USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 705 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 396 GLN : amide:sc= -0.245 X(o=-0.17,f=0.059) USER MOD Set 1.2: A 415 HIS : no HE2:sc= 0.0794 K(o=-0.17,f=-3.8!) USER MOD Set 2.1: A 391 THR OG1 : rot -64:sc= -1.41! USER MOD Set 2.2: A 393 HIS : no HD1:sc= -0.795 X(o=-2.2,f=-2.5) USER MOD Set 3.1: A 378 ASN : amide:sc= -5.17! K(o=-4.8!,f=-2.2) USER MOD Set 3.2: A 383 TYR OH : rot 180:sc= 0.359 USER MOD Single : A 364 SER OG : rot -12:sc= 0.85 USER MOD Single : A 365 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-4.1!) USER MOD Single : A 366 MET CE :methyl -160:sc= -2.03! (180deg=-2.6!) USER MOD Single : A 370 MET CE :methyl 160:sc= -0.154 (180deg=-0.833) USER MOD Single : A 371 GLN : amide:sc=-0.000615 K(o=-0.00061,f=0.73) USER MOD Single : A 372 LYS NZ :NH3+ -165:sc= -0.0201 (180deg=-0.293) USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 165:sc= -0.0305 (180deg=-0.322) USER MOD Single : A 399 GLN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : A 403 THR OG1 : rot 180:sc= -1.58 USER MOD Single : A 405 ASN : amide:sc= -4.48! K(o=-4.5!,f=-1.3) USER MOD Single : A 412 TYR OH : rot 100:sc= 0 USER MOD Single : A 413 TYR OH : rot -97:sc= 0.164 USER MOD Single : A 416 TYR OH : rot 60:sc= -1.69 USER MOD Single : A 420 ASN : amide:sc= -0.0915 X(o=-0.091,f=-0.088) USER MOD Single : A 430 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-5.8!) USER MOD Single : A 433 SER OG : rot 180:sc= -0.127 USER MOD Single : A 435 ASN : amide:sc= -5.98! K(o=-6!,f=-0.86) USER MOD Single : A 443 THR OG1 : rot 54:sc= 0.775 USER MOD Single : A 454 GLN : amide:sc= -0.0571 X(o=-0.057,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 363 5.325 -11.965 7.531 1.00 11.64 N ATOM 2 CA GLY A 363 5.331 -13.300 6.871 1.00 11.03 C ATOM 3 C GLY A 363 5.082 -13.211 5.379 1.00 10.23 C ATOM 4 O GLY A 363 5.622 -12.333 4.706 1.00 10.21 O ATOM 0 HA2 GLY A 363 6.291 -13.785 7.048 1.00 11.03 H new ATOM 0 HA3 GLY A 363 4.567 -13.930 7.327 1.00 11.03 H new ATOM 10 N SER A 364 4.258 -14.120 4.863 1.00 9.80 N ATOM 11 CA SER A 364 3.934 -14.146 3.440 1.00 9.25 C ATOM 12 C SER A 364 2.700 -15.005 3.180 1.00 8.36 C ATOM 13 O SER A 364 1.802 -14.610 2.436 1.00 8.24 O ATOM 14 CB SER A 364 5.114 -14.686 2.628 1.00 9.60 C ATOM 15 OG SER A 364 6.254 -13.856 2.759 1.00 9.86 O ATOM 0 H SER A 364 3.802 -14.849 5.411 1.00 9.80 H new ATOM 0 HA SER A 364 3.724 -13.123 3.128 1.00 9.25 H new ATOM 0 HB2 SER A 364 5.356 -15.695 2.962 1.00 9.60 H new ATOM 0 HB3 SER A 364 4.833 -14.757 1.577 1.00 9.60 H new ATOM 0 HG SER A 364 5.998 -13.014 3.190 1.00 9.86 H new ATOM 21 N HIS A 365 2.664 -16.182 3.798 1.00 7.98 N ATOM 22 CA HIS A 365 1.542 -17.099 3.634 1.00 7.35 C ATOM 23 C HIS A 365 0.251 -16.472 4.149 1.00 6.30 C ATOM 24 O HIS A 365 0.245 -15.806 5.185 1.00 6.44 O ATOM 25 CB HIS A 365 1.816 -18.417 4.366 1.00 7.88 C ATOM 26 CG HIS A 365 1.886 -18.284 5.858 1.00 7.65 C ATOM 27 ND1 HIS A 365 0.812 -17.889 6.631 1.00 7.18 N ATOM 28 CD2 HIS A 365 2.907 -18.498 6.722 1.00 8.07 C ATOM 29 CE1 HIS A 365 1.170 -17.865 7.902 1.00 7.26 C ATOM 30 NE2 HIS A 365 2.436 -18.231 7.984 1.00 7.79 N ATOM 0 H HIS A 365 3.400 -16.523 4.417 1.00 7.98 H new ATOM 0 HA HIS A 365 1.426 -17.305 2.570 1.00 7.35 H new ATOM 0 HB2 HIS A 365 1.033 -19.131 4.112 1.00 7.88 H new ATOM 0 HB3 HIS A 365 2.756 -18.833 4.004 1.00 7.88 H new ATOM 0 HD2 HIS A 365 3.906 -18.819 6.466 1.00 8.07 H new ATOM 0 HE1 HIS A 365 0.536 -17.593 8.732 1.00 7.26 H new ATOM 0 HE2 HIS A 365 2.977 -18.304 8.846 1.00 7.79 H new ATOM 39 N MET A 366 -0.840 -16.688 3.424 1.00 5.51 N ATOM 40 CA MET A 366 -2.131 -16.142 3.821 1.00 4.67 C ATOM 41 C MET A 366 -2.615 -16.803 5.106 1.00 4.56 C ATOM 42 O MET A 366 -2.660 -18.031 5.204 1.00 4.71 O ATOM 43 CB MET A 366 -3.163 -16.342 2.710 1.00 4.15 C ATOM 44 CG MET A 366 -2.787 -15.660 1.406 1.00 3.72 C ATOM 45 SD MET A 366 -4.028 -15.893 0.119 1.00 3.31 S ATOM 46 CE MET A 366 -3.272 -15.008 -1.241 1.00 2.76 C ATOM 0 H MET A 366 -0.857 -17.234 2.563 1.00 5.51 H new ATOM 0 HA MET A 366 -2.010 -15.073 3.998 1.00 4.67 H new ATOM 0 HB2 MET A 366 -3.289 -17.410 2.530 1.00 4.15 H new ATOM 0 HB3 MET A 366 -4.127 -15.960 3.047 1.00 4.15 H new ATOM 0 HG2 MET A 366 -2.650 -14.594 1.584 1.00 3.72 H new ATOM 0 HG3 MET A 366 -1.831 -16.051 1.058 1.00 3.72 H new ATOM 0 HE1 MET A 366 -4.034 -14.751 -1.977 1.00 2.76 H new ATOM 0 HE2 MET A 366 -2.806 -14.096 -0.868 1.00 2.76 H new ATOM 0 HE3 MET A 366 -2.514 -15.637 -1.708 1.00 2.76 H new ATOM 56 N ASP A 367 -2.976 -15.987 6.089 1.00 4.67 N ATOM 57 CA ASP A 367 -3.458 -16.499 7.365 1.00 4.80 C ATOM 58 C ASP A 367 -4.792 -17.219 7.190 1.00 4.50 C ATOM 59 O ASP A 367 -5.675 -16.732 6.485 1.00 4.10 O ATOM 60 CB ASP A 367 -3.608 -15.359 8.373 1.00 4.92 C ATOM 61 CG ASP A 367 -2.294 -14.652 8.653 1.00 5.55 C ATOM 62 OD1 ASP A 367 -1.268 -15.055 8.066 1.00 6.06 O ATOM 63 OD2 ASP A 367 -2.292 -13.697 9.458 1.00 5.80 O ATOM 0 H ASP A 367 -2.944 -14.969 6.027 1.00 4.67 H new ATOM 0 HA ASP A 367 -2.726 -17.213 7.743 1.00 4.80 H new ATOM 0 HB2 ASP A 367 -4.332 -14.637 7.995 1.00 4.92 H new ATOM 0 HB3 ASP A 367 -4.010 -15.754 9.306 1.00 4.92 H new ATOM 68 N PRO A 368 -4.959 -18.393 7.828 1.00 4.98 N ATOM 69 CA PRO A 368 -6.199 -19.172 7.733 1.00 5.12 C ATOM 70 C PRO A 368 -7.336 -18.557 8.546 1.00 5.15 C ATOM 71 O PRO A 368 -8.132 -19.271 9.155 1.00 5.66 O ATOM 72 CB PRO A 368 -5.802 -20.530 8.311 1.00 5.90 C ATOM 73 CG PRO A 368 -4.707 -20.222 9.272 1.00 6.16 C ATOM 74 CD PRO A 368 -3.958 -19.053 8.690 1.00 5.69 C ATOM 0 HA PRO A 368 -6.576 -19.219 6.711 1.00 5.12 H new ATOM 0 HB2 PRO A 368 -6.644 -21.010 8.810 1.00 5.90 H new ATOM 0 HB3 PRO A 368 -5.464 -21.210 7.529 1.00 5.90 H new ATOM 0 HG2 PRO A 368 -5.109 -19.977 10.255 1.00 6.16 H new ATOM 0 HG3 PRO A 368 -4.049 -21.081 9.402 1.00 6.16 H new ATOM 0 HD2 PRO A 368 -3.595 -18.382 9.468 1.00 5.69 H new ATOM 0 HD3 PRO A 368 -3.089 -19.378 8.118 1.00 5.69 H new ATOM 82 N LEU A 369 -7.396 -17.229 8.558 1.00 4.84 N ATOM 83 CA LEU A 369 -8.415 -16.513 9.299 1.00 5.12 C ATOM 84 C LEU A 369 -8.519 -15.062 8.834 1.00 4.61 C ATOM 85 O LEU A 369 -9.317 -14.287 9.364 1.00 4.91 O ATOM 86 CB LEU A 369 -8.086 -16.578 10.788 1.00 5.80 C ATOM 87 CG LEU A 369 -6.668 -16.139 11.183 1.00 6.34 C ATOM 88 CD1 LEU A 369 -6.463 -14.646 10.963 1.00 6.73 C ATOM 89 CD2 LEU A 369 -6.387 -16.506 12.632 1.00 6.94 C ATOM 0 H LEU A 369 -6.742 -16.627 8.057 1.00 4.84 H new ATOM 0 HA LEU A 369 -9.382 -16.983 9.117 1.00 5.12 H new ATOM 0 HB2 LEU A 369 -8.801 -15.955 11.326 1.00 5.80 H new ATOM 0 HB3 LEU A 369 -8.236 -17.602 11.129 1.00 5.80 H new ATOM 0 HG LEU A 369 -5.964 -16.668 10.540 1.00 6.34 H new ATOM 0 HD11 LEU A 369 -5.449 -14.371 11.253 1.00 6.73 H new ATOM 0 HD12 LEU A 369 -6.616 -14.409 9.910 1.00 6.73 H new ATOM 0 HD13 LEU A 369 -7.177 -14.088 11.568 1.00 6.73 H new ATOM 0 HD21 LEU A 369 -5.379 -16.189 12.899 1.00 6.94 H new ATOM 0 HD22 LEU A 369 -7.107 -16.007 13.280 1.00 6.94 H new ATOM 0 HD23 LEU A 369 -6.473 -17.585 12.757 1.00 6.94 H new ATOM 101 N MET A 370 -7.702 -14.703 7.847 1.00 4.12 N ATOM 102 CA MET A 370 -7.691 -13.344 7.315 1.00 3.87 C ATOM 103 C MET A 370 -6.763 -13.244 6.105 1.00 3.02 C ATOM 104 O MET A 370 -5.727 -12.579 6.158 1.00 3.06 O ATOM 105 CB MET A 370 -7.251 -12.356 8.402 1.00 4.63 C ATOM 106 CG MET A 370 -7.285 -10.901 7.962 1.00 5.03 C ATOM 107 SD MET A 370 -6.755 -9.769 9.263 1.00 5.63 S ATOM 108 CE MET A 370 -5.083 -10.342 9.552 1.00 5.52 C ATOM 0 H MET A 370 -7.039 -15.335 7.399 1.00 4.12 H new ATOM 0 HA MET A 370 -8.702 -13.092 6.994 1.00 3.87 H new ATOM 0 HB2 MET A 370 -7.896 -12.477 9.272 1.00 4.63 H new ATOM 0 HB3 MET A 370 -6.238 -12.606 8.718 1.00 4.63 H new ATOM 0 HG2 MET A 370 -6.642 -10.774 7.091 1.00 5.03 H new ATOM 0 HG3 MET A 370 -8.297 -10.643 7.651 1.00 5.03 H new ATOM 0 HE1 MET A 370 -4.510 -9.558 10.046 1.00 5.52 H new ATOM 0 HE2 MET A 370 -5.107 -11.229 10.186 1.00 5.52 H new ATOM 0 HE3 MET A 370 -4.613 -10.589 8.600 1.00 5.52 H new ATOM 118 N GLN A 371 -7.134 -13.915 5.017 1.00 2.80 N ATOM 119 CA GLN A 371 -6.328 -13.902 3.799 1.00 2.63 C ATOM 120 C GLN A 371 -6.522 -12.603 3.024 1.00 2.21 C ATOM 121 O GLN A 371 -6.512 -12.592 1.792 1.00 2.80 O ATOM 122 CB GLN A 371 -6.681 -15.099 2.916 1.00 3.46 C ATOM 123 CG GLN A 371 -6.524 -16.439 3.614 1.00 3.91 C ATOM 124 CD GLN A 371 -6.885 -17.610 2.721 1.00 4.54 C ATOM 125 OE1 GLN A 371 -6.263 -17.827 1.681 1.00 4.97 O ATOM 126 NE2 GLN A 371 -7.898 -18.369 3.121 1.00 5.04 N ATOM 0 H GLN A 371 -7.985 -14.473 4.954 1.00 2.80 H new ATOM 0 HA GLN A 371 -5.280 -13.971 4.089 1.00 2.63 H new ATOM 0 HB2 GLN A 371 -7.711 -14.996 2.574 1.00 3.46 H new ATOM 0 HB3 GLN A 371 -6.047 -15.085 2.029 1.00 3.46 H new ATOM 0 HG2 GLN A 371 -5.494 -16.549 3.952 1.00 3.91 H new ATOM 0 HG3 GLN A 371 -7.155 -16.457 4.503 1.00 3.91 H new ATOM 0 HE21 GLN A 371 -8.385 -18.152 3.990 1.00 5.04 H new ATOM 0 HE22 GLN A 371 -8.189 -19.169 2.559 1.00 5.04 H new ATOM 135 N LYS A 372 -6.691 -11.512 3.764 1.00 1.82 N ATOM 136 CA LYS A 372 -6.888 -10.192 3.185 1.00 1.77 C ATOM 137 C LYS A 372 -7.118 -9.161 4.286 1.00 1.50 C ATOM 138 O LYS A 372 -7.783 -9.447 5.283 1.00 1.89 O ATOM 139 CB LYS A 372 -8.068 -10.219 2.212 1.00 2.26 C ATOM 140 CG LYS A 372 -9.420 -10.496 2.857 1.00 2.93 C ATOM 141 CD LYS A 372 -10.058 -9.230 3.412 1.00 3.98 C ATOM 142 CE LYS A 372 -11.419 -9.516 4.027 1.00 4.77 C ATOM 143 NZ LYS A 372 -12.371 -10.074 3.029 1.00 5.39 N ATOM 0 H LYS A 372 -6.695 -11.521 4.784 1.00 1.82 H new ATOM 0 HA LYS A 372 -5.991 -9.908 2.634 1.00 1.77 H new ATOM 0 HB2 LYS A 372 -8.117 -9.261 1.695 1.00 2.26 H new ATOM 0 HB3 LYS A 372 -7.879 -10.980 1.455 1.00 2.26 H new ATOM 0 HG2 LYS A 372 -10.087 -10.946 2.121 1.00 2.93 H new ATOM 0 HG3 LYS A 372 -9.296 -11.222 3.661 1.00 2.93 H new ATOM 0 HD2 LYS A 372 -9.403 -8.791 4.164 1.00 3.98 H new ATOM 0 HD3 LYS A 372 -10.165 -8.495 2.614 1.00 3.98 H new ATOM 0 HE2 LYS A 372 -11.304 -10.219 4.852 1.00 4.77 H new ATOM 0 HE3 LYS A 372 -11.829 -8.597 4.446 1.00 4.77 H new ATOM 0 HZ1 LYS A 372 -13.339 -10.019 3.404 1.00 5.39 H new ATOM 0 HZ2 LYS A 372 -12.310 -9.526 2.147 1.00 5.39 H new ATOM 0 HZ3 LYS A 372 -12.130 -11.067 2.837 1.00 5.39 H new ATOM 157 N ILE A 373 -6.565 -7.967 4.109 1.00 1.42 N ATOM 158 CA ILE A 373 -6.723 -6.909 5.099 1.00 1.22 C ATOM 159 C ILE A 373 -8.193 -6.539 5.265 1.00 1.13 C ATOM 160 O ILE A 373 -8.898 -6.300 4.284 1.00 1.20 O ATOM 161 CB ILE A 373 -5.922 -5.646 4.717 1.00 1.16 C ATOM 162 CG1 ILE A 373 -4.426 -5.968 4.648 1.00 1.40 C ATOM 163 CG2 ILE A 373 -6.184 -4.526 5.714 1.00 1.26 C ATOM 164 CD1 ILE A 373 -3.567 -4.784 4.259 1.00 1.48 C ATOM 0 H ILE A 373 -6.007 -7.708 3.295 1.00 1.42 H new ATOM 0 HA ILE A 373 -6.335 -7.295 6.042 1.00 1.22 H new ATOM 0 HB ILE A 373 -6.250 -5.310 3.733 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -4.098 -6.340 5.619 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -4.269 -6.772 3.929 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -5.611 -3.644 5.429 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -7.247 -4.283 5.717 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -5.882 -4.848 6.711 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -2.520 -5.087 4.231 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -3.867 -4.424 3.275 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -3.694 -3.986 4.991 1.00 1.48 H new ATOM 176 N ASP A 374 -8.649 -6.497 6.512 1.00 1.16 N ATOM 177 CA ASP A 374 -10.016 -6.166 6.820 1.00 1.17 C ATOM 178 C ASP A 374 -10.188 -4.659 6.975 1.00 1.03 C ATOM 179 O ASP A 374 -10.405 -4.161 8.078 1.00 1.25 O ATOM 180 CB ASP A 374 -10.407 -6.883 8.102 1.00 1.40 C ATOM 181 CG ASP A 374 -10.691 -8.355 7.882 1.00 1.77 C ATOM 182 OD1 ASP A 374 -9.777 -9.075 7.429 1.00 2.04 O ATOM 183 OD2 ASP A 374 -11.829 -8.789 8.162 1.00 2.17 O ATOM 0 H ASP A 374 -8.073 -6.693 7.331 1.00 1.16 H new ATOM 0 HA ASP A 374 -10.663 -6.486 6.003 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -9.605 -6.777 8.833 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -11.290 -6.406 8.526 1.00 1.40 H new ATOM 188 N ILE A 375 -10.079 -3.944 5.860 1.00 0.84 N ATOM 189 CA ILE A 375 -10.211 -2.488 5.852 1.00 0.76 C ATOM 190 C ILE A 375 -11.412 -2.027 6.666 1.00 0.76 C ATOM 191 O ILE A 375 -11.321 -1.067 7.429 1.00 0.79 O ATOM 192 CB ILE A 375 -10.379 -1.954 4.421 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.214 -2.401 3.541 1.00 0.82 C ATOM 194 CG2 ILE A 375 -10.491 -0.436 4.446 1.00 0.84 C ATOM 195 CD1 ILE A 375 -9.474 -2.200 2.065 1.00 0.92 C ATOM 0 H ILE A 375 -9.898 -4.351 4.943 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.295 -2.096 6.295 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.295 -2.363 3.995 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.319 -1.847 3.825 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.009 -3.455 3.727 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -10.610 -0.063 3.429 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -11.355 -0.145 5.043 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -9.588 -0.012 4.885 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -8.609 -2.537 1.494 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.351 -2.775 1.768 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -9.650 -1.143 1.867 1.00 0.92 H new ATOM 207 N SER A 376 -12.532 -2.712 6.479 1.00 0.79 N ATOM 208 CA SER A 376 -13.772 -2.386 7.174 1.00 0.87 C ATOM 209 C SER A 376 -13.631 -2.560 8.685 1.00 0.96 C ATOM 210 O SER A 376 -14.160 -3.510 9.263 1.00 1.54 O ATOM 211 CB SER A 376 -14.906 -3.261 6.649 1.00 0.95 C ATOM 212 OG SER A 376 -15.201 -2.961 5.297 1.00 1.71 O ATOM 0 H SER A 376 -12.608 -3.507 5.844 1.00 0.79 H new ATOM 0 HA SER A 376 -14.001 -1.338 6.980 1.00 0.87 H new ATOM 0 HB2 SER A 376 -14.630 -4.312 6.739 1.00 0.95 H new ATOM 0 HB3 SER A 376 -15.796 -3.112 7.260 1.00 0.95 H new ATOM 0 HG SER A 376 -15.930 -3.537 4.986 1.00 1.71 H new ATOM 218 N GLU A 377 -12.920 -1.632 9.318 1.00 0.93 N ATOM 219 CA GLU A 377 -12.711 -1.673 10.759 1.00 1.03 C ATOM 220 C GLU A 377 -11.992 -0.416 11.229 1.00 0.87 C ATOM 221 O GLU A 377 -12.200 0.051 12.350 1.00 0.93 O ATOM 222 CB GLU A 377 -11.907 -2.913 11.161 1.00 1.18 C ATOM 223 CG GLU A 377 -10.464 -2.886 10.685 1.00 1.28 C ATOM 224 CD GLU A 377 -9.684 -4.111 11.119 1.00 1.54 C ATOM 225 OE1 GLU A 377 -10.084 -5.234 10.744 1.00 1.92 O ATOM 226 OE2 GLU A 377 -8.672 -3.950 11.834 1.00 1.90 O ATOM 0 H GLU A 377 -12.478 -0.840 8.852 1.00 0.93 H new ATOM 0 HA GLU A 377 -13.689 -1.724 11.238 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -11.920 -3.008 12.247 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -12.397 -3.799 10.758 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.445 -2.814 9.598 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.974 -1.992 11.072 1.00 1.28 H new ATOM 233 N ASN A 378 -11.139 0.125 10.366 1.00 0.71 N ATOM 234 CA ASN A 378 -10.382 1.327 10.694 1.00 0.61 C ATOM 235 C ASN A 378 -10.014 2.121 9.439 1.00 0.58 C ATOM 236 O ASN A 378 -8.837 2.367 9.177 1.00 0.59 O ATOM 237 CB ASN A 378 -9.118 0.960 11.484 1.00 0.62 C ATOM 238 CG ASN A 378 -8.240 -0.066 10.783 1.00 1.15 C ATOM 239 OD1 ASN A 378 -7.342 -0.644 11.394 1.00 1.16 O ATOM 240 ND2 ASN A 378 -8.475 -0.284 9.493 1.00 2.14 N ATOM 0 H ASN A 378 -10.955 -0.249 9.435 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.017 1.962 11.312 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.535 1.864 11.662 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.409 0.571 12.460 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -7.901 -0.950 8.976 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -9.229 0.215 9.021 1.00 2.14 H new ATOM 247 N PRO A 379 -11.017 2.542 8.644 1.00 0.62 N ATOM 248 CA PRO A 379 -10.776 3.317 7.424 1.00 0.65 C ATOM 249 C PRO A 379 -9.914 4.543 7.702 1.00 0.61 C ATOM 250 O PRO A 379 -9.056 4.911 6.899 1.00 0.62 O ATOM 251 CB PRO A 379 -12.179 3.736 6.977 1.00 0.77 C ATOM 252 CG PRO A 379 -13.085 2.714 7.569 1.00 0.85 C ATOM 253 CD PRO A 379 -12.457 2.309 8.874 1.00 0.75 C ATOM 0 HA PRO A 379 -10.238 2.744 6.669 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.425 4.737 7.332 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.259 3.754 5.890 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.083 3.122 7.727 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.192 1.856 6.905 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.834 2.906 9.704 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.663 1.266 9.113 1.00 0.75 H new ATOM 261 N ASP A 380 -10.146 5.161 8.855 1.00 0.62 N ATOM 262 CA ASP A 380 -9.394 6.340 9.262 1.00 0.64 C ATOM 263 C ASP A 380 -7.913 6.009 9.413 1.00 0.55 C ATOM 264 O ASP A 380 -7.050 6.843 9.138 1.00 0.55 O ATOM 265 CB ASP A 380 -9.942 6.892 10.579 1.00 0.75 C ATOM 266 CG ASP A 380 -11.398 7.298 10.473 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.239 6.424 10.172 1.00 1.20 O ATOM 268 OD2 ASP A 380 -11.699 8.491 10.692 1.00 1.21 O ATOM 0 H ASP A 380 -10.853 4.862 9.527 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.504 7.098 8.487 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -9.834 6.138 11.359 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.348 7.754 10.884 1.00 0.75 H new ATOM 273 N LYS A 381 -7.626 4.786 9.858 1.00 0.51 N ATOM 274 CA LYS A 381 -6.248 4.346 10.050 1.00 0.47 C ATOM 275 C LYS A 381 -5.430 4.556 8.778 1.00 0.39 C ATOM 276 O LYS A 381 -5.782 4.058 7.709 1.00 0.37 O ATOM 277 CB LYS A 381 -6.210 2.877 10.469 1.00 0.50 C ATOM 278 CG LYS A 381 -4.807 2.359 10.731 1.00 0.52 C ATOM 279 CD LYS A 381 -4.826 0.967 11.335 1.00 0.59 C ATOM 280 CE LYS A 381 -3.423 0.473 11.635 1.00 0.67 C ATOM 281 NZ LYS A 381 -2.709 1.368 12.589 1.00 1.66 N ATOM 0 H LYS A 381 -8.329 4.085 10.091 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.806 4.947 10.845 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.810 2.748 11.370 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.672 2.273 9.689 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.245 2.343 9.797 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.287 3.041 11.404 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.414 0.975 12.253 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.317 0.278 10.648 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.474 -0.533 12.051 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.856 0.406 10.707 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -1.871 0.879 12.963 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -2.413 2.235 12.096 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.344 1.616 13.374 1.00 1.66 H new ATOM 295 N ILE A 382 -4.340 5.308 8.904 1.00 0.40 N ATOM 296 CA ILE A 382 -3.468 5.603 7.771 1.00 0.35 C ATOM 297 C ILE A 382 -2.445 4.490 7.551 1.00 0.34 C ATOM 298 O ILE A 382 -1.738 4.095 8.478 1.00 0.41 O ATOM 299 CB ILE A 382 -2.718 6.934 7.989 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.708 8.071 8.266 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.850 7.263 6.784 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.684 8.324 7.136 1.00 0.37 C ATOM 0 H ILE A 382 -4.039 5.726 9.784 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.104 5.681 6.889 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.070 6.824 8.858 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.268 7.839 9.172 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.149 8.986 8.462 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.329 8.205 6.957 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.120 6.467 6.633 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.477 7.353 5.897 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.351 9.142 7.408 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.134 8.588 6.233 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.270 7.424 6.953 1.00 0.37 H new ATOM 314 N TYR A 383 -2.356 4.002 6.315 1.00 0.30 N ATOM 315 CA TYR A 383 -1.399 2.951 5.977 1.00 0.30 C ATOM 316 C TYR A 383 -0.256 3.530 5.154 1.00 0.28 C ATOM 317 O TYR A 383 -0.472 4.406 4.323 1.00 0.25 O ATOM 318 CB TYR A 383 -2.074 1.826 5.184 1.00 0.32 C ATOM 319 CG TYR A 383 -3.144 1.072 5.944 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.259 1.724 6.457 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.039 -0.298 6.144 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.236 1.032 7.146 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.012 -0.997 6.833 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.108 -0.328 7.331 1.00 0.52 C ATOM 325 OH TYR A 383 -6.079 -1.021 8.015 1.00 0.63 O ATOM 0 H TYR A 383 -2.932 4.316 5.534 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.010 2.539 6.908 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.518 2.250 4.283 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.310 1.119 4.861 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.363 2.789 6.315 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.182 -0.827 5.754 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.096 1.554 7.538 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -3.913 -2.062 6.980 1.00 0.55 H new ATOM 0 HH TYR A 383 -5.837 -1.970 8.056 1.00 0.63 H new ATOM 335 N PHE A 384 0.958 3.037 5.373 1.00 0.31 N ATOM 336 CA PHE A 384 2.109 3.525 4.622 1.00 0.30 C ATOM 337 C PHE A 384 2.295 2.702 3.348 1.00 0.28 C ATOM 338 O PHE A 384 2.122 1.479 3.357 1.00 0.33 O ATOM 339 CB PHE A 384 3.385 3.493 5.469 1.00 0.40 C ATOM 340 CG PHE A 384 3.260 4.177 6.805 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.458 3.641 7.803 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.941 5.357 7.064 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.340 4.269 9.030 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.825 5.988 8.287 1.00 0.64 C ATOM 345 CZ PHE A 384 3.032 5.437 9.275 1.00 0.74 C ATOM 0 H PHE A 384 1.170 2.309 6.055 1.00 0.31 H new ATOM 0 HA PHE A 384 1.917 4.563 4.350 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.673 2.454 5.631 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.192 3.964 4.907 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.920 2.723 7.619 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.570 5.788 6.299 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.707 3.845 9.795 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.354 6.912 8.471 1.00 0.64 H new ATOM 0 HZ PHE A 384 2.954 5.920 10.238 1.00 0.74 H new ATOM 355 N ILE A 385 2.627 3.381 2.251 1.00 0.26 N ATOM 356 CA ILE A 385 2.816 2.717 0.964 1.00 0.27 C ATOM 357 C ILE A 385 4.260 2.821 0.478 1.00 0.24 C ATOM 358 O ILE A 385 4.833 3.909 0.424 1.00 0.30 O ATOM 359 CB ILE A 385 1.889 3.311 -0.124 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.413 3.098 0.230 1.00 0.32 C ATOM 361 CG2 ILE A 385 2.198 2.701 -1.483 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.061 3.926 1.402 1.00 0.32 C ATOM 0 H ILE A 385 2.770 4.391 2.229 1.00 0.26 H new ATOM 0 HA ILE A 385 2.565 1.669 1.126 1.00 0.27 H new ATOM 0 HB ILE A 385 2.076 4.384 -0.171 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.197 3.336 -0.641 1.00 0.32 H new ATOM 0 HG13 ILE A 385 0.252 2.043 0.454 1.00 0.32 H new ATOM 0 HG21 ILE A 385 1.536 3.132 -2.234 1.00 0.49 H new ATOM 0 HG22 ILE A 385 3.234 2.911 -1.749 1.00 0.49 H new ATOM 0 HG23 ILE A 385 2.046 1.622 -1.441 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.115 3.720 1.591 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.523 3.672 2.287 1.00 0.32 H new ATOM 0 HD13 ILE A 385 0.067 4.984 1.175 1.00 0.32 H new ATOM 374 N ARG A 386 4.830 1.679 0.104 1.00 0.29 N ATOM 375 CA ARG A 386 6.196 1.623 -0.406 1.00 0.30 C ATOM 376 C ARG A 386 6.203 1.838 -1.917 1.00 0.33 C ATOM 377 O ARG A 386 6.101 0.880 -2.684 1.00 0.42 O ATOM 378 CB ARG A 386 6.819 0.265 -0.075 1.00 0.38 C ATOM 379 CG ARG A 386 8.225 0.064 -0.630 1.00 0.50 C ATOM 380 CD ARG A 386 9.312 0.533 0.323 1.00 1.02 C ATOM 381 NE ARG A 386 9.492 1.979 0.308 1.00 1.40 N ATOM 382 CZ ARG A 386 10.492 2.602 0.931 1.00 1.86 C ATOM 383 NH1 ARG A 386 11.403 1.916 1.609 1.00 2.42 N ATOM 384 NH2 ARG A 386 10.582 3.917 0.874 1.00 2.39 N ATOM 0 H ARG A 386 4.362 0.773 0.145 1.00 0.29 H new ATOM 0 HA ARG A 386 6.781 2.412 0.067 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.849 0.147 1.008 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.172 -0.522 -0.463 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.375 -0.993 -0.851 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.318 0.603 -1.573 1.00 0.50 H new ATOM 0 HD2 ARG A 386 9.064 0.213 1.335 1.00 1.02 H new ATOM 0 HD3 ARG A 386 10.253 0.052 0.058 1.00 1.02 H new ATOM 0 HE ARG A 386 8.817 2.544 -0.207 1.00 1.40 H new ATOM 0 HH11 ARG A 386 11.343 0.899 1.658 1.00 2.42 H new ATOM 0 HH12 ARG A 386 12.163 2.406 2.081 1.00 2.42 H new ATOM 0 HH21 ARG A 386 9.888 4.454 0.354 1.00 2.39 H new ATOM 0 HH22 ARG A 386 11.346 4.397 1.350 1.00 2.39 H new ATOM 398 N ARG A 387 6.319 3.092 -2.343 1.00 0.41 N ATOM 399 CA ARG A 387 6.333 3.410 -3.767 1.00 0.51 C ATOM 400 C ARG A 387 7.436 2.638 -4.484 1.00 0.49 C ATOM 401 O ARG A 387 8.433 2.254 -3.874 1.00 0.47 O ATOM 402 CB ARG A 387 6.509 4.914 -3.985 1.00 0.63 C ATOM 403 CG ARG A 387 5.362 5.746 -3.435 1.00 0.84 C ATOM 404 CD ARG A 387 5.509 7.215 -3.811 1.00 0.94 C ATOM 405 NE ARG A 387 5.501 7.414 -5.259 1.00 1.32 N ATOM 406 CZ ARG A 387 4.433 7.225 -6.030 1.00 1.79 C ATOM 407 NH1 ARG A 387 3.266 6.893 -5.492 1.00 2.30 N ATOM 408 NH2 ARG A 387 4.527 7.385 -7.344 1.00 2.25 N ATOM 0 H ARG A 387 6.404 3.900 -1.727 1.00 0.41 H new ATOM 0 HA ARG A 387 5.373 3.110 -4.188 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.438 5.235 -3.514 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.609 5.109 -5.053 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.416 5.364 -3.819 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.328 5.648 -2.350 1.00 0.84 H new ATOM 0 HD2 ARG A 387 4.697 7.787 -3.362 1.00 0.94 H new ATOM 0 HD3 ARG A 387 6.439 7.604 -3.397 1.00 0.94 H new ATOM 0 HE ARG A 387 6.367 7.716 -5.706 1.00 1.32 H new ATOM 0 HH11 ARG A 387 3.184 6.781 -4.481 1.00 2.30 H new ATOM 0 HH12 ARG A 387 2.452 6.750 -6.089 1.00 2.30 H new ATOM 0 HH21 ARG A 387 5.418 7.653 -7.763 1.00 2.25 H new ATOM 0 HH22 ARG A 387 3.709 7.240 -7.935 1.00 2.25 H new ATOM 422 N GLU A 388 7.239 2.397 -5.780 1.00 0.64 N ATOM 423 CA GLU A 388 8.211 1.655 -6.578 1.00 0.69 C ATOM 424 C GLU A 388 9.592 2.297 -6.507 1.00 0.61 C ATOM 425 O GLU A 388 10.594 1.605 -6.325 1.00 0.63 O ATOM 426 CB GLU A 388 7.747 1.562 -8.033 1.00 0.88 C ATOM 427 CG GLU A 388 6.416 0.848 -8.201 1.00 1.58 C ATOM 428 CD GLU A 388 5.981 0.755 -9.651 1.00 2.20 C ATOM 429 OE1 GLU A 388 6.724 0.155 -10.456 1.00 2.82 O ATOM 430 OE2 GLU A 388 4.899 1.284 -9.982 1.00 2.65 O ATOM 0 H GLU A 388 6.416 2.705 -6.298 1.00 0.64 H new ATOM 0 HA GLU A 388 8.284 0.649 -6.164 1.00 0.69 H new ATOM 0 HB2 GLU A 388 7.665 2.568 -8.445 1.00 0.88 H new ATOM 0 HB3 GLU A 388 8.506 1.040 -8.615 1.00 0.88 H new ATOM 0 HG2 GLU A 388 6.492 -0.156 -7.783 1.00 1.58 H new ATOM 0 HG3 GLU A 388 5.651 1.374 -7.629 1.00 1.58 H new ATOM 437 N ASP A 389 9.644 3.621 -6.634 1.00 0.65 N ATOM 438 CA ASP A 389 10.912 4.339 -6.560 1.00 0.69 C ATOM 439 C ASP A 389 11.584 4.061 -5.220 1.00 0.64 C ATOM 440 O ASP A 389 12.773 4.325 -5.034 1.00 0.91 O ATOM 441 CB ASP A 389 10.697 5.844 -6.748 1.00 0.81 C ATOM 442 CG ASP A 389 9.763 6.439 -5.711 1.00 0.80 C ATOM 443 OD1 ASP A 389 9.281 5.679 -4.843 1.00 1.06 O ATOM 444 OD2 ASP A 389 9.513 7.660 -5.763 1.00 1.23 O ATOM 0 H ASP A 389 8.828 4.214 -6.788 1.00 0.65 H new ATOM 0 HA ASP A 389 11.560 3.988 -7.363 1.00 0.69 H new ATOM 0 HB2 ASP A 389 11.660 6.353 -6.698 1.00 0.81 H new ATOM 0 HB3 ASP A 389 10.291 6.027 -7.743 1.00 0.81 H new ATOM 449 N GLY A 390 10.799 3.517 -4.296 1.00 0.55 N ATOM 450 CA GLY A 390 11.294 3.187 -2.976 1.00 0.53 C ATOM 451 C GLY A 390 11.103 4.317 -1.984 1.00 0.55 C ATOM 452 O GLY A 390 11.975 4.576 -1.154 1.00 1.03 O ATOM 0 H GLY A 390 9.814 3.297 -4.444 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.781 2.297 -2.611 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.354 2.940 -3.040 1.00 0.53 H new ATOM 456 N THR A 391 9.955 4.987 -2.068 1.00 0.57 N ATOM 457 CA THR A 391 9.642 6.088 -1.164 1.00 0.54 C ATOM 458 C THR A 391 8.349 5.814 -0.398 1.00 0.41 C ATOM 459 O THR A 391 7.263 5.828 -0.977 1.00 0.44 O ATOM 460 CB THR A 391 9.510 7.422 -1.923 1.00 0.71 C ATOM 461 OG1 THR A 391 8.467 7.332 -2.899 1.00 0.98 O ATOM 462 CG2 THR A 391 10.821 7.782 -2.605 1.00 0.88 C ATOM 0 H THR A 391 9.227 4.785 -2.754 1.00 0.57 H new ATOM 0 HA THR A 391 10.470 6.167 -0.459 1.00 0.54 H new ATOM 0 HB THR A 391 9.263 8.203 -1.204 1.00 0.71 H new ATOM 0 HG1 THR A 391 8.705 6.659 -3.571 1.00 0.98 H new ATOM 0 HG21 THR A 391 10.707 8.727 -3.136 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.606 7.879 -1.855 1.00 0.88 H new ATOM 0 HG23 THR A 391 11.090 6.998 -3.313 1.00 0.88 H new ATOM 470 N VAL A 392 8.467 5.568 0.907 1.00 0.37 N ATOM 471 CA VAL A 392 7.299 5.299 1.737 1.00 0.33 C ATOM 472 C VAL A 392 6.479 6.570 1.926 1.00 0.32 C ATOM 473 O VAL A 392 7.024 7.626 2.248 1.00 0.41 O ATOM 474 CB VAL A 392 7.687 4.742 3.126 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.465 4.677 4.037 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.316 3.367 2.994 1.00 0.52 C ATOM 0 H VAL A 392 9.356 5.550 1.407 1.00 0.37 H new ATOM 0 HA VAL A 392 6.709 4.544 1.217 1.00 0.33 H new ATOM 0 HB VAL A 392 8.418 5.417 3.571 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.757 4.283 5.010 1.00 0.55 H new ATOM 0 HG12 VAL A 392 6.050 5.677 4.161 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.714 4.025 3.592 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.582 2.992 3.982 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.606 2.685 2.527 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.213 3.435 2.378 1.00 0.52 H new ATOM 486 N HIS A 393 5.170 6.462 1.737 1.00 0.29 N ATOM 487 CA HIS A 393 4.276 7.602 1.896 1.00 0.31 C ATOM 488 C HIS A 393 2.888 7.139 2.322 1.00 0.27 C ATOM 489 O HIS A 393 2.353 6.171 1.785 1.00 0.26 O ATOM 490 CB HIS A 393 4.185 8.410 0.598 1.00 0.37 C ATOM 491 CG HIS A 393 5.434 9.171 0.274 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.962 10.137 1.106 1.00 1.92 N ATOM 493 CD2 HIS A 393 6.261 9.107 -0.797 1.00 0.94 C ATOM 494 CE1 HIS A 393 7.057 10.634 0.561 1.00 2.43 C ATOM 495 NE2 HIS A 393 7.261 10.026 -0.592 1.00 1.82 N ATOM 0 H HIS A 393 4.703 5.595 1.473 1.00 0.29 H new ATOM 0 HA HIS A 393 4.687 8.245 2.675 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.958 7.733 -0.226 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.353 9.110 0.674 1.00 0.37 H new ATOM 0 HD2 HIS A 393 6.154 8.456 -1.652 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.680 11.407 0.987 1.00 2.43 H new ATOM 0 HE2 HIS A 393 8.037 10.209 -1.229 1.00 1.82 H new ATOM 504 N ARG A 394 2.320 7.835 3.300 1.00 0.29 N ATOM 505 CA ARG A 394 1.002 7.499 3.821 1.00 0.28 C ATOM 506 C ARG A 394 -0.045 7.398 2.715 1.00 0.26 C ATOM 507 O ARG A 394 0.062 8.043 1.671 1.00 0.32 O ATOM 508 CB ARG A 394 0.566 8.522 4.867 1.00 0.35 C ATOM 509 CG ARG A 394 1.390 8.469 6.145 1.00 0.42 C ATOM 510 CD ARG A 394 1.040 9.615 7.079 1.00 0.52 C ATOM 511 NE ARG A 394 1.767 9.539 8.347 1.00 1.34 N ATOM 512 CZ ARG A 394 1.607 8.563 9.237 1.00 2.01 C ATOM 513 NH1 ARG A 394 0.739 7.585 9.012 1.00 2.41 N ATOM 514 NH2 ARG A 394 2.313 8.568 10.360 1.00 2.96 N ATOM 0 H ARG A 394 2.756 8.640 3.750 1.00 0.29 H new ATOM 0 HA ARG A 394 1.080 6.517 4.288 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.638 9.522 4.439 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.483 8.355 5.113 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.218 7.519 6.652 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.451 8.510 5.898 1.00 0.42 H new ATOM 0 HD2 ARG A 394 1.266 10.562 6.589 1.00 0.52 H new ATOM 0 HD3 ARG A 394 -0.032 9.606 7.276 1.00 0.52 H new ATOM 0 HE ARG A 394 2.436 10.278 8.561 1.00 1.34 H new ATOM 0 HH11 ARG A 394 0.190 7.578 8.153 1.00 2.41 H new ATOM 0 HH12 ARG A 394 0.621 6.840 9.698 1.00 2.41 H new ATOM 0 HH21 ARG A 394 2.978 9.320 10.541 1.00 2.96 H new ATOM 0 HH22 ARG A 394 2.191 7.820 11.043 1.00 2.96 H new ATOM 528 N GLY A 395 -1.055 6.573 2.966 1.00 0.23 N ATOM 529 CA GLY A 395 -2.130 6.362 2.015 1.00 0.25 C ATOM 530 C GLY A 395 -3.268 5.570 2.632 1.00 0.23 C ATOM 531 O GLY A 395 -3.038 4.543 3.273 1.00 0.26 O ATOM 0 H GLY A 395 -1.148 6.037 3.829 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.503 7.325 1.665 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.747 5.832 1.143 1.00 0.25 H new ATOM 535 N GLN A 396 -4.492 6.054 2.460 1.00 0.29 N ATOM 536 CA GLN A 396 -5.659 5.383 3.026 1.00 0.34 C ATOM 537 C GLN A 396 -6.204 4.310 2.088 1.00 0.35 C ATOM 538 O GLN A 396 -6.468 4.574 0.915 1.00 0.46 O ATOM 539 CB GLN A 396 -6.754 6.410 3.320 1.00 0.43 C ATOM 540 CG GLN A 396 -6.307 7.533 4.241 1.00 0.50 C ATOM 541 CD GLN A 396 -7.410 8.530 4.523 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.006 9.095 3.605 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.677 8.759 5.800 1.00 0.61 N ATOM 0 H GLN A 396 -4.703 6.904 1.937 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.347 4.896 3.950 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.099 6.839 2.379 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.606 5.901 3.770 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -5.957 7.108 5.182 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.460 8.051 3.791 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -7.157 8.267 6.526 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.403 9.428 6.057 1.00 0.61 H new ATOM 552 N VAL A 397 -6.400 3.105 2.617 1.00 0.33 N ATOM 553 CA VAL A 397 -6.945 2.008 1.826 1.00 0.33 C ATOM 554 C VAL A 397 -8.466 2.015 1.928 1.00 0.33 C ATOM 555 O VAL A 397 -9.017 2.157 3.020 1.00 0.37 O ATOM 556 CB VAL A 397 -6.404 0.642 2.287 1.00 0.38 C ATOM 557 CG1 VAL A 397 -6.728 -0.434 1.263 1.00 0.73 C ATOM 558 CG2 VAL A 397 -4.908 0.717 2.543 1.00 0.83 C ATOM 0 H VAL A 397 -6.190 2.865 3.586 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.635 2.156 0.792 1.00 0.33 H new ATOM 0 HB VAL A 397 -6.893 0.376 3.224 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.338 -1.392 1.606 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.809 -0.505 1.140 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.270 -0.177 0.308 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.545 -0.258 2.868 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.396 1.008 1.626 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.708 1.455 3.319 1.00 0.83 H new ATOM 568 N LEU A 398 -9.143 1.893 0.792 1.00 0.36 N ATOM 569 CA LEU A 398 -10.602 1.925 0.781 1.00 0.40 C ATOM 570 C LEU A 398 -11.211 0.643 0.215 1.00 0.41 C ATOM 571 O LEU A 398 -12.256 0.192 0.685 1.00 0.47 O ATOM 572 CB LEU A 398 -11.084 3.133 -0.022 1.00 0.46 C ATOM 573 CG LEU A 398 -10.528 4.481 0.446 1.00 0.49 C ATOM 574 CD1 LEU A 398 -10.985 5.601 -0.477 1.00 1.16 C ATOM 575 CD2 LEU A 398 -10.955 4.766 1.878 1.00 1.45 C ATOM 0 H LEU A 398 -8.712 1.772 -0.124 1.00 0.36 H new ATOM 0 HA LEU A 398 -10.935 2.007 1.816 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.813 2.988 -1.068 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.172 3.170 0.023 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.440 4.431 0.412 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.579 6.550 -0.126 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.630 5.406 -1.489 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.074 5.650 -0.478 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.551 5.728 2.194 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -12.043 4.794 1.935 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.577 3.981 2.533 1.00 1.45 H new ATOM 587 N GLN A 399 -10.578 0.070 -0.805 1.00 0.39 N ATOM 588 CA GLN A 399 -11.101 -1.143 -1.428 1.00 0.43 C ATOM 589 C GLN A 399 -9.995 -2.136 -1.770 1.00 0.38 C ATOM 590 O GLN A 399 -8.810 -1.857 -1.585 1.00 0.35 O ATOM 591 CB GLN A 399 -11.885 -0.787 -2.693 1.00 0.49 C ATOM 592 CG GLN A 399 -13.096 0.094 -2.429 1.00 0.60 C ATOM 593 CD GLN A 399 -13.864 0.450 -3.692 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.878 1.147 -3.634 1.00 2.08 O ATOM 595 NE2 GLN A 399 -13.390 -0.022 -4.841 1.00 2.04 N ATOM 0 H GLN A 399 -9.712 0.421 -1.214 1.00 0.39 H new ATOM 0 HA GLN A 399 -11.762 -1.620 -0.705 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.221 -0.278 -3.391 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.213 -1.706 -3.178 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.765 -0.417 -1.737 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -12.770 1.011 -1.939 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -12.547 -0.596 -4.847 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -13.869 0.190 -5.716 1.00 2.04 H new ATOM 604 N SER A 400 -10.403 -3.303 -2.265 1.00 0.42 N ATOM 605 CA SER A 400 -9.468 -4.360 -2.637 1.00 0.41 C ATOM 606 C SER A 400 -10.160 -5.393 -3.525 1.00 0.47 C ATOM 607 O SER A 400 -11.367 -5.611 -3.408 1.00 0.54 O ATOM 608 CB SER A 400 -8.902 -5.037 -1.389 1.00 0.47 C ATOM 609 OG SER A 400 -9.928 -5.654 -0.631 1.00 0.56 O ATOM 0 H SER A 400 -11.383 -3.540 -2.418 1.00 0.42 H new ATOM 0 HA SER A 400 -8.646 -3.911 -3.194 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.163 -5.783 -1.680 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.386 -4.300 -0.775 1.00 0.47 H new ATOM 0 HG SER A 400 -9.538 -6.081 0.160 1.00 0.56 H new ATOM 615 N ARG A 401 -9.399 -6.018 -4.422 1.00 0.51 N ATOM 616 CA ARG A 401 -9.962 -7.012 -5.333 1.00 0.60 C ATOM 617 C ARG A 401 -8.885 -7.955 -5.868 1.00 0.73 C ATOM 618 O ARG A 401 -7.802 -7.520 -6.258 1.00 0.86 O ATOM 619 CB ARG A 401 -10.639 -6.312 -6.514 1.00 0.65 C ATOM 620 CG ARG A 401 -9.643 -5.671 -7.469 1.00 0.72 C ATOM 621 CD ARG A 401 -10.318 -4.983 -8.640 1.00 0.91 C ATOM 622 NE ARG A 401 -9.335 -4.512 -9.610 1.00 1.02 N ATOM 623 CZ ARG A 401 -9.640 -3.852 -10.721 1.00 1.25 C ATOM 624 NH1 ARG A 401 -10.904 -3.573 -11.009 1.00 1.55 N ATOM 625 NH2 ARG A 401 -8.675 -3.468 -11.545 1.00 1.43 N ATOM 0 H ARG A 401 -8.399 -5.855 -4.537 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.691 -7.598 -4.773 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.245 -7.035 -7.060 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.318 -5.547 -6.137 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.039 -4.945 -6.925 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.962 -6.435 -7.844 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -11.008 -5.674 -9.123 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -10.910 -4.142 -8.280 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.351 -4.702 -9.423 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -11.648 -3.866 -10.376 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -11.132 -3.066 -11.864 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -7.702 -3.680 -11.325 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -8.906 -2.961 -12.399 1.00 1.43 H new ATOM 639 N THR A 402 -9.198 -9.244 -5.909 1.00 0.82 N ATOM 640 CA THR A 402 -8.269 -10.238 -6.428 1.00 0.99 C ATOM 641 C THR A 402 -8.266 -10.202 -7.958 1.00 1.16 C ATOM 642 O THR A 402 -8.106 -9.135 -8.551 1.00 1.79 O ATOM 643 CB THR A 402 -8.622 -11.650 -5.922 1.00 1.14 C ATOM 644 OG1 THR A 402 -9.968 -11.984 -6.278 1.00 1.38 O ATOM 645 CG2 THR A 402 -8.450 -11.735 -4.415 1.00 1.29 C ATOM 0 H THR A 402 -10.088 -9.625 -5.589 1.00 0.82 H new ATOM 0 HA THR A 402 -7.270 -9.995 -6.064 1.00 0.99 H new ATOM 0 HB THR A 402 -7.944 -12.362 -6.393 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.179 -12.884 -5.952 1.00 1.38 H new ATOM 0 HG21 THR A 402 -8.704 -12.739 -4.076 1.00 1.29 H new ATOM 0 HG22 THR A 402 -7.415 -11.515 -4.154 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.108 -11.012 -3.932 1.00 1.29 H new ATOM 653 N THR A 403 -8.452 -11.355 -8.600 1.00 1.43 N ATOM 654 CA THR A 403 -8.475 -11.421 -10.058 1.00 1.62 C ATOM 655 C THR A 403 -9.067 -12.753 -10.517 1.00 1.84 C ATOM 656 O THR A 403 -9.562 -13.529 -9.699 1.00 1.85 O ATOM 657 CB THR A 403 -7.063 -11.252 -10.662 1.00 1.77 C ATOM 658 OG1 THR A 403 -6.260 -10.419 -9.819 1.00 1.78 O ATOM 659 CG2 THR A 403 -7.142 -10.618 -12.044 1.00 1.95 C ATOM 0 H THR A 403 -8.588 -12.252 -8.134 1.00 1.43 H new ATOM 0 HA THR A 403 -9.097 -10.598 -10.411 1.00 1.62 H new ATOM 0 HB THR A 403 -6.612 -12.241 -10.742 1.00 1.77 H new ATOM 0 HG1 THR A 403 -5.367 -10.320 -10.211 1.00 1.78 H new ATOM 0 HG21 THR A 403 -6.137 -10.508 -12.452 1.00 1.95 H new ATOM 0 HG22 THR A 403 -7.733 -11.254 -12.703 1.00 1.95 H new ATOM 0 HG23 THR A 403 -7.612 -9.638 -11.968 1.00 1.95 H new ATOM 667 N GLU A 404 -9.025 -13.007 -11.824 1.00 2.08 N ATOM 668 CA GLU A 404 -9.569 -14.242 -12.389 1.00 2.34 C ATOM 669 C GLU A 404 -9.157 -15.464 -11.570 1.00 2.30 C ATOM 670 O GLU A 404 -9.981 -16.331 -11.278 1.00 2.37 O ATOM 671 CB GLU A 404 -9.105 -14.414 -13.837 1.00 2.72 C ATOM 672 CG GLU A 404 -9.540 -13.284 -14.757 1.00 2.91 C ATOM 673 CD GLU A 404 -9.082 -13.486 -16.189 1.00 3.42 C ATOM 674 OE1 GLU A 404 -8.421 -14.510 -16.464 1.00 3.79 O ATOM 675 OE2 GLU A 404 -9.384 -12.619 -17.036 1.00 3.87 O ATOM 0 H GLU A 404 -8.619 -12.373 -12.513 1.00 2.08 H new ATOM 0 HA GLU A 404 -10.656 -14.164 -12.361 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -8.018 -14.487 -13.854 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -9.494 -15.356 -14.224 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -10.627 -13.201 -14.736 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -9.141 -12.341 -14.382 1.00 2.91 H new ATOM 682 N ASN A 405 -7.879 -15.530 -11.202 1.00 2.26 N ATOM 683 CA ASN A 405 -7.371 -16.653 -10.420 1.00 2.30 C ATOM 684 C ASN A 405 -7.980 -16.663 -9.019 1.00 2.07 C ATOM 685 O ASN A 405 -8.508 -17.681 -8.571 1.00 2.40 O ATOM 686 CB ASN A 405 -5.846 -16.589 -10.327 1.00 2.43 C ATOM 687 CG ASN A 405 -5.264 -17.774 -9.581 1.00 2.67 C ATOM 688 OD1 ASN A 405 -5.441 -18.923 -9.984 1.00 3.16 O ATOM 689 ND2 ASN A 405 -4.565 -17.499 -8.487 1.00 2.73 N ATOM 0 H ASN A 405 -7.181 -14.823 -11.432 1.00 2.26 H new ATOM 0 HA ASN A 405 -7.658 -17.575 -10.926 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -5.424 -16.552 -11.331 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -5.553 -15.667 -9.825 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -4.149 -18.256 -7.944 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -4.443 -16.531 -8.189 1.00 2.73 H new ATOM 696 N ALA A 406 -7.903 -15.523 -8.337 1.00 1.82 N ATOM 697 CA ALA A 406 -8.447 -15.392 -6.988 1.00 1.67 C ATOM 698 C ALA A 406 -7.916 -16.484 -6.063 1.00 1.85 C ATOM 699 O ALA A 406 -8.682 -17.190 -5.406 1.00 2.18 O ATOM 700 CB ALA A 406 -9.966 -15.409 -7.023 1.00 1.72 C ATOM 0 H ALA A 406 -7.468 -14.674 -8.698 1.00 1.82 H new ATOM 0 HA ALA A 406 -8.119 -14.433 -6.588 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -10.354 -15.310 -6.009 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -10.325 -14.579 -7.632 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -10.310 -16.350 -7.453 1.00 1.72 H new ATOM 706 N ALA A 407 -6.597 -16.607 -6.017 1.00 1.91 N ATOM 707 CA ALA A 407 -5.935 -17.599 -5.176 1.00 2.19 C ATOM 708 C ALA A 407 -4.567 -17.085 -4.758 1.00 2.37 C ATOM 709 O ALA A 407 -3.742 -17.821 -4.215 1.00 2.77 O ATOM 710 CB ALA A 407 -5.801 -18.917 -5.919 1.00 2.38 C ATOM 0 H ALA A 407 -5.957 -16.026 -6.558 1.00 1.91 H new ATOM 0 HA ALA A 407 -6.538 -17.768 -4.284 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -5.305 -19.647 -5.279 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -6.791 -19.285 -6.189 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -5.210 -18.767 -6.823 1.00 2.38 H new ATOM 716 N ALA A 408 -4.351 -15.806 -5.032 1.00 2.15 N ATOM 717 CA ALA A 408 -3.103 -15.128 -4.717 1.00 2.35 C ATOM 718 C ALA A 408 -3.188 -13.657 -5.125 1.00 2.05 C ATOM 719 O ALA A 408 -2.842 -12.771 -4.343 1.00 1.99 O ATOM 720 CB ALA A 408 -1.927 -15.809 -5.406 1.00 2.76 C ATOM 0 H ALA A 408 -5.042 -15.206 -5.482 1.00 2.15 H new ATOM 0 HA ALA A 408 -2.940 -15.185 -3.641 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -1.005 -15.284 -5.156 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -1.858 -16.844 -5.070 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -2.075 -15.787 -6.486 1.00 2.76 H new ATOM 726 N PRO A 409 -3.664 -13.368 -6.361 1.00 1.99 N ATOM 727 CA PRO A 409 -3.799 -11.994 -6.850 1.00 1.80 C ATOM 728 C PRO A 409 -4.709 -11.152 -5.971 1.00 1.41 C ATOM 729 O PRO A 409 -5.702 -11.643 -5.441 1.00 1.86 O ATOM 730 CB PRO A 409 -4.407 -12.155 -8.247 1.00 2.10 C ATOM 731 CG PRO A 409 -4.091 -13.554 -8.644 1.00 2.49 C ATOM 732 CD PRO A 409 -4.107 -14.348 -7.372 1.00 2.27 C ATOM 0 HA PRO A 409 -2.840 -11.475 -6.850 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -5.483 -11.982 -8.232 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -3.979 -11.439 -8.949 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -4.825 -13.935 -9.353 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -3.117 -13.613 -9.131 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.102 -14.734 -7.150 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -3.436 -15.206 -7.423 1.00 2.27 H new ATOM 740 N ASP A 410 -4.354 -9.880 -5.822 1.00 0.92 N ATOM 741 CA ASP A 410 -5.128 -8.954 -5.007 1.00 0.79 C ATOM 742 C ASP A 410 -4.547 -7.546 -5.087 1.00 0.68 C ATOM 743 O ASP A 410 -3.332 -7.357 -5.017 1.00 0.93 O ATOM 744 CB ASP A 410 -5.176 -9.426 -3.550 1.00 1.18 C ATOM 745 CG ASP A 410 -3.796 -9.645 -2.954 1.00 1.62 C ATOM 746 OD1 ASP A 410 -2.801 -9.468 -3.689 1.00 1.99 O ATOM 747 OD2 ASP A 410 -3.707 -9.985 -1.756 1.00 2.14 O ATOM 0 H ASP A 410 -3.530 -9.466 -6.258 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.145 -8.930 -5.398 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -5.712 -8.689 -2.952 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -5.743 -10.355 -3.493 1.00 1.18 H new ATOM 752 N GLU A 411 -5.423 -6.559 -5.235 1.00 0.54 N ATOM 753 CA GLU A 411 -5.005 -5.167 -5.324 1.00 0.45 C ATOM 754 C GLU A 411 -5.824 -4.307 -4.373 1.00 0.40 C ATOM 755 O GLU A 411 -7.045 -4.438 -4.303 1.00 0.42 O ATOM 756 CB GLU A 411 -5.159 -4.656 -6.757 1.00 0.49 C ATOM 757 CG GLU A 411 -4.320 -5.418 -7.770 1.00 0.58 C ATOM 758 CD GLU A 411 -4.507 -4.907 -9.184 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.649 -4.953 -9.687 1.00 2.10 O ATOM 760 OE2 GLU A 411 -3.511 -4.459 -9.790 1.00 2.08 O ATOM 0 H GLU A 411 -6.431 -6.699 -5.296 1.00 0.54 H new ATOM 0 HA GLU A 411 -3.955 -5.103 -5.039 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.208 -4.720 -7.046 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.883 -3.602 -6.789 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.268 -5.341 -7.496 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.583 -6.475 -7.732 1.00 0.58 H new ATOM 767 N TYR A 412 -5.148 -3.435 -3.634 1.00 0.38 N ATOM 768 CA TYR A 412 -5.824 -2.569 -2.677 1.00 0.35 C ATOM 769 C TYR A 412 -5.767 -1.107 -3.103 1.00 0.33 C ATOM 770 O TYR A 412 -4.692 -0.565 -3.360 1.00 0.34 O ATOM 771 CB TYR A 412 -5.195 -2.719 -1.288 1.00 0.39 C ATOM 772 CG TYR A 412 -5.323 -4.108 -0.696 1.00 0.45 C ATOM 773 CD1 TYR A 412 -4.774 -5.208 -1.344 1.00 0.50 C ATOM 774 CD2 TYR A 412 -5.994 -4.322 0.502 1.00 0.53 C ATOM 775 CE1 TYR A 412 -4.889 -6.479 -0.814 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.112 -5.591 1.038 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.556 -6.654 0.405 1.00 0.62 C ATOM 778 OH TYR A 412 -5.674 -7.930 0.906 1.00 0.72 O ATOM 0 H TYR A 412 -4.137 -3.309 -3.679 1.00 0.38 H new ATOM 0 HA TYR A 412 -6.870 -2.875 -2.643 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.138 -2.458 -1.350 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -5.661 -2.003 -0.611 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.249 -5.067 -2.277 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.431 -3.483 1.023 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.469 -7.328 -1.334 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.649 -5.736 1.964 1.00 0.61 H new ATOM 0 HH TYR A 412 -4.994 -8.074 1.597 1.00 0.72 H new ATOM 788 N TYR A 413 -6.931 -0.468 -3.148 1.00 0.33 N ATOM 789 CA TYR A 413 -7.016 0.939 -3.509 1.00 0.32 C ATOM 790 C TYR A 413 -6.306 1.776 -2.455 1.00 0.32 C ATOM 791 O TYR A 413 -6.337 1.439 -1.271 1.00 0.40 O ATOM 792 CB TYR A 413 -8.477 1.378 -3.615 1.00 0.36 C ATOM 793 CG TYR A 413 -8.650 2.800 -4.103 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.156 3.193 -5.341 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.308 3.746 -3.328 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.314 4.491 -5.791 1.00 0.44 C ATOM 797 CE2 TYR A 413 -9.469 5.044 -3.772 1.00 0.48 C ATOM 798 CZ TYR A 413 -8.971 5.411 -5.003 1.00 0.46 C ATOM 799 OH TYR A 413 -9.129 6.705 -5.448 1.00 0.51 O ATOM 0 H TYR A 413 -7.829 -0.904 -2.938 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.538 1.083 -4.478 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.002 0.704 -4.292 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -8.949 1.278 -2.638 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.641 2.474 -5.961 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -9.700 3.462 -2.363 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.924 4.782 -6.755 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -9.983 5.768 -3.157 1.00 0.48 H new ATOM 0 HH TYR A 413 -8.425 7.270 -5.067 1.00 0.51 H new ATOM 809 N VAL A 414 -5.660 2.856 -2.872 1.00 0.33 N ATOM 810 CA VAL A 414 -4.949 3.698 -1.923 1.00 0.33 C ATOM 811 C VAL A 414 -5.029 5.179 -2.278 1.00 0.29 C ATOM 812 O VAL A 414 -4.739 5.586 -3.403 1.00 0.38 O ATOM 813 CB VAL A 414 -3.469 3.284 -1.807 1.00 0.39 C ATOM 814 CG1 VAL A 414 -2.793 3.294 -3.170 1.00 1.09 C ATOM 815 CG2 VAL A 414 -2.734 4.190 -0.831 1.00 1.15 C ATOM 0 H VAL A 414 -5.614 3.165 -3.843 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.445 3.552 -0.964 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.431 2.265 -1.422 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.750 2.998 -3.061 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.301 2.594 -3.833 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -2.843 4.297 -3.594 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -1.691 3.881 -0.763 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -2.785 5.221 -1.182 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.198 4.118 0.153 1.00 1.15 H new ATOM 825 N HIS A 415 -5.403 5.974 -1.282 1.00 0.33 N ATOM 826 CA HIS A 415 -5.504 7.416 -1.430 1.00 0.32 C ATOM 827 C HIS A 415 -4.420 8.080 -0.594 1.00 0.32 C ATOM 828 O HIS A 415 -4.628 8.386 0.582 1.00 0.34 O ATOM 829 CB HIS A 415 -6.890 7.905 -0.990 1.00 0.37 C ATOM 830 CG HIS A 415 -7.038 9.396 -0.992 1.00 0.44 C ATOM 831 ND1 HIS A 415 -6.809 10.178 -2.104 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.407 10.247 -0.006 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.029 11.446 -1.801 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.392 11.514 -0.534 1.00 0.62 N ATOM 0 H HIS A 415 -5.644 5.635 -0.351 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.368 7.681 -2.479 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.643 7.474 -1.650 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.095 7.531 0.013 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -6.516 9.832 -3.018 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -7.665 9.979 1.008 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -6.929 12.284 -2.475 1.00 0.60 H new ATOM 843 N TYR A 416 -3.254 8.277 -1.199 1.00 0.37 N ATOM 844 CA TYR A 416 -2.127 8.881 -0.503 1.00 0.40 C ATOM 845 C TYR A 416 -2.530 10.199 0.144 1.00 0.45 C ATOM 846 O TYR A 416 -2.881 11.159 -0.542 1.00 0.57 O ATOM 847 CB TYR A 416 -0.959 9.104 -1.465 1.00 0.46 C ATOM 848 CG TYR A 416 -0.450 7.839 -2.120 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.177 7.213 -3.125 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.762 7.279 -1.741 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.710 6.062 -3.731 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.236 6.129 -2.344 1.00 0.54 C ATOM 853 CZ TYR A 416 0.496 5.525 -3.339 1.00 0.57 C ATOM 854 OH TYR A 416 0.965 4.380 -3.942 1.00 0.65 O ATOM 0 H TYR A 416 -3.066 8.027 -2.170 1.00 0.37 H new ATOM 0 HA TYR A 416 -1.810 8.194 0.282 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.270 9.803 -2.241 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.139 9.575 -0.922 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.122 7.632 -3.438 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.344 7.749 -0.962 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.288 5.586 -4.509 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.181 5.706 -2.038 1.00 0.54 H new ATOM 0 HH TYR A 416 1.076 4.538 -4.903 1.00 0.65 H new ATOM 864 N VAL A 417 -2.477 10.233 1.471 1.00 0.45 N ATOM 865 CA VAL A 417 -2.838 11.429 2.218 1.00 0.55 C ATOM 866 C VAL A 417 -1.908 12.584 1.875 1.00 0.66 C ATOM 867 O VAL A 417 -0.686 12.438 1.894 1.00 1.34 O ATOM 868 CB VAL A 417 -2.801 11.171 3.736 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.215 12.415 4.508 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.698 9.999 4.092 1.00 1.01 C ATOM 0 H VAL A 417 -2.187 9.445 2.050 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.856 11.695 1.933 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.777 10.925 4.017 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -3.181 12.208 5.578 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.532 13.232 4.275 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.229 12.698 4.225 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -3.663 9.827 5.168 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.723 10.221 3.793 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.354 9.106 3.571 1.00 1.01 H new ATOM 880 N GLY A 418 -2.498 13.729 1.559 1.00 0.71 N ATOM 881 CA GLY A 418 -1.715 14.902 1.207 1.00 0.82 C ATOM 882 C GLY A 418 -1.216 14.868 -0.228 1.00 0.72 C ATOM 883 O GLY A 418 -1.259 15.880 -0.928 1.00 0.76 O ATOM 0 H GLY A 418 -3.508 13.869 1.540 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.321 15.796 1.355 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.862 14.980 1.882 1.00 0.82 H new ATOM 887 N LEU A 419 -0.740 13.704 -0.668 1.00 0.66 N ATOM 888 CA LEU A 419 -0.228 13.536 -2.022 1.00 0.60 C ATOM 889 C LEU A 419 -1.293 13.848 -3.070 1.00 0.59 C ATOM 890 O LEU A 419 -2.491 13.824 -2.782 1.00 0.76 O ATOM 891 CB LEU A 419 0.277 12.107 -2.208 1.00 0.58 C ATOM 892 CG LEU A 419 1.604 11.767 -1.521 1.00 0.78 C ATOM 893 CD1 LEU A 419 2.763 12.460 -2.217 1.00 1.60 C ATOM 894 CD2 LEU A 419 1.577 12.138 -0.045 1.00 1.40 C ATOM 0 H LEU A 419 -0.700 12.858 -0.099 1.00 0.66 H new ATOM 0 HA LEU A 419 0.593 14.240 -2.160 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.486 11.422 -1.838 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.385 11.917 -3.276 1.00 0.58 H new ATOM 0 HG LEU A 419 1.745 10.689 -1.595 1.00 0.78 H new ATOM 0 HD11 LEU A 419 3.695 12.205 -1.713 1.00 1.60 H new ATOM 0 HD12 LEU A 419 2.811 12.134 -3.256 1.00 1.60 H new ATOM 0 HD13 LEU A 419 2.615 13.539 -2.182 1.00 1.60 H new ATOM 0 HD21 LEU A 419 2.533 11.884 0.412 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.399 13.208 0.058 1.00 1.40 H new ATOM 0 HD23 LEU A 419 0.779 11.588 0.454 1.00 1.40 H new ATOM 906 N ASN A 420 -0.840 14.139 -4.287 1.00 0.61 N ATOM 907 CA ASN A 420 -1.735 14.459 -5.395 1.00 0.63 C ATOM 908 C ASN A 420 -2.785 13.369 -5.595 1.00 0.56 C ATOM 909 O ASN A 420 -2.500 12.182 -5.437 1.00 0.56 O ATOM 910 CB ASN A 420 -0.932 14.641 -6.685 1.00 0.75 C ATOM 911 CG ASN A 420 0.150 15.694 -6.549 1.00 1.57 C ATOM 912 OD1 ASN A 420 -0.132 16.858 -6.268 1.00 2.53 O ATOM 913 ND2 ASN A 420 1.397 15.286 -6.750 1.00 1.98 N ATOM 0 H ASN A 420 0.150 14.160 -4.531 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.249 15.389 -5.150 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.477 13.690 -6.964 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -1.607 14.920 -7.494 1.00 0.75 H new ATOM 0 HD21 ASN A 420 2.169 15.948 -6.673 1.00 1.98 H new ATOM 0 HD22 ASN A 420 1.583 14.310 -6.981 1.00 1.98 H new ATOM 920 N ARG A 421 -3.999 13.785 -5.943 1.00 0.62 N ATOM 921 CA ARG A 421 -5.099 12.852 -6.170 1.00 0.67 C ATOM 922 C ARG A 421 -4.777 11.885 -7.307 1.00 0.66 C ATOM 923 O ARG A 421 -5.146 10.713 -7.259 1.00 0.69 O ATOM 924 CB ARG A 421 -6.385 13.618 -6.485 1.00 0.87 C ATOM 925 CG ARG A 421 -6.840 14.531 -5.359 1.00 1.09 C ATOM 926 CD ARG A 421 -8.090 15.308 -5.741 1.00 1.51 C ATOM 927 NE ARG A 421 -9.203 14.425 -6.087 1.00 2.25 N ATOM 928 CZ ARG A 421 -9.772 13.579 -5.233 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.355 13.514 -3.976 1.00 3.28 N ATOM 930 NH2 ARG A 421 -10.766 12.800 -5.636 1.00 3.98 N ATOM 0 H ARG A 421 -4.247 14.766 -6.074 1.00 0.62 H new ATOM 0 HA ARG A 421 -5.241 12.271 -5.258 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -6.232 14.213 -7.385 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -7.178 12.904 -6.706 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -7.038 13.938 -4.466 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -6.040 15.228 -5.108 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -8.383 15.952 -4.912 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -7.868 15.958 -6.587 1.00 1.51 H new ATOM 0 HE ARG A 421 -9.565 14.460 -7.040 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -8.594 14.115 -3.659 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -9.795 12.863 -3.326 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -11.094 12.850 -6.601 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -11.203 12.151 -4.982 1.00 3.98 H new ATOM 944 N ARG A 422 -4.089 12.385 -8.331 1.00 0.71 N ATOM 945 CA ARG A 422 -3.721 11.563 -9.481 1.00 0.83 C ATOM 946 C ARG A 422 -2.924 10.336 -9.044 1.00 0.72 C ATOM 947 O ARG A 422 -3.010 9.275 -9.662 1.00 0.77 O ATOM 948 CB ARG A 422 -2.909 12.385 -10.484 1.00 1.01 C ATOM 949 CG ARG A 422 -1.627 12.962 -9.905 1.00 1.19 C ATOM 950 CD ARG A 422 -0.841 13.734 -10.953 1.00 1.49 C ATOM 951 NE ARG A 422 0.400 14.289 -10.414 1.00 2.09 N ATOM 952 CZ ARG A 422 1.450 13.553 -10.056 1.00 2.79 C ATOM 953 NH1 ARG A 422 1.439 12.238 -10.233 1.00 3.07 N ATOM 954 NH2 ARG A 422 2.521 14.136 -9.535 1.00 3.71 N ATOM 0 H ARG A 422 -3.776 13.354 -8.388 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.639 11.223 -9.960 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -2.660 11.756 -11.339 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.528 13.201 -10.858 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -1.867 13.621 -9.071 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -1.011 12.156 -9.507 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -0.609 13.075 -11.790 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -1.458 14.542 -11.346 1.00 1.49 H new ATOM 0 HE ARG A 422 0.465 15.301 -10.306 1.00 2.09 H new ATOM 0 HH11 ARG A 422 0.623 11.786 -10.645 1.00 3.07 H new ATOM 0 HH12 ARG A 422 2.247 11.679 -9.957 1.00 3.07 H new ATOM 0 HH21 ARG A 422 2.540 15.148 -9.409 1.00 3.71 H new ATOM 0 HH22 ARG A 422 3.326 13.572 -9.261 1.00 3.71 H new ATOM 968 N LEU A 423 -2.149 10.493 -7.975 1.00 0.65 N ATOM 969 CA LEU A 423 -1.332 9.413 -7.444 1.00 0.62 C ATOM 970 C LEU A 423 -2.180 8.187 -7.109 1.00 0.52 C ATOM 971 O LEU A 423 -1.698 7.055 -7.170 1.00 0.53 O ATOM 972 CB LEU A 423 -0.590 9.897 -6.199 1.00 0.69 C ATOM 973 CG LEU A 423 0.937 9.817 -6.273 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.466 10.685 -7.404 1.00 1.31 C ATOM 975 CD2 LEU A 423 1.556 10.234 -4.948 1.00 1.49 C ATOM 0 H LEU A 423 -2.071 11.368 -7.457 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.612 9.120 -8.208 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.874 10.932 -6.007 1.00 0.69 H new ATOM 0 HB3 LEU A 423 -0.927 9.310 -5.345 1.00 0.69 H new ATOM 0 HG LEU A 423 1.216 8.783 -6.476 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.553 10.614 -7.439 1.00 1.31 H new ATOM 0 HD12 LEU A 423 1.049 10.342 -8.351 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.176 11.722 -7.233 1.00 1.31 H new ATOM 0 HD21 LEU A 423 2.642 10.171 -5.018 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.266 11.259 -4.717 1.00 1.49 H new ATOM 0 HD23 LEU A 423 1.205 9.571 -4.158 1.00 1.49 H new ATOM 987 N ASP A 424 -3.439 8.423 -6.748 1.00 0.49 N ATOM 988 CA ASP A 424 -4.358 7.343 -6.395 1.00 0.50 C ATOM 989 C ASP A 424 -4.360 6.235 -7.443 1.00 0.45 C ATOM 990 O ASP A 424 -4.317 6.497 -8.645 1.00 0.49 O ATOM 991 CB ASP A 424 -5.778 7.883 -6.224 1.00 0.66 C ATOM 992 CG ASP A 424 -5.937 8.717 -4.971 1.00 0.81 C ATOM 993 OD1 ASP A 424 -5.218 9.728 -4.831 1.00 0.97 O ATOM 994 OD2 ASP A 424 -6.786 8.358 -4.128 1.00 1.20 O ATOM 0 H ASP A 424 -3.848 9.356 -6.692 1.00 0.49 H new ATOM 0 HA ASP A 424 -4.010 6.921 -5.452 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -6.040 8.486 -7.093 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.479 7.049 -6.192 1.00 0.66 H new ATOM 999 N GLY A 425 -4.420 4.993 -6.969 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.438 3.849 -7.861 1.00 0.50 C ATOM 1001 C GLY A 425 -4.635 2.546 -7.113 1.00 0.45 C ATOM 1002 O GLY A 425 -5.276 2.520 -6.061 1.00 0.70 O ATOM 0 H GLY A 425 -4.457 4.759 -5.977 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.238 3.972 -8.591 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.502 3.809 -8.418 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.080 1.463 -7.648 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.201 0.156 -7.012 1.00 0.44 C ATOM 1008 C TRP A 426 -2.829 -0.487 -6.829 1.00 0.45 C ATOM 1009 O TRP A 426 -2.009 -0.501 -7.748 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.113 -0.766 -7.832 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.514 -0.261 -7.972 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -6.926 0.893 -8.567 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.687 -0.907 -7.492 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.295 1.002 -8.486 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.785 -0.096 -7.827 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.907 -2.097 -6.813 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.092 -0.444 -7.497 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.203 -2.446 -6.482 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.283 -1.621 -6.826 1.00 0.59 C ATOM 0 H TRP A 426 -3.545 1.464 -8.516 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.649 0.302 -6.029 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.683 -0.897 -8.825 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.136 -1.749 -7.362 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.274 1.616 -9.034 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -8.853 1.772 -8.855 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.080 -2.739 -6.548 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -10.924 0.192 -7.761 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.386 -3.368 -5.950 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.285 -1.920 -6.556 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.586 -1.009 -5.630 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.312 -1.646 -5.309 1.00 0.46 C ATOM 1032 C VAL A 427 -1.475 -3.155 -5.166 1.00 0.51 C ATOM 1033 O VAL A 427 -2.549 -3.638 -4.817 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.721 -1.095 -3.997 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.725 0.424 -3.998 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.484 -1.632 -2.796 1.00 0.85 C ATOM 0 H VAL A 427 -3.257 -1.003 -4.862 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.635 -1.423 -6.133 1.00 0.46 H new ATOM 0 HB VAL A 427 0.313 -1.432 -3.924 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.303 0.790 -3.062 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.126 0.789 -4.833 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.748 0.785 -4.100 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.050 -1.230 -1.880 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.529 -1.331 -2.865 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.420 -2.720 -2.781 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.402 -3.894 -5.422 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.457 -5.339 -5.295 1.00 0.65 C ATOM 1048 C GLY A 428 -0.401 -5.797 -3.847 1.00 0.79 C ATOM 1049 O GLY A 428 0.094 -6.887 -3.559 1.00 1.72 O ATOM 0 H GLY A 428 0.501 -3.521 -5.714 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.375 -5.706 -5.754 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.374 -5.781 -5.845 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.919 -4.960 -2.940 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.943 -5.263 -1.505 1.00 0.54 C ATOM 1055 C ARG A 429 0.450 -5.180 -0.873 1.00 0.49 C ATOM 1056 O ARG A 429 0.591 -4.736 0.266 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.565 -6.643 -1.254 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.408 -7.150 0.174 1.00 0.83 C ATOM 1059 CD ARG A 429 -2.069 -6.220 1.182 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.984 -6.737 2.546 1.00 1.20 N ATOM 1061 CZ ARG A 429 -0.853 -6.820 3.243 1.00 1.26 C ATOM 1062 NH1 ARG A 429 0.286 -6.372 2.730 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -0.864 -7.339 4.463 1.00 1.65 N ATOM 0 H ARG A 429 -1.331 -4.058 -3.179 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.562 -4.504 -1.027 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.627 -6.600 -1.497 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.111 -7.363 -1.935 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.846 -8.145 0.256 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.348 -7.247 0.410 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.594 -5.240 1.136 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -3.116 -6.080 0.913 1.00 0.85 H new ATOM 0 HE ARG A 429 -2.845 -7.054 2.992 1.00 1.20 H new ATOM 0 HH11 ARG A 429 0.298 -5.961 1.796 1.00 1.73 H new ATOM 0 HH12 ARG A 429 1.149 -6.438 3.269 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -1.739 -7.674 4.867 1.00 1.65 H new ATOM 0 HH22 ARG A 429 0.002 -7.403 4.998 1.00 1.65 H new ATOM 1077 N HIS A 430 1.471 -5.613 -1.605 1.00 0.49 N ATOM 1078 CA HIS A 430 2.841 -5.588 -1.099 1.00 0.53 C ATOM 1079 C HIS A 430 3.280 -4.173 -0.726 1.00 0.47 C ATOM 1080 O HIS A 430 4.146 -3.993 0.131 1.00 0.49 O ATOM 1081 CB HIS A 430 3.802 -6.175 -2.135 1.00 0.65 C ATOM 1082 CG HIS A 430 3.819 -5.426 -3.432 1.00 0.77 C ATOM 1083 ND1 HIS A 430 2.708 -5.286 -4.236 1.00 1.20 N ATOM 1084 CD2 HIS A 430 4.823 -4.774 -4.065 1.00 1.47 C ATOM 1085 CE1 HIS A 430 3.028 -4.582 -5.308 1.00 1.31 C ATOM 1086 NE2 HIS A 430 4.305 -4.259 -5.227 1.00 1.46 N ATOM 0 H HIS A 430 1.377 -5.985 -2.550 1.00 0.49 H new ATOM 0 HA HIS A 430 2.867 -6.197 -0.195 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.809 -6.186 -1.718 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.526 -7.212 -2.328 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.842 -4.677 -3.720 1.00 1.47 H new ATOM 0 HE1 HIS A 430 2.359 -4.316 -6.113 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.823 -3.715 -5.917 1.00 1.46 H new ATOM 1095 N ARG A 431 2.693 -3.174 -1.379 1.00 0.43 N ATOM 1096 CA ARG A 431 3.047 -1.782 -1.116 1.00 0.41 C ATOM 1097 C ARG A 431 2.391 -1.257 0.160 1.00 0.37 C ATOM 1098 O ARG A 431 3.008 -0.505 0.909 1.00 0.57 O ATOM 1099 CB ARG A 431 2.665 -0.898 -2.300 1.00 0.44 C ATOM 1100 CG ARG A 431 3.431 -1.222 -3.570 1.00 0.53 C ATOM 1101 CD ARG A 431 3.064 -0.272 -4.694 1.00 0.64 C ATOM 1102 NE ARG A 431 3.360 1.119 -4.356 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.069 2.151 -5.143 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.467 1.957 -6.310 1.00 2.55 N ATOM 1105 NH2 ARG A 431 3.377 3.383 -4.761 1.00 2.84 N ATOM 0 H ARG A 431 1.974 -3.301 -2.091 1.00 0.43 H new ATOM 0 HA ARG A 431 4.127 -1.746 -0.975 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.597 -1.003 -2.492 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.840 0.145 -2.036 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.502 -1.163 -3.376 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.218 -2.247 -3.874 1.00 0.53 H new ATOM 0 HD2 ARG A 431 3.610 -0.550 -5.596 1.00 0.64 H new ATOM 0 HD3 ARG A 431 2.002 -0.372 -4.921 1.00 0.64 H new ATOM 0 HE ARG A 431 3.817 1.309 -3.464 1.00 1.39 H new ATOM 0 HH11 ARG A 431 2.225 1.012 -6.608 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.247 2.753 -6.909 1.00 2.55 H new ATOM 0 HH21 ARG A 431 3.837 3.539 -3.864 1.00 2.84 H new ATOM 0 HH22 ARG A 431 3.154 4.175 -5.364 1.00 2.84 H new ATOM 1119 N ILE A 432 1.146 -1.651 0.410 1.00 0.39 N ATOM 1120 CA ILE A 432 0.446 -1.203 1.611 1.00 0.36 C ATOM 1121 C ILE A 432 0.724 -2.150 2.771 1.00 0.38 C ATOM 1122 O ILE A 432 0.621 -3.368 2.627 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.080 -1.109 1.395 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.402 -0.135 0.262 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.769 -0.673 2.679 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.878 -0.057 -0.066 1.00 0.46 C ATOM 0 H ILE A 432 0.606 -2.271 -0.194 1.00 0.39 H new ATOM 0 HA ILE A 432 0.821 -0.206 1.842 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.451 -2.096 1.117 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.046 0.858 0.535 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.855 -0.436 -0.631 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.844 -0.611 2.512 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.565 -1.399 3.466 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.392 0.304 2.981 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.033 0.653 -0.879 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.236 -1.041 -0.370 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.429 0.273 0.814 1.00 0.46 H new ATOM 1138 N SER A 433 1.086 -1.588 3.922 1.00 0.34 N ATOM 1139 CA SER A 433 1.386 -2.402 5.096 1.00 0.38 C ATOM 1140 C SER A 433 1.173 -1.624 6.388 1.00 0.36 C ATOM 1141 O SER A 433 1.523 -0.448 6.485 1.00 0.34 O ATOM 1142 CB SER A 433 2.829 -2.905 5.037 1.00 0.41 C ATOM 1143 OG SER A 433 3.053 -3.685 3.874 1.00 0.53 O ATOM 0 H SER A 433 1.178 -0.582 4.066 1.00 0.34 H new ATOM 0 HA SER A 433 0.700 -3.249 5.090 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.513 -2.057 5.046 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.046 -3.500 5.924 1.00 0.41 H new ATOM 0 HG SER A 433 3.983 -3.992 3.860 1.00 0.53 H new ATOM 1149 N ASP A 434 0.606 -2.299 7.385 1.00 0.43 N ATOM 1150 CA ASP A 434 0.354 -1.686 8.683 1.00 0.48 C ATOM 1151 C ASP A 434 1.670 -1.335 9.368 1.00 0.48 C ATOM 1152 O ASP A 434 1.727 -0.432 10.203 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.472 -2.624 9.568 1.00 0.60 C ATOM 1154 CG ASP A 434 0.209 -3.960 9.797 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.314 -3.970 10.379 1.00 1.35 O ATOM 1156 OD2 ASP A 434 -0.361 -4.996 9.395 1.00 1.12 O ATOM 0 H ASP A 434 0.312 -3.273 7.317 1.00 0.43 H new ATOM 0 HA ASP A 434 -0.214 -0.769 8.527 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.654 -2.144 10.529 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.445 -2.791 9.106 1.00 0.60 H new ATOM 1161 N ASN A 435 2.725 -2.058 9.002 1.00 0.43 N ATOM 1162 CA ASN A 435 4.047 -1.827 9.572 1.00 0.47 C ATOM 1163 C ASN A 435 4.965 -1.187 8.536 1.00 0.39 C ATOM 1164 O ASN A 435 5.005 -1.608 7.380 1.00 0.38 O ATOM 1165 CB ASN A 435 4.654 -3.140 10.068 1.00 0.59 C ATOM 1166 CG ASN A 435 5.997 -2.937 10.742 1.00 1.26 C ATOM 1167 OD1 ASN A 435 6.098 -2.242 11.753 1.00 2.16 O ATOM 1168 ND2 ASN A 435 7.039 -3.541 10.183 1.00 1.81 N ATOM 0 H ASN A 435 2.689 -2.809 8.313 1.00 0.43 H new ATOM 0 HA ASN A 435 3.942 -1.149 10.419 1.00 0.47 H new ATOM 0 HB2 ASN A 435 3.966 -3.613 10.769 1.00 0.59 H new ATOM 0 HB3 ASN A 435 4.772 -3.823 9.227 1.00 0.59 H new ATOM 0 HD21 ASN A 435 7.968 -3.438 10.592 1.00 1.81 H new ATOM 0 HD22 ASN A 435 6.911 -4.108 9.345 1.00 1.81 H new ATOM 1175 N ALA A 436 5.685 -0.155 8.955 1.00 0.49 N ATOM 1176 CA ALA A 436 6.589 0.566 8.067 1.00 0.55 C ATOM 1177 C ALA A 436 7.803 -0.272 7.671 1.00 0.55 C ATOM 1178 O ALA A 436 8.217 -0.263 6.512 1.00 0.54 O ATOM 1179 CB ALA A 436 7.032 1.861 8.723 1.00 0.75 C ATOM 0 H ALA A 436 5.661 0.204 9.910 1.00 0.49 H new ATOM 0 HA ALA A 436 6.042 0.789 7.151 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.707 2.395 8.055 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.160 2.481 8.929 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.548 1.638 9.657 1.00 0.75 H new ATOM 1185 N ASP A 437 8.383 -0.978 8.636 1.00 0.65 N ATOM 1186 CA ASP A 437 9.563 -1.800 8.376 1.00 0.75 C ATOM 1187 C ASP A 437 9.296 -2.838 7.288 1.00 0.71 C ATOM 1188 O ASP A 437 10.149 -3.079 6.433 1.00 0.78 O ATOM 1189 CB ASP A 437 10.020 -2.496 9.660 1.00 0.92 C ATOM 1190 CG ASP A 437 10.339 -1.513 10.769 1.00 1.02 C ATOM 1191 OD1 ASP A 437 11.229 -0.661 10.569 1.00 1.34 O ATOM 1192 OD2 ASP A 437 9.697 -1.595 11.837 1.00 1.34 O ATOM 0 H ASP A 437 8.058 -0.999 9.603 1.00 0.65 H new ATOM 0 HA ASP A 437 10.354 -1.138 8.024 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.240 -3.179 9.997 1.00 0.92 H new ATOM 0 HB3 ASP A 437 10.903 -3.100 9.448 1.00 0.92 H new ATOM 1197 N ASP A 438 8.113 -3.444 7.318 1.00 0.68 N ATOM 1198 CA ASP A 438 7.747 -4.448 6.321 1.00 0.73 C ATOM 1199 C ASP A 438 7.864 -3.871 4.916 1.00 0.73 C ATOM 1200 O ASP A 438 8.238 -4.569 3.973 1.00 1.35 O ATOM 1201 CB ASP A 438 6.324 -4.957 6.566 1.00 0.88 C ATOM 1202 CG ASP A 438 6.197 -5.715 7.872 1.00 1.08 C ATOM 1203 OD1 ASP A 438 7.224 -5.892 8.560 1.00 1.36 O ATOM 1204 OD2 ASP A 438 5.070 -6.139 8.205 1.00 1.56 O ATOM 0 H ASP A 438 7.394 -3.260 8.017 1.00 0.68 H new ATOM 0 HA ASP A 438 8.436 -5.287 6.413 1.00 0.73 H new ATOM 0 HB2 ASP A 438 5.635 -4.112 6.571 1.00 0.88 H new ATOM 0 HB3 ASP A 438 6.027 -5.606 5.742 1.00 0.88 H new ATOM 1209 N LEU A 439 7.544 -2.588 4.790 1.00 0.54 N ATOM 1210 CA LEU A 439 7.612 -1.894 3.511 1.00 0.53 C ATOM 1211 C LEU A 439 9.016 -1.973 2.914 1.00 0.61 C ATOM 1212 O LEU A 439 9.293 -2.822 2.065 1.00 0.86 O ATOM 1213 CB LEU A 439 7.194 -0.432 3.682 1.00 0.52 C ATOM 1214 CG LEU A 439 5.769 -0.219 4.185 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.534 1.248 4.482 1.00 1.12 C ATOM 1216 CD2 LEU A 439 4.760 -0.716 3.167 1.00 1.10 C ATOM 0 H LEU A 439 7.232 -2.004 5.566 1.00 0.54 H new ATOM 0 HA LEU A 439 6.924 -2.385 2.823 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.883 0.047 4.377 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.304 0.075 2.723 1.00 0.52 H new ATOM 0 HG LEU A 439 5.639 -0.791 5.104 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.514 1.388 4.840 1.00 1.12 H new ATOM 0 HD12 LEU A 439 6.236 1.581 5.246 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.683 1.832 3.573 1.00 1.12 H new ATOM 0 HD21 LEU A 439 3.751 -0.554 3.546 1.00 1.10 H new ATOM 0 HD22 LEU A 439 4.888 -0.171 2.232 1.00 1.10 H new ATOM 0 HD23 LEU A 439 4.915 -1.780 2.991 1.00 1.10 H new ATOM 1228 N GLY A 440 9.898 -1.080 3.357 1.00 0.59 N ATOM 1229 CA GLY A 440 11.254 -1.057 2.853 1.00 0.77 C ATOM 1230 C GLY A 440 12.157 -0.163 3.682 1.00 0.96 C ATOM 1231 O GLY A 440 13.367 -0.380 3.752 1.00 1.36 O ATOM 0 H GLY A 440 9.693 -0.370 4.060 1.00 0.59 H new ATOM 0 HA2 GLY A 440 11.655 -2.071 2.847 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.250 -0.709 1.820 1.00 0.77 H new ATOM 1235 N GLY A 441 11.560 0.852 4.304 1.00 0.93 N ATOM 1236 CA GLY A 441 12.320 1.784 5.120 1.00 1.24 C ATOM 1237 C GLY A 441 11.646 3.139 5.217 1.00 1.14 C ATOM 1238 O GLY A 441 11.060 3.607 4.243 1.00 1.83 O ATOM 0 H GLY A 441 10.560 1.045 4.257 1.00 0.93 H new ATOM 0 HA2 GLY A 441 12.446 1.370 6.120 1.00 1.24 H new ATOM 0 HA3 GLY A 441 13.317 1.905 4.697 1.00 1.24 H new ATOM 1242 N ILE A 442 11.732 3.771 6.387 1.00 1.10 N ATOM 1243 CA ILE A 442 11.128 5.083 6.601 1.00 1.03 C ATOM 1244 C ILE A 442 11.757 6.129 5.681 1.00 1.05 C ATOM 1245 O ILE A 442 12.598 6.923 6.105 1.00 1.39 O ATOM 1246 CB ILE A 442 11.276 5.541 8.070 1.00 1.26 C ATOM 1247 CG1 ILE A 442 10.613 4.534 9.013 1.00 1.41 C ATOM 1248 CG2 ILE A 442 10.676 6.928 8.266 1.00 1.38 C ATOM 1249 CD1 ILE A 442 9.114 4.415 8.823 1.00 1.48 C ATOM 0 H ILE A 442 12.215 3.394 7.202 1.00 1.10 H new ATOM 0 HA ILE A 442 10.067 4.988 6.369 1.00 1.03 H new ATOM 0 HB ILE A 442 12.339 5.592 8.307 1.00 1.26 H new ATOM 0 HG12 ILE A 442 11.068 3.555 8.862 1.00 1.41 H new ATOM 0 HG13 ILE A 442 10.818 4.826 10.043 1.00 1.41 H new ATOM 0 HG21 ILE A 442 10.791 7.230 9.307 1.00 1.38 H new ATOM 0 HG22 ILE A 442 11.190 7.641 7.622 1.00 1.38 H new ATOM 0 HG23 ILE A 442 9.617 6.906 8.010 1.00 1.38 H new ATOM 0 HD11 ILE A 442 8.715 3.683 9.526 1.00 1.48 H new ATOM 0 HD12 ILE A 442 8.646 5.383 9.003 1.00 1.48 H new ATOM 0 HD13 ILE A 442 8.901 4.093 7.804 1.00 1.48 H new ATOM 1261 N THR A 443 11.346 6.120 4.419 1.00 1.13 N ATOM 1262 CA THR A 443 11.866 7.063 3.443 1.00 1.36 C ATOM 1263 C THR A 443 10.936 8.260 3.316 1.00 1.47 C ATOM 1264 O THR A 443 10.454 8.585 2.230 1.00 2.20 O ATOM 1265 CB THR A 443 12.052 6.407 2.065 1.00 2.21 C ATOM 1266 OG1 THR A 443 12.785 5.183 2.207 1.00 3.05 O ATOM 1267 CG2 THR A 443 12.799 7.330 1.116 1.00 2.78 C ATOM 0 H THR A 443 10.653 5.469 4.049 1.00 1.13 H new ATOM 0 HA THR A 443 12.842 7.395 3.798 1.00 1.36 H new ATOM 0 HB THR A 443 11.065 6.205 1.650 1.00 2.21 H new ATOM 0 HG1 THR A 443 12.340 4.610 2.866 1.00 3.05 H new ATOM 0 HG21 THR A 443 12.916 6.840 0.149 1.00 2.78 H new ATOM 0 HG22 THR A 443 12.235 8.254 0.989 1.00 2.78 H new ATOM 0 HG23 THR A 443 13.782 7.558 1.529 1.00 2.78 H new ATOM 1275 N VAL A 444 10.670 8.899 4.444 1.00 1.90 N ATOM 1276 CA VAL A 444 9.789 10.046 4.483 1.00 2.70 C ATOM 1277 C VAL A 444 10.560 11.349 4.266 1.00 3.02 C ATOM 1278 O VAL A 444 11.445 11.694 5.049 1.00 3.60 O ATOM 1279 CB VAL A 444 9.058 10.110 5.834 1.00 3.53 C ATOM 1280 CG1 VAL A 444 8.024 11.216 5.829 1.00 4.18 C ATOM 1281 CG2 VAL A 444 8.421 8.766 6.160 1.00 4.02 C ATOM 0 H VAL A 444 11.058 8.637 5.350 1.00 1.90 H new ATOM 0 HA VAL A 444 9.065 9.932 3.677 1.00 2.70 H new ATOM 0 HB VAL A 444 9.787 10.336 6.612 1.00 3.53 H new ATOM 0 HG11 VAL A 444 7.518 11.245 6.794 1.00 4.18 H new ATOM 0 HG12 VAL A 444 8.515 12.172 5.648 1.00 4.18 H new ATOM 0 HG13 VAL A 444 7.294 11.028 5.042 1.00 4.18 H new ATOM 0 HG21 VAL A 444 7.908 8.830 7.120 1.00 4.02 H new ATOM 0 HG22 VAL A 444 7.704 8.505 5.382 1.00 4.02 H new ATOM 0 HG23 VAL A 444 9.195 8.000 6.212 1.00 4.02 H new ATOM 1291 N LEU A 445 10.213 12.069 3.204 1.00 3.13 N ATOM 1292 CA LEU A 445 10.860 13.332 2.885 1.00 3.83 C ATOM 1293 C LEU A 445 9.916 14.276 2.132 1.00 4.75 C ATOM 1294 O LEU A 445 10.220 14.718 1.024 1.00 4.99 O ATOM 1295 CB LEU A 445 12.142 13.108 2.073 1.00 3.87 C ATOM 1296 CG LEU A 445 12.146 11.943 1.064 1.00 3.48 C ATOM 1297 CD1 LEU A 445 12.442 10.629 1.766 1.00 3.82 C ATOM 1298 CD2 LEU A 445 10.830 11.849 0.304 1.00 3.70 C ATOM 0 H LEU A 445 9.482 11.795 2.547 1.00 3.13 H new ATOM 0 HA LEU A 445 11.126 13.803 3.832 1.00 3.83 H new ATOM 0 HB2 LEU A 445 12.361 14.026 1.528 1.00 3.87 H new ATOM 0 HB3 LEU A 445 12.962 12.950 2.774 1.00 3.87 H new ATOM 0 HG LEU A 445 12.935 12.144 0.339 1.00 3.48 H new ATOM 0 HD11 LEU A 445 12.440 9.819 1.037 1.00 3.82 H new ATOM 0 HD12 LEU A 445 13.420 10.684 2.245 1.00 3.82 H new ATOM 0 HD13 LEU A 445 11.679 10.440 2.521 1.00 3.82 H new ATOM 0 HD21 LEU A 445 10.873 11.015 -0.397 1.00 3.70 H new ATOM 0 HD22 LEU A 445 10.014 11.689 1.008 1.00 3.70 H new ATOM 0 HD23 LEU A 445 10.659 12.776 -0.244 1.00 3.70 H new ATOM 1310 N PRO A 446 8.758 14.605 2.735 1.00 5.56 N ATOM 1311 CA PRO A 446 7.770 15.505 2.128 1.00 6.59 C ATOM 1312 C PRO A 446 8.281 16.938 2.039 1.00 7.07 C ATOM 1313 O PRO A 446 9.102 17.362 2.853 1.00 7.26 O ATOM 1314 CB PRO A 446 6.562 15.426 3.075 1.00 7.40 C ATOM 1315 CG PRO A 446 6.826 14.255 3.962 1.00 6.97 C ATOM 1316 CD PRO A 446 8.318 14.140 4.056 1.00 5.82 C ATOM 0 HA PRO A 446 7.535 15.214 1.104 1.00 6.59 H new ATOM 0 HB2 PRO A 446 6.458 16.343 3.656 1.00 7.40 H new ATOM 0 HB3 PRO A 446 5.634 15.295 2.518 1.00 7.40 H new ATOM 0 HG2 PRO A 446 6.383 14.403 4.947 1.00 6.97 H new ATOM 0 HG3 PRO A 446 6.389 13.346 3.549 1.00 6.97 H new ATOM 0 HD2 PRO A 446 8.722 14.757 4.858 1.00 5.82 H new ATOM 0 HD3 PRO A 446 8.634 13.115 4.251 1.00 5.82 H new ATOM 1324 N ALA A 447 7.791 17.679 1.047 1.00 7.52 N ATOM 1325 CA ALA A 447 8.199 19.068 0.857 1.00 8.19 C ATOM 1326 C ALA A 447 8.098 19.849 2.166 1.00 8.83 C ATOM 1327 O ALA A 447 7.143 19.681 2.923 1.00 9.06 O ATOM 1328 CB ALA A 447 7.348 19.725 -0.220 1.00 8.42 C ATOM 0 H ALA A 447 7.113 17.341 0.364 1.00 7.52 H new ATOM 0 HA ALA A 447 9.240 19.078 0.536 1.00 8.19 H new ATOM 0 HB1 ALA A 447 7.663 20.760 -0.351 1.00 8.42 H new ATOM 0 HB2 ALA A 447 7.471 19.186 -1.160 1.00 8.42 H new ATOM 0 HB3 ALA A 447 6.300 19.700 0.079 1.00 8.42 H new ATOM 1334 N PRO A 448 9.093 20.708 2.458 1.00 9.38 N ATOM 1335 CA PRO A 448 9.110 21.503 3.692 1.00 10.23 C ATOM 1336 C PRO A 448 7.867 22.378 3.844 1.00 10.87 C ATOM 1337 O PRO A 448 7.630 23.277 3.037 1.00 11.06 O ATOM 1338 CB PRO A 448 10.361 22.377 3.542 1.00 10.80 C ATOM 1339 CG PRO A 448 11.220 21.656 2.562 1.00 10.31 C ATOM 1340 CD PRO A 448 10.278 20.964 1.619 1.00 9.48 C ATOM 0 HA PRO A 448 9.120 20.868 4.578 1.00 10.23 H new ATOM 0 HB2 PRO A 448 10.105 23.374 3.184 1.00 10.80 H new ATOM 0 HB3 PRO A 448 10.872 22.503 4.497 1.00 10.80 H new ATOM 0 HG2 PRO A 448 11.869 22.350 2.027 1.00 10.31 H new ATOM 0 HG3 PRO A 448 11.867 20.937 3.065 1.00 10.31 H new ATOM 0 HD2 PRO A 448 10.036 21.589 0.760 1.00 9.48 H new ATOM 0 HD3 PRO A 448 10.704 20.039 1.230 1.00 9.48 H new ATOM 1348 N PRO A 449 7.056 22.127 4.889 1.00 11.41 N ATOM 1349 CA PRO A 449 5.842 22.887 5.156 1.00 12.23 C ATOM 1350 C PRO A 449 6.113 24.135 5.986 1.00 13.10 C ATOM 1351 O PRO A 449 7.245 24.615 6.056 1.00 13.50 O ATOM 1352 CB PRO A 449 4.970 21.899 5.951 1.00 12.72 C ATOM 1353 CG PRO A 449 5.839 20.713 6.260 1.00 12.39 C ATOM 1354 CD PRO A 449 7.251 21.088 5.901 1.00 11.49 C ATOM 0 HA PRO A 449 5.377 23.247 4.238 1.00 12.23 H new ATOM 0 HB2 PRO A 449 4.601 22.359 6.868 1.00 12.72 H new ATOM 0 HB3 PRO A 449 4.097 21.599 5.371 1.00 12.72 H new ATOM 0 HG2 PRO A 449 5.768 20.449 7.315 1.00 12.39 H new ATOM 0 HG3 PRO A 449 5.516 19.841 5.691 1.00 12.39 H new ATOM 0 HD2 PRO A 449 7.804 21.460 6.764 1.00 11.49 H new ATOM 0 HD3 PRO A 449 7.809 20.238 5.508 1.00 11.49 H new ATOM 1362 N LEU A 450 5.066 24.651 6.618 1.00 13.55 N ATOM 1363 CA LEU A 450 5.183 25.839 7.456 1.00 14.50 C ATOM 1364 C LEU A 450 5.618 25.460 8.870 1.00 14.96 C ATOM 1365 O LEU A 450 5.013 25.892 9.852 1.00 15.17 O ATOM 1366 CB LEU A 450 3.852 26.594 7.498 1.00 15.07 C ATOM 1367 CG LEU A 450 3.321 27.056 6.138 1.00 15.25 C ATOM 1368 CD1 LEU A 450 2.003 27.797 6.306 1.00 15.76 C ATOM 1369 CD2 LEU A 450 4.342 27.937 5.432 1.00 15.35 C ATOM 0 H LEU A 450 4.124 24.264 6.566 1.00 13.55 H new ATOM 0 HA LEU A 450 5.943 26.490 7.023 1.00 14.50 H new ATOM 0 HB2 LEU A 450 3.103 25.953 7.964 1.00 15.07 H new ATOM 0 HB3 LEU A 450 3.968 27.467 8.140 1.00 15.07 H new ATOM 0 HG LEU A 450 3.147 26.174 5.521 1.00 15.25 H new ATOM 0 HD11 LEU A 450 1.639 28.119 5.330 1.00 15.76 H new ATOM 0 HD12 LEU A 450 1.270 27.135 6.766 1.00 15.76 H new ATOM 0 HD13 LEU A 450 2.154 28.669 6.942 1.00 15.76 H new ATOM 0 HD21 LEU A 450 3.944 28.254 4.468 1.00 15.35 H new ATOM 0 HD22 LEU A 450 4.551 28.814 6.044 1.00 15.35 H new ATOM 0 HD23 LEU A 450 5.263 27.375 5.277 1.00 15.35 H new ATOM 1381 N ALA A 451 6.667 24.643 8.959 1.00 15.28 N ATOM 1382 CA ALA A 451 7.194 24.185 10.242 1.00 15.91 C ATOM 1383 C ALA A 451 6.198 23.265 10.953 1.00 16.47 C ATOM 1384 O ALA A 451 5.023 23.600 11.095 1.00 16.74 O ATOM 1385 CB ALA A 451 7.552 25.370 11.129 1.00 16.18 C ATOM 0 H ALA A 451 7.172 24.283 8.149 1.00 15.28 H new ATOM 0 HA ALA A 451 8.100 23.612 10.045 1.00 15.91 H new ATOM 0 HB1 ALA A 451 7.943 25.008 12.080 1.00 16.18 H new ATOM 0 HB2 ALA A 451 8.308 25.979 10.634 1.00 16.18 H new ATOM 0 HB3 ALA A 451 6.661 25.972 11.308 1.00 16.18 H new ATOM 1391 N PRO A 452 6.660 22.084 11.407 1.00 16.82 N ATOM 1392 CA PRO A 452 5.804 21.112 12.100 1.00 17.52 C ATOM 1393 C PRO A 452 5.377 21.581 13.489 1.00 18.21 C ATOM 1394 O PRO A 452 6.181 22.130 14.241 1.00 18.53 O ATOM 1395 CB PRO A 452 6.692 19.870 12.209 1.00 17.79 C ATOM 1396 CG PRO A 452 8.083 20.398 12.181 1.00 17.36 C ATOM 1397 CD PRO A 452 8.049 21.600 11.278 1.00 16.73 C ATOM 0 HA PRO A 452 4.871 20.946 11.562 1.00 17.52 H new ATOM 0 HB2 PRO A 452 6.495 19.322 13.130 1.00 17.79 H new ATOM 0 HB3 PRO A 452 6.513 19.181 11.383 1.00 17.79 H new ATOM 0 HG2 PRO A 452 8.418 20.671 13.182 1.00 17.36 H new ATOM 0 HG3 PRO A 452 8.778 19.647 11.806 1.00 17.36 H new ATOM 0 HD2 PRO A 452 8.769 22.357 11.589 1.00 16.73 H new ATOM 0 HD3 PRO A 452 8.289 21.336 10.248 1.00 16.73 H new ATOM 1405 N ASP A 453 4.105 21.348 13.819 1.00 18.57 N ATOM 1406 CA ASP A 453 3.551 21.730 15.119 1.00 19.36 C ATOM 1407 C ASP A 453 3.556 23.245 15.308 1.00 19.52 C ATOM 1408 O ASP A 453 4.536 23.920 14.993 1.00 19.55 O ATOM 1409 CB ASP A 453 4.332 21.060 16.251 1.00 19.71 C ATOM 1410 CG ASP A 453 4.266 19.547 16.184 1.00 20.25 C ATOM 1411 OD1 ASP A 453 3.146 18.998 16.254 1.00 20.48 O ATOM 1412 OD2 ASP A 453 5.333 18.911 16.062 1.00 20.55 O ATOM 0 H ASP A 453 3.435 20.893 13.199 1.00 18.57 H new ATOM 0 HA ASP A 453 2.516 21.390 15.147 1.00 19.36 H new ATOM 0 HB2 ASP A 453 5.374 21.378 16.207 1.00 19.71 H new ATOM 0 HB3 ASP A 453 3.937 21.396 17.210 1.00 19.71 H new ATOM 1417 N GLN A 454 2.450 23.770 15.831 1.00 19.77 N ATOM 1418 CA GLN A 454 2.315 25.204 16.073 1.00 20.09 C ATOM 1419 C GLN A 454 2.512 25.998 14.784 1.00 20.37 C ATOM 1420 O GLN A 454 3.655 26.435 14.527 1.00 20.63 O ATOM 1421 CB GLN A 454 3.321 25.664 17.131 1.00 20.30 C ATOM 1422 CG GLN A 454 3.191 24.927 18.455 1.00 20.53 C ATOM 1423 CD GLN A 454 1.820 25.087 19.081 1.00 20.93 C ATOM 1424 OE1 GLN A 454 1.385 26.200 19.373 1.00 21.22 O ATOM 1425 NE2 GLN A 454 1.134 23.970 19.293 1.00 21.08 N ATOM 1426 OXT GLN A 454 1.524 26.172 14.041 1.00 20.45 O ATOM 0 H GLN A 454 1.632 23.221 16.096 1.00 19.77 H new ATOM 0 HA GLN A 454 1.305 25.389 16.439 1.00 20.09 H new ATOM 0 HB2 GLN A 454 4.331 25.525 16.745 1.00 20.30 H new ATOM 0 HB3 GLN A 454 3.190 26.732 17.305 1.00 20.30 H new ATOM 0 HG2 GLN A 454 3.393 23.867 18.298 1.00 20.53 H new ATOM 0 HG3 GLN A 454 3.947 25.296 19.147 1.00 20.53 H new ATOM 0 HE21 GLN A 454 1.535 23.068 19.035 1.00 21.08 H new ATOM 0 HE22 GLN A 454 0.206 24.014 19.714 1.00 21.08 H new TER 1435 GLN A 454