USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 766 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 8 HIS : no HD1:sc= 0.851 K(o=1.6,f=-4.9!) USER MOD Set 1.2: A 92 GLN : amide:sc= 0.755 K(o=1.6,f=-1.7) USER MOD Set 2.1: A 19 TYR OH : rot 150:sc= 0.391 USER MOD Set 2.2: A 23 LYS NZ :NH3+ -145:sc= 0.877 (180deg=0) USER MOD Set 3.1: A 4 THR OG1 : rot -39:sc= 1.6 USER MOD Set 3.2: A 6 SER OG : rot -52:sc= 0.744 USER MOD Single : A 11 SER OG : rot -25:sc= 0.734 USER MOD Single : A 12 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 1.63 (180deg=1.46) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 30 ASN : amide:sc= -0.0319 K(o=-0.032,f=-1.1) USER MOD Single : A 31 THR OG1 : rot 49:sc= 0.451 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0499 X(o=-0.05,f=-0.058) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0648 X(o=-0.065,f=-0.36) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0358 X(o=-0.036,f=-0.15) USER MOD Single : A 46 GLN : amide:sc= 0.877 K(o=0.88,f=-0.19) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 171:sc= -1.8 (180deg=-2.07) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 77:sc= 0.762 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 150:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 70 THR OG1 : rot 81:sc= 0.703 USER MOD Single : A 72 GLN : amide:sc= -0.0609 X(o=-0.061,f=-0.2) USER MOD Single : A 78 ASN : amide:sc= -0.0607 K(o=-0.061,f=-1.1!) USER MOD Single : A 79 GLN : amide:sc= 0.735 K(o=0.74,f=-0.07) USER MOD Single : A 87 HIS : no HE2:sc= 0 X(o=0,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 0.854 -0.320 1.622 1.00 0.00 N ATOM 2 CA THR A 4 2.281 -0.022 1.565 1.00 0.00 C ATOM 3 C THR A 4 2.525 1.467 1.361 1.00 0.00 C ATOM 4 O THR A 4 1.631 2.200 0.936 1.00 0.00 O ATOM 5 CB THR A 4 2.976 -0.806 0.437 1.00 0.00 C ATOM 6 OG1 THR A 4 2.480 -0.361 -0.833 1.00 0.00 O ATOM 7 CG2 THR A 4 2.719 -2.297 0.585 1.00 0.00 C ATOM 0 HA THR A 4 2.705 -0.328 2.522 1.00 0.00 H new ATOM 0 HB THR A 4 4.049 -0.627 0.499 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.516 -0.199 -0.769 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.218 -2.834 -0.221 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.107 -2.640 1.544 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.647 -2.488 0.539 1.00 0.00 H new ATOM 15 N PRO A 5 3.740 1.910 1.666 1.00 0.00 N ATOM 16 CA PRO A 5 4.113 3.307 1.488 1.00 0.00 C ATOM 17 C PRO A 5 3.841 3.774 0.063 1.00 0.00 C ATOM 18 O PRO A 5 3.471 4.926 -0.163 1.00 0.00 O ATOM 19 CB PRO A 5 5.606 3.343 1.830 1.00 0.00 C ATOM 20 CG PRO A 5 5.802 2.194 2.760 1.00 0.00 C ATOM 21 CD PRO A 5 4.868 1.120 2.269 1.00 0.00 C ATOM 0 HA PRO A 5 3.534 3.981 2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.221 3.240 0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.883 4.286 2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.836 1.851 2.748 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.571 2.476 3.787 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.347 0.473 1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.524 0.480 3.082 1.00 0.00 H new ATOM 29 N SER A 6 4.026 2.871 -0.894 1.00 0.00 N ATOM 30 CA SER A 6 3.893 3.213 -2.305 1.00 0.00 C ATOM 31 C SER A 6 2.456 3.585 -2.649 1.00 0.00 C ATOM 32 O SER A 6 2.206 4.309 -3.613 1.00 0.00 O ATOM 33 CB SER A 6 4.361 2.058 -3.169 1.00 0.00 C ATOM 34 OG SER A 6 3.485 0.966 -3.108 1.00 0.00 O ATOM 0 H SER A 6 4.269 1.896 -0.718 1.00 0.00 H new ATOM 0 HA SER A 6 4.521 4.082 -2.504 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.452 2.392 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.354 1.744 -2.847 1.00 0.00 H new ATOM 0 HG SER A 6 3.322 0.729 -2.171 1.00 0.00 H new ATOM 40 N ASP A 7 1.515 3.085 -1.856 1.00 0.00 N ATOM 41 CA ASP A 7 0.101 3.359 -2.077 1.00 0.00 C ATOM 42 C ASP A 7 -0.246 4.795 -1.704 1.00 0.00 C ATOM 43 O ASP A 7 -1.201 5.370 -2.229 1.00 0.00 O ATOM 44 CB ASP A 7 -0.767 2.385 -1.278 1.00 0.00 C ATOM 45 CG ASP A 7 -0.674 0.936 -1.739 1.00 0.00 C ATOM 46 OD1 ASP A 7 -0.797 0.700 -2.917 1.00 0.00 O ATOM 47 OD2 ASP A 7 -0.327 0.101 -0.940 1.00 0.00 O ATOM 0 H ASP A 7 1.707 2.486 -1.053 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.102 3.223 -3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.480 2.439 -0.228 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.806 2.708 -1.341 1.00 0.00 H new ATOM 52 N HIS A 8 0.534 5.370 -0.795 1.00 0.00 N ATOM 53 CA HIS A 8 0.373 6.771 -0.422 1.00 0.00 C ATOM 54 C HIS A 8 1.177 7.681 -1.342 1.00 0.00 C ATOM 55 O HIS A 8 0.772 8.809 -1.623 1.00 0.00 O ATOM 56 CB HIS A 8 0.792 6.995 1.034 1.00 0.00 C ATOM 57 CG HIS A 8 -0.067 6.273 2.026 1.00 0.00 C ATOM 58 ND1 HIS A 8 0.225 5.002 2.475 1.00 0.00 N ATOM 59 CD2 HIS A 8 -1.207 6.643 2.652 1.00 0.00 C ATOM 60 CE1 HIS A 8 -0.701 4.622 3.338 1.00 0.00 C ATOM 61 NE2 HIS A 8 -1.582 5.599 3.463 1.00 0.00 N ATOM 0 H HIS A 8 1.285 4.887 -0.302 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.682 7.022 -0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.826 6.672 1.159 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.763 8.063 1.251 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.726 7.583 2.536 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.732 3.674 3.854 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.406 5.581 4.064 1.00 0.00 H new ATOM 69 N LEU A 9 2.318 7.184 -1.808 1.00 0.00 N ATOM 70 CA LEU A 9 3.181 7.953 -2.696 1.00 0.00 C ATOM 71 C LEU A 9 2.516 8.186 -4.047 1.00 0.00 C ATOM 72 O LEU A 9 2.698 9.233 -4.668 1.00 0.00 O ATOM 73 CB LEU A 9 4.525 7.238 -2.879 1.00 0.00 C ATOM 74 CG LEU A 9 5.410 7.183 -1.627 1.00 0.00 C ATOM 75 CD1 LEU A 9 6.600 6.264 -1.869 1.00 0.00 C ATOM 76 CD2 LEU A 9 5.877 8.587 -1.273 1.00 0.00 C ATOM 0 H LEU A 9 2.666 6.252 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 9 3.357 8.926 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.334 6.219 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.079 7.737 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 9 4.835 6.783 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.222 6.231 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.243 5.260 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.187 6.642 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.506 8.548 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.449 9.000 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.011 9.220 -1.078 1.00 0.00 H new ATOM 88 N LEU A 10 1.745 7.202 -4.497 1.00 0.00 N ATOM 89 CA LEU A 10 0.995 7.325 -5.742 1.00 0.00 C ATOM 90 C LEU A 10 0.004 8.480 -5.676 1.00 0.00 C ATOM 91 O LEU A 10 -0.137 9.246 -6.629 1.00 0.00 O ATOM 92 CB LEU A 10 0.265 6.013 -6.053 1.00 0.00 C ATOM 93 CG LEU A 10 1.165 4.856 -6.502 1.00 0.00 C ATOM 94 CD1 LEU A 10 0.374 3.556 -6.521 1.00 0.00 C ATOM 95 CD2 LEU A 10 1.735 5.161 -7.880 1.00 0.00 C ATOM 0 H LEU A 10 1.623 6.310 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 10 1.703 7.535 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.284 5.702 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.473 6.202 -6.833 1.00 0.00 H new ATOM 0 HG LEU A 10 1.990 4.742 -5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.022 2.740 -6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.006 3.347 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.462 3.649 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.375 4.338 -8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.919 5.284 -8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.320 6.080 -7.837 1.00 0.00 H new ATOM 107 N SER A 11 -0.681 8.602 -4.543 1.00 0.00 N ATOM 108 CA SER A 11 -1.693 9.637 -4.367 1.00 0.00 C ATOM 109 C SER A 11 -1.055 10.984 -4.055 1.00 0.00 C ATOM 110 O SER A 11 -1.657 12.034 -4.280 1.00 0.00 O ATOM 111 CB SER A 11 -2.657 9.241 -3.265 1.00 0.00 C ATOM 112 OG SER A 11 -2.037 9.210 -2.009 1.00 0.00 O ATOM 0 H SER A 11 -0.553 7.996 -3.733 1.00 0.00 H new ATOM 0 HA SER A 11 -2.244 9.737 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.489 9.945 -3.241 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.077 8.260 -3.486 1.00 0.00 H new ATOM 0 HG SER A 11 -1.075 9.059 -2.123 1.00 0.00 H new ATOM 118 N THR A 12 0.167 10.948 -3.536 1.00 0.00 N ATOM 119 CA THR A 12 0.896 12.167 -3.204 1.00 0.00 C ATOM 120 C THR A 12 1.114 13.031 -4.439 1.00 0.00 C ATOM 121 O THR A 12 0.802 14.222 -4.439 1.00 0.00 O ATOM 122 CB THR A 12 2.259 11.854 -2.562 1.00 0.00 C ATOM 123 OG1 THR A 12 2.060 11.155 -1.325 1.00 0.00 O ATOM 124 CG2 THR A 12 3.031 13.138 -2.294 1.00 0.00 C ATOM 0 H THR A 12 0.675 10.086 -3.336 1.00 0.00 H new ATOM 0 HA THR A 12 0.284 12.713 -2.486 1.00 0.00 H new ATOM 0 HB THR A 12 2.832 11.233 -3.251 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.734 10.249 -1.510 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.992 12.897 -1.840 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.196 13.666 -3.233 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.459 13.772 -1.617 1.00 0.00 H new ATOM 132 N LEU A 13 1.651 12.424 -5.492 1.00 0.00 N ATOM 133 CA LEU A 13 1.966 13.150 -6.716 1.00 0.00 C ATOM 134 C LEU A 13 0.756 13.225 -7.639 1.00 0.00 C ATOM 135 O LEU A 13 0.694 14.074 -8.529 1.00 0.00 O ATOM 136 CB LEU A 13 3.146 12.487 -7.437 1.00 0.00 C ATOM 137 CG LEU A 13 4.471 12.491 -6.663 1.00 0.00 C ATOM 138 CD1 LEU A 13 5.541 11.751 -7.453 1.00 0.00 C ATOM 139 CD2 LEU A 13 4.896 13.926 -6.393 1.00 0.00 C ATOM 0 H LEU A 13 1.877 11.430 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 13 2.244 14.168 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.879 11.455 -7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.299 12.993 -8.390 1.00 0.00 H new ATOM 0 HG LEU A 13 4.337 11.979 -5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.477 11.760 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.226 10.720 -7.616 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.688 12.242 -8.415 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.837 13.929 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.027 14.451 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.129 14.428 -5.803 1.00 0.00 H new ATOM 151 N GLU A 14 -0.203 12.333 -7.422 1.00 0.00 N ATOM 152 CA GLU A 14 -1.472 12.382 -8.139 1.00 0.00 C ATOM 153 C GLU A 14 -2.263 13.630 -7.774 1.00 0.00 C ATOM 154 O GLU A 14 -2.821 14.301 -8.643 1.00 0.00 O ATOM 155 CB GLU A 14 -2.301 11.129 -7.848 1.00 0.00 C ATOM 156 CG GLU A 14 -3.635 11.074 -8.578 1.00 0.00 C ATOM 157 CD GLU A 14 -4.383 9.811 -8.255 1.00 0.00 C ATOM 158 OE1 GLU A 14 -3.873 9.017 -7.502 1.00 0.00 O ATOM 159 OE2 GLU A 14 -5.511 9.689 -8.671 1.00 0.00 O ATOM 0 H GLU A 14 -0.126 11.566 -6.754 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.251 12.419 -9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.716 10.250 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.485 11.071 -6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.239 11.938 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.466 11.134 -9.653 1.00 0.00 H new ATOM 166 N GLU A 15 -2.310 13.939 -6.482 1.00 0.00 N ATOM 167 CA GLU A 15 -3.025 15.114 -6.000 1.00 0.00 C ATOM 168 C GLU A 15 -2.218 16.385 -6.235 1.00 0.00 C ATOM 169 O GLU A 15 -2.780 17.469 -6.387 1.00 0.00 O ATOM 170 CB GLU A 15 -3.355 14.969 -4.513 1.00 0.00 C ATOM 171 CG GLU A 15 -4.371 13.879 -4.198 1.00 0.00 C ATOM 172 CD GLU A 15 -4.591 13.749 -2.717 1.00 0.00 C ATOM 173 OE1 GLU A 15 -3.986 14.489 -1.978 1.00 0.00 O ATOM 174 OE2 GLU A 15 -5.445 12.987 -2.327 1.00 0.00 O ATOM 0 H GLU A 15 -1.860 13.390 -5.749 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.955 15.191 -6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.435 14.760 -3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.735 15.921 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.317 14.107 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.024 12.928 -4.601 1.00 0.00 H new ATOM 181 N LEU A 16 -0.898 16.244 -6.263 1.00 0.00 N ATOM 182 CA LEU A 16 -0.014 17.367 -6.552 1.00 0.00 C ATOM 183 C LEU A 16 -0.253 17.909 -7.956 1.00 0.00 C ATOM 184 O LEU A 16 -0.191 17.168 -8.937 1.00 0.00 O ATOM 185 CB LEU A 16 1.452 16.944 -6.387 1.00 0.00 C ATOM 186 CG LEU A 16 2.479 18.070 -6.559 1.00 0.00 C ATOM 187 CD1 LEU A 16 2.248 19.151 -5.512 1.00 0.00 C ATOM 188 CD2 LEU A 16 3.885 17.498 -6.442 1.00 0.00 C ATOM 0 H LEU A 16 -0.416 15.362 -6.089 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.236 18.163 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.578 16.507 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.671 16.160 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 16 2.364 18.520 -7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.982 19.946 -5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.245 19.561 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.352 18.721 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.615 18.298 -6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.011 17.039 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.038 16.746 -7.217 1.00 0.00 H new ATOM 200 N VAL A 17 -0.528 19.206 -8.044 1.00 0.00 N ATOM 201 CA VAL A 17 -0.874 19.831 -9.315 1.00 0.00 C ATOM 202 C VAL A 17 0.338 19.917 -10.234 1.00 0.00 C ATOM 203 O VAL A 17 1.480 19.888 -9.776 1.00 0.00 O ATOM 204 CB VAL A 17 -1.453 21.243 -9.111 1.00 0.00 C ATOM 205 CG1 VAL A 17 -2.711 21.186 -8.257 1.00 0.00 C ATOM 206 CG2 VAL A 17 -0.419 22.156 -8.472 1.00 0.00 C ATOM 0 H VAL A 17 -0.518 19.845 -7.249 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.633 19.201 -9.779 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.717 21.650 -10.087 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.106 22.193 -8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.459 20.566 -8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.471 20.758 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.846 23.150 -8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.125 21.751 -7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.456 22.223 -9.118 1.00 0.00 H new ATOM 216 N PRO A 18 0.082 20.023 -11.533 1.00 0.00 N ATOM 217 CA PRO A 18 1.149 20.047 -12.526 1.00 0.00 C ATOM 218 C PRO A 18 2.146 21.162 -12.237 1.00 0.00 C ATOM 219 O PRO A 18 3.346 21.012 -12.470 1.00 0.00 O ATOM 220 CB PRO A 18 0.420 20.254 -13.856 1.00 0.00 C ATOM 221 CG PRO A 18 -0.935 19.676 -13.632 1.00 0.00 C ATOM 222 CD PRO A 18 -1.270 19.990 -12.198 1.00 0.00 C ATOM 0 HA PRO A 18 1.744 19.133 -12.528 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.363 21.311 -14.117 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.936 19.751 -14.674 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.666 20.114 -14.311 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.938 18.601 -13.810 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.789 20.944 -12.104 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.917 19.231 -11.759 1.00 0.00 H new ATOM 230 N TYR A 19 1.642 22.282 -11.729 1.00 0.00 N ATOM 231 CA TYR A 19 2.468 23.461 -11.504 1.00 0.00 C ATOM 232 C TYR A 19 3.594 23.166 -10.522 1.00 0.00 C ATOM 233 O TYR A 19 4.759 23.460 -10.791 1.00 0.00 O ATOM 234 CB TYR A 19 1.614 24.623 -10.990 1.00 0.00 C ATOM 235 CG TYR A 19 2.411 25.858 -10.633 1.00 0.00 C ATOM 236 CD1 TYR A 19 2.953 26.667 -11.620 1.00 0.00 C ATOM 237 CD2 TYR A 19 2.617 26.212 -9.308 1.00 0.00 C ATOM 238 CE1 TYR A 19 3.682 27.797 -11.299 1.00 0.00 C ATOM 239 CE2 TYR A 19 3.343 27.339 -8.975 1.00 0.00 C ATOM 240 CZ TYR A 19 3.874 28.129 -9.974 1.00 0.00 C ATOM 241 OH TYR A 19 4.598 29.253 -9.648 1.00 0.00 O ATOM 0 H TYR A 19 0.663 22.397 -11.465 1.00 0.00 H new ATOM 0 HA TYR A 19 2.913 23.743 -12.458 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.878 24.885 -11.751 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.060 24.293 -10.111 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.803 26.410 -12.658 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.203 25.596 -8.523 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.098 28.416 -12.080 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.494 27.600 -7.938 1.00 0.00 H new ATOM 0 HH TYR A 19 4.269 29.620 -8.801 1.00 0.00 H new ATOM 251 N ASP A 20 3.240 22.583 -9.382 1.00 0.00 N ATOM 252 CA ASP A 20 4.216 22.272 -8.344 1.00 0.00 C ATOM 253 C ASP A 20 4.798 20.879 -8.534 1.00 0.00 C ATOM 254 O ASP A 20 5.828 20.540 -7.949 1.00 0.00 O ATOM 255 CB ASP A 20 3.581 22.393 -6.957 1.00 0.00 C ATOM 256 CG ASP A 20 3.179 23.809 -6.569 1.00 0.00 C ATOM 257 OD1 ASP A 20 3.991 24.693 -6.701 1.00 0.00 O ATOM 258 OD2 ASP A 20 2.022 24.023 -6.295 1.00 0.00 O ATOM 0 H ASP A 20 2.283 22.316 -9.153 1.00 0.00 H new ATOM 0 HA ASP A 20 5.029 22.994 -8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.698 21.755 -6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.283 22.012 -6.215 1.00 0.00 H new ATOM 263 N PHE A 21 4.134 20.072 -9.355 1.00 0.00 N ATOM 264 CA PHE A 21 4.660 18.768 -9.741 1.00 0.00 C ATOM 265 C PHE A 21 5.893 18.910 -10.624 1.00 0.00 C ATOM 266 O PHE A 21 6.861 18.164 -10.480 1.00 0.00 O ATOM 267 CB PHE A 21 3.587 17.950 -10.461 1.00 0.00 C ATOM 268 CG PHE A 21 4.075 16.624 -10.970 1.00 0.00 C ATOM 269 CD1 PHE A 21 4.339 15.583 -10.093 1.00 0.00 C ATOM 270 CD2 PHE A 21 4.273 16.414 -12.326 1.00 0.00 C ATOM 271 CE1 PHE A 21 4.788 14.362 -10.559 1.00 0.00 C ATOM 272 CE2 PHE A 21 4.720 15.195 -12.796 1.00 0.00 C ATOM 273 CZ PHE A 21 4.979 14.168 -11.910 1.00 0.00 C ATOM 0 H PHE A 21 3.229 20.299 -9.767 1.00 0.00 H new ATOM 0 HA PHE A 21 4.953 18.244 -8.831 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.753 17.782 -9.779 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.202 18.531 -11.299 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.192 15.728 -9.033 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.075 17.214 -13.024 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.989 13.560 -9.864 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.867 15.045 -13.855 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.331 13.214 -12.275 1.00 0.00 H new ATOM 283 N GLU A 22 5.850 19.873 -11.540 1.00 0.00 N ATOM 284 CA GLU A 22 7.013 20.210 -12.351 1.00 0.00 C ATOM 285 C GLU A 22 8.171 20.685 -11.484 1.00 0.00 C ATOM 286 O GLU A 22 9.332 20.380 -11.759 1.00 0.00 O ATOM 287 CB GLU A 22 6.654 21.281 -13.383 1.00 0.00 C ATOM 288 CG GLU A 22 7.767 21.603 -14.370 1.00 0.00 C ATOM 289 CD GLU A 22 8.001 20.461 -15.320 1.00 0.00 C ATOM 290 OE1 GLU A 22 7.161 19.598 -15.400 1.00 0.00 O ATOM 291 OE2 GLU A 22 8.965 20.508 -16.048 1.00 0.00 O ATOM 0 H GLU A 22 5.021 20.433 -11.738 1.00 0.00 H new ATOM 0 HA GLU A 22 7.328 19.307 -12.873 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.776 20.952 -13.939 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.375 22.195 -12.858 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.509 22.500 -14.933 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.686 21.821 -13.827 1.00 0.00 H new ATOM 298 N LYS A 23 7.849 21.435 -10.435 1.00 0.00 N ATOM 299 CA LYS A 23 8.849 21.864 -9.465 1.00 0.00 C ATOM 300 C LYS A 23 9.364 20.687 -8.647 1.00 0.00 C ATOM 301 O LYS A 23 10.549 20.617 -8.318 1.00 0.00 O ATOM 302 CB LYS A 23 8.271 22.936 -8.538 1.00 0.00 C ATOM 303 CG LYS A 23 7.969 24.262 -9.222 1.00 0.00 C ATOM 304 CD LYS A 23 7.426 25.283 -8.234 1.00 0.00 C ATOM 305 CE LYS A 23 6.978 26.554 -8.940 1.00 0.00 C ATOM 306 NZ LYS A 23 6.482 27.578 -7.981 1.00 0.00 N ATOM 0 H LYS A 23 6.902 21.758 -10.235 1.00 0.00 H new ATOM 0 HA LYS A 23 9.688 22.288 -10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.353 22.555 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.974 23.113 -7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.876 24.649 -9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.244 24.105 -10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.586 24.853 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.194 25.524 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.811 26.965 -9.511 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.190 26.314 -9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.699 28.109 -8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.146 27.109 -7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.254 28.233 -7.742 1.00 0.00 H new ATOM 320 N PHE A 24 8.467 19.763 -8.320 1.00 0.00 N ATOM 321 CA PHE A 24 8.841 18.557 -7.590 1.00 0.00 C ATOM 322 C PHE A 24 9.890 17.756 -8.351 1.00 0.00 C ATOM 323 O PHE A 24 10.877 17.300 -7.773 1.00 0.00 O ATOM 324 CB PHE A 24 7.608 17.691 -7.324 1.00 0.00 C ATOM 325 CG PHE A 24 7.886 16.488 -6.466 1.00 0.00 C ATOM 326 CD1 PHE A 24 8.388 15.322 -7.023 1.00 0.00 C ATOM 327 CD2 PHE A 24 7.647 16.522 -5.101 1.00 0.00 C ATOM 328 CE1 PHE A 24 8.644 14.215 -6.237 1.00 0.00 C ATOM 329 CE2 PHE A 24 7.903 15.418 -4.311 1.00 0.00 C ATOM 330 CZ PHE A 24 8.401 14.264 -4.879 1.00 0.00 C ATOM 0 H PHE A 24 7.475 19.826 -8.549 1.00 0.00 H new ATOM 0 HA PHE A 24 9.272 18.863 -6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 24 6.844 18.301 -6.842 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.196 17.359 -8.277 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.581 15.278 -8.085 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.256 17.422 -4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 24 9.034 13.313 -6.684 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.713 15.459 -3.249 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.601 13.400 -4.262 1.00 0.00 H new ATOM 340 N LYS A 25 9.670 17.588 -9.650 1.00 0.00 N ATOM 341 CA LYS A 25 10.622 16.885 -10.503 1.00 0.00 C ATOM 342 C LYS A 25 11.960 17.612 -10.549 1.00 0.00 C ATOM 343 O LYS A 25 13.019 16.984 -10.510 1.00 0.00 O ATOM 344 CB LYS A 25 10.060 16.729 -11.918 1.00 0.00 C ATOM 345 CG LYS A 25 8.878 15.776 -12.023 1.00 0.00 C ATOM 346 CD LYS A 25 8.434 15.602 -13.468 1.00 0.00 C ATOM 347 CE LYS A 25 7.983 16.923 -14.073 1.00 0.00 C ATOM 348 NZ LYS A 25 7.480 16.756 -15.463 1.00 0.00 N ATOM 0 H LYS A 25 8.841 17.929 -10.136 1.00 0.00 H new ATOM 0 HA LYS A 25 10.785 15.896 -10.076 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.755 17.709 -12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.855 16.376 -12.575 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.151 14.807 -11.605 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.047 16.157 -11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.256 15.192 -14.056 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.618 14.881 -13.515 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.198 17.357 -13.453 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.816 17.626 -14.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.375 17.690 -15.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.155 16.185 -16.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.557 16.276 -15.443 1.00 0.00 H new ATOM 362 N PHE A 26 11.907 18.936 -10.633 1.00 0.00 N ATOM 363 CA PHE A 26 13.115 19.750 -10.685 1.00 0.00 C ATOM 364 C PHE A 26 13.959 19.563 -9.430 1.00 0.00 C ATOM 365 O PHE A 26 15.186 19.493 -9.502 1.00 0.00 O ATOM 366 CB PHE A 26 12.758 21.227 -10.863 1.00 0.00 C ATOM 367 CG PHE A 26 13.945 22.145 -10.837 1.00 0.00 C ATOM 368 CD1 PHE A 26 14.768 22.271 -11.947 1.00 0.00 C ATOM 369 CD2 PHE A 26 14.244 22.887 -9.704 1.00 0.00 C ATOM 370 CE1 PHE A 26 15.862 23.115 -11.925 1.00 0.00 C ATOM 371 CE2 PHE A 26 15.336 23.733 -9.679 1.00 0.00 C ATOM 372 CZ PHE A 26 16.145 23.846 -10.790 1.00 0.00 C ATOM 0 H PHE A 26 11.038 19.470 -10.667 1.00 0.00 H new ATOM 0 HA PHE A 26 13.702 19.422 -11.543 1.00 0.00 H new ATOM 0 HB2 PHE A 26 12.234 21.353 -11.810 1.00 0.00 H new ATOM 0 HB3 PHE A 26 12.066 21.521 -10.074 1.00 0.00 H new ATOM 0 HD1 PHE A 26 14.551 21.702 -12.839 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.615 22.802 -8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.495 23.202 -12.796 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.556 24.305 -8.790 1.00 0.00 H new ATOM 0 HZ PHE A 26 16.999 24.506 -10.771 1.00 0.00 H new ATOM 382 N LYS A 27 13.295 19.484 -8.282 1.00 0.00 N ATOM 383 CA LYS A 27 13.986 19.369 -7.004 1.00 0.00 C ATOM 384 C LYS A 27 14.385 17.926 -6.721 1.00 0.00 C ATOM 385 O LYS A 27 15.350 17.668 -6.002 1.00 0.00 O ATOM 386 CB LYS A 27 13.108 19.903 -5.871 1.00 0.00 C ATOM 387 CG LYS A 27 12.827 21.398 -5.944 1.00 0.00 C ATOM 388 CD LYS A 27 14.111 22.208 -5.848 1.00 0.00 C ATOM 389 CE LYS A 27 13.826 23.703 -5.850 1.00 0.00 C ATOM 390 NZ LYS A 27 15.074 24.508 -5.764 1.00 0.00 N ATOM 0 H LYS A 27 12.278 19.498 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 27 14.894 19.969 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.159 19.367 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.591 19.682 -4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.318 21.629 -6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.153 21.683 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.645 21.939 -4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.763 21.959 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.286 23.968 -6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.177 23.950 -5.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.835 25.520 -5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.578 24.275 -4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.683 24.293 -6.579 1.00 0.00 H new ATOM 404 N LEU A 28 13.636 16.989 -7.291 1.00 0.00 N ATOM 405 CA LEU A 28 13.926 15.569 -7.122 1.00 0.00 C ATOM 406 C LEU A 28 15.194 15.173 -7.868 1.00 0.00 C ATOM 407 O LEU A 28 16.040 14.457 -7.336 1.00 0.00 O ATOM 408 CB LEU A 28 12.738 14.725 -7.602 1.00 0.00 C ATOM 409 CG LEU A 28 12.917 13.208 -7.461 1.00 0.00 C ATOM 410 CD1 LEU A 28 13.079 12.836 -5.993 1.00 0.00 C ATOM 411 CD2 LEU A 28 11.716 12.496 -8.067 1.00 0.00 C ATOM 0 H LEU A 28 12.823 17.187 -7.874 1.00 0.00 H new ATOM 0 HA LEU A 28 14.089 15.380 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.851 15.024 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.548 14.957 -8.650 1.00 0.00 H new ATOM 0 HG LEU A 28 13.816 12.897 -7.994 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.205 11.757 -5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.955 13.339 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.192 13.145 -5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.843 11.418 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.809 12.804 -7.546 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.634 12.755 -9.123 1.00 0.00 H new ATOM 423 N GLN A 29 15.318 15.645 -9.104 1.00 0.00 N ATOM 424 CA GLN A 29 16.460 15.302 -9.943 1.00 0.00 C ATOM 425 C GLN A 29 17.737 15.953 -9.429 1.00 0.00 C ATOM 426 O GLN A 29 18.842 15.557 -9.802 1.00 0.00 O ATOM 427 CB GLN A 29 16.209 15.732 -11.391 1.00 0.00 C ATOM 428 CG GLN A 29 16.277 17.233 -11.616 1.00 0.00 C ATOM 429 CD GLN A 29 16.039 17.613 -13.065 1.00 0.00 C ATOM 430 OE1 GLN A 29 15.833 16.749 -13.922 1.00 0.00 O ATOM 431 NE2 GLN A 29 16.073 18.910 -13.349 1.00 0.00 N ATOM 0 H GLN A 29 14.641 16.266 -9.547 1.00 0.00 H new ATOM 0 HA GLN A 29 16.585 14.220 -9.906 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.942 15.246 -12.035 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.227 15.374 -11.699 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.535 17.726 -10.988 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.254 17.600 -11.303 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.247 19.590 -12.609 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.925 19.226 -14.307 1.00 0.00 H new ATOM 440 N ASN A 30 17.580 16.953 -8.568 1.00 0.00 N ATOM 441 CA ASN A 30 18.721 17.602 -7.931 1.00 0.00 C ATOM 442 C ASN A 30 19.072 16.927 -6.611 1.00 0.00 C ATOM 443 O ASN A 30 20.110 17.211 -6.015 1.00 0.00 O ATOM 444 CB ASN A 30 18.466 19.082 -7.712 1.00 0.00 C ATOM 445 CG ASN A 30 18.458 19.889 -8.980 1.00 0.00 C ATOM 446 OD1 ASN A 30 19.095 19.526 -9.975 1.00 0.00 O ATOM 447 ND2 ASN A 30 17.806 21.022 -8.924 1.00 0.00 N ATOM 0 H ASN A 30 16.673 17.332 -8.295 1.00 0.00 H new ATOM 0 HA ASN A 30 19.569 17.499 -8.608 1.00 0.00 H new ATOM 0 HB2 ASN A 30 17.508 19.206 -7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 30 19.231 19.478 -7.045 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.809 21.652 -9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.295 21.275 -8.078 1.00 0.00 H new ATOM 454 N THR A 31 18.200 16.031 -6.161 1.00 0.00 N ATOM 455 CA THR A 31 18.420 15.308 -4.913 1.00 0.00 C ATOM 456 C THR A 31 19.595 14.348 -5.034 1.00 0.00 C ATOM 457 O THR A 31 19.754 13.670 -6.049 1.00 0.00 O ATOM 458 CB THR A 31 17.167 14.521 -4.488 1.00 0.00 C ATOM 459 OG1 THR A 31 16.058 15.418 -4.351 1.00 0.00 O ATOM 460 CG2 THR A 31 17.407 13.811 -3.164 1.00 0.00 C ATOM 0 H THR A 31 17.334 15.788 -6.642 1.00 0.00 H new ATOM 0 HA THR A 31 18.643 16.055 -4.151 1.00 0.00 H new ATOM 0 HB THR A 31 16.948 13.777 -5.254 1.00 0.00 H new ATOM 0 HG1 THR A 31 15.994 15.983 -5.149 1.00 0.00 H new ATOM 0 HG21 THR A 31 16.511 13.260 -2.879 1.00 0.00 H new ATOM 0 HG22 THR A 31 18.241 13.118 -3.269 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.641 14.546 -2.394 1.00 0.00 H new ATOM 468 N SER A 32 20.417 14.292 -3.991 1.00 0.00 N ATOM 469 CA SER A 32 21.608 13.451 -3.998 1.00 0.00 C ATOM 470 C SER A 32 21.239 11.975 -3.938 1.00 0.00 C ATOM 471 O SER A 32 20.080 11.622 -3.717 1.00 0.00 O ATOM 472 CB SER A 32 22.512 13.817 -2.836 1.00 0.00 C ATOM 473 OG SER A 32 21.941 13.486 -1.600 1.00 0.00 O ATOM 0 H SER A 32 20.280 14.820 -3.129 1.00 0.00 H new ATOM 0 HA SER A 32 22.142 13.625 -4.932 1.00 0.00 H new ATOM 0 HB2 SER A 32 23.467 13.302 -2.944 1.00 0.00 H new ATOM 0 HB3 SER A 32 22.722 14.886 -2.863 1.00 0.00 H new ATOM 0 HG SER A 32 22.555 13.736 -0.878 1.00 0.00 H new ATOM 479 N VAL A 33 22.231 11.113 -4.136 1.00 0.00 N ATOM 480 CA VAL A 33 22.002 9.673 -4.170 1.00 0.00 C ATOM 481 C VAL A 33 23.049 8.929 -3.353 1.00 0.00 C ATOM 482 O VAL A 33 24.230 9.275 -3.378 1.00 0.00 O ATOM 483 CB VAL A 33 22.011 9.133 -5.613 1.00 0.00 C ATOM 484 CG1 VAL A 33 23.353 9.405 -6.275 1.00 0.00 C ATOM 485 CG2 VAL A 33 21.703 7.644 -5.626 1.00 0.00 C ATOM 0 H VAL A 33 23.203 11.388 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 33 21.018 9.502 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 33 21.236 9.650 -6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 33 23.342 9.017 -7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 33 23.536 10.479 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.144 8.914 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.713 7.279 -6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 33 22.456 7.112 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.719 7.472 -5.190 1.00 0.00 H new ATOM 495 N GLN A 34 22.610 7.905 -2.629 1.00 0.00 N ATOM 496 CA GLN A 34 23.508 7.114 -1.797 1.00 0.00 C ATOM 497 C GLN A 34 24.196 6.024 -2.610 1.00 0.00 C ATOM 498 O GLN A 34 23.726 5.647 -3.684 1.00 0.00 O ATOM 499 CB GLN A 34 22.743 6.484 -0.630 1.00 0.00 C ATOM 500 CG GLN A 34 22.066 7.490 0.284 1.00 0.00 C ATOM 501 CD GLN A 34 23.056 8.436 0.937 1.00 0.00 C ATOM 502 OE1 GLN A 34 24.039 8.006 1.546 1.00 0.00 O ATOM 503 NE2 GLN A 34 22.799 9.734 0.817 1.00 0.00 N ATOM 0 H GLN A 34 21.636 7.603 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 34 24.272 7.785 -1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 34 21.988 5.806 -1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 34 23.434 5.881 -0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 34 21.340 8.067 -0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 34 21.511 6.958 1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 34 21.974 10.045 0.304 1.00 0.00 H new ATOM 0 HE22 GLN A 34 23.427 10.419 1.238 1.00 0.00 H new ATOM 512 N LYS A 35 25.310 5.520 -2.092 1.00 0.00 N ATOM 513 CA LYS A 35 26.040 4.440 -2.746 1.00 0.00 C ATOM 514 C LYS A 35 25.360 3.096 -2.513 1.00 0.00 C ATOM 515 O LYS A 35 25.637 2.121 -3.212 1.00 0.00 O ATOM 516 CB LYS A 35 27.485 4.391 -2.248 1.00 0.00 C ATOM 517 CG LYS A 35 28.328 5.595 -2.648 1.00 0.00 C ATOM 518 CD LYS A 35 29.747 5.479 -2.110 1.00 0.00 C ATOM 519 CE LYS A 35 30.597 6.671 -2.527 1.00 0.00 C ATOM 520 NZ LYS A 35 31.986 6.574 -2.005 1.00 0.00 N ATOM 0 H LYS A 35 25.728 5.843 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 35 26.042 4.640 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 35 27.480 4.311 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 35 27.959 3.487 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 35 28.354 5.679 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 35 27.866 6.507 -2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 35 29.721 5.411 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 35 30.203 4.559 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 35 30.622 6.736 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 35 30.136 7.590 -2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 32.531 7.405 -2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 31.965 6.538 -0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 32.435 5.711 -2.372 1.00 0.00 H new ATOM 534 N GLU A 36 24.470 3.052 -1.527 1.00 0.00 N ATOM 535 CA GLU A 36 23.754 1.827 -1.198 1.00 0.00 C ATOM 536 C GLU A 36 22.540 1.638 -2.099 1.00 0.00 C ATOM 537 O GLU A 36 21.987 0.542 -2.190 1.00 0.00 O ATOM 538 CB GLU A 36 23.320 1.838 0.270 1.00 0.00 C ATOM 539 CG GLU A 36 24.472 1.817 1.265 1.00 0.00 C ATOM 540 CD GLU A 36 23.971 1.873 2.682 1.00 0.00 C ATOM 541 OE1 GLU A 36 22.777 1.905 2.869 1.00 0.00 O ATOM 542 OE2 GLU A 36 24.773 1.772 3.580 1.00 0.00 O ATOM 0 H GLU A 36 24.228 3.852 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 36 24.434 0.991 -1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 36 22.715 2.727 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 36 22.681 0.975 0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 36 25.063 0.912 1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 36 25.133 2.663 1.077 1.00 0.00 H new ATOM 549 N HIS A 37 22.131 2.713 -2.765 1.00 0.00 N ATOM 550 CA HIS A 37 20.939 2.686 -3.604 1.00 0.00 C ATOM 551 C HIS A 37 21.276 3.030 -5.050 1.00 0.00 C ATOM 552 O HIS A 37 22.407 3.396 -5.363 1.00 0.00 O ATOM 553 CB HIS A 37 19.879 3.654 -3.068 1.00 0.00 C ATOM 554 CG HIS A 37 19.442 3.353 -1.669 1.00 0.00 C ATOM 555 ND1 HIS A 37 18.679 2.250 -1.349 1.00 0.00 N ATOM 556 CD2 HIS A 37 19.660 4.011 -0.506 1.00 0.00 C ATOM 557 CE1 HIS A 37 18.446 2.242 -0.048 1.00 0.00 C ATOM 558 NE2 HIS A 37 19.030 3.299 0.486 1.00 0.00 N ATOM 0 H HIS A 37 22.608 3.614 -2.740 1.00 0.00 H new ATOM 0 HA HIS A 37 20.538 1.673 -3.577 1.00 0.00 H new ATOM 0 HB2 HIS A 37 20.275 4.669 -3.105 1.00 0.00 H new ATOM 0 HB3 HIS A 37 19.009 3.627 -3.725 1.00 0.00 H new ATOM 0 HD2 HIS A 37 20.223 4.924 -0.381 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.875 1.498 0.487 1.00 0.00 H new ATOM 0 HE2 HIS A 37 19.016 3.547 1.475 1.00 0.00 H new ATOM 566 N SER A 38 20.284 2.909 -5.927 1.00 0.00 N ATOM 567 CA SER A 38 20.478 3.189 -7.345 1.00 0.00 C ATOM 568 C SER A 38 20.066 4.615 -7.685 1.00 0.00 C ATOM 569 O SER A 38 19.205 5.197 -7.025 1.00 0.00 O ATOM 570 CB SER A 38 19.695 2.198 -8.183 1.00 0.00 C ATOM 571 OG SER A 38 20.177 0.890 -8.041 1.00 0.00 O ATOM 0 H SER A 38 19.338 2.619 -5.680 1.00 0.00 H new ATOM 0 HA SER A 38 21.539 3.084 -7.571 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.645 2.230 -7.894 1.00 0.00 H new ATOM 0 HB3 SER A 38 19.746 2.491 -9.232 1.00 0.00 H new ATOM 0 HG SER A 38 19.644 0.283 -8.596 1.00 0.00 H new ATOM 577 N ARG A 39 20.686 5.174 -8.719 1.00 0.00 N ATOM 578 CA ARG A 39 20.402 6.543 -9.134 1.00 0.00 C ATOM 579 C ARG A 39 19.366 6.577 -10.250 1.00 0.00 C ATOM 580 O ARG A 39 19.488 5.865 -11.246 1.00 0.00 O ATOM 581 CB ARG A 39 21.665 7.297 -9.523 1.00 0.00 C ATOM 582 CG ARG A 39 21.462 8.776 -9.813 1.00 0.00 C ATOM 583 CD ARG A 39 22.709 9.509 -10.156 1.00 0.00 C ATOM 584 NE ARG A 39 23.297 9.132 -11.431 1.00 0.00 N ATOM 585 CZ ARG A 39 24.493 9.563 -11.877 1.00 0.00 C ATOM 586 NH1 ARG A 39 25.213 10.412 -11.177 1.00 0.00 N ATOM 587 NH2 ARG A 39 24.915 9.127 -13.051 1.00 0.00 N ATOM 0 H ARG A 39 21.389 4.700 -9.285 1.00 0.00 H new ATOM 0 HA ARG A 39 19.980 7.059 -8.272 1.00 0.00 H new ATOM 0 HB2 ARG A 39 22.394 7.196 -8.719 1.00 0.00 H new ATOM 0 HB3 ARG A 39 22.096 6.824 -10.405 1.00 0.00 H new ATOM 0 HG2 ARG A 39 20.756 8.879 -10.637 1.00 0.00 H new ATOM 0 HG3 ARG A 39 21.006 9.246 -8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 39 22.495 10.578 -10.170 1.00 0.00 H new ATOM 0 HD3 ARG A 39 23.443 9.341 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 39 22.768 8.498 -12.029 1.00 0.00 H new ATOM 0 HH11 ARG A 39 24.868 10.755 -10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 39 26.116 10.727 -11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 39 24.339 8.482 -13.593 1.00 0.00 H new ATOM 0 HH22 ARG A 39 25.816 9.435 -13.416 1.00 0.00 H new ATOM 601 N ILE A 40 18.345 7.409 -10.076 1.00 0.00 N ATOM 602 CA ILE A 40 17.333 7.607 -11.108 1.00 0.00 C ATOM 603 C ILE A 40 17.768 8.668 -12.109 1.00 0.00 C ATOM 604 O ILE A 40 18.102 9.792 -11.732 1.00 0.00 O ATOM 605 CB ILE A 40 15.978 8.012 -10.500 1.00 0.00 C ATOM 606 CG1 ILE A 40 15.482 6.933 -9.534 1.00 0.00 C ATOM 607 CG2 ILE A 40 14.955 8.259 -11.598 1.00 0.00 C ATOM 608 CD1 ILE A 40 14.310 7.367 -8.683 1.00 0.00 C ATOM 0 H ILE A 40 18.196 7.958 -9.229 1.00 0.00 H new ATOM 0 HA ILE A 40 17.218 6.653 -11.623 1.00 0.00 H new ATOM 0 HB ILE A 40 16.112 8.938 -9.941 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.196 6.050 -10.106 1.00 0.00 H new ATOM 0 HG13 ILE A 40 16.303 6.638 -8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.003 8.544 -11.151 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.305 9.061 -12.248 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.823 7.349 -12.183 1.00 0.00 H new ATOM 0 HD11 ILE A 40 14.016 6.549 -8.025 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.596 8.231 -8.083 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.472 7.634 -9.327 1.00 0.00 H new ATOM 620 N PRO A 41 17.763 8.306 -13.387 1.00 0.00 N ATOM 621 CA PRO A 41 18.149 9.231 -14.447 1.00 0.00 C ATOM 622 C PRO A 41 17.346 10.522 -14.371 1.00 0.00 C ATOM 623 O PRO A 41 16.140 10.501 -14.129 1.00 0.00 O ATOM 624 CB PRO A 41 17.872 8.454 -15.739 1.00 0.00 C ATOM 625 CG PRO A 41 17.992 7.022 -15.345 1.00 0.00 C ATOM 626 CD PRO A 41 17.449 6.947 -13.943 1.00 0.00 C ATOM 0 HA PRO A 41 19.191 9.545 -14.376 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.879 8.676 -16.131 1.00 0.00 H new ATOM 0 HB3 PRO A 41 18.588 8.713 -16.519 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.427 6.380 -16.020 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.029 6.690 -15.383 1.00 0.00 H new ATOM 0 HD2 PRO A 41 16.378 6.745 -13.935 1.00 0.00 H new ATOM 0 HD3 PRO A 41 17.927 6.155 -13.367 1.00 0.00 H new ATOM 634 N ARG A 42 18.023 11.647 -14.579 1.00 0.00 N ATOM 635 CA ARG A 42 17.378 12.952 -14.516 1.00 0.00 C ATOM 636 C ARG A 42 16.341 13.108 -15.622 1.00 0.00 C ATOM 637 O ARG A 42 15.280 13.696 -15.412 1.00 0.00 O ATOM 638 CB ARG A 42 18.385 14.092 -14.533 1.00 0.00 C ATOM 639 CG ARG A 42 19.253 14.198 -13.289 1.00 0.00 C ATOM 640 CD ARG A 42 20.003 15.474 -13.172 1.00 0.00 C ATOM 641 NE ARG A 42 20.989 15.692 -14.218 1.00 0.00 N ATOM 642 CZ ARG A 42 22.261 15.249 -14.176 1.00 0.00 C ATOM 643 NH1 ARG A 42 22.716 14.597 -13.130 1.00 0.00 N ATOM 644 NH2 ARG A 42 23.046 15.508 -15.207 1.00 0.00 N ATOM 0 H ARG A 42 19.020 11.680 -14.793 1.00 0.00 H new ATOM 0 HA ARG A 42 16.858 13.006 -13.560 1.00 0.00 H new ATOM 0 HB2 ARG A 42 19.033 13.972 -15.401 1.00 0.00 H new ATOM 0 HB3 ARG A 42 17.847 15.031 -14.664 1.00 0.00 H new ATOM 0 HG2 ARG A 42 18.621 14.080 -12.409 1.00 0.00 H new ATOM 0 HG3 ARG A 42 19.963 13.371 -13.285 1.00 0.00 H new ATOM 0 HD2 ARG A 42 19.293 16.301 -13.182 1.00 0.00 H new ATOM 0 HD3 ARG A 42 20.506 15.498 -12.205 1.00 0.00 H new ATOM 0 HE ARG A 42 20.697 16.218 -15.042 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.104 14.419 -12.334 1.00 0.00 H new ATOM 0 HH12 ARG A 42 23.681 14.268 -13.114 1.00 0.00 H new ATOM 0 HH21 ARG A 42 22.684 16.030 -16.005 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.014 15.186 -15.205 1.00 0.00 H new ATOM 658 N SER A 43 16.654 12.577 -16.799 1.00 0.00 N ATOM 659 CA SER A 43 15.742 12.639 -17.934 1.00 0.00 C ATOM 660 C SER A 43 14.531 11.741 -17.718 1.00 0.00 C ATOM 661 O SER A 43 13.442 12.018 -18.221 1.00 0.00 O ATOM 662 CB SER A 43 16.467 12.251 -19.208 1.00 0.00 C ATOM 663 OG SER A 43 16.867 10.908 -19.198 1.00 0.00 O ATOM 0 H SER A 43 17.534 12.098 -16.992 1.00 0.00 H new ATOM 0 HA SER A 43 15.385 13.665 -18.027 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.816 12.429 -20.064 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.342 12.889 -19.335 1.00 0.00 H new ATOM 0 HG SER A 43 17.329 10.698 -20.037 1.00 0.00 H new ATOM 669 N GLN A 44 14.727 10.662 -16.966 1.00 0.00 N ATOM 670 CA GLN A 44 13.628 9.785 -16.586 1.00 0.00 C ATOM 671 C GLN A 44 12.635 10.505 -15.682 1.00 0.00 C ATOM 672 O GLN A 44 11.424 10.439 -15.897 1.00 0.00 O ATOM 673 CB GLN A 44 14.160 8.537 -15.875 1.00 0.00 C ATOM 674 CG GLN A 44 13.087 7.531 -15.496 1.00 0.00 C ATOM 675 CD GLN A 44 12.379 6.955 -16.707 1.00 0.00 C ATOM 676 OE1 GLN A 44 13.018 6.553 -17.685 1.00 0.00 O ATOM 677 NE2 GLN A 44 11.053 6.912 -16.653 1.00 0.00 N ATOM 0 H GLN A 44 15.638 10.375 -16.608 1.00 0.00 H new ATOM 0 HA GLN A 44 13.112 9.487 -17.499 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.889 8.048 -16.521 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.689 8.844 -14.973 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.539 6.721 -14.924 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.356 8.012 -14.846 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.565 7.255 -15.826 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.522 6.536 -17.439 1.00 0.00 H new ATOM 686 N ILE A 45 13.154 11.193 -14.671 1.00 0.00 N ATOM 687 CA ILE A 45 12.315 11.941 -13.742 1.00 0.00 C ATOM 688 C ILE A 45 11.483 12.989 -14.471 1.00 0.00 C ATOM 689 O ILE A 45 10.288 13.134 -14.217 1.00 0.00 O ATOM 690 CB ILE A 45 13.155 12.632 -12.653 1.00 0.00 C ATOM 691 CG1 ILE A 45 13.789 11.592 -11.727 1.00 0.00 C ATOM 692 CG2 ILE A 45 12.297 13.605 -11.858 1.00 0.00 C ATOM 693 CD1 ILE A 45 14.852 12.156 -10.812 1.00 0.00 C ATOM 0 H ILE A 45 14.153 11.248 -14.474 1.00 0.00 H new ATOM 0 HA ILE A 45 11.649 11.219 -13.270 1.00 0.00 H new ATOM 0 HB ILE A 45 13.954 13.194 -13.136 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.007 11.134 -11.121 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.228 10.799 -12.333 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.906 14.085 -11.092 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.892 14.364 -12.528 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.478 13.064 -11.384 1.00 0.00 H new ATOM 0 HD11 ILE A 45 15.254 11.359 -10.187 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.655 12.588 -11.410 1.00 0.00 H new ATOM 0 HD13 ILE A 45 14.415 12.928 -10.179 1.00 0.00 H new ATOM 705 N GLN A 46 12.123 13.717 -15.381 1.00 0.00 N ATOM 706 CA GLN A 46 11.456 14.785 -16.114 1.00 0.00 C ATOM 707 C GLN A 46 10.216 14.270 -16.834 1.00 0.00 C ATOM 708 O GLN A 46 9.185 14.940 -16.873 1.00 0.00 O ATOM 709 CB GLN A 46 12.414 15.421 -17.125 1.00 0.00 C ATOM 710 CG GLN A 46 11.797 16.535 -17.953 1.00 0.00 C ATOM 711 CD GLN A 46 11.397 17.730 -17.108 1.00 0.00 C ATOM 712 OE1 GLN A 46 12.162 18.188 -16.255 1.00 0.00 O ATOM 713 NE2 GLN A 46 10.191 18.238 -17.336 1.00 0.00 N ATOM 0 H GLN A 46 13.104 13.586 -15.628 1.00 0.00 H new ATOM 0 HA GLN A 46 11.146 15.539 -15.390 1.00 0.00 H new ATOM 0 HB2 GLN A 46 13.278 15.817 -16.591 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.782 14.646 -17.797 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.508 16.854 -18.715 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.920 16.153 -18.475 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.592 17.827 -18.052 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.864 19.039 -16.795 1.00 0.00 H new ATOM 722 N ARG A 47 10.324 13.074 -17.403 1.00 0.00 N ATOM 723 CA ARG A 47 9.277 12.539 -18.265 1.00 0.00 C ATOM 724 C ARG A 47 8.442 11.493 -17.533 1.00 0.00 C ATOM 725 O ARG A 47 7.476 10.964 -18.080 1.00 0.00 O ATOM 726 CB ARG A 47 9.831 11.993 -19.572 1.00 0.00 C ATOM 727 CG ARG A 47 10.364 13.046 -20.530 1.00 0.00 C ATOM 728 CD ARG A 47 10.938 12.498 -21.785 1.00 0.00 C ATOM 729 NE ARG A 47 11.471 13.502 -22.693 1.00 0.00 N ATOM 730 CZ ARG A 47 10.732 14.203 -23.576 1.00 0.00 C ATOM 731 NH1 ARG A 47 9.442 13.988 -23.702 1.00 0.00 N ATOM 732 NH2 ARG A 47 11.346 15.097 -24.332 1.00 0.00 N ATOM 0 H ARG A 47 11.127 12.457 -17.282 1.00 0.00 H new ATOM 0 HA ARG A 47 8.621 13.370 -18.525 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.633 11.290 -19.345 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.046 11.429 -20.075 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.556 13.732 -20.783 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.129 13.630 -20.019 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.733 11.798 -21.530 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.167 11.929 -22.304 1.00 0.00 H new ATOM 0 HE ARG A 47 12.473 13.688 -22.659 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.984 13.281 -23.126 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.898 14.528 -24.375 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.351 15.240 -24.238 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.814 15.643 -25.010 1.00 0.00 H new ATOM 746 N ALA A 48 8.823 11.202 -16.294 1.00 0.00 N ATOM 747 CA ALA A 48 8.116 10.214 -15.489 1.00 0.00 C ATOM 748 C ALA A 48 6.753 10.733 -15.049 1.00 0.00 C ATOM 749 O ALA A 48 6.595 11.919 -14.757 1.00 0.00 O ATOM 750 CB ALA A 48 8.951 9.821 -14.279 1.00 0.00 C ATOM 0 H ALA A 48 9.618 11.637 -15.826 1.00 0.00 H new ATOM 0 HA ALA A 48 7.954 9.331 -16.107 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.410 9.083 -13.688 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.897 9.396 -14.613 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.145 10.703 -13.669 1.00 0.00 H new ATOM 756 N ARG A 49 5.770 9.840 -15.007 1.00 0.00 N ATOM 757 CA ARG A 49 4.445 10.184 -14.507 1.00 0.00 C ATOM 758 C ARG A 49 4.436 10.278 -12.987 1.00 0.00 C ATOM 759 O ARG A 49 5.301 9.715 -12.315 1.00 0.00 O ATOM 760 CB ARG A 49 3.375 9.225 -15.012 1.00 0.00 C ATOM 761 CG ARG A 49 3.037 9.365 -16.487 1.00 0.00 C ATOM 762 CD ARG A 49 1.853 8.578 -16.920 1.00 0.00 C ATOM 763 NE ARG A 49 1.453 8.801 -18.300 1.00 0.00 N ATOM 764 CZ ARG A 49 0.344 8.290 -18.868 1.00 0.00 C ATOM 765 NH1 ARG A 49 -0.458 7.496 -18.193 1.00 0.00 N ATOM 766 NH2 ARG A 49 0.095 8.586 -20.131 1.00 0.00 N ATOM 0 H ARG A 49 5.867 8.872 -15.314 1.00 0.00 H new ATOM 0 HA ARG A 49 4.199 11.169 -14.903 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.706 8.203 -14.825 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.466 9.378 -14.430 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.860 10.417 -16.709 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.900 9.055 -17.077 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.067 7.518 -16.784 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.014 8.820 -16.268 1.00 0.00 H new ATOM 0 HE ARG A 49 2.055 9.386 -18.879 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.244 7.259 -17.224 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.294 7.117 -18.638 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.735 9.187 -20.650 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.737 8.213 -20.588 1.00 0.00 H new ATOM 780 N PRO A 50 3.453 10.994 -12.449 1.00 0.00 N ATOM 781 CA PRO A 50 3.319 11.148 -11.006 1.00 0.00 C ATOM 782 C PRO A 50 3.148 9.798 -10.322 1.00 0.00 C ATOM 783 O PRO A 50 3.431 9.653 -9.132 1.00 0.00 O ATOM 784 CB PRO A 50 2.085 12.040 -10.838 1.00 0.00 C ATOM 785 CG PRO A 50 1.356 11.913 -12.132 1.00 0.00 C ATOM 786 CD PRO A 50 2.427 11.765 -13.180 1.00 0.00 C ATOM 0 HA PRO A 50 4.203 11.587 -10.544 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.469 11.712 -10.001 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.366 13.074 -10.640 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.691 11.050 -12.125 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.738 12.790 -12.323 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.067 11.235 -14.062 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.804 12.730 -13.520 1.00 0.00 H new ATOM 794 N VAL A 51 2.682 8.811 -11.080 1.00 0.00 N ATOM 795 CA VAL A 51 2.471 7.470 -10.547 1.00 0.00 C ATOM 796 C VAL A 51 3.653 6.561 -10.858 1.00 0.00 C ATOM 797 O VAL A 51 3.846 5.533 -10.208 1.00 0.00 O ATOM 798 CB VAL A 51 1.186 6.834 -11.110 1.00 0.00 C ATOM 799 CG1 VAL A 51 -0.027 7.676 -10.748 1.00 0.00 C ATOM 800 CG2 VAL A 51 1.289 6.672 -12.620 1.00 0.00 C ATOM 0 H VAL A 51 2.443 8.915 -12.066 1.00 0.00 H new ATOM 0 HA VAL A 51 2.371 7.574 -9.467 1.00 0.00 H new ATOM 0 HB VAL A 51 1.067 5.847 -10.664 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.926 7.212 -11.154 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.112 7.745 -9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.086 8.676 -11.167 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.373 6.221 -13.001 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.432 7.649 -13.082 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.136 6.030 -12.860 1.00 0.00 H new ATOM 810 N LYS A 52 4.443 6.946 -11.855 1.00 0.00 N ATOM 811 CA LYS A 52 5.648 6.204 -12.207 1.00 0.00 C ATOM 812 C LYS A 52 6.822 6.611 -11.325 1.00 0.00 C ATOM 813 O LYS A 52 7.714 5.808 -11.055 1.00 0.00 O ATOM 814 CB LYS A 52 5.999 6.420 -13.681 1.00 0.00 C ATOM 815 CG LYS A 52 5.033 5.763 -14.659 1.00 0.00 C ATOM 816 CD LYS A 52 5.462 5.996 -16.100 1.00 0.00 C ATOM 817 CE LYS A 52 4.525 5.302 -17.076 1.00 0.00 C ATOM 818 NZ LYS A 52 4.981 5.448 -18.485 1.00 0.00 N ATOM 0 H LYS A 52 4.270 7.768 -12.434 1.00 0.00 H new ATOM 0 HA LYS A 52 5.448 5.145 -12.042 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.029 7.491 -13.882 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.002 6.033 -13.864 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.983 4.692 -14.461 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.030 6.162 -14.507 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.479 7.066 -16.308 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.478 5.627 -16.243 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.458 4.244 -16.824 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.523 5.718 -16.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.315 4.961 -19.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.020 6.457 -18.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.927 5.028 -18.589 1.00 0.00 H new ATOM 832 N MET A 53 6.815 7.863 -10.880 1.00 0.00 N ATOM 833 CA MET A 53 7.883 8.380 -10.033 1.00 0.00 C ATOM 834 C MET A 53 7.893 7.690 -8.674 1.00 0.00 C ATOM 835 O MET A 53 8.953 7.437 -8.103 1.00 0.00 O ATOM 836 CB MET A 53 7.733 9.890 -9.857 1.00 0.00 C ATOM 837 CG MET A 53 8.042 10.703 -11.106 1.00 0.00 C ATOM 838 SD MET A 53 7.578 12.438 -10.938 1.00 0.00 S ATOM 839 CE MET A 53 8.780 12.995 -9.734 1.00 0.00 C ATOM 0 H MET A 53 6.081 8.539 -11.092 1.00 0.00 H new ATOM 0 HA MET A 53 8.833 8.171 -10.524 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.713 10.107 -9.540 1.00 0.00 H new ATOM 0 HB3 MET A 53 8.393 10.217 -9.053 1.00 0.00 H new ATOM 0 HG2 MET A 53 9.108 10.635 -11.324 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.514 10.270 -11.956 1.00 0.00 H new ATOM 0 HE1 MET A 53 8.728 14.080 -9.643 1.00 0.00 H new ATOM 0 HE2 MET A 53 8.565 12.539 -8.767 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.780 12.705 -10.057 1.00 0.00 H new ATOM 849 N ALA A 54 6.705 7.385 -8.163 1.00 0.00 N ATOM 850 CA ALA A 54 6.574 6.591 -6.947 1.00 0.00 C ATOM 851 C ALA A 54 7.214 5.219 -7.114 1.00 0.00 C ATOM 852 O ALA A 54 7.923 4.741 -6.229 1.00 0.00 O ATOM 853 CB ALA A 54 5.110 6.452 -6.559 1.00 0.00 C ATOM 0 H ALA A 54 5.818 7.676 -8.573 1.00 0.00 H new ATOM 0 HA ALA A 54 7.100 7.111 -6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.030 5.857 -5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.684 7.440 -6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.565 5.959 -7.364 1.00 0.00 H new ATOM 859 N THR A 55 6.959 4.588 -8.256 1.00 0.00 N ATOM 860 CA THR A 55 7.552 3.291 -8.563 1.00 0.00 C ATOM 861 C THR A 55 9.065 3.395 -8.698 1.00 0.00 C ATOM 862 O THR A 55 9.800 2.517 -8.246 1.00 0.00 O ATOM 863 CB THR A 55 6.970 2.698 -9.860 1.00 0.00 C ATOM 864 OG1 THR A 55 5.563 2.481 -9.701 1.00 0.00 O ATOM 865 CG2 THR A 55 7.648 1.377 -10.193 1.00 0.00 C ATOM 0 H THR A 55 6.346 4.954 -8.984 1.00 0.00 H new ATOM 0 HA THR A 55 7.310 2.630 -7.731 1.00 0.00 H new ATOM 0 HB THR A 55 7.146 3.401 -10.674 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.194 2.105 -10.528 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.225 0.972 -11.112 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.717 1.541 -10.327 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.489 0.671 -9.378 1.00 0.00 H new ATOM 873 N LEU A 56 9.526 4.473 -9.323 1.00 0.00 N ATOM 874 CA LEU A 56 10.955 4.699 -9.508 1.00 0.00 C ATOM 875 C LEU A 56 11.675 4.800 -8.170 1.00 0.00 C ATOM 876 O LEU A 56 12.725 4.190 -7.972 1.00 0.00 O ATOM 877 CB LEU A 56 11.187 5.969 -10.336 1.00 0.00 C ATOM 878 CG LEU A 56 10.860 5.843 -11.830 1.00 0.00 C ATOM 879 CD1 LEU A 56 10.926 7.212 -12.496 1.00 0.00 C ATOM 880 CD2 LEU A 56 11.836 4.877 -12.485 1.00 0.00 C ATOM 0 H LEU A 56 8.930 5.205 -9.710 1.00 0.00 H new ATOM 0 HA LEU A 56 11.366 3.845 -10.046 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.584 6.773 -9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.231 6.265 -10.233 1.00 0.00 H new ATOM 0 HG LEU A 56 9.849 5.454 -11.949 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.693 7.113 -13.556 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.204 7.880 -12.027 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.929 7.624 -12.382 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.603 4.788 -13.546 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.853 5.251 -12.367 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.752 3.899 -12.012 1.00 0.00 H new ATOM 892 N LEU A 57 11.104 5.574 -7.254 1.00 0.00 N ATOM 893 CA LEU A 57 11.710 5.789 -5.946 1.00 0.00 C ATOM 894 C LEU A 57 11.733 4.502 -5.131 1.00 0.00 C ATOM 895 O LEU A 57 12.688 4.235 -4.402 1.00 0.00 O ATOM 896 CB LEU A 57 10.957 6.889 -5.185 1.00 0.00 C ATOM 897 CG LEU A 57 11.095 8.299 -5.773 1.00 0.00 C ATOM 898 CD1 LEU A 57 10.162 9.259 -5.047 1.00 0.00 C ATOM 899 CD2 LEU A 57 12.540 8.760 -5.656 1.00 0.00 C ATOM 0 H LEU A 57 10.220 6.064 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 57 12.741 6.108 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.899 6.628 -5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.313 6.905 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 57 10.817 8.283 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.266 10.258 -5.471 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.132 8.922 -5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.419 9.285 -3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.637 9.762 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.833 8.775 -4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.186 8.074 -6.204 1.00 0.00 H new ATOM 911 N VAL A 58 10.676 3.708 -5.260 1.00 0.00 N ATOM 912 CA VAL A 58 10.590 2.428 -4.565 1.00 0.00 C ATOM 913 C VAL A 58 11.578 1.422 -5.139 1.00 0.00 C ATOM 914 O VAL A 58 12.223 0.680 -4.398 1.00 0.00 O ATOM 915 CB VAL A 58 9.168 1.839 -4.641 1.00 0.00 C ATOM 916 CG1 VAL A 58 9.160 0.405 -4.133 1.00 0.00 C ATOM 917 CG2 VAL A 58 8.195 2.692 -3.842 1.00 0.00 C ATOM 0 H VAL A 58 9.866 3.928 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 58 10.838 2.620 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 58 8.849 1.838 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.148 0.003 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.828 -0.201 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 58 9.498 0.384 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.196 2.261 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.510 2.723 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.181 3.704 -4.247 1.00 0.00 H new ATOM 927 N THR A 59 11.693 1.401 -6.463 1.00 0.00 N ATOM 928 CA THR A 59 12.550 0.438 -7.143 1.00 0.00 C ATOM 929 C THR A 59 14.023 0.747 -6.903 1.00 0.00 C ATOM 930 O THR A 59 14.813 -0.149 -6.606 1.00 0.00 O ATOM 931 CB THR A 59 12.282 0.414 -8.659 1.00 0.00 C ATOM 932 OG1 THR A 59 10.934 -0.012 -8.902 1.00 0.00 O ATOM 933 CG2 THR A 59 13.243 -0.537 -9.355 1.00 0.00 C ATOM 0 H THR A 59 11.202 2.042 -7.087 1.00 0.00 H new ATOM 0 HA THR A 59 12.314 -0.541 -6.727 1.00 0.00 H new ATOM 0 HB THR A 59 12.430 1.419 -9.055 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.319 0.728 -8.716 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.039 -0.541 -10.426 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.268 -0.209 -9.182 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.112 -1.543 -8.957 1.00 0.00 H new ATOM 941 N TYR A 60 14.385 2.017 -7.035 1.00 0.00 N ATOM 942 CA TYR A 60 15.786 2.420 -7.029 1.00 0.00 C ATOM 943 C TYR A 60 16.310 2.571 -5.606 1.00 0.00 C ATOM 944 O TYR A 60 17.494 2.361 -5.345 1.00 0.00 O ATOM 945 CB TYR A 60 15.971 3.730 -7.797 1.00 0.00 C ATOM 946 CG TYR A 60 15.970 3.563 -9.301 1.00 0.00 C ATOM 947 CD1 TYR A 60 14.816 3.199 -9.978 1.00 0.00 C ATOM 948 CD2 TYR A 60 17.125 3.774 -10.040 1.00 0.00 C ATOM 949 CE1 TYR A 60 14.809 3.044 -11.350 1.00 0.00 C ATOM 950 CE2 TYR A 60 17.130 3.624 -11.414 1.00 0.00 C ATOM 951 CZ TYR A 60 15.971 3.259 -12.065 1.00 0.00 C ATOM 952 OH TYR A 60 15.971 3.109 -13.433 1.00 0.00 O ATOM 0 H TYR A 60 13.726 2.787 -7.148 1.00 0.00 H new ATOM 0 HA TYR A 60 16.359 1.636 -7.523 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.175 4.420 -7.517 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.912 4.189 -7.493 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.905 3.034 -9.422 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.035 4.060 -9.533 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.902 2.757 -11.860 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.038 3.792 -11.975 1.00 0.00 H new ATOM 0 HH TYR A 60 16.867 3.298 -13.783 1.00 0.00 H new ATOM 962 N TYR A 61 15.421 2.936 -4.690 1.00 0.00 N ATOM 963 CA TYR A 61 15.807 3.201 -3.309 1.00 0.00 C ATOM 964 C TYR A 61 15.098 2.256 -2.348 1.00 0.00 C ATOM 965 O TYR A 61 15.740 1.519 -1.599 1.00 0.00 O ATOM 966 CB TYR A 61 15.505 4.654 -2.937 1.00 0.00 C ATOM 967 CG TYR A 61 16.287 5.669 -3.741 1.00 0.00 C ATOM 968 CD1 TYR A 61 15.795 6.159 -4.942 1.00 0.00 C ATOM 969 CD2 TYR A 61 17.515 6.136 -3.296 1.00 0.00 C ATOM 970 CE1 TYR A 61 16.505 7.085 -5.681 1.00 0.00 C ATOM 971 CE2 TYR A 61 18.234 7.062 -4.026 1.00 0.00 C ATOM 972 CZ TYR A 61 17.725 7.535 -5.218 1.00 0.00 C ATOM 973 OH TYR A 61 18.436 8.459 -5.949 1.00 0.00 O ATOM 0 H TYR A 61 14.426 3.055 -4.879 1.00 0.00 H new ATOM 0 HA TYR A 61 16.880 3.030 -3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.440 4.840 -3.074 1.00 0.00 H new ATOM 0 HB3 TYR A 61 15.720 4.800 -1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 61 14.840 5.810 -5.306 1.00 0.00 H new ATOM 0 HD2 TYR A 61 17.916 5.769 -2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 61 16.108 7.455 -6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 61 19.189 7.414 -3.666 1.00 0.00 H new ATOM 0 HH TYR A 61 18.970 9.014 -5.343 1.00 0.00 H new ATOM 983 N GLY A 62 13.770 2.283 -2.372 1.00 0.00 N ATOM 984 CA GLY A 62 12.970 1.447 -1.484 1.00 0.00 C ATOM 985 C GLY A 62 11.702 2.167 -1.044 1.00 0.00 C ATOM 986 O GLY A 62 11.569 3.377 -1.227 1.00 0.00 O ATOM 0 H GLY A 62 13.224 2.876 -2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.707 0.520 -1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.559 1.174 -0.608 1.00 0.00 H new ATOM 990 N GLU A 63 10.774 1.417 -0.460 1.00 0.00 N ATOM 991 CA GLU A 63 9.487 1.969 -0.053 1.00 0.00 C ATOM 992 C GLU A 63 9.658 3.012 1.044 1.00 0.00 C ATOM 993 O GLU A 63 9.086 4.099 0.974 1.00 0.00 O ATOM 994 CB GLU A 63 8.553 0.854 0.423 1.00 0.00 C ATOM 995 CG GLU A 63 8.048 -0.058 -0.686 1.00 0.00 C ATOM 996 CD GLU A 63 7.251 -1.205 -0.129 1.00 0.00 C ATOM 997 OE1 GLU A 63 7.183 -1.330 1.070 1.00 0.00 O ATOM 998 OE2 GLU A 63 6.617 -1.890 -0.896 1.00 0.00 O ATOM 0 H GLU A 63 10.889 0.424 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 63 9.043 2.457 -0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.076 0.250 1.164 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.697 1.304 0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.430 0.515 -1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.893 -0.443 -1.257 1.00 0.00 H new ATOM 1005 N GLU A 64 10.450 2.674 2.057 1.00 0.00 N ATOM 1006 CA GLU A 64 10.680 3.573 3.181 1.00 0.00 C ATOM 1007 C GLU A 64 11.522 4.772 2.765 1.00 0.00 C ATOM 1008 O GLU A 64 11.337 5.879 3.272 1.00 0.00 O ATOM 1009 CB GLU A 64 11.360 2.827 4.331 1.00 0.00 C ATOM 1010 CG GLU A 64 10.473 1.806 5.031 1.00 0.00 C ATOM 1011 CD GLU A 64 11.241 1.036 6.068 1.00 0.00 C ATOM 1012 OE1 GLU A 64 12.424 1.250 6.185 1.00 0.00 O ATOM 1013 OE2 GLU A 64 10.626 0.316 6.821 1.00 0.00 O ATOM 0 H GLU A 64 10.943 1.783 2.122 1.00 0.00 H new ATOM 0 HA GLU A 64 9.711 3.939 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.244 2.319 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.705 3.554 5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.631 2.314 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.058 1.116 4.296 1.00 0.00 H new ATOM 1020 N TYR A 65 12.446 4.547 1.837 1.00 0.00 N ATOM 1021 CA TYR A 65 13.326 5.606 1.359 1.00 0.00 C ATOM 1022 C TYR A 65 12.611 6.508 0.363 1.00 0.00 C ATOM 1023 O TYR A 65 12.943 7.687 0.228 1.00 0.00 O ATOM 1024 CB TYR A 65 14.582 5.010 0.720 1.00 0.00 C ATOM 1025 CG TYR A 65 15.498 4.313 1.701 1.00 0.00 C ATOM 1026 CD1 TYR A 65 16.420 5.032 2.447 1.00 0.00 C ATOM 1027 CD2 TYR A 65 15.440 2.938 1.878 1.00 0.00 C ATOM 1028 CE1 TYR A 65 17.260 4.400 3.345 1.00 0.00 C ATOM 1029 CE2 TYR A 65 16.274 2.296 2.773 1.00 0.00 C ATOM 1030 CZ TYR A 65 17.183 3.032 3.505 1.00 0.00 C ATOM 1031 OH TYR A 65 18.018 2.398 4.398 1.00 0.00 O ATOM 0 H TYR A 65 12.605 3.639 1.401 1.00 0.00 H new ATOM 0 HA TYR A 65 13.618 6.210 2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.283 4.299 -0.051 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.137 5.805 0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 65 16.483 6.103 2.324 1.00 0.00 H new ATOM 0 HD2 TYR A 65 14.730 2.359 1.306 1.00 0.00 H new ATOM 0 HE1 TYR A 65 17.973 4.974 3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 65 16.215 1.225 2.899 1.00 0.00 H new ATOM 0 HH TYR A 65 17.835 1.435 4.391 1.00 0.00 H new ATOM 1041 N ALA A 66 11.628 5.950 -0.334 1.00 0.00 N ATOM 1042 CA ALA A 66 10.830 6.717 -1.284 1.00 0.00 C ATOM 1043 C ALA A 66 10.016 7.792 -0.576 1.00 0.00 C ATOM 1044 O ALA A 66 9.842 8.895 -1.097 1.00 0.00 O ATOM 1045 CB ALA A 66 9.918 5.792 -2.078 1.00 0.00 C ATOM 0 H ALA A 66 11.364 4.968 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 66 11.511 7.214 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.329 6.379 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.521 5.067 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.250 5.266 -1.396 1.00 0.00 H new ATOM 1051 N VAL A 67 9.518 7.466 0.611 1.00 0.00 N ATOM 1052 CA VAL A 67 8.769 8.421 1.417 1.00 0.00 C ATOM 1053 C VAL A 67 9.675 9.526 1.946 1.00 0.00 C ATOM 1054 O VAL A 67 9.291 10.695 1.978 1.00 0.00 O ATOM 1055 CB VAL A 67 8.068 7.734 2.604 1.00 0.00 C ATOM 1056 CG1 VAL A 67 7.460 8.770 3.537 1.00 0.00 C ATOM 1057 CG2 VAL A 67 6.997 6.774 2.108 1.00 0.00 C ATOM 0 H VAL A 67 9.620 6.545 1.037 1.00 0.00 H new ATOM 0 HA VAL A 67 8.013 8.856 0.764 1.00 0.00 H new ATOM 0 HB VAL A 67 8.813 7.164 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.969 8.266 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.246 9.421 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.729 9.366 2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.512 6.298 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.255 7.324 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.455 6.011 1.478 1.00 0.00 H new ATOM 1067 N GLN A 68 10.880 9.148 2.361 1.00 0.00 N ATOM 1068 CA GLN A 68 11.857 10.111 2.854 1.00 0.00 C ATOM 1069 C GLN A 68 12.293 11.067 1.751 1.00 0.00 C ATOM 1070 O GLN A 68 12.451 12.266 1.981 1.00 0.00 O ATOM 1071 CB GLN A 68 13.080 9.389 3.424 1.00 0.00 C ATOM 1072 CG GLN A 68 12.818 8.656 4.728 1.00 0.00 C ATOM 1073 CD GLN A 68 14.026 7.874 5.206 1.00 0.00 C ATOM 1074 OE1 GLN A 68 15.065 7.841 4.541 1.00 0.00 O ATOM 1075 NE2 GLN A 68 13.897 7.235 6.364 1.00 0.00 N ATOM 0 H GLN A 68 11.203 8.180 2.365 1.00 0.00 H new ATOM 0 HA GLN A 68 11.381 10.690 3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.443 8.675 2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.876 10.116 3.583 1.00 0.00 H new ATOM 0 HG2 GLN A 68 12.528 9.375 5.494 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.977 7.975 4.596 1.00 0.00 H new ATOM 0 HE21 GLN A 68 13.020 7.289 6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 68 14.675 6.690 6.735 1.00 0.00 H new ATOM 1084 N LEU A 69 12.486 10.530 0.550 1.00 0.00 N ATOM 1085 CA LEU A 69 12.884 11.338 -0.596 1.00 0.00 C ATOM 1086 C LEU A 69 11.766 12.281 -1.020 1.00 0.00 C ATOM 1087 O LEU A 69 11.996 13.467 -1.255 1.00 0.00 O ATOM 1088 CB LEU A 69 13.293 10.434 -1.765 1.00 0.00 C ATOM 1089 CG LEU A 69 14.611 9.674 -1.573 1.00 0.00 C ATOM 1090 CD1 LEU A 69 14.785 8.642 -2.680 1.00 0.00 C ATOM 1091 CD2 LEU A 69 15.770 10.659 -1.566 1.00 0.00 C ATOM 0 H LEU A 69 12.373 9.537 0.346 1.00 0.00 H new ATOM 0 HA LEU A 69 13.740 11.945 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.497 9.710 -1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.372 11.044 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 69 14.592 9.149 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.724 8.108 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.956 7.934 -2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.799 9.145 -3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.706 10.118 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.796 11.197 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.639 11.369 -0.750 1.00 0.00 H new ATOM 1103 N THR A 70 10.553 11.747 -1.117 1.00 0.00 N ATOM 1104 CA THR A 70 9.388 12.549 -1.470 1.00 0.00 C ATOM 1105 C THR A 70 9.151 13.655 -0.449 1.00 0.00 C ATOM 1106 O THR A 70 8.919 14.808 -0.812 1.00 0.00 O ATOM 1107 CB THR A 70 8.118 11.685 -1.578 1.00 0.00 C ATOM 1108 OG1 THR A 70 8.274 10.734 -2.641 1.00 0.00 O ATOM 1109 CG2 THR A 70 6.903 12.556 -1.858 1.00 0.00 C ATOM 0 H THR A 70 10.351 10.760 -0.956 1.00 0.00 H new ATOM 0 HA THR A 70 9.597 12.994 -2.443 1.00 0.00 H new ATOM 0 HB THR A 70 7.969 11.164 -0.632 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.796 9.969 -2.321 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.015 11.929 -1.931 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.775 13.273 -1.047 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.047 13.091 -2.797 1.00 0.00 H new ATOM 1117 N LEU A 71 9.212 13.297 0.829 1.00 0.00 N ATOM 1118 CA LEU A 71 9.006 14.259 1.905 1.00 0.00 C ATOM 1119 C LEU A 71 10.061 15.356 1.872 1.00 0.00 C ATOM 1120 O LEU A 71 9.758 16.528 2.098 1.00 0.00 O ATOM 1121 CB LEU A 71 9.020 13.545 3.263 1.00 0.00 C ATOM 1122 CG LEU A 71 8.753 14.445 4.475 1.00 0.00 C ATOM 1123 CD1 LEU A 71 7.367 15.069 4.369 1.00 0.00 C ATOM 1124 CD2 LEU A 71 8.879 13.629 5.753 1.00 0.00 C ATOM 0 H LEU A 71 9.403 12.346 1.145 1.00 0.00 H new ATOM 0 HA LEU A 71 8.032 14.726 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.272 12.753 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.990 13.065 3.393 1.00 0.00 H new ATOM 0 HG LEU A 71 9.488 15.249 4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.188 15.706 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.306 15.667 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.615 14.281 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.689 14.270 6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.153 12.816 5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.885 13.216 5.823 1.00 0.00 H new ATOM 1136 N GLN A 72 11.300 14.970 1.591 1.00 0.00 N ATOM 1137 CA GLN A 72 12.402 15.923 1.522 1.00 0.00 C ATOM 1138 C GLN A 72 12.195 16.924 0.392 1.00 0.00 C ATOM 1139 O GLN A 72 12.479 18.112 0.543 1.00 0.00 O ATOM 1140 CB GLN A 72 13.733 15.191 1.327 1.00 0.00 C ATOM 1141 CG GLN A 72 14.951 16.097 1.348 1.00 0.00 C ATOM 1142 CD GLN A 72 15.137 16.785 2.687 1.00 0.00 C ATOM 1143 OE1 GLN A 72 15.040 16.155 3.744 1.00 0.00 O ATOM 1144 NE2 GLN A 72 15.401 18.086 2.652 1.00 0.00 N ATOM 0 H GLN A 72 11.567 14.003 1.407 1.00 0.00 H new ATOM 0 HA GLN A 72 12.428 16.468 2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.840 14.440 2.110 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.706 14.659 0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.840 15.511 1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.854 16.850 0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.473 18.568 1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.532 18.603 3.521 1.00 0.00 H new ATOM 1153 N VAL A 73 11.700 16.436 -0.740 1.00 0.00 N ATOM 1154 CA VAL A 73 11.456 17.287 -1.899 1.00 0.00 C ATOM 1155 C VAL A 73 10.246 18.186 -1.677 1.00 0.00 C ATOM 1156 O VAL A 73 10.214 19.325 -2.139 1.00 0.00 O ATOM 1157 CB VAL A 73 11.237 16.454 -3.175 1.00 0.00 C ATOM 1158 CG1 VAL A 73 10.796 17.348 -4.325 1.00 0.00 C ATOM 1159 CG2 VAL A 73 12.507 15.701 -3.544 1.00 0.00 C ATOM 0 H VAL A 73 11.460 15.455 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 73 12.345 17.905 -2.028 1.00 0.00 H new ATOM 0 HB VAL A 73 10.449 15.727 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.646 16.743 -5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.862 17.845 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.564 18.097 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.334 15.117 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.314 16.413 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.784 15.033 -2.728 1.00 0.00 H new ATOM 1169 N LEU A 74 9.251 17.664 -0.966 1.00 0.00 N ATOM 1170 CA LEU A 74 8.076 18.449 -0.605 1.00 0.00 C ATOM 1171 C LEU A 74 8.459 19.661 0.233 1.00 0.00 C ATOM 1172 O LEU A 74 7.836 20.718 0.133 1.00 0.00 O ATOM 1173 CB LEU A 74 7.068 17.573 0.152 1.00 0.00 C ATOM 1174 CG LEU A 74 6.324 16.543 -0.706 1.00 0.00 C ATOM 1175 CD1 LEU A 74 5.517 15.607 0.184 1.00 0.00 C ATOM 1176 CD2 LEU A 74 5.418 17.261 -1.695 1.00 0.00 C ATOM 0 H LEU A 74 9.235 16.701 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 74 7.614 18.810 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.594 17.047 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.334 18.222 0.630 1.00 0.00 H new ATOM 0 HG LEU A 74 7.046 15.946 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.992 14.879 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.188 15.086 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.792 16.185 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.890 16.527 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.695 17.869 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.019 17.902 -2.340 1.00 0.00 H new ATOM 1188 N ARG A 75 9.487 19.503 1.059 1.00 0.00 N ATOM 1189 CA ARG A 75 10.058 20.624 1.796 1.00 0.00 C ATOM 1190 C ARG A 75 10.674 21.647 0.852 1.00 0.00 C ATOM 1191 O ARG A 75 10.558 22.855 1.067 1.00 0.00 O ATOM 1192 CB ARG A 75 11.055 20.169 2.852 1.00 0.00 C ATOM 1193 CG ARG A 75 11.665 21.289 3.680 1.00 0.00 C ATOM 1194 CD ARG A 75 12.583 20.826 4.753 1.00 0.00 C ATOM 1195 NE ARG A 75 13.211 21.896 5.511 1.00 0.00 N ATOM 1196 CZ ARG A 75 14.149 21.713 6.460 1.00 0.00 C ATOM 1197 NH1 ARG A 75 14.545 20.505 6.797 1.00 0.00 N ATOM 1198 NH2 ARG A 75 14.645 22.780 7.062 1.00 0.00 N ATOM 0 H ARG A 75 9.943 18.608 1.235 1.00 0.00 H new ATOM 0 HA ARG A 75 9.238 21.110 2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.557 19.470 3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.859 19.621 2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 75 12.210 21.960 3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.861 21.870 4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 75 12.026 20.189 5.440 1.00 0.00 H new ATOM 0 HD3 ARG A 75 13.362 20.208 4.306 1.00 0.00 H new ATOM 0 HE ARG A 75 12.921 22.853 5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 75 14.141 19.689 6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 75 15.256 20.384 7.518 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.316 23.710 6.804 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.357 22.673 7.785 1.00 0.00 H new ATOM 1212 N ALA A 76 11.330 21.160 -0.196 1.00 0.00 N ATOM 1213 CA ALA A 76 11.985 22.032 -1.163 1.00 0.00 C ATOM 1214 C ALA A 76 10.969 22.881 -1.916 1.00 0.00 C ATOM 1215 O ALA A 76 11.224 24.046 -2.221 1.00 0.00 O ATOM 1216 CB ALA A 76 12.819 21.211 -2.136 1.00 0.00 C ATOM 0 H ALA A 76 11.422 20.164 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 76 12.645 22.706 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.302 21.876 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.579 20.657 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.174 20.512 -2.668 1.00 0.00 H new ATOM 1222 N ILE A 77 9.816 22.292 -2.212 1.00 0.00 N ATOM 1223 CA ILE A 77 8.769 22.985 -2.953 1.00 0.00 C ATOM 1224 C ILE A 77 7.668 23.476 -2.020 1.00 0.00 C ATOM 1225 O ILE A 77 6.637 23.975 -2.471 1.00 0.00 O ATOM 1226 CB ILE A 77 8.148 22.082 -4.034 1.00 0.00 C ATOM 1227 CG1 ILE A 77 7.492 20.856 -3.394 1.00 0.00 C ATOM 1228 CG2 ILE A 77 9.204 21.660 -5.044 1.00 0.00 C ATOM 1229 CD1 ILE A 77 6.624 20.062 -4.343 1.00 0.00 C ATOM 0 H ILE A 77 9.582 21.334 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 77 9.240 23.841 -3.437 1.00 0.00 H new ATOM 0 HB ILE A 77 7.378 22.648 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.271 20.204 -2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.886 21.180 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.749 21.022 -5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.626 22.545 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.995 21.110 -4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.194 19.210 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.822 20.697 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.228 19.706 -5.177 1.00 0.00 H new ATOM 1241 N ASN A 78 7.894 23.332 -0.720 1.00 0.00 N ATOM 1242 CA ASN A 78 7.118 24.059 0.278 1.00 0.00 C ATOM 1243 C ASN A 78 5.653 23.645 0.244 1.00 0.00 C ATOM 1244 O ASN A 78 4.758 24.491 0.278 1.00 0.00 O ATOM 1245 CB ASN A 78 7.244 25.560 0.094 1.00 0.00 C ATOM 1246 CG ASN A 78 6.858 26.354 1.310 1.00 0.00 C ATOM 1247 OD1 ASN A 78 6.965 25.878 2.447 1.00 0.00 O ATOM 1248 ND2 ASN A 78 6.334 27.530 1.075 1.00 0.00 N ATOM 0 H ASN A 78 8.609 22.718 -0.331 1.00 0.00 H new ATOM 0 HA ASN A 78 7.527 23.801 1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.273 25.799 -0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.618 25.868 -0.743 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.991 28.099 1.849 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.269 27.877 0.118 1.00 0.00 H new ATOM 1255 N GLN A 79 5.412 22.340 0.177 1.00 0.00 N ATOM 1256 CA GLN A 79 4.060 21.804 0.282 1.00 0.00 C ATOM 1257 C GLN A 79 3.826 21.165 1.644 1.00 0.00 C ATOM 1258 O GLN A 79 4.232 20.027 1.884 1.00 0.00 O ATOM 1259 CB GLN A 79 3.805 20.776 -0.824 1.00 0.00 C ATOM 1260 CG GLN A 79 4.023 21.307 -2.230 1.00 0.00 C ATOM 1261 CD GLN A 79 3.138 22.498 -2.543 1.00 0.00 C ATOM 1262 OE1 GLN A 79 1.909 22.390 -2.557 1.00 0.00 O ATOM 1263 NE2 GLN A 79 3.759 23.644 -2.799 1.00 0.00 N ATOM 0 H GLN A 79 6.136 21.633 0.050 1.00 0.00 H new ATOM 0 HA GLN A 79 3.363 22.634 0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.460 19.919 -0.666 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.780 20.414 -0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.068 21.593 -2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.826 20.513 -2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.778 23.688 -2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.217 24.480 -3.018 1.00 0.00 H new ATOM 1272 N ARG A 80 3.168 21.901 2.533 1.00 0.00 N ATOM 1273 CA ARG A 80 2.911 21.421 3.885 1.00 0.00 C ATOM 1274 C ARG A 80 1.836 20.342 3.892 1.00 0.00 C ATOM 1275 O ARG A 80 1.867 19.427 4.714 1.00 0.00 O ATOM 1276 CB ARG A 80 2.568 22.555 4.841 1.00 0.00 C ATOM 1277 CG ARG A 80 3.736 23.457 5.207 1.00 0.00 C ATOM 1278 CD ARG A 80 3.386 24.566 6.132 1.00 0.00 C ATOM 1279 NE ARG A 80 4.512 25.390 6.537 1.00 0.00 N ATOM 1280 CZ ARG A 80 4.420 26.481 7.323 1.00 0.00 C ATOM 1281 NH1 ARG A 80 3.253 26.904 7.759 1.00 0.00 N ATOM 1282 NH2 ARG A 80 5.530 27.130 7.626 1.00 0.00 N ATOM 0 H ARG A 80 2.803 22.834 2.341 1.00 0.00 H new ATOM 0 HA ARG A 80 3.836 20.973 4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.783 23.164 4.393 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.157 22.128 5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.518 22.851 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.154 23.880 4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.641 25.201 5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.920 24.146 7.023 1.00 0.00 H new ATOM 0 HE ARG A 80 5.438 25.124 6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.401 26.405 7.503 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.200 27.731 8.353 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.427 26.802 7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.490 27.959 8.219 1.00 0.00 H new ATOM 1296 N LEU A 81 0.885 20.455 2.971 1.00 0.00 N ATOM 1297 CA LEU A 81 -0.230 19.519 2.902 1.00 0.00 C ATOM 1298 C LEU A 81 0.262 18.089 2.715 1.00 0.00 C ATOM 1299 O LEU A 81 -0.005 17.217 3.542 1.00 0.00 O ATOM 1300 CB LEU A 81 -1.179 19.909 1.762 1.00 0.00 C ATOM 1301 CG LEU A 81 -2.337 18.933 1.514 1.00 0.00 C ATOM 1302 CD1 LEU A 81 -3.237 18.868 2.741 1.00 0.00 C ATOM 1303 CD2 LEU A 81 -3.125 19.378 0.291 1.00 0.00 C ATOM 0 H LEU A 81 0.865 21.187 2.261 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.771 19.567 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.594 20.894 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.599 20.001 0.843 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.938 17.935 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.056 18.173 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.658 18.526 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.642 19.859 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.947 18.684 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.524 20.378 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.469 19.391 -0.580 1.00 0.00 H new ATOM 1315 N LEU A 82 0.983 17.855 1.624 1.00 0.00 N ATOM 1316 CA LEU A 82 1.425 16.510 1.272 1.00 0.00 C ATOM 1317 C LEU A 82 2.434 15.980 2.283 1.00 0.00 C ATOM 1318 O LEU A 82 2.526 14.773 2.508 1.00 0.00 O ATOM 1319 CB LEU A 82 2.028 16.503 -0.138 1.00 0.00 C ATOM 1320 CG LEU A 82 1.034 16.775 -1.274 1.00 0.00 C ATOM 1321 CD1 LEU A 82 1.773 16.870 -2.603 1.00 0.00 C ATOM 1322 CD2 LEU A 82 -0.008 15.668 -1.315 1.00 0.00 C ATOM 0 H LEU A 82 1.274 18.579 0.968 1.00 0.00 H new ATOM 0 HA LEU A 82 0.556 15.852 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.819 17.252 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.497 15.534 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 82 0.529 17.725 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.059 17.063 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.498 17.683 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.292 15.932 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.714 15.862 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.485 14.711 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.543 15.636 -0.366 1.00 0.00 H new ATOM 1334 N ALA A 83 3.191 16.889 2.889 1.00 0.00 N ATOM 1335 CA ALA A 83 4.110 16.528 3.961 1.00 0.00 C ATOM 1336 C ALA A 83 3.362 15.958 5.159 1.00 0.00 C ATOM 1337 O ALA A 83 3.790 14.970 5.757 1.00 0.00 O ATOM 1338 CB ALA A 83 4.940 17.735 4.376 1.00 0.00 C ATOM 0 H ALA A 83 3.186 17.882 2.655 1.00 0.00 H new ATOM 0 HA ALA A 83 4.780 15.754 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 83 5.622 17.450 5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.514 18.093 3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.279 18.528 4.727 1.00 0.00 H new ATOM 1344 N GLU A 84 2.244 16.585 5.506 1.00 0.00 N ATOM 1345 CA GLU A 84 1.397 16.098 6.587 1.00 0.00 C ATOM 1346 C GLU A 84 0.688 14.808 6.195 1.00 0.00 C ATOM 1347 O GLU A 84 0.399 13.965 7.043 1.00 0.00 O ATOM 1348 CB GLU A 84 0.370 17.162 6.983 1.00 0.00 C ATOM 1349 CG GLU A 84 0.956 18.359 7.718 1.00 0.00 C ATOM 1350 CD GLU A 84 -0.084 19.419 7.951 1.00 0.00 C ATOM 1351 OE1 GLU A 84 -1.189 19.251 7.495 1.00 0.00 O ATOM 1352 OE2 GLU A 84 0.192 20.343 8.680 1.00 0.00 O ATOM 0 H GLU A 84 1.903 17.433 5.053 1.00 0.00 H new ATOM 0 HA GLU A 84 2.038 15.887 7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.135 17.515 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.389 16.700 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.369 18.035 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.780 18.776 7.139 1.00 0.00 H new ATOM 1359 N GLU A 85 0.412 14.660 4.903 1.00 0.00 N ATOM 1360 CA GLU A 85 -0.238 13.460 4.392 1.00 0.00 C ATOM 1361 C GLU A 85 0.696 12.259 4.453 1.00 0.00 C ATOM 1362 O GLU A 85 0.254 11.126 4.652 1.00 0.00 O ATOM 1363 CB GLU A 85 -0.715 13.681 2.955 1.00 0.00 C ATOM 1364 CG GLU A 85 -1.912 14.613 2.826 1.00 0.00 C ATOM 1365 CD GLU A 85 -3.082 14.113 3.626 1.00 0.00 C ATOM 1366 OE1 GLU A 85 -3.446 12.972 3.463 1.00 0.00 O ATOM 1367 OE2 GLU A 85 -3.543 14.833 4.479 1.00 0.00 O ATOM 0 H GLU A 85 0.629 15.357 4.191 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.101 13.253 5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.110 14.086 2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.972 12.716 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.637 15.611 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.196 14.700 1.777 1.00 0.00 H new ATOM 1374 N LEU A 86 1.989 12.512 4.284 1.00 0.00 N ATOM 1375 CA LEU A 86 3.002 11.479 4.466 1.00 0.00 C ATOM 1376 C LEU A 86 3.214 11.169 5.942 1.00 0.00 C ATOM 1377 O LEU A 86 3.535 10.039 6.309 1.00 0.00 O ATOM 1378 CB LEU A 86 4.323 11.911 3.816 1.00 0.00 C ATOM 1379 CG LEU A 86 4.314 11.950 2.282 1.00 0.00 C ATOM 1380 CD1 LEU A 86 5.653 12.458 1.765 1.00 0.00 C ATOM 1381 CD2 LEU A 86 4.018 10.560 1.739 1.00 0.00 C ATOM 0 H LEU A 86 2.361 13.425 4.021 1.00 0.00 H new ATOM 0 HA LEU A 86 2.649 10.570 3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.585 12.902 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.109 11.230 4.142 1.00 0.00 H new ATOM 0 HG LEU A 86 3.536 12.632 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.637 12.482 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.833 13.463 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.449 11.793 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.012 10.589 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.786 9.865 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.044 10.229 2.099 1.00 0.00 H new ATOM 1393 N HIS A 87 3.032 12.180 6.786 1.00 0.00 N ATOM 1394 CA HIS A 87 3.023 11.981 8.229 1.00 0.00 C ATOM 1395 C HIS A 87 1.791 11.201 8.670 1.00 0.00 C ATOM 1396 O HIS A 87 1.837 10.442 9.638 1.00 0.00 O ATOM 1397 CB HIS A 87 3.083 13.325 8.961 1.00 0.00 C ATOM 1398 CG HIS A 87 4.377 14.054 8.775 1.00 0.00 C ATOM 1399 ND1 HIS A 87 4.534 15.385 9.101 1.00 0.00 N ATOM 1400 CD2 HIS A 87 5.573 13.639 8.297 1.00 0.00 C ATOM 1401 CE1 HIS A 87 5.773 15.757 8.831 1.00 0.00 C ATOM 1402 NE2 HIS A 87 6.423 14.718 8.342 1.00 0.00 N ATOM 0 H HIS A 87 2.889 13.147 6.494 1.00 0.00 H new ATOM 0 HA HIS A 87 3.908 11.399 8.488 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.267 13.956 8.610 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.921 13.156 10.026 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.808 15.987 9.489 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.814 12.646 7.946 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.184 16.744 8.985 1.00 0.00 H new ATOM 1410 N ARG A 88 0.688 11.395 7.955 1.00 0.00 N ATOM 1411 CA ARG A 88 -0.519 10.607 8.178 1.00 0.00 C ATOM 1412 C ARG A 88 -0.368 9.199 7.617 1.00 0.00 C ATOM 1413 O ARG A 88 -0.936 8.244 8.149 1.00 0.00 O ATOM 1414 CB ARG A 88 -1.762 11.294 7.633 1.00 0.00 C ATOM 1415 CG ARG A 88 -2.219 12.511 8.422 1.00 0.00 C ATOM 1416 CD ARG A 88 -3.281 13.308 7.759 1.00 0.00 C ATOM 1417 NE ARG A 88 -3.858 14.354 8.589 1.00 0.00 N ATOM 1418 CZ ARG A 88 -4.587 15.387 8.122 1.00 0.00 C ATOM 1419 NH1 ARG A 88 -4.799 15.539 6.834 1.00 0.00 N ATOM 1420 NH2 ARG A 88 -5.063 16.258 8.994 1.00 0.00 N ATOM 0 H ARG A 88 0.605 12.092 7.215 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.653 10.524 9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.570 11.598 6.604 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.577 10.570 7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.583 12.182 9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.359 13.155 8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.868 13.763 6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.077 12.635 7.440 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.700 14.302 9.595 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.409 14.869 6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.353 16.327 6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.875 16.138 9.989 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -5.618 17.051 8.672 1.00 0.00 H new ATOM 1434 N ALA A 89 0.398 9.075 6.540 1.00 0.00 N ATOM 1435 CA ALA A 89 0.720 7.771 5.974 1.00 0.00 C ATOM 1436 C ALA A 89 1.515 6.924 6.960 1.00 0.00 C ATOM 1437 O ALA A 89 1.280 5.723 7.092 1.00 0.00 O ATOM 1438 CB ALA A 89 1.488 7.933 4.670 1.00 0.00 C ATOM 0 H ALA A 89 0.809 9.864 6.040 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.216 7.253 5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.721 6.950 4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.880 8.489 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.414 8.476 4.858 1.00 0.00 H new ATOM 1444 N ALA A 90 2.458 7.557 7.649 1.00 0.00 N ATOM 1445 CA ALA A 90 3.241 6.880 8.676 1.00 0.00 C ATOM 1446 C ALA A 90 2.350 6.367 9.799 1.00 0.00 C ATOM 1447 O ALA A 90 2.608 5.311 10.377 1.00 0.00 O ATOM 1448 CB ALA A 90 4.312 7.811 9.227 1.00 0.00 C ATOM 0 H ALA A 90 2.699 8.539 7.515 1.00 0.00 H new ATOM 0 HA ALA A 90 3.728 6.020 8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.888 7.291 9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.977 8.119 8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.840 8.691 9.664 1.00 0.00 H new ATOM 1454 N ILE A 91 1.300 7.122 10.106 1.00 0.00 N ATOM 1455 CA ILE A 91 0.344 6.723 11.132 1.00 0.00 C ATOM 1456 C ILE A 91 -0.449 5.496 10.701 1.00 0.00 C ATOM 1457 O ILE A 91 -0.634 4.560 11.478 1.00 0.00 O ATOM 1458 CB ILE A 91 -0.635 7.864 11.466 1.00 0.00 C ATOM 1459 CG1 ILE A 91 0.102 9.017 12.150 1.00 0.00 C ATOM 1460 CG2 ILE A 91 -1.767 7.354 12.345 1.00 0.00 C ATOM 1461 CD1 ILE A 91 -0.716 10.284 12.262 1.00 0.00 C ATOM 0 H ILE A 91 1.090 8.014 9.658 1.00 0.00 H new ATOM 0 HA ILE A 91 0.923 6.481 12.023 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.065 8.235 10.536 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.404 8.701 13.149 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.015 9.233 11.594 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.449 8.173 12.571 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.308 6.566 11.821 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.356 6.957 13.273 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.126 11.055 12.758 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.996 10.626 11.266 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.616 10.086 12.844 1.00 0.00 H new ATOM 1473 N GLN A 92 -0.915 5.507 9.457 1.00 0.00 N ATOM 1474 CA GLN A 92 -1.706 4.403 8.926 1.00 0.00 C ATOM 1475 C GLN A 92 -0.851 3.158 8.727 1.00 0.00 C ATOM 1476 O GLN A 92 -1.319 2.036 8.916 1.00 0.00 O ATOM 1477 CB GLN A 92 -2.357 4.801 7.598 1.00 0.00 C ATOM 1478 CG GLN A 92 -3.454 5.844 7.730 1.00 0.00 C ATOM 1479 CD GLN A 92 -4.060 6.219 6.391 1.00 0.00 C ATOM 1480 OE1 GLN A 92 -3.772 5.595 5.366 1.00 0.00 O ATOM 1481 NE2 GLN A 92 -4.903 7.245 6.391 1.00 0.00 N ATOM 0 H GLN A 92 -0.758 6.269 8.797 1.00 0.00 H new ATOM 0 HA GLN A 92 -2.485 4.174 9.653 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.586 5.183 6.929 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.773 3.910 7.129 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.237 5.463 8.386 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -3.047 6.737 8.204 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.113 7.733 7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -5.341 7.545 5.520 1.00 0.00 H new ATOM 1490 N LEU A 93 0.404 3.364 8.343 1.00 0.00 N ATOM 1491 CA LEU A 93 1.317 2.257 8.083 1.00 0.00 C ATOM 1492 C LEU A 93 1.888 1.697 9.380 1.00 0.00 C ATOM 1493 O LEU A 93 1.236 0.940 10.045 1.00 0.00 O ATOM 1494 CB LEU A 93 2.448 2.711 7.153 1.00 0.00 C ATOM 1495 CG LEU A 93 2.012 3.101 5.735 1.00 0.00 C ATOM 1496 CD1 LEU A 93 3.160 3.785 5.005 1.00 0.00 C ATOM 1497 CD2 LEU A 93 1.560 1.858 4.983 1.00 0.00 C ATOM 0 H LEU A 93 0.813 4.288 8.205 1.00 0.00 H new ATOM 0 HA LEU A 93 0.754 1.462 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.951 3.564 7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.182 1.909 7.082 1.00 0.00 H new ATOM 0 HG LEU A 93 1.178 3.801 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.840 4.058 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.453 4.683 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.009 3.104 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.250 2.135 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.384 1.147 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.721 1.400 5.508 1.00 0.00 H new