USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 597 hydrogens (8 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 NoAdj-H: A 363 PTR HN2 : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 363 PTR H : A 363 PTR N : A 362 LEU C :(H bumps) USER MOD NoAdj-H: A 390 HIS HD1 : A 390 HIS ND1 : A1388 ZNZN :(H bumps) USER MOD Set 1.1: A 369 THR OG1 : rot 180:sc= -0.0369 USER MOD Set 1.2: A 371 GLN : amide:sc= -7.77! C(o=-7.8!,f=-7.6!) USER MOD Single : A 347 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.27) USER MOD Single : A 348 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 350 SER OG : rot -71:sc= 1.28 USER MOD Single : A 352 HIS : no HE2:sc= -2.18! C(o=-2.2!,f=-2.6!) USER MOD Single : A 354 LYS NZ :NH3+ -160:sc= -0.0173 (180deg=-0.205) USER MOD Single : A 356 THR OG1 : rot 180:sc= -0.557 USER MOD Single : A 357 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.1) USER MOD Single : A 359 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.1) USER MOD Single : A 360 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 CYS SG : rot 52:sc= 0.0632 USER MOD Single : A 366 MET CE :methyl 146:sc= -0.628 (180deg=-2.57!) USER MOD Single : A 368 SER OG : rot 180:sc= 0 USER MOD Single : A 374 LYS NZ :NH3+ 158:sc= -6.28! (180deg=-8.43!) USER MOD Single : A 379 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.6!) USER MOD Single : A 381 LYS NZ :NH3+ 140:sc= -1.35 (180deg=-3.23!) USER MOD Single : A 384 LYS NZ :NH3+ -167:sc= 0.00557 (180deg=0.00156) USER MOD Single : A 392 MET CE :methyl 150:sc= -4.82! (180deg=-8.91!) USER MOD Single : A 394 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 395 SER OG : rot 180:sc= 0 USER MOD Single : A 398 THR OG1 : rot 77:sc= 0.0345 USER MOD Single : A 401 GLN : amide:sc= -2.64! C(o=-2.6!,f=-4.8!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 406 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 413 CYS SG : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 THR OG1 : rot 41:sc= 0.295 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 6.793 16.077 -9.981 1.00 43.00 N ATOM 2 CA GLY A 345 6.675 17.276 -9.169 1.00 3.03 C ATOM 3 C GLY A 345 6.079 16.953 -7.797 1.00 71.33 C ATOM 4 O GLY A 345 6.811 16.752 -6.830 1.00 22.33 O ATOM 0 HA2 GLY A 345 7.657 17.733 -9.044 1.00 3.03 H new ATOM 0 HA3 GLY A 345 6.046 18.005 -9.680 1.00 3.03 H new ATOM 8 N PRO A 346 4.720 16.911 -7.757 1.00 2.44 N ATOM 9 CA PRO A 346 4.017 16.616 -6.520 1.00 21.11 C ATOM 10 C PRO A 346 4.107 15.127 -6.180 1.00 70.33 C ATOM 11 O PRO A 346 4.688 14.348 -6.935 1.00 53.31 O ATOM 12 CB PRO A 346 2.591 17.086 -6.756 1.00 2.41 C ATOM 13 CG PRO A 346 2.433 17.199 -8.264 1.00 24.54 C ATOM 14 CD PRO A 346 3.821 17.144 -8.883 1.00 15.14 C ATOM 0 HA PRO A 346 4.452 17.122 -5.658 1.00 21.11 H new ATOM 0 HB2 PRO A 346 1.873 16.379 -6.340 1.00 2.41 H new ATOM 0 HB3 PRO A 346 2.411 18.046 -6.271 1.00 2.41 H new ATOM 0 HG2 PRO A 346 1.813 16.388 -8.645 1.00 24.54 H new ATOM 0 HG3 PRO A 346 1.934 18.132 -8.527 1.00 24.54 H new ATOM 0 HD2 PRO A 346 3.894 16.345 -9.620 1.00 15.14 H new ATOM 0 HD3 PRO A 346 4.063 18.074 -9.397 1.00 15.14 H new ATOM 22 N HIS A 347 3.523 14.775 -5.044 1.00 3.40 N ATOM 23 CA HIS A 347 3.530 13.393 -4.595 1.00 40.33 C ATOM 24 C HIS A 347 2.183 12.743 -4.917 1.00 20.22 C ATOM 25 O HIS A 347 1.151 13.412 -4.919 1.00 41.25 O ATOM 26 CB HIS A 347 3.892 13.306 -3.111 1.00 74.23 C ATOM 27 CG HIS A 347 3.210 14.343 -2.251 1.00 30.11 C ATOM 28 ND1 HIS A 347 1.838 14.389 -2.078 1.00 54.43 N ATOM 29 CD2 HIS A 347 3.726 15.370 -1.516 1.00 55.14 C ATOM 30 CE1 HIS A 347 1.551 15.403 -1.275 1.00 42.31 C ATOM 31 NE2 HIS A 347 2.722 16.010 -0.928 1.00 45.24 N ATOM 0 H HIS A 347 3.042 15.423 -4.421 1.00 3.40 H new ATOM 0 HA HIS A 347 4.300 12.836 -5.129 1.00 40.33 H new ATOM 0 HB2 HIS A 347 3.632 12.314 -2.742 1.00 74.23 H new ATOM 0 HB3 HIS A 347 4.971 13.413 -3.004 1.00 74.23 H new ATOM 0 HD2 HIS A 347 4.773 15.620 -1.427 1.00 55.14 H new ATOM 0 HE1 HIS A 347 0.563 15.697 -0.952 1.00 42.31 H new ATOM 0 HE2 HIS A 347 2.812 16.822 -0.317 1.00 45.24 H new ATOM 39 N MET A 348 2.237 11.445 -5.180 1.00 53.51 N ATOM 40 CA MET A 348 1.034 10.697 -5.502 1.00 73.22 C ATOM 41 C MET A 348 0.833 9.535 -4.527 1.00 2.00 C ATOM 42 O MET A 348 -0.117 8.765 -4.660 1.00 1.21 O ATOM 43 CB MET A 348 1.137 10.154 -6.929 1.00 13.01 C ATOM 44 CG MET A 348 2.195 9.053 -7.021 1.00 71.34 C ATOM 45 SD MET A 348 1.465 7.471 -6.634 1.00 31.33 S ATOM 46 CE MET A 348 1.000 6.934 -8.271 1.00 51.25 C ATOM 0 H MET A 348 3.095 10.893 -5.177 1.00 53.51 H new ATOM 0 HA MET A 348 0.179 11.368 -5.420 1.00 73.22 H new ATOM 0 HB2 MET A 348 0.170 9.761 -7.243 1.00 13.01 H new ATOM 0 HB3 MET A 348 1.390 10.964 -7.613 1.00 13.01 H new ATOM 0 HG2 MET A 348 2.622 9.030 -8.024 1.00 71.34 H new ATOM 0 HG3 MET A 348 3.012 9.264 -6.331 1.00 71.34 H new ATOM 0 HE1 MET A 348 0.526 5.954 -8.212 1.00 51.25 H new ATOM 0 HE2 MET A 348 0.301 7.650 -8.704 1.00 51.25 H new ATOM 0 HE3 MET A 348 1.889 6.869 -8.899 1.00 51.25 H new ATOM 56 N GLY A 349 1.744 9.445 -3.569 1.00 14.04 N ATOM 57 CA GLY A 349 1.679 8.390 -2.571 1.00 52.15 C ATOM 58 C GLY A 349 0.959 8.872 -1.310 1.00 25.42 C ATOM 59 O GLY A 349 1.168 8.328 -0.226 1.00 44.32 O ATOM 0 H GLY A 349 2.531 10.085 -3.463 1.00 14.04 H new ATOM 0 HA2 GLY A 349 1.158 7.526 -2.984 1.00 52.15 H new ATOM 0 HA3 GLY A 349 2.687 8.063 -2.316 1.00 52.15 H new ATOM 63 N SER A 350 0.127 9.886 -1.493 1.00 1.14 N ATOM 64 CA SER A 350 -0.624 10.447 -0.382 1.00 73.15 C ATOM 65 C SER A 350 -2.020 10.862 -0.852 1.00 33.51 C ATOM 66 O SER A 350 -2.170 11.455 -1.919 1.00 5.22 O ATOM 67 CB SER A 350 0.107 11.643 0.229 1.00 42.50 C ATOM 68 OG SER A 350 1.123 11.238 1.143 1.00 53.21 O ATOM 0 H SER A 350 -0.044 10.334 -2.393 1.00 1.14 H new ATOM 0 HA SER A 350 -0.719 9.682 0.388 1.00 73.15 H new ATOM 0 HB2 SER A 350 0.552 12.241 -0.566 1.00 42.50 H new ATOM 0 HB3 SER A 350 -0.610 12.282 0.744 1.00 42.50 H new ATOM 0 HG SER A 350 0.708 10.881 1.956 1.00 53.21 H new ATOM 74 N ASP A 351 -3.007 10.532 -0.032 1.00 14.31 N ATOM 75 CA ASP A 351 -4.386 10.863 -0.350 1.00 12.03 C ATOM 76 C ASP A 351 -4.725 12.235 0.237 1.00 72.13 C ATOM 77 O ASP A 351 -3.881 12.871 0.866 1.00 32.45 O ATOM 78 CB ASP A 351 -5.351 9.840 0.253 1.00 61.11 C ATOM 79 CG ASP A 351 -5.246 8.430 -0.332 1.00 33.11 C ATOM 80 OD1 ASP A 351 -4.224 8.060 -0.927 1.00 65.33 O ATOM 81 OD2 ASP A 351 -6.286 7.687 -0.154 1.00 10.32 O ATOM 0 H ASP A 351 -2.879 10.039 0.852 1.00 14.31 H new ATOM 0 HA ASP A 351 -4.491 10.863 -1.435 1.00 12.03 H new ATOM 0 HB2 ASP A 351 -5.175 9.786 1.327 1.00 61.11 H new ATOM 0 HB3 ASP A 351 -6.371 10.199 0.115 1.00 61.11 H new ATOM 87 N HIS A 352 -5.962 12.651 0.009 1.00 53.12 N ATOM 88 CA HIS A 352 -6.423 13.936 0.507 1.00 73.03 C ATOM 89 C HIS A 352 -7.843 13.793 1.059 1.00 22.12 C ATOM 90 O HIS A 352 -8.613 12.955 0.593 1.00 61.21 O ATOM 91 CB HIS A 352 -6.315 15.010 -0.578 1.00 24.50 C ATOM 92 CG HIS A 352 -4.920 15.558 -0.761 1.00 43.43 C ATOM 93 ND1 HIS A 352 -4.295 16.351 0.186 1.00 34.22 N ATOM 94 CD2 HIS A 352 -4.036 15.420 -1.791 1.00 24.14 C ATOM 95 CE1 HIS A 352 -3.091 16.670 -0.264 1.00 22.04 C ATOM 96 NE2 HIS A 352 -2.932 16.093 -1.489 1.00 61.41 N ATOM 0 H HIS A 352 -6.659 12.121 -0.514 1.00 53.12 H new ATOM 0 HA HIS A 352 -5.783 14.263 1.326 1.00 73.03 H new ATOM 0 HB2 HIS A 352 -6.657 14.592 -1.525 1.00 24.50 H new ATOM 0 HB3 HIS A 352 -6.988 15.831 -0.331 1.00 24.50 H new ATOM 0 HD1 HIS A 352 -4.694 16.641 1.079 1.00 34.22 H new ATOM 0 HD2 HIS A 352 -4.205 14.859 -2.698 1.00 24.14 H new ATOM 0 HE1 HIS A 352 -2.363 17.280 0.249 1.00 22.04 H new ATOM 104 N ILE A 353 -8.146 14.624 2.045 1.00 0.14 N ATOM 105 CA ILE A 353 -9.459 14.601 2.667 1.00 74.14 C ATOM 106 C ILE A 353 -9.951 16.036 2.863 1.00 10.35 C ATOM 107 O ILE A 353 -9.150 16.968 2.925 1.00 20.34 O ATOM 108 CB ILE A 353 -9.427 13.779 3.957 1.00 53.40 C ATOM 109 CG1 ILE A 353 -9.262 12.289 3.654 1.00 24.10 C ATOM 110 CG2 ILE A 353 -10.664 14.056 4.814 1.00 11.20 C ATOM 111 CD1 ILE A 353 -9.416 11.451 4.925 1.00 73.44 C ATOM 0 H ILE A 353 -7.505 15.318 2.429 1.00 0.14 H new ATOM 0 HA ILE A 353 -10.179 14.103 2.018 1.00 74.14 H new ATOM 0 HB ILE A 353 -8.557 14.088 4.537 1.00 53.40 H new ATOM 0 HG12 ILE A 353 -10.004 11.980 2.918 1.00 24.10 H new ATOM 0 HG13 ILE A 353 -8.281 12.110 3.213 1.00 24.10 H new ATOM 0 HG21 ILE A 353 -10.617 13.459 5.725 1.00 11.20 H new ATOM 0 HG22 ILE A 353 -10.697 15.114 5.074 1.00 11.20 H new ATOM 0 HG23 ILE A 353 -11.561 13.792 4.254 1.00 11.20 H new ATOM 0 HD11 ILE A 353 -9.294 10.395 4.682 1.00 73.44 H new ATOM 0 HD12 ILE A 353 -8.657 11.746 5.650 1.00 73.44 H new ATOM 0 HD13 ILE A 353 -10.406 11.613 5.350 1.00 73.44 H new ATOM 123 N LYS A 354 -11.266 16.170 2.956 1.00 1.04 N ATOM 124 CA LYS A 354 -11.874 17.476 3.145 1.00 41.20 C ATOM 125 C LYS A 354 -12.624 17.497 4.478 1.00 11.13 C ATOM 126 O LYS A 354 -13.077 16.458 4.956 1.00 55.11 O ATOM 127 CB LYS A 354 -12.747 17.839 1.942 1.00 11.43 C ATOM 128 CG LYS A 354 -12.944 19.354 1.845 1.00 62.41 C ATOM 129 CD LYS A 354 -11.598 20.077 1.758 1.00 33.23 C ATOM 130 CE LYS A 354 -11.748 21.431 1.062 1.00 4.12 C ATOM 131 NZ LYS A 354 -11.957 21.246 -0.391 1.00 41.53 N ATOM 0 H LYS A 354 -11.927 15.395 2.904 1.00 1.04 H new ATOM 0 HA LYS A 354 -11.107 18.249 3.199 1.00 41.20 H new ATOM 0 HB2 LYS A 354 -12.284 17.470 1.027 1.00 11.43 H new ATOM 0 HB3 LYS A 354 -13.716 17.347 2.030 1.00 11.43 H new ATOM 0 HG2 LYS A 354 -13.546 19.591 0.967 1.00 62.41 H new ATOM 0 HG3 LYS A 354 -13.496 19.709 2.715 1.00 62.41 H new ATOM 0 HD2 LYS A 354 -11.193 20.222 2.760 1.00 33.23 H new ATOM 0 HD3 LYS A 354 -10.884 19.460 1.212 1.00 33.23 H new ATOM 0 HE2 LYS A 354 -12.590 21.975 1.490 1.00 4.12 H new ATOM 0 HE3 LYS A 354 -10.857 22.035 1.233 1.00 4.12 H new ATOM 0 HZ1 LYS A 354 -11.722 22.127 -0.890 1.00 41.53 H new ATOM 0 HZ2 LYS A 354 -11.344 20.479 -0.735 1.00 41.53 H new ATOM 0 HZ3 LYS A 354 -12.952 21.001 -0.570 1.00 41.53 H new ATOM 144 N VAL A 355 -12.732 18.691 5.042 1.00 43.44 N ATOM 145 CA VAL A 355 -13.419 18.861 6.310 1.00 11.34 C ATOM 146 C VAL A 355 -14.743 19.591 6.075 1.00 73.55 C ATOM 147 O VAL A 355 -14.898 20.297 5.080 1.00 53.14 O ATOM 148 CB VAL A 355 -12.509 19.582 7.306 1.00 4.44 C ATOM 149 CG1 VAL A 355 -13.308 20.100 8.504 1.00 4.01 C ATOM 150 CG2 VAL A 355 -11.365 18.673 7.761 1.00 11.44 C ATOM 0 H VAL A 355 -12.355 19.551 4.643 1.00 43.44 H new ATOM 0 HA VAL A 355 -13.655 17.891 6.748 1.00 11.34 H new ATOM 0 HB VAL A 355 -12.072 20.442 6.798 1.00 4.44 H new ATOM 0 HG11 VAL A 355 -12.637 20.608 9.196 1.00 4.01 H new ATOM 0 HG12 VAL A 355 -14.070 20.799 8.158 1.00 4.01 H new ATOM 0 HG13 VAL A 355 -13.787 19.263 9.012 1.00 4.01 H new ATOM 0 HG21 VAL A 355 -10.733 19.210 8.468 1.00 11.44 H new ATOM 0 HG22 VAL A 355 -11.775 17.785 8.242 1.00 11.44 H new ATOM 0 HG23 VAL A 355 -10.771 18.376 6.897 1.00 11.44 H new ATOM 160 N THR A 356 -15.664 19.394 7.006 1.00 14.13 N ATOM 161 CA THR A 356 -16.970 20.024 6.912 1.00 13.33 C ATOM 162 C THR A 356 -17.244 20.872 8.156 1.00 33.33 C ATOM 163 O THR A 356 -16.715 20.593 9.231 1.00 63.32 O ATOM 164 CB THR A 356 -18.010 18.925 6.685 1.00 52.44 C ATOM 165 OG1 THR A 356 -17.656 17.912 7.622 1.00 42.31 O ATOM 166 CG2 THR A 356 -17.854 18.245 5.323 1.00 32.42 C ATOM 0 H THR A 356 -15.532 18.807 7.830 1.00 14.13 H new ATOM 0 HA THR A 356 -17.016 20.714 6.070 1.00 13.33 H new ATOM 0 HB THR A 356 -19.011 19.350 6.767 1.00 52.44 H new ATOM 0 HG1 THR A 356 -18.281 17.161 7.544 1.00 42.31 H new ATOM 0 HG21 THR A 356 -18.616 17.473 5.212 1.00 32.42 H new ATOM 0 HG22 THR A 356 -17.969 18.985 4.531 1.00 32.42 H new ATOM 0 HG23 THR A 356 -16.865 17.791 5.254 1.00 32.42 H new ATOM 174 N GLN A 357 -18.071 21.890 7.969 1.00 32.22 N ATOM 175 CA GLN A 357 -18.422 22.780 9.063 1.00 60.22 C ATOM 176 C GLN A 357 -18.766 21.972 10.316 1.00 71.45 C ATOM 177 O GLN A 357 -18.201 22.204 11.383 1.00 14.22 O ATOM 178 CB GLN A 357 -19.578 23.702 8.670 1.00 33.43 C ATOM 179 CG GLN A 357 -19.060 24.980 8.009 1.00 10.55 C ATOM 180 CD GLN A 357 -18.867 26.092 9.043 1.00 55.32 C ATOM 181 OE1 GLN A 357 -17.809 26.686 9.164 1.00 44.34 O ATOM 182 NE2 GLN A 357 -19.947 26.340 9.779 1.00 72.31 N ATOM 0 H GLN A 357 -18.508 22.118 7.076 1.00 32.22 H new ATOM 0 HA GLN A 357 -17.559 23.408 9.286 1.00 60.22 H new ATOM 0 HB2 GLN A 357 -20.247 23.180 7.986 1.00 33.43 H new ATOM 0 HB3 GLN A 357 -20.161 23.957 9.555 1.00 33.43 H new ATOM 0 HG2 GLN A 357 -18.114 24.777 7.507 1.00 10.55 H new ATOM 0 HG3 GLN A 357 -19.763 25.308 7.243 1.00 10.55 H new ATOM 0 HE21 GLN A 357 -20.802 25.805 9.626 1.00 72.31 H new ATOM 0 HE22 GLN A 357 -19.920 27.065 10.496 1.00 72.31 H new ATOM 191 N GLU A 358 -19.691 21.039 10.143 1.00 22.54 N ATOM 192 CA GLU A 358 -20.117 20.195 11.247 1.00 61.52 C ATOM 193 C GLU A 358 -18.905 19.723 12.053 1.00 10.22 C ATOM 194 O GLU A 358 -18.953 19.675 13.281 1.00 2.13 O ATOM 195 CB GLU A 358 -20.936 19.005 10.743 1.00 72.14 C ATOM 196 CG GLU A 358 -20.146 18.191 9.716 1.00 73.04 C ATOM 197 CD GLU A 358 -21.084 17.364 8.833 1.00 24.24 C ATOM 198 OE1 GLU A 358 -22.131 17.867 8.399 1.00 22.45 O ATOM 199 OE2 GLU A 358 -20.691 16.157 8.601 1.00 4.35 O ATOM 0 H GLU A 358 -20.157 20.849 9.256 1.00 22.54 H new ATOM 0 HA GLU A 358 -20.758 20.784 11.902 1.00 61.52 H new ATOM 0 HB2 GLU A 358 -21.212 18.367 11.583 1.00 72.14 H new ATOM 0 HB3 GLU A 358 -21.863 19.361 10.294 1.00 72.14 H new ATOM 0 HG2 GLU A 358 -19.552 18.861 9.094 1.00 73.04 H new ATOM 0 HG3 GLU A 358 -19.448 17.530 10.230 1.00 73.04 H new ATOM 207 N GLN A 359 -17.847 19.387 11.330 1.00 52.24 N ATOM 208 CA GLN A 359 -16.625 18.921 11.962 1.00 1.44 C ATOM 209 C GLN A 359 -15.927 20.076 12.683 1.00 2.42 C ATOM 210 O GLN A 359 -15.831 20.080 13.909 1.00 1.14 O ATOM 211 CB GLN A 359 -15.692 18.270 10.940 1.00 72.52 C ATOM 212 CG GLN A 359 -16.377 17.090 10.246 1.00 12.23 C ATOM 213 CD GLN A 359 -15.936 15.761 10.861 1.00 25.34 C ATOM 214 OE1 GLN A 359 -16.739 14.940 11.272 1.00 72.53 O ATOM 215 NE2 GLN A 359 -14.617 15.595 10.902 1.00 5.12 N ATOM 0 H GLN A 359 -17.811 19.428 10.311 1.00 52.24 H new ATOM 0 HA GLN A 359 -16.888 18.163 12.700 1.00 1.44 H new ATOM 0 HB2 GLN A 359 -15.389 19.008 10.197 1.00 72.52 H new ATOM 0 HB3 GLN A 359 -14.785 17.927 11.437 1.00 72.52 H new ATOM 0 HG2 GLN A 359 -17.459 17.192 10.330 1.00 12.23 H new ATOM 0 HG3 GLN A 359 -16.137 17.100 9.183 1.00 12.23 H new ATOM 0 HE21 GLN A 359 -14.000 16.322 10.541 1.00 5.12 H new ATOM 0 HE22 GLN A 359 -14.223 14.740 11.295 1.00 5.12 H new ATOM 224 N TYR A 360 -15.457 21.029 11.891 1.00 73.22 N ATOM 225 CA TYR A 360 -14.771 22.187 12.438 1.00 21.20 C ATOM 226 C TYR A 360 -15.525 22.752 13.644 1.00 43.05 C ATOM 227 O TYR A 360 -15.009 22.749 14.760 1.00 22.41 O ATOM 228 CB TYR A 360 -14.757 23.234 11.323 1.00 0.52 C ATOM 229 CG TYR A 360 -13.963 24.497 11.665 1.00 31.34 C ATOM 230 CD1 TYR A 360 -12.840 24.411 12.463 1.00 33.42 C ATOM 231 CD2 TYR A 360 -14.370 25.722 11.176 1.00 22.43 C ATOM 232 CE1 TYR A 360 -12.093 25.599 12.785 1.00 30.33 C ATOM 233 CE2 TYR A 360 -13.623 26.910 11.498 1.00 25.34 C ATOM 234 CZ TYR A 360 -12.521 26.790 12.287 1.00 31.41 C ATOM 235 OH TYR A 360 -11.815 27.912 12.591 1.00 34.43 O ATOM 0 H TYR A 360 -15.538 21.023 10.874 1.00 73.22 H new ATOM 0 HA TYR A 360 -13.769 21.918 12.771 1.00 21.20 H new ATOM 0 HB2 TYR A 360 -14.337 22.786 10.423 1.00 0.52 H new ATOM 0 HB3 TYR A 360 -15.784 23.515 11.089 1.00 0.52 H new ATOM 0 HD1 TYR A 360 -12.522 23.453 12.846 1.00 33.42 H new ATOM 0 HD2 TYR A 360 -15.249 25.789 10.552 1.00 22.43 H new ATOM 0 HE1 TYR A 360 -11.212 25.546 13.408 1.00 30.33 H new ATOM 0 HE2 TYR A 360 -13.930 27.875 11.122 1.00 25.34 H new ATOM 0 HH TYR A 360 -12.236 28.688 12.166 1.00 34.43 H new ATOM 245 N GLU A 361 -16.734 23.224 13.377 1.00 45.21 N ATOM 246 CA GLU A 361 -17.564 23.792 14.426 1.00 65.41 C ATOM 247 C GLU A 361 -17.539 22.895 15.666 1.00 41.24 C ATOM 248 O GLU A 361 -17.267 23.364 16.770 1.00 44.14 O ATOM 249 CB GLU A 361 -18.996 24.009 13.935 1.00 71.54 C ATOM 250 CG GLU A 361 -19.138 25.364 13.238 1.00 23.52 C ATOM 251 CD GLU A 361 -19.369 26.482 14.257 1.00 64.25 C ATOM 252 OE1 GLU A 361 -18.442 26.849 14.995 1.00 53.24 O ATOM 253 OE2 GLU A 361 -20.561 26.975 14.264 1.00 22.43 O ATOM 0 H GLU A 361 -17.159 23.225 12.450 1.00 45.21 H new ATOM 0 HA GLU A 361 -17.157 24.766 14.698 1.00 65.41 H new ATOM 0 HB2 GLU A 361 -19.273 23.211 13.246 1.00 71.54 H new ATOM 0 HB3 GLU A 361 -19.685 23.956 14.778 1.00 71.54 H new ATOM 0 HG2 GLU A 361 -18.239 25.575 12.658 1.00 23.52 H new ATOM 0 HG3 GLU A 361 -19.970 25.330 12.535 1.00 23.52 H new ATOM 261 N LEU A 362 -17.827 21.622 15.441 1.00 20.44 N ATOM 262 CA LEU A 362 -17.841 20.655 16.527 1.00 53.34 C ATOM 263 C LEU A 362 -16.494 20.687 17.250 1.00 5.51 C ATOM 264 O LEU A 362 -16.398 20.485 18.461 1.00 11.20 O ATOM 265 CB LEU A 362 -18.226 19.270 16.005 1.00 74.51 C ATOM 266 CG LEU A 362 -18.346 18.166 17.058 1.00 71.11 C ATOM 267 CD1 LEU A 362 -19.381 17.120 16.640 1.00 32.33 C ATOM 268 CD2 LEU A 362 -16.982 17.538 17.351 1.00 32.41 C ATOM 0 H LEU A 362 -18.052 21.237 14.524 1.00 20.44 H new ATOM 0 HA LEU A 362 -18.603 20.917 17.261 1.00 53.34 H new ATOM 0 HB2 LEU A 362 -19.179 19.352 15.483 1.00 74.51 H new ATOM 0 HB3 LEU A 362 -17.485 18.962 15.268 1.00 74.51 H new ATOM 0 HG LEU A 362 -18.700 18.615 17.986 1.00 71.11 H new ATOM 0 HD11 LEU A 362 -19.447 16.347 17.406 1.00 32.33 H new ATOM 0 HD12 LEU A 362 -20.354 17.597 16.522 1.00 32.33 H new ATOM 0 HD13 LEU A 362 -19.081 16.669 15.694 1.00 32.33 H new ATOM 0 HD21 LEU A 362 -17.095 16.757 18.102 1.00 32.41 H new ATOM 0 HD22 LEU A 362 -16.576 17.106 16.436 1.00 32.41 H new ATOM 0 HD23 LEU A 362 -16.301 18.304 17.723 1.00 32.41 H new HETATM 280 N PTR A 363 -15.446 20.948 16.475 1.00 41.42 N HETATM 281 CA PTR A 363 -14.093 21.012 17.015 1.00 52.31 C HETATM 282 C PTR A 363 -13.790 22.404 17.559 1.00 54.52 C HETATM 283 O PTR A 363 -12.850 22.555 18.337 1.00 12.44 O HETATM 284 CB PTR A 363 -13.074 20.641 15.936 1.00 24.43 C HETATM 285 CG PTR A 363 -12.941 19.151 15.715 1.00 21.43 C HETATM 286 CD1 PTR A 363 -11.693 18.540 15.701 1.00 71.14 C HETATM 287 CD2 PTR A 363 -14.064 18.355 15.522 1.00 5.43 C HETATM 288 CE1 PTR A 363 -11.568 17.179 15.499 1.00 74.02 C HETATM 289 CE2 PTR A 363 -13.947 16.994 15.321 1.00 64.34 C HETATM 290 CZ PTR A 363 -12.697 16.411 15.310 1.00 71.44 C HETATM 291 OH PTR A 363 -12.572 14.991 15.099 1.00 4.41 O HETATM 292 P PTR A 363 -11.738 14.073 16.156 1.00 54.41 P HETATM 293 O1P PTR A 363 -12.669 12.934 16.538 1.00 30.12 O HETATM 294 O2P PTR A 363 -11.408 14.986 17.327 1.00 71.34 O HETATM 295 O3P PTR A 363 -10.502 13.600 15.410 1.00 64.13 O HETATM 0 HE2 PTR A 363 -14.838 16.384 15.172 1.00 64.34 H new HETATM 0 HE1 PTR A 363 -10.582 16.715 15.489 1.00 74.02 H new HETATM 0 HD2 PTR A 363 -15.053 18.813 15.529 1.00 5.43 H new HETATM 0 HD1 PTR A 363 -10.798 19.144 15.852 1.00 71.14 H new HETATM 0 HB3 PTR A 363 -13.362 21.115 14.998 1.00 24.43 H new HETATM 0 HB2 PTR A 363 -12.101 21.047 16.212 1.00 24.43 H new HETATM 0 HA PTR A 363 -14.021 20.297 17.835 1.00 52.31 H new ATOM 304 N CYS A 364 -14.584 23.380 17.142 1.00 43.30 N ATOM 305 CA CYS A 364 -14.389 24.748 17.594 1.00 71.51 C ATOM 306 C CYS A 364 -14.696 24.807 19.092 1.00 61.34 C ATOM 307 O CYS A 364 -14.238 25.712 19.787 1.00 13.02 O ATOM 308 CB CYS A 364 -15.245 25.734 16.797 1.00 61.04 C ATOM 309 SG CYS A 364 -14.323 26.317 15.327 1.00 2.04 S ATOM 0 H CYS A 364 -15.363 23.251 16.496 1.00 43.30 H new ATOM 0 HA CYS A 364 -13.354 25.046 17.424 1.00 71.51 H new ATOM 0 HB2 CYS A 364 -16.174 25.255 16.487 1.00 61.04 H new ATOM 0 HB3 CYS A 364 -15.518 26.582 17.425 1.00 61.04 H new ATOM 0 HG CYS A 364 -13.867 25.294 14.667 1.00 2.04 H new ATOM 315 N GLU A 365 -15.468 23.830 19.544 1.00 74.11 N ATOM 316 CA GLU A 365 -15.842 23.760 20.946 1.00 24.55 C ATOM 317 C GLU A 365 -14.696 23.170 21.772 1.00 42.52 C ATOM 318 O GLU A 365 -14.793 23.073 22.994 1.00 21.31 O ATOM 319 CB GLU A 365 -17.125 22.948 21.132 1.00 21.42 C ATOM 320 CG GLU A 365 -18.352 23.755 20.704 1.00 43.40 C ATOM 321 CD GLU A 365 -18.867 24.622 21.855 1.00 21.31 C ATOM 322 OE1 GLU A 365 -20.083 24.680 22.091 1.00 2.01 O ATOM 323 OE2 GLU A 365 -17.954 25.248 22.517 1.00 42.10 O ATOM 0 H GLU A 365 -15.845 23.080 18.964 1.00 74.11 H new ATOM 0 HA GLU A 365 -16.037 24.772 21.300 1.00 24.55 H new ATOM 0 HB2 GLU A 365 -17.067 22.030 20.547 1.00 21.42 H new ATOM 0 HB3 GLU A 365 -17.225 22.654 22.177 1.00 21.42 H new ATOM 0 HG2 GLU A 365 -18.097 24.387 19.854 1.00 43.40 H new ATOM 0 HG3 GLU A 365 -19.140 23.078 20.373 1.00 43.40 H new ATOM 331 N MET A 366 -13.637 22.793 21.070 1.00 1.35 N ATOM 332 CA MET A 366 -12.474 22.216 21.723 1.00 2.51 C ATOM 333 C MET A 366 -11.298 23.195 21.713 1.00 44.04 C ATOM 334 O MET A 366 -10.512 23.237 22.658 1.00 14.55 O ATOM 335 CB MET A 366 -12.072 20.927 21.004 1.00 1.21 C ATOM 336 CG MET A 366 -13.305 20.168 20.509 1.00 42.42 C ATOM 337 SD MET A 366 -14.336 19.710 21.892 1.00 64.51 S ATOM 338 CE MET A 366 -15.795 19.161 21.022 1.00 0.45 C ATOM 0 H MET A 366 -13.560 22.876 20.056 1.00 1.35 H new ATOM 0 HA MET A 366 -12.733 21.999 22.759 1.00 2.51 H new ATOM 0 HB2 MET A 366 -11.423 21.164 20.161 1.00 1.21 H new ATOM 0 HB3 MET A 366 -11.497 20.293 21.680 1.00 1.21 H new ATOM 0 HG2 MET A 366 -13.870 20.789 19.814 1.00 42.42 H new ATOM 0 HG3 MET A 366 -12.998 19.276 19.963 1.00 42.42 H new ATOM 0 HE1 MET A 366 -16.257 18.340 21.569 1.00 0.45 H new ATOM 0 HE2 MET A 366 -16.502 19.986 20.941 1.00 0.45 H new ATOM 0 HE3 MET A 366 -15.517 18.821 20.024 1.00 0.45 H new ATOM 348 N GLY A 367 -11.213 23.957 20.632 1.00 11.43 N ATOM 349 CA GLY A 367 -10.146 24.933 20.486 1.00 20.32 C ATOM 350 C GLY A 367 -9.091 24.446 19.491 1.00 63.00 C ATOM 351 O GLY A 367 -8.066 25.099 19.299 1.00 60.44 O ATOM 0 H GLY A 367 -11.866 23.918 19.849 1.00 11.43 H new ATOM 0 HA2 GLY A 367 -10.560 25.882 20.147 1.00 20.32 H new ATOM 0 HA3 GLY A 367 -9.681 25.116 21.455 1.00 20.32 H new ATOM 355 N SER A 368 -9.378 23.303 18.885 1.00 44.43 N ATOM 356 CA SER A 368 -8.466 22.722 17.914 1.00 31.42 C ATOM 357 C SER A 368 -9.214 22.407 16.617 1.00 31.41 C ATOM 358 O SER A 368 -10.399 22.713 16.489 1.00 24.44 O ATOM 359 CB SER A 368 -7.807 21.457 18.467 1.00 24.32 C ATOM 360 OG SER A 368 -7.555 21.554 19.866 1.00 4.14 O ATOM 0 H SER A 368 -10.229 22.764 19.047 1.00 44.43 H new ATOM 0 HA SER A 368 -7.680 23.448 17.705 1.00 31.42 H new ATOM 0 HB2 SER A 368 -8.450 20.599 18.273 1.00 24.32 H new ATOM 0 HB3 SER A 368 -6.869 21.277 17.941 1.00 24.32 H new ATOM 0 HG SER A 368 -7.136 20.726 20.181 1.00 4.14 H new ATOM 366 N THR A 369 -8.491 21.799 15.688 1.00 75.04 N ATOM 367 CA THR A 369 -9.072 21.439 14.405 1.00 42.10 C ATOM 368 C THR A 369 -9.121 19.918 14.250 1.00 70.11 C ATOM 369 O THR A 369 -8.713 19.185 15.150 1.00 53.12 O ATOM 370 CB THR A 369 -8.264 22.136 13.308 1.00 21.14 C ATOM 371 OG1 THR A 369 -7.063 21.374 13.225 1.00 62.23 O ATOM 372 CG2 THR A 369 -7.792 23.530 13.725 1.00 11.51 C ATOM 0 H THR A 369 -7.509 21.547 15.798 1.00 75.04 H new ATOM 0 HA THR A 369 -10.106 21.775 14.331 1.00 42.10 H new ATOM 0 HB THR A 369 -8.869 22.213 12.405 1.00 21.14 H new ATOM 0 HG1 THR A 369 -6.480 21.756 12.536 1.00 62.23 H new ATOM 0 HG21 THR A 369 -7.224 23.980 12.911 1.00 11.51 H new ATOM 0 HG22 THR A 369 -8.656 24.154 13.953 1.00 11.51 H new ATOM 0 HG23 THR A 369 -7.159 23.451 14.609 1.00 11.51 H new ATOM 380 N PHE A 370 -9.624 19.488 13.102 1.00 43.11 N ATOM 381 CA PHE A 370 -9.732 18.067 12.817 1.00 5.33 C ATOM 382 C PHE A 370 -8.379 17.488 12.397 1.00 11.11 C ATOM 383 O PHE A 370 -7.793 16.684 13.120 1.00 44.01 O ATOM 384 CB PHE A 370 -10.719 17.917 11.659 1.00 75.11 C ATOM 385 CG PHE A 370 -10.839 16.488 11.124 1.00 4.31 C ATOM 386 CD1 PHE A 370 -11.391 15.516 11.899 1.00 43.24 C ATOM 387 CD2 PHE A 370 -10.392 16.191 9.874 1.00 33.44 C ATOM 388 CE1 PHE A 370 -11.501 14.190 11.402 1.00 12.43 C ATOM 389 CE2 PHE A 370 -10.503 14.865 9.378 1.00 22.31 C ATOM 390 CZ PHE A 370 -11.055 13.893 10.153 1.00 61.44 C ATOM 0 H PHE A 370 -9.961 20.099 12.358 1.00 43.11 H new ATOM 0 HA PHE A 370 -10.065 17.533 13.707 1.00 5.33 H new ATOM 0 HB2 PHE A 370 -11.702 18.255 11.987 1.00 75.11 H new ATOM 0 HB3 PHE A 370 -10.411 18.574 10.845 1.00 75.11 H new ATOM 0 HD1 PHE A 370 -11.745 15.752 12.891 1.00 43.24 H new ATOM 0 HD2 PHE A 370 -9.953 16.963 9.259 1.00 33.44 H new ATOM 0 HE1 PHE A 370 -11.939 13.418 12.017 1.00 12.43 H new ATOM 0 HE2 PHE A 370 -10.149 14.628 8.385 1.00 22.31 H new ATOM 0 HZ PHE A 370 -11.139 12.885 9.776 1.00 61.44 H new ATOM 400 N GLN A 371 -7.924 17.919 11.230 1.00 4.31 N ATOM 401 CA GLN A 371 -6.651 17.454 10.705 1.00 73.40 C ATOM 402 C GLN A 371 -5.626 17.326 11.834 1.00 71.35 C ATOM 403 O GLN A 371 -4.728 16.487 11.769 1.00 15.24 O ATOM 404 CB GLN A 371 -6.140 18.383 9.603 1.00 61.05 C ATOM 405 CG GLN A 371 -6.096 19.834 10.085 1.00 13.22 C ATOM 406 CD GLN A 371 -7.420 20.547 9.800 1.00 43.05 C ATOM 407 OE1 GLN A 371 -7.661 21.052 8.715 1.00 32.33 O ATOM 408 NE2 GLN A 371 -8.261 20.560 10.830 1.00 45.01 N ATOM 0 H GLN A 371 -8.414 18.585 10.633 1.00 4.31 H new ATOM 0 HA GLN A 371 -6.801 16.469 10.263 1.00 73.40 H new ATOM 0 HB2 GLN A 371 -5.144 18.069 9.291 1.00 61.05 H new ATOM 0 HB3 GLN A 371 -6.787 18.306 8.729 1.00 61.05 H new ATOM 0 HG2 GLN A 371 -5.888 19.859 11.155 1.00 13.22 H new ATOM 0 HG3 GLN A 371 -5.281 20.361 9.589 1.00 13.22 H new ATOM 0 HE21 GLN A 371 -7.996 20.118 11.710 1.00 45.01 H new ATOM 0 HE22 GLN A 371 -9.171 21.012 10.740 1.00 45.01 H new ATOM 417 N LEU A 372 -5.794 18.170 12.841 1.00 60.22 N ATOM 418 CA LEU A 372 -4.894 18.162 13.982 1.00 74.21 C ATOM 419 C LEU A 372 -5.167 16.919 14.832 1.00 12.31 C ATOM 420 O LEU A 372 -6.310 16.546 15.096 1.00 63.12 O ATOM 421 CB LEU A 372 -5.003 19.475 14.759 1.00 13.03 C ATOM 422 CG LEU A 372 -4.414 19.470 16.171 1.00 23.52 C ATOM 423 CD1 LEU A 372 -5.406 18.883 17.177 1.00 0.44 C ATOM 424 CD2 LEU A 372 -3.069 18.740 16.201 1.00 10.30 C ATOM 0 H LEU A 372 -6.540 18.864 12.891 1.00 60.22 H new ATOM 0 HA LEU A 372 -3.858 18.100 13.650 1.00 74.21 H new ATOM 0 HB2 LEU A 372 -4.508 20.257 14.183 1.00 13.03 H new ATOM 0 HB3 LEU A 372 -6.056 19.747 14.827 1.00 13.03 H new ATOM 0 HG LEU A 372 -4.228 20.502 16.467 1.00 23.52 H new ATOM 0 HD11 LEU A 372 -4.962 18.891 18.173 1.00 0.44 H new ATOM 0 HD12 LEU A 372 -6.317 19.481 17.181 1.00 0.44 H new ATOM 0 HD13 LEU A 372 -5.646 17.858 16.895 1.00 0.44 H new ATOM 0 HD21 LEU A 372 -2.672 18.751 17.216 1.00 10.30 H new ATOM 0 HD22 LEU A 372 -3.207 17.709 15.876 1.00 10.30 H new ATOM 0 HD23 LEU A 372 -2.369 19.240 15.532 1.00 10.30 H new ATOM 436 N CYS A 373 -4.082 16.281 15.259 1.00 3.41 N ATOM 437 CA CYS A 373 -4.174 15.080 16.079 1.00 24.33 C ATOM 438 C CYS A 373 -4.664 15.416 17.485 1.00 63.42 C ATOM 439 O CYS A 373 -4.163 16.365 18.086 1.00 23.41 O ATOM 440 CB CYS A 373 -2.814 14.383 16.155 1.00 61.13 C ATOM 441 SG CYS A 373 -2.889 12.672 16.776 1.00 32.21 S ATOM 0 H CYS A 373 -3.128 16.577 15.050 1.00 3.41 H new ATOM 0 HA CYS A 373 -4.894 14.408 15.613 1.00 24.33 H new ATOM 0 HB2 CYS A 373 -2.364 14.378 15.162 1.00 61.13 H new ATOM 0 HB3 CYS A 373 -2.156 14.964 16.801 1.00 61.13 H new ATOM 446 N LYS A 374 -5.621 14.640 17.971 1.00 14.24 N ATOM 447 CA LYS A 374 -6.166 14.867 19.299 1.00 4.15 C ATOM 448 C LYS A 374 -5.420 13.991 20.308 1.00 71.30 C ATOM 449 O LYS A 374 -5.955 13.665 21.367 1.00 65.42 O ATOM 450 CB LYS A 374 -7.681 14.654 19.301 1.00 23.12 C ATOM 451 CG LYS A 374 -8.354 15.498 18.217 1.00 15.05 C ATOM 452 CD LYS A 374 -8.055 16.985 18.416 1.00 50.33 C ATOM 453 CE LYS A 374 -8.867 17.842 17.443 1.00 15.51 C ATOM 454 NZ LYS A 374 -10.257 18.000 17.927 1.00 32.24 N ATOM 0 H LYS A 374 -6.033 13.853 17.469 1.00 14.24 H new ATOM 0 HA LYS A 374 -6.013 15.903 19.601 1.00 4.15 H new ATOM 0 HB2 LYS A 374 -7.904 13.600 19.137 1.00 23.12 H new ATOM 0 HB3 LYS A 374 -8.088 14.918 20.277 1.00 23.12 H new ATOM 0 HG2 LYS A 374 -8.004 15.181 17.235 1.00 15.05 H new ATOM 0 HG3 LYS A 374 -9.431 15.334 18.240 1.00 15.05 H new ATOM 0 HD2 LYS A 374 -8.288 17.273 19.441 1.00 50.33 H new ATOM 0 HD3 LYS A 374 -6.991 17.169 18.267 1.00 50.33 H new ATOM 0 HE2 LYS A 374 -8.400 18.821 17.334 1.00 15.51 H new ATOM 0 HE3 LYS A 374 -8.870 17.379 16.456 1.00 15.51 H new ATOM 0 HZ1 LYS A 374 -10.680 18.847 17.496 1.00 32.24 H new ATOM 0 HZ2 LYS A 374 -10.814 17.162 17.663 1.00 32.24 H new ATOM 0 HZ3 LYS A 374 -10.255 18.103 18.962 1.00 32.24 H new ATOM 467 N ILE A 375 -4.197 13.634 19.944 1.00 51.33 N ATOM 468 CA ILE A 375 -3.373 12.802 20.803 1.00 2.14 C ATOM 469 C ILE A 375 -2.259 13.654 21.415 1.00 43.23 C ATOM 470 O ILE A 375 -2.121 13.719 22.635 1.00 4.02 O ATOM 471 CB ILE A 375 -2.862 11.580 20.037 1.00 53.42 C ATOM 472 CG1 ILE A 375 -4.025 10.764 19.469 1.00 32.24 C ATOM 473 CG2 ILE A 375 -1.938 10.731 20.912 1.00 75.31 C ATOM 474 CD1 ILE A 375 -3.522 9.476 18.813 1.00 14.41 C ATOM 0 H ILE A 375 -3.757 13.906 19.065 1.00 51.33 H new ATOM 0 HA ILE A 375 -3.964 12.407 21.629 1.00 2.14 H new ATOM 0 HB ILE A 375 -2.271 11.930 19.191 1.00 53.42 H new ATOM 0 HG12 ILE A 375 -4.727 10.520 20.267 1.00 32.24 H new ATOM 0 HG13 ILE A 375 -4.569 11.361 18.737 1.00 32.24 H new ATOM 0 HG21 ILE A 375 -1.589 9.869 20.343 1.00 75.31 H new ATOM 0 HG22 ILE A 375 -1.083 11.329 21.225 1.00 75.31 H new ATOM 0 HG23 ILE A 375 -2.483 10.389 21.792 1.00 75.31 H new ATOM 0 HD11 ILE A 375 -4.368 8.915 18.417 1.00 14.41 H new ATOM 0 HD12 ILE A 375 -2.839 9.724 18.000 1.00 14.41 H new ATOM 0 HD13 ILE A 375 -2.999 8.871 19.554 1.00 14.41 H new ATOM 486 N CYS A 376 -1.492 14.287 20.538 1.00 35.41 N ATOM 487 CA CYS A 376 -0.395 15.132 20.976 1.00 21.02 C ATOM 488 C CYS A 376 -0.817 16.593 20.808 1.00 61.13 C ATOM 489 O CYS A 376 -0.279 17.478 21.471 1.00 40.54 O ATOM 490 CB CYS A 376 0.897 14.820 20.218 1.00 31.10 C ATOM 491 SG CYS A 376 1.073 13.078 19.687 1.00 24.53 S ATOM 0 H CYS A 376 -1.609 14.231 19.526 1.00 35.41 H new ATOM 0 HA CYS A 376 -0.179 14.936 22.026 1.00 21.02 H new ATOM 0 HB2 CYS A 376 0.949 15.461 19.338 1.00 31.10 H new ATOM 0 HB3 CYS A 376 1.745 15.080 20.852 1.00 31.10 H new ATOM 496 N ALA A 377 -1.776 16.800 19.917 1.00 22.42 N ATOM 497 CA ALA A 377 -2.276 18.138 19.653 1.00 32.02 C ATOM 498 C ALA A 377 -1.097 19.074 19.382 1.00 40.31 C ATOM 499 O ALA A 377 -1.096 20.222 19.826 1.00 62.54 O ATOM 500 CB ALA A 377 -3.132 18.605 20.832 1.00 32.12 C ATOM 0 H ALA A 377 -2.220 16.063 19.369 1.00 22.42 H new ATOM 0 HA ALA A 377 -2.911 18.143 18.767 1.00 32.02 H new ATOM 0 HB1 ALA A 377 -3.507 19.609 20.634 1.00 32.12 H new ATOM 0 HB2 ALA A 377 -3.972 17.923 20.964 1.00 32.12 H new ATOM 0 HB3 ALA A 377 -2.527 18.616 21.739 1.00 32.12 H new ATOM 506 N GLU A 378 -0.122 18.550 18.654 1.00 4.04 N ATOM 507 CA GLU A 378 1.061 19.325 18.319 1.00 70.34 C ATOM 508 C GLU A 378 1.264 19.354 16.802 1.00 32.44 C ATOM 509 O GLU A 378 1.593 20.395 16.236 1.00 30.24 O ATOM 510 CB GLU A 378 2.299 18.771 19.027 1.00 73.52 C ATOM 511 CG GLU A 378 3.451 19.776 18.984 1.00 2.00 C ATOM 512 CD GLU A 378 4.777 19.107 19.352 1.00 32.45 C ATOM 513 OE1 GLU A 378 4.842 18.363 20.342 1.00 34.25 O ATOM 514 OE2 GLU A 378 5.763 19.382 18.568 1.00 61.32 O ATOM 0 H GLU A 378 -0.127 17.598 18.287 1.00 4.04 H new ATOM 0 HA GLU A 378 0.912 20.347 18.666 1.00 70.34 H new ATOM 0 HB2 GLU A 378 2.055 18.536 20.063 1.00 73.52 H new ATOM 0 HB3 GLU A 378 2.607 17.839 18.553 1.00 73.52 H new ATOM 0 HG2 GLU A 378 3.523 20.210 17.987 1.00 2.00 H new ATOM 0 HG3 GLU A 378 3.249 20.595 19.674 1.00 2.00 H new ATOM 522 N ASN A 379 1.059 18.198 16.188 1.00 72.21 N ATOM 523 CA ASN A 379 1.215 18.078 14.748 1.00 30.43 C ATOM 524 C ASN A 379 -0.085 17.547 14.141 1.00 14.40 C ATOM 525 O ASN A 379 -0.993 17.141 14.866 1.00 44.24 O ATOM 526 CB ASN A 379 2.335 17.097 14.396 1.00 44.32 C ATOM 527 CG ASN A 379 2.214 15.810 15.213 1.00 25.50 C ATOM 528 OD1 ASN A 379 1.138 15.394 15.609 1.00 30.12 O ATOM 529 ND2 ASN A 379 3.376 15.203 15.442 1.00 12.22 N ATOM 0 H ASN A 379 0.786 17.336 16.661 1.00 72.21 H new ATOM 0 HA ASN A 379 1.460 19.064 14.352 1.00 30.43 H new ATOM 0 HB2 ASN A 379 2.296 16.862 13.332 1.00 44.32 H new ATOM 0 HB3 ASN A 379 3.303 17.562 14.584 1.00 44.32 H new ATOM 0 HD21 ASN A 379 3.401 14.336 15.978 1.00 12.22 H new ATOM 0 HD22 ASN A 379 4.241 15.605 15.081 1.00 12.22 H new ATOM 536 N ASP A 380 -0.135 17.569 12.817 1.00 23.42 N ATOM 537 CA ASP A 380 -1.309 17.095 12.104 1.00 1.13 C ATOM 538 C ASP A 380 -1.257 15.569 12.002 1.00 51.43 C ATOM 539 O ASP A 380 -0.209 14.964 12.223 1.00 53.14 O ATOM 540 CB ASP A 380 -1.357 17.663 10.685 1.00 55.04 C ATOM 541 CG ASP A 380 -0.090 17.444 9.857 1.00 64.13 C ATOM 542 OD1 ASP A 380 -0.133 16.858 8.765 1.00 53.03 O ATOM 543 OD2 ASP A 380 0.992 17.910 10.383 1.00 63.52 O ATOM 0 H ASP A 380 0.619 17.908 12.219 1.00 23.42 H new ATOM 0 HA ASP A 380 -2.192 17.421 12.653 1.00 1.13 H new ATOM 0 HB2 ASP A 380 -2.199 17.214 10.158 1.00 55.04 H new ATOM 0 HB3 ASP A 380 -1.553 18.734 10.745 1.00 55.04 H new ATOM 549 N LYS A 381 -2.401 14.992 11.666 1.00 32.43 N ATOM 550 CA LYS A 381 -2.499 13.548 11.532 1.00 54.13 C ATOM 551 C LYS A 381 -1.674 13.095 10.325 1.00 12.55 C ATOM 552 O LYS A 381 -0.712 12.344 10.474 1.00 71.41 O ATOM 553 CB LYS A 381 -3.965 13.114 11.472 1.00 54.12 C ATOM 554 CG LYS A 381 -4.726 13.581 12.714 1.00 35.55 C ATOM 555 CD LYS A 381 -6.186 13.892 12.379 1.00 74.34 C ATOM 556 CE LYS A 381 -7.093 13.634 13.584 1.00 72.24 C ATOM 557 NZ LYS A 381 -8.513 13.602 13.166 1.00 22.24 N ATOM 0 H LYS A 381 -3.268 15.498 11.483 1.00 32.43 H new ATOM 0 HA LYS A 381 -2.080 13.055 12.409 1.00 54.13 H new ATOM 0 HB2 LYS A 381 -4.434 13.525 10.578 1.00 54.12 H new ATOM 0 HB3 LYS A 381 -4.024 12.029 11.392 1.00 54.12 H new ATOM 0 HG2 LYS A 381 -4.682 12.810 13.483 1.00 35.55 H new ATOM 0 HG3 LYS A 381 -4.247 14.469 13.126 1.00 35.55 H new ATOM 0 HD2 LYS A 381 -6.277 14.932 12.067 1.00 74.34 H new ATOM 0 HD3 LYS A 381 -6.509 13.278 11.538 1.00 74.34 H new ATOM 0 HE2 LYS A 381 -6.824 12.687 14.053 1.00 72.24 H new ATOM 0 HE3 LYS A 381 -6.945 14.413 14.332 1.00 72.24 H new ATOM 0 HZ1 LYS A 381 -9.009 12.845 13.678 1.00 22.24 H new ATOM 0 HZ2 LYS A 381 -8.959 14.516 13.382 1.00 22.24 H new ATOM 0 HZ3 LYS A 381 -8.570 13.423 12.143 1.00 22.24 H new ATOM 570 N ASP A 382 -2.081 13.572 9.158 1.00 2.42 N ATOM 571 CA ASP A 382 -1.391 13.226 7.927 1.00 51.20 C ATOM 572 C ASP A 382 -1.422 11.708 7.740 1.00 60.02 C ATOM 573 O ASP A 382 -0.564 11.145 7.061 1.00 32.05 O ATOM 574 CB ASP A 382 0.073 13.667 7.973 1.00 2.13 C ATOM 575 CG ASP A 382 0.694 13.992 6.613 1.00 11.43 C ATOM 576 OD1 ASP A 382 1.401 13.165 6.020 1.00 63.23 O ATOM 577 OD2 ASP A 382 0.422 15.168 6.157 1.00 10.11 O ATOM 0 H ASP A 382 -2.880 14.195 9.039 1.00 2.42 H new ATOM 0 HA ASP A 382 -1.894 13.734 7.104 1.00 51.20 H new ATOM 0 HB2 ASP A 382 0.152 14.547 8.611 1.00 2.13 H new ATOM 0 HB3 ASP A 382 0.660 12.878 8.444 1.00 2.13 H new ATOM 583 N VAL A 383 -2.419 11.088 8.353 1.00 15.44 N ATOM 584 CA VAL A 383 -2.573 9.646 8.263 1.00 54.31 C ATOM 585 C VAL A 383 -4.039 9.278 8.501 1.00 12.34 C ATOM 586 O VAL A 383 -4.841 10.127 8.887 1.00 13.42 O ATOM 587 CB VAL A 383 -1.617 8.956 9.238 1.00 75.22 C ATOM 588 CG1 VAL A 383 -2.270 8.775 10.610 1.00 43.21 C ATOM 589 CG2 VAL A 383 -1.137 7.615 8.678 1.00 55.20 C ATOM 0 H VAL A 383 -3.129 11.558 8.915 1.00 15.44 H new ATOM 0 HA VAL A 383 -2.308 9.295 7.266 1.00 54.31 H new ATOM 0 HB VAL A 383 -0.745 9.598 9.364 1.00 75.22 H new ATOM 0 HG11 VAL A 383 -1.569 8.282 11.284 1.00 43.21 H new ATOM 0 HG12 VAL A 383 -2.540 9.750 11.016 1.00 43.21 H new ATOM 0 HG13 VAL A 383 -3.167 8.164 10.508 1.00 43.21 H new ATOM 0 HG21 VAL A 383 -0.459 7.145 9.390 1.00 55.20 H new ATOM 0 HG22 VAL A 383 -1.994 6.963 8.509 1.00 55.20 H new ATOM 0 HG23 VAL A 383 -0.616 7.780 7.735 1.00 55.20 H new ATOM 599 N LYS A 384 -4.345 8.012 8.262 1.00 64.42 N ATOM 600 CA LYS A 384 -5.700 7.521 8.446 1.00 62.34 C ATOM 601 C LYS A 384 -5.659 6.019 8.734 1.00 21.24 C ATOM 602 O LYS A 384 -4.790 5.310 8.230 1.00 63.50 O ATOM 603 CB LYS A 384 -6.572 7.892 7.245 1.00 41.54 C ATOM 604 CG LYS A 384 -7.928 7.187 7.312 1.00 23.31 C ATOM 605 CD LYS A 384 -8.678 7.313 5.985 1.00 53.01 C ATOM 606 CE LYS A 384 -10.117 6.809 6.118 1.00 2.44 C ATOM 607 NZ LYS A 384 -10.738 6.656 4.784 1.00 70.31 N ATOM 0 H LYS A 384 -3.677 7.310 7.942 1.00 64.42 H new ATOM 0 HA LYS A 384 -6.164 7.999 9.308 1.00 62.34 H new ATOM 0 HB2 LYS A 384 -6.721 8.972 7.219 1.00 41.54 H new ATOM 0 HB3 LYS A 384 -6.061 7.618 6.322 1.00 41.54 H new ATOM 0 HG2 LYS A 384 -7.783 6.134 7.553 1.00 23.31 H new ATOM 0 HG3 LYS A 384 -8.527 7.618 8.114 1.00 23.31 H new ATOM 0 HD2 LYS A 384 -8.682 8.354 5.663 1.00 53.01 H new ATOM 0 HD3 LYS A 384 -8.159 6.743 5.214 1.00 53.01 H new ATOM 0 HE2 LYS A 384 -10.127 5.853 6.642 1.00 2.44 H new ATOM 0 HE3 LYS A 384 -10.699 7.508 6.719 1.00 2.44 H new ATOM 0 HZ1 LYS A 384 -11.765 6.530 4.891 1.00 70.31 H new ATOM 0 HZ2 LYS A 384 -10.552 7.506 4.215 1.00 70.31 H new ATOM 0 HZ3 LYS A 384 -10.335 5.825 4.307 1.00 70.31 H new ATOM 620 N ILE A 385 -6.610 5.578 9.545 1.00 3.41 N ATOM 621 CA ILE A 385 -6.693 4.174 9.907 1.00 33.41 C ATOM 622 C ILE A 385 -7.930 3.555 9.251 1.00 4.15 C ATOM 623 O ILE A 385 -9.012 4.138 9.286 1.00 32.13 O ATOM 624 CB ILE A 385 -6.656 4.009 11.428 1.00 53.12 C ATOM 625 CG1 ILE A 385 -5.379 4.615 12.014 1.00 73.20 C ATOM 626 CG2 ILE A 385 -6.829 2.542 11.825 1.00 74.31 C ATOM 627 CD1 ILE A 385 -4.157 3.764 11.663 1.00 74.34 C ATOM 0 H ILE A 385 -7.330 6.169 9.961 1.00 3.41 H new ATOM 0 HA ILE A 385 -5.826 3.632 9.530 1.00 33.41 H new ATOM 0 HB ILE A 385 -7.497 4.558 11.852 1.00 53.12 H new ATOM 0 HG12 ILE A 385 -5.244 5.627 11.632 1.00 73.20 H new ATOM 0 HG13 ILE A 385 -5.473 4.693 13.097 1.00 73.20 H new ATOM 0 HG21 ILE A 385 -6.799 2.453 12.911 1.00 74.31 H new ATOM 0 HG22 ILE A 385 -7.788 2.176 11.457 1.00 74.31 H new ATOM 0 HG23 ILE A 385 -6.024 1.950 11.390 1.00 74.31 H new ATOM 0 HD11 ILE A 385 -3.263 4.217 12.092 1.00 74.34 H new ATOM 0 HD12 ILE A 385 -4.285 2.760 12.067 1.00 74.34 H new ATOM 0 HD13 ILE A 385 -4.052 3.708 10.580 1.00 74.34 H new ATOM 639 N GLU A 386 -7.727 2.383 8.669 1.00 60.50 N ATOM 640 CA GLU A 386 -8.812 1.679 8.006 1.00 22.44 C ATOM 641 C GLU A 386 -8.758 0.186 8.340 1.00 52.41 C ATOM 642 O GLU A 386 -7.723 -0.321 8.769 1.00 11.43 O ATOM 643 CB GLU A 386 -8.769 1.904 6.494 1.00 43.32 C ATOM 644 CG GLU A 386 -9.714 3.034 6.081 1.00 52.02 C ATOM 645 CD GLU A 386 -9.713 3.222 4.562 1.00 12.34 C ATOM 646 OE1 GLU A 386 -8.889 3.982 4.032 1.00 2.04 O ATOM 647 OE2 GLU A 386 -10.609 2.544 3.928 1.00 11.53 O ATOM 0 H GLU A 386 -6.828 1.903 8.642 1.00 60.50 H new ATOM 0 HA GLU A 386 -9.757 2.080 8.373 1.00 22.44 H new ATOM 0 HB2 GLU A 386 -7.751 2.146 6.187 1.00 43.32 H new ATOM 0 HB3 GLU A 386 -9.048 0.985 5.978 1.00 43.32 H new ATOM 0 HG2 GLU A 386 -10.725 2.811 6.423 1.00 52.02 H new ATOM 0 HG3 GLU A 386 -9.411 3.962 6.566 1.00 52.02 H new ATOM 655 N PRO A 387 -9.916 -0.493 8.124 1.00 55.20 N ATOM 656 CA PRO A 387 -11.097 0.184 7.614 1.00 63.45 C ATOM 657 C PRO A 387 -11.757 1.032 8.702 1.00 24.05 C ATOM 658 O PRO A 387 -12.717 1.764 8.468 1.00 53.30 O ATOM 659 CB PRO A 387 -11.996 -0.929 7.100 1.00 15.41 C ATOM 660 CG PRO A 387 -11.499 -2.205 7.759 1.00 11.23 C ATOM 661 CD PRO A 387 -10.133 -1.917 8.359 1.00 25.43 C ATOM 0 HA PRO A 387 -10.866 0.891 6.818 1.00 63.45 H new ATOM 0 HB2 PRO A 387 -13.038 -0.738 7.355 1.00 15.41 H new ATOM 0 HB3 PRO A 387 -11.942 -1.004 6.014 1.00 15.41 H new ATOM 0 HG2 PRO A 387 -12.195 -2.531 8.532 1.00 11.23 H new ATOM 0 HG3 PRO A 387 -11.433 -3.011 7.029 1.00 11.23 H new ATOM 0 HD2 PRO A 387 -10.111 -2.150 9.424 1.00 25.43 H new ATOM 0 HD3 PRO A 387 -9.358 -2.519 7.885 1.00 25.43 H new ATOM 669 N CYS A 388 -11.214 0.916 9.911 1.00 53.12 N ATOM 670 CA CYS A 388 -11.729 1.659 11.055 1.00 60.52 C ATOM 671 C CYS A 388 -12.154 3.066 10.645 1.00 64.33 C ATOM 672 O CYS A 388 -13.346 3.305 10.459 1.00 21.53 O ATOM 673 CB CYS A 388 -10.672 1.734 12.158 1.00 41.51 C ATOM 674 SG CYS A 388 -11.177 2.719 13.605 1.00 14.41 S ATOM 0 H CYS A 388 -10.418 0.315 10.123 1.00 53.12 H new ATOM 0 HA CYS A 388 -12.604 1.132 11.435 1.00 60.52 H new ATOM 0 HB2 CYS A 388 -10.432 0.723 12.486 1.00 41.51 H new ATOM 0 HB3 CYS A 388 -9.758 2.160 11.743 1.00 41.51 H new ATOM 679 N GLY A 389 -11.181 3.956 10.514 1.00 22.33 N ATOM 680 CA GLY A 389 -11.468 5.327 10.129 1.00 62.03 C ATOM 681 C GLY A 389 -11.004 6.308 11.207 1.00 45.43 C ATOM 682 O GLY A 389 -11.662 7.316 11.459 1.00 50.32 O ATOM 0 H GLY A 389 -10.193 3.754 10.668 1.00 22.33 H new ATOM 0 HA2 GLY A 389 -10.971 5.555 9.186 1.00 62.03 H new ATOM 0 HA3 GLY A 389 -12.539 5.445 9.962 1.00 62.03 H new ATOM 686 N HIS A 390 -9.873 5.979 11.814 1.00 1.30 N ATOM 687 CA HIS A 390 -9.313 6.819 12.859 1.00 1.22 C ATOM 688 C HIS A 390 -8.059 7.523 12.335 1.00 33.14 C ATOM 689 O HIS A 390 -7.179 6.885 11.760 1.00 74.32 O ATOM 690 CB HIS A 390 -9.050 6.005 14.128 1.00 44.15 C ATOM 691 CG HIS A 390 -10.300 5.472 14.786 1.00 61.25 C ATOM 692 ND1 HIS A 390 -10.276 4.471 15.742 1.00 45.44 N ATOM 693 CD2 HIS A 390 -11.610 5.811 14.616 1.00 31.30 C ATOM 694 CE1 HIS A 390 -11.521 4.227 16.122 1.00 24.55 C ATOM 695 NE2 HIS A 390 -12.346 5.057 15.423 1.00 13.24 N ATOM 0 H HIS A 390 -9.329 5.142 11.602 1.00 1.30 H new ATOM 0 HA HIS A 390 -10.032 7.591 13.135 1.00 1.22 H new ATOM 0 HB2 HIS A 390 -8.396 5.168 13.882 1.00 44.15 H new ATOM 0 HB3 HIS A 390 -8.513 6.629 14.843 1.00 44.15 H new ATOM 0 HD2 HIS A 390 -11.985 6.565 13.940 1.00 31.30 H new ATOM 0 HE1 HIS A 390 -11.829 3.498 16.857 1.00 24.55 H new ATOM 0 HE2 HIS A 390 -13.362 5.093 15.506 1.00 13.24 H new ATOM 703 N LEU A 391 -8.018 8.829 12.554 1.00 51.01 N ATOM 704 CA LEU A 391 -6.887 9.627 12.111 1.00 31.42 C ATOM 705 C LEU A 391 -5.933 9.848 13.287 1.00 73.11 C ATOM 706 O LEU A 391 -6.338 9.757 14.445 1.00 52.21 O ATOM 707 CB LEU A 391 -7.369 10.923 11.458 1.00 41.34 C ATOM 708 CG LEU A 391 -8.679 10.832 10.673 1.00 14.31 C ATOM 709 CD1 LEU A 391 -8.685 9.609 9.755 1.00 63.33 C ATOM 710 CD2 LEU A 391 -9.885 10.847 11.615 1.00 23.14 C ATOM 0 H LEU A 391 -8.750 9.355 13.032 1.00 51.01 H new ATOM 0 HA LEU A 391 -6.326 9.099 11.340 1.00 31.42 H new ATOM 0 HB2 LEU A 391 -7.487 11.677 12.237 1.00 41.34 H new ATOM 0 HB3 LEU A 391 -6.589 11.279 10.785 1.00 41.34 H new ATOM 0 HG LEU A 391 -8.757 11.713 10.036 1.00 14.31 H new ATOM 0 HD11 LEU A 391 -9.628 9.569 9.209 1.00 63.33 H new ATOM 0 HD12 LEU A 391 -7.859 9.681 9.048 1.00 63.33 H new ATOM 0 HD13 LEU A 391 -8.573 8.705 10.353 1.00 63.33 H new ATOM 0 HD21 LEU A 391 -10.803 10.781 11.031 1.00 23.14 H new ATOM 0 HD22 LEU A 391 -9.826 9.998 12.295 1.00 23.14 H new ATOM 0 HD23 LEU A 391 -9.886 11.773 12.190 1.00 23.14 H new ATOM 722 N MET A 392 -4.685 10.134 12.949 1.00 43.12 N ATOM 723 CA MET A 392 -3.670 10.369 13.962 1.00 11.20 C ATOM 724 C MET A 392 -2.371 10.875 13.331 1.00 74.14 C ATOM 725 O MET A 392 -2.254 10.934 12.108 1.00 44.23 O ATOM 726 CB MET A 392 -3.396 9.070 14.722 1.00 74.33 C ATOM 727 CG MET A 392 -2.631 8.074 13.847 1.00 1.34 C ATOM 728 SD MET A 392 -2.589 6.474 14.638 1.00 44.34 S ATOM 729 CE MET A 392 -4.338 6.181 14.838 1.00 0.31 C ATOM 0 H MET A 392 -4.353 10.208 11.987 1.00 43.12 H new ATOM 0 HA MET A 392 -4.039 11.131 14.648 1.00 11.20 H new ATOM 0 HB2 MET A 392 -2.821 9.286 15.622 1.00 74.33 H new ATOM 0 HB3 MET A 392 -4.338 8.627 15.044 1.00 74.33 H new ATOM 0 HG2 MET A 392 -3.108 7.994 12.870 1.00 1.34 H new ATOM 0 HG3 MET A 392 -1.615 8.432 13.677 1.00 1.34 H new ATOM 0 HE1 MET A 392 -4.534 5.109 14.801 1.00 0.31 H new ATOM 0 HE2 MET A 392 -4.666 6.577 15.799 1.00 0.31 H new ATOM 0 HE3 MET A 392 -4.884 6.677 14.036 1.00 0.31 H new ATOM 739 N CYS A 393 -1.429 11.226 14.193 1.00 12.42 N ATOM 740 CA CYS A 393 -0.144 11.725 13.735 1.00 5.12 C ATOM 741 C CYS A 393 0.858 10.568 13.762 1.00 14.51 C ATOM 742 O CYS A 393 1.167 10.035 14.826 1.00 11.24 O ATOM 743 CB CYS A 393 0.334 12.913 14.574 1.00 72.35 C ATOM 744 SG CYS A 393 0.517 12.566 16.361 1.00 63.21 S ATOM 0 H CYS A 393 -1.530 11.175 15.207 1.00 12.42 H new ATOM 0 HA CYS A 393 -0.239 12.099 12.716 1.00 5.12 H new ATOM 0 HB2 CYS A 393 1.294 13.252 14.184 1.00 72.35 H new ATOM 0 HB3 CYS A 393 -0.370 13.735 14.448 1.00 72.35 H new ATOM 749 N THR A 394 1.336 10.215 12.578 1.00 23.44 N ATOM 750 CA THR A 394 2.296 9.131 12.453 1.00 61.11 C ATOM 751 C THR A 394 3.344 9.215 13.565 1.00 52.15 C ATOM 752 O THR A 394 3.491 8.284 14.355 1.00 5.41 O ATOM 753 CB THR A 394 2.896 9.191 11.047 1.00 51.23 C ATOM 754 OG1 THR A 394 1.761 9.236 10.187 1.00 53.34 O ATOM 755 CG2 THR A 394 3.607 7.894 10.657 1.00 21.43 C ATOM 0 H THR A 394 1.077 10.660 11.697 1.00 23.44 H new ATOM 0 HA THR A 394 1.815 8.161 12.576 1.00 61.11 H new ATOM 0 HB THR A 394 3.599 10.022 10.988 1.00 51.23 H new ATOM 0 HG1 THR A 394 2.059 9.278 9.254 1.00 53.34 H new ATOM 0 HG21 THR A 394 4.014 7.991 9.651 1.00 21.43 H new ATOM 0 HG22 THR A 394 4.417 7.698 11.359 1.00 21.43 H new ATOM 0 HG23 THR A 394 2.897 7.068 10.683 1.00 21.43 H new ATOM 763 N SER A 395 4.044 10.339 13.590 1.00 44.34 N ATOM 764 CA SER A 395 5.074 10.557 14.591 1.00 2.23 C ATOM 765 C SER A 395 4.580 10.086 15.961 1.00 64.24 C ATOM 766 O SER A 395 5.351 9.540 16.748 1.00 23.14 O ATOM 767 CB SER A 395 5.480 12.031 14.652 1.00 2.01 C ATOM 768 OG SER A 395 6.815 12.198 15.122 1.00 1.04 O ATOM 0 H SER A 395 3.918 11.109 12.933 1.00 44.34 H new ATOM 0 HA SER A 395 5.953 9.977 14.309 1.00 2.23 H new ATOM 0 HB2 SER A 395 5.387 12.474 13.661 1.00 2.01 H new ATOM 0 HB3 SER A 395 4.795 12.569 15.307 1.00 2.01 H new ATOM 0 HG SER A 395 7.037 13.152 15.145 1.00 1.04 H new ATOM 774 N CYS A 396 3.298 10.314 16.202 1.00 32.21 N ATOM 775 CA CYS A 396 2.692 9.919 17.463 1.00 51.35 C ATOM 776 C CYS A 396 2.527 8.398 17.461 1.00 41.30 C ATOM 777 O CYS A 396 2.982 7.720 18.381 1.00 15.21 O ATOM 778 CB CYS A 396 1.362 10.637 17.700 1.00 52.20 C ATOM 779 SG CYS A 396 1.327 12.386 17.162 1.00 0.01 S ATOM 0 H CYS A 396 2.662 10.767 15.546 1.00 32.21 H new ATOM 0 HA CYS A 396 3.340 10.212 18.289 1.00 51.35 H new ATOM 0 HB2 CYS A 396 0.574 10.095 17.177 1.00 52.20 H new ATOM 0 HB3 CYS A 396 1.126 10.594 18.763 1.00 52.20 H new ATOM 784 N LEU A 397 1.876 7.907 16.417 1.00 33.32 N ATOM 785 CA LEU A 397 1.645 6.478 16.284 1.00 43.22 C ATOM 786 C LEU A 397 2.927 5.724 16.642 1.00 20.45 C ATOM 787 O LEU A 397 2.873 4.656 17.250 1.00 24.52 O ATOM 788 CB LEU A 397 1.108 6.150 14.889 1.00 3.12 C ATOM 789 CG LEU A 397 1.134 4.673 14.491 1.00 33.11 C ATOM 790 CD1 LEU A 397 2.569 4.183 14.292 1.00 4.41 C ATOM 791 CD2 LEU A 397 0.372 3.818 15.506 1.00 3.34 C ATOM 0 H LEU A 397 1.501 8.473 15.655 1.00 33.32 H new ATOM 0 HA LEU A 397 0.875 6.149 16.982 1.00 43.22 H new ATOM 0 HB2 LEU A 397 0.080 6.505 14.824 1.00 3.12 H new ATOM 0 HB3 LEU A 397 1.686 6.713 14.157 1.00 3.12 H new ATOM 0 HG LEU A 397 0.623 4.569 13.534 1.00 33.11 H new ATOM 0 HD11 LEU A 397 2.558 3.130 14.010 1.00 4.41 H new ATOM 0 HD12 LEU A 397 3.046 4.765 13.504 1.00 4.41 H new ATOM 0 HD13 LEU A 397 3.127 4.304 15.221 1.00 4.41 H new ATOM 0 HD21 LEU A 397 0.406 2.773 15.199 1.00 3.34 H new ATOM 0 HD22 LEU A 397 0.832 3.923 16.489 1.00 3.34 H new ATOM 0 HD23 LEU A 397 -0.666 4.149 15.554 1.00 3.34 H new ATOM 803 N THR A 398 4.049 6.309 16.251 1.00 64.30 N ATOM 804 CA THR A 398 5.343 5.705 16.524 1.00 73.14 C ATOM 805 C THR A 398 5.562 5.572 18.032 1.00 52.01 C ATOM 806 O THR A 398 5.990 4.523 18.511 1.00 41.04 O ATOM 807 CB THR A 398 6.414 6.546 15.826 1.00 74.23 C ATOM 808 OG1 THR A 398 6.128 6.390 14.438 1.00 12.05 O ATOM 809 CG2 THR A 398 7.817 5.957 15.985 1.00 33.15 C ATOM 0 H THR A 398 4.090 7.195 15.747 1.00 64.30 H new ATOM 0 HA THR A 398 5.397 4.691 16.129 1.00 73.14 H new ATOM 0 HB THR A 398 6.398 7.559 16.227 1.00 74.23 H new ATOM 0 HG1 THR A 398 5.357 6.946 14.198 1.00 12.05 H new ATOM 0 HG21 THR A 398 8.539 6.592 15.471 1.00 33.15 H new ATOM 0 HG22 THR A 398 8.071 5.902 17.044 1.00 33.15 H new ATOM 0 HG23 THR A 398 7.843 4.956 15.554 1.00 33.15 H new ATOM 817 N ALA A 399 5.258 6.651 18.739 1.00 61.41 N ATOM 818 CA ALA A 399 5.416 6.668 20.183 1.00 25.32 C ATOM 819 C ALA A 399 4.541 5.576 20.801 1.00 61.50 C ATOM 820 O ALA A 399 4.772 5.157 21.934 1.00 13.35 O ATOM 821 CB ALA A 399 5.076 8.060 20.718 1.00 55.22 C ATOM 0 H ALA A 399 4.903 7.519 18.338 1.00 61.41 H new ATOM 0 HA ALA A 399 6.449 6.457 20.458 1.00 25.32 H new ATOM 0 HB1 ALA A 399 5.195 8.072 21.801 1.00 55.22 H new ATOM 0 HB2 ALA A 399 5.745 8.795 20.271 1.00 55.22 H new ATOM 0 HB3 ALA A 399 4.045 8.306 20.463 1.00 55.22 H new ATOM 827 N TRP A 400 3.555 5.145 20.028 1.00 33.23 N ATOM 828 CA TRP A 400 2.644 4.109 20.485 1.00 14.34 C ATOM 829 C TRP A 400 3.277 2.752 20.175 1.00 70.50 C ATOM 830 O TRP A 400 3.607 1.993 21.086 1.00 54.51 O ATOM 831 CB TRP A 400 1.259 4.281 19.857 1.00 22.22 C ATOM 832 CG TRP A 400 0.457 2.982 19.754 1.00 65.32 C ATOM 833 CD1 TRP A 400 0.198 2.257 18.657 1.00 50.54 C ATOM 834 CD2 TRP A 400 -0.183 2.278 20.839 1.00 63.21 C ATOM 835 NE1 TRP A 400 -0.560 1.143 18.954 1.00 64.22 N ATOM 836 CE2 TRP A 400 -0.798 1.156 20.323 1.00 32.42 C ATOM 837 CE3 TRP A 400 -0.240 2.579 22.211 1.00 5.20 C ATOM 838 CZ2 TRP A 400 -1.515 0.245 21.109 1.00 61.13 C ATOM 839 CZ3 TRP A 400 -0.960 1.659 22.983 1.00 44.34 C ATOM 840 CH2 TRP A 400 -1.585 0.525 22.479 1.00 71.04 C ATOM 0 H TRP A 400 3.367 5.494 19.088 1.00 33.23 H new ATOM 0 HA TRP A 400 2.486 4.181 21.561 1.00 14.34 H new ATOM 0 HB2 TRP A 400 0.691 5.001 20.446 1.00 22.22 H new ATOM 0 HB3 TRP A 400 1.374 4.705 18.860 1.00 22.22 H new ATOM 0 HD1 TRP A 400 0.540 2.513 17.665 1.00 50.54 H new ATOM 0 HE1 TRP A 400 -0.886 0.440 18.291 1.00 64.22 H new ATOM 0 HE3 TRP A 400 0.234 3.451 22.636 1.00 5.20 H new ATOM 0 HZ2 TRP A 400 -1.988 -0.626 20.681 1.00 61.13 H new ATOM 0 HZ3 TRP A 400 -1.035 1.844 24.044 1.00 44.34 H new ATOM 0 HH2 TRP A 400 -2.122 -0.138 23.141 1.00 71.04 H new ATOM 851 N GLN A 401 3.428 2.486 18.886 1.00 61.22 N ATOM 852 CA GLN A 401 4.016 1.233 18.444 1.00 61.32 C ATOM 853 C GLN A 401 5.360 1.003 19.138 1.00 32.24 C ATOM 854 O GLN A 401 5.869 -0.117 19.157 1.00 44.40 O ATOM 855 CB GLN A 401 4.174 1.208 16.922 1.00 20.33 C ATOM 856 CG GLN A 401 2.813 1.094 16.232 1.00 45.44 C ATOM 857 CD GLN A 401 2.551 -0.340 15.770 1.00 71.43 C ATOM 858 OE1 GLN A 401 3.448 -1.161 15.669 1.00 73.44 O ATOM 859 NE2 GLN A 401 1.275 -0.596 15.496 1.00 14.41 N ATOM 0 H GLN A 401 3.153 3.117 18.133 1.00 61.22 H new ATOM 0 HA GLN A 401 3.343 0.421 18.720 1.00 61.32 H new ATOM 0 HB2 GLN A 401 4.679 2.115 16.590 1.00 20.33 H new ATOM 0 HB3 GLN A 401 4.805 0.368 16.632 1.00 20.33 H new ATOM 0 HG2 GLN A 401 2.026 1.408 16.918 1.00 45.44 H new ATOM 0 HG3 GLN A 401 2.778 1.768 15.376 1.00 45.44 H new ATOM 0 HE21 GLN A 401 0.574 0.137 15.602 1.00 14.41 H new ATOM 0 HE22 GLN A 401 0.998 -1.525 15.180 1.00 14.41 H new ATOM 868 N GLU A 402 5.895 2.080 19.693 1.00 44.54 N ATOM 869 CA GLU A 402 7.170 2.010 20.387 1.00 41.25 C ATOM 870 C GLU A 402 7.286 0.690 21.151 1.00 63.12 C ATOM 871 O GLU A 402 8.157 -0.127 20.856 1.00 23.24 O ATOM 872 CB GLU A 402 7.350 3.205 21.325 1.00 31.23 C ATOM 873 CG GLU A 402 8.241 4.273 20.689 1.00 44.11 C ATOM 874 CD GLU A 402 9.706 3.832 20.682 1.00 63.41 C ATOM 875 OE1 GLU A 402 10.014 2.699 21.081 1.00 23.14 O ATOM 876 OE2 GLU A 402 10.539 4.712 20.240 1.00 1.44 O ATOM 0 H GLU A 402 5.469 3.007 19.676 1.00 44.54 H new ATOM 0 HA GLU A 402 7.968 2.049 19.646 1.00 41.25 H new ATOM 0 HB2 GLU A 402 6.377 3.634 21.564 1.00 31.23 H new ATOM 0 HB3 GLU A 402 7.791 2.871 22.264 1.00 31.23 H new ATOM 0 HG2 GLU A 402 7.911 4.466 19.668 1.00 44.11 H new ATOM 0 HG3 GLU A 402 8.142 5.209 21.239 1.00 44.11 H new ATOM 884 N SER A 403 6.396 0.522 22.117 1.00 12.24 N ATOM 885 CA SER A 403 6.388 -0.685 22.926 1.00 14.02 C ATOM 886 C SER A 403 5.037 -1.392 22.798 1.00 54.50 C ATOM 887 O SER A 403 4.942 -2.601 23.003 1.00 3.44 O ATOM 888 CB SER A 403 6.683 -0.367 24.393 1.00 2.02 C ATOM 889 OG SER A 403 8.081 -0.371 24.669 1.00 23.32 O ATOM 0 H SER A 403 5.675 1.202 22.358 1.00 12.24 H new ATOM 0 HA SER A 403 7.173 -1.346 22.560 1.00 14.02 H new ATOM 0 HB2 SER A 403 6.267 0.609 24.643 1.00 2.02 H new ATOM 0 HB3 SER A 403 6.186 -1.099 25.030 1.00 2.02 H new ATOM 0 HG SER A 403 8.228 -0.162 25.615 1.00 23.32 H new ATOM 895 N ASP A 404 4.024 -0.607 22.459 1.00 3.20 N ATOM 896 CA ASP A 404 2.683 -1.142 22.301 1.00 73.00 C ATOM 897 C ASP A 404 2.548 -1.766 20.910 1.00 12.24 C ATOM 898 O ASP A 404 2.892 -2.930 20.712 1.00 3.13 O ATOM 899 CB ASP A 404 1.631 -0.038 22.428 1.00 31.41 C ATOM 900 CG ASP A 404 1.306 0.383 23.863 1.00 41.24 C ATOM 901 OD1 ASP A 404 1.600 1.514 24.278 1.00 22.10 O ATOM 902 OD2 ASP A 404 0.718 -0.517 24.575 1.00 12.23 O ATOM 0 H ASP A 404 4.106 0.395 22.290 1.00 3.20 H new ATOM 0 HA ASP A 404 2.522 -1.885 23.082 1.00 73.00 H new ATOM 0 HB2 ASP A 404 1.976 0.837 21.878 1.00 31.41 H new ATOM 0 HB3 ASP A 404 0.713 -0.375 21.947 1.00 31.41 H new ATOM 908 N GLY A 405 2.046 -0.964 19.983 1.00 14.33 N ATOM 909 CA GLY A 405 1.861 -1.422 18.617 1.00 72.50 C ATOM 910 C GLY A 405 0.745 -2.467 18.535 1.00 4.43 C ATOM 911 O GLY A 405 0.785 -3.357 17.688 1.00 72.22 O ATOM 0 H GLY A 405 1.761 0.001 20.151 1.00 14.33 H new ATOM 0 HA2 GLY A 405 1.619 -0.575 17.975 1.00 72.50 H new ATOM 0 HA3 GLY A 405 2.792 -1.849 18.244 1.00 72.50 H new ATOM 915 N GLN A 406 -0.223 -2.322 19.428 1.00 60.41 N ATOM 916 CA GLN A 406 -1.347 -3.242 19.467 1.00 33.05 C ATOM 917 C GLN A 406 -2.483 -2.731 18.579 1.00 42.35 C ATOM 918 O GLN A 406 -3.602 -2.532 19.048 1.00 32.11 O ATOM 919 CB GLN A 406 -1.830 -3.457 20.903 1.00 4.04 C ATOM 920 CG GLN A 406 -1.198 -4.710 21.512 1.00 22.52 C ATOM 921 CD GLN A 406 -1.603 -4.872 22.979 1.00 51.33 C ATOM 922 OE1 GLN A 406 -0.849 -4.583 23.893 1.00 30.03 O ATOM 923 NE2 GLN A 406 -2.833 -5.348 23.151 1.00 51.32 N ATOM 0 H GLN A 406 -0.252 -1.582 20.129 1.00 60.41 H new ATOM 0 HA GLN A 406 -1.015 -4.206 19.081 1.00 33.05 H new ATOM 0 HB2 GLN A 406 -1.578 -2.587 21.509 1.00 4.04 H new ATOM 0 HB3 GLN A 406 -2.916 -3.550 20.915 1.00 4.04 H new ATOM 0 HG2 GLN A 406 -1.507 -5.589 20.947 1.00 22.52 H new ATOM 0 HG3 GLN A 406 -0.112 -4.648 21.436 1.00 22.52 H new ATOM 0 HE21 GLN A 406 -3.412 -5.570 22.341 1.00 51.32 H new ATOM 0 HE22 GLN A 406 -3.197 -5.491 24.093 1.00 51.32 H new ATOM 932 N GLY A 407 -2.155 -2.532 17.310 1.00 31.22 N ATOM 933 CA GLY A 407 -3.134 -2.048 16.351 1.00 5.14 C ATOM 934 C GLY A 407 -3.511 -0.593 16.640 1.00 21.52 C ATOM 935 O GLY A 407 -2.777 0.118 17.325 1.00 35.54 O ATOM 0 H GLY A 407 -1.225 -2.697 16.924 1.00 31.22 H new ATOM 0 HA2 GLY A 407 -2.731 -2.129 15.342 1.00 5.14 H new ATOM 0 HA3 GLY A 407 -4.026 -2.673 16.389 1.00 5.14 H new ATOM 939 N CYS A 408 -4.654 -0.194 16.103 1.00 74.50 N ATOM 940 CA CYS A 408 -5.138 1.162 16.294 1.00 0.34 C ATOM 941 C CYS A 408 -5.243 1.427 17.798 1.00 53.14 C ATOM 942 O CYS A 408 -5.953 0.717 18.508 1.00 1.23 O ATOM 943 CB CYS A 408 -6.471 1.394 15.579 1.00 24.03 C ATOM 944 SG CYS A 408 -6.721 3.096 14.955 1.00 64.34 S ATOM 0 H CYS A 408 -5.260 -0.787 15.535 1.00 74.50 H new ATOM 0 HA CYS A 408 -4.436 1.867 15.850 1.00 0.34 H new ATOM 0 HB2 CYS A 408 -6.543 0.701 14.741 1.00 24.03 H new ATOM 0 HB3 CYS A 408 -7.282 1.151 16.265 1.00 24.03 H new ATOM 949 N PRO A 409 -4.508 2.478 18.249 1.00 5.10 N ATOM 950 CA PRO A 409 -4.511 2.845 19.655 1.00 55.52 C ATOM 951 C PRO A 409 -5.815 3.551 20.034 1.00 73.15 C ATOM 952 O PRO A 409 -6.001 3.943 21.184 1.00 34.04 O ATOM 953 CB PRO A 409 -3.286 3.726 19.835 1.00 63.03 C ATOM 954 CG PRO A 409 -2.903 4.198 18.441 1.00 14.13 C ATOM 955 CD PRO A 409 -3.656 3.341 17.436 1.00 4.22 C ATOM 0 HA PRO A 409 -4.463 1.979 20.315 1.00 55.52 H new ATOM 0 HB2 PRO A 409 -3.505 4.571 20.487 1.00 63.03 H new ATOM 0 HB3 PRO A 409 -2.470 3.170 20.297 1.00 63.03 H new ATOM 0 HG2 PRO A 409 -3.156 5.250 18.311 1.00 14.13 H new ATOM 0 HG3 PRO A 409 -1.827 4.108 18.289 1.00 14.13 H new ATOM 0 HD2 PRO A 409 -4.248 3.955 16.757 1.00 4.22 H new ATOM 0 HD3 PRO A 409 -2.971 2.756 16.822 1.00 4.22 H new ATOM 963 N PHE A 410 -6.684 3.691 19.043 1.00 33.13 N ATOM 964 CA PHE A 410 -7.965 4.342 19.258 1.00 13.02 C ATOM 965 C PHE A 410 -9.029 3.330 19.689 1.00 53.33 C ATOM 966 O PHE A 410 -9.864 3.627 20.542 1.00 51.10 O ATOM 967 CB PHE A 410 -8.380 4.964 17.923 1.00 34.04 C ATOM 968 CG PHE A 410 -7.885 6.398 17.724 1.00 24.31 C ATOM 969 CD1 PHE A 410 -6.576 6.631 17.437 1.00 21.11 C ATOM 970 CD2 PHE A 410 -8.753 7.439 17.834 1.00 62.23 C ATOM 971 CE1 PHE A 410 -6.116 7.962 17.252 1.00 22.50 C ATOM 972 CE2 PHE A 410 -8.293 8.769 17.649 1.00 43.44 C ATOM 973 CZ PHE A 410 -6.984 9.003 17.362 1.00 60.33 C ATOM 0 H PHE A 410 -6.526 3.365 18.090 1.00 33.13 H new ATOM 0 HA PHE A 410 -7.875 5.091 20.045 1.00 13.02 H new ATOM 0 HB2 PHE A 410 -8.000 4.344 17.111 1.00 34.04 H new ATOM 0 HB3 PHE A 410 -9.468 4.953 17.851 1.00 34.04 H new ATOM 0 HD1 PHE A 410 -5.887 5.804 17.350 1.00 21.11 H new ATOM 0 HD2 PHE A 410 -9.792 7.254 18.062 1.00 62.23 H new ATOM 0 HE1 PHE A 410 -5.077 8.147 17.024 1.00 22.50 H new ATOM 0 HE2 PHE A 410 -8.983 9.596 17.736 1.00 43.44 H new ATOM 0 HZ PHE A 410 -6.634 10.015 17.222 1.00 60.33 H new ATOM 983 N CYS A 411 -8.965 2.156 19.078 1.00 2.15 N ATOM 984 CA CYS A 411 -9.912 1.099 19.388 1.00 73.20 C ATOM 985 C CYS A 411 -9.124 -0.162 19.750 1.00 13.42 C ATOM 986 O CYS A 411 -9.678 -1.260 19.769 1.00 2.14 O ATOM 987 CB CYS A 411 -10.883 0.852 18.231 1.00 43.40 C ATOM 988 SG CYS A 411 -10.212 1.235 16.572 1.00 1.50 S ATOM 0 H CYS A 411 -8.272 1.914 18.370 1.00 2.15 H new ATOM 0 HA CYS A 411 -10.528 1.397 20.236 1.00 73.20 H new ATOM 0 HB2 CYS A 411 -11.191 -0.193 18.251 1.00 43.40 H new ATOM 0 HB3 CYS A 411 -11.779 1.451 18.393 1.00 43.40 H new ATOM 993 N ARG A 412 -7.845 0.039 20.028 1.00 25.24 N ATOM 994 CA ARG A 412 -6.975 -1.068 20.389 1.00 2.00 C ATOM 995 C ARG A 412 -7.310 -2.302 19.548 1.00 4.34 C ATOM 996 O ARG A 412 -7.334 -3.419 20.062 1.00 35.11 O ATOM 997 CB ARG A 412 -7.114 -1.417 21.872 1.00 3.12 C ATOM 998 CG ARG A 412 -5.863 -2.132 22.387 1.00 62.45 C ATOM 999 CD ARG A 412 -4.844 -1.130 22.933 1.00 63.52 C ATOM 1000 NE ARG A 412 -4.123 -1.718 24.084 1.00 35.14 N ATOM 1001 CZ ARG A 412 -3.553 -0.993 25.070 1.00 22.41 C ATOM 1002 NH1 ARG A 412 -3.614 0.355 25.052 1.00 3.12 N ATOM 1003 NH2 ARG A 412 -2.934 -1.623 26.051 1.00 31.05 N ATOM 0 H ARG A 412 -7.390 0.952 20.011 1.00 25.24 H new ATOM 0 HA ARG A 412 -5.948 -0.759 20.195 1.00 2.00 H new ATOM 0 HB2 ARG A 412 -7.281 -0.508 22.449 1.00 3.12 H new ATOM 0 HB3 ARG A 412 -7.987 -2.053 22.019 1.00 3.12 H new ATOM 0 HG2 ARG A 412 -6.140 -2.838 23.170 1.00 62.45 H new ATOM 0 HG3 ARG A 412 -5.413 -2.711 21.581 1.00 62.45 H new ATOM 0 HD2 ARG A 412 -4.136 -0.856 22.151 1.00 63.52 H new ATOM 0 HD3 ARG A 412 -5.350 -0.215 23.239 1.00 63.52 H new ATOM 0 HE ARG A 412 -4.052 -2.734 24.136 1.00 35.14 H new ATOM 0 HH11 ARG A 412 -4.093 0.834 24.290 1.00 3.12 H new ATOM 0 HH12 ARG A 412 -3.181 0.895 25.801 1.00 3.12 H new ATOM 0 HH21 ARG A 412 -2.892 -2.642 26.056 1.00 31.05 H new ATOM 0 HH22 ARG A 412 -2.498 -1.091 26.804 1.00 31.05 H new ATOM 1016 N CYS A 413 -7.559 -2.058 18.270 1.00 5.32 N ATOM 1017 CA CYS A 413 -7.891 -3.135 17.353 1.00 23.05 C ATOM 1018 C CYS A 413 -6.902 -3.095 16.186 1.00 13.44 C ATOM 1019 O CYS A 413 -6.541 -2.019 15.711 1.00 32.11 O ATOM 1020 CB CYS A 413 -9.341 -3.044 16.876 1.00 35.41 C ATOM 1021 SG CYS A 413 -9.829 -4.606 16.056 1.00 51.12 S ATOM 0 H CYS A 413 -7.537 -1.130 17.848 1.00 5.32 H new ATOM 0 HA CYS A 413 -7.806 -4.093 17.867 1.00 23.05 H new ATOM 0 HB2 CYS A 413 -9.999 -2.847 17.722 1.00 35.41 H new ATOM 0 HB3 CYS A 413 -9.453 -2.210 16.184 1.00 35.41 H new ATOM 0 HG CYS A 413 -11.063 -4.519 15.657 1.00 51.12 H new ATOM 1027 N GLU A 414 -6.493 -4.280 15.758 1.00 4.42 N ATOM 1028 CA GLU A 414 -5.553 -4.393 14.656 1.00 61.13 C ATOM 1029 C GLU A 414 -5.990 -3.502 13.492 1.00 52.34 C ATOM 1030 O GLU A 414 -7.164 -3.153 13.379 1.00 34.02 O ATOM 1031 CB GLU A 414 -5.407 -5.849 14.207 1.00 12.51 C ATOM 1032 CG GLU A 414 -4.256 -6.003 13.212 1.00 45.12 C ATOM 1033 CD GLU A 414 -2.958 -5.424 13.780 1.00 32.44 C ATOM 1034 OE1 GLU A 414 -2.728 -5.497 14.997 1.00 41.43 O ATOM 1035 OE2 GLU A 414 -2.174 -4.885 12.910 1.00 62.45 O ATOM 0 H GLU A 414 -6.795 -5.170 16.154 1.00 4.42 H new ATOM 0 HA GLU A 414 -4.576 -4.054 15.001 1.00 61.13 H new ATOM 0 HB2 GLU A 414 -5.230 -6.485 15.075 1.00 12.51 H new ATOM 0 HB3 GLU A 414 -6.336 -6.187 13.749 1.00 12.51 H new ATOM 0 HG2 GLU A 414 -4.115 -7.057 12.975 1.00 45.12 H new ATOM 0 HG3 GLU A 414 -4.507 -5.497 12.280 1.00 45.12 H new ATOM 1043 N ILE A 415 -5.022 -3.158 12.655 1.00 71.52 N ATOM 1044 CA ILE A 415 -5.292 -2.314 11.503 1.00 34.43 C ATOM 1045 C ILE A 415 -5.122 -3.135 10.223 1.00 21.35 C ATOM 1046 O ILE A 415 -4.395 -4.127 10.210 1.00 30.53 O ATOM 1047 CB ILE A 415 -4.424 -1.055 11.547 1.00 75.25 C ATOM 1048 CG1 ILE A 415 -4.163 -0.619 12.990 1.00 41.25 C ATOM 1049 CG2 ILE A 415 -5.045 0.067 10.712 1.00 43.13 C ATOM 1050 CD1 ILE A 415 -3.200 0.569 13.037 1.00 3.11 C ATOM 0 H ILE A 415 -4.049 -3.449 12.752 1.00 71.52 H new ATOM 0 HA ILE A 415 -6.324 -1.963 11.521 1.00 34.43 H new ATOM 0 HB ILE A 415 -3.457 -1.290 11.103 1.00 75.25 H new ATOM 0 HG12 ILE A 415 -5.104 -0.348 13.468 1.00 41.25 H new ATOM 0 HG13 ILE A 415 -3.746 -1.452 13.556 1.00 41.25 H new ATOM 0 HG21 ILE A 415 -4.409 0.951 10.760 1.00 43.13 H new ATOM 0 HG22 ILE A 415 -5.137 -0.259 9.676 1.00 43.13 H new ATOM 0 HG23 ILE A 415 -6.032 0.309 11.105 1.00 43.13 H new ATOM 0 HD11 ILE A 415 -3.031 0.860 14.074 1.00 3.11 H new ATOM 0 HD12 ILE A 415 -2.252 0.287 12.580 1.00 3.11 H new ATOM 0 HD13 ILE A 415 -3.631 1.408 12.491 1.00 3.11 H new ATOM 1062 N LYS A 416 -5.804 -2.691 9.178 1.00 12.03 N ATOM 1063 CA LYS A 416 -5.737 -3.372 7.896 1.00 33.05 C ATOM 1064 C LYS A 416 -5.218 -2.401 6.834 1.00 11.13 C ATOM 1065 O LYS A 416 -4.341 -2.749 6.045 1.00 32.22 O ATOM 1066 CB LYS A 416 -7.091 -3.996 7.550 1.00 23.11 C ATOM 1067 CG LYS A 416 -7.827 -4.445 8.814 1.00 63.50 C ATOM 1068 CD LYS A 416 -7.108 -5.621 9.479 1.00 64.14 C ATOM 1069 CE LYS A 416 -8.079 -6.456 10.315 1.00 72.21 C ATOM 1070 NZ LYS A 416 -7.644 -7.870 10.357 1.00 23.11 N ATOM 0 H LYS A 416 -6.406 -1.868 9.193 1.00 12.03 H new ATOM 0 HA LYS A 416 -5.032 -4.202 7.941 1.00 33.05 H new ATOM 0 HB2 LYS A 416 -7.700 -3.273 7.007 1.00 23.11 H new ATOM 0 HB3 LYS A 416 -6.944 -4.849 6.888 1.00 23.11 H new ATOM 0 HG2 LYS A 416 -7.895 -3.613 9.514 1.00 63.50 H new ATOM 0 HG3 LYS A 416 -8.847 -4.734 8.562 1.00 63.50 H new ATOM 0 HD2 LYS A 416 -6.647 -6.248 8.716 1.00 64.14 H new ATOM 0 HD3 LYS A 416 -6.304 -5.248 10.114 1.00 64.14 H new ATOM 0 HE2 LYS A 416 -8.133 -6.056 11.327 1.00 72.21 H new ATOM 0 HE3 LYS A 416 -9.081 -6.390 9.892 1.00 72.21 H new ATOM 0 HZ1 LYS A 416 -8.314 -8.423 10.929 1.00 23.11 H new ATOM 0 HZ2 LYS A 416 -7.615 -8.253 9.391 1.00 23.11 H new ATOM 0 HZ3 LYS A 416 -6.696 -7.929 10.781 1.00 23.11 H new ATOM 1083 N GLY A 417 -5.782 -1.202 6.849 1.00 45.23 N ATOM 1084 CA GLY A 417 -5.386 -0.178 5.896 1.00 14.25 C ATOM 1085 C GLY A 417 -4.740 1.012 6.608 1.00 45.30 C ATOM 1086 O GLY A 417 -5.267 1.507 7.603 1.00 31.20 O ATOM 0 H GLY A 417 -6.509 -0.917 7.505 1.00 45.23 H new ATOM 0 HA2 GLY A 417 -4.686 -0.599 5.174 1.00 14.25 H new ATOM 0 HA3 GLY A 417 -6.258 0.159 5.335 1.00 14.25 H new ATOM 1090 N THR A 418 -3.606 1.438 6.070 1.00 60.31 N ATOM 1091 CA THR A 418 -2.882 2.560 6.641 1.00 45.42 C ATOM 1092 C THR A 418 -1.977 3.203 5.587 1.00 32.22 C ATOM 1093 O THR A 418 -1.060 2.562 5.077 1.00 60.51 O ATOM 1094 CB THR A 418 -2.121 2.057 7.869 1.00 22.20 C ATOM 1095 OG1 THR A 418 -1.461 0.880 7.410 1.00 34.25 O ATOM 1096 CG2 THR A 418 -3.055 1.555 8.971 1.00 35.35 C ATOM 0 H THR A 418 -3.171 1.026 5.245 1.00 60.31 H new ATOM 0 HA THR A 418 -3.564 3.347 6.963 1.00 45.42 H new ATOM 0 HB THR A 418 -1.495 2.858 8.261 1.00 22.20 H new ATOM 0 HG1 THR A 418 -1.101 1.036 6.512 1.00 34.25 H new ATOM 0 HG21 THR A 418 -2.464 1.210 9.819 1.00 35.35 H new ATOM 0 HG22 THR A 418 -3.709 2.366 9.291 1.00 35.35 H new ATOM 0 HG23 THR A 418 -3.658 0.731 8.589 1.00 35.35 H new ATOM 1104 N GLU A 419 -2.267 4.462 5.293 1.00 74.53 N ATOM 1105 CA GLU A 419 -1.492 5.198 4.309 1.00 22.10 C ATOM 1106 C GLU A 419 -1.372 6.667 4.719 1.00 1.02 C ATOM 1107 O GLU A 419 -2.249 7.199 5.397 1.00 11.53 O ATOM 1108 CB GLU A 419 -2.108 5.067 2.915 1.00 71.41 C ATOM 1109 CG GLU A 419 -3.524 5.646 2.884 1.00 3.43 C ATOM 1110 CD GLU A 419 -4.544 4.629 3.398 1.00 72.43 C ATOM 1111 OE1 GLU A 419 -5.468 4.997 4.138 1.00 34.20 O ATOM 1112 OE2 GLU A 419 -4.353 3.416 3.000 1.00 4.44 O ATOM 0 H GLU A 419 -3.028 4.991 5.719 1.00 74.53 H new ATOM 0 HA GLU A 419 -0.491 4.769 4.269 1.00 22.10 H new ATOM 0 HB2 GLU A 419 -1.483 5.585 2.187 1.00 71.41 H new ATOM 0 HB3 GLU A 419 -2.134 4.017 2.622 1.00 71.41 H new ATOM 0 HG2 GLU A 419 -3.565 6.548 3.495 1.00 3.43 H new ATOM 0 HG3 GLU A 419 -3.779 5.939 1.865 1.00 3.43 H new ATOM 1120 N PRO A 420 -0.250 7.297 4.279 1.00 24.14 N ATOM 1121 CA PRO A 420 -0.004 8.694 4.594 1.00 64.04 C ATOM 1122 C PRO A 420 -0.891 9.611 3.749 1.00 61.51 C ATOM 1123 O PRO A 420 -0.597 9.861 2.581 1.00 30.10 O ATOM 1124 CB PRO A 420 1.480 8.900 4.335 1.00 51.11 C ATOM 1125 CG PRO A 420 1.913 7.745 3.447 1.00 33.41 C ATOM 1126 CD PRO A 420 0.811 6.698 3.474 1.00 32.13 C ATOM 0 HA PRO A 420 -0.253 8.943 5.625 1.00 64.04 H new ATOM 0 HB2 PRO A 420 1.662 9.857 3.847 1.00 51.11 H new ATOM 0 HB3 PRO A 420 2.042 8.907 5.269 1.00 51.11 H new ATOM 0 HG2 PRO A 420 2.086 8.091 2.428 1.00 33.41 H new ATOM 0 HG3 PRO A 420 2.852 7.321 3.803 1.00 33.41 H new ATOM 0 HD2 PRO A 420 0.461 6.465 2.468 1.00 32.13 H new ATOM 0 HD3 PRO A 420 1.162 5.764 3.913 1.00 32.13 H new ATOM 1134 N ILE A 421 -1.959 10.086 4.372 1.00 3.25 N ATOM 1135 CA ILE A 421 -2.891 10.970 3.693 1.00 63.33 C ATOM 1136 C ILE A 421 -2.679 12.403 4.185 1.00 75.10 C ATOM 1137 O ILE A 421 -1.964 12.629 5.160 1.00 50.14 O ATOM 1138 CB ILE A 421 -4.326 10.467 3.861 1.00 21.23 C ATOM 1139 CG1 ILE A 421 -4.953 11.019 5.143 1.00 54.11 C ATOM 1140 CG2 ILE A 421 -4.381 8.939 3.809 1.00 71.35 C ATOM 1141 CD1 ILE A 421 -5.631 12.366 4.885 1.00 54.21 C ATOM 0 H ILE A 421 -2.200 9.875 5.340 1.00 3.25 H new ATOM 0 HA ILE A 421 -2.702 10.971 2.619 1.00 63.33 H new ATOM 0 HB ILE A 421 -4.919 10.839 3.025 1.00 21.23 H new ATOM 0 HG12 ILE A 421 -5.683 10.308 5.530 1.00 54.11 H new ATOM 0 HG13 ILE A 421 -4.185 11.135 5.907 1.00 54.11 H new ATOM 0 HG21 ILE A 421 -5.412 8.608 3.931 1.00 71.35 H new ATOM 0 HG22 ILE A 421 -4.000 8.594 2.848 1.00 71.35 H new ATOM 0 HG23 ILE A 421 -3.770 8.525 4.611 1.00 71.35 H new ATOM 0 HD11 ILE A 421 -6.069 12.737 5.812 1.00 54.21 H new ATOM 0 HD12 ILE A 421 -4.893 13.081 4.521 1.00 54.21 H new ATOM 0 HD13 ILE A 421 -6.415 12.242 4.138 1.00 54.21 H new ATOM 1153 N ILE A 422 -3.315 13.334 3.488 1.00 31.54 N ATOM 1154 CA ILE A 422 -3.206 14.739 3.842 1.00 22.44 C ATOM 1155 C ILE A 422 -4.606 15.318 4.050 1.00 15.13 C ATOM 1156 O ILE A 422 -5.333 15.555 3.087 1.00 53.42 O ATOM 1157 CB ILE A 422 -2.378 15.491 2.799 1.00 5.11 C ATOM 1158 CG1 ILE A 422 -1.006 14.839 2.614 1.00 4.42 C ATOM 1159 CG2 ILE A 422 -2.264 16.975 3.155 1.00 31.23 C ATOM 1160 CD1 ILE A 422 -0.066 15.754 1.825 1.00 31.33 C ATOM 0 H ILE A 422 -3.907 13.142 2.680 1.00 31.54 H new ATOM 0 HA ILE A 422 -2.670 14.854 4.784 1.00 22.44 H new ATOM 0 HB ILE A 422 -2.896 15.428 1.842 1.00 5.11 H new ATOM 0 HG12 ILE A 422 -0.570 14.617 3.588 1.00 4.42 H new ATOM 0 HG13 ILE A 422 -1.118 13.889 2.091 1.00 4.42 H new ATOM 0 HG21 ILE A 422 -1.670 17.486 2.397 1.00 31.23 H new ATOM 0 HG22 ILE A 422 -3.260 17.417 3.195 1.00 31.23 H new ATOM 0 HG23 ILE A 422 -1.781 17.080 4.126 1.00 31.23 H new ATOM 0 HD11 ILE A 422 0.902 15.267 1.708 1.00 31.33 H new ATOM 0 HD12 ILE A 422 -0.493 15.954 0.842 1.00 31.33 H new ATOM 0 HD13 ILE A 422 0.063 16.693 2.363 1.00 31.33 H new ATOM 1172 N VAL A 423 -4.943 15.529 5.314 1.00 11.32 N ATOM 1173 CA VAL A 423 -6.244 16.077 5.661 1.00 63.41 C ATOM 1174 C VAL A 423 -6.235 17.588 5.426 1.00 52.43 C ATOM 1175 O VAL A 423 -5.233 18.254 5.681 1.00 12.33 O ATOM 1176 CB VAL A 423 -6.605 15.697 7.099 1.00 42.25 C ATOM 1177 CG1 VAL A 423 -8.076 15.998 7.392 1.00 60.12 C ATOM 1178 CG2 VAL A 423 -6.279 14.228 7.376 1.00 13.31 C ATOM 0 H VAL A 423 -4.338 15.330 6.111 1.00 11.32 H new ATOM 0 HA VAL A 423 -7.020 15.654 5.023 1.00 63.41 H new ATOM 0 HB VAL A 423 -5.999 16.306 7.769 1.00 42.25 H new ATOM 0 HG11 VAL A 423 -8.307 15.719 8.420 1.00 60.12 H new ATOM 0 HG12 VAL A 423 -8.264 17.063 7.254 1.00 60.12 H new ATOM 0 HG13 VAL A 423 -8.707 15.427 6.711 1.00 60.12 H new ATOM 0 HG21 VAL A 423 -6.545 13.984 8.404 1.00 13.31 H new ATOM 0 HG22 VAL A 423 -6.847 13.595 6.694 1.00 13.31 H new ATOM 0 HG23 VAL A 423 -5.213 14.058 7.227 1.00 13.31 H new ATOM 1188 N ASP A 424 -7.364 18.086 4.941 1.00 25.02 N ATOM 1189 CA ASP A 424 -7.499 19.507 4.669 1.00 64.13 C ATOM 1190 C ASP A 424 -8.759 20.036 5.355 1.00 35.23 C ATOM 1191 O ASP A 424 -9.771 19.340 5.425 1.00 73.15 O ATOM 1192 CB ASP A 424 -7.632 19.769 3.167 1.00 14.44 C ATOM 1193 CG ASP A 424 -6.308 19.914 2.416 1.00 64.23 C ATOM 1194 OD1 ASP A 424 -5.598 18.925 2.176 1.00 54.33 O ATOM 1195 OD2 ASP A 424 -6.007 21.119 2.067 1.00 74.13 O ATOM 0 H ASP A 424 -8.193 17.531 4.730 1.00 25.02 H new ATOM 0 HA ASP A 424 -6.608 20.009 5.046 1.00 64.13 H new ATOM 0 HB2 ASP A 424 -8.198 18.952 2.720 1.00 14.44 H new ATOM 0 HB3 ASP A 424 -8.216 20.678 3.022 1.00 14.44 H new ATOM 1201 N PRO A 425 -8.655 21.295 5.858 1.00 23.15 N ATOM 1202 CA PRO A 425 -9.774 21.925 6.537 1.00 11.22 C ATOM 1203 C PRO A 425 -10.839 22.377 5.535 1.00 22.15 C ATOM 1204 O PRO A 425 -10.653 22.248 4.326 1.00 11.14 O ATOM 1205 CB PRO A 425 -9.163 23.079 7.316 1.00 52.05 C ATOM 1206 CG PRO A 425 -7.806 23.337 6.681 1.00 11.34 C ATOM 1207 CD PRO A 425 -7.472 22.149 5.795 1.00 71.31 C ATOM 0 HA PRO A 425 -10.297 21.243 7.207 1.00 11.22 H new ATOM 0 HB2 PRO A 425 -9.795 23.965 7.261 1.00 52.05 H new ATOM 0 HB3 PRO A 425 -9.059 22.826 8.371 1.00 52.05 H new ATOM 0 HG2 PRO A 425 -7.827 24.256 6.095 1.00 11.34 H new ATOM 0 HG3 PRO A 425 -7.044 23.466 7.449 1.00 11.34 H new ATOM 0 HD2 PRO A 425 -7.265 22.464 4.772 1.00 71.31 H new ATOM 0 HD3 PRO A 425 -6.586 21.625 6.153 1.00 71.31 H new ATOM 1215 N PHE A 426 -11.931 22.897 6.076 1.00 50.13 N ATOM 1216 CA PHE A 426 -13.025 23.369 5.244 1.00 35.24 C ATOM 1217 C PHE A 426 -12.636 24.646 4.498 1.00 42.22 C ATOM 1218 O PHE A 426 -13.078 25.737 4.854 1.00 13.11 O ATOM 1219 CB PHE A 426 -14.197 23.676 6.179 1.00 30.22 C ATOM 1220 CG PHE A 426 -15.378 24.364 5.492 1.00 42.43 C ATOM 1221 CD1 PHE A 426 -15.620 24.142 4.172 1.00 32.00 C ATOM 1222 CD2 PHE A 426 -16.185 25.199 6.200 1.00 22.11 C ATOM 1223 CE1 PHE A 426 -16.716 24.781 3.534 1.00 41.00 C ATOM 1224 CE2 PHE A 426 -17.281 25.838 5.562 1.00 44.10 C ATOM 1225 CZ PHE A 426 -17.523 25.616 4.242 1.00 20.43 C ATOM 0 H PHE A 426 -12.082 23.002 7.079 1.00 50.13 H new ATOM 0 HA PHE A 426 -13.282 22.612 4.503 1.00 35.24 H new ATOM 0 HB2 PHE A 426 -14.543 22.745 6.628 1.00 30.22 H new ATOM 0 HB3 PHE A 426 -13.843 24.310 6.992 1.00 30.22 H new ATOM 0 HD1 PHE A 426 -14.979 23.480 3.609 1.00 32.00 H new ATOM 0 HD2 PHE A 426 -15.992 25.376 7.248 1.00 22.11 H new ATOM 0 HE1 PHE A 426 -16.909 24.604 2.486 1.00 41.00 H new ATOM 0 HE2 PHE A 426 -17.922 26.500 6.125 1.00 44.10 H new ATOM 0 HZ PHE A 426 -18.356 26.103 3.756 1.00 20.43 H new TER 1235 PHE A 426 HETATM 1236 ZN ZN A1373 -0.688 12.307 18.354 1.00 71.15 ZN HETATM 1237 ZN ZN A1388 -9.029 2.806 15.291 1.00 62.11 ZN