USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 411 MET CE :methyl 143:sc= -2.76! (180deg=-4.37!) USER MOD Set 1.2: A 450 MET CE :methyl -164:sc= -5.18! (180deg=-6.43!) USER MOD Set 2.1: A 421 HIS : no HE2:sc= -3.13! C(o=-7!,f=-5.1!) USER MOD Set 2.2: A 442 CYS SG : rot 174:sc= -0.691 USER MOD Set 2.3: A 444 ASN : amide:sc= -3.17! K(o=-7!,f=-3.4) USER MOD Set 3.1: A 356 TYR OH : rot -37:sc= -0.491 USER MOD Set 3.2: A 358 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0.111) USER MOD Single : A 343 THR OG1 : rot 23:sc= 0.644 USER MOD Single : A 344 TYR OH : rot 99:sc= 0.5 USER MOD Single : A 351 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 352 GLN : amide:sc= -4.22! C(o=-4.2!,f=-2.5!) USER MOD Single : A 353 HIS : no HE2:sc= -6.91! C(o=-6.9!,f=-7.3!) USER MOD Single : A 354 MET CE :methyl -130:sc= -5.08! (180deg=-6.83!) USER MOD Single : A 357 TYR OH : rot 180:sc= 0 USER MOD Single : A 361 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 366 THR OG1 : rot 41:sc= -5.48! USER MOD Single : A 370 SER OG : rot 139:sc= -0.447 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 374 THR OG1 : rot 110:sc= -2.76! USER MOD Single : A 375 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 377 THR OG1 : rot -15:sc= 0.967 USER MOD Single : A 383 TYR OH : rot -99:sc= 0.749 USER MOD Single : A 386 ASN : amide:sc= -1.52! X(o=-1.5!,f=-1.3) USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 THR OG1 : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 SER OG : rot 180:sc=-0.00242 USER MOD Single : A 408 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 409 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 SER OG : rot 180:sc= 0 USER MOD Single : A 429 TYR OH : rot -132:sc= -3.91! USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 440 HIS : no HD1:sc= -0.0289 X(o=-0.029,f=-0.16) USER MOD Single : A 445 THR OG1 : rot -137:sc= 0.897 USER MOD Single : A 448 SER OG : rot 180:sc= -0.0856 USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 MET CE :methyl -106:sc= -21.1! (180deg=-29.8!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 THR OG1 : rot -140:sc= -0.13 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 342 18.251 0.688 6.311 1.00 0.24 N ATOM 61 CA ASP A 342 17.506 1.690 5.583 1.00 0.20 C ATOM 62 C ASP A 342 17.023 1.108 4.271 1.00 0.17 C ATOM 63 O ASP A 342 17.628 1.323 3.226 1.00 0.19 O ATOM 64 CB ASP A 342 18.353 2.933 5.277 1.00 0.22 C ATOM 65 CG ASP A 342 19.053 3.526 6.482 1.00 0.31 C ATOM 66 OD1 ASP A 342 18.455 4.383 7.163 1.00 0.39 O ATOM 67 OD2 ASP A 342 20.221 3.163 6.734 1.00 0.43 O1- ATOM 0 HA ASP A 342 16.668 1.990 6.212 1.00 0.20 H new ATOM 0 HB2 ASP A 342 19.102 2.672 4.529 1.00 0.22 H new ATOM 0 HB3 ASP A 342 17.711 3.695 4.834 1.00 0.22 H new ATOM 72 N THR A 343 15.916 0.398 4.344 1.00 0.13 N ATOM 73 CA THR A 343 15.158 -0.023 3.185 1.00 0.10 C ATOM 74 C THR A 343 13.747 -0.347 3.619 1.00 0.08 C ATOM 75 O THR A 343 13.557 -0.973 4.663 1.00 0.10 O ATOM 76 CB THR A 343 15.738 -1.251 2.468 1.00 0.11 C ATOM 77 OG1 THR A 343 17.016 -0.943 1.893 1.00 0.14 O ATOM 78 CG2 THR A 343 14.773 -1.690 1.380 1.00 0.08 C ATOM 0 H THR A 343 15.510 0.092 5.228 1.00 0.13 H new ATOM 0 HA THR A 343 15.195 0.803 2.475 1.00 0.10 H new ATOM 0 HB THR A 343 15.874 -2.056 3.190 1.00 0.11 H new ATOM 0 HG1 THR A 343 17.409 -0.176 2.360 1.00 0.14 H new ATOM 0 HG21 THR A 343 15.177 -2.562 0.865 1.00 0.08 H new ATOM 0 HG22 THR A 343 13.812 -1.945 1.827 1.00 0.08 H new ATOM 0 HG23 THR A 343 14.636 -0.878 0.666 1.00 0.08 H new ATOM 86 N TYR A 344 12.768 0.066 2.831 1.00 0.07 N ATOM 87 CA TYR A 344 11.375 -0.122 3.199 1.00 0.06 C ATOM 88 C TYR A 344 10.458 0.550 2.214 1.00 0.06 C ATOM 89 O TYR A 344 10.866 1.430 1.491 1.00 0.06 O ATOM 90 CB TYR A 344 11.116 0.496 4.559 1.00 0.08 C ATOM 91 CG TYR A 344 11.521 1.953 4.658 1.00 0.09 C ATOM 92 CD1 TYR A 344 12.814 2.283 5.022 1.00 0.12 C ATOM 93 CD2 TYR A 344 10.626 2.984 4.407 1.00 0.09 C ATOM 94 CE1 TYR A 344 13.212 3.599 5.137 1.00 0.13 C ATOM 95 CE2 TYR A 344 11.010 4.303 4.515 1.00 0.11 C ATOM 96 CZ TYR A 344 12.306 4.608 4.883 1.00 0.13 C ATOM 97 OH TYR A 344 12.691 5.925 5.004 1.00 0.15 O ATOM 0 H TYR A 344 12.912 0.532 1.935 1.00 0.07 H new ATOM 0 HA TYR A 344 11.181 -1.194 3.211 1.00 0.06 H new ATOM 0 HB2 TYR A 344 10.055 0.407 4.791 1.00 0.08 H new ATOM 0 HB3 TYR A 344 11.657 -0.074 5.315 1.00 0.08 H new ATOM 0 HD1 TYR A 344 13.526 1.495 5.220 1.00 0.12 H new ATOM 0 HD2 TYR A 344 9.611 2.748 4.122 1.00 0.09 H new ATOM 0 HE1 TYR A 344 14.226 3.838 5.424 1.00 0.13 H new ATOM 0 HE2 TYR A 344 10.302 5.093 4.313 1.00 0.11 H new ATOM 0 HH TYR A 344 12.909 6.285 4.119 1.00 0.15 H new ATOM 107 N ILE A 345 9.219 0.116 2.174 1.00 0.06 N ATOM 108 CA ILE A 345 8.194 0.886 1.524 1.00 0.06 C ATOM 109 C ILE A 345 7.789 2.012 2.412 1.00 0.07 C ATOM 110 O ILE A 345 7.908 1.930 3.626 1.00 0.08 O ATOM 111 CB ILE A 345 6.917 0.100 1.216 1.00 0.06 C ATOM 112 CG1 ILE A 345 7.198 -1.384 1.212 1.00 0.07 C ATOM 113 CG2 ILE A 345 6.390 0.518 -0.134 1.00 0.06 C ATOM 114 CD1 ILE A 345 8.251 -1.742 0.252 1.00 0.05 C ATOM 0 H ILE A 345 8.902 -0.763 2.583 1.00 0.06 H new ATOM 0 HA ILE A 345 8.632 1.213 0.581 1.00 0.06 H new ATOM 0 HB ILE A 345 6.175 0.312 1.986 1.00 0.06 H new ATOM 0 HG12 ILE A 345 7.497 -1.699 2.212 1.00 0.07 H new ATOM 0 HG13 ILE A 345 6.284 -1.925 0.967 1.00 0.07 H new ATOM 0 HG21 ILE A 345 5.480 -0.039 -0.358 1.00 0.06 H new ATOM 0 HG22 ILE A 345 6.169 1.585 -0.124 1.00 0.06 H new ATOM 0 HG23 ILE A 345 7.140 0.310 -0.897 1.00 0.06 H new ATOM 0 HD11 ILE A 345 8.421 -2.818 0.282 1.00 0.05 H new ATOM 0 HD12 ILE A 345 7.942 -1.452 -0.752 1.00 0.05 H new ATOM 0 HD13 ILE A 345 9.173 -1.222 0.512 1.00 0.05 H new ATOM 126 N GLU A 346 7.292 3.035 1.798 1.00 0.09 N ATOM 127 CA GLU A 346 6.876 4.215 2.498 1.00 0.12 C ATOM 128 C GLU A 346 5.713 4.823 1.733 1.00 0.17 C ATOM 129 O GLU A 346 5.605 4.667 0.534 1.00 0.21 O ATOM 130 CB GLU A 346 8.074 5.147 2.540 1.00 0.15 C ATOM 131 CG GLU A 346 7.997 6.338 3.476 1.00 0.13 C ATOM 132 CD GLU A 346 6.642 6.758 3.884 1.00 1.24 C ATOM 133 OE1 GLU A 346 5.935 5.965 4.527 1.00 2.01 O1- ATOM 134 OE2 GLU A 346 6.298 7.916 3.580 1.00 1.53 O ATOM 0 H GLU A 346 7.160 3.080 0.788 1.00 0.09 H new ATOM 0 HA GLU A 346 6.545 4.013 3.517 1.00 0.12 H new ATOM 0 HB2 GLU A 346 8.950 4.559 2.814 1.00 0.15 H new ATOM 0 HB3 GLU A 346 8.245 5.522 1.531 1.00 0.15 H new ATOM 0 HG2 GLU A 346 8.569 6.106 4.374 1.00 0.13 H new ATOM 0 HG3 GLU A 346 8.488 7.184 2.995 1.00 0.13 H new ATOM 141 N VAL A 347 4.812 5.424 2.456 1.00 0.17 N ATOM 142 CA VAL A 347 3.722 6.158 1.907 1.00 0.17 C ATOM 143 C VAL A 347 3.481 7.417 2.705 1.00 0.20 C ATOM 144 O VAL A 347 3.767 7.477 3.874 1.00 0.45 O ATOM 145 CB VAL A 347 2.421 5.389 1.939 1.00 0.15 C ATOM 146 CG1 VAL A 347 1.493 6.055 0.971 1.00 0.14 C ATOM 147 CG2 VAL A 347 2.619 3.913 1.633 1.00 0.15 C ATOM 0 H VAL A 347 4.821 5.413 3.476 1.00 0.17 H new ATOM 0 HA VAL A 347 4.003 6.368 0.875 1.00 0.17 H new ATOM 0 HB VAL A 347 1.993 5.409 2.941 1.00 0.15 H new ATOM 0 HG11 VAL A 347 0.538 5.530 0.962 1.00 0.14 H new ATOM 0 HG12 VAL A 347 1.335 7.091 1.272 1.00 0.14 H new ATOM 0 HG13 VAL A 347 1.930 6.030 -0.027 1.00 0.14 H new ATOM 0 HG21 VAL A 347 1.657 3.402 1.668 1.00 0.15 H new ATOM 0 HG22 VAL A 347 3.053 3.802 0.639 1.00 0.15 H new ATOM 0 HG23 VAL A 347 3.289 3.475 2.372 1.00 0.15 H new ATOM 157 N ASP A 348 2.892 8.388 2.081 1.00 0.10 N ATOM 158 CA ASP A 348 2.538 9.609 2.734 1.00 0.09 C ATOM 159 C ASP A 348 1.159 9.978 2.238 1.00 0.08 C ATOM 160 O ASP A 348 0.976 10.389 1.109 1.00 0.10 O ATOM 161 CB ASP A 348 3.571 10.684 2.388 1.00 0.12 C ATOM 162 CG ASP A 348 3.405 11.940 3.214 1.00 0.16 C ATOM 163 OD1 ASP A 348 2.253 12.296 3.540 1.00 0.16 O1- ATOM 164 OD2 ASP A 348 4.425 12.598 3.519 1.00 0.24 O ATOM 0 H ASP A 348 2.641 8.355 1.093 1.00 0.10 H new ATOM 0 HA ASP A 348 2.527 9.510 3.819 1.00 0.09 H new ATOM 0 HB2 ASP A 348 4.573 10.283 2.542 1.00 0.12 H new ATOM 0 HB3 ASP A 348 3.487 10.936 1.331 1.00 0.12 H new ATOM 169 N LEU A 349 0.206 9.772 3.111 1.00 0.08 N ATOM 170 CA LEU A 349 -1.221 9.766 2.789 1.00 0.09 C ATOM 171 C LEU A 349 -1.726 11.159 2.699 1.00 0.12 C ATOM 172 O LEU A 349 -2.612 11.496 1.932 1.00 0.16 O ATOM 173 CB LEU A 349 -1.970 9.056 3.899 1.00 0.10 C ATOM 174 CG LEU A 349 -1.333 7.759 4.319 1.00 0.08 C ATOM 175 CD1 LEU A 349 -0.716 7.090 3.122 1.00 0.07 C ATOM 176 CD2 LEU A 349 -0.290 8.029 5.366 1.00 0.08 C ATOM 0 H LEU A 349 0.394 9.597 4.098 1.00 0.08 H new ATOM 0 HA LEU A 349 -1.372 9.259 1.836 1.00 0.09 H new ATOM 0 HB2 LEU A 349 -2.034 9.717 4.764 1.00 0.10 H new ATOM 0 HB3 LEU A 349 -2.991 8.861 3.571 1.00 0.10 H new ATOM 0 HG LEU A 349 -2.090 7.096 4.739 1.00 0.08 H new ATOM 0 HD11 LEU A 349 -0.255 6.151 3.428 1.00 0.07 H new ATOM 0 HD12 LEU A 349 -1.488 6.890 2.379 1.00 0.07 H new ATOM 0 HD13 LEU A 349 0.043 7.743 2.691 1.00 0.07 H new ATOM 0 HD21 LEU A 349 0.172 7.090 5.670 1.00 0.08 H new ATOM 0 HD22 LEU A 349 0.472 8.692 4.958 1.00 0.08 H new ATOM 0 HD23 LEU A 349 -0.756 8.501 6.231 1.00 0.08 H new ATOM 188 N GLU A 350 -1.136 11.922 3.582 1.00 0.13 N ATOM 189 CA GLU A 350 -1.351 13.340 3.717 1.00 0.15 C ATOM 190 C GLU A 350 -1.055 13.977 2.401 1.00 0.14 C ATOM 191 O GLU A 350 -1.748 14.866 1.915 1.00 0.17 O ATOM 192 CB GLU A 350 -0.359 13.836 4.731 1.00 0.18 C ATOM 193 CG GLU A 350 -0.184 12.884 5.851 1.00 0.19 C ATOM 194 CD GLU A 350 -0.253 13.514 7.226 1.00 0.28 C ATOM 195 OE1 GLU A 350 0.799 13.957 7.732 1.00 0.57 O ATOM 196 OE2 GLU A 350 -1.360 13.591 7.798 1.00 0.60 O1- ATOM 0 H GLU A 350 -0.463 11.556 4.256 1.00 0.13 H new ATOM 0 HA GLU A 350 -2.372 13.570 4.022 1.00 0.15 H new ATOM 0 HB2 GLU A 350 0.602 14.004 4.245 1.00 0.18 H new ATOM 0 HB3 GLU A 350 -0.691 14.798 5.122 1.00 0.18 H new ATOM 0 HG2 GLU A 350 -0.951 12.113 5.779 1.00 0.19 H new ATOM 0 HG3 GLU A 350 0.779 12.386 5.741 1.00 0.19 H new ATOM 203 N ASN A 351 0.056 13.506 1.886 1.00 0.12 N ATOM 204 CA ASN A 351 0.642 14.016 0.654 1.00 0.11 C ATOM 205 C ASN A 351 0.299 13.126 -0.522 1.00 0.09 C ATOM 206 O ASN A 351 0.780 13.321 -1.640 1.00 0.10 O ATOM 207 CB ASN A 351 2.153 14.105 0.823 1.00 0.13 C ATOM 208 CG ASN A 351 2.521 15.167 1.818 1.00 0.17 C ATOM 209 OD1 ASN A 351 2.841 16.300 1.456 1.00 0.20 O ATOM 210 ND2 ASN A 351 2.448 14.816 3.083 1.00 0.18 N ATOM 0 H ASN A 351 0.590 12.748 2.311 1.00 0.12 H new ATOM 0 HA ASN A 351 0.233 15.006 0.451 1.00 0.11 H new ATOM 0 HB2 ASN A 351 2.543 13.142 1.152 1.00 0.13 H new ATOM 0 HB3 ASN A 351 2.618 14.325 -0.138 1.00 0.13 H new ATOM 0 HD21 ASN A 351 2.661 15.495 3.814 1.00 0.18 H new ATOM 0 HD22 ASN A 351 2.178 13.865 3.334 1.00 0.18 H new ATOM 217 N GLN A 352 -0.543 12.141 -0.201 1.00 0.08 N ATOM 218 CA GLN A 352 -0.948 11.055 -1.091 1.00 0.08 C ATOM 219 C GLN A 352 0.157 10.614 -2.036 1.00 0.07 C ATOM 220 O GLN A 352 0.006 10.657 -3.255 1.00 0.08 O ATOM 221 CB GLN A 352 -2.207 11.375 -1.885 1.00 0.12 C ATOM 222 CG GLN A 352 -3.448 11.551 -1.035 1.00 0.21 C ATOM 223 CD GLN A 352 -3.625 12.964 -0.495 1.00 1.28 C ATOM 224 OE1 GLN A 352 -4.252 13.168 0.543 1.00 2.15 O ATOM 225 NE2 GLN A 352 -3.070 13.948 -1.182 1.00 1.89 N ATOM 0 H GLN A 352 -0.976 12.077 0.720 1.00 0.08 H new ATOM 0 HA GLN A 352 -1.170 10.224 -0.421 1.00 0.08 H new ATOM 0 HB2 GLN A 352 -2.040 12.287 -2.458 1.00 0.12 H new ATOM 0 HB3 GLN A 352 -2.383 10.575 -2.604 1.00 0.12 H new ATOM 0 HG2 GLN A 352 -4.324 11.286 -1.627 1.00 0.21 H new ATOM 0 HG3 GLN A 352 -3.406 10.854 -0.198 1.00 0.21 H new ATOM 0 HE21 GLN A 352 -2.556 13.745 -2.039 1.00 1.89 H new ATOM 0 HE22 GLN A 352 -3.155 14.910 -0.854 1.00 1.89 H new ATOM 234 N HIS A 353 1.239 10.135 -1.469 1.00 0.05 N ATOM 235 CA HIS A 353 2.369 9.691 -2.256 1.00 0.05 C ATOM 236 C HIS A 353 2.981 8.467 -1.623 1.00 0.06 C ATOM 237 O HIS A 353 3.111 8.391 -0.423 1.00 0.07 O ATOM 238 CB HIS A 353 3.399 10.811 -2.375 1.00 0.06 C ATOM 239 CG HIS A 353 4.454 10.530 -3.386 1.00 0.06 C ATOM 240 ND1 HIS A 353 4.409 10.949 -4.702 1.00 0.09 N ATOM 241 CD2 HIS A 353 5.565 9.808 -3.267 1.00 0.06 C ATOM 242 CE1 HIS A 353 5.467 10.471 -5.340 1.00 0.09 C ATOM 243 NE2 HIS A 353 6.185 9.782 -4.479 1.00 0.07 N ATOM 0 H HIS A 353 1.362 10.042 -0.461 1.00 0.05 H new ATOM 0 HA HIS A 353 2.030 9.432 -3.259 1.00 0.05 H new ATOM 0 HB2 HIS A 353 2.890 11.738 -2.638 1.00 0.06 H new ATOM 0 HB3 HIS A 353 3.868 10.970 -1.404 1.00 0.06 H new ATOM 0 HD1 HIS A 353 3.680 11.531 -5.115 1.00 0.09 H new ATOM 0 HD2 HIS A 353 5.914 9.326 -2.366 1.00 0.06 H new ATOM 0 HE1 HIS A 353 5.700 10.621 -6.384 1.00 0.09 H new ATOM 252 N MET A 354 3.318 7.497 -2.435 1.00 0.05 N ATOM 253 CA MET A 354 3.914 6.290 -1.954 1.00 0.06 C ATOM 254 C MET A 354 5.345 6.173 -2.457 1.00 0.05 C ATOM 255 O MET A 354 5.711 6.772 -3.463 1.00 0.06 O ATOM 256 CB MET A 354 3.110 5.084 -2.384 1.00 0.07 C ATOM 257 CG MET A 354 3.419 3.837 -1.589 1.00 0.07 C ATOM 258 SD MET A 354 3.727 2.399 -2.617 1.00 0.06 S ATOM 259 CE MET A 354 4.955 3.066 -3.730 1.00 0.05 C ATOM 0 H MET A 354 3.185 7.528 -3.446 1.00 0.05 H new ATOM 0 HA MET A 354 3.923 6.325 -0.865 1.00 0.06 H new ATOM 0 HB2 MET A 354 2.049 5.312 -2.288 1.00 0.07 H new ATOM 0 HB3 MET A 354 3.300 4.888 -3.439 1.00 0.07 H new ATOM 0 HG2 MET A 354 4.292 4.021 -0.962 1.00 0.07 H new ATOM 0 HG3 MET A 354 2.585 3.625 -0.920 1.00 0.07 H new ATOM 0 HE1 MET A 354 4.669 2.850 -4.759 1.00 0.05 H new ATOM 0 HE2 MET A 354 5.024 4.145 -3.592 1.00 0.05 H new ATOM 0 HE3 MET A 354 5.923 2.611 -3.519 1.00 0.05 H new ATOM 269 N TRP A 355 6.133 5.389 -1.766 1.00 0.05 N ATOM 270 CA TRP A 355 7.533 5.193 -2.086 1.00 0.07 C ATOM 271 C TRP A 355 7.951 3.774 -1.837 1.00 0.07 C ATOM 272 O TRP A 355 7.276 3.022 -1.157 1.00 0.11 O ATOM 273 CB TRP A 355 8.452 6.030 -1.198 1.00 0.08 C ATOM 274 CG TRP A 355 8.343 7.482 -1.363 1.00 0.07 C ATOM 275 CD1 TRP A 355 9.066 8.262 -2.171 1.00 0.06 C ATOM 276 CD2 TRP A 355 7.487 8.319 -0.638 1.00 0.07 C ATOM 277 NE1 TRP A 355 8.686 9.565 -2.032 1.00 0.05 N ATOM 278 CE2 TRP A 355 7.705 9.625 -1.065 1.00 0.06 C ATOM 279 CE3 TRP A 355 6.544 8.074 0.326 1.00 0.08 C ATOM 280 CZ2 TRP A 355 6.986 10.687 -0.526 1.00 0.07 C ATOM 281 CZ3 TRP A 355 5.856 9.088 0.850 1.00 0.09 C ATOM 282 CH2 TRP A 355 6.068 10.395 0.436 1.00 0.09 C ATOM 0 H TRP A 355 5.820 4.859 -0.953 1.00 0.05 H new ATOM 0 HA TRP A 355 7.626 5.478 -3.134 1.00 0.07 H new ATOM 0 HB2 TRP A 355 8.244 5.784 -0.157 1.00 0.08 H new ATOM 0 HB3 TRP A 355 9.483 5.737 -1.395 1.00 0.08 H new ATOM 0 HD1 TRP A 355 9.840 7.912 -2.838 1.00 0.06 H new ATOM 0 HE1 TRP A 355 9.062 10.357 -2.553 1.00 0.05 H new ATOM 0 HE3 TRP A 355 6.359 7.064 0.660 1.00 0.08 H new ATOM 0 HZ2 TRP A 355 7.149 11.702 -0.857 1.00 0.07 H new ATOM 0 HZ3 TRP A 355 5.118 8.888 1.613 1.00 0.09 H new ATOM 0 HH2 TRP A 355 5.496 11.194 0.884 1.00 0.09 H new ATOM 293 N TYR A 356 9.075 3.436 -2.393 1.00 0.04 N ATOM 294 CA TYR A 356 9.923 2.430 -1.828 1.00 0.04 C ATOM 295 C TYR A 356 11.187 3.109 -1.445 1.00 0.04 C ATOM 296 O TYR A 356 11.563 4.100 -2.033 1.00 0.05 O ATOM 297 CB TYR A 356 10.266 1.366 -2.795 1.00 0.03 C ATOM 298 CG TYR A 356 11.142 0.281 -2.197 1.00 0.03 C ATOM 299 CD1 TYR A 356 10.596 -0.719 -1.433 1.00 0.05 C ATOM 300 CD2 TYR A 356 12.496 0.229 -2.445 1.00 0.05 C ATOM 301 CE1 TYR A 356 11.359 -1.742 -0.952 1.00 0.11 C ATOM 302 CE2 TYR A 356 13.278 -0.789 -1.949 1.00 0.10 C ATOM 303 CZ TYR A 356 12.696 -1.780 -1.211 1.00 0.05 C ATOM 304 OH TYR A 356 13.448 -2.835 -0.762 1.00 0.26 O ATOM 0 H TYR A 356 9.431 3.851 -3.254 1.00 0.04 H new ATOM 0 HA TYR A 356 9.403 1.964 -0.991 1.00 0.04 H new ATOM 0 HB2 TYR A 356 9.348 0.917 -3.173 1.00 0.03 H new ATOM 0 HB3 TYR A 356 10.779 1.810 -3.648 1.00 0.03 H new ATOM 0 HD1 TYR A 356 9.540 -0.696 -1.208 1.00 0.05 H new ATOM 0 HD2 TYR A 356 12.954 1.004 -3.042 1.00 0.05 H new ATOM 0 HE1 TYR A 356 10.902 -2.524 -0.364 1.00 0.11 H new ATOM 0 HE2 TYR A 356 14.341 -0.804 -2.141 1.00 0.10 H new ATOM 0 HH TYR A 356 13.125 -3.115 0.120 1.00 0.26 H new ATOM 314 N TYR A 357 11.835 2.551 -0.507 1.00 0.05 N ATOM 315 CA TYR A 357 13.070 3.096 -0.012 1.00 0.06 C ATOM 316 C TYR A 357 14.138 2.046 -0.032 1.00 0.06 C ATOM 317 O TYR A 357 14.011 1.015 0.607 1.00 0.07 O ATOM 318 CB TYR A 357 12.934 3.652 1.397 1.00 0.07 C ATOM 319 CG TYR A 357 12.508 5.093 1.461 1.00 0.07 C ATOM 320 CD1 TYR A 357 11.195 5.472 1.225 1.00 0.08 C ATOM 321 CD2 TYR A 357 13.434 6.074 1.769 1.00 0.10 C ATOM 322 CE1 TYR A 357 10.814 6.801 1.295 1.00 0.10 C ATOM 323 CE2 TYR A 357 13.069 7.398 1.840 1.00 0.11 C ATOM 324 CZ TYR A 357 11.756 7.761 1.602 1.00 0.11 C ATOM 325 OH TYR A 357 11.384 9.086 1.672 1.00 0.14 O ATOM 0 H TYR A 357 11.538 1.693 -0.042 1.00 0.05 H new ATOM 0 HA TYR A 357 13.342 3.922 -0.669 1.00 0.06 H new ATOM 0 HB2 TYR A 357 12.210 3.048 1.944 1.00 0.07 H new ATOM 0 HB3 TYR A 357 13.890 3.546 1.910 1.00 0.07 H new ATOM 0 HD1 TYR A 357 10.459 4.719 0.983 1.00 0.08 H new ATOM 0 HD2 TYR A 357 14.460 5.795 1.957 1.00 0.10 H new ATOM 0 HE1 TYR A 357 9.788 7.084 1.111 1.00 0.10 H new ATOM 0 HE2 TYR A 357 13.805 8.151 2.081 1.00 0.11 H new ATOM 0 HH TYR A 357 12.164 9.633 1.900 1.00 0.14 H new ATOM 335 N LYS A 358 15.168 2.314 -0.779 1.00 0.07 N ATOM 336 CA LYS A 358 16.341 1.487 -0.798 1.00 0.09 C ATOM 337 C LYS A 358 17.532 2.343 -0.447 1.00 0.13 C ATOM 338 O LYS A 358 17.821 3.274 -1.181 1.00 0.25 O ATOM 339 CB LYS A 358 16.544 0.885 -2.163 1.00 0.11 C ATOM 340 CG LYS A 358 17.543 -0.229 -2.138 1.00 0.12 C ATOM 341 CD LYS A 358 16.962 -1.364 -1.396 1.00 0.09 C ATOM 342 CE LYS A 358 16.376 -2.335 -2.359 1.00 0.09 C ATOM 343 NZ LYS A 358 15.919 -3.584 -1.694 1.00 0.10 N1+ ATOM 0 H LYS A 358 15.219 3.122 -1.400 1.00 0.07 H new ATOM 0 HA LYS A 358 16.224 0.677 -0.078 1.00 0.09 H new ATOM 0 HB2 LYS A 358 15.592 0.511 -2.540 1.00 0.11 H new ATOM 0 HB3 LYS A 358 16.879 1.658 -2.855 1.00 0.11 H new ATOM 0 HG2 LYS A 358 17.798 -0.532 -3.154 1.00 0.12 H new ATOM 0 HG3 LYS A 358 18.466 0.101 -1.662 1.00 0.12 H new ATOM 0 HD2 LYS A 358 17.729 -1.850 -0.794 1.00 0.09 H new ATOM 0 HD3 LYS A 358 16.195 -1.009 -0.708 1.00 0.09 H new ATOM 0 HE2 LYS A 358 15.534 -1.871 -2.873 1.00 0.09 H new ATOM 0 HE3 LYS A 358 17.117 -2.581 -3.119 1.00 0.09 H new ATOM 0 HZ1 LYS A 358 15.823 -4.339 -2.402 1.00 0.10 H new ATOM 0 HZ2 LYS A 358 16.615 -3.869 -0.976 1.00 0.10 H new ATOM 0 HZ3 LYS A 358 14.999 -3.418 -1.238 1.00 0.10 H new ATOM 357 N ASP A 359 18.187 2.058 0.649 1.00 0.13 N ATOM 358 CA ASP A 359 19.321 2.877 1.123 1.00 0.16 C ATOM 359 C ASP A 359 18.869 4.187 1.729 1.00 0.16 C ATOM 360 O ASP A 359 19.508 5.225 1.527 1.00 0.28 O ATOM 361 CB ASP A 359 20.282 3.216 0.015 1.00 0.19 C ATOM 362 CG ASP A 359 21.705 2.794 0.316 1.00 0.28 C ATOM 363 OD1 ASP A 359 21.934 1.595 0.574 1.00 0.43 O ATOM 364 OD2 ASP A 359 22.605 3.660 0.292 1.00 0.39 O1- ATOM 0 H ASP A 359 17.968 1.262 1.248 1.00 0.13 H new ATOM 0 HA ASP A 359 19.812 2.261 1.876 1.00 0.16 H new ATOM 0 HB2 ASP A 359 19.952 2.733 -0.905 1.00 0.19 H new ATOM 0 HB3 ASP A 359 20.258 4.291 -0.163 1.00 0.19 H new ATOM 369 N GLY A 360 17.765 4.162 2.441 1.00 0.15 N ATOM 370 CA GLY A 360 17.272 5.378 3.070 1.00 0.15 C ATOM 371 C GLY A 360 16.903 6.445 2.088 1.00 0.14 C ATOM 372 O GLY A 360 16.662 7.601 2.438 1.00 0.18 O ATOM 0 H GLY A 360 17.196 3.331 2.601 1.00 0.15 H new ATOM 0 HA2 GLY A 360 16.400 5.136 3.678 1.00 0.15 H new ATOM 0 HA3 GLY A 360 18.035 5.764 3.746 1.00 0.15 H new ATOM 376 N LYS A 361 16.841 6.026 0.870 1.00 0.13 N ATOM 377 CA LYS A 361 16.486 6.854 -0.232 1.00 0.13 C ATOM 378 C LYS A 361 15.567 6.007 -1.060 1.00 0.09 C ATOM 379 O LYS A 361 15.436 4.829 -0.782 1.00 0.12 O ATOM 380 CB LYS A 361 17.751 7.186 -0.976 1.00 0.16 C ATOM 381 CG LYS A 361 18.324 5.981 -1.675 1.00 0.17 C ATOM 382 CD LYS A 361 19.385 6.353 -2.658 1.00 0.23 C ATOM 383 CE LYS A 361 18.804 7.245 -3.729 1.00 0.26 C ATOM 384 NZ LYS A 361 19.676 7.327 -4.929 1.00 0.37 N1+ ATOM 0 H LYS A 361 17.044 5.062 0.605 1.00 0.13 H new ATOM 0 HA LYS A 361 16.003 7.791 0.044 1.00 0.13 H new ATOM 0 HB2 LYS A 361 17.547 7.968 -1.708 1.00 0.16 H new ATOM 0 HB3 LYS A 361 18.488 7.586 -0.279 1.00 0.16 H new ATOM 0 HG2 LYS A 361 18.740 5.297 -0.935 1.00 0.17 H new ATOM 0 HG3 LYS A 361 17.525 5.447 -2.189 1.00 0.17 H new ATOM 0 HD2 LYS A 361 20.201 6.866 -2.149 1.00 0.23 H new ATOM 0 HD3 LYS A 361 19.806 5.455 -3.110 1.00 0.23 H new ATOM 0 HE2 LYS A 361 17.824 6.868 -4.020 1.00 0.26 H new ATOM 0 HE3 LYS A 361 18.653 8.245 -3.323 1.00 0.26 H new ATOM 0 HZ1 LYS A 361 19.236 7.950 -5.636 1.00 0.37 H new ATOM 0 HZ2 LYS A 361 20.604 7.711 -4.658 1.00 0.37 H new ATOM 0 HZ3 LYS A 361 19.800 6.377 -5.334 1.00 0.37 H new ATOM 398 N VAL A 362 14.909 6.552 -2.040 1.00 0.09 N ATOM 399 CA VAL A 362 13.879 5.769 -2.669 1.00 0.07 C ATOM 400 C VAL A 362 14.234 5.104 -3.946 1.00 0.07 C ATOM 401 O VAL A 362 15.136 5.491 -4.688 1.00 0.10 O ATOM 402 CB VAL A 362 12.585 6.509 -2.869 1.00 0.07 C ATOM 403 CG1 VAL A 362 12.127 7.045 -1.563 1.00 0.07 C ATOM 404 CG2 VAL A 362 12.696 7.586 -3.874 1.00 0.09 C ATOM 0 H VAL A 362 15.053 7.491 -2.411 1.00 0.09 H new ATOM 0 HA VAL A 362 13.752 4.983 -1.924 1.00 0.07 H new ATOM 0 HB VAL A 362 11.849 5.807 -3.260 1.00 0.07 H new ATOM 0 HG11 VAL A 362 11.189 7.583 -1.699 1.00 0.07 H new ATOM 0 HG12 VAL A 362 11.975 6.222 -0.865 1.00 0.07 H new ATOM 0 HG13 VAL A 362 12.880 7.724 -1.164 1.00 0.07 H new ATOM 0 HG21 VAL A 362 11.734 8.087 -3.978 1.00 0.09 H new ATOM 0 HG22 VAL A 362 13.447 8.307 -3.553 1.00 0.09 H new ATOM 0 HG23 VAL A 362 12.989 7.160 -4.833 1.00 0.09 H new ATOM 414 N ALA A 363 13.437 4.087 -4.168 1.00 0.05 N ATOM 415 CA ALA A 363 13.520 3.258 -5.307 1.00 0.05 C ATOM 416 C ALA A 363 12.317 3.548 -6.135 1.00 0.05 C ATOM 417 O ALA A 363 12.280 3.362 -7.349 1.00 0.07 O ATOM 418 CB ALA A 363 13.514 1.809 -4.873 1.00 0.05 C ATOM 0 H ALA A 363 12.691 3.819 -3.526 1.00 0.05 H new ATOM 0 HA ALA A 363 14.434 3.442 -5.872 1.00 0.05 H new ATOM 0 HB1 ALA A 363 13.578 1.166 -5.751 1.00 0.05 H new ATOM 0 HB2 ALA A 363 14.368 1.621 -4.222 1.00 0.05 H new ATOM 0 HB3 ALA A 363 12.592 1.595 -4.333 1.00 0.05 H new ATOM 424 N LEU A 364 11.325 3.998 -5.407 1.00 0.04 N ATOM 425 CA LEU A 364 10.033 4.280 -5.932 1.00 0.04 C ATOM 426 C LEU A 364 9.507 5.566 -5.427 1.00 0.05 C ATOM 427 O LEU A 364 9.734 5.962 -4.287 1.00 0.06 O ATOM 428 CB LEU A 364 9.106 3.177 -5.516 1.00 0.04 C ATOM 429 CG LEU A 364 8.428 2.489 -6.650 1.00 0.05 C ATOM 430 CD1 LEU A 364 9.455 2.132 -7.675 1.00 0.05 C ATOM 431 CD2 LEU A 364 7.759 1.263 -6.147 1.00 0.05 C ATOM 0 H LEU A 364 11.407 4.180 -4.407 1.00 0.04 H new ATOM 0 HA LEU A 364 10.105 4.350 -7.017 1.00 0.04 H new ATOM 0 HB2 LEU A 364 9.670 2.440 -4.944 1.00 0.04 H new ATOM 0 HB3 LEU A 364 8.348 3.587 -4.849 1.00 0.04 H new ATOM 0 HG LEU A 364 7.679 3.142 -7.098 1.00 0.05 H new ATOM 0 HD11 LEU A 364 8.973 1.627 -8.512 1.00 0.05 H new ATOM 0 HD12 LEU A 364 9.944 3.039 -8.031 1.00 0.05 H new ATOM 0 HD13 LEU A 364 10.198 1.470 -7.231 1.00 0.05 H new ATOM 0 HD21 LEU A 364 7.261 0.755 -6.973 1.00 0.05 H new ATOM 0 HD22 LEU A 364 8.502 0.598 -5.707 1.00 0.05 H new ATOM 0 HD23 LEU A 364 7.022 1.535 -5.391 1.00 0.05 H new ATOM 443 N GLU A 365 8.773 6.180 -6.293 1.00 0.05 N ATOM 444 CA GLU A 365 8.093 7.377 -5.993 1.00 0.06 C ATOM 445 C GLU A 365 6.814 7.278 -6.731 1.00 0.05 C ATOM 446 O GLU A 365 6.811 7.208 -7.956 1.00 0.07 O ATOM 447 CB GLU A 365 8.912 8.531 -6.512 1.00 0.10 C ATOM 448 CG GLU A 365 9.058 9.685 -5.540 1.00 0.16 C ATOM 449 CD GLU A 365 10.159 10.642 -5.925 1.00 0.27 C ATOM 450 OE1 GLU A 365 9.899 11.565 -6.720 1.00 0.45 O1- ATOM 451 OE2 GLU A 365 11.297 10.465 -5.446 1.00 0.48 O ATOM 0 H GLU A 365 8.631 5.850 -7.248 1.00 0.05 H new ATOM 0 HA GLU A 365 7.930 7.529 -4.926 1.00 0.06 H new ATOM 0 HB2 GLU A 365 9.905 8.166 -6.775 1.00 0.10 H new ATOM 0 HB3 GLU A 365 8.455 8.901 -7.430 1.00 0.10 H new ATOM 0 HG2 GLU A 365 8.115 10.228 -5.484 1.00 0.16 H new ATOM 0 HG3 GLU A 365 9.258 9.291 -4.544 1.00 0.16 H new ATOM 458 N THR A 366 5.730 7.275 -6.029 1.00 0.05 N ATOM 459 CA THR A 366 4.507 7.183 -6.704 1.00 0.06 C ATOM 460 C THR A 366 3.416 7.888 -5.963 1.00 0.06 C ATOM 461 O THR A 366 3.549 8.237 -4.813 1.00 0.07 O ATOM 462 CB THR A 366 4.151 5.710 -6.933 1.00 0.06 C ATOM 463 OG1 THR A 366 3.578 5.527 -8.211 1.00 0.07 O ATOM 464 CG2 THR A 366 3.175 5.233 -5.893 1.00 0.07 C ATOM 0 H THR A 366 5.678 7.334 -5.012 1.00 0.05 H new ATOM 0 HA THR A 366 4.610 7.677 -7.670 1.00 0.06 H new ATOM 0 HB THR A 366 5.073 5.133 -6.861 1.00 0.06 H new ATOM 0 HG1 THR A 366 4.061 6.071 -8.867 1.00 0.07 H new ATOM 0 HG21 THR A 366 2.935 4.185 -6.073 1.00 0.07 H new ATOM 0 HG22 THR A 366 3.618 5.339 -4.903 1.00 0.07 H new ATOM 0 HG23 THR A 366 2.264 5.829 -5.949 1.00 0.07 H new ATOM 472 N ASP A 367 2.356 8.101 -6.647 1.00 0.07 N ATOM 473 CA ASP A 367 1.234 8.781 -6.123 1.00 0.09 C ATOM 474 C ASP A 367 0.139 7.785 -5.787 1.00 0.09 C ATOM 475 O ASP A 367 -0.123 6.868 -6.551 1.00 0.11 O ATOM 476 CB ASP A 367 0.845 9.805 -7.176 1.00 0.13 C ATOM 477 CG ASP A 367 0.662 9.248 -8.591 1.00 0.98 C ATOM 478 OD1 ASP A 367 1.512 8.452 -9.053 1.00 1.65 O ATOM 479 OD2 ASP A 367 -0.285 9.671 -9.281 1.00 1.80 O1- ATOM 0 H ASP A 367 2.242 7.799 -7.614 1.00 0.07 H new ATOM 0 HA ASP A 367 1.438 9.297 -5.185 1.00 0.09 H new ATOM 0 HB2 ASP A 367 -0.085 10.284 -6.868 1.00 0.13 H new ATOM 0 HB3 ASP A 367 1.609 10.582 -7.204 1.00 0.13 H new ATOM 484 N ILE A 368 -0.427 7.918 -4.589 1.00 0.09 N ATOM 485 CA ILE A 368 -1.374 6.939 -4.076 1.00 0.08 C ATOM 486 C ILE A 368 -2.610 7.573 -3.535 1.00 0.07 C ATOM 487 O ILE A 368 -2.814 8.782 -3.601 1.00 0.08 O ATOM 488 CB ILE A 368 -0.784 6.110 -2.939 1.00 0.09 C ATOM 489 CG1 ILE A 368 -0.008 6.981 -1.992 1.00 0.08 C ATOM 490 CG2 ILE A 368 0.077 5.027 -3.494 1.00 0.12 C ATOM 491 CD1 ILE A 368 -0.844 7.608 -0.892 1.00 0.08 C ATOM 0 H ILE A 368 -0.244 8.697 -3.957 1.00 0.09 H new ATOM 0 HA ILE A 368 -1.610 6.309 -4.934 1.00 0.08 H new ATOM 0 HB ILE A 368 -1.599 5.653 -2.378 1.00 0.09 H new ATOM 0 HG12 ILE A 368 0.784 6.386 -1.536 1.00 0.08 H new ATOM 0 HG13 ILE A 368 0.476 7.774 -2.561 1.00 0.08 H new ATOM 0 HG21 ILE A 368 0.495 4.439 -2.677 1.00 0.12 H new ATOM 0 HG22 ILE A 368 -0.520 4.381 -4.137 1.00 0.12 H new ATOM 0 HG23 ILE A 368 0.887 5.468 -4.075 1.00 0.12 H new ATOM 0 HD11 ILE A 368 -0.206 8.220 -0.254 1.00 0.08 H new ATOM 0 HD12 ILE A 368 -1.620 8.232 -1.336 1.00 0.08 H new ATOM 0 HD13 ILE A 368 -1.308 6.823 -0.295 1.00 0.08 H new ATOM 503 N VAL A 369 -3.402 6.719 -2.953 1.00 0.07 N ATOM 504 CA VAL A 369 -4.565 7.114 -2.219 1.00 0.08 C ATOM 505 C VAL A 369 -4.825 6.082 -1.153 1.00 0.09 C ATOM 506 O VAL A 369 -4.932 4.883 -1.407 1.00 0.10 O ATOM 507 CB VAL A 369 -5.816 7.379 -3.118 1.00 0.08 C ATOM 508 CG1 VAL A 369 -5.543 7.077 -4.595 1.00 0.10 C ATOM 509 CG2 VAL A 369 -7.040 6.613 -2.627 1.00 0.09 C ATOM 0 H VAL A 369 -3.253 5.710 -2.977 1.00 0.07 H new ATOM 0 HA VAL A 369 -4.370 8.081 -1.755 1.00 0.08 H new ATOM 0 HB VAL A 369 -6.032 8.444 -3.036 1.00 0.08 H new ATOM 0 HG11 VAL A 369 -6.441 7.276 -5.179 1.00 0.10 H new ATOM 0 HG12 VAL A 369 -4.730 7.710 -4.952 1.00 0.10 H new ATOM 0 HG13 VAL A 369 -5.263 6.030 -4.706 1.00 0.10 H new ATOM 0 HG21 VAL A 369 -7.887 6.825 -3.279 1.00 0.09 H new ATOM 0 HG22 VAL A 369 -6.830 5.544 -2.641 1.00 0.09 H new ATOM 0 HG23 VAL A 369 -7.279 6.922 -1.610 1.00 0.09 H new ATOM 519 N SER A 370 -4.800 6.590 0.045 1.00 0.09 N ATOM 520 CA SER A 370 -4.961 5.819 1.253 1.00 0.08 C ATOM 521 C SER A 370 -6.423 5.448 1.493 1.00 0.08 C ATOM 522 O SER A 370 -7.248 5.600 0.590 1.00 0.10 O ATOM 523 CB SER A 370 -4.337 6.575 2.415 1.00 0.13 C ATOM 524 OG SER A 370 -4.825 7.900 2.485 1.00 1.26 O ATOM 0 H SER A 370 -4.663 7.586 0.218 1.00 0.09 H new ATOM 0 HA SER A 370 -4.437 4.869 1.152 1.00 0.08 H new ATOM 0 HB2 SER A 370 -4.554 6.055 3.348 1.00 0.13 H new ATOM 0 HB3 SER A 370 -3.253 6.590 2.302 1.00 0.13 H new ATOM 0 HG SER A 370 -4.989 8.139 3.421 1.00 1.26 H new ATOM 530 N GLY A 371 -6.758 4.933 2.660 1.00 0.09 N ATOM 531 CA GLY A 371 -8.122 4.506 2.864 1.00 0.12 C ATOM 532 C GLY A 371 -9.013 5.652 3.300 1.00 0.12 C ATOM 533 O GLY A 371 -8.532 6.731 3.651 1.00 0.14 O ATOM 0 H GLY A 371 -6.129 4.804 3.453 1.00 0.09 H new ATOM 0 HA2 GLY A 371 -8.510 4.076 1.941 1.00 0.12 H new ATOM 0 HA3 GLY A 371 -8.147 3.719 3.618 1.00 0.12 H new ATOM 537 N LYS A 372 -10.314 5.422 3.245 1.00 0.16 N ATOM 538 CA LYS A 372 -11.295 6.486 3.368 1.00 0.16 C ATOM 539 C LYS A 372 -11.412 6.986 4.810 1.00 0.18 C ATOM 540 O LYS A 372 -11.084 6.284 5.756 1.00 0.21 O ATOM 541 CB LYS A 372 -12.625 5.961 2.851 1.00 0.19 C ATOM 542 CG LYS A 372 -13.465 5.258 3.886 1.00 0.27 C ATOM 543 CD LYS A 372 -14.545 4.465 3.214 1.00 0.47 C ATOM 544 CE LYS A 372 -13.974 3.248 2.537 1.00 0.81 C ATOM 545 NZ LYS A 372 -15.007 2.484 1.791 1.00 0.79 N1+ ATOM 0 H LYS A 372 -10.719 4.495 3.114 1.00 0.16 H new ATOM 0 HA LYS A 372 -10.980 7.345 2.776 1.00 0.16 H new ATOM 0 HB2 LYS A 372 -13.196 6.795 2.443 1.00 0.19 H new ATOM 0 HB3 LYS A 372 -12.434 5.273 2.028 1.00 0.19 H new ATOM 0 HG2 LYS A 372 -12.839 4.599 4.488 1.00 0.27 H new ATOM 0 HG3 LYS A 372 -13.906 5.987 4.565 1.00 0.27 H new ATOM 0 HD2 LYS A 372 -15.290 4.161 3.949 1.00 0.47 H new ATOM 0 HD3 LYS A 372 -15.057 5.088 2.480 1.00 0.47 H new ATOM 0 HE2 LYS A 372 -13.184 3.553 1.851 1.00 0.81 H new ATOM 0 HE3 LYS A 372 -13.515 2.601 3.284 1.00 0.81 H new ATOM 0 HZ1 LYS A 372 -14.568 1.655 1.341 1.00 0.79 H new ATOM 0 HZ2 LYS A 372 -15.749 2.169 2.449 1.00 0.79 H new ATOM 0 HZ3 LYS A 372 -15.428 3.092 1.060 1.00 0.79 H new ATOM 559 N PRO A 373 -11.898 8.238 4.962 1.00 0.19 N ATOM 560 CA PRO A 373 -11.950 8.984 6.236 1.00 0.21 C ATOM 561 C PRO A 373 -12.651 8.242 7.333 1.00 0.24 C ATOM 562 O PRO A 373 -12.426 8.475 8.518 1.00 0.28 O ATOM 563 CB PRO A 373 -12.824 10.164 5.879 1.00 0.23 C ATOM 564 CG PRO A 373 -12.540 10.407 4.463 1.00 0.21 C ATOM 565 CD PRO A 373 -12.462 9.042 3.868 1.00 0.19 C ATOM 0 HA PRO A 373 -10.946 9.202 6.600 1.00 0.21 H new ATOM 0 HB2 PRO A 373 -13.879 9.942 6.041 1.00 0.23 H new ATOM 0 HB3 PRO A 373 -12.585 11.036 6.488 1.00 0.23 H new ATOM 0 HG2 PRO A 373 -13.325 11.001 3.995 1.00 0.21 H new ATOM 0 HG3 PRO A 373 -11.606 10.953 4.332 1.00 0.21 H new ATOM 0 HD2 PRO A 373 -13.443 8.678 3.563 1.00 0.19 H new ATOM 0 HD3 PRO A 373 -11.826 9.023 2.983 1.00 0.19 H new ATOM 573 N THR A 374 -13.567 7.420 6.897 1.00 0.25 N ATOM 574 CA THR A 374 -14.418 6.665 7.789 1.00 0.28 C ATOM 575 C THR A 374 -13.600 5.604 8.507 1.00 0.30 C ATOM 576 O THR A 374 -13.841 5.267 9.666 1.00 0.33 O ATOM 577 CB THR A 374 -15.559 5.986 7.010 1.00 0.29 C ATOM 578 OG1 THR A 374 -15.074 4.857 6.283 1.00 0.29 O ATOM 579 CG2 THR A 374 -16.174 6.961 6.035 1.00 0.29 C ATOM 0 H THR A 374 -13.748 7.251 5.908 1.00 0.25 H new ATOM 0 HA THR A 374 -14.849 7.354 8.516 1.00 0.28 H new ATOM 0 HB THR A 374 -16.307 5.657 7.731 1.00 0.29 H new ATOM 0 HG1 THR A 374 -15.416 4.034 6.691 1.00 0.29 H new ATOM 0 HG21 THR A 374 -16.980 6.470 5.489 1.00 0.29 H new ATOM 0 HG22 THR A 374 -16.573 7.817 6.579 1.00 0.29 H new ATOM 0 HG23 THR A 374 -15.414 7.301 5.332 1.00 0.29 H new ATOM 587 N THR A 375 -12.625 5.097 7.776 1.00 0.28 N ATOM 588 CA THR A 375 -11.726 4.063 8.245 1.00 0.31 C ATOM 589 C THR A 375 -10.329 4.346 7.726 1.00 0.29 C ATOM 590 O THR A 375 -9.785 3.692 6.834 1.00 0.29 O ATOM 591 CB THR A 375 -12.237 2.690 7.843 1.00 0.34 C ATOM 592 OG1 THR A 375 -11.235 1.679 8.026 1.00 0.39 O ATOM 593 CG2 THR A 375 -12.727 2.723 6.405 1.00 0.31 C ATOM 0 H THR A 375 -12.433 5.399 6.821 1.00 0.28 H new ATOM 0 HA THR A 375 -11.684 4.067 9.334 1.00 0.31 H new ATOM 0 HB THR A 375 -13.072 2.431 8.493 1.00 0.34 H new ATOM 0 HG1 THR A 375 -11.597 0.808 7.760 1.00 0.39 H new ATOM 0 HG21 THR A 375 -13.092 1.736 6.122 1.00 0.31 H new ATOM 0 HG22 THR A 375 -13.535 3.449 6.312 1.00 0.31 H new ATOM 0 HG23 THR A 375 -11.906 3.008 5.747 1.00 0.31 H new ATOM 601 N PRO A 376 -9.787 5.385 8.312 1.00 0.28 N ATOM 602 CA PRO A 376 -8.550 6.040 7.933 1.00 0.26 C ATOM 603 C PRO A 376 -7.337 5.156 7.914 1.00 0.26 C ATOM 604 O PRO A 376 -7.296 4.083 8.528 1.00 0.38 O ATOM 605 CB PRO A 376 -8.416 7.106 9.009 1.00 0.29 C ATOM 606 CG PRO A 376 -9.797 7.386 9.369 1.00 0.32 C ATOM 607 CD PRO A 376 -10.400 6.042 9.440 1.00 0.32 C ATOM 0 HA PRO A 376 -8.596 6.404 6.907 1.00 0.26 H new ATOM 0 HB2 PRO A 376 -7.842 6.747 9.863 1.00 0.29 H new ATOM 0 HB3 PRO A 376 -7.909 7.995 8.635 1.00 0.29 H new ATOM 0 HG2 PRO A 376 -9.867 7.911 10.322 1.00 0.32 H new ATOM 0 HG3 PRO A 376 -10.290 8.011 8.624 1.00 0.32 H new ATOM 0 HD2 PRO A 376 -10.171 5.540 10.380 1.00 0.32 H new ATOM 0 HD3 PRO A 376 -11.486 6.076 9.353 1.00 0.32 H new ATOM 615 N THR A 377 -6.346 5.623 7.200 1.00 0.17 N ATOM 616 CA THR A 377 -5.094 4.992 7.174 1.00 0.21 C ATOM 617 C THR A 377 -4.258 5.511 8.356 1.00 0.17 C ATOM 618 O THR A 377 -4.102 6.718 8.535 1.00 0.21 O ATOM 619 CB THR A 377 -4.440 5.284 5.819 1.00 0.33 C ATOM 620 OG1 THR A 377 -4.978 4.425 4.806 1.00 0.82 O ATOM 621 CG2 THR A 377 -2.959 5.126 5.891 1.00 0.22 C ATOM 0 H THR A 377 -6.407 6.461 6.622 1.00 0.17 H new ATOM 0 HA THR A 377 -5.180 3.911 7.281 1.00 0.21 H new ATOM 0 HB THR A 377 -4.661 6.319 5.558 1.00 0.33 H new ATOM 0 HG1 THR A 377 -5.464 3.686 5.228 1.00 0.82 H new ATOM 0 HG21 THR A 377 -2.522 5.339 4.915 1.00 0.22 H new ATOM 0 HG22 THR A 377 -2.555 5.819 6.629 1.00 0.22 H new ATOM 0 HG23 THR A 377 -2.716 4.104 6.181 1.00 0.22 H new ATOM 629 N PRO A 378 -3.725 4.592 9.187 1.00 0.14 N ATOM 630 CA PRO A 378 -3.119 4.919 10.489 1.00 0.15 C ATOM 631 C PRO A 378 -1.817 5.677 10.340 1.00 0.13 C ATOM 632 O PRO A 378 -1.579 6.666 11.033 1.00 0.16 O ATOM 633 CB PRO A 378 -2.832 3.529 11.081 1.00 0.17 C ATOM 634 CG PRO A 378 -3.692 2.608 10.304 1.00 0.19 C ATOM 635 CD PRO A 378 -3.614 3.155 8.930 1.00 0.17 C ATOM 0 HA PRO A 378 -3.764 5.554 11.096 1.00 0.15 H new ATOM 0 HB2 PRO A 378 -1.779 3.266 10.983 1.00 0.17 H new ATOM 0 HB3 PRO A 378 -3.072 3.493 12.144 1.00 0.17 H new ATOM 0 HG2 PRO A 378 -3.329 1.581 10.350 1.00 0.19 H new ATOM 0 HG3 PRO A 378 -4.716 2.601 10.678 1.00 0.19 H new ATOM 0 HD2 PRO A 378 -2.677 2.897 8.437 1.00 0.17 H new ATOM 0 HD3 PRO A 378 -4.420 2.787 8.295 1.00 0.17 H new ATOM 643 N ALA A 379 -1.000 5.193 9.423 1.00 0.11 N ATOM 644 CA ALA A 379 0.334 5.710 9.182 1.00 0.10 C ATOM 645 C ALA A 379 1.263 5.599 10.379 1.00 0.10 C ATOM 646 O ALA A 379 0.922 5.866 11.535 1.00 0.13 O ATOM 647 CB ALA A 379 0.312 7.115 8.627 1.00 0.11 C ATOM 0 H ALA A 379 -1.250 4.415 8.813 1.00 0.11 H new ATOM 0 HA ALA A 379 0.755 5.057 8.417 1.00 0.10 H new ATOM 0 HB1 ALA A 379 1.334 7.458 8.464 1.00 0.11 H new ATOM 0 HB2 ALA A 379 -0.230 7.124 7.681 1.00 0.11 H new ATOM 0 HB3 ALA A 379 -0.184 7.778 9.335 1.00 0.11 H new ATOM 653 N GLY A 380 2.458 5.211 10.029 1.00 0.10 N ATOM 654 CA GLY A 380 3.517 4.952 10.954 1.00 0.11 C ATOM 655 C GLY A 380 4.461 3.955 10.345 1.00 0.12 C ATOM 656 O GLY A 380 5.131 4.250 9.359 1.00 0.20 O ATOM 0 H GLY A 380 2.727 5.062 9.056 1.00 0.10 H new ATOM 0 HA2 GLY A 380 4.045 5.876 11.191 1.00 0.11 H new ATOM 0 HA3 GLY A 380 3.114 4.566 11.890 1.00 0.11 H new ATOM 660 N VAL A 381 4.489 2.768 10.907 1.00 0.12 N ATOM 661 CA VAL A 381 5.242 1.678 10.334 1.00 0.13 C ATOM 662 C VAL A 381 4.366 0.421 10.268 1.00 0.15 C ATOM 663 O VAL A 381 3.734 0.029 11.254 1.00 0.25 O ATOM 664 CB VAL A 381 6.520 1.424 11.159 1.00 0.17 C ATOM 665 CG1 VAL A 381 6.250 0.582 12.393 1.00 0.79 C ATOM 666 CG2 VAL A 381 7.611 0.801 10.302 1.00 0.82 C ATOM 0 H VAL A 381 3.994 2.533 11.767 1.00 0.12 H new ATOM 0 HA VAL A 381 5.544 1.940 9.320 1.00 0.13 H new ATOM 0 HB VAL A 381 6.871 2.396 11.506 1.00 0.17 H new ATOM 0 HG11 VAL A 381 7.180 0.431 12.941 1.00 0.79 H new ATOM 0 HG12 VAL A 381 5.531 1.094 13.033 1.00 0.79 H new ATOM 0 HG13 VAL A 381 5.844 -0.384 12.093 1.00 0.79 H new ATOM 0 HG21 VAL A 381 8.500 0.633 10.910 1.00 0.82 H new ATOM 0 HG22 VAL A 381 7.260 -0.150 9.902 1.00 0.82 H new ATOM 0 HG23 VAL A 381 7.856 1.473 9.479 1.00 0.82 H new ATOM 676 N PHE A 382 4.259 -0.157 9.091 1.00 0.09 N ATOM 677 CA PHE A 382 3.677 -1.473 8.943 1.00 0.09 C ATOM 678 C PHE A 382 4.773 -2.374 8.371 1.00 0.09 C ATOM 679 O PHE A 382 5.907 -1.925 8.225 1.00 0.10 O ATOM 680 CB PHE A 382 2.400 -1.460 8.081 1.00 0.10 C ATOM 681 CG PHE A 382 1.478 -0.295 8.355 1.00 0.11 C ATOM 682 CD1 PHE A 382 1.022 -0.040 9.647 1.00 0.18 C ATOM 683 CD2 PHE A 382 1.051 0.537 7.328 1.00 0.12 C ATOM 684 CE1 PHE A 382 0.166 1.010 9.895 1.00 0.22 C ATOM 685 CE2 PHE A 382 0.187 1.585 7.578 1.00 0.15 C ATOM 686 CZ PHE A 382 -0.185 1.877 8.859 1.00 0.18 C ATOM 0 H PHE A 382 4.570 0.267 8.217 1.00 0.09 H new ATOM 0 HA PHE A 382 3.341 -1.855 9.907 1.00 0.09 H new ATOM 0 HB2 PHE A 382 2.686 -1.443 7.029 1.00 0.10 H new ATOM 0 HB3 PHE A 382 1.853 -2.388 8.248 1.00 0.10 H new ATOM 0 HD1 PHE A 382 1.343 -0.672 10.462 1.00 0.18 H new ATOM 0 HD2 PHE A 382 1.399 0.362 6.321 1.00 0.12 H new ATOM 0 HE1 PHE A 382 -0.232 1.162 10.887 1.00 0.22 H new ATOM 0 HE2 PHE A 382 -0.195 2.175 6.758 1.00 0.15 H new ATOM 0 HZ PHE A 382 -0.748 2.774 9.069 1.00 0.18 H new ATOM 696 N TYR A 383 4.500 -3.622 8.060 1.00 0.11 N ATOM 697 CA TYR A 383 5.593 -4.506 7.668 1.00 0.11 C ATOM 698 C TYR A 383 5.227 -5.385 6.482 1.00 0.11 C ATOM 699 O TYR A 383 4.301 -6.177 6.563 1.00 0.13 O ATOM 700 CB TYR A 383 5.907 -5.383 8.873 1.00 0.13 C ATOM 701 CG TYR A 383 7.366 -5.722 9.032 1.00 0.21 C ATOM 702 CD1 TYR A 383 8.300 -4.724 9.267 1.00 0.25 C ATOM 703 CD2 TYR A 383 7.803 -7.035 8.976 1.00 0.37 C ATOM 704 CE1 TYR A 383 9.633 -5.024 9.447 1.00 0.39 C ATOM 705 CE2 TYR A 383 9.133 -7.351 9.147 1.00 0.49 C ATOM 706 CZ TYR A 383 10.049 -6.341 9.387 1.00 0.50 C ATOM 707 OH TYR A 383 11.377 -6.649 9.590 1.00 0.65 O ATOM 0 H TYR A 383 3.571 -4.043 8.067 1.00 0.11 H new ATOM 0 HA TYR A 383 6.450 -3.906 7.362 1.00 0.11 H new ATOM 0 HB2 TYR A 383 5.564 -4.877 9.775 1.00 0.13 H new ATOM 0 HB3 TYR A 383 5.338 -6.309 8.791 1.00 0.13 H new ATOM 0 HD1 TYR A 383 7.977 -3.694 9.310 1.00 0.25 H new ATOM 0 HD2 TYR A 383 7.089 -7.825 8.795 1.00 0.37 H new ATOM 0 HE1 TYR A 383 10.347 -4.236 9.634 1.00 0.39 H new ATOM 0 HE2 TYR A 383 9.459 -8.379 9.094 1.00 0.49 H new ATOM 0 HH TYR A 383 11.821 -6.769 8.725 1.00 0.65 H new ATOM 717 N VAL A 384 5.977 -5.267 5.384 1.00 0.09 N ATOM 718 CA VAL A 384 5.806 -6.194 4.276 1.00 0.09 C ATOM 719 C VAL A 384 6.646 -7.409 4.525 1.00 0.13 C ATOM 720 O VAL A 384 7.822 -7.504 4.160 1.00 0.16 O ATOM 721 CB VAL A 384 6.113 -5.619 2.878 1.00 0.07 C ATOM 722 CG1 VAL A 384 7.405 -4.851 2.881 1.00 0.07 C ATOM 723 CG2 VAL A 384 6.150 -6.735 1.823 1.00 0.08 C ATOM 0 H VAL A 384 6.692 -4.553 5.244 1.00 0.09 H new ATOM 0 HA VAL A 384 4.743 -6.435 4.250 1.00 0.09 H new ATOM 0 HB VAL A 384 5.310 -4.929 2.618 1.00 0.07 H new ATOM 0 HG11 VAL A 384 7.596 -4.457 1.883 1.00 0.07 H new ATOM 0 HG12 VAL A 384 7.336 -4.026 3.590 1.00 0.07 H new ATOM 0 HG13 VAL A 384 8.221 -5.512 3.173 1.00 0.07 H new ATOM 0 HG21 VAL A 384 6.368 -6.305 0.846 1.00 0.08 H new ATOM 0 HG22 VAL A 384 6.925 -7.456 2.083 1.00 0.08 H new ATOM 0 HG23 VAL A 384 5.183 -7.237 1.791 1.00 0.08 H new ATOM 733 N TRP A 385 6.013 -8.340 5.152 1.00 0.18 N ATOM 734 CA TRP A 385 6.633 -9.591 5.452 1.00 0.23 C ATOM 735 C TRP A 385 6.296 -10.561 4.336 1.00 0.12 C ATOM 736 O TRP A 385 6.537 -11.765 4.422 1.00 0.21 O ATOM 737 CB TRP A 385 6.245 -10.082 6.854 1.00 0.48 C ATOM 738 CG TRP A 385 4.764 -10.167 7.098 1.00 0.45 C ATOM 739 CD1 TRP A 385 3.903 -9.134 7.394 1.00 0.57 C ATOM 740 CD2 TRP A 385 3.964 -11.354 7.086 1.00 1.08 C ATOM 741 NE1 TRP A 385 2.636 -9.617 7.559 1.00 1.17 N ATOM 742 CE2 TRP A 385 2.644 -10.969 7.374 1.00 1.54 C ATOM 743 CE3 TRP A 385 4.235 -12.707 6.855 1.00 1.37 C ATOM 744 CZ2 TRP A 385 1.600 -11.877 7.440 1.00 2.27 C ATOM 745 CZ3 TRP A 385 3.193 -13.612 6.920 1.00 2.11 C ATOM 746 CH2 TRP A 385 1.888 -13.193 7.210 1.00 2.55 C ATOM 0 H TRP A 385 5.048 -8.258 5.473 1.00 0.18 H new ATOM 0 HA TRP A 385 7.718 -9.491 5.491 1.00 0.23 H new ATOM 0 HB2 TRP A 385 6.684 -11.067 7.014 1.00 0.48 H new ATOM 0 HB3 TRP A 385 6.684 -9.413 7.594 1.00 0.48 H new ATOM 0 HD1 TRP A 385 4.187 -8.096 7.483 1.00 0.57 H new ATOM 0 HE1 TRP A 385 1.814 -9.056 7.785 1.00 1.17 H new ATOM 0 HE3 TRP A 385 5.238 -13.037 6.630 1.00 1.37 H new ATOM 0 HZ2 TRP A 385 0.594 -11.556 7.665 1.00 2.27 H new ATOM 0 HZ3 TRP A 385 3.388 -14.660 6.744 1.00 2.11 H new ATOM 0 HH2 TRP A 385 1.094 -13.924 7.253 1.00 2.55 H new ATOM 757 N ASN A 386 5.748 -9.976 3.266 1.00 0.10 N ATOM 758 CA ASN A 386 5.497 -10.679 2.019 1.00 0.14 C ATOM 759 C ASN A 386 5.150 -9.682 0.913 1.00 0.11 C ATOM 760 O ASN A 386 4.275 -8.848 1.062 1.00 0.12 O ATOM 761 CB ASN A 386 4.344 -11.662 2.207 1.00 0.27 C ATOM 762 CG ASN A 386 4.107 -12.523 0.982 1.00 0.33 C ATOM 763 OD1 ASN A 386 4.686 -13.600 0.847 1.00 0.43 O ATOM 764 ND2 ASN A 386 3.256 -12.057 0.084 1.00 0.31 N ATOM 0 H ASN A 386 5.467 -8.996 3.248 1.00 0.10 H new ATOM 0 HA ASN A 386 6.396 -11.225 1.733 1.00 0.14 H new ATOM 0 HB2 ASN A 386 4.554 -12.304 3.063 1.00 0.27 H new ATOM 0 HB3 ASN A 386 3.434 -11.109 2.440 1.00 0.27 H new ATOM 0 HD21 ASN A 386 3.059 -12.596 -0.759 1.00 0.31 H new ATOM 0 HD22 ASN A 386 2.797 -11.159 0.234 1.00 0.31 H new ATOM 771 N LYS A 387 5.884 -9.776 -0.178 1.00 0.11 N ATOM 772 CA LYS A 387 5.583 -9.073 -1.433 1.00 0.09 C ATOM 773 C LYS A 387 4.940 -10.048 -2.409 1.00 0.08 C ATOM 774 O LYS A 387 5.315 -11.221 -2.457 1.00 0.13 O ATOM 775 CB LYS A 387 6.864 -8.479 -2.053 1.00 0.13 C ATOM 776 CG LYS A 387 8.166 -8.939 -1.412 1.00 0.38 C ATOM 777 CD LYS A 387 8.366 -10.419 -1.599 1.00 0.20 C ATOM 778 CE LYS A 387 8.903 -10.758 -2.966 1.00 0.40 C ATOM 779 NZ LYS A 387 9.189 -12.210 -3.113 1.00 1.12 N1+ ATOM 0 H LYS A 387 6.725 -10.351 -0.229 1.00 0.11 H new ATOM 0 HA LYS A 387 4.897 -8.252 -1.221 1.00 0.09 H new ATOM 0 HB2 LYS A 387 6.889 -8.735 -3.112 1.00 0.13 H new ATOM 0 HB3 LYS A 387 6.810 -7.392 -1.989 1.00 0.13 H new ATOM 0 HG2 LYS A 387 9.003 -8.397 -1.852 1.00 0.38 H new ATOM 0 HG3 LYS A 387 8.156 -8.701 -0.348 1.00 0.38 H new ATOM 0 HD2 LYS A 387 9.055 -10.789 -0.839 1.00 0.20 H new ATOM 0 HD3 LYS A 387 7.417 -10.933 -1.447 1.00 0.20 H new ATOM 0 HE2 LYS A 387 8.181 -10.453 -3.724 1.00 0.40 H new ATOM 0 HE3 LYS A 387 9.815 -10.190 -3.147 1.00 0.40 H new ATOM 0 HZ1 LYS A 387 9.556 -12.397 -4.068 1.00 1.12 H new ATOM 0 HZ2 LYS A 387 9.897 -12.498 -2.408 1.00 1.12 H new ATOM 0 HZ3 LYS A 387 8.314 -12.753 -2.966 1.00 1.12 H new ATOM 793 N GLU A 388 3.981 -9.558 -3.185 1.00 0.09 N ATOM 794 CA GLU A 388 3.113 -10.425 -3.972 1.00 0.10 C ATOM 795 C GLU A 388 3.056 -10.103 -5.448 1.00 0.10 C ATOM 796 O GLU A 388 3.340 -8.993 -5.884 1.00 0.10 O ATOM 797 CB GLU A 388 1.710 -10.319 -3.433 1.00 0.09 C ATOM 798 CG GLU A 388 1.412 -11.292 -2.372 1.00 0.15 C ATOM 799 CD GLU A 388 1.601 -12.730 -2.805 1.00 0.38 C ATOM 800 OE1 GLU A 388 0.894 -13.183 -3.732 1.00 0.69 O ATOM 801 OE2 GLU A 388 2.456 -13.416 -2.213 1.00 0.71 O1- ATOM 0 H GLU A 388 3.784 -8.562 -3.286 1.00 0.09 H new ATOM 0 HA GLU A 388 3.538 -11.425 -3.882 1.00 0.10 H new ATOM 0 HB2 GLU A 388 1.554 -9.312 -3.046 1.00 0.09 H new ATOM 0 HB3 GLU A 388 1.004 -10.459 -4.251 1.00 0.09 H new ATOM 0 HG2 GLU A 388 2.054 -11.091 -1.514 1.00 0.15 H new ATOM 0 HG3 GLU A 388 0.383 -11.153 -2.040 1.00 0.15 H new ATOM 808 N GLU A 389 2.631 -11.120 -6.177 1.00 0.10 N ATOM 809 CA GLU A 389 2.372 -11.062 -7.593 1.00 0.11 C ATOM 810 C GLU A 389 1.111 -11.837 -7.886 1.00 0.16 C ATOM 811 O GLU A 389 1.005 -13.007 -7.506 1.00 0.28 O ATOM 812 CB GLU A 389 3.497 -11.678 -8.388 1.00 0.14 C ATOM 813 CG GLU A 389 4.712 -10.810 -8.498 1.00 0.16 C ATOM 814 CD GLU A 389 5.806 -11.472 -9.308 1.00 0.27 C ATOM 815 OE1 GLU A 389 6.324 -12.519 -8.873 1.00 0.33 O1- ATOM 816 OE2 GLU A 389 6.174 -10.935 -10.373 1.00 0.38 O ATOM 0 H GLU A 389 2.452 -12.041 -5.777 1.00 0.10 H new ATOM 0 HA GLU A 389 2.274 -10.014 -7.878 1.00 0.11 H new ATOM 0 HB2 GLU A 389 3.779 -12.624 -7.925 1.00 0.14 H new ATOM 0 HB3 GLU A 389 3.136 -11.909 -9.390 1.00 0.14 H new ATOM 0 HG2 GLU A 389 4.440 -9.862 -8.962 1.00 0.16 H new ATOM 0 HG3 GLU A 389 5.087 -10.581 -7.500 1.00 0.16 H new ATOM 823 N ASP A 390 0.183 -11.199 -8.570 1.00 0.12 N ATOM 824 CA ASP A 390 -1.099 -11.812 -8.894 1.00 0.15 C ATOM 825 C ASP A 390 -1.776 -12.269 -7.599 1.00 0.16 C ATOM 826 O ASP A 390 -2.272 -13.386 -7.449 1.00 0.25 O ATOM 827 CB ASP A 390 -0.847 -12.945 -9.882 1.00 0.19 C ATOM 828 CG ASP A 390 -2.082 -13.763 -10.222 1.00 0.28 C ATOM 829 OD1 ASP A 390 -3.057 -13.193 -10.758 1.00 0.41 O ATOM 830 OD2 ASP A 390 -2.072 -14.988 -9.978 1.00 0.36 O1- ATOM 0 H ASP A 390 0.290 -10.246 -8.917 1.00 0.12 H new ATOM 0 HA ASP A 390 -1.782 -11.108 -9.370 1.00 0.15 H new ATOM 0 HB2 ASP A 390 -0.438 -12.526 -10.801 1.00 0.19 H new ATOM 0 HB3 ASP A 390 -0.088 -13.609 -9.470 1.00 0.19 H new ATOM 835 N ALA A 391 -1.726 -11.348 -6.648 1.00 0.12 N ATOM 836 CA ALA A 391 -2.333 -11.488 -5.344 1.00 0.11 C ATOM 837 C ALA A 391 -3.799 -11.159 -5.453 1.00 0.10 C ATOM 838 O ALA A 391 -4.235 -10.624 -6.453 1.00 0.11 O ATOM 839 CB ALA A 391 -1.687 -10.506 -4.403 1.00 0.10 C ATOM 0 H ALA A 391 -1.245 -10.457 -6.772 1.00 0.12 H new ATOM 0 HA ALA A 391 -2.202 -12.506 -4.976 1.00 0.11 H new ATOM 0 HB1 ALA A 391 -2.136 -10.601 -3.414 1.00 0.10 H new ATOM 0 HB2 ALA A 391 -0.619 -10.713 -4.338 1.00 0.10 H new ATOM 0 HB3 ALA A 391 -1.838 -9.493 -4.775 1.00 0.10 H new ATOM 845 N THR A 392 -4.568 -11.486 -4.457 1.00 0.11 N ATOM 846 CA THR A 392 -5.932 -11.018 -4.431 1.00 0.11 C ATOM 847 C THR A 392 -6.295 -10.444 -3.087 1.00 0.11 C ATOM 848 O THR A 392 -6.255 -11.112 -2.056 1.00 0.14 O ATOM 849 CB THR A 392 -6.945 -12.094 -4.843 1.00 0.15 C ATOM 850 OG1 THR A 392 -6.535 -12.706 -6.070 1.00 0.17 O ATOM 851 CG2 THR A 392 -8.323 -11.476 -5.025 1.00 0.15 C ATOM 0 H THR A 392 -4.287 -12.063 -3.664 1.00 0.11 H new ATOM 0 HA THR A 392 -5.987 -10.225 -5.177 1.00 0.11 H new ATOM 0 HB THR A 392 -6.990 -12.848 -4.057 1.00 0.15 H new ATOM 0 HG1 THR A 392 -7.185 -13.393 -6.326 1.00 0.17 H new ATOM 0 HG21 THR A 392 -9.033 -12.250 -5.317 1.00 0.15 H new ATOM 0 HG22 THR A 392 -8.645 -11.023 -4.087 1.00 0.15 H new ATOM 0 HG23 THR A 392 -8.279 -10.712 -5.801 1.00 0.15 H new ATOM 859 N LEU A 393 -6.642 -9.188 -3.130 1.00 0.10 N ATOM 860 CA LEU A 393 -7.020 -8.443 -1.948 1.00 0.12 C ATOM 861 C LEU A 393 -8.425 -8.743 -1.525 1.00 0.15 C ATOM 862 O LEU A 393 -9.384 -8.090 -1.916 1.00 0.16 O ATOM 863 CB LEU A 393 -6.869 -6.979 -2.244 1.00 0.11 C ATOM 864 CG LEU A 393 -5.480 -6.390 -2.099 1.00 0.25 C ATOM 865 CD1 LEU A 393 -4.449 -7.358 -2.600 1.00 0.57 C ATOM 866 CD2 LEU A 393 -5.400 -5.126 -2.905 1.00 0.51 C ATOM 0 H LEU A 393 -6.673 -8.642 -3.991 1.00 0.10 H new ATOM 0 HA LEU A 393 -6.370 -8.736 -1.123 1.00 0.12 H new ATOM 0 HB2 LEU A 393 -7.207 -6.803 -3.265 1.00 0.11 H new ATOM 0 HB3 LEU A 393 -7.541 -6.429 -1.586 1.00 0.11 H new ATOM 0 HG LEU A 393 -5.288 -6.181 -1.047 1.00 0.25 H new ATOM 0 HD11 LEU A 393 -3.456 -6.922 -2.490 1.00 0.57 H new ATOM 0 HD12 LEU A 393 -4.506 -8.281 -2.023 1.00 0.57 H new ATOM 0 HD13 LEU A 393 -4.635 -7.576 -3.652 1.00 0.57 H new ATOM 0 HD21 LEU A 393 -4.404 -4.694 -2.807 1.00 0.51 H new ATOM 0 HD22 LEU A 393 -5.597 -5.350 -3.953 1.00 0.51 H new ATOM 0 HD23 LEU A 393 -6.141 -4.415 -2.541 1.00 0.51 H new ATOM 878 N LYS A 394 -8.519 -9.749 -0.733 1.00 0.18 N ATOM 879 CA LYS A 394 -9.761 -10.175 -0.162 1.00 0.23 C ATOM 880 C LYS A 394 -9.918 -9.767 1.267 1.00 0.29 C ATOM 881 O LYS A 394 -9.056 -9.105 1.849 1.00 0.29 O ATOM 882 CB LYS A 394 -9.763 -11.637 -0.269 1.00 0.25 C ATOM 883 CG LYS A 394 -9.765 -12.023 -1.672 1.00 0.23 C ATOM 884 CD LYS A 394 -10.265 -13.365 -1.787 1.00 0.27 C ATOM 885 CE LYS A 394 -9.638 -13.921 -2.984 1.00 0.27 C ATOM 886 NZ LYS A 394 -9.961 -15.352 -3.217 1.00 0.33 N1+ ATOM 0 H LYS A 394 -7.720 -10.318 -0.452 1.00 0.18 H new ATOM 0 HA LYS A 394 -10.592 -9.709 -0.691 1.00 0.23 H new ATOM 0 HB2 LYS A 394 -8.887 -12.050 0.231 1.00 0.25 H new ATOM 0 HB3 LYS A 394 -10.639 -12.047 0.233 1.00 0.25 H new ATOM 0 HG2 LYS A 394 -10.386 -11.339 -2.250 1.00 0.23 H new ATOM 0 HG3 LYS A 394 -8.757 -11.961 -2.081 1.00 0.23 H new ATOM 0 HD2 LYS A 394 -10.013 -13.953 -0.904 1.00 0.27 H new ATOM 0 HD3 LYS A 394 -11.351 -13.372 -1.875 1.00 0.27 H new ATOM 0 HE2 LYS A 394 -9.953 -13.341 -3.851 1.00 0.27 H new ATOM 0 HE3 LYS A 394 -8.557 -13.810 -2.902 1.00 0.27 H new ATOM 0 HZ1 LYS A 394 -9.484 -15.679 -4.081 1.00 0.33 H new ATOM 0 HZ2 LYS A 394 -9.637 -15.917 -2.407 1.00 0.33 H new ATOM 0 HZ3 LYS A 394 -10.989 -15.462 -3.327 1.00 0.33 H new ATOM 1015 N GLU A 404 -13.103 -8.813 -2.911 1.00 0.25 N ATOM 1016 CA GLU A 404 -11.862 -9.229 -3.534 1.00 0.21 C ATOM 1017 C GLU A 404 -11.329 -8.144 -4.444 1.00 0.20 C ATOM 1018 O GLU A 404 -12.092 -7.377 -5.030 1.00 0.23 O ATOM 1019 CB GLU A 404 -12.045 -10.489 -4.365 1.00 0.22 C ATOM 1020 CG GLU A 404 -12.295 -11.735 -3.547 1.00 0.24 C ATOM 1021 CD GLU A 404 -13.651 -12.349 -3.816 1.00 0.31 C ATOM 1022 OE1 GLU A 404 -13.788 -13.082 -4.811 1.00 0.39 O1- ATOM 1023 OE2 GLU A 404 -14.587 -12.109 -3.021 1.00 0.53 O ATOM 0 HA GLU A 404 -11.159 -9.427 -2.725 1.00 0.21 H new ATOM 0 HB2 GLU A 404 -12.881 -10.342 -5.049 1.00 0.22 H new ATOM 0 HB3 GLU A 404 -11.156 -10.641 -4.976 1.00 0.22 H new ATOM 0 HG2 GLU A 404 -11.519 -12.469 -3.765 1.00 0.24 H new ATOM 0 HG3 GLU A 404 -12.215 -11.491 -2.488 1.00 0.24 H new ATOM 1030 N SER A 405 -10.018 -8.062 -4.526 1.00 0.16 N ATOM 1031 CA SER A 405 -9.376 -7.225 -5.502 1.00 0.15 C ATOM 1032 C SER A 405 -8.115 -7.900 -5.953 1.00 0.13 C ATOM 1033 O SER A 405 -7.080 -7.806 -5.297 1.00 0.11 O ATOM 1034 CB SER A 405 -9.004 -5.879 -4.911 1.00 0.15 C ATOM 1035 OG SER A 405 -9.849 -5.536 -3.822 1.00 0.19 O ATOM 0 H SER A 405 -9.376 -8.572 -3.920 1.00 0.16 H new ATOM 0 HA SER A 405 -10.066 -7.069 -6.331 1.00 0.15 H new ATOM 0 HB2 SER A 405 -7.967 -5.902 -4.575 1.00 0.15 H new ATOM 0 HB3 SER A 405 -9.072 -5.111 -5.681 1.00 0.15 H new ATOM 0 HG SER A 405 -9.582 -4.664 -3.463 1.00 0.19 H new ATOM 1041 N PRO A 406 -8.177 -8.590 -7.074 1.00 0.15 N ATOM 1042 CA PRO A 406 -7.042 -9.295 -7.600 1.00 0.14 C ATOM 1043 C PRO A 406 -5.999 -8.322 -8.065 1.00 0.13 C ATOM 1044 O PRO A 406 -6.169 -7.604 -9.051 1.00 0.17 O ATOM 1045 CB PRO A 406 -7.618 -10.142 -8.731 1.00 0.18 C ATOM 1046 CG PRO A 406 -9.079 -10.117 -8.482 1.00 0.19 C ATOM 1047 CD PRO A 406 -9.348 -8.769 -7.910 1.00 0.18 C ATOM 0 HA PRO A 406 -6.535 -9.921 -6.866 1.00 0.14 H new ATOM 0 HB2 PRO A 406 -7.371 -9.726 -9.708 1.00 0.18 H new ATOM 0 HB3 PRO A 406 -7.226 -11.159 -8.709 1.00 0.18 H new ATOM 0 HG2 PRO A 406 -9.639 -10.274 -9.404 1.00 0.19 H new ATOM 0 HG3 PRO A 406 -9.375 -10.906 -7.791 1.00 0.19 H new ATOM 0 HD2 PRO A 406 -9.427 -8.002 -8.680 1.00 0.18 H new ATOM 0 HD3 PRO A 406 -10.274 -8.741 -7.336 1.00 0.18 H new ATOM 1055 N VAL A 407 -4.928 -8.324 -7.329 1.00 0.10 N ATOM 1056 CA VAL A 407 -3.921 -7.333 -7.418 1.00 0.09 C ATOM 1057 C VAL A 407 -2.681 -7.977 -8.011 1.00 0.11 C ATOM 1058 O VAL A 407 -2.482 -9.177 -7.902 1.00 0.15 O ATOM 1059 CB VAL A 407 -3.707 -6.800 -5.988 1.00 0.08 C ATOM 1060 CG1 VAL A 407 -2.459 -7.275 -5.335 1.00 0.07 C ATOM 1061 CG2 VAL A 407 -3.877 -5.314 -5.877 1.00 0.08 C ATOM 0 H VAL A 407 -4.734 -9.042 -6.631 1.00 0.10 H new ATOM 0 HA VAL A 407 -4.184 -6.495 -8.064 1.00 0.09 H new ATOM 0 HB VAL A 407 -4.518 -7.249 -5.415 1.00 0.08 H new ATOM 0 HG11 VAL A 407 -2.389 -6.852 -4.333 1.00 0.07 H new ATOM 0 HG12 VAL A 407 -2.474 -8.363 -5.269 1.00 0.07 H new ATOM 0 HG13 VAL A 407 -1.598 -6.959 -5.923 1.00 0.07 H new ATOM 0 HG21 VAL A 407 -3.713 -5.005 -4.845 1.00 0.08 H new ATOM 0 HG22 VAL A 407 -3.155 -4.816 -6.524 1.00 0.08 H new ATOM 0 HG23 VAL A 407 -4.887 -5.040 -6.181 1.00 0.08 H new ATOM 1071 N ASN A 408 -1.874 -7.199 -8.672 1.00 0.11 N ATOM 1072 CA ASN A 408 -0.732 -7.736 -9.380 1.00 0.12 C ATOM 1073 C ASN A 408 0.421 -7.848 -8.430 1.00 0.10 C ATOM 1074 O ASN A 408 1.351 -8.618 -8.654 1.00 0.11 O ATOM 1075 CB ASN A 408 -0.389 -6.819 -10.536 1.00 0.15 C ATOM 1076 CG ASN A 408 -1.488 -6.803 -11.565 1.00 0.19 C ATOM 1077 OD1 ASN A 408 -1.433 -7.511 -12.569 1.00 0.51 O ATOM 1078 ND2 ASN A 408 -2.512 -6.020 -11.299 1.00 0.38 N ATOM 0 H ASN A 408 -1.980 -6.187 -8.740 1.00 0.11 H new ATOM 0 HA ASN A 408 -0.959 -8.726 -9.776 1.00 0.12 H new ATOM 0 HB2 ASN A 408 -0.221 -5.808 -10.164 1.00 0.15 H new ATOM 0 HB3 ASN A 408 0.542 -7.147 -10.999 1.00 0.15 H new ATOM 0 HD21 ASN A 408 -3.305 -5.983 -11.939 1.00 0.38 H new ATOM 0 HD22 ASN A 408 -2.512 -5.451 -10.453 1.00 0.38 H new ATOM 1085 N TYR A 409 0.330 -7.091 -7.353 1.00 0.08 N ATOM 1086 CA TYR A 409 1.429 -6.911 -6.424 1.00 0.06 C ATOM 1087 C TYR A 409 0.865 -6.453 -5.096 1.00 0.06 C ATOM 1088 O TYR A 409 0.156 -5.449 -5.023 1.00 0.06 O ATOM 1089 CB TYR A 409 2.470 -5.903 -6.945 1.00 0.06 C ATOM 1090 CG TYR A 409 3.101 -6.314 -8.258 1.00 0.08 C ATOM 1091 CD1 TYR A 409 4.226 -7.128 -8.299 1.00 0.11 C ATOM 1092 CD2 TYR A 409 2.537 -5.919 -9.462 1.00 0.13 C ATOM 1093 CE1 TYR A 409 4.767 -7.536 -9.505 1.00 0.17 C ATOM 1094 CE2 TYR A 409 3.069 -6.320 -10.667 1.00 0.18 C ATOM 1095 CZ TYR A 409 4.182 -7.130 -10.686 1.00 0.17 C ATOM 1096 OH TYR A 409 4.715 -7.531 -11.890 1.00 0.27 O ATOM 0 H TYR A 409 -0.515 -6.580 -7.097 1.00 0.08 H new ATOM 0 HA TYR A 409 1.948 -7.862 -6.308 1.00 0.06 H new ATOM 0 HB2 TYR A 409 1.993 -4.931 -7.068 1.00 0.06 H new ATOM 0 HB3 TYR A 409 3.253 -5.781 -6.197 1.00 0.06 H new ATOM 0 HD1 TYR A 409 4.685 -7.447 -7.375 1.00 0.11 H new ATOM 0 HD2 TYR A 409 1.663 -5.284 -9.454 1.00 0.13 H new ATOM 0 HE1 TYR A 409 5.642 -8.169 -9.522 1.00 0.17 H new ATOM 0 HE2 TYR A 409 2.615 -6.000 -11.593 1.00 0.18 H new ATOM 0 HH TYR A 409 4.183 -7.158 -12.624 1.00 0.27 H new ATOM 1106 N TRP A 410 1.205 -7.174 -4.055 1.00 0.06 N ATOM 1107 CA TRP A 410 0.543 -7.039 -2.776 1.00 0.06 C ATOM 1108 C TRP A 410 1.531 -7.201 -1.652 1.00 0.06 C ATOM 1109 O TRP A 410 2.427 -8.029 -1.706 1.00 0.09 O ATOM 1110 CB TRP A 410 -0.532 -8.109 -2.709 1.00 0.07 C ATOM 1111 CG TRP A 410 -1.184 -8.300 -1.398 1.00 0.07 C ATOM 1112 CD1 TRP A 410 -1.349 -9.475 -0.787 1.00 0.08 C ATOM 1113 CD2 TRP A 410 -1.771 -7.314 -0.568 1.00 0.06 C ATOM 1114 NE1 TRP A 410 -2.030 -9.300 0.397 1.00 0.08 N ATOM 1115 CE2 TRP A 410 -2.300 -7.956 0.555 1.00 0.07 C ATOM 1116 CE3 TRP A 410 -1.891 -5.954 -0.682 1.00 0.06 C ATOM 1117 CZ2 TRP A 410 -2.958 -7.248 1.572 1.00 0.07 C ATOM 1118 CZ3 TRP A 410 -2.529 -5.243 0.297 1.00 0.07 C ATOM 1119 CH2 TRP A 410 -3.065 -5.882 1.422 1.00 0.07 C ATOM 0 H TRP A 410 1.949 -7.872 -4.069 1.00 0.06 H new ATOM 0 HA TRP A 410 0.099 -6.049 -2.674 1.00 0.06 H new ATOM 0 HB2 TRP A 410 -1.302 -7.867 -3.442 1.00 0.07 H new ATOM 0 HB3 TRP A 410 -0.090 -9.058 -3.013 1.00 0.07 H new ATOM 0 HD1 TRP A 410 -1.000 -10.424 -1.166 1.00 0.08 H new ATOM 0 HE1 TRP A 410 -2.291 -10.040 1.048 1.00 0.08 H new ATOM 0 HE3 TRP A 410 -1.483 -5.445 -1.543 1.00 0.06 H new ATOM 0 HZ2 TRP A 410 -3.364 -7.752 2.436 1.00 0.07 H new ATOM 0 HZ3 TRP A 410 -2.621 -4.171 0.201 1.00 0.07 H new ATOM 0 HH2 TRP A 410 -3.567 -5.299 2.180 1.00 0.07 H new ATOM 1130 N MET A 411 1.398 -6.369 -0.658 1.00 0.08 N ATOM 1131 CA MET A 411 2.220 -6.485 0.512 1.00 0.09 C ATOM 1132 C MET A 411 1.330 -6.746 1.716 1.00 0.12 C ATOM 1133 O MET A 411 0.803 -5.807 2.317 1.00 0.14 O ATOM 1134 CB MET A 411 3.036 -5.213 0.718 1.00 0.10 C ATOM 1135 CG MET A 411 3.769 -4.715 -0.519 1.00 0.09 C ATOM 1136 SD MET A 411 4.956 -5.904 -1.157 1.00 0.06 S ATOM 1137 CE MET A 411 5.864 -4.897 -2.323 1.00 0.06 C ATOM 0 H MET A 411 0.726 -5.602 -0.635 1.00 0.08 H new ATOM 0 HA MET A 411 2.916 -7.314 0.387 1.00 0.09 H new ATOM 0 HB2 MET A 411 2.371 -4.425 1.070 1.00 0.10 H new ATOM 0 HB3 MET A 411 3.766 -5.391 1.508 1.00 0.10 H new ATOM 0 HG2 MET A 411 3.042 -4.483 -1.297 1.00 0.09 H new ATOM 0 HG3 MET A 411 4.286 -3.786 -0.279 1.00 0.09 H new ATOM 0 HE1 MET A 411 6.917 -5.179 -2.305 1.00 0.06 H new ATOM 0 HE2 MET A 411 5.464 -5.051 -3.325 1.00 0.06 H new ATOM 0 HE3 MET A 411 5.765 -3.846 -2.050 1.00 0.06 H new ATOM 1147 N PRO A 412 1.091 -8.036 2.023 1.00 0.13 N ATOM 1148 CA PRO A 412 0.408 -8.459 3.246 1.00 0.19 C ATOM 1149 C PRO A 412 1.179 -7.969 4.450 1.00 0.25 C ATOM 1150 O PRO A 412 2.085 -8.641 4.933 1.00 0.50 O ATOM 1151 CB PRO A 412 0.465 -9.990 3.186 1.00 0.24 C ATOM 1152 CG PRO A 412 0.708 -10.325 1.761 1.00 0.23 C ATOM 1153 CD PRO A 412 1.486 -9.178 1.189 1.00 0.16 C ATOM 0 HA PRO A 412 -0.608 -8.073 3.324 1.00 0.19 H new ATOM 0 HB2 PRO A 412 1.262 -10.378 3.821 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -0.467 -10.431 3.539 1.00 0.24 H new ATOM 0 HG2 PRO A 412 1.265 -11.257 1.670 1.00 0.23 H new ATOM 0 HG3 PRO A 412 -0.233 -10.462 1.227 1.00 0.23 H new ATOM 0 HD2 PRO A 412 2.560 -9.358 1.240 1.00 0.16 H new ATOM 0 HD3 PRO A 412 1.240 -9.011 0.140 1.00 0.16 H new ATOM 1237 N VAL A 418 -3.912 -2.225 7.380 1.00 0.32 N ATOM 1238 CA VAL A 418 -3.448 -1.674 6.108 1.00 0.26 C ATOM 1239 C VAL A 418 -2.777 -2.741 5.238 1.00 0.24 C ATOM 1240 O VAL A 418 -2.531 -3.860 5.682 1.00 0.27 O ATOM 1241 CB VAL A 418 -2.438 -0.537 6.377 1.00 0.25 C ATOM 1242 CG1 VAL A 418 -2.012 0.194 5.100 1.00 0.75 C ATOM 1243 CG2 VAL A 418 -3.019 0.441 7.368 1.00 0.75 C ATOM 0 HA VAL A 418 -4.319 -1.295 5.573 1.00 0.26 H new ATOM 0 HB VAL A 418 -1.540 -0.996 6.791 1.00 0.25 H new ATOM 0 HG11 VAL A 418 -1.302 0.982 5.351 1.00 0.75 H new ATOM 0 HG12 VAL A 418 -1.542 -0.513 4.416 1.00 0.75 H new ATOM 0 HG13 VAL A 418 -2.888 0.634 4.623 1.00 0.75 H new ATOM 0 HG21 VAL A 418 -2.302 1.240 7.553 1.00 0.75 H new ATOM 0 HG22 VAL A 418 -3.939 0.865 6.964 1.00 0.75 H new ATOM 0 HG23 VAL A 418 -3.237 -0.075 8.303 1.00 0.75 H new ATOM 1253 N GLY A 419 -2.493 -2.376 4.000 1.00 0.20 N ATOM 1254 CA GLY A 419 -1.680 -3.184 3.133 1.00 0.18 C ATOM 1255 C GLY A 419 -1.448 -2.473 1.839 1.00 0.14 C ATOM 1256 O GLY A 419 -2.386 -2.094 1.151 1.00 0.15 O ATOM 0 H GLY A 419 -2.824 -1.510 3.575 1.00 0.20 H new ATOM 0 HA2 GLY A 419 -0.726 -3.401 3.614 1.00 0.18 H new ATOM 0 HA3 GLY A 419 -2.170 -4.140 2.949 1.00 0.18 H new ATOM 1260 N ILE A 420 -0.200 -2.274 1.517 1.00 0.10 N ATOM 1261 CA ILE A 420 0.152 -1.567 0.316 1.00 0.08 C ATOM 1262 C ILE A 420 0.088 -2.506 -0.880 1.00 0.08 C ATOM 1263 O ILE A 420 0.423 -3.688 -0.769 1.00 0.09 O ATOM 1264 CB ILE A 420 1.576 -0.993 0.417 1.00 0.07 C ATOM 1265 CG1 ILE A 420 1.628 0.265 1.289 1.00 0.08 C ATOM 1266 CG2 ILE A 420 2.121 -0.706 -0.961 1.00 0.08 C ATOM 1267 CD1 ILE A 420 1.744 -0.010 2.770 1.00 0.29 C ATOM 0 H ILE A 420 0.594 -2.593 2.072 1.00 0.10 H new ATOM 0 HA ILE A 420 -0.557 -0.749 0.188 1.00 0.08 H new ATOM 0 HB ILE A 420 2.201 -1.745 0.899 1.00 0.07 H new ATOM 0 HG12 ILE A 420 2.476 0.875 0.977 1.00 0.08 H new ATOM 0 HG13 ILE A 420 0.729 0.854 1.110 1.00 0.08 H new ATOM 0 HG21 ILE A 420 3.129 -0.300 -0.876 1.00 0.08 H new ATOM 0 HG22 ILE A 420 2.149 -1.629 -1.541 1.00 0.08 H new ATOM 0 HG23 ILE A 420 1.479 0.018 -1.462 1.00 0.08 H new ATOM 0 HD11 ILE A 420 1.775 0.934 3.314 1.00 0.29 H new ATOM 0 HD12 ILE A 420 0.883 -0.592 3.101 1.00 0.29 H new ATOM 0 HD13 ILE A 420 2.658 -0.571 2.965 1.00 0.29 H new ATOM 1279 N HIS A 421 -0.352 -1.981 -2.017 1.00 0.07 N ATOM 1280 CA HIS A 421 -0.556 -2.812 -3.194 1.00 0.06 C ATOM 1281 C HIS A 421 -0.588 -1.985 -4.462 1.00 0.07 C ATOM 1282 O HIS A 421 -0.806 -0.780 -4.418 1.00 0.08 O ATOM 1283 CB HIS A 421 -1.874 -3.540 -3.052 1.00 0.06 C ATOM 1284 CG HIS A 421 -3.072 -2.666 -3.013 1.00 0.07 C ATOM 1285 ND1 HIS A 421 -3.641 -2.065 -4.109 1.00 0.08 N ATOM 1286 CD2 HIS A 421 -3.818 -2.312 -1.952 1.00 0.07 C ATOM 1287 CE1 HIS A 421 -4.697 -1.370 -3.685 1.00 0.09 C ATOM 1288 NE2 HIS A 421 -4.852 -1.488 -2.378 1.00 0.08 N ATOM 0 H HIS A 421 -0.572 -0.994 -2.148 1.00 0.07 H new ATOM 0 HA HIS A 421 0.275 -3.514 -3.266 1.00 0.06 H new ATOM 0 HB2 HIS A 421 -1.978 -4.237 -3.883 1.00 0.06 H new ATOM 0 HB3 HIS A 421 -1.847 -4.135 -2.139 1.00 0.06 H new ATOM 0 HD1 HIS A 421 -3.315 -2.137 -5.073 1.00 0.08 H new ATOM 0 HD2 HIS A 421 -3.642 -2.619 -0.932 1.00 0.07 H new ATOM 0 HE1 HIS A 421 -5.341 -0.787 -4.326 1.00 0.09 H new ATOM 1296 N ASP A 422 -0.394 -2.650 -5.591 1.00 0.07 N ATOM 1297 CA ASP A 422 -0.546 -2.015 -6.882 1.00 0.07 C ATOM 1298 C ASP A 422 -2.024 -2.069 -7.276 1.00 0.11 C ATOM 1299 O ASP A 422 -2.728 -2.991 -6.910 1.00 0.20 O ATOM 1300 CB ASP A 422 0.330 -2.722 -7.920 1.00 0.09 C ATOM 1301 CG ASP A 422 -0.410 -3.788 -8.714 1.00 0.65 C ATOM 1302 OD1 ASP A 422 -0.889 -4.765 -8.107 1.00 1.07 O1- ATOM 1303 OD2 ASP A 422 -0.517 -3.647 -9.952 1.00 0.80 O ATOM 0 H ASP A 422 -0.130 -3.634 -5.634 1.00 0.07 H new ATOM 0 HA ASP A 422 -0.225 -0.974 -6.834 1.00 0.07 H new ATOM 0 HB2 ASP A 422 0.732 -1.980 -8.610 1.00 0.09 H new ATOM 0 HB3 ASP A 422 1.180 -3.181 -7.415 1.00 0.09 H new ATOM 1308 N SER A 423 -2.502 -1.065 -7.975 1.00 0.09 N ATOM 1309 CA SER A 423 -3.928 -0.938 -8.233 1.00 0.11 C ATOM 1310 C SER A 423 -4.164 -0.632 -9.684 1.00 0.14 C ATOM 1311 O SER A 423 -4.143 0.517 -10.114 1.00 0.17 O ATOM 1312 CB SER A 423 -4.534 0.157 -7.345 1.00 0.14 C ATOM 1313 OG SER A 423 -5.922 0.259 -7.551 1.00 0.23 O ATOM 0 H SER A 423 -1.930 -0.323 -8.377 1.00 0.09 H new ATOM 0 HA SER A 423 -4.416 -1.883 -7.994 1.00 0.11 H new ATOM 0 HB2 SER A 423 -4.333 -0.066 -6.297 1.00 0.14 H new ATOM 0 HB3 SER A 423 -4.059 1.113 -7.564 1.00 0.14 H new ATOM 0 HG SER A 423 -6.288 0.962 -6.974 1.00 0.23 H new ATOM 1319 N ASP A 424 -4.441 -1.690 -10.422 1.00 0.16 N ATOM 1320 CA ASP A 424 -4.623 -1.607 -11.853 1.00 0.21 C ATOM 1321 C ASP A 424 -6.036 -1.153 -12.159 1.00 0.24 C ATOM 1322 O ASP A 424 -6.348 -0.681 -13.251 1.00 0.27 O ATOM 1323 CB ASP A 424 -4.328 -2.966 -12.474 1.00 0.24 C ATOM 1324 CG ASP A 424 -4.759 -3.084 -13.923 1.00 0.32 C ATOM 1325 OD1 ASP A 424 -3.997 -2.661 -14.817 1.00 0.42 O1- ATOM 1326 OD2 ASP A 424 -5.849 -3.640 -14.175 1.00 0.37 O ATOM 0 H ASP A 424 -4.546 -2.631 -10.043 1.00 0.16 H new ATOM 0 HA ASP A 424 -3.935 -0.877 -12.280 1.00 0.21 H new ATOM 0 HB2 ASP A 424 -3.258 -3.161 -12.406 1.00 0.24 H new ATOM 0 HB3 ASP A 424 -4.831 -3.738 -11.891 1.00 0.24 H new ATOM 1386 N GLU A 428 -6.799 6.633 -11.002 1.00 0.31 N ATOM 1387 CA GLU A 428 -6.362 7.858 -10.396 1.00 0.22 C ATOM 1388 C GLU A 428 -5.403 7.648 -9.251 1.00 0.21 C ATOM 1389 O GLU A 428 -5.431 6.637 -8.547 1.00 0.29 O ATOM 1390 CB GLU A 428 -7.534 8.607 -9.831 1.00 0.34 C ATOM 1391 CG GLU A 428 -8.363 7.761 -8.899 1.00 1.11 C ATOM 1392 CD GLU A 428 -9.499 7.024 -9.583 1.00 1.56 C ATOM 1393 OE1 GLU A 428 -9.881 7.424 -10.702 1.00 1.48 O ATOM 1394 OE2 GLU A 428 -9.998 6.036 -9.015 1.00 2.16 O1- ATOM 0 HA GLU A 428 -5.861 8.409 -11.192 1.00 0.22 H new ATOM 0 HB2 GLU A 428 -7.176 9.487 -9.296 1.00 0.34 H new ATOM 0 HB3 GLU A 428 -8.161 8.964 -10.648 1.00 0.34 H new ATOM 0 HG2 GLU A 428 -7.714 7.034 -8.410 1.00 1.11 H new ATOM 0 HG3 GLU A 428 -8.775 8.398 -8.116 1.00 1.11 H new ATOM 1401 N TYR A 429 -4.583 8.664 -9.085 1.00 0.17 N ATOM 1402 CA TYR A 429 -3.667 8.810 -7.978 1.00 0.14 C ATOM 1403 C TYR A 429 -3.271 10.255 -7.977 1.00 0.17 C ATOM 1404 O TYR A 429 -2.957 10.828 -9.023 1.00 0.21 O ATOM 1405 CB TYR A 429 -2.387 7.970 -8.023 1.00 0.12 C ATOM 1406 CG TYR A 429 -2.534 6.588 -8.598 1.00 0.13 C ATOM 1407 CD1 TYR A 429 -2.729 6.408 -9.952 1.00 0.18 C ATOM 1408 CD2 TYR A 429 -2.472 5.467 -7.781 1.00 0.15 C ATOM 1409 CE1 TYR A 429 -2.862 5.146 -10.484 1.00 0.25 C ATOM 1410 CE2 TYR A 429 -2.603 4.203 -8.303 1.00 0.20 C ATOM 1411 CZ TYR A 429 -2.808 4.049 -9.654 1.00 0.25 C ATOM 1412 OH TYR A 429 -2.946 2.792 -10.174 1.00 0.33 O ATOM 0 H TYR A 429 -4.536 9.441 -9.745 1.00 0.17 H new ATOM 0 HA TYR A 429 -4.188 8.458 -7.088 1.00 0.14 H new ATOM 0 HB2 TYR A 429 -1.641 8.509 -8.607 1.00 0.12 H new ATOM 0 HB3 TYR A 429 -1.996 7.882 -7.009 1.00 0.12 H new ATOM 0 HD1 TYR A 429 -2.778 7.269 -10.603 1.00 0.18 H new ATOM 0 HD2 TYR A 429 -2.318 5.591 -6.719 1.00 0.15 H new ATOM 0 HE1 TYR A 429 -3.008 5.017 -11.546 1.00 0.25 H new ATOM 0 HE2 TYR A 429 -2.546 3.338 -7.658 1.00 0.20 H new ATOM 0 HH TYR A 429 -3.590 2.285 -9.637 1.00 0.33 H new ATOM 1422 N GLY A 430 -3.330 10.846 -6.840 1.00 0.15 N ATOM 1423 CA GLY A 430 -2.969 12.233 -6.728 1.00 0.17 C ATOM 1424 C GLY A 430 -3.361 12.763 -5.399 1.00 0.17 C ATOM 1425 O GLY A 430 -3.476 11.989 -4.447 1.00 0.16 O ATOM 0 H GLY A 430 -3.622 10.403 -5.969 1.00 0.15 H new ATOM 0 HA2 GLY A 430 -1.895 12.348 -6.870 1.00 0.17 H new ATOM 0 HA3 GLY A 430 -3.458 12.807 -7.515 1.00 0.17 H new ATOM 1429 N GLY A 431 -3.498 14.076 -5.307 1.00 0.19 N ATOM 1430 CA GLY A 431 -4.139 14.658 -4.155 1.00 0.21 C ATOM 1431 C GLY A 431 -5.398 13.929 -3.801 1.00 0.19 C ATOM 1432 O GLY A 431 -5.894 13.091 -4.558 1.00 0.18 O ATOM 0 H GLY A 431 -3.177 14.744 -6.008 1.00 0.19 H new ATOM 0 HA2 GLY A 431 -3.454 14.637 -3.307 1.00 0.21 H new ATOM 0 HA3 GLY A 431 -4.367 15.705 -4.354 1.00 0.21 H new ATOM 1436 N ASP A 432 -5.972 14.334 -2.711 1.00 0.21 N ATOM 1437 CA ASP A 432 -6.829 13.475 -1.943 1.00 0.21 C ATOM 1438 C ASP A 432 -7.932 12.813 -2.762 1.00 0.18 C ATOM 1439 O ASP A 432 -8.952 13.396 -3.115 1.00 0.23 O ATOM 1440 CB ASP A 432 -7.414 14.314 -0.822 1.00 0.25 C ATOM 1441 CG ASP A 432 -8.211 15.516 -1.306 1.00 1.10 C ATOM 1442 OD1 ASP A 432 -7.593 16.481 -1.807 1.00 1.14 O ATOM 1443 OD2 ASP A 432 -9.450 15.518 -1.165 1.00 1.85 O1- ATOM 0 H ASP A 432 -5.861 15.272 -2.325 1.00 0.21 H new ATOM 0 HA ASP A 432 -6.236 12.645 -1.557 1.00 0.21 H new ATOM 0 HB2 ASP A 432 -8.059 13.685 -0.209 1.00 0.25 H new ATOM 0 HB3 ASP A 432 -6.604 14.661 -0.180 1.00 0.25 H new ATOM 1448 N LEU A 433 -7.657 11.546 -3.057 1.00 0.14 N ATOM 1449 CA LEU A 433 -8.614 10.629 -3.640 1.00 0.13 C ATOM 1450 C LEU A 433 -9.261 9.812 -2.541 1.00 0.12 C ATOM 1451 O LEU A 433 -10.419 9.468 -2.605 1.00 0.14 O ATOM 1452 CB LEU A 433 -7.944 9.653 -4.618 1.00 0.15 C ATOM 1453 CG LEU A 433 -7.765 10.065 -6.054 1.00 0.39 C ATOM 1454 CD1 LEU A 433 -8.208 11.461 -6.315 1.00 1.21 C ATOM 1455 CD2 LEU A 433 -6.365 9.834 -6.475 1.00 1.08 C ATOM 0 H LEU A 433 -6.742 11.126 -2.892 1.00 0.14 H new ATOM 0 HA LEU A 433 -9.350 11.224 -4.180 1.00 0.13 H new ATOM 0 HB2 LEU A 433 -6.958 9.413 -4.219 1.00 0.15 H new ATOM 0 HB3 LEU A 433 -8.524 8.730 -4.611 1.00 0.15 H new ATOM 0 HG LEU A 433 -8.417 9.439 -6.663 1.00 0.39 H new ATOM 0 HD11 LEU A 433 -8.054 11.701 -7.367 1.00 1.21 H new ATOM 0 HD12 LEU A 433 -9.266 11.559 -6.071 1.00 1.21 H new ATOM 0 HD13 LEU A 433 -7.629 12.148 -5.698 1.00 1.21 H new ATOM 0 HD21 LEU A 433 -6.244 10.135 -7.516 1.00 1.08 H new ATOM 0 HD22 LEU A 433 -5.695 10.421 -5.847 1.00 1.08 H new ATOM 0 HD23 LEU A 433 -6.124 8.776 -6.373 1.00 1.08 H new ATOM 1467 N TRP A 434 -8.464 9.488 -1.536 1.00 0.10 N ATOM 1468 CA TRP A 434 -8.851 8.543 -0.487 1.00 0.10 C ATOM 1469 C TRP A 434 -10.155 8.934 0.188 1.00 0.11 C ATOM 1470 O TRP A 434 -10.880 8.090 0.696 1.00 0.15 O ATOM 1471 CB TRP A 434 -7.716 8.434 0.533 1.00 0.10 C ATOM 1472 CG TRP A 434 -7.411 9.726 1.193 1.00 0.10 C ATOM 1473 CD1 TRP A 434 -6.533 10.681 0.774 1.00 0.11 C ATOM 1474 CD2 TRP A 434 -8.003 10.211 2.388 1.00 0.12 C ATOM 1475 NE1 TRP A 434 -6.600 11.765 1.616 1.00 0.13 N ATOM 1476 CE2 TRP A 434 -7.482 11.485 2.623 1.00 0.13 C ATOM 1477 CE3 TRP A 434 -8.941 9.690 3.277 1.00 0.13 C ATOM 1478 CZ2 TRP A 434 -7.876 12.250 3.707 1.00 0.16 C ATOM 1479 CZ3 TRP A 434 -9.324 10.449 4.350 1.00 0.14 C ATOM 1480 CH2 TRP A 434 -8.796 11.720 4.556 1.00 0.16 C ATOM 0 H TRP A 434 -7.526 9.871 -1.419 1.00 0.10 H new ATOM 0 HA TRP A 434 -9.024 7.571 -0.948 1.00 0.10 H new ATOM 0 HB2 TRP A 434 -7.984 7.698 1.291 1.00 0.10 H new ATOM 0 HB3 TRP A 434 -6.820 8.065 0.034 1.00 0.10 H new ATOM 0 HD1 TRP A 434 -5.885 10.598 -0.086 1.00 0.11 H new ATOM 0 HE1 TRP A 434 -6.078 12.635 1.508 1.00 0.13 H new ATOM 0 HE3 TRP A 434 -9.358 8.706 3.122 1.00 0.13 H new ATOM 0 HZ2 TRP A 434 -7.466 13.235 3.873 1.00 0.16 H new ATOM 0 HZ3 TRP A 434 -10.048 10.055 5.048 1.00 0.14 H new ATOM 0 HH2 TRP A 434 -9.124 12.297 5.408 1.00 0.16 H new ATOM 1491 N LYS A 435 -10.442 10.223 0.189 1.00 0.12 N ATOM 1492 CA LYS A 435 -11.622 10.735 0.846 1.00 0.14 C ATOM 1493 C LYS A 435 -12.816 10.788 -0.082 1.00 0.17 C ATOM 1494 O LYS A 435 -13.956 10.587 0.328 1.00 0.20 O ATOM 1495 CB LYS A 435 -11.319 12.120 1.378 1.00 0.15 C ATOM 1496 CG LYS A 435 -9.981 12.607 0.914 1.00 0.15 C ATOM 1497 CD LYS A 435 -9.623 13.929 1.499 1.00 0.17 C ATOM 1498 CE LYS A 435 -10.230 14.141 2.857 1.00 0.18 C ATOM 1499 NZ LYS A 435 -9.878 15.468 3.428 1.00 0.22 N1+ ATOM 0 H LYS A 435 -9.868 10.935 -0.262 1.00 0.12 H new ATOM 0 HA LYS A 435 -11.881 10.059 1.661 1.00 0.14 H new ATOM 0 HB2 LYS A 435 -12.093 12.814 1.050 1.00 0.15 H new ATOM 0 HB3 LYS A 435 -11.344 12.106 2.468 1.00 0.15 H new ATOM 0 HG2 LYS A 435 -9.218 11.876 1.182 1.00 0.15 H new ATOM 0 HG3 LYS A 435 -9.982 12.682 -0.173 1.00 0.15 H new ATOM 0 HD2 LYS A 435 -8.538 14.008 1.573 1.00 0.17 H new ATOM 0 HD3 LYS A 435 -9.955 14.721 0.828 1.00 0.17 H new ATOM 0 HE2 LYS A 435 -11.314 14.054 2.786 1.00 0.18 H new ATOM 0 HE3 LYS A 435 -9.890 13.355 3.532 1.00 0.18 H new ATOM 0 HZ1 LYS A 435 -10.318 15.571 4.365 1.00 0.22 H new ATOM 0 HZ2 LYS A 435 -8.845 15.543 3.521 1.00 0.22 H new ATOM 0 HZ3 LYS A 435 -10.225 16.220 2.798 1.00 0.22 H new ATOM 1513 N THR A 436 -12.538 11.088 -1.322 1.00 0.16 N ATOM 1514 CA THR A 436 -13.576 11.262 -2.324 1.00 0.19 C ATOM 1515 C THR A 436 -13.880 9.943 -3.022 1.00 0.19 C ATOM 1516 O THR A 436 -15.037 9.567 -3.228 1.00 0.22 O ATOM 1517 CB THR A 436 -13.117 12.323 -3.344 1.00 0.23 C ATOM 1518 OG1 THR A 436 -12.315 11.738 -4.373 1.00 0.25 O ATOM 1519 CG2 THR A 436 -12.279 13.352 -2.631 1.00 0.21 C ATOM 0 H THR A 436 -11.590 11.220 -1.674 1.00 0.16 H new ATOM 0 HA THR A 436 -14.492 11.598 -1.839 1.00 0.19 H new ATOM 0 HB THR A 436 -14.003 12.771 -3.793 1.00 0.23 H new ATOM 0 HG1 THR A 436 -12.039 12.432 -5.007 1.00 0.25 H new ATOM 0 HG21 THR A 436 -11.948 14.108 -3.343 1.00 0.21 H new ATOM 0 HG22 THR A 436 -12.872 13.825 -1.848 1.00 0.21 H new ATOM 0 HG23 THR A 436 -11.410 12.868 -2.186 1.00 0.21 H new ATOM 1527 N ARG A 437 -12.818 9.240 -3.347 1.00 0.18 N ATOM 1528 CA ARG A 437 -12.890 7.974 -4.049 1.00 0.20 C ATOM 1529 C ARG A 437 -12.907 6.836 -3.046 1.00 0.20 C ATOM 1530 O ARG A 437 -13.287 5.712 -3.370 1.00 0.24 O ATOM 1531 CB ARG A 437 -11.667 7.874 -4.948 1.00 0.24 C ATOM 1532 CG ARG A 437 -11.228 9.192 -5.449 1.00 0.27 C ATOM 1533 CD ARG A 437 -10.556 9.060 -6.772 1.00 0.40 C ATOM 1534 NE ARG A 437 -11.518 8.980 -7.866 1.00 0.71 N ATOM 1535 CZ ARG A 437 -11.484 9.741 -8.961 1.00 1.26 C ATOM 1536 NH1 ARG A 437 -10.540 10.663 -9.112 1.00 1.82 N1+ ATOM 1537 NH2 ARG A 437 -12.402 9.583 -9.903 1.00 1.47 N ATOM 0 H ARG A 437 -11.866 9.534 -3.129 1.00 0.18 H new ATOM 0 HA ARG A 437 -13.799 7.912 -4.647 1.00 0.20 H new ATOM 0 HB2 ARG A 437 -10.851 7.408 -4.396 1.00 0.24 H new ATOM 0 HB3 ARG A 437 -11.893 7.224 -5.793 1.00 0.24 H new ATOM 0 HG2 ARG A 437 -12.087 9.857 -5.538 1.00 0.27 H new ATOM 0 HG3 ARG A 437 -10.544 9.649 -4.733 1.00 0.27 H new ATOM 0 HD2 ARG A 437 -9.896 9.913 -6.931 1.00 0.40 H new ATOM 0 HD3 ARG A 437 -9.930 8.168 -6.774 1.00 0.40 H new ATOM 0 HE ARG A 437 -12.269 8.294 -7.788 1.00 0.71 H new ATOM 0 HH11 ARG A 437 -9.834 10.793 -8.388 1.00 1.82 H new ATOM 0 HH12 ARG A 437 -10.521 11.241 -9.952 1.00 1.82 H new ATOM 0 HH21 ARG A 437 -13.133 8.881 -9.790 1.00 1.47 H new ATOM 0 HH22 ARG A 437 -12.378 10.164 -10.741 1.00 1.47 H new ATOM 1551 N GLY A 438 -12.488 7.163 -1.823 1.00 0.17 N ATOM 1552 CA GLY A 438 -12.780 6.335 -0.670 1.00 0.18 C ATOM 1553 C GLY A 438 -12.377 4.883 -0.804 1.00 0.21 C ATOM 1554 O GLY A 438 -13.196 4.002 -0.541 1.00 0.24 O ATOM 0 H GLY A 438 -11.944 8.000 -1.613 1.00 0.17 H new ATOM 0 HA2 GLY A 438 -12.275 6.757 0.199 1.00 0.18 H new ATOM 0 HA3 GLY A 438 -13.851 6.382 -0.470 1.00 0.18 H new ATOM 1558 N SER A 439 -11.150 4.598 -1.211 1.00 0.22 N ATOM 1559 CA SER A 439 -10.792 3.213 -1.453 1.00 0.27 C ATOM 1560 C SER A 439 -10.390 2.509 -0.158 1.00 0.27 C ATOM 1561 O SER A 439 -9.331 2.772 0.410 1.00 0.27 O ATOM 1562 CB SER A 439 -9.653 3.112 -2.468 1.00 0.31 C ATOM 1563 OG SER A 439 -10.005 3.709 -3.708 1.00 1.01 O ATOM 0 H SER A 439 -10.410 5.281 -1.376 1.00 0.22 H new ATOM 0 HA SER A 439 -11.674 2.717 -1.859 1.00 0.27 H new ATOM 0 HB2 SER A 439 -8.764 3.599 -2.068 1.00 0.31 H new ATOM 0 HB3 SER A 439 -9.398 2.064 -2.627 1.00 0.31 H new ATOM 0 HG SER A 439 -9.255 3.629 -4.334 1.00 1.01 H new ATOM 1569 N HIS A 440 -11.260 1.592 0.260 1.00 0.29 N ATOM 1570 CA HIS A 440 -11.052 0.712 1.412 1.00 0.32 C ATOM 1571 C HIS A 440 -10.334 1.374 2.597 1.00 0.28 C ATOM 1572 O HIS A 440 -10.754 2.432 3.074 1.00 0.34 O ATOM 1573 CB HIS A 440 -10.325 -0.560 0.985 1.00 0.36 C ATOM 1574 CG HIS A 440 -11.180 -1.528 0.236 1.00 0.40 C ATOM 1575 ND1 HIS A 440 -12.435 -1.894 0.662 1.00 0.45 N ATOM 1576 CD2 HIS A 440 -10.947 -2.235 -0.893 1.00 0.42 C ATOM 1577 CE1 HIS A 440 -12.936 -2.785 -0.162 1.00 0.50 C ATOM 1578 NE2 HIS A 440 -12.057 -3.009 -1.120 1.00 0.48 N ATOM 0 H HIS A 440 -12.154 1.435 -0.205 1.00 0.29 H new ATOM 0 HA HIS A 440 -12.049 0.465 1.778 1.00 0.32 H new ATOM 0 HB2 HIS A 440 -9.473 -0.287 0.363 1.00 0.36 H new ATOM 0 HB3 HIS A 440 -9.927 -1.053 1.872 1.00 0.36 H new ATOM 0 HD2 HIS A 440 -10.055 -2.197 -1.501 1.00 0.42 H new ATOM 0 HE1 HIS A 440 -13.904 -3.255 -0.071 1.00 0.50 H new ATOM 0 HE2 HIS A 440 -12.182 -3.652 -1.902 1.00 0.48 H new ATOM 1587 N GLY A 441 -9.254 0.745 3.063 1.00 0.23 N ATOM 1588 CA GLY A 441 -8.567 1.214 4.253 1.00 0.22 C ATOM 1589 C GLY A 441 -7.079 1.398 4.044 1.00 0.17 C ATOM 1590 O GLY A 441 -6.429 2.127 4.799 1.00 0.26 O ATOM 0 H GLY A 441 -8.843 -0.084 2.634 1.00 0.23 H new ATOM 0 HA2 GLY A 441 -9.004 2.162 4.568 1.00 0.22 H new ATOM 0 HA3 GLY A 441 -8.729 0.503 5.063 1.00 0.22 H new ATOM 1594 N CYS A 442 -6.528 0.732 3.034 1.00 0.10 N ATOM 1595 CA CYS A 442 -5.101 0.768 2.806 1.00 0.15 C ATOM 1596 C CYS A 442 -4.722 1.706 1.669 1.00 0.13 C ATOM 1597 O CYS A 442 -5.493 2.573 1.277 1.00 0.21 O ATOM 1598 CB CYS A 442 -4.565 -0.629 2.515 1.00 0.24 C ATOM 1599 SG CYS A 442 -5.251 -1.381 1.026 1.00 0.35 S ATOM 0 H CYS A 442 -7.052 0.165 2.367 1.00 0.10 H new ATOM 0 HA CYS A 442 -4.648 1.149 3.721 1.00 0.15 H new ATOM 0 HB2 CYS A 442 -3.481 -0.578 2.418 1.00 0.24 H new ATOM 0 HB3 CYS A 442 -4.779 -1.274 3.367 1.00 0.24 H new ATOM 0 HG CYS A 442 -4.645 -2.506 0.789 1.00 0.35 H new ATOM 1604 N ILE A 443 -3.483 1.575 1.215 1.00 0.09 N ATOM 1605 CA ILE A 443 -2.925 2.463 0.206 1.00 0.07 C ATOM 1606 C ILE A 443 -3.042 1.844 -1.174 1.00 0.08 C ATOM 1607 O ILE A 443 -2.675 0.690 -1.381 1.00 0.12 O ATOM 1608 CB ILE A 443 -1.440 2.778 0.496 1.00 0.07 C ATOM 1609 CG1 ILE A 443 -1.276 3.709 1.709 1.00 0.09 C ATOM 1610 CG2 ILE A 443 -0.766 3.397 -0.730 1.00 0.07 C ATOM 1611 CD1 ILE A 443 -1.634 3.098 3.049 1.00 0.11 C ATOM 0 H ILE A 443 -2.838 0.852 1.535 1.00 0.09 H new ATOM 0 HA ILE A 443 -3.495 3.391 0.239 1.00 0.07 H new ATOM 0 HB ILE A 443 -0.954 1.831 0.731 1.00 0.07 H new ATOM 0 HG12 ILE A 443 -0.241 4.048 1.748 1.00 0.09 H new ATOM 0 HG13 ILE A 443 -1.895 4.592 1.554 1.00 0.09 H new ATOM 0 HG21 ILE A 443 0.278 3.610 -0.502 1.00 0.07 H new ATOM 0 HG22 ILE A 443 -0.820 2.700 -1.566 1.00 0.07 H new ATOM 0 HG23 ILE A 443 -1.276 4.323 -0.997 1.00 0.07 H new ATOM 0 HD11 ILE A 443 -1.484 3.836 3.837 1.00 0.11 H new ATOM 0 HD12 ILE A 443 -2.678 2.785 3.039 1.00 0.11 H new ATOM 0 HD13 ILE A 443 -0.998 2.233 3.236 1.00 0.11 H new ATOM 1623 N ASN A 444 -3.545 2.624 -2.115 1.00 0.08 N ATOM 1624 CA ASN A 444 -3.748 2.142 -3.471 1.00 0.08 C ATOM 1625 C ASN A 444 -2.681 2.712 -4.399 1.00 0.07 C ATOM 1626 O ASN A 444 -2.797 3.830 -4.900 1.00 0.11 O ATOM 1627 CB ASN A 444 -5.154 2.484 -3.966 1.00 0.11 C ATOM 1628 CG ASN A 444 -6.236 1.576 -3.385 1.00 0.27 C ATOM 1629 OD1 ASN A 444 -7.227 1.266 -4.048 1.00 0.62 O ATOM 1630 ND2 ASN A 444 -6.058 1.129 -2.151 1.00 0.15 N ATOM 0 H ASN A 444 -3.821 3.595 -1.965 1.00 0.08 H new ATOM 0 HA ASN A 444 -3.655 1.056 -3.472 1.00 0.08 H new ATOM 0 HB2 ASN A 444 -5.381 3.519 -3.709 1.00 0.11 H new ATOM 0 HB3 ASN A 444 -5.176 2.414 -5.054 1.00 0.11 H new ATOM 0 HD21 ASN A 444 -6.751 0.512 -1.727 1.00 0.15 H new ATOM 0 HD22 ASN A 444 -5.228 1.402 -1.625 1.00 0.15 H new ATOM 1637 N THR A 445 -1.632 1.934 -4.576 1.00 0.08 N ATOM 1638 CA THR A 445 -0.474 2.295 -5.353 1.00 0.08 C ATOM 1639 C THR A 445 -0.593 1.889 -6.814 1.00 0.08 C ATOM 1640 O THR A 445 -1.205 0.897 -7.141 1.00 0.10 O ATOM 1641 CB THR A 445 0.721 1.597 -4.714 1.00 0.06 C ATOM 1642 OG1 THR A 445 0.633 1.679 -3.285 1.00 0.09 O ATOM 1643 CG2 THR A 445 1.994 2.217 -5.158 1.00 0.06 C ATOM 0 H THR A 445 -1.565 1.002 -4.167 1.00 0.08 H new ATOM 0 HA THR A 445 -0.365 3.380 -5.351 1.00 0.08 H new ATOM 0 HB THR A 445 0.707 0.553 -5.025 1.00 0.06 H new ATOM 0 HG1 THR A 445 1.514 1.895 -2.915 1.00 0.09 H new ATOM 0 HG21 THR A 445 2.832 1.702 -4.689 1.00 0.06 H new ATOM 0 HG22 THR A 445 2.079 2.137 -6.242 1.00 0.06 H new ATOM 0 HG23 THR A 445 2.007 3.268 -4.870 1.00 0.06 H new ATOM 1651 N PRO A 446 -0.028 2.710 -7.707 1.00 0.08 N ATOM 1652 CA PRO A 446 0.049 2.429 -9.146 1.00 0.10 C ATOM 1653 C PRO A 446 0.600 1.063 -9.467 1.00 0.14 C ATOM 1654 O PRO A 446 1.480 0.545 -8.773 1.00 0.24 O ATOM 1655 CB PRO A 446 0.980 3.522 -9.660 1.00 0.10 C ATOM 1656 CG PRO A 446 0.792 4.644 -8.715 1.00 0.08 C ATOM 1657 CD PRO A 446 0.543 4.021 -7.381 1.00 0.07 C ATOM 0 HA PRO A 446 -0.939 2.427 -9.606 1.00 0.10 H new ATOM 0 HB2 PRO A 446 2.017 3.185 -9.675 1.00 0.10 H new ATOM 0 HB3 PRO A 446 0.725 3.814 -10.679 1.00 0.10 H new ATOM 0 HG2 PRO A 446 1.674 5.284 -8.688 1.00 0.08 H new ATOM 0 HG3 PRO A 446 -0.047 5.271 -9.016 1.00 0.08 H new ATOM 0 HD2 PRO A 446 1.464 3.924 -6.807 1.00 0.07 H new ATOM 0 HD3 PRO A 446 -0.144 4.619 -6.783 1.00 0.07 H new ATOM 1665 N PRO A 447 0.099 0.474 -10.549 1.00 0.12 N ATOM 1666 CA PRO A 447 0.459 -0.870 -10.953 1.00 0.12 C ATOM 1667 C PRO A 447 1.914 -0.972 -11.398 1.00 0.14 C ATOM 1668 O PRO A 447 2.532 -2.038 -11.344 1.00 0.31 O ATOM 1669 CB PRO A 447 -0.464 -1.144 -12.128 1.00 0.15 C ATOM 1670 CG PRO A 447 -1.543 -0.151 -12.004 1.00 0.14 C ATOM 1671 CD PRO A 447 -0.870 1.062 -11.482 1.00 0.13 C ATOM 0 HA PRO A 447 0.357 -1.580 -10.132 1.00 0.12 H new ATOM 0 HB2 PRO A 447 0.063 -1.038 -13.077 1.00 0.15 H new ATOM 0 HB3 PRO A 447 -0.857 -2.160 -12.093 1.00 0.15 H new ATOM 0 HG2 PRO A 447 -2.018 0.041 -12.966 1.00 0.14 H new ATOM 0 HG3 PRO A 447 -2.324 -0.495 -11.326 1.00 0.14 H new ATOM 0 HD2 PRO A 447 -0.385 1.635 -12.272 1.00 0.13 H new ATOM 0 HD3 PRO A 447 -1.566 1.735 -10.982 1.00 0.13 H new ATOM 1679 N SER A 448 2.459 0.155 -11.808 1.00 0.12 N ATOM 1680 CA SER A 448 3.796 0.216 -12.363 1.00 0.11 C ATOM 1681 C SER A 448 4.862 0.226 -11.283 1.00 0.09 C ATOM 1682 O SER A 448 6.008 -0.131 -11.509 1.00 0.09 O ATOM 1683 CB SER A 448 3.907 1.480 -13.186 1.00 0.14 C ATOM 1684 OG SER A 448 3.515 2.611 -12.423 1.00 1.10 O ATOM 0 H SER A 448 1.986 1.058 -11.766 1.00 0.12 H new ATOM 0 HA SER A 448 3.959 -0.672 -12.974 1.00 0.11 H new ATOM 0 HB2 SER A 448 4.933 1.606 -13.532 1.00 0.14 H new ATOM 0 HB3 SER A 448 3.279 1.398 -14.073 1.00 0.14 H new ATOM 0 HG SER A 448 3.595 3.419 -12.971 1.00 1.10 H new ATOM 1690 N VAL A 449 4.482 0.682 -10.116 1.00 0.07 N ATOM 1691 CA VAL A 449 5.439 0.935 -9.059 1.00 0.06 C ATOM 1692 C VAL A 449 5.500 -0.174 -8.050 1.00 0.05 C ATOM 1693 O VAL A 449 6.564 -0.664 -7.729 1.00 0.05 O ATOM 1694 CB VAL A 449 5.113 2.257 -8.392 1.00 0.06 C ATOM 1695 CG1 VAL A 449 5.182 3.345 -9.425 1.00 0.08 C ATOM 1696 CG2 VAL A 449 3.754 2.194 -7.763 1.00 0.06 C ATOM 0 H VAL A 449 3.514 0.887 -9.870 1.00 0.07 H new ATOM 0 HA VAL A 449 6.429 0.985 -9.512 1.00 0.06 H new ATOM 0 HB VAL A 449 5.834 2.468 -7.602 1.00 0.06 H new ATOM 0 HG11 VAL A 449 4.950 4.303 -8.960 1.00 0.08 H new ATOM 0 HG12 VAL A 449 6.186 3.381 -9.849 1.00 0.08 H new ATOM 0 HG13 VAL A 449 4.461 3.141 -10.217 1.00 0.08 H new ATOM 0 HG21 VAL A 449 3.529 3.148 -7.287 1.00 0.06 H new ATOM 0 HG22 VAL A 449 3.008 1.986 -8.530 1.00 0.06 H new ATOM 0 HG23 VAL A 449 3.736 1.402 -7.015 1.00 0.06 H new ATOM 1706 N MET A 450 4.376 -0.605 -7.564 1.00 0.05 N ATOM 1707 CA MET A 450 4.380 -1.649 -6.566 1.00 0.05 C ATOM 1708 C MET A 450 4.876 -2.952 -7.167 1.00 0.05 C ATOM 1709 O MET A 450 5.041 -3.947 -6.464 1.00 0.06 O ATOM 1710 CB MET A 450 3.014 -1.790 -5.909 1.00 0.07 C ATOM 1711 CG MET A 450 2.956 -1.290 -4.468 1.00 0.06 C ATOM 1712 SD MET A 450 3.244 -2.589 -3.245 1.00 0.06 S ATOM 1713 CE MET A 450 2.939 -4.053 -4.203 1.00 0.05 C ATOM 0 H MET A 450 3.454 -0.261 -7.832 1.00 0.05 H new ATOM 0 HA MET A 450 5.074 -1.373 -5.772 1.00 0.05 H new ATOM 0 HB2 MET A 450 2.281 -1.242 -6.501 1.00 0.07 H new ATOM 0 HB3 MET A 450 2.721 -2.840 -5.929 1.00 0.07 H new ATOM 0 HG2 MET A 450 3.699 -0.504 -4.334 1.00 0.06 H new ATOM 0 HG3 MET A 450 1.980 -0.840 -4.286 1.00 0.06 H new ATOM 0 HE1 MET A 450 2.798 -4.902 -3.535 1.00 0.05 H new ATOM 0 HE2 MET A 450 2.042 -3.913 -4.806 1.00 0.05 H new ATOM 0 HE3 MET A 450 3.790 -4.243 -4.858 1.00 0.05 H new ATOM 1723 N LYS A 451 5.164 -2.939 -8.449 1.00 0.05 N ATOM 1724 CA LYS A 451 5.770 -4.087 -9.063 1.00 0.05 C ATOM 1725 C LYS A 451 7.257 -4.047 -8.765 1.00 0.05 C ATOM 1726 O LYS A 451 7.888 -5.050 -8.423 1.00 0.06 O ATOM 1727 CB LYS A 451 5.539 -4.066 -10.554 1.00 0.06 C ATOM 1728 CG LYS A 451 6.291 -2.984 -11.185 1.00 0.06 C ATOM 1729 CD LYS A 451 6.104 -2.960 -12.649 1.00 0.08 C ATOM 1730 CE LYS A 451 7.195 -2.142 -13.249 1.00 0.10 C ATOM 1731 NZ LYS A 451 6.904 -1.719 -14.643 1.00 0.92 N1+ ATOM 0 H LYS A 451 4.989 -2.154 -9.076 1.00 0.05 H new ATOM 0 HA LYS A 451 5.329 -5.001 -8.666 1.00 0.05 H new ATOM 0 HB2 LYS A 451 5.838 -5.021 -10.985 1.00 0.06 H new ATOM 0 HB3 LYS A 451 4.476 -3.942 -10.759 1.00 0.06 H new ATOM 0 HG2 LYS A 451 5.975 -2.030 -10.764 1.00 0.06 H new ATOM 0 HG3 LYS A 451 7.351 -3.098 -10.957 1.00 0.06 H new ATOM 0 HD2 LYS A 451 6.125 -3.973 -13.051 1.00 0.08 H new ATOM 0 HD3 LYS A 451 5.131 -2.537 -12.900 1.00 0.08 H new ATOM 0 HE2 LYS A 451 7.359 -1.257 -12.634 1.00 0.10 H new ATOM 0 HE3 LYS A 451 8.122 -2.716 -13.235 1.00 0.10 H new ATOM 0 HZ1 LYS A 451 7.698 -1.154 -15.007 1.00 0.92 H new ATOM 0 HZ2 LYS A 451 6.775 -2.560 -15.241 1.00 0.92 H new ATOM 0 HZ3 LYS A 451 6.036 -1.147 -14.658 1.00 0.92 H new ATOM 1745 N GLU A 452 7.759 -2.810 -8.832 1.00 0.05 N ATOM 1746 CA GLU A 452 9.132 -2.478 -8.661 1.00 0.05 C ATOM 1747 C GLU A 452 9.491 -2.890 -7.294 1.00 0.05 C ATOM 1748 O GLU A 452 10.530 -3.458 -7.012 1.00 0.06 O ATOM 1749 CB GLU A 452 9.229 -0.978 -8.729 1.00 0.05 C ATOM 1750 CG GLU A 452 8.772 -0.401 -10.025 1.00 0.07 C ATOM 1751 CD GLU A 452 9.890 -0.121 -11.004 1.00 0.12 C ATOM 1752 OE1 GLU A 452 10.589 0.896 -10.836 1.00 0.25 O1- ATOM 1753 OE2 GLU A 452 10.081 -0.921 -11.943 1.00 0.24 O ATOM 0 H GLU A 452 7.174 -1.995 -9.016 1.00 0.05 H new ATOM 0 HA GLU A 452 9.773 -2.950 -9.406 1.00 0.05 H new ATOM 0 HB2 GLU A 452 8.635 -0.548 -7.922 1.00 0.05 H new ATOM 0 HB3 GLU A 452 10.264 -0.682 -8.556 1.00 0.05 H new ATOM 0 HG2 GLU A 452 8.063 -1.088 -10.487 1.00 0.07 H new ATOM 0 HG3 GLU A 452 8.235 0.527 -9.828 1.00 0.07 H new ATOM 1760 N LEU A 453 8.573 -2.485 -6.459 1.00 0.04 N ATOM 1761 CA LEU A 453 8.504 -2.819 -5.098 1.00 0.04 C ATOM 1762 C LEU A 453 8.696 -4.264 -4.856 1.00 0.05 C ATOM 1763 O LEU A 453 9.682 -4.647 -4.263 1.00 0.05 O ATOM 1764 CB LEU A 453 7.133 -2.433 -4.627 1.00 0.04 C ATOM 1765 CG LEU A 453 7.119 -1.843 -3.278 1.00 0.04 C ATOM 1766 CD1 LEU A 453 8.297 -0.980 -3.129 1.00 0.03 C ATOM 1767 CD2 LEU A 453 5.909 -1.031 -3.054 1.00 0.05 C ATOM 0 H LEU A 453 7.811 -1.873 -6.750 1.00 0.04 H new ATOM 0 HA LEU A 453 9.299 -2.297 -4.565 1.00 0.04 H new ATOM 0 HB2 LEU A 453 6.703 -1.720 -5.331 1.00 0.04 H new ATOM 0 HB3 LEU A 453 6.493 -3.315 -4.636 1.00 0.04 H new ATOM 0 HG LEU A 453 7.129 -2.654 -2.550 1.00 0.04 H new ATOM 0 HD11 LEU A 453 8.299 -0.536 -2.133 1.00 0.03 H new ATOM 0 HD12 LEU A 453 9.202 -1.573 -3.264 1.00 0.03 H new ATOM 0 HD13 LEU A 453 8.266 -0.189 -3.879 1.00 0.03 H new ATOM 0 HD21 LEU A 453 5.933 -0.612 -2.048 1.00 0.05 H new ATOM 0 HD22 LEU A 453 5.873 -0.222 -3.784 1.00 0.05 H new ATOM 0 HD23 LEU A 453 5.024 -1.658 -3.164 1.00 0.05 H new ATOM 1779 N PHE A 454 7.754 -5.055 -5.294 1.00 0.05 N ATOM 1780 CA PHE A 454 7.876 -6.510 -5.173 1.00 0.06 C ATOM 1781 C PHE A 454 9.283 -6.940 -5.606 1.00 0.07 C ATOM 1782 O PHE A 454 9.821 -7.952 -5.147 1.00 0.09 O ATOM 1783 CB PHE A 454 6.798 -7.232 -6.009 1.00 0.07 C ATOM 1784 CG PHE A 454 6.968 -8.738 -6.070 1.00 0.08 C ATOM 1785 CD1 PHE A 454 7.895 -9.350 -6.921 1.00 0.11 C ATOM 1786 CD2 PHE A 454 6.169 -9.548 -5.276 1.00 0.09 C ATOM 1787 CE1 PHE A 454 8.000 -10.727 -6.960 1.00 0.13 C ATOM 1788 CE2 PHE A 454 6.279 -10.918 -5.318 1.00 0.12 C ATOM 1789 CZ PHE A 454 7.364 -11.488 -6.205 1.00 0.12 C ATOM 0 H PHE A 454 6.893 -4.734 -5.737 1.00 0.05 H new ATOM 0 HA PHE A 454 7.720 -6.791 -4.132 1.00 0.06 H new ATOM 0 HB2 PHE A 454 5.817 -7.004 -5.592 1.00 0.07 H new ATOM 0 HB3 PHE A 454 6.813 -6.834 -7.024 1.00 0.07 H new ATOM 0 HD1 PHE A 454 8.531 -8.744 -7.549 1.00 0.11 H new ATOM 0 HD2 PHE A 454 5.447 -9.094 -4.613 1.00 0.09 H new ATOM 0 HE1 PHE A 454 8.669 -11.168 -7.684 1.00 0.13 H new ATOM 0 HE2 PHE A 454 5.622 -11.556 -4.745 1.00 0.12 H new ATOM 0 HZ PHE A 454 7.585 -12.545 -6.184 1.00 0.12 H new ATOM 1799 N GLY A 455 9.897 -6.098 -6.430 1.00 0.06 N ATOM 1800 CA GLY A 455 11.187 -6.404 -6.990 1.00 0.08 C ATOM 1801 C GLY A 455 12.315 -5.940 -6.093 1.00 0.08 C ATOM 1802 O GLY A 455 13.420 -6.478 -6.150 1.00 0.13 O ATOM 0 H GLY A 455 9.512 -5.199 -6.719 1.00 0.06 H new ATOM 0 HA2 GLY A 455 11.268 -7.479 -7.149 1.00 0.08 H new ATOM 0 HA3 GLY A 455 11.281 -5.929 -7.967 1.00 0.08 H new ATOM 1806 N MET A 456 12.055 -4.916 -5.278 1.00 0.06 N ATOM 1807 CA MET A 456 13.044 -4.447 -4.332 1.00 0.05 C ATOM 1808 C MET A 456 12.784 -4.901 -2.929 1.00 0.05 C ATOM 1809 O MET A 456 13.704 -5.304 -2.224 1.00 0.06 O ATOM 1810 CB MET A 456 13.161 -2.949 -4.337 1.00 0.05 C ATOM 1811 CG MET A 456 11.875 -2.248 -4.491 1.00 0.04 C ATOM 1812 SD MET A 456 11.918 -1.069 -5.828 1.00 0.05 S ATOM 1813 CE MET A 456 10.469 -0.192 -5.358 1.00 0.04 C ATOM 0 H MET A 456 11.172 -4.405 -5.261 1.00 0.06 H new ATOM 0 HA MET A 456 13.981 -4.891 -4.668 1.00 0.05 H new ATOM 0 HB2 MET A 456 13.629 -2.628 -3.406 1.00 0.05 H new ATOM 0 HB3 MET A 456 13.826 -2.649 -5.147 1.00 0.05 H new ATOM 0 HG2 MET A 456 11.084 -2.976 -4.674 1.00 0.04 H new ATOM 0 HG3 MET A 456 11.627 -1.735 -3.562 1.00 0.04 H new ATOM 0 HE1 MET A 456 9.654 -0.445 -6.036 1.00 0.04 H new ATOM 0 HE2 MET A 456 10.192 -0.466 -4.340 1.00 0.04 H new ATOM 0 HE3 MET A 456 10.661 0.880 -5.406 1.00 0.04 H new ATOM 1823 N VAL A 457 11.557 -4.816 -2.498 1.00 0.05 N ATOM 1824 CA VAL A 457 11.241 -5.248 -1.168 1.00 0.05 C ATOM 1825 C VAL A 457 11.290 -6.735 -1.070 1.00 0.07 C ATOM 1826 O VAL A 457 11.027 -7.471 -2.023 1.00 0.08 O ATOM 1827 CB VAL A 457 9.910 -4.707 -0.624 1.00 0.05 C ATOM 1828 CG1 VAL A 457 9.155 -3.921 -1.667 1.00 0.04 C ATOM 1829 CG2 VAL A 457 9.061 -5.819 -0.034 1.00 0.05 C ATOM 0 H VAL A 457 10.771 -4.457 -3.039 1.00 0.05 H new ATOM 0 HA VAL A 457 12.012 -4.816 -0.530 1.00 0.05 H new ATOM 0 HB VAL A 457 10.148 -4.014 0.183 1.00 0.05 H new ATOM 0 HG11 VAL A 457 8.220 -3.556 -1.242 1.00 0.04 H new ATOM 0 HG12 VAL A 457 9.760 -3.075 -1.993 1.00 0.04 H new ATOM 0 HG13 VAL A 457 8.939 -4.563 -2.521 1.00 0.04 H new ATOM 0 HG21 VAL A 457 8.126 -5.403 0.342 1.00 0.05 H new ATOM 0 HG22 VAL A 457 8.845 -6.559 -0.804 1.00 0.05 H new ATOM 0 HG23 VAL A 457 9.602 -6.294 0.784 1.00 0.05 H new ATOM 1839 N GLU A 458 11.673 -7.150 0.094 1.00 0.08 N ATOM 1840 CA GLU A 458 11.816 -8.521 0.391 1.00 0.10 C ATOM 1841 C GLU A 458 10.918 -8.839 1.552 1.00 0.09 C ATOM 1842 O GLU A 458 10.564 -7.954 2.320 1.00 0.10 O ATOM 1843 CB GLU A 458 13.266 -8.786 0.751 1.00 0.13 C ATOM 1844 CG GLU A 458 14.096 -7.527 0.736 1.00 0.20 C ATOM 1845 CD GLU A 458 15.430 -7.667 1.436 1.00 0.27 C ATOM 1846 OE1 GLU A 458 16.407 -8.089 0.785 1.00 0.48 O1- ATOM 1847 OE2 GLU A 458 15.507 -7.351 2.640 1.00 0.46 O ATOM 0 H GLU A 458 11.897 -6.528 0.871 1.00 0.08 H new ATOM 0 HA GLU A 458 11.543 -9.145 -0.460 1.00 0.10 H new ATOM 0 HB2 GLU A 458 13.316 -9.240 1.741 1.00 0.13 H new ATOM 0 HB3 GLU A 458 13.687 -9.505 0.049 1.00 0.13 H new ATOM 0 HG2 GLU A 458 14.268 -7.229 -0.298 1.00 0.20 H new ATOM 0 HG3 GLU A 458 13.530 -6.724 1.209 1.00 0.20 H new ATOM 1854 N LYS A 459 10.502 -10.083 1.639 1.00 0.11 N ATOM 1855 CA LYS A 459 9.759 -10.542 2.784 1.00 0.13 C ATOM 1856 C LYS A 459 10.530 -10.275 4.039 1.00 0.15 C ATOM 1857 O LYS A 459 11.474 -10.985 4.383 1.00 0.18 O ATOM 1858 CB LYS A 459 9.435 -12.002 2.663 1.00 0.16 C ATOM 1859 CG LYS A 459 8.742 -12.286 1.383 1.00 0.22 C ATOM 1860 CD LYS A 459 8.106 -13.632 1.432 1.00 0.70 C ATOM 1861 CE LYS A 459 9.082 -14.732 1.059 1.00 0.40 C ATOM 1862 NZ LYS A 459 8.422 -16.064 0.969 1.00 0.99 N1+ ATOM 0 H LYS A 459 10.668 -10.794 0.927 1.00 0.11 H new ATOM 0 HA LYS A 459 8.818 -9.993 2.827 1.00 0.13 H new ATOM 0 HB2 LYS A 459 10.352 -12.588 2.723 1.00 0.16 H new ATOM 0 HB3 LYS A 459 8.805 -12.309 3.498 1.00 0.16 H new ATOM 0 HG2 LYS A 459 7.985 -11.525 1.194 1.00 0.22 H new ATOM 0 HG3 LYS A 459 9.453 -12.241 0.558 1.00 0.22 H new ATOM 0 HD2 LYS A 459 7.719 -13.814 2.434 1.00 0.70 H new ATOM 0 HD3 LYS A 459 7.254 -13.656 0.752 1.00 0.70 H new ATOM 0 HE2 LYS A 459 9.547 -14.494 0.102 1.00 0.40 H new ATOM 0 HE3 LYS A 459 9.880 -14.773 1.800 1.00 0.40 H new ATOM 0 HZ1 LYS A 459 9.127 -16.784 0.712 1.00 0.99 H new ATOM 0 HZ2 LYS A 459 8.000 -16.305 1.888 1.00 0.99 H new ATOM 0 HZ3 LYS A 459 7.677 -16.034 0.244 1.00 0.99 H new ATOM 1876 N GLY A 460 10.093 -9.245 4.713 1.00 0.15 N ATOM 1877 CA GLY A 460 10.767 -8.798 5.904 1.00 0.19 C ATOM 1878 C GLY A 460 11.067 -7.320 5.845 1.00 0.15 C ATOM 1879 O GLY A 460 11.458 -6.716 6.834 1.00 0.17 O ATOM 0 H GLY A 460 9.271 -8.698 4.457 1.00 0.15 H new ATOM 0 HA2 GLY A 460 10.148 -9.011 6.776 1.00 0.19 H new ATOM 0 HA3 GLY A 460 11.696 -9.355 6.029 1.00 0.19 H new ATOM 1883 N THR A 461 10.899 -6.744 4.667 1.00 0.12 N ATOM 1884 CA THR A 461 10.972 -5.317 4.490 1.00 0.07 C ATOM 1885 C THR A 461 9.817 -4.680 5.242 1.00 0.08 C ATOM 1886 O THR A 461 8.784 -5.310 5.443 1.00 0.13 O ATOM 1887 CB THR A 461 10.911 -4.984 2.976 1.00 0.06 C ATOM 1888 OG1 THR A 461 12.149 -5.327 2.337 1.00 0.08 O ATOM 1889 CG2 THR A 461 10.585 -3.526 2.728 1.00 0.05 C ATOM 0 H THR A 461 10.708 -7.261 3.808 1.00 0.12 H new ATOM 0 HA THR A 461 11.909 -4.924 4.884 1.00 0.07 H new ATOM 0 HB THR A 461 10.106 -5.580 2.546 1.00 0.06 H new ATOM 0 HG1 THR A 461 12.381 -4.636 1.682 1.00 0.08 H new ATOM 0 HG21 THR A 461 10.553 -3.338 1.655 1.00 0.05 H new ATOM 0 HG22 THR A 461 9.616 -3.290 3.167 1.00 0.05 H new ATOM 0 HG23 THR A 461 11.352 -2.899 3.183 1.00 0.05 H new ATOM 1897 N PRO A 462 9.968 -3.458 5.731 1.00 0.09 N ATOM 1898 CA PRO A 462 8.913 -2.777 6.393 1.00 0.14 C ATOM 1899 C PRO A 462 8.167 -1.920 5.407 1.00 0.13 C ATOM 1900 O PRO A 462 8.653 -1.650 4.309 1.00 0.18 O ATOM 1901 CB PRO A 462 9.654 -1.921 7.429 1.00 0.18 C ATOM 1902 CG PRO A 462 11.107 -2.078 7.097 1.00 0.13 C ATOM 1903 CD PRO A 462 11.145 -2.609 5.715 1.00 0.09 C ATOM 0 HA PRO A 462 8.172 -3.435 6.847 1.00 0.14 H new ATOM 0 HB2 PRO A 462 9.347 -0.877 7.370 1.00 0.18 H new ATOM 0 HB3 PRO A 462 9.443 -2.259 8.444 1.00 0.18 H new ATOM 0 HG2 PRO A 462 11.630 -1.124 7.165 1.00 0.13 H new ATOM 0 HG3 PRO A 462 11.596 -2.760 7.792 1.00 0.13 H new ATOM 0 HD2 PRO A 462 11.079 -1.821 4.965 1.00 0.09 H new ATOM 0 HD3 PRO A 462 12.058 -3.168 5.510 1.00 0.09 H new ATOM 1911 N VAL A 463 7.000 -1.499 5.768 1.00 0.09 N ATOM 1912 CA VAL A 463 6.319 -0.520 4.973 1.00 0.09 C ATOM 1913 C VAL A 463 5.974 0.623 5.871 1.00 0.08 C ATOM 1914 O VAL A 463 5.854 0.470 7.083 1.00 0.10 O ATOM 1915 CB VAL A 463 5.028 -1.023 4.309 1.00 0.19 C ATOM 1916 CG1 VAL A 463 5.228 -2.392 3.691 1.00 0.57 C ATOM 1917 CG2 VAL A 463 3.912 -1.018 5.320 1.00 0.54 C ATOM 0 H VAL A 463 6.498 -1.811 6.599 1.00 0.09 H new ATOM 0 HA VAL A 463 6.989 -0.244 4.159 1.00 0.09 H new ATOM 0 HB VAL A 463 4.757 -0.352 3.494 1.00 0.19 H new ATOM 0 HG11 VAL A 463 4.298 -2.722 3.229 1.00 0.57 H new ATOM 0 HG12 VAL A 463 6.010 -2.339 2.934 1.00 0.57 H new ATOM 0 HG13 VAL A 463 5.520 -3.102 4.465 1.00 0.57 H new ATOM 0 HG21 VAL A 463 2.995 -1.375 4.851 1.00 0.54 H new ATOM 0 HG22 VAL A 463 4.172 -1.672 6.152 1.00 0.54 H new ATOM 0 HG23 VAL A 463 3.760 -0.004 5.689 1.00 0.54 H new ATOM 1927 N LEU A 464 5.872 1.761 5.308 1.00 0.07 N ATOM 1928 CA LEU A 464 5.442 2.886 6.033 1.00 0.07 C ATOM 1929 C LEU A 464 4.418 3.579 5.236 1.00 0.07 C ATOM 1930 O LEU A 464 4.356 3.428 4.028 1.00 0.09 O ATOM 1931 CB LEU A 464 6.617 3.789 6.325 1.00 0.10 C ATOM 1932 CG LEU A 464 7.551 3.238 7.348 1.00 0.10 C ATOM 1933 CD1 LEU A 464 8.627 2.463 6.675 1.00 0.09 C ATOM 1934 CD2 LEU A 464 8.113 4.364 8.163 1.00 0.13 C ATOM 0 H LEU A 464 6.085 1.940 4.327 1.00 0.07 H new ATOM 0 HA LEU A 464 5.013 2.589 6.990 1.00 0.07 H new ATOM 0 HB2 LEU A 464 7.167 3.967 5.401 1.00 0.10 H new ATOM 0 HB3 LEU A 464 6.246 4.756 6.666 1.00 0.10 H new ATOM 0 HG LEU A 464 7.019 2.563 8.018 1.00 0.10 H new ATOM 0 HD11 LEU A 464 9.309 2.061 7.424 1.00 0.09 H new ATOM 0 HD12 LEU A 464 8.185 1.643 6.109 1.00 0.09 H new ATOM 0 HD13 LEU A 464 9.177 3.116 5.998 1.00 0.09 H new ATOM 0 HD21 LEU A 464 8.797 3.965 8.912 1.00 0.13 H new ATOM 0 HD22 LEU A 464 8.651 5.052 7.511 1.00 0.13 H new ATOM 0 HD23 LEU A 464 7.301 4.895 8.659 1.00 0.13 H new ATOM 1946 N VAL A 465 3.542 4.200 5.941 1.00 0.06 N ATOM 1947 CA VAL A 465 2.683 5.189 5.390 1.00 0.05 C ATOM 1948 C VAL A 465 2.619 6.246 6.457 1.00 0.08 C ATOM 1949 O VAL A 465 2.640 5.891 7.618 1.00 0.10 O ATOM 1950 CB VAL A 465 1.287 4.620 5.014 1.00 0.07 C ATOM 1951 CG1 VAL A 465 1.365 3.137 4.720 1.00 0.09 C ATOM 1952 CG2 VAL A 465 0.280 4.899 6.069 1.00 0.08 C ATOM 0 H VAL A 465 3.398 4.033 6.937 1.00 0.06 H new ATOM 0 HA VAL A 465 3.055 5.586 4.445 1.00 0.05 H new ATOM 0 HB VAL A 465 0.962 5.129 4.107 1.00 0.07 H new ATOM 0 HG11 VAL A 465 0.374 2.765 4.460 1.00 0.09 H new ATOM 0 HG12 VAL A 465 2.047 2.967 3.887 1.00 0.09 H new ATOM 0 HG13 VAL A 465 1.730 2.610 5.601 1.00 0.09 H new ATOM 0 HG21 VAL A 465 -0.684 4.486 5.771 1.00 0.08 H new ATOM 0 HG22 VAL A 465 0.597 4.440 7.005 1.00 0.08 H new ATOM 0 HG23 VAL A 465 0.186 5.976 6.207 1.00 0.08 H new ATOM 1962 N PHE A 466 2.667 7.508 6.075 1.00 0.10 N ATOM 1963 CA PHE A 466 2.657 8.625 7.013 1.00 0.15 C ATOM 1964 C PHE A 466 2.818 9.946 6.278 1.00 0.21 C ATOM 1965 O PHE A 466 3.950 10.460 6.179 1.00 1.09 O ATOM 1966 CB PHE A 466 3.704 8.462 8.149 1.00 0.17 C ATOM 1967 CG PHE A 466 5.163 8.358 7.743 1.00 0.20 C ATOM 1968 CD1 PHE A 466 5.618 7.293 6.977 1.00 0.14 C ATOM 1969 CD2 PHE A 466 6.065 9.329 8.113 1.00 0.36 C ATOM 1970 CE1 PHE A 466 6.954 7.204 6.603 1.00 0.20 C ATOM 1971 CE2 PHE A 466 7.414 9.240 7.738 1.00 0.41 C ATOM 1972 CZ PHE A 466 7.846 8.149 6.994 1.00 0.30 C ATOM 1973 OXT PHE A 466 1.785 10.469 5.809 1.00 1.06 O ATOM 0 H PHE A 466 2.715 7.794 5.097 1.00 0.10 H new ATOM 0 HA PHE A 466 1.683 8.627 7.502 1.00 0.15 H new ATOM 0 HB2 PHE A 466 3.602 9.310 8.826 1.00 0.17 H new ATOM 0 HB3 PHE A 466 3.448 7.568 8.718 1.00 0.17 H new ATOM 0 HD1 PHE A 466 4.925 6.524 6.668 1.00 0.14 H new ATOM 0 HD2 PHE A 466 5.730 10.171 8.700 1.00 0.36 H new ATOM 0 HE1 PHE A 466 7.285 6.375 5.995 1.00 0.20 H new ATOM 0 HE2 PHE A 466 8.111 10.013 8.025 1.00 0.41 H new ATOM 0 HZ PHE A 466 8.888 8.053 6.728 1.00 0.30 H new