 195 1.697 -2.710 9.516 1.00 35.45 N ATOM 1195 CA LYS B 195 0.387 -2.510 9.996 1.00 0.22 C ATOM 1196 C LYS B 195 -0.513 -3.739 10.033 1.00 34.32 C ATOM 1197 O LYS B 195 -1.483 -3.746 10.788 1.00 24.42 O ATOM 1198 CB LYS B 195 -0.252 -1.373 9.250 1.00 52.22 C ATOM 1199 CG LYS B 195 0.293 0.021 9.576 1.00 23.11 C ATOM 1200 CD LYS B 195 0.197 0.336 11.065 1.00 42.32 C ATOM 1201 CE LYS B 195 0.573 1.781 11.374 1.00 61.10 C ATOM 1202 NZ LYS B 195 1.903 2.145 10.864 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.897 -2.170 8.674 1.00 35.45 H new ATOM 0 HA LYS B 195 0.499 -2.261 11.051 1.00 0.22 H new ATOM 0 HB2 LYS B 195 -0.132 -1.550 8.181 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -1.322 -1.383 9.456 1.00 52.22 H new ATOM 0 HG2 LYS B 195 1.333 0.088 9.257 1.00 23.11 H new ATOM 0 HG3 LYS B 195 -0.262 0.769 9.010 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -0.819 0.145 11.410 1.00 42.32 H new ATOM 0 HD3 LYS B 195 0.853 -0.335 11.619 1.00 42.32 H new ATOM 0 HE2 LYS B 195 -0.173 2.447 10.939 1.00 61.10 H new ATOM 0 HE3 LYS B 195 0.548 1.936 12.453 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 2.294 2.920 11.437 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 2.534 1.320 10.920 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 1.823 2.453 9.874 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.238 -4.761 9.244 1.00 42.45 N ATOM 1217 CA LEU B 196 -1.020 -5.922 9.313 1.00 65.11 C ATOM 1218 C LEU B 196 -0.555 -6.796 10.457 1.00 32.01 C ATOM 1219 O LEU B 196 -1.345 -7.534 11.054 1.00 22.43 O ATOM 1220 CB LEU B 196 -0.928 -6.696 8.013 1.00 75.42 C ATOM 1221 CG LEU B 196 0.361 -7.470 7.660 1.00 24.30 C ATOM 1222 CD1 LEU B 196 0.274 -8.896 8.189 1.00 63.01 C ATOM 1223 CD2 LEU B 196 0.620 -7.463 6.162 1.00 63.35 C ATOM 0 H LEU B 196 0.520 -4.785 8.562 1.00 42.45 H new ATOM 0 HA LEU B 196 -2.057 -5.631 9.482 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -1.748 -7.414 8.005 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.114 -5.991 7.203 1.00 75.42 H new ATOM 0 HG LEU B 196 1.202 -6.968 8.138 1.00 24.30 H new ATOM 0 HD11 LEU B 196 1.187 -9.434 7.936 1.00 63.01 H new ATOM 0 HD12 LEU B 196 0.154 -8.876 9.272 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -0.581 -9.400 7.738 1.00 63.01 H new ATOM 0 HD21 LEU B 196 1.535 -8.016 5.948 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -0.217 -7.933 5.646 1.00 63.35 H new ATOM 0 HD23 LEU B 196 0.729 -6.435 5.816 1.00 63.35 H new ATOM 1235 N GLN B 197 0.720 -6.694 10.758 1.00 54.12 N ATOM 1236 CA GLN B 197 1.366 -7.559 11.703 1.00 1.52 C ATOM 1237 C GLN B 197 0.988 -7.242 13.126 1.00 14.31 C ATOM 1238 O GLN B 197 0.557 -6.112 13.445 1.00 23.34 O ATOM 1239 CB GLN B 197 2.884 -7.428 11.612 1.00 12.04 C ATOM 1240 CG GLN B 197 3.536 -7.977 10.365 1.00 14.33 C ATOM 1241 CD GLN B 197 5.037 -7.747 10.393 1.00 33.32 C ATOM 1242 OE1 GLN B 197 5.650 -7.684 11.472 1.00 54.42 O ATOM 1243 NE2 GLN B 197 5.641 -7.636 9.245 1.00 34.25 N ATOM 0 H GLN B 197 1.340 -5.997 10.345 1.00 54.12 H new ATOM 0 HA GLN B 197 1.037 -8.567 11.449 1.00 1.52 H new ATOM 0 HB2 GLN B 197 3.140 -6.372 11.694 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.322 -7.930 12.475 1.00 12.04 H new ATOM 0 HG2 GLN B 197 3.329 -9.044 10.281 1.00 14.33 H new ATOM 0 HG3 GLN B 197 3.107 -7.499 9.485 1.00 14.33 H new ATOM 0 HE21 GLN B 197 5.105 -7.693 8.379 1.00 34.25 H new ATOM 0 HE22 GLN B 197 6.650 -7.492 9.212 1.00 34.25 H new ATOM 1252 N SER B 198 1.134 -8.228 13.976 1.00 33.54 N ATOM 1253 CA SER B 198 1.089 -8.001 15.371 1.00 12.43 C ATOM 1254 C SER B 198 2.416 -7.312 15.643 1.00 1.54 C ATOM 1255 O SER B 198 3.466 -7.799 15.196 1.00 24.20 O ATOM 1256 CB SER B 198 1.044 -9.347 16.079 1.00 25.00 C ATOM 1257 OG SER B 198 0.059 -10.187 15.488 1.00 4.45 O ATOM 0 H SER B 198 1.286 -9.200 13.707 1.00 33.54 H new ATOM 0 HA SER B 198 0.230 -7.420 15.707 1.00 12.43 H new ATOM 0 HB2 SER B 198 2.021 -9.827 16.023 1.00 25.00 H new ATOM 0 HB3 SER B 198 0.820 -9.202 17.136 1.00 25.00 H new ATOM 0 HG SER B 198 0.043 -11.050 15.953 1.00 4.45 H new ATOM 1263 N HIS B 199 2.417 -6.218 16.312 1.00 64.41 N ATOM 1264 CA HIS B 199 3.630 -5.470 16.394 1.00 72.30 C ATOM 1265 C HIS B 199 3.633 -4.675 17.666 1.00 63.44 C ATOM 1266 O HIS B 199 3.271 -3.502 17.640 1.00 64.51 O ATOM 1267 CB HIS B 199 3.695 -4.562 15.146 1.00 55.12 C ATOM 1268 CG HIS B 199 5.004 -3.912 14.866 1.00 44.44 C ATOM 1269 ND1 HIS B 199 5.963 -4.495 14.072 1.00 1.01 N ATOM 1270 CD2 HIS B 199 5.492 -2.703 15.206 1.00 11.40 C ATOM 1271 CE1 HIS B 199 6.974 -3.674 13.933 1.00 1.32 C ATOM 1272 NE2 HIS B 199 6.717 -2.580 14.609 1.00 12.31 N ATOM 0 H HIS B 199 1.615 -5.822 16.803 1.00 64.41 H new ATOM 0 HA HIS B 199 4.507 -6.117 16.413 1.00 72.30 H new ATOM 0 HB2 HIS B 199 3.416 -5.157 14.276 1.00 55.12 H new ATOM 0 HB3 HIS B 199 2.942 -3.781 15.252 1.00 55.12 H new ATOM 0 HD2 HIS B 199 5.007 -1.969 15.832 1.00 11.40 H new ATOM 0 HE1 HIS B 199 7.868 -3.866 13.359 1.00 1.32 H new ATOM 0 HE2 HIS B 199 7.331 -1.769 14.679 1.00 12.31 H new