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 186 GLN : amide:sc= -0.0292 X(o=0.67,f=0.73) USER MOD Set 1.2: B 190 GLN : amide:sc= 0.701 K(o=0.67,f=0) USER MOD Set 2.1: B 178 GLN : amide:sc= -0.316 K(o=-0.38,f=-1.2) USER MOD Set 2.2: B 180 HIS : no HE2:sc= -0.0598 K(o=-0.38,f=-6.4!) USER MOD Set 3.1: B 145 GLN : amide:sc= 0.0467 K(o=0.67,f=-11!) USER MOD Set 3.2: B 184 LYS NZ :NH3+ -145:sc= 0.624 (180deg=-2.54!) USER MOD Single : B 134 GLN : amide:sc= -0.278 K(o=-0.28,f=-1) USER MOD Single : B 137 SER OG : rot -33:sc= 0.807 USER MOD Single : B 138 SER OG : rot 82:sc= -3.32! USER MOD Single : B 140 ASN : amide:sc= -11.7! C(o=-12!,f=-20!) USER MOD Single : B 142 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.056) USER MOD Single : B 152 SER OG : rot 180:sc= -0.268 USER MOD Single : B 153 ASN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : B 156 SER OG : rot 75:sc= 0.422 USER MOD Single : B 159 ASN : amide:sc=0.000963 K(o=0.00096,f=-3.3!) USER MOD Single : B 161 GLN : amide:sc= -0.247 K(o=-0.25,f=-2.7!) USER MOD Single : B 162 LYS NZ :NH3+ -141:sc= 1.26 (180deg=0.796) USER MOD Single : B 163 GLN :FLIP amide:sc= -0.0562 F(o=-1.3!,f=-0.056) USER MOD Single : B 166 LYS NZ :NH3+ -157:sc= -0.125 (180deg=-0.533) USER MOD Single : B 173 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.17) USER MOD Single : B 176 GLN : amide:sc= 0.298 X(o=0.3,f=-0.16) USER MOD Single : B 179 SER OG : rot 180:sc= 0 USER MOD Single : B 182 ASN : amide:sc= 0.31 K(o=0.31,f=-9.6!) USER MOD Single : B 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 195 LYS NZ :NH3+ -176:sc= 2.35 (180deg=2.22) USER MOD Single : B 197 GLN : amide:sc= -0.0197 K(o=-0.02,f=-0.66) USER MOD Single : B 198 SER OG : rot 180:sc= 0 USER MOD Single : B 199 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -13.634 -3.111 0.516 1.00 55.53 N ATOM 177 CA LEU B 129 -12.343 -3.095 1.197 1.00 45.21 C ATOM 178 C LEU B 129 -11.115 -3.299 0.266 1.00 33.52 C ATOM 179 O LEU B 129 -10.138 -2.606 0.433 1.00 22.43 O ATOM 180 CB LEU B 129 -12.296 -4.022 2.434 1.00 71.14 C ATOM 181 CG LEU B 129 -13.164 -3.620 3.663 1.00 72.10 C ATOM 182 CD1 LEU B 129 -12.882 -2.194 4.116 1.00 71.02 C ATOM 183 CD2 LEU B 129 -14.647 -3.820 3.412 1.00 45.41 C ATOM 0 HA LEU B 129 -12.255 -2.072 1.563 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -12.600 -5.020 2.119 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -11.259 -4.093 2.763 1.00 71.14 H new ATOM 0 HG LEU B 129 -12.875 -4.292 4.471 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -13.508 -1.955 4.975 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -11.832 -2.102 4.395 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -13.103 -1.503 3.302 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -15.209 -3.526 4.298 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -14.958 -3.208 2.565 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -14.840 -4.870 3.192 1.00 45.41 H new ATOM 195 N PRO B 130 -11.120 -4.242 -0.730 1.00 0.32 N ATOM 196 CA PRO B 130 -9.990 -4.394 -1.673 1.00 63.11 C ATOM 197 C PRO B 130 -9.612 -3.097 -2.384 1.00 21.50 C ATOM 198 O PRO B 130 -8.480 -2.921 -2.769 1.00 1.14 O ATOM 199 CB PRO B 130 -10.516 -5.393 -2.687 1.00 74.52 C ATOM 200 CG PRO B 130 -11.449 -6.221 -1.903 1.00 3.43 C ATOM 201 CD PRO B 130 -12.151 -5.258 -1.002 1.00 14.32 C ATOM 0 HA PRO B 130 -9.084 -4.703 -1.152 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -11.020 -4.896 -3.516 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -9.712 -5.991 -3.116 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -12.154 -6.743 -2.550 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -10.918 -6.982 -1.331 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -13.028 -4.824 -1.481 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.494 -5.740 -0.086 1.00 14.32 H new ATOM 209 N ALA B 131 -10.549 -2.181 -2.506 1.00 12.31 N ATOM 210 CA ALA B 131 -10.310 -0.930 -3.208 1.00 41.31 C ATOM 211 C ALA B 131 -9.248 -0.081 -2.531 1.00 3.12 C ATOM 212 O ALA B 131 -8.469 0.583 -3.202 1.00 52.45 O ATOM 213 CB ALA B 131 -11.598 -0.165 -3.390 1.00 12.14 C ATOM 0 H ALA B 131 -11.491 -2.277 -2.127 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.921 -1.181 -4.195 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -11.396 0.767 -3.917 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -12.299 -0.765 -3.970 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -12.031 0.056 -2.414 1.00 12.14 H new ATOM 219 N LEU B 132 -9.176 -0.154 -1.211 1.00 31.23 N ATOM 220 CA LEU B 132 -8.187 0.621 -0.477 1.00 71.30 C ATOM 221 C LEU B 132 -6.789 0.038 -0.698 1.00 32.55 C ATOM 222 O LEU B 132 -5.788 0.729 -0.590 1.00 34.51 O ATOM 223 CB LEU B 132 -8.573 0.729 1.042 1.00 34.00 C ATOM 224 CG LEU B 132 -8.666 -0.579 1.875 1.00 41.21 C ATOM 225 CD1 LEU B 132 -7.302 -1.126 2.318 1.00 25.22 C ATOM 226 CD2 LEU B 132 -9.614 -0.414 3.052 1.00 65.03 C ATOM 0 H LEU B 132 -9.782 -0.734 -0.631 1.00 31.23 H new ATOM 0 HA LEU B 132 -8.172 1.641 -0.861 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -7.843 1.379 1.525 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -9.538 1.232 1.104 1.00 34.00 H new ATOM 0 HG LEU B 132 -9.079 -1.334 1.206 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -7.446 -2.040 2.895 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -6.694 -1.343 1.440 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -6.795 -0.384 2.935 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -9.659 -1.345 3.616 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -9.254 0.386 3.699 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -10.609 -0.164 2.685 1.00 65.03 H new ATOM 238 N VAL B 133 -6.737 -1.252 -0.966 1.00 20.30 N ATOM 239 CA VAL B 133 -5.487 -1.920 -1.203 1.00 2.44 C ATOM 240 C VAL B 133 -5.037 -1.823 -2.649 1.00 41.43 C ATOM 241 O VAL B 133 -3.865 -1.861 -2.930 1.00 11.14 O ATOM 242 CB VAL B 133 -5.529 -3.395 -0.766 1.00 33.41 C ATOM 243 CG1 VAL B 133 -5.958 -4.325 -1.840 1.00 1.21 C ATOM 244 CG2 VAL B 133 -4.245 -3.831 -0.185 1.00 60.04 C ATOM 0 H VAL B 133 -7.557 -1.856 -1.024 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.755 -1.396 -0.589 1.00 2.44 H new ATOM 0 HB VAL B 133 -6.296 -3.441 0.007 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -5.963 -5.346 -1.457 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -6.961 -4.058 -2.174 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.266 -4.256 -2.679 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.316 -4.878 0.111 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.453 -3.716 -0.925 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -4.016 -3.222 0.689 1.00 60.04 H new ATOM 254 N GLN B 134 -5.995 -1.727 -3.546 1.00 51.03 N ATOM 255 CA GLN B 134 -5.740 -1.833 -4.991 1.00 1.43 C ATOM 256 C GLN B 134 -4.613 -0.950 -5.517 1.00 10.22 C ATOM 257 O GLN B 134 -3.802 -1.383 -6.353 1.00 3.33 O ATOM 258 CB GLN B 134 -6.992 -1.657 -5.850 1.00 62.21 C ATOM 259 CG GLN B 134 -7.968 -2.809 -5.772 1.00 72.32 C ATOM 260 CD GLN B 134 -7.335 -4.136 -6.140 1.00 12.24 C ATOM 261 OE1 GLN B 134 -6.395 -4.199 -6.933 1.00 42.42 O ATOM 262 NE2 GLN B 134 -7.852 -5.200 -5.604 1.00 42.35 N ATOM 0 H GLN B 134 -6.975 -1.574 -3.308 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.399 -2.863 -5.092 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.502 -0.743 -5.545 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.690 -1.522 -6.889 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -8.371 -2.871 -4.761 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -8.808 -2.614 -6.439 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -8.630 -5.115 -4.950 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -7.480 -6.121 -5.837 1.00 42.35 H new ATOM 271 N LEU B 135 -4.537 0.243 -4.994 1.00 31.00 N ATOM 272 CA LEU B 135 -3.533 1.223 -5.382 1.00 53.40 C ATOM 273 C LEU B 135 -2.116 0.797 -4.988 1.00 44.52 C ATOM 274 O LEU B 135 -1.170 1.362 -5.445 1.00 61.22 O ATOM 275 CB LEU B 135 -3.844 2.622 -4.813 1.00 12.34 C ATOM 276 CG LEU B 135 -4.182 2.694 -3.314 1.00 11.04 C ATOM 277 CD1 LEU B 135 -3.765 4.042 -2.750 1.00 24.03 C ATOM 278 CD2 LEU B 135 -5.690 2.521 -3.110 1.00 52.53 C ATOM 0 H LEU B 135 -5.177 0.577 -4.273 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.574 1.277 -6.470 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -2.984 3.265 -5.000 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.682 3.039 -5.372 1.00 12.34 H new ATOM 0 HG LEU B 135 -3.645 1.897 -2.799 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -4.008 4.083 -1.688 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -2.691 4.175 -2.882 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -4.296 4.836 -3.275 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -5.922 2.573 -2.046 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -6.222 3.314 -3.636 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -6.001 1.553 -3.502 1.00 52.53 H new ATOM 290 N LEU B 136 -1.998 -0.207 -4.154 1.00 21.22 N ATOM 291 CA LEU B 136 -0.745 -0.692 -3.684 1.00 44.41 C ATOM 292 C LEU B 136 -0.056 -1.623 -4.688 1.00 40.11 C ATOM 293 O LEU B 136 1.117 -1.909 -4.555 1.00 61.31 O ATOM 294 CB LEU B 136 -1.003 -1.397 -2.384 1.00 1.14 C ATOM 295 CG LEU B 136 -1.063 -0.551 -1.109 1.00 52.41 C ATOM 296 CD1 LEU B 136 -1.375 -1.424 0.091 1.00 41.23 C ATOM 297 CD2 LEU B 136 0.246 0.203 -0.884 1.00 34.05 C ATOM 0 H LEU B 136 -2.799 -0.716 -3.780 1.00 21.22 H new ATOM 0 HA LEU B 136 -0.060 0.145 -3.548 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -1.949 -1.931 -2.475 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -0.224 -2.148 -2.251 1.00 1.14 H new ATOM 0 HG LEU B 136 -1.861 0.182 -1.231 1.00 52.41 H new ATOM 0 HD11 LEU B 136 -1.414 -0.808 0.989 1.00 41.23 H new ATOM 0 HD12 LEU B 136 -2.338 -1.913 -0.056 1.00 41.23 H new ATOM 0 HD13 LEU B 136 -0.597 -2.180 0.203 1.00 41.23 H new ATOM 0 HD21 LEU B 136 0.173 0.795 0.029 1.00 34.05 H new ATOM 0 HD22 LEU B 136 1.065 -0.510 -0.789 1.00 34.05 H new ATOM 0 HD23 LEU B 136 0.436 0.863 -1.730 1.00 34.05 H new ATOM 309 N SER B 137 -0.779 -2.100 -5.680 1.00 11.45 N ATOM 310 CA SER B 137 -0.162 -2.951 -6.681 1.00 2.00 C ATOM 311 C SER B 137 -0.256 -2.278 -8.058 1.00 23.45 C ATOM 312 O SER B 137 -0.027 -2.920 -9.101 1.00 1.12 O ATOM 313 CB SER B 137 -0.821 -4.356 -6.703 1.00 70.13 C ATOM 314 OG SER B 137 -0.259 -5.202 -7.709 1.00 44.15 O ATOM 0 H SER B 137 -1.774 -1.919 -5.816 1.00 11.45 H new ATOM 0 HA SER B 137 0.889 -3.089 -6.426 1.00 2.00 H new ATOM 0 HB2 SER B 137 -0.701 -4.827 -5.727 1.00 70.13 H new ATOM 0 HB3 SER B 137 -1.892 -4.250 -6.877 1.00 70.13 H new ATOM 0 HG SER B 137 0.002 -4.661 -8.483 1.00 44.15 H new ATOM 320 N SER B 138 -0.555 -0.987 -8.052 1.00 30.13 N ATOM 321 CA SER B 138 -0.747 -0.200 -9.241 1.00 70.24 C ATOM 322 C SER B 138 0.497 -0.254 -10.168 1.00 64.22 C ATOM 323 O SER B 138 1.640 -0.369 -9.680 1.00 31.04 O ATOM 324 CB SER B 138 -0.965 1.225 -8.768 1.00 65.30 C ATOM 325 OG SER B 138 0.152 1.653 -8.053 1.00 2.10 O ATOM 0 H SER B 138 -0.672 -0.452 -7.191 1.00 30.13 H new ATOM 0 HA SER B 138 -1.590 -0.581 -9.818 1.00 70.24 H new ATOM 0 HB2 SER B 138 -1.137 1.881 -9.622 1.00 65.30 H new ATOM 0 HB3 SER B 138 -1.855 1.279 -8.140 1.00 65.30 H new ATOM 0 HG SER B 138 0.845 1.952 -8.678 1.00 2.10 H new ATOM 331 N PRO B 139 0.298 -0.158 -11.500 1.00 3.54 N ATOM 332 CA PRO B 139 1.417 -0.073 -12.474 1.00 24.41 C ATOM 333 C PRO B 139 2.047 1.311 -12.351 1.00 3.55 C ATOM 334 O PRO B 139 3.257 1.518 -12.489 1.00 33.11 O ATOM 335 CB PRO B 139 0.672 -0.104 -13.831 1.00 51.14 C ATOM 336 CG PRO B 139 -0.640 0.486 -13.482 1.00 12.24 C ATOM 337 CD PRO B 139 -1.018 -0.146 -12.192 1.00 64.24 C ATOM 0 HA PRO B 139 2.178 -0.842 -12.344 1.00 24.41 H new ATOM 0 HB2 PRO B 139 1.190 0.478 -14.593 1.00 51.14 H new ATOM 0 HB3 PRO B 139 0.572 -1.118 -14.217 1.00 51.14 H new ATOM 0 HG2 PRO B 139 -0.572 1.570 -13.385 1.00 12.24 H new ATOM 0 HG3 PRO B 139 -1.382 0.281 -14.254 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -1.766 0.433 -11.650 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -1.426 -1.148 -12.325 1.00 64.24 H new ATOM 345 N ASN B 140 1.169 2.214 -12.031 1.00 23.02 N ATOM 346 CA ASN B 140 1.325 3.561 -11.982 1.00 20.23 C ATOM 347 C ASN B 140 1.829 3.982 -10.642 1.00 43.12 C ATOM 348 O ASN B 140 1.073 4.317 -9.734 1.00 34.53 O ATOM 349 CB ASN B 140 -0.011 4.231 -12.410 1.00 62.14 C ATOM 350 CG ASN B 140 -1.273 3.420 -12.112 1.00 24.03 C ATOM 351 OD1 ASN B 140 -1.335 2.664 -11.202 1.00 54.34 O ATOM 352 ND2 ASN B 140 -2.286 3.593 -12.921 1.00 42.30 N ATOM 0 H ASN B 140 0.220 1.943 -11.773 1.00 23.02 H new ATOM 0 HA ASN B 140 2.088 3.896 -12.685 1.00 20.23 H new ATOM 0 HB2 ASN B 140 -0.092 5.195 -11.909 1.00 62.14 H new ATOM 0 HB3 ASN B 140 0.028 4.431 -13.481 1.00 62.14 H new ATOM 0 HD21 ASN B 140 -3.151 3.072 -12.774 1.00 42.30 H new ATOM 0 HD22 ASN B 140 -2.211 4.249 -13.698 1.00 42.30 H new ATOM 359 N GLU B 141 3.140 3.918 -10.538 1.00 73.15 N ATOM 360 CA GLU B 141 3.903 4.236 -9.346 1.00 45.35 C ATOM 361 C GLU B 141 3.597 5.640 -8.853 1.00 73.44 C ATOM 362 O GLU B 141 3.670 5.922 -7.668 1.00 64.43 O ATOM 363 CB GLU B 141 5.380 4.122 -9.686 1.00 72.42 C ATOM 364 CG GLU B 141 5.829 2.716 -10.046 1.00 31.50 C ATOM 365 CD GLU B 141 7.184 2.699 -10.707 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.153 3.218 -10.133 1.00 72.31 O ATOM 367 OE2 GLU B 141 7.298 2.164 -11.839 1.00 2.24 O1- ATOM 0 H GLU B 141 3.731 3.630 -11.318 1.00 73.15 H new ATOM 0 HA GLU B 141 3.633 3.541 -8.551 1.00 45.35 H new ATOM 0 HB2 GLU B 141 5.602 4.787 -10.521 1.00 72.42 H new ATOM 0 HB3 GLU B 141 5.965 4.472 -8.836 1.00 72.42 H new ATOM 0 HG2 GLU B 141 5.860 2.105 -9.144 1.00 31.50 H new ATOM 0 HG3 GLU B 141 5.096 2.263 -10.713 1.00 31.50 H new ATOM 374 N GLN B 142 3.262 6.502 -9.776 1.00 51.13 N ATOM 375 CA GLN B 142 2.938 7.872 -9.473 1.00 31.54 C ATOM 376 C GLN B 142 1.558 7.993 -8.865 1.00 51.24 C ATOM 377 O GLN B 142 1.408 8.607 -7.797 1.00 5.41 O ATOM 378 CB GLN B 142 3.009 8.709 -10.729 1.00 3.13 C ATOM 379 CG GLN B 142 4.401 8.816 -11.339 1.00 43.42 C ATOM 380 CD GLN B 142 5.390 9.517 -10.429 1.00 72.43 C ATOM 381 OE1 GLN B 142 5.539 10.737 -10.476 1.00 44.11 O ATOM 382 NE2 GLN B 142 6.087 8.766 -9.623 1.00 63.34 N ATOM 0 H GLN B 142 3.206 6.272 -10.768 1.00 51.13 H new ATOM 0 HA GLN B 142 3.666 8.233 -8.746 1.00 31.54 H new ATOM 0 HB2 GLN B 142 2.332 8.286 -11.471 1.00 3.13 H new ATOM 0 HB3 GLN B 142 2.647 9.712 -10.503 1.00 3.13 H new ATOM 0 HG2 GLN B 142 4.770 7.816 -11.567 1.00 43.42 H new ATOM 0 HG3 GLN B 142 4.338 9.356 -12.284 1.00 43.42 H new ATOM 0 HE21 GLN B 142 5.938 7.757 -9.609 1.00 63.34 H new ATOM 0 HE22 GLN B 142 6.781 9.187 -9.006 1.00 63.34 H new ATOM 391 N ILE B 143 0.537 7.395 -9.508 1.00 34.31 N ATOM 392 CA ILE B 143 -0.813 7.547 -8.981 1.00 21.53 C ATOM 393 C ILE B 143 -0.935 6.808 -7.668 1.00 1.45 C ATOM 394 O ILE B 143 -1.710 7.206 -6.813 1.00 53.35 O ATOM 395 CB ILE B 143 -1.931 7.147 -9.996 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.912 5.720 -10.308 1.00 73.10 C ATOM 397 CG2 ILE B 143 -1.731 7.854 -11.305 1.00 44.30 C ATOM 398 CD1 ILE B 143 -2.660 4.760 -9.446 1.00 51.44 C ATOM 0 H ILE B 143 0.621 6.830 -10.353 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.976 8.610 -8.802 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.873 7.420 -9.520 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -2.289 5.605 -11.324 1.00 73.10 H new ATOM 0 HG13 ILE B 143 -0.869 5.404 -10.317 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -2.519 7.563 -12.000 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -1.767 8.932 -11.146 1.00 44.30 H new ATOM 0 HG23 ILE B 143 -0.761 7.581 -11.721 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -2.530 3.748 -9.831 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -2.278 4.812 -8.427 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -3.719 5.017 -9.450 1.00 51.44 H new ATOM 410 N LEU B 144 -0.141 5.723 -7.532 1.00 55.31 N ATOM 411 CA LEU B 144 -0.020 4.979 -6.282 1.00 51.23 C ATOM 412 C LEU B 144 0.220 5.959 -5.137 1.00 35.13 C ATOM 413 O LEU B 144 -0.602 6.090 -4.239 1.00 44.33 O ATOM 414 CB LEU B 144 1.159 3.970 -6.385 1.00 3.21 C ATOM 415 CG LEU B 144 1.547 3.179 -5.109 1.00 52.24 C ATOM 416 CD1 LEU B 144 1.885 1.747 -5.463 1.00 13.41 C ATOM 417 CD2 LEU B 144 2.767 3.798 -4.453 1.00 24.12 C ATOM 0 H LEU B 144 0.428 5.348 -8.291 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.939 4.424 -6.092 1.00 51.23 H new ATOM 0 HB2 LEU B 144 0.915 3.249 -7.165 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.040 4.517 -6.721 1.00 3.21 H new ATOM 0 HG LEU B 144 0.698 3.210 -4.427 1.00 52.24 H new ATOM 0 HD11 LEU B 144 2.156 1.203 -4.558 1.00 13.41 H new ATOM 0 HD12 LEU B 144 1.020 1.273 -5.927 1.00 13.41 H new ATOM 0 HD13 LEU B 144 2.723 1.733 -6.160 1.00 13.41 H new ATOM 0 HD21 LEU B 144 3.026 3.231 -3.559 1.00 24.12 H new ATOM 0 HD22 LEU B 144 3.604 3.779 -5.151 1.00 24.12 H new ATOM 0 HD23 LEU B 144 2.548 4.830 -4.178 1.00 24.12 H new ATOM 429 N GLN B 145 1.310 6.714 -5.255 1.00 62.02 N ATOM 430 CA GLN B 145 1.741 7.677 -4.255 1.00 14.14 C ATOM 431 C GLN B 145 0.687 8.741 -4.004 1.00 53.32 C ATOM 432 O GLN B 145 0.334 9.032 -2.853 1.00 13.44 O ATOM 433 CB GLN B 145 3.009 8.352 -4.737 1.00 31.14 C ATOM 434 CG GLN B 145 4.131 7.401 -5.012 1.00 35.44 C ATOM 435 CD GLN B 145 5.345 8.083 -5.604 1.00 5.04 C ATOM 436 OE1 GLN B 145 5.628 9.238 -5.311 1.00 4.41 O ATOM 437 NE2 GLN B 145 6.034 7.406 -6.467 1.00 60.40 N ATOM 0 H GLN B 145 1.928 6.670 -6.066 1.00 62.02 H new ATOM 0 HA GLN B 145 1.912 7.140 -3.322 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.789 8.912 -5.646 1.00 31.14 H new ATOM 0 HB3 GLN B 145 3.333 9.074 -3.988 1.00 31.14 H new ATOM 0 HG2 GLN B 145 4.415 6.904 -4.085 1.00 35.44 H new ATOM 0 HG3 GLN B 145 3.785 6.626 -5.696 1.00 35.44 H new ATOM 0 HE21 GLN B 145 5.772 6.446 -6.689 1.00 60.40 H new ATOM 0 HE22 GLN B 145 6.839 7.833 -6.925 1.00 60.40 H new ATOM 446 N GLU B 146 0.185 9.309 -5.070 1.00 55.14 N ATOM 447 CA GLU B 146 -0.772 10.398 -4.967 1.00 32.43 C ATOM 448 C GLU B 146 -2.121 9.964 -4.399 1.00 61.02 C ATOM 449 O GLU B 146 -2.753 10.720 -3.658 1.00 62.21 O ATOM 450 CB GLU B 146 -0.915 11.158 -6.280 1.00 61.15 C ATOM 451 CG GLU B 146 0.384 11.811 -6.721 1.00 73.43 C ATOM 452 CD GLU B 146 0.198 12.785 -7.847 1.00 74.32 C ATOM 453 OE1 GLU B 146 -0.333 13.878 -7.599 1.00 22.34 O1- ATOM 454 OE2 GLU B 146 0.588 12.488 -8.995 1.00 3.34 O ATOM 0 H GLU B 146 0.419 9.040 -6.025 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.357 11.094 -4.238 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -1.255 10.473 -7.057 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -1.683 11.923 -6.171 1.00 61.15 H new ATOM 0 HG2 GLU B 146 0.831 12.327 -5.872 1.00 73.43 H new ATOM 0 HG3 GLU B 146 1.087 11.037 -7.030 1.00 73.43 H new ATOM 461 N ALA B 147 -2.549 8.754 -4.710 1.00 15.44 N ATOM 462 CA ALA B 147 -3.791 8.237 -4.167 1.00 72.45 C ATOM 463 C ALA B 147 -3.589 7.847 -2.722 1.00 11.52 C ATOM 464 O ALA B 147 -4.471 8.042 -1.890 1.00 71.22 O ATOM 465 CB ALA B 147 -4.304 7.055 -4.969 1.00 4.23 C ATOM 0 H ALA B 147 -2.057 8.114 -5.333 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.544 9.023 -4.229 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.236 6.695 -4.532 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.482 7.364 -5.999 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.563 6.255 -4.953 1.00 4.23 H new ATOM 471 N LEU B 148 -2.392 7.347 -2.416 1.00 50.13 N ATOM 472 CA LEU B 148 -2.023 6.952 -1.065 1.00 10.21 C ATOM 473 C LEU B 148 -2.163 8.095 -0.103 1.00 72.25 C ATOM 474 O LEU B 148 -2.450 7.892 1.029 1.00 11.01 O ATOM 475 CB LEU B 148 -0.596 6.438 -1.008 1.00 24.22 C ATOM 476 CG LEU B 148 -0.348 5.003 -1.454 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.133 4.762 -1.554 1.00 75.04 C ATOM 478 CD2 LEU B 148 -0.967 4.020 -0.470 1.00 53.12 C ATOM 0 H LEU B 148 -1.652 7.206 -3.103 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.706 6.153 -0.778 1.00 10.21 H new ATOM 0 HB2 LEU B 148 0.022 7.093 -1.622 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.243 6.537 0.019 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.812 4.851 -2.429 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.314 3.736 -1.873 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.565 5.450 -2.281 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.595 4.926 -0.580 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -0.779 3.001 -0.807 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -0.524 4.164 0.516 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -2.042 4.190 -0.413 1.00 53.12 H new ATOM 490 N TRP B 149 -1.973 9.290 -0.584 1.00 72.11 N ATOM 491 CA TRP B 149 -2.117 10.496 0.228 1.00 73.33 C ATOM 492 C TRP B 149 -3.488 10.486 0.936 1.00 33.51 C ATOM 493 O TRP B 149 -3.587 10.743 2.137 1.00 12.44 O ATOM 494 CB TRP B 149 -2.015 11.710 -0.681 1.00 5.20 C ATOM 495 CG TRP B 149 -1.871 13.022 0.031 1.00 21.45 C ATOM 496 CD1 TRP B 149 -0.748 13.507 0.636 1.00 14.14 C ATOM 497 CD2 TRP B 149 -2.878 14.031 0.189 1.00 64.10 C ATOM 498 NE1 TRP B 149 -0.998 14.744 1.167 1.00 44.31 N ATOM 499 CE2 TRP B 149 -2.297 15.089 0.908 1.00 41.22 C ATOM 500 CE3 TRP B 149 -4.218 14.137 -0.203 1.00 50.34 C ATOM 501 CZ2 TRP B 149 -3.004 16.241 1.242 1.00 11.41 C ATOM 502 CZ3 TRP B 149 -4.919 15.280 0.130 1.00 0.00 C ATOM 503 CH2 TRP B 149 -4.310 16.318 0.846 1.00 21.30 C ATOM 0 H TRP B 149 -1.712 9.472 -1.553 1.00 72.11 H new ATOM 0 HA TRP B 149 -1.332 10.532 0.983 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -1.161 11.578 -1.345 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -2.904 11.750 -1.310 1.00 5.20 H new ATOM 0 HD1 TRP B 149 0.199 12.991 0.688 1.00 14.14 H new ATOM 0 HE1 TRP B 149 -0.324 15.317 1.675 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -4.695 13.340 -0.755 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 -2.538 17.044 1.794 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -5.953 15.374 -0.167 1.00 0.00 H new ATOM 0 HH2 TRP B 149 -4.885 17.199 1.091 1.00 21.30 H new ATOM 514 N ALA B 150 -4.519 10.145 0.186 1.00 4.41 N ATOM 515 CA ALA B 150 -5.855 10.067 0.723 1.00 55.10 C ATOM 516 C ALA B 150 -6.133 8.678 1.345 1.00 74.03 C ATOM 517 O ALA B 150 -6.809 8.556 2.368 1.00 33.30 O ATOM 518 CB ALA B 150 -6.877 10.387 -0.356 1.00 15.21 C ATOM 0 H ALA B 150 -4.450 9.917 -0.806 1.00 4.41 H new ATOM 0 HA ALA B 150 -5.942 10.807 1.518 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -7.881 10.324 0.064 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -6.704 11.395 -0.734 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -6.780 9.672 -1.173 1.00 15.21 H new ATOM 524 N LEU B 151 -5.599 7.637 0.721 1.00 70.43 N ATOM 525 CA LEU B 151 -5.870 6.246 1.130 1.00 60.43 C ATOM 526 C LEU B 151 -5.035 5.749 2.314 1.00 0.01 C ATOM 527 O LEU B 151 -5.417 4.816 2.985 1.00 1.42 O ATOM 528 CB LEU B 151 -5.725 5.285 -0.047 1.00 30.21 C ATOM 529 CG LEU B 151 -6.887 5.188 -1.058 1.00 35.52 C ATOM 530 CD1 LEU B 151 -8.151 4.659 -0.401 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.168 6.504 -1.765 1.00 54.11 C ATOM 0 H LEU B 151 -4.970 7.720 -0.077 1.00 70.43 H new ATOM 0 HA LEU B 151 -6.904 6.260 1.476 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -4.827 5.566 -0.598 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -5.551 4.288 0.357 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.564 4.478 -1.819 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -8.950 4.603 -1.141 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -7.962 3.665 0.004 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -8.450 5.329 0.405 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -7.995 6.373 -2.463 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -7.432 7.263 -1.029 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -6.279 6.821 -2.311 1.00 54.11 H new ATOM 543 N SER B 152 -3.926 6.369 2.578 1.00 60.31 N ATOM 544 CA SER B 152 -3.054 5.974 3.680 1.00 74.51 C ATOM 545 C SER B 152 -3.746 6.241 5.028 1.00 11.20 C ATOM 546 O SER B 152 -3.416 5.632 6.068 1.00 33.33 O ATOM 547 CB SER B 152 -1.706 6.679 3.546 1.00 21.44 C ATOM 548 OG SER B 152 -0.803 6.309 4.555 1.00 22.11 O ATOM 0 H SER B 152 -3.585 7.168 2.043 1.00 60.31 H new ATOM 0 HA SER B 152 -2.859 4.902 3.640 1.00 74.51 H new ATOM 0 HB2 SER B 152 -1.273 6.447 2.573 1.00 21.44 H new ATOM 0 HB3 SER B 152 -1.859 7.758 3.578 1.00 21.44 H new ATOM 0 HG SER B 152 0.044 6.784 4.426 1.00 22.11 H new ATOM 554 N ASN B 153 -4.734 7.137 4.987 1.00 64.24 N ATOM 555 CA ASN B 153 -5.597 7.458 6.130 1.00 44.31 C ATOM 556 C ASN B 153 -6.242 6.179 6.672 1.00 64.55 C ATOM 557 O ASN B 153 -6.465 6.028 7.875 1.00 64.23 O ATOM 558 CB ASN B 153 -6.691 8.415 5.662 1.00 63.41 C ATOM 559 CG ASN B 153 -7.611 8.868 6.774 1.00 23.31 C ATOM 560 OD1 ASN B 153 -8.657 8.261 7.022 1.00 40.43 O ATOM 561 ND2 ASN B 153 -7.240 9.924 7.446 1.00 50.30 N ATOM 0 H ASN B 153 -4.962 7.669 4.147 1.00 64.24 H new ATOM 0 HA ASN B 153 -5.004 7.919 6.920 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -6.227 9.290 5.206 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -7.283 7.927 4.887 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -7.822 10.275 8.207 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -6.368 10.398 7.210 1.00 50.30 H new ATOM 568 N ILE B 154 -6.504 5.261 5.758 1.00 75.13 N ATOM 569 CA ILE B 154 -7.066 3.950 6.052 1.00 55.41 C ATOM 570 C ILE B 154 -6.164 3.189 7.046 1.00 43.23 C ATOM 571 O ILE B 154 -6.603 2.803 8.130 1.00 31.12 O ATOM 572 CB ILE B 154 -7.190 3.119 4.734 1.00 3.11 C ATOM 573 CG1 ILE B 154 -8.202 3.755 3.748 1.00 50.30 C ATOM 574 CG2 ILE B 154 -7.535 1.666 5.000 1.00 43.33 C ATOM 575 CD1 ILE B 154 -9.640 3.759 4.219 1.00 21.43 C ATOM 0 H ILE B 154 -6.328 5.409 4.764 1.00 75.13 H new ATOM 0 HA ILE B 154 -8.052 4.088 6.496 1.00 55.41 H new ATOM 0 HB ILE B 154 -6.206 3.138 4.265 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -7.897 4.783 3.551 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -8.148 3.220 2.800 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -7.610 1.131 4.053 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -6.755 1.213 5.612 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -8.488 1.609 5.526 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -10.270 4.224 3.461 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -9.971 2.734 4.387 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -9.717 4.322 5.149 1.00 21.43 H new ATOM 587 N ALA B 155 -4.897 3.062 6.692 1.00 10.31 N ATOM 588 CA ALA B 155 -3.946 2.269 7.465 1.00 14.12 C ATOM 589 C ALA B 155 -3.496 2.990 8.730 1.00 64.41 C ATOM 590 O ALA B 155 -3.050 2.360 9.688 1.00 71.04 O ATOM 591 CB ALA B 155 -2.752 1.897 6.599 1.00 41.11 C ATOM 0 H ALA B 155 -4.496 3.502 5.864 1.00 10.31 H new ATOM 0 HA ALA B 155 -4.452 1.357 7.782 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -2.048 1.306 7.184 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -3.091 1.314 5.743 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -2.260 2.804 6.249 1.00 41.11 H new ATOM 597 N SER B 156 -3.623 4.300 8.736 1.00 4.52 N ATOM 598 CA SER B 156 -3.233 5.085 9.891 1.00 54.22 C ATOM 599 C SER B 156 -4.254 4.960 11.039 1.00 33.11 C ATOM 600 O SER B 156 -3.930 5.222 12.204 1.00 31.14 O ATOM 601 CB SER B 156 -3.002 6.540 9.489 1.00 51.15 C ATOM 602 OG SER B 156 -1.967 6.625 8.505 1.00 71.21 O ATOM 0 H SER B 156 -3.992 4.844 7.956 1.00 4.52 H new ATOM 0 HA SER B 156 -2.292 4.687 10.271 1.00 54.22 H new ATOM 0 HB2 SER B 156 -3.924 6.966 9.094 1.00 51.15 H new ATOM 0 HB3 SER B 156 -2.729 7.128 10.366 1.00 51.15 H new ATOM 0 HG SER B 156 -2.313 6.321 7.640 1.00 71.21 H new ATOM 608 N GLY B 157 -5.456 4.517 10.711 1.00 64.35 N ATOM 609 CA GLY B 157 -6.476 4.335 11.715 1.00 65.32 C ATOM 610 C GLY B 157 -6.460 2.919 12.240 1.00 30.23 C ATOM 611 O GLY B 157 -6.051 1.992 11.527 1.00 41.22 O ATOM 0 H GLY B 157 -5.743 4.279 9.761 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -6.315 5.034 12.535 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -7.455 4.560 11.292 1.00 65.32 H new ATOM 615 N GLY B 158 -6.867 2.737 13.467 1.00 4.51 N ATOM 616 CA GLY B 158 -6.861 1.419 14.043 1.00 1.13 C ATOM 617 C GLY B 158 -8.237 0.815 14.116 1.00 32.24 C ATOM 618 O GLY B 158 -9.228 1.534 14.353 1.00 23.13 O ATOM 0 H GLY B 158 -7.204 3.477 14.083 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -6.214 0.771 13.452 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -6.435 1.466 15.045 1.00 1.13 H new ATOM 622 N ASN B 159 -8.288 -0.511 13.938 1.00 23.14 N ATOM 623 CA ASN B 159 -9.527 -1.317 13.853 1.00 4.32 C ATOM 624 C ASN B 159 -10.329 -0.932 12.598 1.00 43.12 C ATOM 625 O ASN B 159 -10.070 0.108 12.003 1.00 73.44 O ATOM 626 CB ASN B 159 -10.394 -1.220 15.144 1.00 41.53 C ATOM 627 CG ASN B 159 -11.557 -2.212 15.151 1.00 73.54 C ATOM 628 OD1 ASN B 159 -11.465 -3.297 14.571 1.00 53.51 O ATOM 629 ND2 ASN B 159 -12.638 -1.868 15.798 1.00 13.35 N ATOM 0 H ASN B 159 -7.445 -1.077 13.845 1.00 23.14 H new ATOM 0 HA ASN B 159 -9.233 -2.363 13.767 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -9.763 -1.400 16.014 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -10.786 -0.207 15.238 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -13.435 -2.503 15.833 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -12.685 -0.964 16.268 1.00 13.35 H new ATOM 636 N GLU B 160 -11.242 -1.806 12.169 1.00 61.13 N ATOM 637 CA GLU B 160 -12.124 -1.593 11.005 1.00 44.33 C ATOM 638 C GLU B 160 -11.329 -1.531 9.678 1.00 21.45 C ATOM 639 O GLU B 160 -11.327 -2.480 8.905 1.00 55.12 O ATOM 640 CB GLU B 160 -13.012 -0.346 11.214 1.00 21.44 C ATOM 641 CG GLU B 160 -14.076 -0.126 10.155 1.00 75.15 C ATOM 642 CD GLU B 160 -15.011 -1.292 10.029 1.00 34.45 C ATOM 643 OE1 GLU B 160 -15.737 -1.602 10.997 1.00 51.14 O1- ATOM 644 OE2 GLU B 160 -15.026 -1.938 8.970 1.00 5.33 O ATOM 0 H GLU B 160 -11.397 -2.704 12.627 1.00 61.13 H new ATOM 0 HA GLU B 160 -12.783 -2.457 10.923 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -13.500 -0.426 12.185 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -12.371 0.535 11.251 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -14.648 0.769 10.400 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -13.595 0.056 9.194 1.00 75.15 H new ATOM 651 N GLN B 161 -10.622 -0.454 9.457 1.00 55.22 N ATOM 652 CA GLN B 161 -9.837 -0.290 8.254 1.00 4.24 C ATOM 653 C GLN B 161 -8.525 -1.056 8.378 1.00 2.21 C ATOM 654 O GLN B 161 -8.007 -1.586 7.404 1.00 4.14 O ATOM 655 CB GLN B 161 -9.531 1.189 7.968 1.00 73.31 C ATOM 656 CG GLN B 161 -10.734 2.098 7.696 1.00 74.15 C ATOM 657 CD GLN B 161 -11.538 2.412 8.939 1.00 63.34 C ATOM 658 OE1 GLN B 161 -10.997 2.440 10.041 1.00 30.32 O ATOM 659 NE2 GLN B 161 -12.807 2.657 8.782 1.00 71.32 N ATOM 0 H GLN B 161 -10.572 0.335 10.102 1.00 55.22 H new ATOM 0 HA GLN B 161 -10.426 -0.684 7.426 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -8.983 1.594 8.819 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -8.865 1.239 7.107 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -10.384 3.030 7.253 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -11.383 1.620 6.962 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -13.221 2.624 7.850 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -13.387 2.882 9.591 1.00 71.32 H new ATOM 668 N LYS B 162 -8.022 -1.142 9.599 1.00 0.01 N ATOM 669 CA LYS B 162 -6.739 -1.784 9.886 1.00 53.04 C ATOM 670 C LYS B 162 -6.785 -3.308 9.626 1.00 54.42 C ATOM 671 O LYS B 162 -5.770 -3.922 9.352 1.00 41.24 O ATOM 672 CB LYS B 162 -6.384 -1.516 11.345 1.00 52.24 C ATOM 673 CG LYS B 162 -4.967 -1.872 11.764 1.00 72.31 C ATOM 674 CD LYS B 162 -4.820 -1.710 13.266 1.00 53.42 C ATOM 675 CE LYS B 162 -3.382 -1.736 13.724 1.00 52.21 C ATOM 676 NZ LYS B 162 -2.687 -2.978 13.368 1.00 22.01 N1+ ATOM 0 H LYS B 162 -8.490 -0.769 10.425 1.00 0.01 H new ATOM 0 HA LYS B 162 -5.982 -1.368 9.221 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -6.547 -0.458 11.549 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -7.078 -2.072 11.975 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -4.739 -2.898 11.476 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -4.253 -1.230 11.248 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -5.276 -0.768 13.571 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -5.370 -2.507 13.767 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -2.852 -0.891 13.285 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -3.349 -1.605 14.806 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -2.063 -3.263 14.149 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -3.385 -3.728 13.192 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -2.120 -2.825 12.510 1.00 22.01 H new ATOM 690 N GLN B 163 -7.968 -3.896 9.700 1.00 45.04 N ATOM 691 CA GLN B 163 -8.128 -5.354 9.533 1.00 54.43 C ATOM 692 C GLN B 163 -8.321 -5.699 8.058 1.00 43.34 C ATOM 693 O GLN B 163 -7.877 -6.742 7.573 1.00 51.54 O ATOM 694 CB GLN B 163 -9.341 -5.823 10.347 1.00 0.44 C ATOM 695 CG GLN B 163 -10.652 -5.256 9.840 1.00 12.45 C ATOM 696 CD GLN B 163 -11.808 -5.325 10.818 1.00 32.52 C ATOM 697 OE1 GLN B 163 -11.532 -5.228 12.091 1.00 71.21 O flip ATOM 698 NE2 GLN B 163 -12.960 -5.436 10.416 1.00 35.45 N flip ATOM 0 H GLN B 163 -8.840 -3.396 9.874 1.00 45.04 H new ATOM 0 HA GLN B 163 -7.231 -5.860 9.890 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -9.389 -6.912 10.322 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -9.206 -5.534 11.389 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -10.495 -4.214 9.561 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -10.933 -5.790 8.932 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -13.146 -5.510 9.416 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -13.733 -5.454 11.081 1.00 35.45 H new ATOM 707 N ALA B 164 -8.930 -4.763 7.361 1.00 52.32 N ATOM 708 CA ALA B 164 -9.319 -4.870 5.967 1.00 30.11 C ATOM 709 C ALA B 164 -8.168 -5.233 5.106 1.00 13.35 C ATOM 710 O ALA B 164 -8.264 -6.090 4.267 1.00 74.41 O ATOM 711 CB ALA B 164 -9.759 -3.522 5.541 1.00 12.31 C ATOM 0 H ALA B 164 -9.180 -3.862 7.769 1.00 52.32 H new ATOM 0 HA ALA B 164 -10.091 -5.634 5.872 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -10.063 -3.552 4.495 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -10.602 -3.204 6.154 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.937 -2.816 5.660 1.00 12.31 H new ATOM 717 N VAL B 165 -7.084 -4.576 5.362 1.00 3.02 N ATOM 718 CA VAL B 165 -5.882 -4.642 4.569 1.00 13.21 C ATOM 719 C VAL B 165 -5.361 -6.088 4.416 1.00 2.43 C ATOM 720 O VAL B 165 -4.861 -6.467 3.359 1.00 61.00 O ATOM 721 CB VAL B 165 -4.797 -3.724 5.197 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.374 -2.386 5.468 1.00 41.13 C ATOM 723 CG2 VAL B 165 -4.370 -4.245 6.498 1.00 41.10 C ATOM 0 H VAL B 165 -7.000 -3.949 6.162 1.00 3.02 H new ATOM 0 HA VAL B 165 -6.119 -4.290 3.565 1.00 13.21 H new ATOM 0 HB VAL B 165 -3.962 -3.678 4.498 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -4.612 -1.743 5.908 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -5.725 -1.945 4.535 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -6.210 -2.484 6.160 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.610 -3.588 6.921 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -5.226 -4.290 7.171 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.955 -5.245 6.371 1.00 41.10 H new ATOM 733 N LYS B 166 -5.545 -6.904 5.440 1.00 72.33 N ATOM 734 CA LYS B 166 -5.058 -8.260 5.404 1.00 62.53 C ATOM 735 C LYS B 166 -5.933 -9.077 4.460 1.00 61.12 C ATOM 736 O LYS B 166 -5.436 -9.764 3.558 1.00 13.14 O ATOM 737 CB LYS B 166 -5.035 -8.904 6.806 1.00 64.02 C ATOM 738 CG LYS B 166 -4.189 -8.192 7.885 1.00 21.20 C ATOM 739 CD LYS B 166 -4.878 -6.964 8.496 1.00 51.32 C ATOM 740 CE LYS B 166 -4.234 -6.586 9.828 1.00 50.03 C ATOM 741 NZ LYS B 166 -4.447 -7.626 10.861 1.00 65.44 N1+ ATOM 0 H LYS B 166 -6.027 -6.646 6.301 1.00 72.33 H new ATOM 0 HA LYS B 166 -4.029 -8.246 5.043 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -6.061 -8.969 7.167 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -4.667 -9.925 6.705 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -3.958 -8.901 8.680 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.240 -7.885 7.446 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -4.813 -6.124 7.805 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -5.937 -7.173 8.646 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -3.165 -6.432 9.683 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -4.648 -5.639 10.175 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -4.359 -7.200 11.806 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -5.398 -8.034 10.752 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -3.734 -8.376 10.751 1.00 65.44 H new ATOM 755 N GLU B 167 -7.236 -8.933 4.639 1.00 75.44 N ATOM 756 CA GLU B 167 -8.231 -9.595 3.854 1.00 33.13 C ATOM 757 C GLU B 167 -8.191 -9.094 2.401 1.00 4.33 C ATOM 758 O GLU B 167 -8.295 -9.870 1.454 1.00 61.22 O ATOM 759 CB GLU B 167 -9.565 -9.293 4.496 1.00 35.41 C ATOM 760 CG GLU B 167 -10.485 -10.475 4.514 1.00 14.32 C ATOM 761 CD GLU B 167 -11.007 -10.903 3.161 1.00 71.10 C ATOM 762 OE1 GLU B 167 -10.338 -11.688 2.456 1.00 34.35 O ATOM 763 OE2 GLU B 167 -12.113 -10.466 2.775 1.00 51.30 O1- ATOM 0 H GLU B 167 -7.629 -8.330 5.361 1.00 75.44 H new ATOM 0 HA GLU B 167 -8.056 -10.670 3.823 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.401 -8.951 5.518 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -10.044 -8.474 3.959 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -9.961 -11.317 4.967 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -11.334 -10.245 5.157 1.00 14.32 H new ATOM 770 N ALA B 168 -7.987 -7.801 2.252 1.00 51.34 N ATOM 771 CA ALA B 168 -7.911 -7.139 0.955 1.00 12.43 C ATOM 772 C ALA B 168 -6.697 -7.602 0.163 1.00 34.44 C ATOM 773 O ALA B 168 -6.632 -7.417 -1.037 1.00 25.22 O ATOM 774 CB ALA B 168 -7.864 -5.633 1.147 1.00 40.11 C ATOM 0 H ALA B 168 -7.867 -7.165 3.040 1.00 51.34 H new ATOM 0 HA ALA B 168 -8.802 -7.407 0.387 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -7.807 -5.144 0.175 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.764 -5.304 1.667 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -6.987 -5.369 1.738 1.00 40.11 H new ATOM 780 N GLY B 169 -5.740 -8.180 0.842 1.00 34.33 N ATOM 781 CA GLY B 169 -4.594 -8.706 0.166 1.00 34.02 C ATOM 782 C GLY B 169 -3.468 -7.724 0.067 1.00 4.54 C ATOM 783 O GLY B 169 -2.788 -7.649 -0.961 1.00 31.44 O ATOM 0 H GLY B 169 -5.735 -8.296 1.855 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -4.247 -9.596 0.691 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -4.884 -9.020 -0.837 1.00 34.02 H new ATOM 787 N ALA B 170 -3.249 -6.968 1.136 1.00 35.41 N ATOM 788 CA ALA B 170 -2.151 -6.010 1.188 1.00 34.41 C ATOM 789 C ALA B 170 -0.823 -6.712 1.117 1.00 73.04 C ATOM 790 O ALA B 170 0.132 -6.152 0.644 1.00 1.24 O ATOM 791 CB ALA B 170 -2.244 -5.138 2.423 1.00 13.24 C ATOM 0 H ALA B 170 -3.819 -7.000 1.981 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.233 -5.359 0.318 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.412 -4.434 2.435 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.185 -4.588 2.410 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -2.202 -5.764 3.314 1.00 13.24 H new ATOM 797 N LEU B 171 -0.797 -7.960 1.551 1.00 61.22 N ATOM 798 CA LEU B 171 0.396 -8.782 1.480 1.00 71.22 C ATOM 799 C LEU B 171 0.750 -9.037 0.027 1.00 54.15 C ATOM 800 O LEU B 171 1.858 -8.749 -0.410 1.00 23.24 O ATOM 801 CB LEU B 171 0.153 -10.099 2.191 1.00 35.44 C ATOM 802 CG LEU B 171 -0.132 -10.001 3.678 1.00 71.12 C ATOM 803 CD1 LEU B 171 -0.529 -11.347 4.215 1.00 70.51 C ATOM 804 CD2 LEU B 171 1.091 -9.484 4.412 1.00 11.20 C ATOM 0 H LEU B 171 -1.603 -8.431 1.962 1.00 61.22 H new ATOM 0 HA LEU B 171 1.223 -8.263 1.965 1.00 71.22 H new ATOM 0 HB2 LEU B 171 -0.687 -10.600 1.711 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.027 -10.735 2.048 1.00 35.44 H new ATOM 0 HG LEU B 171 -0.954 -9.303 3.834 1.00 71.12 H new ATOM 0 HD11 LEU B 171 -0.732 -11.267 5.283 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -1.425 -11.694 3.701 1.00 70.51 H new ATOM 0 HD13 LEU B 171 0.281 -12.057 4.052 1.00 70.51 H new ATOM 0 HD21 LEU B 171 0.874 -9.418 5.478 1.00 11.20 H new ATOM 0 HD22 LEU B 171 1.926 -10.166 4.253 1.00 11.20 H new ATOM 0 HD23 LEU B 171 1.352 -8.496 4.033 1.00 11.20 H new ATOM 816 N GLU B 172 -0.228 -9.540 -0.720 1.00 61.41 N ATOM 817 CA GLU B 172 -0.088 -9.812 -2.141 1.00 12.34 C ATOM 818 C GLU B 172 0.276 -8.535 -2.897 1.00 12.03 C ATOM 819 O GLU B 172 1.149 -8.545 -3.760 1.00 11.21 O ATOM 820 CB GLU B 172 -1.398 -10.383 -2.677 1.00 22.42 C ATOM 821 CG GLU B 172 -1.404 -10.668 -4.161 1.00 4.33 C ATOM 822 CD GLU B 172 -2.728 -11.195 -4.622 1.00 14.33 C ATOM 823 OE1 GLU B 172 -3.639 -10.398 -4.889 1.00 71.05 O1- ATOM 824 OE2 GLU B 172 -2.898 -12.418 -4.695 1.00 61.51 O ATOM 0 H GLU B 172 -1.149 -9.772 -0.349 1.00 61.41 H new ATOM 0 HA GLU B 172 0.713 -10.537 -2.288 1.00 12.34 H new ATOM 0 HB2 GLU B 172 -1.621 -11.307 -2.143 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -2.202 -9.683 -2.452 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -1.166 -9.755 -4.707 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -0.623 -11.392 -4.395 1.00 4.33 H new ATOM 831 N LYS B 173 -0.408 -7.448 -2.553 1.00 75.52 N ATOM 832 CA LYS B 173 -0.162 -6.146 -3.142 1.00 52.14 C ATOM 833 C LYS B 173 1.267 -5.680 -2.871 1.00 13.42 C ATOM 834 O LYS B 173 1.981 -5.262 -3.791 1.00 22.05 O ATOM 835 CB LYS B 173 -1.154 -5.114 -2.587 1.00 52.11 C ATOM 836 CG LYS B 173 -2.330 -4.705 -3.492 1.00 23.24 C ATOM 837 CD LYS B 173 -3.473 -5.714 -3.623 1.00 32.34 C ATOM 838 CE LYS B 173 -3.085 -7.030 -4.242 1.00 65.44 C ATOM 839 NZ LYS B 173 -4.268 -7.838 -4.593 1.00 43.00 N1+ ATOM 0 H LYS B 173 -1.151 -7.451 -1.854 1.00 75.52 H new ATOM 0 HA LYS B 173 -0.299 -6.237 -4.220 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -1.565 -5.508 -1.658 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -0.596 -4.213 -2.332 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.742 -3.769 -3.114 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -1.939 -4.501 -4.489 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.888 -5.902 -2.633 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -4.267 -5.267 -4.221 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -2.489 -6.850 -5.137 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -2.457 -7.588 -3.548 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -3.961 -8.764 -4.954 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -4.859 -7.974 -3.748 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -4.819 -7.347 -5.325 1.00 43.00 H new ATOM 853 N LEU B 174 1.675 -5.797 -1.615 1.00 32.33 N ATOM 854 CA LEU B 174 2.992 -5.389 -1.158 1.00 44.15 C ATOM 855 C LEU B 174 4.074 -6.097 -1.942 1.00 4.04 C ATOM 856 O LEU B 174 4.979 -5.457 -2.439 1.00 43.44 O ATOM 857 CB LEU B 174 3.154 -5.683 0.345 1.00 22.15 C ATOM 858 CG LEU B 174 4.472 -5.253 1.000 1.00 32.13 C ATOM 859 CD1 LEU B 174 4.641 -3.744 0.944 1.00 13.11 C ATOM 860 CD2 LEU B 174 4.534 -5.746 2.439 1.00 43.15 C ATOM 0 H LEU B 174 1.090 -6.184 -0.875 1.00 32.33 H new ATOM 0 HA LEU B 174 3.090 -4.316 -1.321 1.00 44.15 H new ATOM 0 HB2 LEU B 174 2.337 -5.195 0.876 1.00 22.15 H new ATOM 0 HB3 LEU B 174 3.035 -6.756 0.495 1.00 22.15 H new ATOM 0 HG LEU B 174 5.293 -5.704 0.442 1.00 32.13 H new ATOM 0 HD11 LEU B 174 5.584 -3.466 1.415 1.00 13.11 H new ATOM 0 HD12 LEU B 174 4.645 -3.417 -0.096 1.00 13.11 H new ATOM 0 HD13 LEU B 174 3.816 -3.266 1.472 1.00 13.11 H new ATOM 0 HD21 LEU B 174 5.475 -5.433 2.891 1.00 43.15 H new ATOM 0 HD22 LEU B 174 3.703 -5.325 3.004 1.00 43.15 H new ATOM 0 HD23 LEU B 174 4.468 -6.834 2.454 1.00 43.15 H new ATOM 872 N GLU B 175 3.929 -7.411 -2.108 1.00 64.22 N ATOM 873 CA GLU B 175 4.872 -8.229 -2.779 1.00 34.22 C ATOM 874 C GLU B 175 5.165 -7.780 -4.221 1.00 30.54 C ATOM 875 O GLU B 175 6.252 -8.035 -4.743 1.00 40.22 O ATOM 876 CB GLU B 175 4.371 -9.645 -2.747 1.00 31.20 C ATOM 877 CG GLU B 175 4.427 -10.305 -1.377 1.00 63.55 C ATOM 878 CD GLU B 175 4.026 -11.755 -1.424 1.00 72.13 C ATOM 879 OE1 GLU B 175 4.804 -12.576 -1.972 1.00 12.05 O1- ATOM 880 OE2 GLU B 175 2.927 -12.117 -0.934 1.00 5.21 O ATOM 0 H GLU B 175 3.121 -7.927 -1.760 1.00 64.22 H new ATOM 0 HA GLU B 175 5.825 -8.142 -2.257 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.340 -9.660 -3.101 1.00 31.20 H new ATOM 0 HB3 GLU B 175 4.958 -10.240 -3.447 1.00 31.20 H new ATOM 0 HG2 GLU B 175 5.438 -10.223 -0.978 1.00 63.55 H new ATOM 0 HG3 GLU B 175 3.769 -9.771 -0.692 1.00 63.55 H new ATOM 887 N GLN B 176 4.223 -7.100 -4.844 1.00 53.05 N ATOM 888 CA GLN B 176 4.406 -6.622 -6.194 1.00 51.12 C ATOM 889 C GLN B 176 5.179 -5.321 -6.141 1.00 15.23 C ATOM 890 O GLN B 176 6.189 -5.133 -6.830 1.00 25.45 O ATOM 891 CB GLN B 176 3.056 -6.356 -6.833 1.00 22.05 C ATOM 892 CG GLN B 176 2.029 -7.437 -6.592 1.00 3.54 C ATOM 893 CD GLN B 176 2.476 -8.819 -7.041 1.00 35.11 C ATOM 894 OE1 GLN B 176 3.221 -8.976 -8.015 1.00 25.33 O ATOM 895 NE2 GLN B 176 2.067 -9.822 -6.312 1.00 12.14 N ATOM 0 H GLN B 176 3.320 -6.867 -4.432 1.00 53.05 H new ATOM 0 HA GLN B 176 4.944 -7.369 -6.777 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.667 -5.411 -6.453 1.00 22.05 H new ATOM 0 HB3 GLN B 176 3.193 -6.235 -7.908 1.00 22.05 H new ATOM 0 HG2 GLN B 176 1.792 -7.470 -5.529 1.00 3.54 H new ATOM 0 HG3 GLN B 176 1.110 -7.175 -7.115 1.00 3.54 H new ATOM 0 HE21 GLN B 176 1.452 -9.656 -5.515 1.00 12.14 H new ATOM 0 HE22 GLN B 176 2.362 -10.772 -6.539 1.00 12.14 H new ATOM 904 N LEU B 177 4.719 -4.449 -5.267 1.00 55.23 N ATOM 905 CA LEU B 177 5.270 -3.124 -5.085 1.00 50.03 C ATOM 906 C LEU B 177 6.652 -3.164 -4.474 1.00 2.24 C ATOM 907 O LEU B 177 7.391 -2.215 -4.550 1.00 11.31 O ATOM 908 CB LEU B 177 4.332 -2.305 -4.231 1.00 4.33 C ATOM 909 CG LEU B 177 4.692 -0.857 -4.023 1.00 13.40 C ATOM 910 CD1 LEU B 177 4.664 -0.133 -5.356 1.00 11.02 C ATOM 911 CD2 LEU B 177 3.759 -0.215 -3.008 1.00 54.44 C ATOM 0 H LEU B 177 3.932 -4.648 -4.649 1.00 55.23 H new ATOM 0 HA LEU B 177 5.372 -2.659 -6.066 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.340 -2.347 -4.680 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.260 -2.781 -3.253 1.00 4.33 H new ATOM 0 HG LEU B 177 5.701 -0.785 -3.618 1.00 13.40 H new ATOM 0 HD11 LEU B 177 4.924 0.915 -5.206 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.383 -0.592 -6.035 1.00 11.02 H new ATOM 0 HD13 LEU B 177 3.665 -0.201 -5.786 1.00 11.02 H new ATOM 0 HD21 LEU B 177 4.035 0.831 -2.871 1.00 54.44 H new ATOM 0 HD22 LEU B 177 2.732 -0.275 -3.369 1.00 54.44 H new ATOM 0 HD23 LEU B 177 3.841 -0.740 -2.056 1.00 54.44 H new ATOM 923 N GLN B 178 6.980 -4.250 -3.860 1.00 31.43 N ATOM 924 CA GLN B 178 8.331 -4.472 -3.289 1.00 34.22 C ATOM 925 C GLN B 178 9.450 -4.394 -4.324 1.00 43.53 C ATOM 926 O GLN B 178 10.619 -4.219 -3.973 1.00 33.40 O ATOM 927 CB GLN B 178 8.413 -5.765 -2.496 1.00 22.20 C ATOM 928 CG GLN B 178 7.707 -5.677 -1.160 1.00 63.12 C ATOM 929 CD GLN B 178 8.336 -4.632 -0.254 1.00 52.34 C ATOM 930 OE1 GLN B 178 7.964 -3.457 -0.282 1.00 3.53 O ATOM 931 NE2 GLN B 178 9.282 -5.046 0.542 1.00 12.22 N ATOM 0 H GLN B 178 6.340 -5.032 -3.722 1.00 31.43 H new ATOM 0 HA GLN B 178 8.489 -3.643 -2.599 1.00 34.22 H new ATOM 0 HB2 GLN B 178 7.975 -6.574 -3.081 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.460 -6.021 -2.333 1.00 22.20 H new ATOM 0 HG2 GLN B 178 6.657 -5.434 -1.320 1.00 63.12 H new ATOM 0 HG3 GLN B 178 7.738 -6.649 -0.668 1.00 63.12 H new ATOM 0 HE21 GLN B 178 9.561 -6.027 0.535 1.00 12.22 H new ATOM 0 HE22 GLN B 178 9.743 -4.389 1.172 1.00 12.22 H new ATOM 940 N SER B 179 9.096 -4.474 -5.585 1.00 11.02 N ATOM 941 CA SER B 179 10.045 -4.333 -6.671 1.00 25.41 C ATOM 942 C SER B 179 10.272 -2.836 -7.004 1.00 10.24 C ATOM 943 O SER B 179 10.838 -2.489 -8.042 1.00 40.01 O ATOM 944 CB SER B 179 9.510 -5.088 -7.874 1.00 32.12 C ATOM 945 OG SER B 179 9.269 -6.448 -7.523 1.00 64.32 O ATOM 0 H SER B 179 8.137 -4.640 -5.891 1.00 11.02 H new ATOM 0 HA SER B 179 11.010 -4.749 -6.382 1.00 25.41 H new ATOM 0 HB2 SER B 179 8.588 -4.625 -8.225 1.00 32.12 H new ATOM 0 HB3 SER B 179 10.225 -5.036 -8.695 1.00 32.12 H new ATOM 0 HG SER B 179 8.922 -6.930 -8.302 1.00 64.32 H new ATOM 951 N HIS B 180 9.831 -1.978 -6.095 1.00 24.01 N ATOM 952 CA HIS B 180 9.953 -0.536 -6.235 1.00 14.12 C ATOM 953 C HIS B 180 11.393 -0.071 -6.188 1.00 13.51 C ATOM 954 O HIS B 180 12.163 -0.489 -5.327 1.00 60.24 O ATOM 955 CB HIS B 180 9.116 0.235 -5.163 1.00 1.42 C ATOM 956 CG HIS B 180 9.523 0.020 -3.704 1.00 74.51 C ATOM 957 ND1 HIS B 180 8.833 -0.801 -2.848 1.00 63.40 N ATOM 958 CD2 HIS B 180 10.533 0.542 -2.966 1.00 44.44 C ATOM 959 CE1 HIS B 180 9.390 -0.780 -1.664 1.00 71.54 C ATOM 960 NE2 HIS B 180 10.423 0.023 -1.704 1.00 34.33 N ATOM 0 H HIS B 180 9.374 -2.268 -5.231 1.00 24.01 H new ATOM 0 HA HIS B 180 9.551 -0.304 -7.221 1.00 14.12 H new ATOM 0 HB2 HIS B 180 9.178 1.301 -5.382 1.00 1.42 H new ATOM 0 HB3 HIS B 180 8.070 -0.053 -5.273 1.00 1.42 H new ATOM 0 HD1 HIS B 180 8.008 -1.347 -3.098 1.00 63.40 H new ATOM 0 HD2 HIS B 180 11.284 1.238 -3.309 1.00 44.44 H new ATOM 0 HE1 HIS B 180 9.054 -1.332 -0.799 1.00 71.54 H new ATOM 969 N GLU B 181 11.736 0.778 -7.103 1.00 2.23 N ATOM 970 CA GLU B 181 13.026 1.415 -7.104 1.00 3.54 C ATOM 971 C GLU B 181 12.862 2.821 -6.557 1.00 21.45 C ATOM 972 O GLU B 181 13.801 3.411 -6.005 1.00 41.00 O ATOM 973 CB GLU B 181 13.599 1.474 -8.515 1.00 22.41 C ATOM 974 CG GLU B 181 13.793 0.119 -9.162 1.00 21.45 C ATOM 975 CD GLU B 181 14.423 0.230 -10.516 1.00 4.11 C ATOM 976 OE1 GLU B 181 15.658 0.335 -10.596 1.00 34.25 O1- ATOM 977 OE2 GLU B 181 13.710 0.221 -11.528 1.00 21.44 O ATOM 0 H GLU B 181 11.131 1.054 -7.876 1.00 2.23 H new ATOM 0 HA GLU B 181 13.716 0.842 -6.485 1.00 3.54 H new ATOM 0 HB2 GLU B 181 12.935 2.071 -9.140 1.00 22.41 H new ATOM 0 HB3 GLU B 181 14.558 1.991 -8.484 1.00 22.41 H new ATOM 0 HG2 GLU B 181 14.418 -0.503 -8.521 1.00 21.45 H new ATOM 0 HG3 GLU B 181 12.829 -0.382 -9.250 1.00 21.45 H new ATOM 984 N ASN B 182 11.641 3.327 -6.676 1.00 1.10 N ATOM 985 CA ASN B 182 11.289 4.681 -6.269 1.00 51.53 C ATOM 986 C ASN B 182 11.386 4.861 -4.798 1.00 31.02 C ATOM 987 O ASN B 182 10.872 4.072 -3.984 1.00 72.11 O ATOM 988 CB ASN B 182 9.920 5.094 -6.809 1.00 70.24 C ATOM 989 CG ASN B 182 9.573 6.531 -6.506 1.00 71.13 C ATOM 990 OD1 ASN B 182 9.000 6.834 -5.466 1.00 53.24 O ATOM 991 ND2 ASN B 182 9.903 7.415 -7.403 1.00 41.44 N ATOM 0 H ASN B 182 10.857 2.801 -7.063 1.00 1.10 H new ATOM 0 HA ASN B 182 12.023 5.352 -6.715 1.00 51.53 H new ATOM 0 HB2 ASN B 182 9.901 4.942 -7.888 1.00 70.24 H new ATOM 0 HB3 ASN B 182 9.156 4.444 -6.382 1.00 70.24 H new ATOM 0 HD21 ASN B 182 9.685 8.400 -7.253 1.00 41.44 H new ATOM 0 HD22 ASN B 182 10.379 7.123 -8.256 1.00 41.44 H new ATOM 998 N GLU B 183 12.016 5.935 -4.492 1.00 21.41 N ATOM 999 CA GLU B 183 12.418 6.300 -3.197 1.00 75.53 C ATOM 1000 C GLU B 183 11.245 6.776 -2.339 1.00 53.13 C ATOM 1001 O GLU B 183 11.284 6.684 -1.121 1.00 62.23 O ATOM 1002 CB GLU B 183 13.443 7.387 -3.376 1.00 4.41 C ATOM 1003 CG GLU B 183 12.860 8.777 -3.637 1.00 71.12 C ATOM 1004 CD GLU B 183 13.881 9.761 -4.119 1.00 70.35 C ATOM 1005 OE1 GLU B 183 14.299 9.662 -5.284 1.00 10.34 O1- ATOM 1006 OE2 GLU B 183 14.286 10.653 -3.350 1.00 74.32 O ATOM 0 H GLU B 183 12.280 6.626 -5.194 1.00 21.41 H new ATOM 0 HA GLU B 183 12.830 5.443 -2.665 1.00 75.53 H new ATOM 0 HB2 GLU B 183 14.066 7.431 -2.483 1.00 4.41 H new ATOM 0 HB3 GLU B 183 14.095 7.119 -4.207 1.00 4.41 H new ATOM 0 HG2 GLU B 183 12.063 8.697 -4.377 1.00 71.12 H new ATOM 0 HG3 GLU B 183 12.407 9.153 -2.720 1.00 71.12 H new ATOM 1013 N LYS B 184 10.208 7.273 -2.971 1.00 31.52 N ATOM 1014 CA LYS B 184 9.077 7.774 -2.244 1.00 55.01 C ATOM 1015 C LYS B 184 8.207 6.605 -1.850 1.00 72.22 C ATOM 1016 O LYS B 184 7.706 6.527 -0.735 1.00 13.24 O ATOM 1017 CB LYS B 184 8.304 8.793 -3.088 1.00 13.15 C ATOM 1018 CG LYS B 184 9.168 9.966 -3.552 1.00 23.11 C ATOM 1019 CD LYS B 184 8.448 10.965 -4.477 1.00 51.20 C ATOM 1020 CE LYS B 184 7.378 11.829 -3.782 1.00 41.21 C ATOM 1021 NZ LYS B 184 6.150 11.088 -3.404 1.00 13.42 N1+ ATOM 0 H LYS B 184 10.129 7.339 -3.986 1.00 31.52 H new ATOM 0 HA LYS B 184 9.408 8.292 -1.344 1.00 55.01 H new ATOM 0 HB2 LYS B 184 7.885 8.291 -3.960 1.00 13.15 H new ATOM 0 HB3 LYS B 184 7.465 9.175 -2.507 1.00 13.15 H new ATOM 0 HG2 LYS B 184 9.533 10.501 -2.675 1.00 23.11 H new ATOM 0 HG3 LYS B 184 10.042 9.573 -4.072 1.00 23.11 H new ATOM 0 HD2 LYS B 184 9.191 11.623 -4.927 1.00 51.20 H new ATOM 0 HD3 LYS B 184 7.977 10.412 -5.290 1.00 51.20 H new ATOM 0 HE2 LYS B 184 7.811 12.273 -2.886 1.00 41.21 H new ATOM 0 HE3 LYS B 184 7.104 12.650 -4.444 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 5.323 11.709 -3.510 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 6.041 10.258 -4.021 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 6.223 10.776 -2.415 1.00 13.42 H new ATOM 1035 N ILE B 185 8.125 5.644 -2.755 1.00 60.21 N ATOM 1036 CA ILE B 185 7.339 4.441 -2.554 1.00 75.21 C ATOM 1037 C ILE B 185 7.960 3.558 -1.453 1.00 0.43 C ATOM 1038 O ILE B 185 7.277 2.765 -0.810 1.00 60.43 O ATOM 1039 CB ILE B 185 7.192 3.655 -3.885 1.00 72.20 C ATOM 1040 CG1 ILE B 185 6.451 4.542 -4.878 1.00 53.13 C ATOM 1041 CG2 ILE B 185 6.443 2.337 -3.677 1.00 64.03 C ATOM 1042 CD1 ILE B 185 6.185 3.925 -6.222 1.00 52.31 C ATOM 0 H ILE B 185 8.605 5.678 -3.654 1.00 60.21 H new ATOM 0 HA ILE B 185 6.342 4.734 -2.224 1.00 75.21 H new ATOM 0 HB ILE B 185 8.180 3.400 -4.268 1.00 72.20 H new ATOM 0 HG12 ILE B 185 5.498 4.835 -4.437 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.028 5.455 -5.024 1.00 53.13 H new ATOM 0 HG21 ILE B 185 6.358 1.813 -4.629 1.00 64.03 H new ATOM 0 HG22 ILE B 185 6.990 1.716 -2.968 1.00 64.03 H new ATOM 0 HG23 ILE B 185 5.447 2.543 -3.286 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.654 4.639 -6.851 1.00 52.31 H new ATOM 0 HD12 ILE B 185 7.131 3.659 -6.694 1.00 52.31 H new ATOM 0 HD13 ILE B 185 5.577 3.029 -6.097 1.00 52.31 H new ATOM 1054 N GLN B 186 9.264 3.723 -1.236 1.00 51.04 N ATOM 1055 CA GLN B 186 10.001 3.032 -0.197 1.00 13.34 C ATOM 1056 C GLN B 186 9.342 3.306 1.171 1.00 43.21 C ATOM 1057 O GLN B 186 9.177 2.405 1.993 1.00 14.42 O ATOM 1058 CB GLN B 186 11.440 3.559 -0.231 1.00 3.31 C ATOM 1059 CG GLN B 186 12.507 2.580 0.198 1.00 30.13 C ATOM 1060 CD GLN B 186 12.553 2.274 1.690 1.00 33.34 C ATOM 1061 OE1 GLN B 186 13.238 2.958 2.449 1.00 41.14 O ATOM 1062 NE2 GLN B 186 11.887 1.241 2.117 1.00 12.44 N ATOM 0 H GLN B 186 9.842 4.354 -1.791 1.00 51.04 H new ATOM 0 HA GLN B 186 9.998 1.954 -0.356 1.00 13.34 H new ATOM 0 HB2 GLN B 186 11.663 3.889 -1.246 1.00 3.31 H new ATOM 0 HB3 GLN B 186 11.501 4.438 0.410 1.00 3.31 H new ATOM 0 HG2 GLN B 186 12.357 1.645 -0.343 1.00 30.13 H new ATOM 0 HG3 GLN B 186 13.478 2.971 -0.105 1.00 30.13 H new ATOM 0 HE21 GLN B 186 11.327 0.691 1.466 1.00 12.44 H new ATOM 0 HE22 GLN B 186 11.925 0.981 3.103 1.00 12.44 H new ATOM 1071 N LYS B 187 8.922 4.533 1.369 1.00 22.52 N ATOM 1072 CA LYS B 187 8.275 4.930 2.593 1.00 74.33 C ATOM 1073 C LYS B 187 6.838 4.417 2.619 1.00 72.42 C ATOM 1074 O LYS B 187 6.341 3.952 3.650 1.00 44.24 O ATOM 1075 CB LYS B 187 8.269 6.435 2.682 1.00 51.52 C ATOM 1076 CG LYS B 187 7.841 6.924 4.034 1.00 61.53 C ATOM 1077 CD LYS B 187 7.873 8.413 4.127 1.00 22.21 C ATOM 1078 CE LYS B 187 6.867 9.060 3.185 1.00 31.44 C ATOM 1079 NZ LYS B 187 6.875 10.524 3.281 1.00 31.33 N1+ ATOM 0 H LYS B 187 9.020 5.283 0.685 1.00 22.52 H new ATOM 0 HA LYS B 187 8.818 4.508 3.439 1.00 74.33 H new ATOM 0 HB2 LYS B 187 9.267 6.814 2.460 1.00 51.52 H new ATOM 0 HB3 LYS B 187 7.599 6.839 1.923 1.00 51.52 H new ATOM 0 HG2 LYS B 187 6.832 6.569 4.245 1.00 61.53 H new ATOM 0 HG3 LYS B 187 8.494 6.499 4.796 1.00 61.53 H new ATOM 0 HD2 LYS B 187 7.660 8.718 5.152 1.00 22.21 H new ATOM 0 HD3 LYS B 187 8.875 8.771 3.890 1.00 22.21 H new ATOM 0 HE2 LYS B 187 7.090 8.764 2.160 1.00 31.44 H new ATOM 0 HE3 LYS B 187 5.868 8.689 3.413 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 6.174 10.919 2.622 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 6.636 10.810 4.252 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 7.820 10.883 3.037 1.00 31.33 H new ATOM 1093 N GLU B 188 6.209 4.468 1.469 1.00 1.40 N ATOM 1094 CA GLU B 188 4.806 4.114 1.302 1.00 41.11 C ATOM 1095 C GLU B 188 4.535 2.620 1.491 1.00 55.30 C ATOM 1096 O GLU B 188 3.537 2.241 2.087 1.00 1.32 O ATOM 1097 CB GLU B 188 4.339 4.549 -0.070 1.00 0.21 C ATOM 1098 CG GLU B 188 4.518 6.034 -0.338 1.00 71.14 C ATOM 1099 CD GLU B 188 3.818 6.904 0.678 1.00 11.41 C ATOM 1100 OE1 GLU B 188 4.432 7.263 1.714 1.00 31.44 O ATOM 1101 OE2 GLU B 188 2.658 7.279 0.455 1.00 62.41 O1- ATOM 0 H GLU B 188 6.660 4.761 0.602 1.00 1.40 H new ATOM 0 HA GLU B 188 4.249 4.634 2.082 1.00 41.11 H new ATOM 0 HB2 GLU B 188 4.886 3.985 -0.825 1.00 0.21 H new ATOM 0 HB3 GLU B 188 3.285 4.294 -0.182 1.00 0.21 H new ATOM 0 HG2 GLU B 188 5.582 6.272 -0.341 1.00 71.14 H new ATOM 0 HG3 GLU B 188 4.137 6.267 -1.332 1.00 71.14 H new ATOM 1108 N ALA B 189 5.420 1.782 0.982 1.00 22.15 N ATOM 1109 CA ALA B 189 5.263 0.329 1.087 1.00 34.34 C ATOM 1110 C ALA B 189 5.256 -0.105 2.549 1.00 10.01 C ATOM 1111 O ALA B 189 4.445 -0.939 2.970 1.00 70.11 O ATOM 1112 CB ALA B 189 6.377 -0.372 0.330 1.00 52.44 C ATOM 0 H ALA B 189 6.262 2.078 0.488 1.00 22.15 H new ATOM 0 HA ALA B 189 4.308 0.049 0.643 1.00 34.34 H new ATOM 0 HB1 ALA B 189 6.251 -1.451 0.414 1.00 52.44 H new ATOM 0 HB2 ALA B 189 6.341 -0.083 -0.720 1.00 52.44 H new ATOM 0 HB3 ALA B 189 7.340 -0.085 0.752 1.00 52.44 H new ATOM 1118 N GLN B 190 6.130 0.510 3.320 1.00 64.45 N ATOM 1119 CA GLN B 190 6.261 0.240 4.730 1.00 73.23 C ATOM 1120 C GLN B 190 5.021 0.634 5.520 1.00 61.30 C ATOM 1121 O GLN B 190 4.813 0.121 6.598 1.00 21.21 O ATOM 1122 CB GLN B 190 7.476 0.943 5.287 1.00 2.33 C ATOM 1123 CG GLN B 190 8.774 0.455 4.702 1.00 20.12 C ATOM 1124 CD GLN B 190 9.959 1.179 5.281 1.00 2.31 C ATOM 1125 OE1 GLN B 190 10.513 0.781 6.299 1.00 32.22 O ATOM 1126 NE2 GLN B 190 10.381 2.222 4.623 1.00 62.14 N ATOM 0 H GLN B 190 6.776 1.220 2.976 1.00 64.45 H new ATOM 0 HA GLN B 190 6.380 -0.838 4.837 1.00 73.23 H new ATOM 0 HB2 GLN B 190 7.383 2.013 5.102 1.00 2.33 H new ATOM 0 HB3 GLN B 190 7.500 0.807 6.368 1.00 2.33 H new ATOM 0 HG2 GLN B 190 8.876 -0.614 4.887 1.00 20.12 H new ATOM 0 HG3 GLN B 190 8.759 0.591 3.621 1.00 20.12 H new ATOM 0 HE21 GLN B 190 9.894 2.524 3.779 1.00 62.14 H new ATOM 0 HE22 GLN B 190 11.198 2.736 4.952 1.00 62.14 H new ATOM 1135 N GLU B 191 4.199 1.522 4.964 1.00 20.43 N ATOM 1136 CA GLU B 191 2.987 1.994 5.634 1.00 21.04 C ATOM 1137 C GLU B 191 2.043 0.818 5.934 1.00 11.53 C ATOM 1138 O GLU B 191 1.802 0.488 7.087 1.00 43.14 O ATOM 1139 CB GLU B 191 2.285 3.053 4.756 1.00 13.23 C ATOM 1140 CG GLU B 191 1.005 3.640 5.332 1.00 73.14 C ATOM 1141 CD GLU B 191 1.224 4.324 6.650 1.00 25.30 C ATOM 1142 OE1 GLU B 191 1.709 5.473 6.679 1.00 14.54 O1- ATOM 1143 OE2 GLU B 191 0.945 3.729 7.678 1.00 63.00 O ATOM 0 H GLU B 191 4.352 1.933 4.043 1.00 20.43 H new ATOM 0 HA GLU B 191 3.261 2.453 6.584 1.00 21.04 H new ATOM 0 HB2 GLU B 191 2.985 3.867 4.570 1.00 13.23 H new ATOM 0 HB3 GLU B 191 2.055 2.604 3.790 1.00 13.23 H new ATOM 0 HG2 GLU B 191 0.586 4.353 4.622 1.00 73.14 H new ATOM 0 HG3 GLU B 191 0.270 2.845 5.457 1.00 73.14 H new ATOM 1150 N ALA B 192 1.599 0.132 4.895 1.00 12.05 N ATOM 1151 CA ALA B 192 0.659 -0.980 5.069 1.00 52.44 C ATOM 1152 C ALA B 192 1.342 -2.174 5.720 1.00 63.31 C ATOM 1153 O ALA B 192 0.693 -2.937 6.429 1.00 62.12 O ATOM 1154 CB ALA B 192 0.031 -1.379 3.735 1.00 12.11 C ATOM 0 H ALA B 192 1.866 0.317 3.928 1.00 12.05 H new ATOM 0 HA ALA B 192 -0.138 -0.642 5.732 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.662 -2.206 3.892 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -0.508 -0.528 3.317 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.814 -1.688 3.042 1.00 12.11 H new ATOM 1160 N LEU B 193 2.659 -2.289 5.499 1.00 21.32 N ATOM 1161 CA LEU B 193 3.492 -3.353 6.040 1.00 65.15 C ATOM 1162 C LEU B 193 3.310 -3.370 7.536 1.00 0.51 C ATOM 1163 O LEU B 193 2.801 -4.321 8.124 1.00 31.01 O ATOM 1164 CB LEU B 193 4.958 -2.990 5.706 1.00 24.10 C ATOM 1165 CG LEU B 193 6.068 -4.016 5.981 1.00 35.55 C ATOM 1166 CD1 LEU B 193 7.285 -3.691 5.127 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.475 -3.940 7.436 1.00 3.03 C ATOM 0 H LEU B 193 3.179 -1.626 4.925 1.00 21.32 H new ATOM 0 HA LEU B 193 3.232 -4.327 5.626 1.00 65.15 H new ATOM 0 HB2 LEU B 193 5.000 -2.738 4.646 1.00 24.10 H new ATOM 0 HB3 LEU B 193 5.205 -2.084 6.259 1.00 24.10 H new ATOM 0 HG LEU B 193 5.697 -5.013 5.744 1.00 35.55 H new ATOM 0 HD11 LEU B 193 8.072 -4.419 5.323 1.00 41.22 H new ATOM 0 HD12 LEU B 193 7.010 -3.728 4.073 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.646 -2.692 5.373 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.263 -4.668 7.632 1.00 3.03 H new ATOM 0 HD22 LEU B 193 6.843 -2.938 7.659 1.00 3.03 H new ATOM 0 HD23 LEU B 193 5.613 -4.159 8.067 1.00 3.03 H new ATOM 1179 N GLU B 194 3.680 -2.265 8.094 1.00 32.42 N ATOM 1180 CA GLU B 194 3.665 -1.952 9.413 1.00 1.13 C ATOM 1181 C GLU B 194 2.307 -2.139 10.043 1.00 25.31 C ATOM 1182 O GLU B 194 2.144 -2.830 11.054 1.00 45.10 O ATOM 1183 CB GLU B 194 4.006 -0.508 9.373 1.00 42.50 C ATOM 1184 CG GLU B 194 3.853 0.127 10.651 1.00 61.52 C ATOM 1185 CD GLU B 194 4.451 1.492 10.724 1.00 43.35 C ATOM 1186 OE1 GLU B 194 3.879 2.434 10.156 1.00 14.30 O1- ATOM 1187 OE2 GLU B 194 5.511 1.656 11.343 1.00 73.13 O ATOM 0 H GLU B 194 4.037 -1.492 7.532 1.00 32.42 H new ATOM 0 HA GLU B 194 4.333 -2.579 10.003 1.00 1.13 H new ATOM 0 HB2 GLU B 194 5.035 -0.390 9.033 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.370 -0.007 8.643 1.00 42.50 H new ATOM 0 HG2 GLU B 194 2.791 0.193 10.888 1.00 61.52 H new ATOM 0 HG3 GLU B 194 4.311 -0.501 11.415 1.00 61.52 H new ATOM 1194 N LYS B 195 1.377 -1.486 9.458 1.00 35.45 N ATOM 1195 CA LYS B 195 0.060 -1.416 9.913 1.00 0.22 C ATOM 1196 C LYS B 195 -0.692 -2.761 9.942 1.00 34.32 C ATOM 1197 O LYS B 195 -1.524 -2.982 10.844 1.00 24.42 O ATOM 1198 CB LYS B 195 -0.667 -0.362 9.124 1.00 52.22 C ATOM 1199 CG LYS B 195 -0.145 1.067 9.315 1.00 23.11 C ATOM 1200 CD LYS B 195 -0.034 1.454 10.783 1.00 42.32 C ATOM 1201 CE LYS B 195 0.234 2.944 10.959 1.00 61.10 C ATOM 1202 NZ LYS B 195 1.405 3.424 10.193 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.533 -0.958 8.599 1.00 35.45 H new ATOM 0 HA LYS B 195 0.095 -1.135 10.966 1.00 0.22 H new ATOM 0 HB2 LYS B 195 -0.607 -0.616 8.066 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -1.722 -0.387 9.399 1.00 52.22 H new ATOM 0 HG2 LYS B 195 0.833 1.160 8.843 1.00 23.11 H new ATOM 0 HG3 LYS B 195 -0.811 1.765 8.808 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -0.956 1.187 11.299 1.00 42.32 H new ATOM 0 HD3 LYS B 195 0.769 0.883 11.249 1.00 42.32 H new ATOM 0 HE2 LYS B 195 -0.648 3.504 10.649 1.00 61.10 H new ATOM 0 HE3 LYS B 195 0.390 3.155 12.017 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 1.573 4.427 10.409 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 2.244 2.868 10.456 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 1.223 3.314 9.175 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.442 -3.661 8.995 1.00 42.45 N ATOM 1217 CA LEU B 196 -1.089 -4.899 9.036 1.00 65.11 C ATOM 1218 C LEU B 196 -0.335 -5.864 9.917 1.00 32.01 C ATOM 1219 O LEU B 196 -0.952 -6.650 10.637 1.00 22.43 O ATOM 1220 CB LEU B 196 -1.261 -5.463 7.640 1.00 75.42 C ATOM 1221 CG LEU B 196 -0.061 -6.118 6.945 1.00 24.30 C ATOM 1222 CD1 LEU B 196 -0.039 -7.625 7.210 1.00 63.01 C ATOM 1223 CD2 LEU B 196 -0.080 -5.817 5.460 1.00 63.35 C ATOM 0 H LEU B 196 0.200 -3.528 8.214 1.00 42.45 H new ATOM 0 HA LEU B 196 -2.081 -4.752 9.464 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -2.060 -6.203 7.681 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.609 -4.653 6.999 1.00 75.42 H new ATOM 0 HG LEU B 196 0.855 -5.697 7.360 1.00 24.30 H new ATOM 0 HD11 LEU B 196 0.820 -8.070 6.708 1.00 63.01 H new ATOM 0 HD12 LEU B 196 0.034 -7.805 8.283 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -0.956 -8.075 6.828 1.00 63.01 H new ATOM 0 HD21 LEU B 196 0.778 -6.289 4.982 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -0.999 -6.206 5.022 1.00 63.35 H new ATOM 0 HD23 LEU B 196 -0.033 -4.739 5.307 1.00 63.35 H new ATOM 1235 N GLN B 197 0.994 -5.807 9.866 1.00 54.12 N ATOM 1236 CA GLN B 197 1.801 -6.714 10.635 1.00 1.52 C ATOM 1237 C GLN B 197 1.722 -6.350 12.093 1.00 14.31 C ATOM 1238 O GLN B 197 2.179 -5.280 12.497 1.00 23.34 O ATOM 1239 CB GLN B 197 3.249 -6.740 10.173 1.00 12.04 C ATOM 1240 CG GLN B 197 3.456 -7.353 8.807 1.00 14.33 C ATOM 1241 CD GLN B 197 4.902 -7.318 8.377 1.00 33.32 C ATOM 1242 OE1 GLN B 197 5.820 -7.357 9.206 1.00 54.42 O ATOM 1243 NE2 GLN B 197 5.123 -7.250 7.094 1.00 34.25 N ATOM 0 H GLN B 197 1.520 -5.142 9.300 1.00 54.12 H new ATOM 0 HA GLN B 197 1.404 -7.718 10.483 1.00 1.52 H new ATOM 0 HB2 GLN B 197 3.633 -5.720 10.162 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.840 -7.296 10.901 1.00 12.04 H new ATOM 0 HG2 GLN B 197 3.107 -8.386 8.818 1.00 14.33 H new ATOM 0 HG3 GLN B 197 2.849 -6.819 8.076 1.00 14.33 H new ATOM 0 HE21 GLN B 197 4.339 -7.220 6.442 1.00 34.25 H new ATOM 0 HE22 GLN B 197 6.080 -7.227 6.742 1.00 34.25 H new ATOM 1252 N SER B 198 1.147 -7.219 12.860 1.00 33.54 N ATOM 1253 CA SER B 198 0.882 -6.991 14.245 1.00 12.43 C ATOM 1254 C SER B 198 2.151 -6.768 15.069 1.00 1.54 C ATOM 1255 O SER B 198 3.142 -7.509 14.951 1.00 24.20 O ATOM 1256 CB SER B 198 0.084 -8.162 14.773 1.00 25.00 C ATOM 1257 OG SER B 198 -1.063 -8.384 13.952 1.00 4.45 O ATOM 0 H SER B 198 0.839 -8.134 12.531 1.00 33.54 H new ATOM 0 HA SER B 198 0.311 -6.068 14.341 1.00 12.43 H new ATOM 0 HB2 SER B 198 0.706 -9.057 14.792 1.00 25.00 H new ATOM 0 HB3 SER B 198 -0.226 -7.967 15.800 1.00 25.00 H new ATOM 0 HG SER B 198 -1.572 -9.145 14.301 1.00 4.45 H new ATOM 1263 N HIS B 199 2.119 -5.714 15.850 1.00 64.41 N ATOM 1264 CA HIS B 199 3.153 -5.376 16.782 1.00 72.30 C ATOM 1265 C HIS B 199 2.584 -4.352 17.732 1.00 63.44 C ATOM 1266 O HIS B 199 2.192 -4.731 18.844 1.00 64.51 O ATOM 1267 CB HIS B 199 4.426 -4.848 16.095 1.00 55.12 C ATOM 1268 CG HIS B 199 5.564 -4.630 17.054 1.00 44.44 C ATOM 1269 ND1 HIS B 199 6.052 -3.391 17.387 1.00 1.01 N ATOM 1270 CD2 HIS B 199 6.302 -5.518 17.756 1.00 11.40 C ATOM 1271 CE1 HIS B 199 7.031 -3.526 18.253 1.00 1.32 C ATOM 1272 NE2 HIS B 199 7.206 -4.806 18.494 1.00 12.31 N ATOM 0 H HIS B 199 1.344 -5.050 15.849 1.00 64.41 H new ATOM 0 HA HIS B 199 3.464 -6.274 17.316 1.00 72.30 H new ATOM 0 HB2 HIS B 199 4.737 -5.555 15.326 1.00 55.12 H new ATOM 0 HB3 HIS B 199 4.198 -3.909 15.591 1.00 55.12 H new ATOM 0 HD2 HIS B 199 6.197 -6.593 17.737 1.00 11.40 H new ATOM 0 HE1 HIS B 199 7.598 -2.719 18.694 1.00 1.32 H new ATOM 0 HE2 HIS B 199 7.901 -5.202 19.127 1.00 12.31 H new