USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 243 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 10 SER OG : rot -108:sc= 0.775 USER MOD Set 1.2: A 51 SER OG : rot -177:sc= 1.23 USER MOD Set 2.1: A 32 HIS : no HD1:sc= -2.8! K(o=-3.1!,f=-2.6) USER MOD Set 2.2: A 108 HIS : no HE2:sc= -0.348 K(o=-3.1,f=-9.8!) USER MOD Set 3.1: A 5 GLN : amide:sc= 1.09 K(o=2.2,f=-4!) USER MOD Set 3.2: A 39 SER OG : rot 172:sc= 1.16 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -154:sc= -1.18 (180deg=-2.46!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 77:sc= 0.155 USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00625) USER MOD Single : A 22 TYR OH : rot 165:sc= 0 USER MOD Single : A 23 TYR OH : rot -14:sc= -0.701 USER MOD Single : A 25 ASN : amide:sc= -1.82 K(o=-1.8,f=-0.061) USER MOD Single : A 34 GLN : amide:sc=-0.00646 K(o=-0.0065,f=-0.7) USER MOD Single : A 37 ASN : amide:sc= -0.0655 X(o=-0.065,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.48 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.651) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -130:sc= 0.445 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.937 K(o=-0.94,f=-6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 1.96 K(o=2,f=-6.4!) USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= -1.18 (180deg=-1.38) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 72 ASN : amide:sc= -0.0029 K(o=-0.0029,f=-1.1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -27:sc= 0.927 USER MOD Single : A 83 ASN : amide:sc= -2.11! K(o=-2.1!,f=-0.051) USER MOD Single : A 85 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.19) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 178:sc= 0 (180deg=-0.00543) USER MOD Single : A 93 ASN : amide:sc= -0.733 K(o=-0.73,f=-2.2!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -158:sc= -0.114 (180deg=-0.776) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0106) USER MOD Single : A 109 LYS NZ :NH3+ 162:sc= 0.301 (180deg=-0.315) USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 4 3.015 -10.037 -8.566 1.00 0.00 N ATOM 26 CA GLU A 4 3.602 -9.126 -9.575 1.00 0.00 C ATOM 27 C GLU A 4 2.841 -9.168 -10.921 1.00 0.00 C ATOM 28 O GLU A 4 3.407 -9.425 -11.982 1.00 0.00 O ATOM 29 CB GLU A 4 5.095 -9.429 -9.775 1.00 0.00 C ATOM 30 CG GLU A 4 5.972 -8.984 -8.602 1.00 0.00 C ATOM 31 CD GLU A 4 7.450 -9.162 -8.948 1.00 0.00 C ATOM 32 OE1 GLU A 4 7.973 -10.264 -8.681 1.00 0.00 O ATOM 33 OE2 GLU A 4 8.018 -8.191 -9.498 1.00 0.00 O ATOM 0 HA GLU A 4 3.501 -8.111 -9.190 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.223 -10.501 -9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.439 -8.935 -10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.770 -7.940 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.727 -9.566 -7.714 1.00 0.00 H new ATOM 35 N GLN A 5 1.525 -8.995 -10.819 1.00 0.00 N ATOM 36 CA GLN A 5 0.570 -9.018 -11.950 1.00 0.00 C ATOM 37 C GLN A 5 -0.783 -8.535 -11.407 1.00 0.00 C ATOM 38 O GLN A 5 -1.293 -9.107 -10.443 1.00 0.00 O ATOM 39 CB GLN A 5 0.434 -10.445 -12.508 1.00 0.00 C ATOM 40 CG GLN A 5 0.488 -10.503 -14.041 1.00 0.00 C ATOM 41 CD GLN A 5 -0.828 -10.185 -14.762 1.00 0.00 C ATOM 42 OE1 GLN A 5 -1.676 -9.416 -14.336 1.00 0.00 O ATOM 43 NE2 GLN A 5 -1.000 -10.745 -15.938 1.00 0.00 N ATOM 0 H GLN A 5 1.068 -8.829 -9.922 1.00 0.00 H new ATOM 0 HA GLN A 5 0.918 -8.377 -12.760 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.231 -11.065 -12.099 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.509 -10.873 -12.168 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.249 -9.804 -14.387 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.813 -11.500 -14.338 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.298 -11.389 -16.304 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.835 -10.536 -16.485 1.00 0.00 H new ATOM 47 N PHE A 6 -1.149 -7.336 -11.852 1.00 0.00 N ATOM 48 CA PHE A 6 -2.339 -6.576 -11.413 1.00 0.00 C ATOM 49 C PHE A 6 -2.400 -6.309 -9.905 1.00 0.00 C ATOM 50 O PHE A 6 -2.838 -7.128 -9.097 1.00 0.00 O ATOM 51 CB PHE A 6 -3.654 -7.186 -11.916 1.00 0.00 C ATOM 52 CG PHE A 6 -4.249 -6.552 -13.185 1.00 0.00 C ATOM 53 CD1 PHE A 6 -3.978 -5.238 -13.569 1.00 0.00 C ATOM 54 CD2 PHE A 6 -5.336 -7.203 -13.756 1.00 0.00 C ATOM 55 CE1 PHE A 6 -4.808 -4.578 -14.467 1.00 0.00 C ATOM 56 CE2 PHE A 6 -6.169 -6.546 -14.653 1.00 0.00 C ATOM 57 CZ PHE A 6 -5.912 -5.228 -15.003 1.00 0.00 C ATOM 0 H PHE A 6 -0.608 -6.837 -12.559 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.217 -5.602 -11.887 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.490 -8.247 -12.106 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.393 -7.116 -11.118 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.115 -4.729 -13.165 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -5.536 -8.233 -13.499 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.594 -3.558 -14.749 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.017 -7.062 -15.078 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.567 -4.711 -15.688 1.00 0.00 H new ATOM 64 N GLU A 7 -1.815 -5.176 -9.546 1.00 0.00 N ATOM 65 CA GLU A 7 -1.771 -4.727 -8.143 1.00 0.00 C ATOM 66 C GLU A 7 -2.462 -3.356 -8.037 1.00 0.00 C ATOM 67 O GLU A 7 -1.882 -2.320 -8.357 1.00 0.00 O ATOM 68 CB GLU A 7 -0.317 -4.669 -7.648 1.00 0.00 C ATOM 69 CG GLU A 7 0.558 -5.891 -7.973 1.00 0.00 C ATOM 70 CD GLU A 7 0.026 -7.237 -7.467 1.00 0.00 C ATOM 71 OE1 GLU A 7 -0.577 -7.272 -6.376 1.00 0.00 O ATOM 72 OE2 GLU A 7 0.330 -8.248 -8.148 1.00 0.00 O ATOM 0 H GLU A 7 -1.360 -4.542 -10.202 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.301 -5.435 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.156 -3.785 -8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.328 -4.533 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.680 -5.952 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.549 -5.729 -7.549 1.00 0.00 H new ATOM 74 N LEU A 8 -3.758 -3.419 -7.748 1.00 0.00 N ATOM 75 CA LEU A 8 -4.636 -2.230 -7.686 1.00 0.00 C ATOM 76 C LEU A 8 -5.024 -1.905 -6.238 1.00 0.00 C ATOM 77 O LEU A 8 -5.688 -2.687 -5.559 1.00 0.00 O ATOM 78 CB LEU A 8 -5.918 -2.407 -8.521 1.00 0.00 C ATOM 79 CG LEU A 8 -5.800 -2.474 -10.056 1.00 0.00 C ATOM 80 CD1 LEU A 8 -5.009 -1.304 -10.645 1.00 0.00 C ATOM 81 CD2 LEU A 8 -5.285 -3.828 -10.546 1.00 0.00 C ATOM 0 H LEU A 8 -4.242 -4.294 -7.548 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.062 -1.405 -8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.406 -3.323 -8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.587 -1.582 -8.277 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.816 -2.373 -10.436 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.960 -1.407 -11.729 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.503 -0.366 -10.391 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.999 -1.304 -10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.221 -3.821 -11.634 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.297 -4.015 -10.126 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.970 -4.614 -10.228 1.00 0.00 H new ATOM 83 N PHE A 9 -4.500 -0.780 -5.772 1.00 0.00 N ATOM 84 CA PHE A 9 -4.713 -0.309 -4.387 1.00 0.00 C ATOM 85 C PHE A 9 -5.349 1.092 -4.335 1.00 0.00 C ATOM 86 O PHE A 9 -5.076 1.953 -5.169 1.00 0.00 O ATOM 87 CB PHE A 9 -3.379 -0.319 -3.633 1.00 0.00 C ATOM 88 CG PHE A 9 -2.717 -1.700 -3.600 1.00 0.00 C ATOM 89 CD1 PHE A 9 -3.036 -2.604 -2.592 1.00 0.00 C ATOM 90 CD2 PHE A 9 -1.754 -2.031 -4.543 1.00 0.00 C ATOM 91 CE1 PHE A 9 -2.387 -3.831 -2.521 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.101 -3.254 -4.464 1.00 0.00 C ATOM 93 CZ PHE A 9 -1.417 -4.158 -3.459 1.00 0.00 C ATOM 0 H PHE A 9 -3.915 -0.161 -6.332 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.415 -0.991 -3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.699 0.392 -4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.544 0.023 -2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.791 -2.351 -1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.513 -1.339 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.637 -4.530 -1.736 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.341 -3.504 -5.190 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.911 -5.111 -3.407 1.00 0.00 H new ATOM 100 N SER A 10 -6.229 1.270 -3.356 1.00 0.00 N ATOM 101 CA SER A 10 -6.926 2.553 -3.101 1.00 0.00 C ATOM 102 C SER A 10 -6.975 2.872 -1.600 1.00 0.00 C ATOM 103 O SER A 10 -7.342 2.010 -0.799 1.00 0.00 O ATOM 104 CB SER A 10 -8.365 2.481 -3.624 1.00 0.00 C ATOM 105 OG SER A 10 -9.049 3.707 -3.342 1.00 0.00 O ATOM 0 H SER A 10 -6.490 0.530 -2.704 1.00 0.00 H new ATOM 0 HA SER A 10 -6.370 3.336 -3.617 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.362 2.295 -4.698 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.889 1.647 -3.158 1.00 0.00 H new ATOM 0 HG SER A 10 -9.703 3.560 -2.627 1.00 0.00 H new ATOM 108 N ILE A 11 -6.661 4.119 -1.257 1.00 0.00 N ATOM 109 CA ILE A 11 -6.819 4.595 0.139 1.00 0.00 C ATOM 110 C ILE A 11 -8.262 5.069 0.427 1.00 0.00 C ATOM 111 O ILE A 11 -8.954 5.615 -0.428 1.00 0.00 O ATOM 112 CB ILE A 11 -5.744 5.633 0.528 1.00 0.00 C ATOM 113 CG1 ILE A 11 -5.589 5.679 2.061 1.00 0.00 C ATOM 114 CG2 ILE A 11 -6.010 7.030 -0.059 1.00 0.00 C ATOM 115 CD1 ILE A 11 -4.324 6.388 2.563 1.00 0.00 C ATOM 0 H ILE A 11 -6.300 4.818 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.649 3.740 0.793 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.802 5.308 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.460 6.179 2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.591 4.658 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.219 7.712 0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.030 6.970 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.970 7.400 0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.304 6.369 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.443 5.877 2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.325 7.422 2.218 1.00 0.00 H new ATOM 117 N ASP A 12 -8.668 4.833 1.666 1.00 0.00 N ATOM 118 CA ASP A 12 -9.932 5.343 2.246 1.00 0.00 C ATOM 119 C ASP A 12 -10.075 6.877 2.353 1.00 0.00 C ATOM 120 O ASP A 12 -11.154 7.348 2.686 1.00 0.00 O ATOM 121 CB ASP A 12 -10.109 4.717 3.631 1.00 0.00 C ATOM 122 CG ASP A 12 -11.560 4.293 3.861 1.00 0.00 C ATOM 123 OD1 ASP A 12 -11.940 3.255 3.278 1.00 0.00 O ATOM 124 OD2 ASP A 12 -12.275 5.054 4.545 1.00 0.00 O ATOM 0 H ASP A 12 -8.126 4.271 2.322 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.712 5.053 1.542 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.454 3.851 3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.810 5.432 4.398 1.00 0.00 H new ATOM 126 N LYS A 13 -8.977 7.605 2.135 1.00 0.00 N ATOM 127 CA LYS A 13 -8.850 9.071 2.359 1.00 0.00 C ATOM 128 C LYS A 13 -9.141 9.497 3.820 1.00 0.00 C ATOM 129 O LYS A 13 -9.319 10.675 4.110 1.00 0.00 O ATOM 130 CB LYS A 13 -9.756 9.824 1.375 1.00 0.00 C ATOM 131 CG LYS A 13 -9.338 11.271 1.086 1.00 0.00 C ATOM 132 CD LYS A 13 -10.500 12.227 1.381 1.00 0.00 C ATOM 133 CE LYS A 13 -10.582 13.404 0.401 1.00 0.00 C ATOM 134 NZ LYS A 13 -9.383 14.257 0.392 1.00 0.00 N ATOM 0 H LYS A 13 -8.115 7.187 1.785 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.809 9.336 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.781 9.274 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.772 9.827 1.770 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.475 11.537 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.033 11.368 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.437 11.670 1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.394 12.614 2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.748 13.016 -0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.449 14.015 0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.511 15.029 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.234 14.656 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.555 13.689 0.122 1.00 0.00 H new ATOM 139 N PHE A 14 -8.891 8.568 4.742 1.00 0.00 N ATOM 140 CA PHE A 14 -9.123 8.740 6.195 1.00 0.00 C ATOM 141 C PHE A 14 -8.138 9.690 6.921 1.00 0.00 C ATOM 142 O PHE A 14 -8.103 9.754 8.145 1.00 0.00 O ATOM 143 CB PHE A 14 -9.119 7.334 6.809 1.00 0.00 C ATOM 144 CG PHE A 14 -9.762 7.280 8.196 1.00 0.00 C ATOM 145 CD1 PHE A 14 -11.103 7.610 8.349 1.00 0.00 C ATOM 146 CD2 PHE A 14 -9.028 6.841 9.291 1.00 0.00 C ATOM 147 CE1 PHE A 14 -11.711 7.491 9.592 1.00 0.00 C ATOM 148 CE2 PHE A 14 -9.642 6.700 10.529 1.00 0.00 C ATOM 149 CZ PHE A 14 -10.982 7.029 10.682 1.00 0.00 C ATOM 0 H PHE A 14 -8.513 7.651 4.505 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.080 9.245 6.330 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.649 6.652 6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.091 6.978 6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.673 7.959 7.501 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.979 6.609 9.179 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.751 7.758 9.712 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.076 6.334 11.373 1.00 0.00 H new ATOM 0 HZ PHE A 14 -11.457 6.926 11.646 1.00 0.00 H new ATOM 156 N LYS A 15 -7.450 10.517 6.133 1.00 0.00 N ATOM 157 CA LYS A 15 -6.475 11.544 6.577 1.00 0.00 C ATOM 158 C LYS A 15 -5.526 11.126 7.725 1.00 0.00 C ATOM 159 O LYS A 15 -5.195 11.907 8.614 1.00 0.00 O ATOM 160 CB LYS A 15 -7.240 12.841 6.891 1.00 0.00 C ATOM 161 CG LYS A 15 -7.965 13.462 5.685 1.00 0.00 C ATOM 162 CD LYS A 15 -7.056 14.271 4.751 1.00 0.00 C ATOM 163 CE LYS A 15 -6.770 13.599 3.402 1.00 0.00 C ATOM 164 NZ LYS A 15 -5.801 12.500 3.508 1.00 0.00 N ATOM 0 H LYS A 15 -7.554 10.497 5.118 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.783 11.696 5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.972 12.636 7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.540 13.573 7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.439 12.666 5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.762 14.111 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.516 15.242 4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.109 14.457 5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.702 13.216 2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.392 14.345 2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.316 12.375 2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.101 12.724 4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.298 11.622 3.759 1.00 0.00 H new ATOM 169 N CYS A 16 -4.979 9.918 7.584 1.00 0.00 N ATOM 170 CA CYS A 16 -4.103 9.283 8.592 1.00 0.00 C ATOM 171 C CYS A 16 -2.832 10.088 8.914 1.00 0.00 C ATOM 172 O CYS A 16 -2.114 10.529 8.019 1.00 0.00 O ATOM 173 CB CYS A 16 -3.776 7.852 8.147 1.00 0.00 C ATOM 174 SG CYS A 16 -5.238 6.757 8.300 1.00 0.00 S ATOM 0 H CYS A 16 -5.129 9.338 6.758 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.654 9.259 9.532 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.432 7.860 7.113 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.959 7.458 8.752 1.00 0.00 H new ATOM 176 N ASN A 17 -2.639 10.308 10.216 1.00 0.00 N ATOM 177 CA ASN A 17 -1.516 11.086 10.796 1.00 0.00 C ATOM 178 C ASN A 17 -0.117 10.604 10.390 1.00 0.00 C ATOM 179 O ASN A 17 0.317 9.542 10.833 1.00 0.00 O ATOM 180 CB ASN A 17 -1.605 11.079 12.325 1.00 0.00 C ATOM 181 CG ASN A 17 -2.749 11.949 12.838 1.00 0.00 C ATOM 182 OD1 ASN A 17 -3.899 11.544 12.899 1.00 0.00 O ATOM 183 ND2 ASN A 17 -2.435 13.171 13.206 1.00 0.00 N ATOM 0 H ASN A 17 -3.273 9.943 10.927 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.632 12.090 10.388 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.743 10.056 12.675 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.664 11.435 12.744 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.159 13.802 13.551 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.468 13.489 13.147 1.00 0.00 H new ATOM 187 N SER A 18 0.663 11.604 9.969 1.00 0.00 N ATOM 188 CA SER A 18 1.977 11.473 9.284 1.00 0.00 C ATOM 189 C SER A 18 1.749 11.008 7.833 1.00 0.00 C ATOM 190 O SER A 18 0.614 10.747 7.446 1.00 0.00 O ATOM 191 CB SER A 18 2.974 10.523 9.969 1.00 0.00 C ATOM 192 OG SER A 18 2.963 10.684 11.388 1.00 0.00 O ATOM 0 H SER A 18 0.393 12.579 10.097 1.00 0.00 H new ATOM 0 HA SER A 18 2.433 12.462 9.327 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.727 9.492 9.717 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.978 10.712 9.588 1.00 0.00 H new ATOM 0 HG SER A 18 2.168 10.249 11.760 1.00 0.00 H new ATOM 195 N GLU A 19 2.817 10.921 7.037 1.00 0.00 N ATOM 196 CA GLU A 19 2.761 10.664 5.574 1.00 0.00 C ATOM 197 C GLU A 19 2.074 11.835 4.832 1.00 0.00 C ATOM 198 O GLU A 19 1.664 12.805 5.465 1.00 0.00 O ATOM 199 CB GLU A 19 2.131 9.283 5.259 1.00 0.00 C ATOM 200 CG GLU A 19 0.655 9.273 4.809 1.00 0.00 C ATOM 201 CD GLU A 19 -0.110 7.965 5.043 1.00 0.00 C ATOM 202 OE1 GLU A 19 0.502 6.882 4.917 1.00 0.00 O ATOM 203 OE2 GLU A 19 -1.334 8.072 5.275 1.00 0.00 O ATOM 0 H GLU A 19 3.769 11.028 7.386 1.00 0.00 H new ATOM 0 HA GLU A 19 3.782 10.615 5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.726 8.809 4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.218 8.660 6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.132 10.075 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.619 9.507 3.745 1.00 0.00 H new ATOM 205 N ALA A 20 2.293 11.841 3.517 1.00 0.00 N ATOM 206 CA ALA A 20 1.633 12.666 2.469 1.00 0.00 C ATOM 207 C ALA A 20 2.563 12.788 1.251 1.00 0.00 C ATOM 208 O ALA A 20 2.637 11.828 0.493 1.00 0.00 O ATOM 209 CB ALA A 20 1.074 14.042 2.883 1.00 0.00 C ATOM 0 H ALA A 20 2.993 11.222 3.109 1.00 0.00 H new ATOM 0 HA ALA A 20 0.725 12.113 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.623 14.527 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.319 13.910 3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.883 14.663 3.266 1.00 0.00 H new ATOM 211 N LYS A 21 3.475 13.761 1.288 1.00 0.00 N ATOM 212 CA LYS A 21 4.428 14.086 0.199 1.00 0.00 C ATOM 213 C LYS A 21 5.183 12.871 -0.387 1.00 0.00 C ATOM 214 O LYS A 21 4.709 12.285 -1.355 1.00 0.00 O ATOM 215 CB LYS A 21 5.370 15.231 0.618 1.00 0.00 C ATOM 216 CG LYS A 21 6.011 15.034 1.999 1.00 0.00 C ATOM 217 CD LYS A 21 7.435 15.587 2.040 1.00 0.00 C ATOM 218 CE LYS A 21 8.126 15.266 3.369 1.00 0.00 C ATOM 219 NZ LYS A 21 7.514 15.983 4.498 1.00 0.00 N ATOM 0 H LYS A 21 3.583 14.371 2.099 1.00 0.00 H new ATOM 0 HA LYS A 21 3.820 14.435 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.159 15.331 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.811 16.167 0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.405 15.531 2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.025 13.973 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.013 15.166 1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.411 16.667 1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.077 14.193 3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.181 15.530 3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.034 15.763 5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.553 17.007 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.522 15.687 4.601 1.00 0.00 H new ATOM 224 N TYR A 22 6.252 12.437 0.285 1.00 0.00 N ATOM 225 CA TYR A 22 7.049 11.239 -0.064 1.00 0.00 C ATOM 226 C TYR A 22 6.197 9.986 -0.351 1.00 0.00 C ATOM 227 O TYR A 22 6.274 9.445 -1.452 1.00 0.00 O ATOM 228 CB TYR A 22 8.083 10.976 1.043 1.00 0.00 C ATOM 229 CG TYR A 22 7.520 10.513 2.399 1.00 0.00 C ATOM 230 CD1 TYR A 22 6.728 11.340 3.190 1.00 0.00 C ATOM 231 CD2 TYR A 22 7.821 9.231 2.843 1.00 0.00 C ATOM 232 CE1 TYR A 22 6.244 10.895 4.412 1.00 0.00 C ATOM 233 CE2 TYR A 22 7.322 8.776 4.055 1.00 0.00 C ATOM 234 CZ TYR A 22 6.544 9.610 4.849 1.00 0.00 C ATOM 235 OH TYR A 22 6.026 9.159 6.018 1.00 0.00 O ATOM 0 H TYR A 22 6.604 12.918 1.113 1.00 0.00 H new ATOM 0 HA TYR A 22 7.559 11.452 -1.003 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.783 10.221 0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.655 11.890 1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.488 12.337 2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.446 8.586 2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.635 11.546 5.022 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.539 7.770 4.383 1.00 0.00 H new ATOM 0 HH TYR A 22 6.126 8.185 6.066 1.00 0.00 H new ATOM 242 N TYR A 23 5.196 9.783 0.509 1.00 0.00 N ATOM 243 CA TYR A 23 4.211 8.688 0.409 1.00 0.00 C ATOM 244 C TYR A 23 3.532 8.690 -0.976 1.00 0.00 C ATOM 245 O TYR A 23 3.900 7.881 -1.823 1.00 0.00 O ATOM 246 CB TYR A 23 3.192 8.799 1.551 1.00 0.00 C ATOM 247 CG TYR A 23 2.871 7.437 2.178 1.00 0.00 C ATOM 248 CD1 TYR A 23 3.634 6.984 3.248 1.00 0.00 C ATOM 249 CD2 TYR A 23 1.832 6.653 1.692 1.00 0.00 C ATOM 250 CE1 TYR A 23 3.368 5.748 3.821 1.00 0.00 C ATOM 251 CE2 TYR A 23 1.574 5.409 2.254 1.00 0.00 C ATOM 252 CZ TYR A 23 2.363 4.942 3.302 1.00 0.00 C ATOM 253 OH TYR A 23 2.428 3.615 3.558 1.00 0.00 O ATOM 0 H TYR A 23 5.039 10.387 1.316 1.00 0.00 H new ATOM 0 HA TYR A 23 4.724 7.731 0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.581 9.467 2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.274 9.248 1.173 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.436 7.595 3.635 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.223 7.012 0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.943 5.413 4.671 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.762 4.804 1.878 1.00 0.00 H new ATOM 0 HH TYR A 23 3.320 3.390 3.895 1.00 0.00 H new ATOM 260 N LEU A 24 2.786 9.748 -1.288 1.00 0.00 N ATOM 261 CA LEU A 24 2.122 9.885 -2.600 1.00 0.00 C ATOM 262 C LEU A 24 3.118 9.956 -3.777 1.00 0.00 C ATOM 263 O LEU A 24 2.976 9.188 -4.720 1.00 0.00 O ATOM 264 CB LEU A 24 1.089 11.025 -2.599 1.00 0.00 C ATOM 265 CG LEU A 24 1.617 12.467 -2.552 1.00 0.00 C ATOM 266 CD1 LEU A 24 1.798 13.035 -3.964 1.00 0.00 C ATOM 267 CD2 LEU A 24 0.656 13.349 -1.756 1.00 0.00 C ATOM 0 H LEU A 24 2.621 10.530 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 24 1.561 8.965 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.475 10.922 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.431 10.881 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 24 2.590 12.457 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.173 14.057 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.511 12.421 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.840 13.032 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.038 14.370 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.324 13.341 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.568 12.966 -0.739 1.00 0.00 H new ATOM 269 N ASN A 25 4.234 10.657 -3.582 1.00 0.00 N ATOM 270 CA ASN A 25 5.297 10.802 -4.600 1.00 0.00 C ATOM 271 C ASN A 25 5.905 9.491 -5.126 1.00 0.00 C ATOM 272 O ASN A 25 6.373 9.463 -6.261 1.00 0.00 O ATOM 273 CB ASN A 25 6.411 11.728 -4.097 1.00 0.00 C ATOM 274 CG ASN A 25 6.171 13.221 -4.373 1.00 0.00 C ATOM 275 OD1 ASN A 25 7.019 14.064 -4.127 1.00 0.00 O ATOM 276 ND2 ASN A 25 5.018 13.595 -4.889 1.00 0.00 N ATOM 0 H ASN A 25 4.436 11.147 -2.711 1.00 0.00 H new ATOM 0 HA ASN A 25 4.785 11.242 -5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.529 11.584 -3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.351 11.432 -4.563 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.840 14.581 -5.079 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.303 12.898 -5.098 1.00 0.00 H new ATOM 280 N ILE A 26 5.950 8.462 -4.282 1.00 0.00 N ATOM 281 CA ILE A 26 6.455 7.148 -4.735 1.00 0.00 C ATOM 282 C ILE A 26 5.344 6.064 -4.811 1.00 0.00 C ATOM 283 O ILE A 26 5.420 5.209 -5.689 1.00 0.00 O ATOM 284 CB ILE A 26 7.710 6.721 -3.930 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.688 7.862 -3.566 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.471 5.575 -4.608 1.00 0.00 C ATOM 287 CD1 ILE A 26 9.346 8.636 -4.719 1.00 0.00 C ATOM 0 H ILE A 26 5.654 8.498 -3.306 1.00 0.00 H new ATOM 0 HA ILE A 26 6.784 7.260 -5.768 1.00 0.00 H new ATOM 0 HB ILE A 26 7.294 6.374 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.150 8.579 -2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.482 7.439 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.342 5.311 -4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.817 4.708 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.796 5.891 -5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.005 9.404 -4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.926 7.948 -5.334 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.574 9.106 -5.329 1.00 0.00 H new ATOM 289 N ILE A 27 4.284 6.122 -3.994 1.00 0.00 N ATOM 290 CA ILE A 27 3.180 5.124 -4.064 1.00 0.00 C ATOM 291 C ILE A 27 2.029 5.458 -5.044 1.00 0.00 C ATOM 292 O ILE A 27 1.439 4.553 -5.637 1.00 0.00 O ATOM 293 CB ILE A 27 2.635 4.715 -2.672 1.00 0.00 C ATOM 294 CG1 ILE A 27 1.904 3.364 -2.798 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.756 5.797 -2.018 1.00 0.00 C ATOM 296 CD1 ILE A 27 1.351 2.747 -1.509 1.00 0.00 C ATOM 0 H ILE A 27 4.157 6.838 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 27 3.674 4.256 -4.500 1.00 0.00 H new ATOM 0 HB ILE A 27 3.482 4.605 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.075 3.491 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.592 2.648 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.408 5.445 -1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.339 6.709 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.898 6.004 -2.657 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.862 1.800 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.168 2.572 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.629 3.429 -1.060 1.00 0.00 H new ATOM 298 N GLU A 28 1.700 6.742 -5.184 1.00 0.00 N ATOM 299 CA GLU A 28 0.503 7.186 -5.926 1.00 0.00 C ATOM 300 C GLU A 28 0.793 7.250 -7.438 1.00 0.00 C ATOM 301 O GLU A 28 1.230 8.264 -7.979 1.00 0.00 O ATOM 302 CB GLU A 28 0.043 8.528 -5.344 1.00 0.00 C ATOM 303 CG GLU A 28 -1.473 8.636 -5.164 1.00 0.00 C ATOM 304 CD GLU A 28 -2.257 8.875 -6.459 1.00 0.00 C ATOM 305 OE1 GLU A 28 -1.772 9.653 -7.309 1.00 0.00 O ATOM 306 OE2 GLU A 28 -3.395 8.360 -6.518 1.00 0.00 O ATOM 0 H GLU A 28 2.248 7.507 -4.791 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.310 6.469 -5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.526 8.679 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.380 9.332 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.836 7.719 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.686 9.450 -4.471 1.00 0.00 H new ATOM 308 N GLY A 29 0.774 6.038 -7.993 1.00 0.00 N ATOM 309 CA GLY A 29 0.993 5.751 -9.424 1.00 0.00 C ATOM 310 C GLY A 29 1.370 4.272 -9.615 1.00 0.00 C ATOM 311 O GLY A 29 1.286 3.483 -8.673 1.00 0.00 O ATOM 0 H GLY A 29 0.600 5.195 -7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.091 5.981 -9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.786 6.390 -9.814 1.00 0.00 H new ATOM 313 N GLU A 30 1.891 3.970 -10.801 1.00 0.00 N ATOM 314 CA GLU A 30 2.247 2.589 -11.194 1.00 0.00 C ATOM 315 C GLU A 30 3.747 2.301 -11.367 1.00 0.00 C ATOM 316 O GLU A 30 4.431 2.864 -12.220 1.00 0.00 O ATOM 317 CB GLU A 30 1.454 2.059 -12.400 1.00 0.00 C ATOM 318 CG GLU A 30 1.559 2.846 -13.712 1.00 0.00 C ATOM 319 CD GLU A 30 0.569 4.011 -13.768 1.00 0.00 C ATOM 320 OE1 GLU A 30 0.951 5.102 -13.288 1.00 0.00 O ATOM 321 OE2 GLU A 30 -0.538 3.786 -14.298 1.00 0.00 O ATOM 0 H GLU A 30 2.082 4.666 -11.522 1.00 0.00 H new ATOM 0 HA GLU A 30 1.940 2.028 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.778 1.036 -12.593 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.402 2.012 -12.118 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.574 3.228 -13.824 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.376 2.175 -14.552 1.00 0.00 H new ATOM 323 N TRP A 31 4.174 1.338 -10.564 1.00 0.00 N ATOM 324 CA TRP A 31 5.550 0.801 -10.510 1.00 0.00 C ATOM 325 C TRP A 31 5.837 -0.083 -11.735 1.00 0.00 C ATOM 326 O TRP A 31 5.205 -1.123 -11.907 1.00 0.00 O ATOM 327 CB TRP A 31 5.716 0.006 -9.210 1.00 0.00 C ATOM 328 CG TRP A 31 5.607 0.879 -7.951 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.591 1.676 -7.604 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.626 1.119 -7.050 1.00 0.00 C ATOM 331 NE1 TRP A 31 4.937 2.426 -6.565 1.00 0.00 N ATOM 332 CE2 TRP A 31 6.188 2.124 -6.208 1.00 0.00 C ATOM 333 CE3 TRP A 31 7.894 0.565 -6.857 1.00 0.00 C ATOM 334 CZ2 TRP A 31 7.008 2.606 -5.210 1.00 0.00 C ATOM 335 CZ3 TRP A 31 8.713 1.044 -5.849 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.279 2.072 -5.024 1.00 0.00 C ATOM 0 H TRP A 31 3.552 0.880 -9.897 1.00 0.00 H new ATOM 0 HA TRP A 31 6.266 1.623 -10.527 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.957 -0.775 -9.170 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.686 -0.492 -9.217 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.630 1.705 -8.097 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.343 3.121 -6.112 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.235 -0.237 -7.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.662 3.403 -4.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.694 0.616 -5.704 1.00 0.00 H new ATOM 0 HH2 TRP A 31 8.922 2.454 -4.245 1.00 0.00 H new ATOM 344 N HIS A 32 6.914 0.282 -12.436 1.00 0.00 N ATOM 345 CA HIS A 32 7.313 -0.207 -13.783 1.00 0.00 C ATOM 346 C HIS A 32 6.475 0.425 -14.914 1.00 0.00 C ATOM 347 O HIS A 32 5.252 0.511 -14.777 1.00 0.00 O ATOM 348 CB HIS A 32 7.245 -1.737 -13.957 1.00 0.00 C ATOM 349 CG HIS A 32 8.608 -2.426 -13.896 1.00 0.00 C ATOM 350 ND1 HIS A 32 9.037 -3.245 -12.939 1.00 0.00 N ATOM 351 CD2 HIS A 32 9.577 -2.303 -14.797 1.00 0.00 C ATOM 352 CE1 HIS A 32 10.276 -3.609 -13.250 1.00 0.00 C ATOM 353 NE2 HIS A 32 10.622 -3.009 -14.386 1.00 0.00 N ATOM 0 H HIS A 32 7.576 0.965 -12.069 1.00 0.00 H new ATOM 0 HA HIS A 32 8.355 0.103 -13.856 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.603 -2.153 -13.181 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.776 -1.964 -14.914 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.523 -1.726 -15.709 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.899 -4.280 -12.677 1.00 0.00 H new ATOM 0 HE2 HIS A 32 11.525 -3.079 -14.855 1.00 0.00 H new ATOM 356 N PRO A 33 7.095 0.738 -16.067 1.00 0.00 N ATOM 357 CA PRO A 33 6.388 1.169 -17.296 1.00 0.00 C ATOM 358 C PRO A 33 5.615 0.034 -18.003 1.00 0.00 C ATOM 359 O PRO A 33 5.569 -0.063 -19.226 1.00 0.00 O ATOM 360 CB PRO A 33 7.479 1.786 -18.175 1.00 0.00 C ATOM 361 CG PRO A 33 8.729 1.001 -17.781 1.00 0.00 C ATOM 362 CD PRO A 33 8.554 0.831 -16.273 1.00 0.00 C ATOM 0 HA PRO A 33 5.598 1.883 -17.064 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.252 1.676 -19.235 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.596 2.853 -17.983 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.783 0.041 -18.294 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.642 1.544 -18.024 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.061 -0.065 -15.915 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.977 1.676 -15.729 1.00 0.00 H new ATOM 363 N GLN A 34 5.000 -0.816 -17.183 1.00 0.00 N ATOM 364 CA GLN A 34 4.106 -1.926 -17.575 1.00 0.00 C ATOM 365 C GLN A 34 4.480 -2.742 -18.831 1.00 0.00 C ATOM 366 O GLN A 34 3.615 -3.125 -19.620 1.00 0.00 O ATOM 367 CB GLN A 34 2.629 -1.487 -17.542 1.00 0.00 C ATOM 368 CG GLN A 34 2.282 0.004 -17.382 1.00 0.00 C ATOM 369 CD GLN A 34 2.094 0.764 -18.696 1.00 0.00 C ATOM 370 OE1 GLN A 34 1.443 0.313 -19.627 1.00 0.00 O ATOM 371 NE2 GLN A 34 2.532 2.004 -18.721 1.00 0.00 N ATOM 0 H GLN A 34 5.112 -0.753 -16.171 1.00 0.00 H new ATOM 0 HA GLN A 34 4.270 -2.673 -16.799 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.166 -1.832 -18.466 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.148 -2.023 -16.724 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.367 0.089 -16.796 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.074 0.487 -16.809 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.074 2.369 -17.938 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.329 2.600 -19.523 1.00 0.00 H new ATOM 375 N ASP A 35 5.679 -3.322 -18.731 1.00 0.00 N ATOM 376 CA ASP A 35 6.342 -4.124 -19.795 1.00 0.00 C ATOM 377 C ASP A 35 5.741 -5.527 -20.051 1.00 0.00 C ATOM 378 O ASP A 35 6.344 -6.368 -20.713 1.00 0.00 O ATOM 379 CB ASP A 35 7.851 -4.239 -19.506 1.00 0.00 C ATOM 380 CG ASP A 35 8.240 -5.115 -18.302 1.00 0.00 C ATOM 381 OD1 ASP A 35 7.495 -5.067 -17.293 1.00 0.00 O ATOM 382 OD2 ASP A 35 9.276 -5.799 -18.407 1.00 0.00 O ATOM 0 H ASP A 35 6.244 -3.252 -17.885 1.00 0.00 H new ATOM 0 HA ASP A 35 6.160 -3.571 -20.717 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.342 -4.637 -20.394 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.248 -3.237 -19.345 1.00 0.00 H new ATOM 384 N LEU A 36 4.528 -5.730 -19.551 1.00 0.00 N ATOM 385 CA LEU A 36 3.767 -6.985 -19.667 1.00 0.00 C ATOM 386 C LEU A 36 2.272 -6.624 -19.744 1.00 0.00 C ATOM 387 O LEU A 36 1.582 -6.536 -18.731 1.00 0.00 O ATOM 388 CB LEU A 36 4.122 -7.864 -18.457 1.00 0.00 C ATOM 389 CG LEU A 36 3.748 -9.339 -18.640 1.00 0.00 C ATOM 390 CD1 LEU A 36 4.875 -10.213 -18.089 1.00 0.00 C ATOM 391 CD2 LEU A 36 2.447 -9.671 -17.907 1.00 0.00 C ATOM 0 H LEU A 36 4.024 -5.008 -19.036 1.00 0.00 H new ATOM 0 HA LEU A 36 4.012 -7.552 -20.565 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.193 -7.790 -18.266 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.614 -7.476 -17.575 1.00 0.00 H new ATOM 0 HG LEU A 36 3.603 -9.532 -19.703 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.616 -11.264 -18.216 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.798 -9.999 -18.628 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.016 -10.000 -17.029 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.205 -10.724 -18.054 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.568 -9.471 -16.842 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.639 -9.055 -18.302 1.00 0.00 H new ATOM 393 N ASN A 37 1.926 -6.092 -20.918 1.00 0.00 N ATOM 394 CA ASN A 37 0.541 -5.765 -21.344 1.00 0.00 C ATOM 395 C ASN A 37 -0.281 -4.882 -20.376 1.00 0.00 C ATOM 396 O ASN A 37 -1.506 -4.962 -20.323 1.00 0.00 O ATOM 397 CB ASN A 37 -0.185 -7.073 -21.706 1.00 0.00 C ATOM 398 CG ASN A 37 0.403 -7.718 -22.967 1.00 0.00 C ATOM 399 OD1 ASN A 37 -0.149 -7.664 -24.052 1.00 0.00 O ATOM 400 ND2 ASN A 37 1.533 -8.382 -22.838 1.00 0.00 N ATOM 0 H ASN A 37 2.618 -5.865 -21.632 1.00 0.00 H new ATOM 0 HA ASN A 37 0.632 -5.121 -22.218 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.113 -7.772 -20.873 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.245 -6.870 -21.861 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.945 -8.850 -23.645 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.997 -8.428 -21.931 1.00 0.00 H new ATOM 404 N ASP A 38 0.412 -3.922 -19.759 1.00 0.00 N ATOM 405 CA ASP A 38 -0.102 -3.030 -18.695 1.00 0.00 C ATOM 406 C ASP A 38 -0.733 -3.771 -17.497 1.00 0.00 C ATOM 407 O ASP A 38 -1.951 -3.917 -17.406 1.00 0.00 O ATOM 408 CB ASP A 38 -1.042 -1.951 -19.265 1.00 0.00 C ATOM 409 CG ASP A 38 -1.296 -0.771 -18.311 1.00 0.00 C ATOM 410 OD1 ASP A 38 -0.939 -0.883 -17.115 1.00 0.00 O ATOM 411 OD2 ASP A 38 -1.777 0.264 -18.816 1.00 0.00 O ATOM 0 H ASP A 38 1.387 -3.730 -19.990 1.00 0.00 H new ATOM 0 HA ASP A 38 0.776 -2.530 -18.286 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.618 -1.569 -20.193 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.997 -2.413 -19.517 1.00 0.00 H new ATOM 413 N SER A 39 0.120 -4.101 -16.526 1.00 0.00 N ATOM 414 CA SER A 39 -0.317 -4.783 -15.283 1.00 0.00 C ATOM 415 C SER A 39 0.626 -4.593 -14.061 1.00 0.00 C ATOM 416 O SER A 39 1.128 -5.566 -13.488 1.00 0.00 O ATOM 417 CB SER A 39 -0.544 -6.265 -15.611 1.00 0.00 C ATOM 418 OG SER A 39 -1.284 -6.835 -14.537 1.00 0.00 O ATOM 0 H SER A 39 1.121 -3.911 -16.566 1.00 0.00 H new ATOM 0 HA SER A 39 -1.243 -4.311 -14.956 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.088 -6.370 -16.549 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.409 -6.780 -15.735 1.00 0.00 H new ATOM 0 HG SER A 39 -1.551 -7.748 -14.772 1.00 0.00 H new ATOM 421 N PRO A 40 0.824 -3.352 -13.591 1.00 0.00 N ATOM 422 CA PRO A 40 1.813 -3.040 -12.540 1.00 0.00 C ATOM 423 C PRO A 40 1.178 -2.956 -11.135 1.00 0.00 C ATOM 424 O PRO A 40 0.125 -3.537 -10.876 1.00 0.00 O ATOM 425 CB PRO A 40 2.391 -1.687 -12.983 1.00 0.00 C ATOM 426 CG PRO A 40 1.494 -1.178 -14.113 1.00 0.00 C ATOM 427 CD PRO A 40 0.272 -2.091 -14.115 1.00 0.00 C ATOM 0 HA PRO A 40 2.571 -3.818 -12.443 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.406 -0.981 -12.152 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.420 -1.798 -13.325 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.206 -0.140 -13.947 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.012 -1.216 -15.071 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.527 -1.703 -13.483 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.143 -2.213 -15.115 1.00 0.00 H new ATOM 428 N LEU A 41 1.895 -2.276 -10.241 1.00 0.00 N ATOM 429 CA LEU A 41 1.453 -1.895 -8.888 1.00 0.00 C ATOM 430 C LEU A 41 1.058 -0.410 -8.909 1.00 0.00 C ATOM 431 O LEU A 41 1.922 0.433 -9.133 1.00 0.00 O ATOM 432 CB LEU A 41 2.612 -2.179 -7.911 1.00 0.00 C ATOM 433 CG LEU A 41 2.740 -1.293 -6.656 1.00 0.00 C ATOM 434 CD1 LEU A 41 1.570 -1.431 -5.684 1.00 0.00 C ATOM 435 CD2 LEU A 41 4.050 -1.598 -5.935 1.00 0.00 C ATOM 0 H LEU A 41 2.843 -1.959 -10.443 1.00 0.00 H new ATOM 0 HA LEU A 41 0.585 -2.467 -8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.523 -3.214 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.545 -2.102 -8.470 1.00 0.00 H new ATOM 0 HG LEU A 41 2.729 -0.261 -7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.731 -0.778 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.645 -1.149 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.499 -2.464 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.133 -0.968 -5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.066 -2.646 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.888 -1.398 -6.603 1.00 0.00 H new ATOM 437 N LYS A 42 -0.244 -0.150 -8.896 1.00 0.00 N ATOM 438 CA LYS A 42 -0.727 1.234 -8.750 1.00 0.00 C ATOM 439 C LYS A 42 -1.702 1.441 -7.586 1.00 0.00 C ATOM 440 O LYS A 42 -2.548 0.600 -7.281 1.00 0.00 O ATOM 441 CB LYS A 42 -1.238 1.839 -10.065 1.00 0.00 C ATOM 442 CG LYS A 42 -2.691 1.593 -10.487 1.00 0.00 C ATOM 443 CD LYS A 42 -3.420 2.930 -10.688 1.00 0.00 C ATOM 444 CE LYS A 42 -2.862 3.748 -11.859 1.00 0.00 C ATOM 445 NZ LYS A 42 -3.318 5.144 -11.815 1.00 0.00 N ATOM 0 H LYS A 42 -0.976 -0.855 -8.982 1.00 0.00 H new ATOM 0 HA LYS A 42 0.162 1.803 -8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.091 2.918 -10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.597 1.471 -10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.716 1.015 -11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.203 1.002 -9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.479 2.738 -10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.346 3.518 -9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.773 3.720 -11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.172 3.294 -12.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.920 5.665 -12.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.357 5.172 -11.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.001 5.585 -10.928 1.00 0.00 H new ATOM 450 N PHE A 43 -1.435 2.538 -6.896 1.00 0.00 N ATOM 451 CA PHE A 43 -2.273 3.026 -5.788 1.00 0.00 C ATOM 452 C PHE A 43 -2.820 4.433 -6.066 1.00 0.00 C ATOM 453 O PHE A 43 -2.090 5.358 -6.422 1.00 0.00 O ATOM 454 CB PHE A 43 -1.458 2.941 -4.491 1.00 0.00 C ATOM 455 CG PHE A 43 -2.020 3.764 -3.327 1.00 0.00 C ATOM 456 CD1 PHE A 43 -2.910 3.224 -2.407 1.00 0.00 C ATOM 457 CD2 PHE A 43 -1.542 5.055 -3.158 1.00 0.00 C ATOM 458 CE1 PHE A 43 -3.289 3.968 -1.298 1.00 0.00 C ATOM 459 CE2 PHE A 43 -1.928 5.803 -2.057 1.00 0.00 C ATOM 460 CZ PHE A 43 -2.792 5.254 -1.121 1.00 0.00 C ATOM 0 H PHE A 43 -0.624 3.128 -7.083 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.157 2.397 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.397 1.897 -4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.440 3.273 -4.695 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.305 2.230 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.867 5.479 -3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.970 3.548 -0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.558 6.809 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.079 5.827 -0.252 1.00 0.00 H new ATOM 467 N ILE A 44 -4.116 4.533 -5.805 1.00 0.00 N ATOM 468 CA ILE A 44 -4.894 5.786 -5.891 1.00 0.00 C ATOM 469 C ILE A 44 -5.404 6.265 -4.517 1.00 0.00 C ATOM 470 O ILE A 44 -5.252 5.596 -3.492 1.00 0.00 O ATOM 471 CB ILE A 44 -6.043 5.698 -6.914 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.957 4.484 -6.672 1.00 0.00 C ATOM 473 CG2 ILE A 44 -5.470 5.763 -8.338 1.00 0.00 C ATOM 474 CD1 ILE A 44 -8.337 4.613 -7.322 1.00 0.00 C ATOM 0 H ILE A 44 -4.680 3.732 -5.520 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.196 6.541 -6.253 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.698 6.559 -6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.467 3.589 -7.056 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.083 4.343 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.284 5.701 -9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.936 6.704 -8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.783 4.931 -8.492 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.925 3.720 -7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.848 5.488 -6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.222 4.722 -8.400 1.00 0.00 H new ATOM 476 N LEU A 45 -6.096 7.396 -4.550 1.00 0.00 N ATOM 477 CA LEU A 45 -6.552 8.089 -3.332 1.00 0.00 C ATOM 478 C LEU A 45 -8.043 8.447 -3.396 1.00 0.00 C ATOM 479 O LEU A 45 -8.523 8.956 -4.405 1.00 0.00 O ATOM 480 CB LEU A 45 -5.656 9.306 -3.034 1.00 0.00 C ATOM 481 CG LEU A 45 -5.842 10.602 -3.845 1.00 0.00 C ATOM 482 CD1 LEU A 45 -4.890 11.658 -3.283 1.00 0.00 C ATOM 483 CD2 LEU A 45 -5.586 10.444 -5.347 1.00 0.00 C ATOM 0 H LEU A 45 -6.361 7.866 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.452 7.401 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.787 9.558 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.621 8.988 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.888 10.894 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.005 12.586 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.123 11.836 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.862 11.305 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.738 11.402 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.561 10.110 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.276 9.708 -5.758 1.00 0.00 H new ATOM 485 N SER A 46 -8.752 8.059 -2.336 1.00 0.00 N ATOM 486 CA SER A 46 -10.201 8.307 -2.151 1.00 0.00 C ATOM 487 C SER A 46 -11.020 7.572 -3.237 1.00 0.00 C ATOM 488 O SER A 46 -10.646 6.470 -3.637 1.00 0.00 O ATOM 489 CB SER A 46 -10.485 9.823 -2.103 1.00 0.00 C ATOM 490 OG SER A 46 -11.806 10.069 -1.603 1.00 0.00 O ATOM 0 H SER A 46 -8.334 7.550 -1.557 1.00 0.00 H new ATOM 0 HA SER A 46 -10.519 7.898 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.751 10.317 -1.467 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.381 10.251 -3.100 1.00 0.00 H new ATOM 0 HG SER A 46 -11.971 11.035 -1.577 1.00 0.00 H new ATOM 493 N THR A 47 -12.221 8.085 -3.495 1.00 0.00 N ATOM 494 CA THR A 47 -13.194 7.657 -4.529 1.00 0.00 C ATOM 495 C THR A 47 -14.487 8.486 -4.421 1.00 0.00 C ATOM 496 O THR A 47 -14.740 9.360 -5.246 1.00 0.00 O ATOM 497 CB THR A 47 -13.478 6.134 -4.578 1.00 0.00 C ATOM 498 OG1 THR A 47 -14.500 5.874 -5.544 1.00 0.00 O ATOM 499 CG2 THR A 47 -13.825 5.477 -3.234 1.00 0.00 C ATOM 0 H THR A 47 -12.578 8.871 -2.952 1.00 0.00 H new ATOM 0 HA THR A 47 -12.716 7.860 -5.487 1.00 0.00 H new ATOM 0 HB THR A 47 -12.535 5.670 -4.866 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.680 4.911 -5.578 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.004 4.413 -3.385 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.996 5.610 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.721 5.941 -2.823 1.00 0.00 H new ATOM 502 N SER A 48 -15.098 8.390 -3.242 1.00 0.00 N ATOM 503 CA SER A 48 -16.395 9.000 -2.874 1.00 0.00 C ATOM 504 C SER A 48 -16.708 8.640 -1.412 1.00 0.00 C ATOM 505 O SER A 48 -16.566 9.471 -0.519 1.00 0.00 O ATOM 506 CB SER A 48 -17.520 8.517 -3.805 1.00 0.00 C ATOM 507 OG SER A 48 -18.765 9.122 -3.453 1.00 0.00 O ATOM 0 H SER A 48 -14.690 7.860 -2.472 1.00 0.00 H new ATOM 0 HA SER A 48 -16.329 10.083 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.272 8.759 -4.838 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.608 7.432 -3.744 1.00 0.00 H new ATOM 0 HG SER A 48 -19.467 8.803 -4.058 1.00 0.00 H new ATOM 510 N ASP A 49 -16.872 7.338 -1.174 1.00 0.00 N ATOM 511 CA ASP A 49 -17.114 6.749 0.158 1.00 0.00 C ATOM 512 C ASP A 49 -16.923 5.225 0.078 1.00 0.00 C ATOM 513 O ASP A 49 -16.970 4.659 -1.012 1.00 0.00 O ATOM 514 CB ASP A 49 -18.542 7.075 0.610 1.00 0.00 C ATOM 515 CG ASP A 49 -18.549 7.477 2.087 1.00 0.00 C ATOM 516 OD1 ASP A 49 -18.457 6.543 2.913 1.00 0.00 O ATOM 517 OD2 ASP A 49 -18.596 8.695 2.353 1.00 0.00 O ATOM 0 H ASP A 49 -16.841 6.640 -1.917 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.410 7.164 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.948 7.884 0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -19.186 6.209 0.458 1.00 0.00 H new ATOM 519 N ASP A 50 -16.582 4.623 1.219 1.00 0.00 N ATOM 520 CA ASP A 50 -16.335 3.170 1.385 1.00 0.00 C ATOM 521 C ASP A 50 -15.310 2.633 0.360 1.00 0.00 C ATOM 522 O ASP A 50 -15.645 1.958 -0.610 1.00 0.00 O ATOM 523 CB ASP A 50 -17.677 2.417 1.331 1.00 0.00 C ATOM 524 CG ASP A 50 -17.611 1.021 1.961 1.00 0.00 C ATOM 525 OD1 ASP A 50 -17.211 0.963 3.146 1.00 0.00 O ATOM 526 OD2 ASP A 50 -18.051 0.066 1.289 1.00 0.00 O ATOM 0 H ASP A 50 -16.463 5.142 2.089 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.883 2.997 2.362 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.437 3.005 1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.993 2.325 0.292 1.00 0.00 H new ATOM 528 N SER A 51 -14.041 2.838 0.699 1.00 0.00 N ATOM 529 CA SER A 51 -12.904 2.502 -0.188 1.00 0.00 C ATOM 530 C SER A 51 -12.281 1.173 0.268 1.00 0.00 C ATOM 531 O SER A 51 -12.283 0.854 1.455 1.00 0.00 O ATOM 532 CB SER A 51 -11.871 3.633 -0.149 1.00 0.00 C ATOM 533 OG SER A 51 -10.823 3.461 -1.112 1.00 0.00 O ATOM 0 H SER A 51 -13.759 3.241 1.593 1.00 0.00 H new ATOM 0 HA SER A 51 -13.251 2.390 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.373 4.584 -0.330 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.436 3.687 0.849 1.00 0.00 H new ATOM 0 HG SER A 51 -10.166 4.181 -1.013 1.00 0.00 H new ATOM 536 N ASP A 52 -11.649 0.491 -0.681 1.00 0.00 N ATOM 537 CA ASP A 52 -11.133 -0.888 -0.516 1.00 0.00 C ATOM 538 C ASP A 52 -10.232 -1.087 0.726 1.00 0.00 C ATOM 539 O ASP A 52 -10.428 -2.037 1.483 1.00 0.00 O ATOM 540 CB ASP A 52 -10.396 -1.267 -1.804 1.00 0.00 C ATOM 541 CG ASP A 52 -10.597 -2.735 -2.192 1.00 0.00 C ATOM 542 OD1 ASP A 52 -9.735 -3.542 -1.778 1.00 0.00 O ATOM 543 OD2 ASP A 52 -11.527 -2.988 -2.983 1.00 0.00 O ATOM 0 H ASP A 52 -11.471 0.877 -1.608 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.983 -1.547 -0.338 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.744 -0.630 -2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.331 -1.071 -1.679 1.00 0.00 H new ATOM 545 N TYR A 53 -9.351 -0.119 0.974 1.00 0.00 N ATOM 546 CA TYR A 53 -8.435 -0.119 2.135 1.00 0.00 C ATOM 547 C TYR A 53 -8.681 1.058 3.092 1.00 0.00 C ATOM 548 O TYR A 53 -8.508 2.220 2.718 1.00 0.00 O ATOM 549 CB TYR A 53 -6.982 -0.062 1.648 1.00 0.00 C ATOM 550 CG TYR A 53 -6.246 -1.401 1.742 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.296 -2.146 2.912 1.00 0.00 C ATOM 552 CD2 TYR A 53 -5.568 -1.895 0.637 1.00 0.00 C ATOM 553 CE1 TYR A 53 -5.717 -3.405 2.960 1.00 0.00 C ATOM 554 CE2 TYR A 53 -4.992 -3.157 0.682 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.104 -3.928 1.831 1.00 0.00 C ATOM 556 OH TYR A 53 -4.912 -5.267 1.756 1.00 0.00 O ATOM 0 H TYR A 53 -9.245 0.699 0.374 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.628 -1.040 2.685 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.969 0.277 0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.441 0.681 2.234 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.787 -1.744 3.786 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.488 -1.297 -0.259 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.743 -3.978 3.875 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.458 -3.539 -0.175 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.473 -5.488 0.908 1.00 0.00 H new ATOM 563 N ILE A 54 -8.884 0.723 4.363 1.00 0.00 N ATOM 564 CA ILE A 54 -9.065 1.730 5.434 1.00 0.00 C ATOM 565 C ILE A 54 -7.824 1.831 6.338 1.00 0.00 C ATOM 566 O ILE A 54 -7.454 0.893 7.045 1.00 0.00 O ATOM 567 CB ILE A 54 -10.389 1.568 6.215 1.00 0.00 C ATOM 568 CG1 ILE A 54 -10.544 2.701 7.248 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.535 0.174 6.845 1.00 0.00 C ATOM 570 CD1 ILE A 54 -11.943 2.845 7.858 1.00 0.00 C ATOM 0 H ILE A 54 -8.929 -0.242 4.690 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.162 2.696 4.938 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.209 1.651 5.502 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.829 2.535 8.054 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.274 3.644 6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.482 0.115 7.381 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.514 -0.583 6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.713 0.001 7.540 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.946 3.669 8.571 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.666 3.047 7.067 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.214 1.921 8.370 1.00 0.00 H new ATOM 572 N CYS A 55 -7.125 2.945 6.133 1.00 0.00 N ATOM 573 CA CYS A 55 -5.941 3.318 6.931 1.00 0.00 C ATOM 574 C CYS A 55 -6.373 3.683 8.356 1.00 0.00 C ATOM 575 O CYS A 55 -7.294 4.479 8.515 1.00 0.00 O ATOM 576 CB CYS A 55 -5.155 4.456 6.260 1.00 0.00 C ATOM 577 SG CYS A 55 -5.770 6.177 6.415 1.00 0.00 S ATOM 0 H CYS A 55 -7.358 3.623 5.407 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.267 2.464 6.987 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.140 4.433 6.657 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.087 4.226 5.197 1.00 0.00 H new ATOM 579 N LYS A 56 -5.873 2.925 9.324 1.00 0.00 N ATOM 580 CA LYS A 56 -6.103 3.276 10.739 1.00 0.00 C ATOM 581 C LYS A 56 -5.130 4.374 11.206 1.00 0.00 C ATOM 582 O LYS A 56 -5.567 5.380 11.757 1.00 0.00 O ATOM 583 CB LYS A 56 -6.058 2.027 11.627 1.00 0.00 C ATOM 584 CG LYS A 56 -6.762 2.296 12.964 1.00 0.00 C ATOM 585 CD LYS A 56 -7.103 1.052 13.797 1.00 0.00 C ATOM 586 CE LYS A 56 -5.917 0.362 14.483 1.00 0.00 C ATOM 587 NZ LYS A 56 -5.097 -0.440 13.562 1.00 0.00 N ATOM 0 H LYS A 56 -5.318 2.083 9.173 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.106 3.692 10.833 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.539 1.193 11.117 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.023 1.737 11.806 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.128 2.949 13.563 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.684 2.842 12.765 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.825 1.337 14.562 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.595 0.327 13.148 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.288 1.118 14.953 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.291 -0.282 15.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.646 -1.217 14.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.701 -0.832 12.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.363 0.162 13.137 1.00 0.00 H new ATOM 592 N TYR A 57 -3.850 4.209 10.860 1.00 0.00 N ATOM 593 CA TYR A 57 -2.765 5.176 11.149 1.00 0.00 C ATOM 594 C TYR A 57 -1.430 4.773 10.493 1.00 0.00 C ATOM 595 O TYR A 57 -1.278 3.663 9.984 1.00 0.00 O ATOM 596 CB TYR A 57 -2.575 5.400 12.662 1.00 0.00 C ATOM 597 CG TYR A 57 -2.093 4.163 13.425 1.00 0.00 C ATOM 598 CD1 TYR A 57 -2.995 3.187 13.829 1.00 0.00 C ATOM 599 CD2 TYR A 57 -0.737 4.004 13.677 1.00 0.00 C ATOM 600 CE1 TYR A 57 -2.543 2.045 14.474 1.00 0.00 C ATOM 601 CE2 TYR A 57 -0.284 2.866 14.326 1.00 0.00 C ATOM 602 CZ TYR A 57 -1.185 1.887 14.724 1.00 0.00 C ATOM 603 OH TYR A 57 -0.727 0.773 15.346 1.00 0.00 O ATOM 0 H TYR A 57 -3.523 3.383 10.359 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.081 6.120 10.706 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.858 6.207 12.811 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.521 5.731 13.090 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.050 3.317 13.641 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.036 4.766 13.368 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.243 1.282 14.781 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.771 2.741 14.522 1.00 0.00 H new ATOM 0 HH TYR A 57 0.247 0.827 15.439 1.00 0.00 H new ATOM 610 N ILE A 58 -0.532 5.749 10.414 1.00 0.00 N ATOM 611 CA ILE A 58 0.823 5.597 9.835 1.00 0.00 C ATOM 612 C ILE A 58 1.900 5.937 10.883 1.00 0.00 C ATOM 613 O ILE A 58 1.790 6.904 11.633 1.00 0.00 O ATOM 614 CB ILE A 58 0.930 6.345 8.476 1.00 0.00 C ATOM 615 CG1 ILE A 58 2.305 6.363 7.774 1.00 0.00 C ATOM 616 CG2 ILE A 58 0.224 7.705 8.439 1.00 0.00 C ATOM 617 CD1 ILE A 58 3.428 7.251 8.328 1.00 0.00 C ATOM 0 H ILE A 58 -0.717 6.693 10.754 1.00 0.00 H new ATOM 0 HA ILE A 58 1.013 4.555 9.580 1.00 0.00 H new ATOM 0 HB ILE A 58 0.350 5.674 7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.677 5.338 7.759 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.138 6.657 6.738 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.351 8.154 7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.838 7.569 8.642 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.657 8.360 9.195 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.319 7.137 7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.108 8.293 8.315 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.655 6.954 9.352 1.00 0.00 H new ATOM 619 N ASN A 59 2.952 5.129 10.859 1.00 0.00 N ATOM 620 CA ASN A 59 4.104 5.244 11.776 1.00 0.00 C ATOM 621 C ASN A 59 5.336 5.791 11.046 1.00 0.00 C ATOM 622 O ASN A 59 5.882 5.157 10.144 1.00 0.00 O ATOM 623 CB ASN A 59 4.484 3.884 12.373 1.00 0.00 C ATOM 624 CG ASN A 59 3.383 3.277 13.242 1.00 0.00 C ATOM 625 OD1 ASN A 59 2.507 2.575 12.765 1.00 0.00 O ATOM 626 ND2 ASN A 59 3.434 3.531 14.530 1.00 0.00 N ATOM 0 H ASN A 59 3.041 4.360 10.195 1.00 0.00 H new ATOM 0 HA ASN A 59 3.799 5.926 12.570 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.721 3.193 11.564 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.388 3.997 12.971 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.731 3.138 15.156 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.177 4.121 14.904 1.00 0.00 H new ATOM 630 N THR A 60 5.818 6.910 11.572 1.00 0.00 N ATOM 631 CA THR A 60 7.062 7.570 11.117 1.00 0.00 C ATOM 632 C THR A 60 8.358 6.756 11.268 1.00 0.00 C ATOM 633 O THR A 60 9.253 6.925 10.449 1.00 0.00 O ATOM 634 CB THR A 60 7.247 8.952 11.754 1.00 0.00 C ATOM 635 OG1 THR A 60 6.749 8.957 13.098 1.00 0.00 O ATOM 636 CG2 THR A 60 6.610 10.045 10.893 1.00 0.00 C ATOM 0 H THR A 60 5.358 7.401 12.338 1.00 0.00 H new ATOM 0 HA THR A 60 6.901 7.666 10.043 1.00 0.00 H new ATOM 0 HB THR A 60 8.313 9.174 11.803 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.876 9.846 13.491 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.756 11.015 11.369 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.076 10.050 9.908 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.543 9.850 10.788 1.00 0.00 H new ATOM 639 N GLU A 61 8.392 5.791 12.191 1.00 0.00 N ATOM 640 CA GLU A 61 9.582 4.932 12.425 1.00 0.00 C ATOM 641 C GLU A 61 10.188 4.318 11.149 1.00 0.00 C ATOM 642 O GLU A 61 11.327 4.617 10.809 1.00 0.00 O ATOM 643 CB GLU A 61 9.324 3.821 13.447 1.00 0.00 C ATOM 644 CG GLU A 61 9.457 4.325 14.885 1.00 0.00 C ATOM 645 CD GLU A 61 9.842 3.167 15.807 1.00 0.00 C ATOM 646 OE1 GLU A 61 8.908 2.485 16.281 1.00 0.00 O ATOM 647 OE2 GLU A 61 11.063 2.966 15.977 1.00 0.00 O ATOM 0 H GLU A 61 7.604 5.574 12.801 1.00 0.00 H new ATOM 0 HA GLU A 61 10.316 5.628 12.831 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.324 3.414 13.296 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.028 3.005 13.282 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.212 5.109 14.937 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.516 4.766 15.214 1.00 0.00 H new ATOM 649 N HIS A 62 9.407 3.487 10.466 1.00 0.00 N ATOM 650 CA HIS A 62 9.758 3.021 9.109 1.00 0.00 C ATOM 651 C HIS A 62 8.918 3.732 8.025 1.00 0.00 C ATOM 652 O HIS A 62 8.603 3.151 6.998 1.00 0.00 O ATOM 653 CB HIS A 62 9.629 1.494 9.010 1.00 0.00 C ATOM 654 CG HIS A 62 10.899 0.754 9.430 1.00 0.00 C ATOM 655 ND1 HIS A 62 11.133 0.186 10.610 1.00 0.00 N ATOM 656 CD2 HIS A 62 11.952 0.526 8.648 1.00 0.00 C ATOM 657 CE1 HIS A 62 12.332 -0.387 10.559 1.00 0.00 C ATOM 658 NE2 HIS A 62 12.837 -0.180 9.345 1.00 0.00 N ATOM 0 H HIS A 62 8.525 3.117 10.821 1.00 0.00 H new ATOM 0 HA HIS A 62 10.800 3.284 8.925 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.800 1.164 9.637 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.381 1.223 7.984 1.00 0.00 H new ATOM 0 HD2 HIS A 62 12.067 0.857 7.626 1.00 0.00 H new ATOM 0 HE1 HIS A 62 12.812 -0.926 11.362 1.00 0.00 H new ATOM 0 HE2 HIS A 62 13.743 -0.506 9.009 1.00 0.00 H new ATOM 661 N LYS A 63 8.519 4.973 8.320 1.00 0.00 N ATOM 662 CA LYS A 63 7.747 5.877 7.429 1.00 0.00 C ATOM 663 C LYS A 63 6.584 5.185 6.662 1.00 0.00 C ATOM 664 O LYS A 63 6.250 5.533 5.530 1.00 0.00 O ATOM 665 CB LYS A 63 8.744 6.550 6.473 1.00 0.00 C ATOM 666 CG LYS A 63 9.927 7.296 7.106 1.00 0.00 C ATOM 667 CD LYS A 63 9.547 8.684 7.629 1.00 0.00 C ATOM 668 CE LYS A 63 10.772 9.462 8.123 1.00 0.00 C ATOM 669 NZ LYS A 63 11.308 8.951 9.394 1.00 0.00 N ATOM 0 H LYS A 63 8.728 5.403 9.221 1.00 0.00 H new ATOM 0 HA LYS A 63 7.241 6.617 8.049 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.144 5.785 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.193 7.256 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.327 6.701 7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.723 7.397 6.368 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.053 9.248 6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.829 8.582 8.443 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.552 9.419 7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.503 10.511 8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.434 9.740 10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.644 8.260 9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.225 8.491 9.224 1.00 0.00 H new ATOM 674 N GLN A 64 5.858 4.345 7.399 1.00 0.00 N ATOM 675 CA GLN A 64 4.931 3.321 6.858 1.00 0.00 C ATOM 676 C GLN A 64 3.526 3.286 7.481 1.00 0.00 C ATOM 677 O GLN A 64 3.373 3.453 8.693 1.00 0.00 O ATOM 678 CB GLN A 64 5.570 1.929 6.958 1.00 0.00 C ATOM 679 CG GLN A 64 6.098 1.544 8.345 1.00 0.00 C ATOM 680 CD GLN A 64 5.267 0.470 9.042 1.00 0.00 C ATOM 681 OE1 GLN A 64 5.299 -0.703 8.704 1.00 0.00 O ATOM 682 NE2 GLN A 64 4.492 0.871 10.025 1.00 0.00 N ATOM 0 H GLN A 64 5.891 4.349 8.418 1.00 0.00 H new ATOM 0 HA GLN A 64 4.773 3.618 5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.833 1.187 6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.394 1.875 6.247 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.124 1.190 8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.126 2.434 8.973 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.478 1.855 10.294 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.905 0.198 10.519 1.00 0.00 H new ATOM 686 N LEU A 65 2.563 2.896 6.651 1.00 0.00 N ATOM 687 CA LEU A 65 1.123 2.874 6.996 1.00 0.00 C ATOM 688 C LEU A 65 0.583 1.459 7.263 1.00 0.00 C ATOM 689 O LEU A 65 0.904 0.501 6.557 1.00 0.00 O ATOM 690 CB LEU A 65 0.386 3.538 5.825 1.00 0.00 C ATOM 691 CG LEU A 65 -1.144 3.607 5.833 1.00 0.00 C ATOM 692 CD1 LEU A 65 -1.676 4.487 6.962 1.00 0.00 C ATOM 693 CD2 LEU A 65 -1.600 4.174 4.491 1.00 0.00 C ATOM 0 H LEU A 65 2.752 2.579 5.700 1.00 0.00 H new ATOM 0 HA LEU A 65 0.963 3.411 7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.758 4.559 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.684 3.017 4.915 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.536 2.603 5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.765 4.505 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.351 4.084 7.921 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.292 5.501 6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.688 4.233 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.180 5.171 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.258 3.524 3.686 1.00 0.00 H new ATOM 695 N THR A 66 -0.306 1.413 8.252 1.00 0.00 N ATOM 696 CA THR A 66 -1.053 0.194 8.646 1.00 0.00 C ATOM 697 C THR A 66 -2.563 0.351 8.396 1.00 0.00 C ATOM 698 O THR A 66 -3.222 1.256 8.920 1.00 0.00 O ATOM 699 CB THR A 66 -0.730 -0.271 10.082 1.00 0.00 C ATOM 700 OG1 THR A 66 -1.537 -1.406 10.413 1.00 0.00 O ATOM 701 CG2 THR A 66 -0.849 0.807 11.166 1.00 0.00 C ATOM 0 H THR A 66 -0.540 2.228 8.819 1.00 0.00 H new ATOM 0 HA THR A 66 -0.706 -0.610 7.997 1.00 0.00 H new ATOM 0 HB THR A 66 0.328 -0.534 10.072 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.329 -1.701 11.324 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.601 0.376 12.136 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.161 1.623 10.945 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.870 1.189 11.189 1.00 0.00 H new ATOM 704 N LEU A 67 -3.011 -0.415 7.407 1.00 0.00 N ATOM 705 CA LEU A 67 -4.418 -0.428 6.950 1.00 0.00 C ATOM 706 C LEU A 67 -5.030 -1.813 6.699 1.00 0.00 C ATOM 707 O LEU A 67 -4.412 -2.676 6.084 1.00 0.00 O ATOM 708 CB LEU A 67 -4.668 0.468 5.725 1.00 0.00 C ATOM 709 CG LEU A 67 -3.591 0.703 4.659 1.00 0.00 C ATOM 710 CD1 LEU A 67 -3.162 -0.572 3.944 1.00 0.00 C ATOM 711 CD2 LEU A 67 -4.159 1.672 3.623 1.00 0.00 C ATOM 0 H LEU A 67 -2.410 -1.055 6.887 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.936 -0.015 7.815 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.538 0.061 5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.954 1.449 6.105 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.709 1.099 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.398 -0.334 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.757 -1.277 4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.024 -1.018 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.412 1.858 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.050 1.238 3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.420 2.612 4.109 1.00 0.00 H new ATOM 713 N TYR A 68 -6.322 -1.904 6.989 1.00 0.00 N ATOM 714 CA TYR A 68 -7.097 -3.144 6.773 1.00 0.00 C ATOM 715 C TYR A 68 -8.164 -3.009 5.681 1.00 0.00 C ATOM 716 O TYR A 68 -8.704 -1.934 5.430 1.00 0.00 O ATOM 717 CB TYR A 68 -7.680 -3.736 8.061 1.00 0.00 C ATOM 718 CG TYR A 68 -8.315 -2.715 9.004 1.00 0.00 C ATOM 719 CD1 TYR A 68 -7.500 -1.944 9.817 1.00 0.00 C ATOM 720 CD2 TYR A 68 -9.692 -2.564 9.047 1.00 0.00 C ATOM 721 CE1 TYR A 68 -8.062 -0.992 10.651 1.00 0.00 C ATOM 722 CE2 TYR A 68 -10.260 -1.614 9.883 1.00 0.00 C ATOM 723 CZ TYR A 68 -9.439 -0.815 10.673 1.00 0.00 C ATOM 724 OH TYR A 68 -9.960 0.202 11.399 1.00 0.00 O ATOM 0 H TYR A 68 -6.868 -1.135 7.377 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.363 -3.863 6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.431 -4.480 7.795 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.887 -4.260 8.595 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.429 -2.085 9.800 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.323 -3.186 8.429 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.429 -0.387 11.284 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.333 -1.495 9.921 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.936 0.197 11.315 1.00 0.00 H new ATOM 731 N ASN A 69 -8.173 -4.048 4.862 1.00 0.00 N ATOM 732 CA ASN A 69 -9.085 -4.168 3.713 1.00 0.00 C ATOM 733 C ASN A 69 -10.509 -4.491 4.179 1.00 0.00 C ATOM 734 O ASN A 69 -10.743 -5.496 4.858 1.00 0.00 O ATOM 735 CB ASN A 69 -8.575 -5.253 2.766 1.00 0.00 C ATOM 736 CG ASN A 69 -9.101 -4.986 1.358 1.00 0.00 C ATOM 737 OD1 ASN A 69 -10.270 -5.190 1.063 1.00 0.00 O ATOM 738 ND2 ASN A 69 -8.269 -4.391 0.536 1.00 0.00 N ATOM 0 H ASN A 69 -7.545 -4.845 4.969 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.113 -3.215 3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.485 -5.265 2.763 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.904 -6.234 3.109 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.591 -4.083 -0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.300 -4.237 0.814 1.00 0.00 H new ATOM 742 N LYS A 70 -11.421 -3.661 3.695 1.00 0.00 N ATOM 743 CA LYS A 70 -12.858 -3.784 4.018 1.00 0.00 C ATOM 744 C LYS A 70 -13.717 -4.394 2.892 1.00 0.00 C ATOM 745 O LYS A 70 -14.935 -4.473 3.015 1.00 0.00 O ATOM 746 CB LYS A 70 -13.391 -2.420 4.470 1.00 0.00 C ATOM 747 CG LYS A 70 -13.938 -2.485 5.902 1.00 0.00 C ATOM 748 CD LYS A 70 -12.839 -2.731 6.944 1.00 0.00 C ATOM 749 CE LYS A 70 -13.108 -3.952 7.832 1.00 0.00 C ATOM 750 NZ LYS A 70 -13.050 -5.209 7.069 1.00 0.00 N ATOM 0 H LYS A 70 -11.201 -2.885 3.071 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.942 -4.504 4.832 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.594 -1.679 4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.178 -2.091 3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.450 -1.551 6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.680 -3.281 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.886 -2.865 6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.741 -1.847 7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.375 -3.983 8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.089 -3.854 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.999 -6.013 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.903 -5.297 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.207 -5.207 6.460 1.00 0.00 H new ATOM 755 N ASN A 71 -13.032 -4.984 1.916 1.00 0.00 N ATOM 756 CA ASN A 71 -13.664 -5.778 0.843 1.00 0.00 C ATOM 757 C ASN A 71 -13.447 -7.296 0.961 1.00 0.00 C ATOM 758 O ASN A 71 -14.265 -8.063 0.459 1.00 0.00 O ATOM 759 CB ASN A 71 -13.169 -5.302 -0.524 1.00 0.00 C ATOM 760 CG ASN A 71 -14.255 -4.477 -1.213 1.00 0.00 C ATOM 761 OD1 ASN A 71 -14.228 -3.256 -1.257 1.00 0.00 O ATOM 762 ND2 ASN A 71 -15.222 -5.170 -1.773 1.00 0.00 N ATOM 0 H ASN A 71 -12.016 -4.930 1.839 1.00 0.00 H new ATOM 0 HA ASN A 71 -14.736 -5.612 0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.266 -4.703 -0.405 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.904 -6.159 -1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.977 -4.689 -2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -15.217 -6.189 -1.719 1.00 0.00 H new ATOM 766 N ASN A 72 -12.268 -7.687 1.443 1.00 0.00 N ATOM 767 CA ASN A 72 -11.940 -9.113 1.667 1.00 0.00 C ATOM 768 C ASN A 72 -12.530 -9.675 2.979 1.00 0.00 C ATOM 769 O ASN A 72 -13.642 -10.193 2.963 1.00 0.00 O ATOM 770 CB ASN A 72 -10.429 -9.348 1.554 1.00 0.00 C ATOM 771 CG ASN A 72 -9.805 -9.035 0.191 1.00 0.00 C ATOM 772 OD1 ASN A 72 -10.036 -8.013 -0.435 1.00 0.00 O ATOM 773 ND2 ASN A 72 -8.856 -9.851 -0.203 1.00 0.00 N ATOM 0 H ASN A 72 -11.517 -7.043 1.689 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.426 -9.680 0.873 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.929 -8.742 2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.224 -10.391 1.795 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.308 -9.632 -1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.666 -10.704 0.323 1.00 0.00 H new ATOM 777 N SER A 73 -11.764 -9.622 4.076 1.00 0.00 N ATOM 778 CA SER A 73 -12.183 -10.076 5.427 1.00 0.00 C ATOM 779 C SER A 73 -11.118 -9.751 6.491 1.00 0.00 C ATOM 780 O SER A 73 -10.253 -10.554 6.837 1.00 0.00 O ATOM 781 CB SER A 73 -12.489 -11.584 5.439 1.00 0.00 C ATOM 782 OG SER A 73 -13.153 -11.941 6.653 1.00 0.00 O ATOM 0 H SER A 73 -10.812 -9.255 4.059 1.00 0.00 H new ATOM 0 HA SER A 73 -13.094 -9.531 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.114 -11.843 4.584 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.564 -12.152 5.341 1.00 0.00 H new ATOM 0 HG SER A 73 -13.345 -12.902 6.651 1.00 0.00 H new ATOM 785 N SER A 74 -11.157 -8.501 6.951 1.00 0.00 N ATOM 786 CA SER A 74 -10.269 -7.950 8.011 1.00 0.00 C ATOM 787 C SER A 74 -8.747 -8.043 7.730 1.00 0.00 C ATOM 788 O SER A 74 -7.930 -8.201 8.637 1.00 0.00 O ATOM 789 CB SER A 74 -10.634 -8.558 9.378 1.00 0.00 C ATOM 790 OG SER A 74 -10.205 -9.921 9.521 1.00 0.00 O ATOM 0 H SER A 74 -11.821 -7.813 6.596 1.00 0.00 H new ATOM 0 HA SER A 74 -10.462 -6.877 8.018 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.184 -7.957 10.168 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.714 -8.507 9.515 1.00 0.00 H new ATOM 0 HG SER A 74 -10.157 -10.343 8.638 1.00 0.00 H new ATOM 793 N ILE A 75 -8.374 -7.702 6.497 1.00 0.00 N ATOM 794 CA ILE A 75 -6.994 -7.906 5.993 1.00 0.00 C ATOM 795 C ILE A 75 -6.146 -6.649 6.267 1.00 0.00 C ATOM 796 O ILE A 75 -6.102 -5.726 5.454 1.00 0.00 O ATOM 797 CB ILE A 75 -6.988 -8.230 4.482 1.00 0.00 C ATOM 798 CG1 ILE A 75 -8.029 -9.277 4.048 1.00 0.00 C ATOM 799 CG2 ILE A 75 -5.581 -8.599 3.980 1.00 0.00 C ATOM 800 CD1 ILE A 75 -7.908 -10.704 4.598 1.00 0.00 C ATOM 0 H ILE A 75 -9.005 -7.280 5.816 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.563 -8.757 6.520 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.294 -7.302 3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.014 -8.899 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.003 -9.338 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.621 -8.819 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.902 -7.764 4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.221 -9.476 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.715 -11.318 4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.948 -11.128 4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.974 -10.682 5.686 1.00 0.00 H new ATOM 802 N VAL A 76 -5.478 -6.643 7.410 1.00 0.00 N ATOM 803 CA VAL A 76 -4.600 -5.531 7.826 1.00 0.00 C ATOM 804 C VAL A 76 -3.169 -5.706 7.295 1.00 0.00 C ATOM 805 O VAL A 76 -2.407 -6.562 7.736 1.00 0.00 O ATOM 806 CB VAL A 76 -4.728 -5.207 9.333 1.00 0.00 C ATOM 807 CG1 VAL A 76 -4.503 -6.399 10.267 1.00 0.00 C ATOM 808 CG2 VAL A 76 -3.860 -4.010 9.744 1.00 0.00 C ATOM 0 H VAL A 76 -5.521 -7.406 8.086 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.953 -4.619 7.345 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.775 -4.933 9.460 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.613 -6.076 11.302 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.237 -7.175 10.049 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.499 -6.796 10.115 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.983 -3.820 10.810 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.814 -4.230 9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.166 -3.128 9.181 1.00 0.00 H new ATOM 810 N ILE A 77 -2.880 -4.913 6.274 1.00 0.00 N ATOM 811 CA ILE A 77 -1.556 -4.904 5.627 1.00 0.00 C ATOM 812 C ILE A 77 -0.787 -3.639 6.043 1.00 0.00 C ATOM 813 O ILE A 77 -1.355 -2.563 6.246 1.00 0.00 O ATOM 814 CB ILE A 77 -1.595 -5.056 4.089 1.00 0.00 C ATOM 815 CG1 ILE A 77 -2.150 -3.834 3.355 1.00 0.00 C ATOM 816 CG2 ILE A 77 -2.345 -6.337 3.697 1.00 0.00 C ATOM 817 CD1 ILE A 77 -1.573 -3.669 1.945 1.00 0.00 C ATOM 0 H ILE A 77 -3.546 -4.257 5.865 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.032 -5.792 5.980 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.558 -5.135 3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.235 -3.918 3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.934 -2.938 3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.364 -6.430 2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.838 -7.201 4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.366 -6.291 4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.005 -2.785 1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.491 -3.555 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.812 -4.550 1.349 1.00 0.00 H new ATOM 819 N GLU A 78 0.510 -3.839 6.192 1.00 0.00 N ATOM 820 CA GLU A 78 1.436 -2.775 6.609 1.00 0.00 C ATOM 821 C GLU A 78 2.538 -2.640 5.550 1.00 0.00 C ATOM 822 O GLU A 78 3.168 -3.631 5.184 1.00 0.00 O ATOM 823 CB GLU A 78 1.999 -3.145 7.980 1.00 0.00 C ATOM 824 CG GLU A 78 2.488 -1.896 8.712 1.00 0.00 C ATOM 825 CD GLU A 78 3.074 -2.186 10.098 1.00 0.00 C ATOM 826 OE1 GLU A 78 3.735 -3.232 10.274 1.00 0.00 O ATOM 827 OE2 GLU A 78 2.838 -1.327 10.980 1.00 0.00 O ATOM 0 H GLU A 78 0.961 -4.739 6.030 1.00 0.00 H new ATOM 0 HA GLU A 78 0.934 -1.811 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.232 -3.644 8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.821 -3.851 7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.245 -1.401 8.103 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.657 -1.198 8.817 1.00 0.00 H new ATOM 829 N ILE A 79 2.538 -1.488 4.895 1.00 0.00 N ATOM 830 CA ILE A 79 3.492 -1.237 3.794 1.00 0.00 C ATOM 831 C ILE A 79 4.353 0.011 4.025 1.00 0.00 C ATOM 832 O ILE A 79 3.862 1.037 4.493 1.00 0.00 O ATOM 833 CB ILE A 79 2.823 -1.201 2.402 1.00 0.00 C ATOM 834 CG1 ILE A 79 1.812 -0.067 2.194 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.189 -2.544 2.044 1.00 0.00 C ATOM 836 CD1 ILE A 79 2.476 1.109 1.477 1.00 0.00 C ATOM 0 H ILE A 79 1.903 -0.715 5.093 1.00 0.00 H new ATOM 0 HA ILE A 79 4.160 -2.099 3.801 1.00 0.00 H new ATOM 0 HB ILE A 79 3.647 -0.992 1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.966 -0.428 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.418 0.260 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.729 -2.478 1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.957 -3.318 2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.428 -2.796 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.747 1.907 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.307 1.479 2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.847 0.781 0.506 1.00 0.00 H new ATOM 838 N PHE A 80 5.599 -0.106 3.585 1.00 0.00 N ATOM 839 CA PHE A 80 6.518 1.046 3.518 1.00 0.00 C ATOM 840 C PHE A 80 6.870 1.364 2.065 1.00 0.00 C ATOM 841 O PHE A 80 7.266 0.502 1.284 1.00 0.00 O ATOM 842 CB PHE A 80 7.798 0.867 4.348 1.00 0.00 C ATOM 843 CG PHE A 80 8.771 2.064 4.350 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.356 3.372 4.095 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.107 1.836 4.667 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.271 4.413 4.097 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.013 2.889 4.718 1.00 0.00 C ATOM 848 CZ PHE A 80 10.601 4.180 4.422 1.00 0.00 C ATOM 0 H PHE A 80 6.007 -0.985 3.266 1.00 0.00 H new ATOM 0 HA PHE A 80 5.982 1.885 3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.513 0.653 5.378 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.330 -0.009 3.976 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.314 3.574 3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.443 0.831 4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.948 5.412 3.844 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.041 2.701 4.989 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.308 4.996 4.444 1.00 0.00 H new ATOM 855 N ILE A 81 6.592 2.626 1.788 1.00 0.00 N ATOM 856 CA ILE A 81 6.955 3.351 0.559 1.00 0.00 C ATOM 857 C ILE A 81 8.055 4.375 0.914 1.00 0.00 C ATOM 858 O ILE A 81 7.773 5.340 1.630 1.00 0.00 O ATOM 859 CB ILE A 81 5.695 3.916 -0.146 1.00 0.00 C ATOM 860 CG1 ILE A 81 5.993 4.879 -1.308 1.00 0.00 C ATOM 861 CG2 ILE A 81 4.599 4.432 0.796 1.00 0.00 C ATOM 862 CD1 ILE A 81 6.414 6.303 -0.925 1.00 0.00 C ATOM 0 H ILE A 81 6.079 3.215 2.444 1.00 0.00 H new ATOM 0 HA ILE A 81 7.383 2.690 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 81 5.262 3.030 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 81 6.783 4.442 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.104 4.943 -1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.761 4.806 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.258 3.619 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.998 5.238 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.596 6.884 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.620 6.773 -0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.326 6.265 -0.329 1.00 0.00 H new ATOM 864 N PRO A 82 9.314 4.026 0.621 1.00 0.00 N ATOM 865 CA PRO A 82 10.452 4.950 0.780 1.00 0.00 C ATOM 866 C PRO A 82 10.657 5.793 -0.495 1.00 0.00 C ATOM 867 O PRO A 82 9.987 6.803 -0.681 1.00 0.00 O ATOM 868 CB PRO A 82 11.663 4.057 1.101 1.00 0.00 C ATOM 869 CG PRO A 82 11.096 2.652 1.307 1.00 0.00 C ATOM 870 CD PRO A 82 9.805 2.644 0.497 1.00 0.00 C ATOM 0 HA PRO A 82 10.289 5.675 1.577 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.387 4.072 0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.181 4.405 1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.790 1.888 0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.905 2.451 2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.985 2.374 -0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.087 1.926 0.893 1.00 0.00 H new ATOM 871 N ASN A 83 11.416 5.220 -1.430 1.00 0.00 N ATOM 872 CA ASN A 83 12.013 5.814 -2.650 1.00 0.00 C ATOM 873 C ASN A 83 13.025 4.784 -3.197 1.00 0.00 C ATOM 874 O ASN A 83 12.832 3.594 -2.947 1.00 0.00 O ATOM 875 CB ASN A 83 12.664 7.185 -2.359 1.00 0.00 C ATOM 876 CG ASN A 83 13.678 7.255 -1.204 1.00 0.00 C ATOM 877 OD1 ASN A 83 13.825 8.277 -0.553 1.00 0.00 O ATOM 878 ND2 ASN A 83 14.403 6.197 -0.897 1.00 0.00 N ATOM 0 H ASN A 83 11.658 4.232 -1.354 1.00 0.00 H new ATOM 0 HA ASN A 83 11.246 6.019 -3.397 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.164 7.520 -3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.867 7.899 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.071 6.242 -0.128 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.295 5.333 -1.429 1.00 0.00 H new ATOM 882 N ASP A 84 14.103 5.219 -3.864 1.00 0.00 N ATOM 883 CA ASP A 84 15.253 4.373 -4.277 1.00 0.00 C ATOM 884 C ASP A 84 14.900 2.968 -4.805 1.00 0.00 C ATOM 885 O ASP A 84 15.522 1.972 -4.443 1.00 0.00 O ATOM 886 CB ASP A 84 16.271 4.283 -3.125 1.00 0.00 C ATOM 887 CG ASP A 84 17.198 5.497 -2.989 1.00 0.00 C ATOM 888 OD1 ASP A 84 16.785 6.597 -3.420 1.00 0.00 O ATOM 889 OD2 ASP A 84 18.302 5.294 -2.443 1.00 0.00 O ATOM 0 H ASP A 84 14.211 6.194 -4.143 1.00 0.00 H new ATOM 0 HA ASP A 84 15.685 4.879 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.728 4.151 -2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 84 16.882 3.391 -3.267 1.00 0.00 H new ATOM 891 N ASN A 85 13.840 2.924 -5.613 1.00 0.00 N ATOM 892 CA ASN A 85 13.220 1.681 -6.114 1.00 0.00 C ATOM 893 C ASN A 85 13.036 0.571 -5.058 1.00 0.00 C ATOM 894 O ASN A 85 13.664 -0.479 -5.133 1.00 0.00 O ATOM 895 CB ASN A 85 13.911 1.187 -7.398 1.00 0.00 C ATOM 896 CG ASN A 85 15.439 1.071 -7.370 1.00 0.00 C ATOM 897 OD1 ASN A 85 16.032 0.113 -6.904 1.00 0.00 O ATOM 898 ND2 ASN A 85 16.105 2.024 -7.985 1.00 0.00 N ATOM 0 H ASN A 85 13.373 3.766 -5.949 1.00 0.00 H new ATOM 0 HA ASN A 85 12.196 1.952 -6.373 1.00 0.00 H new ATOM 0 HB2 ASN A 85 13.502 0.208 -7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.638 1.861 -8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 85 17.119 1.962 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 85 15.607 2.825 -8.374 1.00 0.00 H new ATOM 902 N LYS A 86 12.174 0.835 -4.073 1.00 0.00 N ATOM 903 CA LYS A 86 11.768 -0.161 -3.049 1.00 0.00 C ATOM 904 C LYS A 86 10.451 0.166 -2.314 1.00 0.00 C ATOM 905 O LYS A 86 10.088 1.336 -2.221 1.00 0.00 O ATOM 906 CB LYS A 86 12.896 -0.390 -2.021 1.00 0.00 C ATOM 907 CG LYS A 86 13.345 0.863 -1.258 1.00 0.00 C ATOM 908 CD LYS A 86 14.442 0.538 -0.241 1.00 0.00 C ATOM 909 CE LYS A 86 14.726 1.741 0.661 1.00 0.00 C ATOM 910 NZ LYS A 86 15.699 1.410 1.712 1.00 0.00 N ATOM 0 H LYS A 86 11.730 1.746 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 86 11.580 -1.075 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.563 -1.136 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.758 -0.810 -2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 86 13.711 1.608 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.490 1.303 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.138 -0.314 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.353 0.247 -0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.106 2.566 0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.797 2.081 1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.868 2.248 2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.325 0.639 2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.593 1.109 1.275 1.00 0.00 H new ATOM 915 N ILE A 87 9.659 -0.891 -2.121 1.00 0.00 N ATOM 916 CA ILE A 87 8.503 -1.007 -1.190 1.00 0.00 C ATOM 917 C ILE A 87 8.530 -2.395 -0.507 1.00 0.00 C ATOM 918 O ILE A 87 8.853 -3.395 -1.147 1.00 0.00 O ATOM 919 CB ILE A 87 7.141 -0.725 -1.893 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.945 0.794 -2.036 1.00 0.00 C ATOM 921 CG2 ILE A 87 5.905 -1.376 -1.229 1.00 0.00 C ATOM 922 CD1 ILE A 87 5.620 1.263 -2.662 1.00 0.00 C ATOM 0 H ILE A 87 9.808 -1.756 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 87 8.600 -0.237 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 87 7.206 -1.204 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.032 1.243 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.764 1.188 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.010 -1.118 -1.795 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.027 -2.459 -1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.806 -1.010 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.604 2.352 -2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.530 0.857 -3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.786 0.913 -2.054 1.00 0.00 H new ATOM 924 N LEU A 88 8.033 -2.427 0.729 1.00 0.00 N ATOM 925 CA LEU A 88 7.766 -3.672 1.486 1.00 0.00 C ATOM 926 C LEU A 88 6.292 -3.818 1.922 1.00 0.00 C ATOM 927 O LEU A 88 5.637 -2.822 2.226 1.00 0.00 O ATOM 928 CB LEU A 88 8.727 -3.784 2.677 1.00 0.00 C ATOM 929 CG LEU A 88 8.661 -2.616 3.672 1.00 0.00 C ATOM 930 CD1 LEU A 88 7.750 -2.936 4.862 1.00 0.00 C ATOM 931 CD2 LEU A 88 10.069 -2.234 4.127 1.00 0.00 C ATOM 0 H LEU A 88 7.798 -1.582 1.249 1.00 0.00 H new ATOM 0 HA LEU A 88 7.949 -4.505 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.514 -4.710 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.746 -3.862 2.297 1.00 0.00 H new ATOM 0 HG LEU A 88 8.220 -1.758 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.729 -2.086 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.741 -3.138 4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.131 -3.812 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.011 -1.405 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.540 -3.090 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.662 -1.934 3.263 1.00 0.00 H new ATOM 933 N LEU A 89 5.809 -5.060 1.885 1.00 0.00 N ATOM 934 CA LEU A 89 4.441 -5.470 2.289 1.00 0.00 C ATOM 935 C LEU A 89 4.410 -6.512 3.422 1.00 0.00 C ATOM 936 O LEU A 89 5.166 -7.482 3.423 1.00 0.00 O ATOM 937 CB LEU A 89 3.722 -6.066 1.072 1.00 0.00 C ATOM 938 CG LEU A 89 2.277 -6.534 1.289 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.299 -5.726 0.437 1.00 0.00 C ATOM 940 CD2 LEU A 89 2.168 -8.015 0.932 1.00 0.00 C ATOM 0 H LEU A 89 6.372 -5.847 1.562 1.00 0.00 H new ATOM 0 HA LEU A 89 3.949 -4.573 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.723 -5.320 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.305 -6.915 0.714 1.00 0.00 H new ATOM 0 HG LEU A 89 2.018 -6.381 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.284 -6.081 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.366 -4.672 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.548 -5.848 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.143 -8.352 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.445 -8.159 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.838 -8.593 1.568 1.00 0.00 H new ATOM 942 N THR A 90 3.432 -6.294 4.296 1.00 0.00 N ATOM 943 CA THR A 90 2.968 -7.211 5.369 1.00 0.00 C ATOM 944 C THR A 90 1.460 -7.468 5.166 1.00 0.00 C ATOM 945 O THR A 90 0.777 -6.623 4.597 1.00 0.00 O ATOM 946 CB THR A 90 3.190 -6.533 6.735 1.00 0.00 C ATOM 947 OG1 THR A 90 4.549 -6.105 6.836 1.00 0.00 O ATOM 948 CG2 THR A 90 2.859 -7.428 7.934 1.00 0.00 C ATOM 0 H THR A 90 2.900 -5.423 4.286 1.00 0.00 H new ATOM 0 HA THR A 90 3.518 -8.151 5.335 1.00 0.00 H new ATOM 0 HB THR A 90 2.501 -5.689 6.774 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.692 -5.672 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.041 -6.880 8.858 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.811 -7.725 7.888 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.489 -8.317 7.909 1.00 0.00 H new ATOM 951 N ILE A 91 0.986 -8.636 5.595 1.00 0.00 N ATOM 952 CA ILE A 91 -0.437 -9.063 5.632 1.00 0.00 C ATOM 953 C ILE A 91 -0.695 -9.677 7.025 1.00 0.00 C ATOM 954 O ILE A 91 0.099 -10.472 7.522 1.00 0.00 O ATOM 955 CB ILE A 91 -0.755 -10.115 4.538 1.00 0.00 C ATOM 956 CG1 ILE A 91 -0.437 -9.586 3.129 1.00 0.00 C ATOM 957 CG2 ILE A 91 -2.224 -10.573 4.604 1.00 0.00 C ATOM 958 CD1 ILE A 91 -0.313 -10.684 2.063 1.00 0.00 C ATOM 0 H ILE A 91 1.610 -9.361 5.949 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.077 -8.201 5.444 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.113 -10.973 4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.219 -8.889 2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.495 -9.022 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.411 -11.310 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.423 -11.019 5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.880 -9.715 4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.088 -10.230 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.489 -11.369 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.252 -11.233 1.996 1.00 0.00 H new ATOM 960 N MET A 92 -1.821 -9.296 7.609 1.00 0.00 N ATOM 961 CA MET A 92 -2.332 -9.788 8.908 1.00 0.00 C ATOM 962 C MET A 92 -3.869 -9.794 8.849 1.00 0.00 C ATOM 963 O MET A 92 -4.460 -9.141 7.991 1.00 0.00 O ATOM 964 CB MET A 92 -1.918 -8.833 10.034 1.00 0.00 C ATOM 965 CG MET A 92 -0.413 -8.680 10.265 1.00 0.00 C ATOM 966 SD MET A 92 0.003 -7.227 11.301 1.00 0.00 S ATOM 967 CE MET A 92 -0.719 -7.678 12.866 1.00 0.00 C ATOM 0 H MET A 92 -2.440 -8.606 7.183 1.00 0.00 H new ATOM 0 HA MET A 92 -1.930 -10.783 9.098 1.00 0.00 H new ATOM 0 HB2 MET A 92 -2.334 -7.849 9.820 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.375 -9.177 10.962 1.00 0.00 H new ATOM 0 HG2 MET A 92 -0.030 -9.582 10.742 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.090 -8.590 9.302 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.511 -6.900 13.600 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.797 -7.789 12.751 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.291 -8.621 13.206 1.00 0.00 H new ATOM 969 N ASN A 93 -4.502 -10.508 9.775 1.00 0.00 N ATOM 970 CA ASN A 93 -5.976 -10.510 9.880 1.00 0.00 C ATOM 971 C ASN A 93 -6.446 -10.125 11.288 1.00 0.00 C ATOM 972 O ASN A 93 -6.023 -10.739 12.265 1.00 0.00 O ATOM 973 CB ASN A 93 -6.525 -11.892 9.527 1.00 0.00 C ATOM 974 CG ASN A 93 -6.269 -12.291 8.073 1.00 0.00 C ATOM 975 OD1 ASN A 93 -6.471 -11.543 7.132 1.00 0.00 O ATOM 976 ND2 ASN A 93 -5.666 -13.439 7.880 1.00 0.00 N ATOM 0 H ASN A 93 -4.030 -11.093 10.464 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.354 -9.767 9.178 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.073 -12.634 10.185 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.598 -11.909 9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.366 -13.706 6.942 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.497 -14.065 8.667 1.00 0.00 H new ATOM 980 N THR A 94 -7.436 -9.236 11.334 1.00 0.00 N ATOM 981 CA THR A 94 -8.031 -8.740 12.601 1.00 0.00 C ATOM 982 C THR A 94 -8.608 -9.889 13.454 1.00 0.00 C ATOM 983 O THR A 94 -8.501 -9.854 14.678 1.00 0.00 O ATOM 984 CB THR A 94 -9.113 -7.677 12.335 1.00 0.00 C ATOM 985 OG1 THR A 94 -8.629 -6.722 11.382 1.00 0.00 O ATOM 986 CG2 THR A 94 -9.536 -6.929 13.604 1.00 0.00 C ATOM 0 H THR A 94 -7.858 -8.830 10.499 1.00 0.00 H new ATOM 0 HA THR A 94 -7.223 -8.276 13.166 1.00 0.00 H new ATOM 0 HB THR A 94 -9.985 -8.207 11.952 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.321 -6.048 11.214 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.300 -6.193 13.355 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.938 -7.638 14.328 1.00 0.00 H new ATOM 0 HG23 THR A 94 -8.671 -6.423 14.033 1.00 0.00 H new ATOM 989 N GLU A 95 -9.234 -10.872 12.803 1.00 0.00 N ATOM 990 CA GLU A 95 -9.692 -12.098 13.494 1.00 0.00 C ATOM 991 C GLU A 95 -9.422 -13.432 12.761 1.00 0.00 C ATOM 992 O GLU A 95 -10.323 -14.247 12.561 1.00 0.00 O ATOM 993 CB GLU A 95 -11.139 -11.969 14.017 1.00 0.00 C ATOM 994 CG GLU A 95 -12.248 -11.724 12.981 1.00 0.00 C ATOM 995 CD GLU A 95 -12.357 -10.288 12.453 1.00 0.00 C ATOM 996 OE1 GLU A 95 -12.069 -9.343 13.222 1.00 0.00 O ATOM 997 OE2 GLU A 95 -12.799 -10.156 11.293 1.00 0.00 O ATOM 0 H GLU A 95 -9.438 -10.852 11.804 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.038 -12.169 14.363 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.383 -12.881 14.561 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.165 -11.151 14.737 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.084 -12.391 12.135 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.204 -12.002 13.426 1.00 0.00 H new ATOM 999 N ALA A 96 -8.150 -13.663 12.422 1.00 0.00 N ATOM 1000 CA ALA A 96 -7.684 -14.895 11.735 1.00 0.00 C ATOM 1001 C ALA A 96 -6.144 -15.067 11.792 1.00 0.00 C ATOM 1002 O ALA A 96 -5.500 -14.518 12.683 1.00 0.00 O ATOM 1003 CB ALA A 96 -8.242 -14.945 10.299 1.00 0.00 C ATOM 0 H ALA A 96 -7.399 -13.000 12.614 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.081 -15.754 12.276 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.894 -15.852 9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.332 -14.945 10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.896 -14.074 9.743 1.00 0.00 H new ATOM 1005 N LEU A 97 -5.574 -15.827 10.855 1.00 0.00 N ATOM 1006 CA LEU A 97 -4.139 -16.200 10.815 1.00 0.00 C ATOM 1007 C LEU A 97 -3.289 -15.225 9.963 1.00 0.00 C ATOM 1008 O LEU A 97 -3.727 -14.109 9.702 1.00 0.00 O ATOM 1009 CB LEU A 97 -4.071 -17.634 10.269 1.00 0.00 C ATOM 1010 CG LEU A 97 -4.676 -18.674 11.221 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -5.045 -19.937 10.443 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -3.684 -19.030 12.332 1.00 0.00 C ATOM 0 H LEU A 97 -6.104 -16.217 10.076 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.712 -16.140 11.816 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.595 -17.677 9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.030 -17.892 10.074 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.572 -18.248 11.673 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.474 -20.672 11.124 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.774 -19.689 9.671 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.151 -20.352 9.978 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.132 -19.769 12.997 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.776 -19.442 11.891 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.437 -18.133 12.900 1.00 0.00 H new ATOM 1014 N GLY A 98 -2.062 -15.637 9.605 1.00 0.00 N ATOM 1015 CA GLY A 98 -1.205 -14.885 8.658 1.00 0.00 C ATOM 1016 C GLY A 98 -0.030 -14.171 9.344 1.00 0.00 C ATOM 1017 O GLY A 98 -0.220 -13.127 9.960 1.00 0.00 O ATOM 0 H GLY A 98 -1.634 -16.493 9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.816 -15.571 7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.813 -14.148 8.133 1.00 0.00 H new ATOM 1019 N THR A 99 1.119 -14.846 9.339 1.00 0.00 N ATOM 1020 CA THR A 99 2.366 -14.338 9.972 1.00 0.00 C ATOM 1021 C THR A 99 3.703 -14.612 9.248 1.00 0.00 C ATOM 1022 O THR A 99 4.772 -14.483 9.839 1.00 0.00 O ATOM 1023 CB THR A 99 2.474 -14.798 11.434 1.00 0.00 C ATOM 1024 OG1 THR A 99 1.912 -16.106 11.609 1.00 0.00 O ATOM 1025 CG2 THR A 99 1.874 -13.771 12.398 1.00 0.00 C ATOM 0 H THR A 99 1.226 -15.761 8.900 1.00 0.00 H new ATOM 0 HA THR A 99 2.237 -13.258 9.896 1.00 0.00 H new ATOM 0 HB THR A 99 3.533 -14.870 11.682 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.995 -16.375 12.548 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.970 -14.133 13.422 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.404 -12.824 12.297 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.820 -13.623 12.163 1.00 0.00 H new ATOM 1028 N SER A 100 3.631 -14.918 7.955 1.00 0.00 N ATOM 1029 CA SER A 100 4.812 -15.009 7.062 1.00 0.00 C ATOM 1030 C SER A 100 4.950 -14.014 5.872 1.00 0.00 C ATOM 1031 O SER A 100 5.915 -14.169 5.120 1.00 0.00 O ATOM 1032 CB SER A 100 4.901 -16.437 6.514 1.00 0.00 C ATOM 1033 OG SER A 100 3.743 -16.726 5.721 1.00 0.00 O ATOM 0 H SER A 100 2.749 -15.114 7.481 1.00 0.00 H new ATOM 0 HA SER A 100 5.632 -14.716 7.718 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.803 -16.550 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.976 -17.148 7.337 1.00 0.00 H new ATOM 0 HG SER A 100 3.805 -17.639 5.372 1.00 0.00 H new ATOM 1036 N PRO A 101 4.073 -13.017 5.641 1.00 0.00 N ATOM 1037 CA PRO A 101 4.164 -12.159 4.440 1.00 0.00 C ATOM 1038 C PRO A 101 5.322 -11.154 4.512 1.00 0.00 C ATOM 1039 O PRO A 101 5.473 -10.415 5.484 1.00 0.00 O ATOM 1040 CB PRO A 101 2.821 -11.441 4.375 1.00 0.00 C ATOM 1041 CG PRO A 101 2.500 -11.251 5.853 1.00 0.00 C ATOM 1042 CD PRO A 101 2.959 -12.551 6.489 1.00 0.00 C ATOM 0 HA PRO A 101 4.369 -12.754 3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.890 -10.491 3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.063 -12.036 3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.027 -10.393 6.270 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.435 -11.080 6.013 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.284 -12.394 7.517 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.152 -13.283 6.518 1.00 0.00 H new ATOM 1043 N ARG A 102 6.067 -11.121 3.418 1.00 0.00 N ATOM 1044 CA ARG A 102 7.193 -10.186 3.234 1.00 0.00 C ATOM 1045 C ARG A 102 7.475 -10.072 1.728 1.00 0.00 C ATOM 1046 O ARG A 102 7.987 -10.997 1.098 1.00 0.00 O ATOM 1047 CB ARG A 102 8.397 -10.708 4.026 1.00 0.00 C ATOM 1048 CG ARG A 102 9.509 -9.667 4.187 1.00 0.00 C ATOM 1049 CD ARG A 102 10.773 -10.061 3.416 1.00 0.00 C ATOM 1050 NE ARG A 102 11.388 -11.272 3.994 1.00 0.00 N ATOM 1051 CZ ARG A 102 11.423 -12.486 3.437 1.00 0.00 C ATOM 1052 NH1 ARG A 102 10.813 -12.755 2.290 1.00 0.00 N ATOM 1053 NH2 ARG A 102 12.093 -13.465 4.028 1.00 0.00 N ATOM 0 H ARG A 102 5.916 -11.741 2.622 1.00 0.00 H new ATOM 0 HA ARG A 102 6.965 -9.188 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.063 -11.030 5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.801 -11.587 3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 102 9.155 -8.699 3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.749 -9.552 5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 102 10.525 -10.239 2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 102 11.488 -9.239 3.439 1.00 0.00 H new ATOM 0 HE ARG A 102 11.829 -11.172 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.296 -12.023 1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 102 10.861 -13.694 1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 102 12.581 -13.291 4.907 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.121 -14.392 3.604 1.00 0.00 H new ATOM 1060 N MET A 103 6.855 -9.044 1.159 1.00 0.00 N ATOM 1061 CA MET A 103 6.897 -8.795 -0.298 1.00 0.00 C ATOM 1062 C MET A 103 7.586 -7.459 -0.611 1.00 0.00 C ATOM 1063 O MET A 103 7.282 -6.433 -0.006 1.00 0.00 O ATOM 1064 CB MET A 103 5.460 -8.825 -0.819 1.00 0.00 C ATOM 1065 CG MET A 103 5.364 -9.010 -2.337 1.00 0.00 C ATOM 1066 SD MET A 103 3.665 -9.395 -2.900 1.00 0.00 S ATOM 1067 CE MET A 103 3.440 -11.005 -2.168 1.00 0.00 C ATOM 0 H MET A 103 6.310 -8.358 1.681 1.00 0.00 H new ATOM 0 HA MET A 103 7.484 -9.566 -0.796 1.00 0.00 H new ATOM 0 HB2 MET A 103 4.921 -9.635 -0.327 1.00 0.00 H new ATOM 0 HB3 MET A 103 4.962 -7.896 -0.542 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.708 -8.102 -2.831 1.00 0.00 H new ATOM 0 HG3 MET A 103 6.034 -9.813 -2.643 1.00 0.00 H new ATOM 0 HE1 MET A 103 2.660 -11.543 -2.706 1.00 0.00 H new ATOM 0 HE2 MET A 103 4.373 -11.565 -2.226 1.00 0.00 H new ATOM 0 HE3 MET A 103 3.149 -10.892 -1.124 1.00 0.00 H new ATOM 1069 N THR A 104 8.542 -7.539 -1.527 1.00 0.00 N ATOM 1070 CA THR A 104 9.389 -6.399 -1.938 1.00 0.00 C ATOM 1071 C THR A 104 9.198 -5.995 -3.405 1.00 0.00 C ATOM 1072 O THR A 104 9.712 -6.604 -4.343 1.00 0.00 O ATOM 1073 CB THR A 104 10.868 -6.662 -1.624 1.00 0.00 C ATOM 1074 OG1 THR A 104 11.212 -8.019 -1.938 1.00 0.00 O ATOM 1075 CG2 THR A 104 11.185 -6.320 -0.166 1.00 0.00 C ATOM 0 H THR A 104 8.763 -8.404 -2.019 1.00 0.00 H new ATOM 0 HA THR A 104 9.055 -5.548 -1.344 1.00 0.00 H new ATOM 0 HB THR A 104 11.479 -6.011 -2.249 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.158 -8.172 -1.734 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.239 -6.515 0.033 1.00 0.00 H new ATOM 0 HG22 THR A 104 10.970 -5.267 0.016 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.572 -6.935 0.493 1.00 0.00 H new ATOM 1078 N PHE A 105 8.525 -4.864 -3.550 1.00 0.00 N ATOM 1079 CA PHE A 105 8.115 -4.322 -4.863 1.00 0.00 C ATOM 1080 C PHE A 105 9.011 -3.119 -5.176 1.00 0.00 C ATOM 1081 O PHE A 105 8.860 -2.026 -4.635 1.00 0.00 O ATOM 1082 CB PHE A 105 6.657 -3.851 -4.872 1.00 0.00 C ATOM 1083 CG PHE A 105 5.691 -4.720 -4.068 1.00 0.00 C ATOM 1084 CD1 PHE A 105 5.616 -4.484 -2.703 1.00 0.00 C ATOM 1085 CD2 PHE A 105 4.723 -5.500 -4.690 1.00 0.00 C ATOM 1086 CE1 PHE A 105 4.552 -4.969 -1.968 1.00 0.00 C ATOM 1087 CE2 PHE A 105 3.676 -6.027 -3.942 1.00 0.00 C ATOM 1088 CZ PHE A 105 3.588 -5.759 -2.581 1.00 0.00 C ATOM 0 H PHE A 105 8.240 -4.282 -2.762 1.00 0.00 H new ATOM 0 HA PHE A 105 8.213 -5.115 -5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 105 6.617 -2.834 -4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.311 -3.810 -5.905 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.394 -3.918 -2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.784 -5.696 -5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.470 -4.734 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.930 -6.645 -4.419 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.772 -6.164 -2.001 1.00 0.00 H new ATOM 1095 N ILE A 106 10.110 -3.463 -5.826 1.00 0.00 N ATOM 1096 CA ILE A 106 11.141 -2.487 -6.227 1.00 0.00 C ATOM 1097 C ILE A 106 10.851 -1.936 -7.635 1.00 0.00 C ATOM 1098 O ILE A 106 10.406 -2.670 -8.520 1.00 0.00 O ATOM 1099 CB ILE A 106 12.560 -3.086 -6.078 1.00 0.00 C ATOM 1100 CG1 ILE A 106 12.907 -4.271 -7.004 1.00 0.00 C ATOM 1101 CG2 ILE A 106 12.869 -3.383 -4.600 1.00 0.00 C ATOM 1102 CD1 ILE A 106 12.232 -5.624 -6.731 1.00 0.00 C ATOM 0 H ILE A 106 10.324 -4.423 -6.096 1.00 0.00 H new ATOM 0 HA ILE A 106 11.104 -1.633 -5.551 1.00 0.00 H new ATOM 0 HB ILE A 106 13.229 -2.305 -6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.665 -3.978 -8.026 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.986 -4.422 -6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 106 13.871 -3.804 -4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 106 12.813 -2.459 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 106 12.142 -4.097 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.575 -6.356 -7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 106 12.491 -5.964 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 106 11.150 -5.513 -6.808 1.00 0.00 H new ATOM 1104 N LYS A 107 10.982 -0.617 -7.784 1.00 0.00 N ATOM 1105 CA LYS A 107 10.711 0.094 -9.058 1.00 0.00 C ATOM 1106 C LYS A 107 11.874 -0.136 -10.044 1.00 0.00 C ATOM 1107 O LYS A 107 12.752 0.708 -10.201 1.00 0.00 O ATOM 1108 CB LYS A 107 10.502 1.592 -8.775 1.00 0.00 C ATOM 1109 CG LYS A 107 9.374 2.252 -9.578 1.00 0.00 C ATOM 1110 CD LYS A 107 9.607 2.293 -11.091 1.00 0.00 C ATOM 1111 CE LYS A 107 8.511 3.125 -11.760 1.00 0.00 C ATOM 1112 NZ LYS A 107 8.680 3.164 -13.220 1.00 0.00 N ATOM 0 H LYS A 107 11.279 0.000 -7.029 1.00 0.00 H new ATOM 0 HA LYS A 107 9.802 -0.298 -9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.294 1.720 -7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.433 2.119 -8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.445 1.717 -9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.237 3.271 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.585 2.723 -11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.607 1.281 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.535 2.706 -11.517 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.530 4.140 -11.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.216 4.014 -13.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.694 3.189 -13.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 8.250 2.316 -13.642 1.00 0.00 H new ATOM 1117 N HIS A 108 11.898 -1.385 -10.509 1.00 0.00 N ATOM 1118 CA HIS A 108 12.864 -2.049 -11.423 1.00 0.00 C ATOM 1119 C HIS A 108 13.704 -3.046 -10.611 1.00 0.00 C ATOM 1120 O HIS A 108 14.339 -2.680 -9.627 1.00 0.00 O ATOM 1121 CB HIS A 108 13.812 -1.136 -12.227 1.00 0.00 C ATOM 1122 CG HIS A 108 13.073 -0.128 -13.117 1.00 0.00 C ATOM 1123 ND1 HIS A 108 11.949 -0.356 -13.789 1.00 0.00 N ATOM 1124 CD2 HIS A 108 13.322 1.178 -13.186 1.00 0.00 C ATOM 1125 CE1 HIS A 108 11.498 0.807 -14.242 1.00 0.00 C ATOM 1126 NE2 HIS A 108 12.342 1.762 -13.870 1.00 0.00 N ATOM 0 H HIS A 108 11.166 -2.039 -10.232 1.00 0.00 H new ATOM 0 HA HIS A 108 12.241 -2.523 -12.181 1.00 0.00 H new ATOM 0 HB2 HIS A 108 14.457 -0.595 -11.535 1.00 0.00 H new ATOM 0 HB3 HIS A 108 14.459 -1.754 -12.850 1.00 0.00 H new ATOM 0 HD1 HIS A 108 11.510 -1.266 -13.932 1.00 0.00 H new ATOM 0 HD2 HIS A 108 14.177 1.680 -12.758 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.595 0.952 -14.817 1.00 0.00 H new ATOM 1129 N LYS A 109 13.542 -4.328 -10.933 1.00 0.00 N ATOM 1130 CA LYS A 109 14.273 -5.424 -10.251 1.00 0.00 C ATOM 1131 C LYS A 109 15.809 -5.333 -10.371 1.00 0.00 C ATOM 1132 O LYS A 109 16.482 -5.796 -9.428 1.00 99.99 O ATOM 1133 CG LYS A 109 12.482 -7.323 -10.182 1.00 0.00 C ATOM 1134 CD LYS A 109 11.234 -6.848 -10.940 1.00 0.00 C ATOM 1135 CE LYS A 109 10.558 -5.612 -10.336 1.00 0.00 C ATOM 1136 NZ LYS A 109 9.861 -5.910 -9.079 1.00 0.00 N ATOM 1137 OXT LYS A 109 16.269 -4.880 -11.445 1.00 99.99 O ATOM 0 H LYS A 109 12.909 -4.647 -11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.512 -6.628 -11.971 1.00 0.00 H new ATOM 0 HD3 LYS A 109 10.511 -7.663 -10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.309 -4.842 -10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 109 9.847 -5.204 -11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.687 -5.026 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.953 -6.373 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 10.448 -6.542 -8.498 1.00 0.00 H new