USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 947 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 118 TYR OH : rot 180:sc= -0.0646 USER MOD Set 1.2: A 124 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0733) USER MOD Set 2.1: A 111 SER OG : rot 180:sc= 0.582 USER MOD Set 2.2: A 115 LYS NZ :NH3+ -168:sc= 0.649 (180deg=0) USER MOD Set 3.1: A 109 THR OG1 : rot -84:sc= 0.712 USER MOD Set 3.2: A 112 GLN : amide:sc= 1.4 K(o=2.1,f=-5.8!) USER MOD Set 4.1: A 98 GLN : amide:sc= 0.844 K(o=0.97,f=0.13) USER MOD Set 4.2: A 100 ASN : amide:sc= 0.125 K(o=0.97,f=0.13) USER MOD Set 5.1: A 96 THR OG1 : rot -143:sc= 1.43 USER MOD Set 5.2: A 101 THR OG1 : rot 40:sc= -0.112 USER MOD Set 6.1: A 95 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 52 TYR OH : rot 126:sc= 1.22 USER MOD Set 7.2: A 69 SER OG : rot -149:sc= 0.128 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl -162:sc= -0.773 (180deg=-1.54!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0667 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.655 K(o=0.66,f=-0.57!) USER MOD Single : A 48 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.18) USER MOD Single : A 49 GLN : amide:sc= 0.615 K(o=0.61,f=-0.098) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.106 USER MOD Single : A 60 THR OG1 : rot -47:sc= 0.027 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 103:sc= 1.25 USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.1) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 1.06 (180deg=0.787) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00351) USER MOD Single : A 119 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.15) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.0382 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -5.26! C(o=-5.3!,f=-11!) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -14.129 -19.427 0.138 1.00 0.00 N ATOM 2 CA GLY A 19 -13.538 -19.643 -1.187 1.00 0.00 C ATOM 3 C GLY A 19 -12.658 -18.478 -1.610 1.00 0.00 C ATOM 4 O GLY A 19 -12.008 -17.848 -0.777 1.00 0.00 O ATOM 0 HA2 GLY A 19 -12.948 -20.559 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.332 -19.784 -1.920 1.00 0.00 H new ATOM 8 N HIS A 20 -12.607 -18.185 -2.910 1.00 0.00 N ATOM 9 CA HIS A 20 -11.776 -17.127 -3.484 1.00 0.00 C ATOM 10 C HIS A 20 -12.215 -15.713 -3.086 1.00 0.00 C ATOM 11 O HIS A 20 -11.423 -14.785 -3.257 1.00 0.00 O ATOM 12 CB HIS A 20 -11.801 -17.232 -5.013 1.00 0.00 C ATOM 13 CG HIS A 20 -11.149 -18.474 -5.534 1.00 0.00 C ATOM 14 ND1 HIS A 20 -9.803 -18.635 -5.753 1.00 0.00 N ATOM 15 CD2 HIS A 20 -11.783 -19.621 -5.921 1.00 0.00 C ATOM 16 CE1 HIS A 20 -9.624 -19.859 -6.263 1.00 0.00 C ATOM 17 NE2 HIS A 20 -10.799 -20.501 -6.373 1.00 0.00 N ATOM 0 H HIS A 20 -13.155 -18.688 -3.608 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.773 -17.277 -3.086 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.836 -17.203 -5.355 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -11.300 -16.362 -5.438 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -12.846 -19.811 -5.884 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.668 -20.273 -6.547 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -10.944 -21.449 -6.720 1.00 0.00 H new ATOM 25 N MET A 21 -13.451 -15.533 -2.599 1.00 0.00 N ATOM 26 CA MET A 21 -14.066 -14.228 -2.349 1.00 0.00 C ATOM 27 C MET A 21 -13.532 -13.583 -1.057 1.00 0.00 C ATOM 28 O MET A 21 -14.277 -13.337 -0.100 1.00 0.00 O ATOM 29 CB MET A 21 -15.603 -14.374 -2.367 1.00 0.00 C ATOM 30 CG MET A 21 -16.364 -13.049 -2.504 1.00 0.00 C ATOM 31 SD MET A 21 -16.801 -12.559 -4.197 1.00 0.00 S ATOM 32 CE MET A 21 -15.169 -12.234 -4.909 1.00 0.00 C ATOM 0 H MET A 21 -14.064 -16.313 -2.363 1.00 0.00 H new ATOM 0 HA MET A 21 -13.788 -13.539 -3.147 1.00 0.00 H new ATOM 0 HB2 MET A 21 -15.884 -15.027 -3.193 1.00 0.00 H new ATOM 0 HB3 MET A 21 -15.920 -14.868 -1.448 1.00 0.00 H new ATOM 0 HG2 MET A 21 -17.280 -13.116 -1.917 1.00 0.00 H new ATOM 0 HG3 MET A 21 -15.759 -12.257 -2.062 1.00 0.00 H new ATOM 0 HE1 MET A 21 -15.279 -11.632 -5.811 1.00 0.00 H new ATOM 0 HE2 MET A 21 -14.557 -11.695 -4.186 1.00 0.00 H new ATOM 0 HE3 MET A 21 -14.687 -13.179 -5.160 1.00 0.00 H new ATOM 42 N LYS A 22 -12.237 -13.291 -1.037 1.00 0.00 N ATOM 43 CA LYS A 22 -11.514 -12.535 -0.023 1.00 0.00 C ATOM 44 C LYS A 22 -10.836 -11.367 -0.735 1.00 0.00 C ATOM 45 O LYS A 22 -10.755 -11.354 -1.966 1.00 0.00 O ATOM 46 CB LYS A 22 -10.473 -13.452 0.648 1.00 0.00 C ATOM 47 CG LYS A 22 -11.058 -14.336 1.761 1.00 0.00 C ATOM 48 CD LYS A 22 -10.143 -15.539 2.033 1.00 0.00 C ATOM 49 CE LYS A 22 -10.443 -16.212 3.376 1.00 0.00 C ATOM 50 NZ LYS A 22 -9.391 -15.958 4.378 1.00 0.00 N ATOM 0 H LYS A 22 -11.619 -13.601 -1.787 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.181 -12.162 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.020 -14.090 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.675 -12.838 1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.178 -13.750 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.050 -14.684 1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.259 -16.268 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.103 -15.211 2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.398 -15.850 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.547 -17.287 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.638 -16.433 5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.483 -16.327 4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.308 -14.934 4.543 1.00 0.00 H new ATOM 64 N PHE A 23 -10.343 -10.397 0.033 1.00 0.00 N ATOM 65 CA PHE A 23 -9.418 -9.406 -0.500 1.00 0.00 C ATOM 66 C PHE A 23 -8.086 -10.084 -0.828 1.00 0.00 C ATOM 67 O PHE A 23 -7.838 -11.247 -0.499 1.00 0.00 O ATOM 68 CB PHE A 23 -9.225 -8.238 0.483 1.00 0.00 C ATOM 69 CG PHE A 23 -10.330 -7.194 0.553 1.00 0.00 C ATOM 70 CD1 PHE A 23 -11.528 -7.303 -0.189 1.00 0.00 C ATOM 71 CD2 PHE A 23 -10.123 -6.052 1.351 1.00 0.00 C ATOM 72 CE1 PHE A 23 -12.490 -6.281 -0.134 1.00 0.00 C ATOM 73 CE2 PHE A 23 -11.098 -5.044 1.424 1.00 0.00 C ATOM 74 CZ PHE A 23 -12.280 -5.152 0.675 1.00 0.00 C ATOM 0 H PHE A 23 -10.569 -10.279 1.021 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.835 -8.984 -1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.092 -8.656 1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.296 -7.729 0.224 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.704 -8.175 -0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.206 -5.951 1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.396 -6.364 -0.717 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.938 -4.184 2.058 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.024 -4.371 0.720 1.00 0.00 H new ATOM 84 N THR A 24 -7.223 -9.319 -1.476 1.00 0.00 N ATOM 85 CA THR A 24 -5.977 -9.734 -2.079 1.00 0.00 C ATOM 86 C THR A 24 -4.936 -8.676 -1.738 1.00 0.00 C ATOM 87 O THR A 24 -5.281 -7.524 -1.474 1.00 0.00 O ATOM 88 CB THR A 24 -6.211 -9.898 -3.600 1.00 0.00 C ATOM 89 OG1 THR A 24 -7.224 -9.030 -4.070 1.00 0.00 O ATOM 90 CG2 THR A 24 -6.672 -11.334 -3.853 1.00 0.00 C ATOM 0 H THR A 24 -7.392 -8.321 -1.601 1.00 0.00 H new ATOM 0 HA THR A 24 -5.616 -10.692 -1.705 1.00 0.00 H new ATOM 0 HB THR A 24 -5.282 -9.663 -4.120 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.344 -9.159 -5.034 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.845 -11.478 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.903 -12.028 -3.513 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.597 -11.521 -3.307 1.00 0.00 H new ATOM 98 N ASP A 25 -3.658 -9.054 -1.748 1.00 0.00 N ATOM 99 CA ASP A 25 -2.525 -8.149 -1.544 1.00 0.00 C ATOM 100 C ASP A 25 -2.645 -6.922 -2.444 1.00 0.00 C ATOM 101 O ASP A 25 -2.618 -5.804 -1.941 1.00 0.00 O ATOM 102 CB ASP A 25 -1.190 -8.882 -1.745 1.00 0.00 C ATOM 103 CG ASP A 25 -1.221 -9.822 -2.949 1.00 0.00 C ATOM 104 OD1 ASP A 25 -0.992 -9.383 -4.096 1.00 0.00 O ATOM 105 OD2 ASP A 25 -1.571 -11.003 -2.734 1.00 0.00 O ATOM 0 H ASP A 25 -3.374 -10.021 -1.902 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.545 -7.799 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.393 -8.151 -1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.952 -9.453 -0.847 1.00 0.00 H new ATOM 110 N GLN A 26 -2.899 -7.126 -3.736 1.00 0.00 N ATOM 111 CA GLN A 26 -3.190 -6.081 -4.715 1.00 0.00 C ATOM 112 C GLN A 26 -4.190 -5.044 -4.182 1.00 0.00 C ATOM 113 O GLN A 26 -3.920 -3.845 -4.139 1.00 0.00 O ATOM 114 CB GLN A 26 -3.760 -6.767 -5.965 1.00 0.00 C ATOM 115 CG GLN A 26 -2.714 -7.621 -6.686 1.00 0.00 C ATOM 116 CD GLN A 26 -3.305 -8.432 -7.831 1.00 0.00 C ATOM 117 OE1 GLN A 26 -3.119 -9.645 -7.888 1.00 0.00 O ATOM 118 NE2 GLN A 26 -4.022 -7.804 -8.747 1.00 0.00 N ATOM 0 H GLN A 26 -2.908 -8.060 -4.145 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.272 -5.538 -4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.604 -7.395 -5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.143 -6.010 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.927 -6.974 -7.073 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.247 -8.298 -5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.164 -6.796 -8.681 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.433 -8.327 -9.520 1.00 0.00 H new ATOM 127 N GLN A 27 -5.361 -5.524 -3.773 1.00 0.00 N ATOM 128 CA GLN A 27 -6.497 -4.699 -3.394 1.00 0.00 C ATOM 129 C GLN A 27 -6.228 -3.990 -2.064 1.00 0.00 C ATOM 130 O GLN A 27 -6.592 -2.824 -1.889 1.00 0.00 O ATOM 131 CB GLN A 27 -7.728 -5.617 -3.328 1.00 0.00 C ATOM 132 CG GLN A 27 -8.088 -6.202 -4.711 1.00 0.00 C ATOM 133 CD GLN A 27 -8.762 -5.206 -5.654 1.00 0.00 C ATOM 134 OE1 GLN A 27 -9.235 -4.155 -5.239 1.00 0.00 O ATOM 135 NE2 GLN A 27 -8.809 -5.492 -6.943 1.00 0.00 N ATOM 0 H GLN A 27 -5.548 -6.524 -3.695 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.672 -3.910 -4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.536 -6.431 -2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.578 -5.056 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.179 -6.575 -5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.749 -7.057 -4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.414 -6.368 -7.286 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.240 -4.837 -7.595 1.00 0.00 H new ATOM 144 N ILE A 28 -5.592 -4.682 -1.118 1.00 0.00 N ATOM 145 CA ILE A 28 -5.179 -4.128 0.167 1.00 0.00 C ATOM 146 C ILE A 28 -4.121 -3.044 -0.067 1.00 0.00 C ATOM 147 O ILE A 28 -4.072 -2.068 0.684 1.00 0.00 O ATOM 148 CB ILE A 28 -4.689 -5.288 1.068 1.00 0.00 C ATOM 149 CG1 ILE A 28 -5.910 -6.145 1.480 1.00 0.00 C ATOM 150 CG2 ILE A 28 -3.933 -4.806 2.319 1.00 0.00 C ATOM 151 CD1 ILE A 28 -5.554 -7.466 2.168 1.00 0.00 C ATOM 0 H ILE A 28 -5.345 -5.665 -1.229 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.008 -3.645 0.684 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.977 -5.878 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.540 -5.559 2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.503 -6.361 0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.617 -5.667 2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.057 -4.232 2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.589 -4.177 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.469 -8.002 2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.951 -8.076 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.989 -7.262 3.077 1.00 0.00 H new ATOM 163 N GLY A 29 -3.304 -3.192 -1.114 1.00 0.00 N ATOM 164 CA GLY A 29 -2.242 -2.286 -1.492 1.00 0.00 C ATOM 165 C GLY A 29 -2.718 -0.848 -1.540 1.00 0.00 C ATOM 166 O GLY A 29 -2.139 0.007 -0.866 1.00 0.00 O ATOM 0 H GLY A 29 -3.378 -3.990 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.420 -2.373 -0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.851 -2.572 -2.468 1.00 0.00 H new ATOM 170 N VAL A 30 -3.768 -0.583 -2.315 1.00 0.00 N ATOM 171 CA VAL A 30 -4.232 0.777 -2.544 1.00 0.00 C ATOM 172 C VAL A 30 -4.817 1.347 -1.247 1.00 0.00 C ATOM 173 O VAL A 30 -4.557 2.505 -0.935 1.00 0.00 O ATOM 174 CB VAL A 30 -5.187 0.792 -3.758 1.00 0.00 C ATOM 175 CG1 VAL A 30 -5.872 2.146 -3.994 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.400 0.447 -5.037 1.00 0.00 C ATOM 0 H VAL A 30 -4.313 -1.299 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.411 1.444 -2.806 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.961 0.058 -3.534 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.526 2.076 -4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.461 2.413 -3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.115 2.911 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.074 0.458 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.610 1.183 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.958 -0.544 -4.936 1.00 0.00 H new ATOM 186 N LEU A 31 -5.551 0.549 -0.463 1.00 0.00 N ATOM 187 CA LEU A 31 -6.110 0.981 0.819 1.00 0.00 C ATOM 188 C LEU A 31 -5.004 1.362 1.798 1.00 0.00 C ATOM 189 O LEU A 31 -5.053 2.450 2.367 1.00 0.00 O ATOM 190 CB LEU A 31 -7.009 -0.120 1.413 1.00 0.00 C ATOM 191 CG LEU A 31 -8.523 0.128 1.311 1.00 0.00 C ATOM 192 CD1 LEU A 31 -8.996 0.597 -0.066 1.00 0.00 C ATOM 193 CD2 LEU A 31 -9.272 -1.160 1.657 1.00 0.00 C ATOM 0 H LEU A 31 -5.774 -0.417 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.720 1.867 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.779 -1.061 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.750 -0.247 2.464 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.738 0.933 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.075 0.747 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.503 1.535 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.747 -0.157 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.346 -0.987 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.984 -1.947 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.021 -1.465 2.673 1.00 0.00 H new ATOM 205 N ALA A 32 -4.024 0.486 2.026 1.00 0.00 N ATOM 206 CA ALA A 32 -2.938 0.790 2.951 1.00 0.00 C ATOM 207 C ALA A 32 -2.115 1.989 2.460 1.00 0.00 C ATOM 208 O ALA A 32 -1.661 2.776 3.289 1.00 0.00 O ATOM 209 CB ALA A 32 -2.086 -0.458 3.197 1.00 0.00 C ATOM 0 H ALA A 32 -3.962 -0.432 1.585 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.360 1.084 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.279 -0.217 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.708 -1.245 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.664 -0.802 2.253 1.00 0.00 H new ATOM 215 N GLY A 33 -1.995 2.188 1.142 1.00 0.00 N ATOM 216 CA GLY A 33 -1.372 3.381 0.578 1.00 0.00 C ATOM 217 C GLY A 33 -2.132 4.667 0.912 1.00 0.00 C ATOM 218 O GLY A 33 -1.518 5.725 1.008 1.00 0.00 O ATOM 0 H GLY A 33 -2.328 1.525 0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.351 3.462 0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.309 3.274 -0.505 1.00 0.00 H new ATOM 222 N LEU A 34 -3.447 4.624 1.145 1.00 0.00 N ATOM 223 CA LEU A 34 -4.187 5.834 1.509 1.00 0.00 C ATOM 224 C LEU A 34 -3.912 6.264 2.945 1.00 0.00 C ATOM 225 O LEU A 34 -3.993 7.455 3.261 1.00 0.00 O ATOM 226 CB LEU A 34 -5.692 5.647 1.328 1.00 0.00 C ATOM 227 CG LEU A 34 -6.112 5.463 -0.135 1.00 0.00 C ATOM 228 CD1 LEU A 34 -7.558 4.976 -0.144 1.00 0.00 C ATOM 229 CD2 LEU A 34 -5.925 6.749 -0.943 1.00 0.00 C ATOM 0 H LEU A 34 -4.013 3.778 1.089 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.836 6.615 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.014 4.779 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.210 6.513 1.741 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.475 4.723 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.888 4.835 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.626 4.029 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.194 5.715 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.233 6.579 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.533 7.543 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.876 7.043 -0.922 1.00 0.00 H new ATOM 241 N ALA A 35 -3.568 5.313 3.817 1.00 0.00 N ATOM 242 CA ALA A 35 -3.087 5.651 5.147 1.00 0.00 C ATOM 243 C ALA A 35 -1.704 6.313 5.077 1.00 0.00 C ATOM 244 O ALA A 35 -1.361 7.060 5.994 1.00 0.00 O ATOM 245 CB ALA A 35 -3.047 4.403 6.038 1.00 0.00 C ATOM 0 H ALA A 35 -3.615 4.313 3.623 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.781 6.366 5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.685 4.675 7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.049 3.983 6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.379 3.663 5.598 1.00 0.00 H new ATOM 251 N ILE A 36 -0.907 6.046 4.036 1.00 0.00 N ATOM 252 CA ILE A 36 0.509 6.379 3.972 1.00 0.00 C ATOM 253 C ILE A 36 0.788 7.087 2.638 1.00 0.00 C ATOM 254 O ILE A 36 1.212 6.470 1.665 1.00 0.00 O ATOM 255 CB ILE A 36 1.373 5.107 4.163 1.00 0.00 C ATOM 256 CG1 ILE A 36 1.022 4.200 5.370 1.00 0.00 C ATOM 257 CG2 ILE A 36 2.864 5.483 4.235 1.00 0.00 C ATOM 258 CD1 ILE A 36 1.127 4.794 6.782 1.00 0.00 C ATOM 0 H ILE A 36 -1.245 5.579 3.194 1.00 0.00 H new ATOM 0 HA ILE A 36 0.778 7.058 4.781 1.00 0.00 H new ATOM 0 HB ILE A 36 1.142 4.506 3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.000 3.846 5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.671 3.325 5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.461 4.581 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.159 5.979 3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.029 6.156 5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.850 4.038 7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.151 5.119 6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.455 5.648 6.869 1.00 0.00 H new ATOM 270 N SER A 37 0.621 8.408 2.618 1.00 0.00 N ATOM 271 CA SER A 37 0.972 9.279 1.502 1.00 0.00 C ATOM 272 C SER A 37 0.047 9.046 0.288 1.00 0.00 C ATOM 273 O SER A 37 0.538 8.768 -0.810 1.00 0.00 O ATOM 274 CB SER A 37 2.480 9.128 1.206 1.00 0.00 C ATOM 275 OG SER A 37 3.070 10.349 0.788 1.00 0.00 O ATOM 0 H SER A 37 0.223 8.918 3.407 1.00 0.00 H new ATOM 0 HA SER A 37 0.803 10.323 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.989 8.768 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.623 8.374 0.432 1.00 0.00 H new ATOM 0 HG SER A 37 4.024 10.208 0.613 1.00 0.00 H new ATOM 281 N PRO A 38 -1.281 9.253 0.435 1.00 0.00 N ATOM 282 CA PRO A 38 -2.246 9.053 -0.642 1.00 0.00 C ATOM 283 C PRO A 38 -1.918 9.916 -1.858 1.00 0.00 C ATOM 284 O PRO A 38 -2.093 9.466 -2.982 1.00 0.00 O ATOM 285 CB PRO A 38 -3.619 9.434 -0.073 1.00 0.00 C ATOM 286 CG PRO A 38 -3.289 10.319 1.117 1.00 0.00 C ATOM 287 CD PRO A 38 -1.966 9.744 1.621 1.00 0.00 C ATOM 0 HA PRO A 38 -2.225 8.018 -0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.224 9.964 -0.809 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.185 8.553 0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.189 11.365 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.065 10.273 1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.375 10.506 2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.135 8.941 2.338 1.00 0.00 H new ATOM 295 N GLU A 39 -1.445 11.147 -1.646 1.00 0.00 N ATOM 296 CA GLU A 39 -1.115 12.076 -2.721 1.00 0.00 C ATOM 297 C GLU A 39 -0.032 11.508 -3.637 1.00 0.00 C ATOM 298 O GLU A 39 -0.175 11.607 -4.851 1.00 0.00 O ATOM 299 CB GLU A 39 -0.706 13.431 -2.122 1.00 0.00 C ATOM 300 CG GLU A 39 -1.952 14.201 -1.652 1.00 0.00 C ATOM 301 CD GLU A 39 -1.645 15.303 -0.641 1.00 0.00 C ATOM 302 OE1 GLU A 39 -0.931 15.041 0.350 1.00 0.00 O ATOM 303 OE2 GLU A 39 -2.214 16.414 -0.726 1.00 0.00 O ATOM 0 H GLU A 39 -1.280 11.527 -0.714 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.998 12.226 -3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.027 13.276 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.166 14.017 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.445 14.642 -2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.657 13.498 -1.208 1.00 0.00 H new ATOM 310 N TRP A 40 1.002 10.866 -3.080 1.00 0.00 N ATOM 311 CA TRP A 40 2.050 10.220 -3.865 1.00 0.00 C ATOM 312 C TRP A 40 1.408 9.128 -4.716 1.00 0.00 C ATOM 313 O TRP A 40 1.458 9.212 -5.939 1.00 0.00 O ATOM 314 CB TRP A 40 3.161 9.688 -2.948 1.00 0.00 C ATOM 315 CG TRP A 40 4.100 8.680 -3.540 1.00 0.00 C ATOM 316 CD1 TRP A 40 5.155 8.942 -4.346 1.00 0.00 C ATOM 317 CD2 TRP A 40 4.063 7.229 -3.391 1.00 0.00 C ATOM 318 NE1 TRP A 40 5.836 7.767 -4.609 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.190 6.676 -4.064 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.176 6.323 -2.768 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.437 5.295 -4.089 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.381 4.934 -2.845 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.520 4.417 -3.486 1.00 0.00 C ATOM 0 H TRP A 40 1.132 10.782 -2.072 1.00 0.00 H new ATOM 0 HA TRP A 40 2.530 10.936 -4.532 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.749 10.537 -2.599 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.693 9.242 -2.070 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.424 9.917 -4.725 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.706 7.714 -5.139 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.325 6.704 -2.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.325 4.910 -4.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.659 4.260 -2.409 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.690 3.351 -3.515 1.00 0.00 H new ATOM 334 N LEU A 41 0.722 8.164 -4.089 1.00 0.00 N ATOM 335 CA LEU A 41 0.055 7.061 -4.786 1.00 0.00 C ATOM 336 C LEU A 41 -0.818 7.599 -5.918 1.00 0.00 C ATOM 337 O LEU A 41 -0.739 7.119 -7.047 1.00 0.00 O ATOM 338 CB LEU A 41 -0.728 6.207 -3.770 1.00 0.00 C ATOM 339 CG LEU A 41 -1.591 5.076 -4.386 1.00 0.00 C ATOM 340 CD1 LEU A 41 -1.762 3.953 -3.355 1.00 0.00 C ATOM 341 CD2 LEU A 41 -3.008 5.541 -4.772 1.00 0.00 C ATOM 0 H LEU A 41 0.614 8.129 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 41 0.794 6.409 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.020 5.762 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.377 6.864 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.070 4.747 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.368 3.155 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.784 3.558 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.256 4.347 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.562 4.704 -5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.526 5.906 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.940 6.343 -5.507 1.00 0.00 H new ATOM 353 N LYS A 42 -1.635 8.612 -5.630 1.00 0.00 N ATOM 354 CA LYS A 42 -2.569 9.195 -6.581 1.00 0.00 C ATOM 355 C LYS A 42 -1.838 9.843 -7.752 1.00 0.00 C ATOM 356 O LYS A 42 -2.213 9.583 -8.897 1.00 0.00 O ATOM 357 CB LYS A 42 -3.517 10.150 -5.840 1.00 0.00 C ATOM 358 CG LYS A 42 -4.557 9.339 -5.045 1.00 0.00 C ATOM 359 CD LYS A 42 -5.397 10.147 -4.056 1.00 0.00 C ATOM 360 CE LYS A 42 -6.472 10.973 -4.771 1.00 0.00 C ATOM 361 NZ LYS A 42 -7.100 11.944 -3.853 1.00 0.00 N ATOM 0 H LYS A 42 -1.663 9.055 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.181 8.411 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.949 10.791 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.020 10.804 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.228 8.849 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.039 8.552 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.870 9.472 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.748 10.810 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.027 11.501 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.234 10.308 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.823 12.488 -4.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.545 11.436 -3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.375 12.592 -3.485 1.00 0.00 H new ATOM 375 N GLN A 43 -0.781 10.622 -7.503 1.00 0.00 N ATOM 376 CA GLN A 43 0.065 11.169 -8.560 1.00 0.00 C ATOM 377 C GLN A 43 0.702 10.053 -9.393 1.00 0.00 C ATOM 378 O GLN A 43 0.813 10.193 -10.613 1.00 0.00 O ATOM 379 CB GLN A 43 1.206 12.015 -7.984 1.00 0.00 C ATOM 380 CG GLN A 43 0.829 13.406 -7.454 1.00 0.00 C ATOM 381 CD GLN A 43 2.045 14.206 -6.969 1.00 0.00 C ATOM 382 OE1 GLN A 43 3.267 13.791 -7.279 1.00 0.00 O flip ATOM 383 NE2 GLN A 43 1.897 15.236 -6.310 1.00 0.00 N flip ATOM 0 H GLN A 43 -0.491 10.889 -6.562 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.585 11.786 -9.181 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.669 11.455 -7.172 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.963 12.139 -8.758 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.322 13.965 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.120 13.297 -6.633 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.959 15.558 -6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.712 15.767 -6.004 1.00 0.00 H new ATOM 392 N ASN A 44 1.150 8.968 -8.751 1.00 0.00 N ATOM 393 CA ASN A 44 1.801 7.863 -9.439 1.00 0.00 C ATOM 394 C ASN A 44 0.794 7.228 -10.394 1.00 0.00 C ATOM 395 O ASN A 44 1.076 7.105 -11.582 1.00 0.00 O ATOM 396 CB ASN A 44 2.324 6.764 -8.501 1.00 0.00 C ATOM 397 CG ASN A 44 3.158 7.130 -7.283 1.00 0.00 C ATOM 398 OD1 ASN A 44 3.110 6.378 -6.324 1.00 0.00 O ATOM 399 ND2 ASN A 44 3.952 8.184 -7.253 1.00 0.00 N ATOM 0 H ASN A 44 1.069 8.838 -7.743 1.00 0.00 H new ATOM 0 HA ASN A 44 2.665 8.282 -9.954 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.459 6.205 -8.144 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.918 6.079 -9.106 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.524 8.368 -6.429 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.994 8.814 -8.054 1.00 0.00 H new ATOM 406 N ILE A 45 -0.380 6.823 -9.891 1.00 0.00 N ATOM 407 CA ILE A 45 -1.457 6.228 -10.682 1.00 0.00 C ATOM 408 C ILE A 45 -1.837 7.171 -11.829 1.00 0.00 C ATOM 409 O ILE A 45 -2.029 6.718 -12.953 1.00 0.00 O ATOM 410 CB ILE A 45 -2.677 5.924 -9.780 1.00 0.00 C ATOM 411 CG1 ILE A 45 -2.460 4.821 -8.722 1.00 0.00 C ATOM 412 CG2 ILE A 45 -3.911 5.560 -10.617 1.00 0.00 C ATOM 413 CD1 ILE A 45 -2.232 3.415 -9.270 1.00 0.00 C ATOM 0 H ILE A 45 -0.609 6.903 -8.900 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.115 5.286 -11.110 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.831 6.855 -9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.602 5.096 -8.108 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.329 4.798 -8.064 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.751 5.352 -9.955 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.164 6.393 -11.273 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.695 4.677 -11.218 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.091 2.720 -8.442 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.098 3.109 -9.858 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.344 3.411 -9.902 1.00 0.00 H new ATOM 425 N ALA A 46 -1.914 8.480 -11.569 1.00 0.00 N ATOM 426 CA ALA A 46 -2.278 9.489 -12.559 1.00 0.00 C ATOM 427 C ALA A 46 -1.193 9.746 -13.610 1.00 0.00 C ATOM 428 O ALA A 46 -1.298 10.708 -14.378 1.00 0.00 O ATOM 429 CB ALA A 46 -2.611 10.787 -11.835 1.00 0.00 C ATOM 0 H ALA A 46 -1.721 8.871 -10.647 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.140 9.105 -13.105 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.885 11.550 -12.564 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.445 10.620 -11.154 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.742 11.121 -11.269 1.00 0.00 H new ATOM 435 N ALA A 47 -0.119 8.960 -13.627 1.00 0.00 N ATOM 436 CA ALA A 47 0.746 8.820 -14.785 1.00 0.00 C ATOM 437 C ALA A 47 1.131 7.347 -15.002 1.00 0.00 C ATOM 438 O ALA A 47 2.163 7.056 -15.612 1.00 0.00 O ATOM 439 CB ALA A 47 1.952 9.748 -14.638 1.00 0.00 C ATOM 0 H ALA A 47 0.174 8.399 -12.827 1.00 0.00 H new ATOM 0 HA ALA A 47 0.215 9.125 -15.687 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.601 9.642 -15.508 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.610 10.780 -14.564 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.507 9.484 -13.737 1.00 0.00 H new ATOM 445 N ASN A 48 0.340 6.408 -14.467 1.00 0.00 N ATOM 446 CA ASN A 48 0.556 4.954 -14.466 1.00 0.00 C ATOM 447 C ASN A 48 1.955 4.555 -13.962 1.00 0.00 C ATOM 448 O ASN A 48 2.499 3.526 -14.335 1.00 0.00 O ATOM 449 CB ASN A 48 0.221 4.394 -15.858 1.00 0.00 C ATOM 450 CG ASN A 48 0.100 2.873 -15.884 1.00 0.00 C ATOM 451 OD1 ASN A 48 -0.830 2.298 -15.325 1.00 0.00 O ATOM 452 ND2 ASN A 48 0.994 2.186 -16.571 1.00 0.00 N ATOM 0 H ASN A 48 -0.526 6.660 -13.991 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.122 4.498 -13.744 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.716 4.832 -16.202 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.994 4.702 -16.562 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.915 1.171 -16.640 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.764 2.670 -17.033 1.00 0.00 H new ATOM 459 N GLN A 49 2.599 5.389 -13.144 1.00 0.00 N ATOM 460 CA GLN A 49 3.977 5.182 -12.696 1.00 0.00 C ATOM 461 C GLN A 49 4.077 4.202 -11.535 1.00 0.00 C ATOM 462 O GLN A 49 5.181 3.773 -11.221 1.00 0.00 O ATOM 463 CB GLN A 49 4.626 6.512 -12.267 1.00 0.00 C ATOM 464 CG GLN A 49 4.741 7.545 -13.390 1.00 0.00 C ATOM 465 CD GLN A 49 5.558 7.044 -14.573 1.00 0.00 C ATOM 466 OE1 GLN A 49 6.771 7.221 -14.639 1.00 0.00 O ATOM 467 NE2 GLN A 49 4.913 6.413 -15.536 1.00 0.00 N ATOM 0 H GLN A 49 2.173 6.237 -12.770 1.00 0.00 H new ATOM 0 HA GLN A 49 4.506 4.762 -13.551 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.043 6.941 -11.452 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.622 6.307 -11.874 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.742 7.815 -13.733 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.199 8.453 -12.997 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.905 6.273 -15.468 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.423 6.065 -16.348 1.00 0.00 H new ATOM 476 N LEU A 50 2.980 3.881 -10.853 1.00 0.00 N ATOM 477 CA LEU A 50 3.050 3.022 -9.675 1.00 0.00 C ATOM 478 C LEU A 50 3.408 1.601 -10.114 1.00 0.00 C ATOM 479 O LEU A 50 2.802 1.094 -11.055 1.00 0.00 O ATOM 480 CB LEU A 50 1.712 3.065 -8.928 1.00 0.00 C ATOM 481 CG LEU A 50 1.716 2.316 -7.578 1.00 0.00 C ATOM 482 CD1 LEU A 50 2.797 2.834 -6.623 1.00 0.00 C ATOM 483 CD2 LEU A 50 0.356 2.506 -6.898 1.00 0.00 C ATOM 0 H LEU A 50 2.041 4.199 -11.093 1.00 0.00 H new ATOM 0 HA LEU A 50 3.823 3.374 -8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.440 4.106 -8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.939 2.637 -9.566 1.00 0.00 H new ATOM 0 HG LEU A 50 1.921 1.267 -7.791 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.756 2.274 -5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.778 2.706 -7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.626 3.891 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.350 1.980 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.179 3.568 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.430 2.105 -7.538 1.00 0.00 H new ATOM 495 N VAL A 51 4.355 0.955 -9.440 1.00 0.00 N ATOM 496 CA VAL A 51 4.672 -0.459 -9.581 1.00 0.00 C ATOM 497 C VAL A 51 4.280 -1.123 -8.250 1.00 0.00 C ATOM 498 O VAL A 51 4.219 -0.470 -7.203 1.00 0.00 O ATOM 499 CB VAL A 51 6.165 -0.645 -9.961 1.00 0.00 C ATOM 500 CG1 VAL A 51 6.562 -2.119 -10.161 1.00 0.00 C ATOM 501 CG2 VAL A 51 6.530 0.062 -11.280 1.00 0.00 C ATOM 0 H VAL A 51 4.946 1.423 -8.753 1.00 0.00 H new ATOM 0 HA VAL A 51 4.119 -0.933 -10.392 1.00 0.00 H new ATOM 0 HB VAL A 51 6.699 -0.213 -9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.618 -2.179 -10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.387 -2.671 -9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.963 -2.552 -10.962 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.585 -0.100 -11.499 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.925 -0.344 -12.090 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.339 1.131 -11.185 1.00 0.00 H new ATOM 511 N TYR A 52 3.990 -2.418 -8.311 1.00 0.00 N ATOM 512 CA TYR A 52 3.723 -3.335 -7.217 1.00 0.00 C ATOM 513 C TYR A 52 4.727 -4.482 -7.333 1.00 0.00 C ATOM 514 O TYR A 52 5.065 -4.887 -8.447 1.00 0.00 O ATOM 515 CB TYR A 52 2.291 -3.860 -7.375 1.00 0.00 C ATOM 516 CG TYR A 52 1.978 -5.050 -6.500 1.00 0.00 C ATOM 517 CD1 TYR A 52 1.867 -4.869 -5.111 1.00 0.00 C ATOM 518 CD2 TYR A 52 1.858 -6.338 -7.061 1.00 0.00 C ATOM 519 CE1 TYR A 52 1.635 -5.972 -4.279 1.00 0.00 C ATOM 520 CE2 TYR A 52 1.645 -7.449 -6.230 1.00 0.00 C ATOM 521 CZ TYR A 52 1.541 -7.266 -4.835 1.00 0.00 C ATOM 522 OH TYR A 52 1.367 -8.332 -4.020 1.00 0.00 O ATOM 0 H TYR A 52 3.931 -2.893 -9.212 1.00 0.00 H new ATOM 0 HA TYR A 52 3.820 -2.854 -6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.592 -3.057 -7.143 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.127 -4.134 -8.417 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.960 -3.881 -4.685 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.930 -6.470 -8.131 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.528 -5.832 -3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.561 -8.438 -6.656 1.00 0.00 H new ATOM 0 HH TYR A 52 0.577 -8.837 -4.306 1.00 0.00 H new ATOM 532 N GLY A 53 5.189 -5.054 -6.222 1.00 0.00 N ATOM 533 CA GLY A 53 6.159 -6.136 -6.302 1.00 0.00 C ATOM 534 C GLY A 53 6.276 -6.944 -5.026 1.00 0.00 C ATOM 535 O GLY A 53 5.754 -6.582 -3.970 1.00 0.00 O ATOM 0 H GLY A 53 4.912 -4.791 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.881 -6.802 -7.119 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.136 -5.719 -6.549 1.00 0.00 H new ATOM 539 N ILE A 54 7.015 -8.043 -5.139 1.00 0.00 N ATOM 540 CA ILE A 54 7.329 -8.991 -4.087 1.00 0.00 C ATOM 541 C ILE A 54 8.821 -8.911 -3.872 1.00 0.00 C ATOM 542 O ILE A 54 9.652 -8.913 -4.776 1.00 0.00 O ATOM 543 CB ILE A 54 6.827 -10.392 -4.499 1.00 0.00 C ATOM 544 CG1 ILE A 54 5.300 -10.443 -4.709 1.00 0.00 C ATOM 545 CG2 ILE A 54 7.232 -11.471 -3.492 1.00 0.00 C ATOM 546 CD1 ILE A 54 4.464 -10.273 -3.434 1.00 0.00 C ATOM 0 H ILE A 54 7.436 -8.308 -6.029 1.00 0.00 H new ATOM 0 HA ILE A 54 6.832 -8.768 -3.143 1.00 0.00 H new ATOM 0 HB ILE A 54 7.312 -10.597 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.019 -9.662 -5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.043 -11.397 -5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.856 -12.439 -3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.319 -11.510 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.810 -11.234 -2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.404 -10.323 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.709 -11.068 -2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.684 -9.307 -2.981 1.00 0.00 H new ATOM 558 N VAL A 55 9.076 -8.837 -2.587 1.00 0.00 N ATOM 559 CA VAL A 55 10.276 -8.938 -1.821 1.00 0.00 C ATOM 560 C VAL A 55 11.156 -10.103 -2.274 1.00 0.00 C ATOM 561 O VAL A 55 12.292 -9.838 -2.660 1.00 0.00 O ATOM 562 CB VAL A 55 9.774 -9.001 -0.361 1.00 0.00 C ATOM 563 CG1 VAL A 55 9.571 -7.579 0.159 1.00 0.00 C ATOM 564 CG2 VAL A 55 8.504 -9.836 -0.153 1.00 0.00 C ATOM 0 H VAL A 55 8.293 -8.675 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 55 10.955 -8.095 -1.950 1.00 0.00 H new ATOM 0 HB VAL A 55 10.546 -9.520 0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.217 -7.615 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.517 -7.039 0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.834 -7.067 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.228 -9.822 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.692 -9.417 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.689 -10.864 -0.466 1.00 0.00 H new ATOM 574 N LYS A 56 10.631 -11.333 -2.332 1.00 0.00 N ATOM 575 CA LYS A 56 11.313 -12.554 -2.757 1.00 0.00 C ATOM 576 C LYS A 56 12.494 -12.928 -1.849 1.00 0.00 C ATOM 577 O LYS A 56 13.025 -12.083 -1.133 1.00 0.00 O ATOM 578 CB LYS A 56 11.682 -12.452 -4.257 1.00 0.00 C ATOM 579 CG LYS A 56 10.446 -12.559 -5.177 1.00 0.00 C ATOM 580 CD LYS A 56 10.706 -13.562 -6.294 1.00 0.00 C ATOM 581 CE LYS A 56 9.478 -13.838 -7.161 1.00 0.00 C ATOM 582 NZ LYS A 56 9.663 -15.076 -7.949 1.00 0.00 N ATOM 0 H LYS A 56 9.662 -11.509 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 56 10.624 -13.392 -2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.187 -11.503 -4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.388 -13.243 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.577 -12.868 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.214 -11.582 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.512 -13.189 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.051 -14.499 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.594 -13.931 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.303 -12.997 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.818 -15.246 -8.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.494 -14.974 -8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.807 -15.879 -7.305 1.00 0.00 H new ATOM 596 N PRO A 57 12.939 -14.200 -1.859 1.00 0.00 N ATOM 597 CA PRO A 57 14.029 -14.678 -1.005 1.00 0.00 C ATOM 598 C PRO A 57 15.397 -14.138 -1.414 1.00 0.00 C ATOM 599 O PRO A 57 16.387 -14.322 -0.698 1.00 0.00 O ATOM 600 CB PRO A 57 13.982 -16.201 -1.117 1.00 0.00 C ATOM 601 CG PRO A 57 13.377 -16.438 -2.495 1.00 0.00 C ATOM 602 CD PRO A 57 12.336 -15.329 -2.554 1.00 0.00 C ATOM 0 HA PRO A 57 13.895 -14.327 0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.976 -16.640 -1.034 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.372 -16.643 -0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.117 -16.351 -3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.929 -17.428 -2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.093 -15.072 -3.585 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.407 -15.636 -2.074 1.00 0.00 H new ATOM 610 N SER A 58 15.480 -13.536 -2.594 1.00 0.00 N ATOM 611 CA SER A 58 16.629 -12.796 -3.080 1.00 0.00 C ATOM 612 C SER A 58 16.117 -11.696 -4.010 1.00 0.00 C ATOM 613 O SER A 58 15.936 -11.919 -5.211 1.00 0.00 O ATOM 614 CB SER A 58 17.629 -13.752 -3.749 1.00 0.00 C ATOM 615 OG SER A 58 18.026 -14.746 -2.815 1.00 0.00 O ATOM 0 H SER A 58 14.712 -13.553 -3.265 1.00 0.00 H new ATOM 0 HA SER A 58 17.176 -12.322 -2.266 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.174 -14.219 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.500 -13.198 -4.100 1.00 0.00 H new ATOM 0 HG SER A 58 18.663 -15.358 -3.240 1.00 0.00 H new ATOM 621 N ASP A 59 15.846 -10.522 -3.442 1.00 0.00 N ATOM 622 CA ASP A 59 15.837 -9.243 -4.158 1.00 0.00 C ATOM 623 C ASP A 59 16.500 -8.196 -3.252 1.00 0.00 C ATOM 624 O ASP A 59 17.200 -8.578 -2.310 1.00 0.00 O ATOM 625 CB ASP A 59 14.445 -8.830 -4.669 1.00 0.00 C ATOM 626 CG ASP A 59 14.604 -8.080 -5.993 1.00 0.00 C ATOM 627 OD1 ASP A 59 15.111 -6.938 -5.997 1.00 0.00 O ATOM 628 OD2 ASP A 59 14.371 -8.683 -7.067 1.00 0.00 O ATOM 0 H ASP A 59 15.622 -10.429 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 59 16.412 -9.339 -5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.818 -9.711 -4.808 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.947 -8.197 -3.935 1.00 0.00 H new ATOM 633 N THR A 60 16.360 -6.900 -3.528 1.00 0.00 N ATOM 634 CA THR A 60 17.089 -5.812 -2.875 1.00 0.00 C ATOM 635 C THR A 60 16.332 -5.233 -1.677 1.00 0.00 C ATOM 636 O THR A 60 16.313 -4.024 -1.424 1.00 0.00 O ATOM 637 CB THR A 60 17.515 -4.804 -3.962 1.00 0.00 C ATOM 638 OG1 THR A 60 18.467 -3.865 -3.524 1.00 0.00 O ATOM 639 CG2 THR A 60 16.324 -4.051 -4.556 1.00 0.00 C ATOM 0 H THR A 60 15.711 -6.566 -4.240 1.00 0.00 H new ATOM 0 HA THR A 60 18.002 -6.179 -2.406 1.00 0.00 H new ATOM 0 HB THR A 60 17.978 -5.424 -4.730 1.00 0.00 H new ATOM 0 HG1 THR A 60 18.185 -3.490 -2.664 1.00 0.00 H new ATOM 0 HG21 THR A 60 16.677 -3.354 -5.316 1.00 0.00 H new ATOM 0 HG22 THR A 60 15.633 -4.762 -5.009 1.00 0.00 H new ATOM 0 HG23 THR A 60 15.812 -3.499 -3.767 1.00 0.00 H new ATOM 647 N VAL A 61 15.655 -6.106 -0.948 1.00 0.00 N ATOM 648 CA VAL A 61 14.675 -5.724 0.049 1.00 0.00 C ATOM 649 C VAL A 61 15.268 -5.935 1.448 1.00 0.00 C ATOM 650 O VAL A 61 16.144 -6.792 1.606 1.00 0.00 O ATOM 651 CB VAL A 61 13.402 -6.543 -0.204 1.00 0.00 C ATOM 652 CG1 VAL A 61 12.722 -5.993 -1.468 1.00 0.00 C ATOM 653 CG2 VAL A 61 13.635 -8.059 -0.320 1.00 0.00 C ATOM 0 H VAL A 61 15.775 -7.115 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 61 14.412 -4.668 -0.018 1.00 0.00 H new ATOM 0 HB VAL A 61 12.760 -6.431 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.813 -6.560 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.469 -4.944 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.401 -6.084 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.684 -8.561 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.313 -8.261 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.074 -8.432 0.606 1.00 0.00 H new ATOM 663 N PRO A 62 14.812 -5.184 2.468 1.00 0.00 N ATOM 664 CA PRO A 62 15.384 -5.233 3.807 1.00 0.00 C ATOM 665 C PRO A 62 15.085 -6.569 4.491 1.00 0.00 C ATOM 666 O PRO A 62 14.422 -7.445 3.931 1.00 0.00 O ATOM 667 CB PRO A 62 14.823 -4.006 4.541 1.00 0.00 C ATOM 668 CG PRO A 62 13.523 -3.688 3.807 1.00 0.00 C ATOM 669 CD PRO A 62 13.785 -4.162 2.380 1.00 0.00 C ATOM 0 HA PRO A 62 16.473 -5.187 3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.643 -4.221 5.594 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.518 -3.167 4.501 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.675 -4.208 4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.296 -2.622 3.839 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.876 -4.563 1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.113 -3.335 1.750 1.00 0.00 H new ATOM 677 N ALA A 63 15.588 -6.758 5.709 1.00 0.00 N ATOM 678 CA ALA A 63 15.204 -7.902 6.515 1.00 0.00 C ATOM 679 C ALA A 63 13.861 -7.619 7.189 1.00 0.00 C ATOM 680 O ALA A 63 13.488 -6.457 7.398 1.00 0.00 O ATOM 681 CB ALA A 63 16.287 -8.182 7.553 1.00 0.00 C ATOM 0 H ALA A 63 16.260 -6.133 6.154 1.00 0.00 H new ATOM 0 HA ALA A 63 15.097 -8.784 5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.998 -9.041 8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.229 -8.395 7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.409 -7.310 8.196 1.00 0.00 H new ATOM 687 N GLY A 64 13.166 -8.670 7.622 1.00 0.00 N ATOM 688 CA GLY A 64 11.904 -8.532 8.338 1.00 0.00 C ATOM 689 C GLY A 64 10.773 -8.056 7.425 1.00 0.00 C ATOM 690 O GLY A 64 9.925 -7.270 7.862 1.00 0.00 O ATOM 0 H GLY A 64 13.463 -9.636 7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.633 -9.490 8.781 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.029 -7.825 9.158 1.00 0.00 H new ATOM 694 N VAL A 65 10.799 -8.469 6.155 1.00 0.00 N ATOM 695 CA VAL A 65 9.780 -8.194 5.142 1.00 0.00 C ATOM 696 C VAL A 65 9.653 -9.385 4.170 1.00 0.00 C ATOM 697 O VAL A 65 9.239 -9.187 3.039 1.00 0.00 O ATOM 698 CB VAL A 65 10.080 -6.867 4.388 1.00 0.00 C ATOM 699 CG1 VAL A 65 9.819 -5.611 5.229 1.00 0.00 C ATOM 700 CG2 VAL A 65 11.503 -6.798 3.845 1.00 0.00 C ATOM 0 H VAL A 65 11.568 -9.031 5.789 1.00 0.00 H new ATOM 0 HA VAL A 65 8.821 -8.067 5.644 1.00 0.00 H new ATOM 0 HB VAL A 65 9.378 -6.880 3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.050 -4.724 4.639 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.771 -5.585 5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.450 -5.630 6.117 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.650 -5.849 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.211 -6.877 4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.666 -7.619 3.147 1.00 0.00 H new ATOM 710 N ASP A 66 9.995 -10.619 4.559 1.00 0.00 N ATOM 711 CA ASP A 66 10.239 -11.808 3.703 1.00 0.00 C ATOM 712 C ASP A 66 9.090 -12.242 2.783 1.00 0.00 C ATOM 713 O ASP A 66 9.226 -13.171 1.995 1.00 0.00 O ATOM 714 CB ASP A 66 10.587 -12.984 4.629 1.00 0.00 C ATOM 715 CG ASP A 66 11.637 -13.939 4.061 1.00 0.00 C ATOM 716 OD1 ASP A 66 12.842 -13.690 4.303 1.00 0.00 O ATOM 717 OD2 ASP A 66 11.290 -14.955 3.426 1.00 0.00 O ATOM 0 H ASP A 66 10.120 -10.839 5.547 1.00 0.00 H new ATOM 0 HA ASP A 66 11.042 -11.518 3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.947 -12.590 5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.678 -13.546 4.841 1.00 0.00 H new ATOM 722 N ASP A 67 7.942 -11.595 2.896 1.00 0.00 N ATOM 723 CA ASP A 67 6.711 -11.836 2.138 1.00 0.00 C ATOM 724 C ASP A 67 5.832 -10.573 2.152 1.00 0.00 C ATOM 725 O ASP A 67 4.634 -10.633 1.890 1.00 0.00 O ATOM 726 CB ASP A 67 5.982 -13.039 2.757 1.00 0.00 C ATOM 727 CG ASP A 67 4.699 -13.453 2.033 1.00 0.00 C ATOM 728 OD1 ASP A 67 4.620 -13.410 0.786 1.00 0.00 O ATOM 729 OD2 ASP A 67 3.769 -13.917 2.730 1.00 0.00 O ATOM 0 H ASP A 67 7.831 -10.833 3.565 1.00 0.00 H new ATOM 0 HA ASP A 67 6.941 -12.063 1.097 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.663 -13.890 2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.738 -12.805 3.793 1.00 0.00 H new ATOM 734 N TYR A 68 6.397 -9.415 2.515 1.00 0.00 N ATOM 735 CA TYR A 68 5.665 -8.162 2.601 1.00 0.00 C ATOM 736 C TYR A 68 5.698 -7.539 1.213 1.00 0.00 C ATOM 737 O TYR A 68 6.715 -6.964 0.834 1.00 0.00 O ATOM 738 CB TYR A 68 6.324 -7.203 3.600 1.00 0.00 C ATOM 739 CG TYR A 68 5.967 -7.396 5.062 1.00 0.00 C ATOM 740 CD1 TYR A 68 6.084 -8.656 5.684 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.442 -6.311 5.790 1.00 0.00 C ATOM 742 CE1 TYR A 68 5.703 -8.826 7.025 1.00 0.00 C ATOM 743 CE2 TYR A 68 5.025 -6.480 7.120 1.00 0.00 C ATOM 744 CZ TYR A 68 5.166 -7.740 7.750 1.00 0.00 C ATOM 745 OH TYR A 68 4.762 -7.907 9.036 1.00 0.00 O ATOM 0 H TYR A 68 7.384 -9.329 2.758 1.00 0.00 H new ATOM 0 HA TYR A 68 4.646 -8.346 2.942 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.405 -7.295 3.498 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.063 -6.183 3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.469 -9.496 5.125 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.359 -5.341 5.322 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.821 -9.788 7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.597 -5.650 7.662 1.00 0.00 H new ATOM 0 HH TYR A 68 5.301 -8.607 9.460 1.00 0.00 H new ATOM 755 N SER A 69 4.629 -7.655 0.438 1.00 0.00 N ATOM 756 CA SER A 69 4.532 -6.994 -0.852 1.00 0.00 C ATOM 757 C SER A 69 4.815 -5.488 -0.697 1.00 0.00 C ATOM 758 O SER A 69 4.509 -4.896 0.345 1.00 0.00 O ATOM 759 CB SER A 69 3.147 -7.255 -1.454 1.00 0.00 C ATOM 760 OG SER A 69 2.450 -8.347 -0.868 1.00 0.00 O ATOM 0 H SER A 69 3.809 -8.208 0.686 1.00 0.00 H new ATOM 0 HA SER A 69 5.280 -7.398 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.542 -6.354 -1.348 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.257 -7.441 -2.522 1.00 0.00 H new ATOM 0 HG SER A 69 1.871 -8.764 -1.540 1.00 0.00 H new ATOM 766 N TYR A 70 5.389 -4.860 -1.726 1.00 0.00 N ATOM 767 CA TYR A 70 5.735 -3.444 -1.738 1.00 0.00 C ATOM 768 C TYR A 70 5.076 -2.725 -2.907 1.00 0.00 C ATOM 769 O TYR A 70 4.553 -3.347 -3.834 1.00 0.00 O ATOM 770 CB TYR A 70 7.261 -3.232 -1.719 1.00 0.00 C ATOM 771 CG TYR A 70 8.018 -3.638 -2.975 1.00 0.00 C ATOM 772 CD1 TYR A 70 8.475 -4.961 -3.129 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.372 -2.664 -3.931 1.00 0.00 C ATOM 774 CE1 TYR A 70 9.287 -5.306 -4.226 1.00 0.00 C ATOM 775 CE2 TYR A 70 9.188 -3.005 -5.024 1.00 0.00 C ATOM 776 CZ TYR A 70 9.638 -4.332 -5.188 1.00 0.00 C ATOM 777 OH TYR A 70 10.422 -4.671 -6.248 1.00 0.00 O ATOM 0 H TYR A 70 5.631 -5.338 -2.594 1.00 0.00 H new ATOM 0 HA TYR A 70 5.343 -3.001 -0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.457 -2.177 -1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.673 -3.789 -0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.202 -5.713 -2.404 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.014 -1.651 -3.823 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.643 -6.320 -4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.471 -2.248 -5.741 1.00 0.00 H new ATOM 0 HH TYR A 70 10.566 -3.884 -6.813 1.00 0.00 H new ATOM 787 N LEU A 71 5.113 -1.398 -2.835 1.00 0.00 N ATOM 788 CA LEU A 71 4.635 -0.446 -3.818 1.00 0.00 C ATOM 789 C LEU A 71 5.721 0.616 -3.909 1.00 0.00 C ATOM 790 O LEU A 71 6.171 1.112 -2.870 1.00 0.00 O ATOM 791 CB LEU A 71 3.315 0.183 -3.336 1.00 0.00 C ATOM 792 CG LEU A 71 2.085 -0.729 -3.495 1.00 0.00 C ATOM 793 CD1 LEU A 71 0.949 -0.217 -2.605 1.00 0.00 C ATOM 794 CD2 LEU A 71 1.603 -0.812 -4.942 1.00 0.00 C ATOM 0 H LEU A 71 5.511 -0.929 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 71 4.442 -0.912 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.418 0.455 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.142 1.106 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 71 2.382 -1.733 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.079 -0.863 -2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.272 -0.222 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.687 0.799 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.734 -1.467 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.330 0.184 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.400 -1.211 -5.569 1.00 0.00 H new ATOM 806 N VAL A 72 6.154 0.953 -5.119 1.00 0.00 N ATOM 807 CA VAL A 72 7.131 2.006 -5.370 1.00 0.00 C ATOM 808 C VAL A 72 6.807 2.614 -6.738 1.00 0.00 C ATOM 809 O VAL A 72 6.233 1.925 -7.585 1.00 0.00 O ATOM 810 CB VAL A 72 8.554 1.413 -5.248 1.00 0.00 C ATOM 811 CG1 VAL A 72 8.995 0.568 -6.450 1.00 0.00 C ATOM 812 CG2 VAL A 72 9.576 2.514 -4.980 1.00 0.00 C ATOM 0 H VAL A 72 5.829 0.493 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 72 7.087 2.813 -4.639 1.00 0.00 H new ATOM 0 HB VAL A 72 8.508 0.729 -4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.004 0.192 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.311 -0.272 -6.575 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.984 1.182 -7.350 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.570 2.075 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.563 3.231 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.326 3.024 -4.049 1.00 0.00 H new ATOM 822 N ALA A 73 7.122 3.889 -6.984 1.00 0.00 N ATOM 823 CA ALA A 73 6.893 4.466 -8.303 1.00 0.00 C ATOM 824 C ALA A 73 8.106 4.180 -9.189 1.00 0.00 C ATOM 825 O ALA A 73 9.248 4.224 -8.731 1.00 0.00 O ATOM 826 CB ALA A 73 6.577 5.959 -8.200 1.00 0.00 C ATOM 0 H ALA A 73 7.528 4.527 -6.300 1.00 0.00 H new ATOM 0 HA ALA A 73 6.020 4.004 -8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.410 6.365 -9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.681 6.100 -7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.415 6.477 -7.733 1.00 0.00 H new ATOM 832 N ALA A 74 7.849 3.934 -10.474 1.00 0.00 N ATOM 833 CA ALA A 74 8.771 3.471 -11.508 1.00 0.00 C ATOM 834 C ALA A 74 9.955 4.403 -11.769 1.00 0.00 C ATOM 835 O ALA A 74 10.862 4.019 -12.507 1.00 0.00 O ATOM 836 CB ALA A 74 7.987 3.319 -12.820 1.00 0.00 C ATOM 0 H ALA A 74 6.909 4.065 -10.849 1.00 0.00 H new ATOM 0 HA ALA A 74 9.188 2.531 -11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.658 2.974 -13.607 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.185 2.594 -12.683 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.561 4.282 -13.103 1.00 0.00 H new ATOM 842 N ASP A 75 9.932 5.610 -11.210 1.00 0.00 N ATOM 843 CA ASP A 75 10.929 6.653 -11.437 1.00 0.00 C ATOM 844 C ASP A 75 11.413 7.266 -10.121 1.00 0.00 C ATOM 845 O ASP A 75 12.133 8.256 -10.120 1.00 0.00 O ATOM 846 CB ASP A 75 10.359 7.732 -12.376 1.00 0.00 C ATOM 847 CG ASP A 75 11.284 7.985 -13.563 1.00 0.00 C ATOM 848 OD1 ASP A 75 12.519 8.106 -13.396 1.00 0.00 O ATOM 849 OD2 ASP A 75 10.786 8.000 -14.709 1.00 0.00 O ATOM 0 H ASP A 75 9.196 5.899 -10.566 1.00 0.00 H new ATOM 0 HA ASP A 75 11.796 6.197 -11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.379 7.421 -12.737 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.215 8.659 -11.821 1.00 0.00 H new ATOM 854 N ASP A 76 11.001 6.701 -8.987 1.00 0.00 N ATOM 855 CA ASP A 76 11.316 7.155 -7.630 1.00 0.00 C ATOM 856 C ASP A 76 11.708 5.911 -6.813 1.00 0.00 C ATOM 857 O ASP A 76 11.415 5.794 -5.624 1.00 0.00 O ATOM 858 CB ASP A 76 10.084 7.917 -7.107 1.00 0.00 C ATOM 859 CG ASP A 76 10.208 8.526 -5.705 1.00 0.00 C ATOM 860 OD1 ASP A 76 10.957 9.512 -5.525 1.00 0.00 O ATOM 861 OD2 ASP A 76 9.466 8.082 -4.795 1.00 0.00 O ATOM 0 H ASP A 76 10.408 5.871 -8.988 1.00 0.00 H new ATOM 0 HA ASP A 76 12.158 7.845 -7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.854 8.718 -7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.233 7.236 -7.110 1.00 0.00 H new ATOM 866 N GLN A 77 12.316 4.927 -7.493 1.00 0.00 N ATOM 867 CA GLN A 77 12.521 3.560 -7.008 1.00 0.00 C ATOM 868 C GLN A 77 13.509 3.478 -5.841 1.00 0.00 C ATOM 869 O GLN A 77 13.511 2.485 -5.117 1.00 0.00 O ATOM 870 CB GLN A 77 12.990 2.642 -8.148 1.00 0.00 C ATOM 871 CG GLN A 77 12.035 2.638 -9.351 1.00 0.00 C ATOM 872 CD GLN A 77 12.426 1.592 -10.391 1.00 0.00 C ATOM 873 OE1 GLN A 77 13.384 1.754 -11.144 1.00 0.00 O ATOM 874 NE2 GLN A 77 11.700 0.489 -10.459 1.00 0.00 N ATOM 0 H GLN A 77 12.691 5.070 -8.431 1.00 0.00 H new ATOM 0 HA GLN A 77 11.553 3.223 -6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 77 13.979 2.959 -8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.091 1.625 -7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.019 2.444 -9.006 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.031 3.625 -9.814 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.906 0.361 -9.831 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.934 -0.234 -11.139 1.00 0.00 H new ATOM 883 N ASP A 78 14.329 4.511 -5.656 1.00 0.00 N ATOM 884 CA ASP A 78 15.273 4.689 -4.551 1.00 0.00 C ATOM 885 C ASP A 78 14.920 5.968 -3.777 1.00 0.00 C ATOM 886 O ASP A 78 15.771 6.555 -3.104 1.00 0.00 O ATOM 887 CB ASP A 78 16.716 4.704 -5.099 1.00 0.00 C ATOM 888 CG ASP A 78 17.677 3.785 -4.343 1.00 0.00 C ATOM 889 OD1 ASP A 78 17.512 3.498 -3.137 1.00 0.00 O ATOM 890 OD2 ASP A 78 18.555 3.203 -5.020 1.00 0.00 O ATOM 0 H ASP A 78 14.355 5.293 -6.311 1.00 0.00 H new ATOM 0 HA ASP A 78 15.203 3.856 -3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 78 16.698 4.410 -6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.098 5.724 -5.060 1.00 0.00 H new ATOM 895 N GLY A 79 13.677 6.446 -3.905 1.00 0.00 N ATOM 896 CA GLY A 79 13.148 7.657 -3.297 1.00 0.00 C ATOM 897 C GLY A 79 12.195 7.284 -2.167 1.00 0.00 C ATOM 898 O GLY A 79 12.654 6.977 -1.061 1.00 0.00 O ATOM 0 H GLY A 79 12.978 5.964 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.963 8.270 -2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.626 8.254 -4.045 1.00 0.00 H new ATOM 902 N THR A 80 10.887 7.287 -2.426 1.00 0.00 N ATOM 903 CA THR A 80 9.860 6.741 -1.533 1.00 0.00 C ATOM 904 C THR A 80 9.913 5.200 -1.607 1.00 0.00 C ATOM 905 O THR A 80 10.462 4.656 -2.563 1.00 0.00 O ATOM 906 CB THR A 80 8.465 7.280 -1.941 1.00 0.00 C ATOM 907 OG1 THR A 80 8.559 8.614 -2.420 1.00 0.00 O ATOM 908 CG2 THR A 80 7.482 7.280 -0.760 1.00 0.00 C ATOM 0 H THR A 80 10.501 7.679 -3.285 1.00 0.00 H new ATOM 0 HA THR A 80 10.045 7.052 -0.505 1.00 0.00 H new ATOM 0 HB THR A 80 8.098 6.615 -2.722 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.504 8.615 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.517 7.665 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.359 6.262 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.872 7.912 0.038 1.00 0.00 H new ATOM 916 N ILE A 81 9.335 4.475 -0.638 1.00 0.00 N ATOM 917 CA ILE A 81 8.823 3.115 -0.833 1.00 0.00 C ATOM 918 C ILE A 81 7.849 2.790 0.299 1.00 0.00 C ATOM 919 O ILE A 81 7.972 3.343 1.401 1.00 0.00 O ATOM 920 CB ILE A 81 9.965 2.065 -0.921 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.408 0.674 -1.291 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.791 1.945 0.372 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.422 -0.168 -2.070 1.00 0.00 C ATOM 0 H ILE A 81 9.210 4.822 0.313 1.00 0.00 H new ATOM 0 HA ILE A 81 8.300 3.069 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 81 10.631 2.427 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.122 0.146 -0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.504 0.794 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.570 1.194 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.250 2.907 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.139 1.649 1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.984 -1.137 -2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.688 0.346 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.317 -0.313 -1.464 1.00 0.00 H new ATOM 935 N ILE A 82 6.912 1.868 0.059 1.00 0.00 N ATOM 936 CA ILE A 82 5.977 1.400 1.068 1.00 0.00 C ATOM 937 C ILE A 82 5.830 -0.126 0.931 1.00 0.00 C ATOM 938 O ILE A 82 5.946 -0.673 -0.162 1.00 0.00 O ATOM 939 CB ILE A 82 4.631 2.175 0.962 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.791 3.675 0.586 1.00 0.00 C ATOM 941 CG2 ILE A 82 3.909 2.117 2.318 1.00 0.00 C ATOM 942 CD1 ILE A 82 3.487 4.472 0.497 1.00 0.00 C ATOM 0 H ILE A 82 6.786 1.426 -0.852 1.00 0.00 H new ATOM 0 HA ILE A 82 6.350 1.602 2.072 1.00 0.00 H new ATOM 0 HB ILE A 82 4.069 1.691 0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.438 4.150 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.302 3.739 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.965 2.658 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.714 1.078 2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.536 2.574 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.709 5.505 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.842 4.031 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.980 4.448 1.461 1.00 0.00 H new ATOM 954 N PHE A 83 5.601 -0.823 2.047 1.00 0.00 N ATOM 955 CA PHE A 83 5.528 -2.278 2.200 1.00 0.00 C ATOM 956 C PHE A 83 4.286 -2.620 3.035 1.00 0.00 C ATOM 957 O PHE A 83 3.823 -1.793 3.828 1.00 0.00 O ATOM 958 CB PHE A 83 6.783 -2.775 2.945 1.00 0.00 C ATOM 959 CG PHE A 83 8.098 -2.782 2.189 1.00 0.00 C ATOM 960 CD1 PHE A 83 8.863 -1.604 2.098 1.00 0.00 C ATOM 961 CD2 PHE A 83 8.617 -3.989 1.679 1.00 0.00 C ATOM 962 CE1 PHE A 83 10.153 -1.640 1.541 1.00 0.00 C ATOM 963 CE2 PHE A 83 9.907 -4.018 1.119 1.00 0.00 C ATOM 964 CZ PHE A 83 10.680 -2.848 1.061 1.00 0.00 C ATOM 0 H PHE A 83 5.450 -0.347 2.936 1.00 0.00 H new ATOM 0 HA PHE A 83 5.470 -2.754 1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.911 -2.158 3.834 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.588 -3.791 3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.458 -0.670 2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.025 -4.891 1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.740 -0.735 1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.304 -4.945 0.732 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.677 -2.878 0.648 1.00 0.00 H new ATOM 974 N PHE A 84 3.739 -3.834 2.928 1.00 0.00 N ATOM 975 CA PHE A 84 2.621 -4.281 3.764 1.00 0.00 C ATOM 976 C PHE A 84 2.482 -5.809 3.733 1.00 0.00 C ATOM 977 O PHE A 84 2.943 -6.447 2.786 1.00 0.00 O ATOM 978 CB PHE A 84 1.314 -3.615 3.292 1.00 0.00 C ATOM 979 CG PHE A 84 0.925 -3.911 1.853 1.00 0.00 C ATOM 980 CD1 PHE A 84 1.573 -3.271 0.774 1.00 0.00 C ATOM 981 CD2 PHE A 84 -0.094 -4.844 1.593 1.00 0.00 C ATOM 982 CE1 PHE A 84 1.223 -3.586 -0.551 1.00 0.00 C ATOM 983 CE2 PHE A 84 -0.448 -5.146 0.270 1.00 0.00 C ATOM 984 CZ PHE A 84 0.212 -4.527 -0.804 1.00 0.00 C ATOM 0 H PHE A 84 4.059 -4.535 2.259 1.00 0.00 H new ATOM 0 HA PHE A 84 2.823 -3.984 4.793 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.503 -3.937 3.945 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.410 -2.536 3.412 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.341 -2.536 0.967 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.604 -5.328 2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.731 -3.105 -1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.234 -5.860 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.057 -4.774 -1.820 1.00 0.00 H new ATOM 994 N LYS A 85 1.810 -6.398 4.732 1.00 0.00 N ATOM 995 CA LYS A 85 1.518 -7.835 4.817 1.00 0.00 C ATOM 996 C LYS A 85 0.200 -8.052 5.538 1.00 0.00 C ATOM 997 O LYS A 85 0.098 -7.713 6.719 1.00 0.00 O ATOM 998 CB LYS A 85 2.653 -8.535 5.576 1.00 0.00 C ATOM 999 CG LYS A 85 2.574 -10.064 5.727 1.00 0.00 C ATOM 1000 CD LYS A 85 2.666 -10.833 4.399 1.00 0.00 C ATOM 1001 CE LYS A 85 1.387 -11.632 4.096 1.00 0.00 C ATOM 1002 NZ LYS A 85 1.591 -13.095 4.174 1.00 0.00 N ATOM 0 H LYS A 85 1.444 -5.872 5.526 1.00 0.00 H new ATOM 0 HA LYS A 85 1.441 -8.252 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.590 -8.295 5.074 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.706 -8.101 6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.379 -10.395 6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.636 -10.321 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.853 -10.130 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.517 -11.513 4.434 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.607 -11.341 4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.030 -11.373 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.767 -13.583 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.445 -13.355 3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.705 -13.377 5.169 1.00 0.00 H new ATOM 1016 N ALA A 86 -0.801 -8.600 4.849 1.00 0.00 N ATOM 1017 CA ALA A 86 -2.015 -9.111 5.460 1.00 0.00 C ATOM 1018 C ALA A 86 -1.696 -10.379 6.240 1.00 0.00 C ATOM 1019 O ALA A 86 -1.680 -11.472 5.673 1.00 0.00 O ATOM 1020 CB ALA A 86 -3.095 -9.376 4.405 1.00 0.00 C ATOM 0 H ALA A 86 -0.785 -8.700 3.834 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.407 -8.360 6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.993 -9.758 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.331 -8.448 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.730 -10.111 3.688 1.00 0.00 H new ATOM 1026 N GLU A 87 -1.494 -10.239 7.548 1.00 0.00 N ATOM 1027 CA GLU A 87 -1.531 -11.380 8.453 1.00 0.00 C ATOM 1028 C GLU A 87 -2.930 -12.009 8.490 1.00 0.00 C ATOM 1029 O GLU A 87 -3.050 -13.167 8.886 1.00 0.00 O ATOM 1030 CB GLU A 87 -1.065 -10.972 9.865 1.00 0.00 C ATOM 1031 CG GLU A 87 0.431 -11.249 10.078 1.00 0.00 C ATOM 1032 CD GLU A 87 0.712 -12.754 10.191 1.00 0.00 C ATOM 1033 OE1 GLU A 87 0.798 -13.443 9.155 1.00 0.00 O ATOM 1034 OE2 GLU A 87 0.782 -13.269 11.330 1.00 0.00 O ATOM 0 H GLU A 87 -1.303 -9.346 8.003 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.840 -12.134 8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.263 -9.911 10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.645 -11.517 10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.001 -10.832 9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.771 -10.745 10.983 1.00 0.00 H new ATOM 1041 N GLY A 88 -3.965 -11.295 8.031 1.00 0.00 N ATOM 1042 CA GLY A 88 -5.333 -11.778 7.920 1.00 0.00 C ATOM 1043 C GLY A 88 -6.128 -11.242 9.098 1.00 0.00 C ATOM 1044 O GLY A 88 -5.717 -11.420 10.241 1.00 0.00 O ATOM 0 H GLY A 88 -3.861 -10.330 7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.777 -11.447 6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.351 -12.868 7.915 1.00 0.00 H new ATOM 1048 N GLN A 89 -7.216 -10.513 8.830 1.00 0.00 N ATOM 1049 CA GLN A 89 -7.896 -9.597 9.760 1.00 0.00 C ATOM 1050 C GLN A 89 -7.001 -8.447 10.258 1.00 0.00 C ATOM 1051 O GLN A 89 -7.522 -7.526 10.884 1.00 0.00 O ATOM 1052 CB GLN A 89 -8.553 -10.322 10.952 1.00 0.00 C ATOM 1053 CG GLN A 89 -9.360 -11.589 10.619 1.00 0.00 C ATOM 1054 CD GLN A 89 -10.560 -11.279 9.729 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -11.522 -10.652 10.166 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -10.547 -11.676 8.465 1.00 0.00 N ATOM 0 H GLN A 89 -7.670 -10.545 7.917 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.691 -9.152 9.162 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.771 -10.591 11.662 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.214 -9.618 11.458 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.714 -12.311 10.119 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.703 -12.055 11.543 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.748 -12.197 8.102 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.336 -11.461 7.855 1.00 0.00 H new ATOM 1065 N THR A 90 -5.706 -8.449 9.948 1.00 0.00 N ATOM 1066 CA THR A 90 -4.700 -7.455 10.286 1.00 0.00 C ATOM 1067 C THR A 90 -3.774 -7.294 9.077 1.00 0.00 C ATOM 1068 O THR A 90 -3.491 -8.279 8.384 1.00 0.00 O ATOM 1069 CB THR A 90 -3.870 -7.879 11.524 1.00 0.00 C ATOM 1070 OG1 THR A 90 -4.397 -8.984 12.241 1.00 0.00 O ATOM 1071 CG2 THR A 90 -3.664 -6.705 12.484 1.00 0.00 C ATOM 0 H THR A 90 -5.303 -9.214 9.407 1.00 0.00 H new ATOM 0 HA THR A 90 -5.195 -6.515 10.532 1.00 0.00 H new ATOM 0 HB THR A 90 -2.915 -8.203 11.111 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.815 -9.187 13.003 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.078 -7.035 13.342 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.134 -5.903 11.970 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.633 -6.340 12.825 1.00 0.00 H new ATOM 1079 N VAL A 91 -3.266 -6.082 8.845 1.00 0.00 N ATOM 1080 CA VAL A 91 -2.255 -5.764 7.846 1.00 0.00 C ATOM 1081 C VAL A 91 -1.225 -4.903 8.564 1.00 0.00 C ATOM 1082 O VAL A 91 -1.524 -3.789 9.013 1.00 0.00 O ATOM 1083 CB VAL A 91 -2.847 -5.080 6.594 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -1.773 -4.454 5.686 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -3.666 -6.044 5.722 1.00 0.00 C ATOM 0 H VAL A 91 -3.564 -5.262 9.374 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.796 -6.669 7.448 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.491 -4.300 7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.251 -3.989 4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.219 -3.699 6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.087 -5.230 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.057 -5.509 4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.028 -6.861 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.494 -6.447 6.305 1.00 0.00 H new ATOM 1095 N ILE A 92 -0.016 -5.434 8.700 1.00 0.00 N ATOM 1096 CA ILE A 92 1.127 -4.702 9.190 1.00 0.00 C ATOM 1097 C ILE A 92 1.609 -3.893 7.987 1.00 0.00 C ATOM 1098 O ILE A 92 2.160 -4.450 7.038 1.00 0.00 O ATOM 1099 CB ILE A 92 2.188 -5.673 9.746 1.00 0.00 C ATOM 1100 CG1 ILE A 92 1.678 -6.536 10.927 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.396 -4.867 10.266 1.00 0.00 C ATOM 1102 CD1 ILE A 92 0.658 -7.637 10.601 1.00 0.00 C ATOM 0 H ILE A 92 0.193 -6.405 8.466 1.00 0.00 H new ATOM 0 HA ILE A 92 0.897 -4.040 10.025 1.00 0.00 H new ATOM 0 HB ILE A 92 2.449 -6.337 8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.541 -7.004 11.401 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.232 -5.869 11.665 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.148 -5.551 10.660 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.825 -4.287 9.449 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.070 -4.192 11.057 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.386 -8.164 11.516 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.233 -7.189 10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.096 -8.341 9.894 1.00 0.00 H new ATOM 1114 N ILE A 93 1.346 -2.590 7.989 1.00 0.00 N ATOM 1115 CA ILE A 93 1.933 -1.661 7.038 1.00 0.00 C ATOM 1116 C ILE A 93 3.372 -1.407 7.513 1.00 0.00 C ATOM 1117 O ILE A 93 3.610 -1.276 8.720 1.00 0.00 O ATOM 1118 CB ILE A 93 1.119 -0.342 6.957 1.00 0.00 C ATOM 1119 CG1 ILE A 93 -0.420 -0.508 7.106 1.00 0.00 C ATOM 1120 CG2 ILE A 93 1.445 0.296 5.600 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -1.220 0.794 6.942 1.00 0.00 C ATOM 0 H ILE A 93 0.714 -2.149 8.657 1.00 0.00 H new ATOM 0 HA ILE A 93 1.924 -2.077 6.030 1.00 0.00 H new ATOM 0 HB ILE A 93 1.410 0.280 7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.768 -1.229 6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.634 -0.930 8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.894 1.231 5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.515 0.497 5.540 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.158 -0.386 4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.283 0.585 7.061 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.904 1.513 7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.041 1.209 5.950 1.00 0.00 H new ATOM 1133 N LYS A 94 4.339 -1.283 6.600 1.00 0.00 N ATOM 1134 CA LYS A 94 5.715 -0.869 6.887 1.00 0.00 C ATOM 1135 C LYS A 94 6.118 0.215 5.885 1.00 0.00 C ATOM 1136 O LYS A 94 6.022 -0.009 4.685 1.00 0.00 O ATOM 1137 CB LYS A 94 6.652 -2.089 6.862 1.00 0.00 C ATOM 1138 CG LYS A 94 6.383 -3.047 8.035 1.00 0.00 C ATOM 1139 CD LYS A 94 7.450 -4.141 8.157 1.00 0.00 C ATOM 1140 CE LYS A 94 7.105 -5.075 9.324 1.00 0.00 C ATOM 1141 NZ LYS A 94 8.211 -5.991 9.667 1.00 0.00 N ATOM 0 H LYS A 94 4.181 -1.474 5.611 1.00 0.00 H new ATOM 0 HA LYS A 94 5.792 -0.445 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.525 -2.624 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.688 -1.751 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.344 -2.477 8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.405 -3.511 7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.509 -4.710 7.229 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.429 -3.690 8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.849 -4.477 10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.221 -5.659 9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.835 -6.810 10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.675 -6.317 8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.903 -5.492 10.261 1.00 0.00 H new ATOM 1155 N TYR A 95 6.539 1.400 6.329 1.00 0.00 N ATOM 1156 CA TYR A 95 6.863 2.520 5.434 1.00 0.00 C ATOM 1157 C TYR A 95 8.070 3.297 5.942 1.00 0.00 C ATOM 1158 O TYR A 95 8.498 3.076 7.073 1.00 0.00 O ATOM 1159 CB TYR A 95 5.637 3.422 5.317 1.00 0.00 C ATOM 1160 CG TYR A 95 5.117 3.960 6.631 1.00 0.00 C ATOM 1161 CD1 TYR A 95 5.655 5.118 7.216 1.00 0.00 C ATOM 1162 CD2 TYR A 95 4.114 3.241 7.295 1.00 0.00 C ATOM 1163 CE1 TYR A 95 5.201 5.558 8.476 1.00 0.00 C ATOM 1164 CE2 TYR A 95 3.662 3.672 8.551 1.00 0.00 C ATOM 1165 CZ TYR A 95 4.176 4.845 9.139 1.00 0.00 C ATOM 1166 OH TYR A 95 3.696 5.250 10.347 1.00 0.00 O ATOM 0 H TYR A 95 6.666 1.614 7.318 1.00 0.00 H new ATOM 0 HA TYR A 95 7.126 2.134 4.449 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.883 4.263 4.668 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.839 2.864 4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.421 5.675 6.697 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.690 2.357 6.841 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.634 6.436 8.933 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.911 3.098 9.074 1.00 0.00 H new ATOM 0 HH TYR A 95 2.994 4.634 10.643 1.00 0.00 H new ATOM 1176 N THR A 96 8.646 4.164 5.111 1.00 0.00 N ATOM 1177 CA THR A 96 9.898 4.866 5.384 1.00 0.00 C ATOM 1178 C THR A 96 9.925 6.180 4.591 1.00 0.00 C ATOM 1179 O THR A 96 8.993 6.479 3.835 1.00 0.00 O ATOM 1180 CB THR A 96 11.069 3.901 5.104 1.00 0.00 C ATOM 1181 OG1 THR A 96 12.275 4.517 5.482 1.00 0.00 O ATOM 1182 CG2 THR A 96 11.123 3.385 3.663 1.00 0.00 C ATOM 0 H THR A 96 8.244 4.404 4.205 1.00 0.00 H new ATOM 0 HA THR A 96 9.993 5.161 6.429 1.00 0.00 H new ATOM 0 HB THR A 96 10.904 3.008 5.707 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.980 4.275 4.845 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.974 2.713 3.549 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.203 2.847 3.434 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.231 4.227 2.979 1.00 0.00 H new ATOM 1190 N SER A 97 10.969 6.984 4.797 1.00 0.00 N ATOM 1191 CA SER A 97 11.317 8.109 3.944 1.00 0.00 C ATOM 1192 C SER A 97 12.715 7.951 3.335 1.00 0.00 C ATOM 1193 O SER A 97 13.168 8.862 2.644 1.00 0.00 O ATOM 1194 CB SER A 97 11.111 9.433 4.687 1.00 0.00 C ATOM 1195 OG SER A 97 11.975 9.606 5.798 1.00 0.00 O ATOM 0 H SER A 97 11.608 6.863 5.582 1.00 0.00 H new ATOM 0 HA SER A 97 10.637 8.125 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.261 10.257 3.990 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.078 9.490 5.030 1.00 0.00 H new ATOM 0 HG SER A 97 11.792 10.469 6.224 1.00 0.00 H new ATOM 1201 N GLN A 98 13.394 6.822 3.573 1.00 0.00 N ATOM 1202 CA GLN A 98 14.473 6.365 2.693 1.00 0.00 C ATOM 1203 C GLN A 98 14.343 4.856 2.493 1.00 0.00 C ATOM 1204 O GLN A 98 14.067 4.130 3.451 1.00 0.00 O ATOM 1205 CB GLN A 98 15.876 6.691 3.238 1.00 0.00 C ATOM 1206 CG GLN A 98 16.169 8.188 3.406 1.00 0.00 C ATOM 1207 CD GLN A 98 17.595 8.488 3.885 1.00 0.00 C ATOM 1208 OE1 GLN A 98 18.549 7.738 3.676 1.00 0.00 O ATOM 1209 NE2 GLN A 98 17.799 9.616 4.543 1.00 0.00 N ATOM 0 H GLN A 98 13.214 6.209 4.368 1.00 0.00 H new ATOM 0 HA GLN A 98 14.370 6.898 1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.998 6.201 4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.620 6.263 2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.002 8.691 2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.460 8.610 4.118 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.020 10.249 4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.736 9.854 4.869 1.00 0.00 H new ATOM 1218 N ARG A 99 14.611 4.363 1.277 1.00 0.00 N ATOM 1219 CA ARG A 99 14.641 2.928 0.945 1.00 0.00 C ATOM 1220 C ARG A 99 15.525 2.180 1.942 1.00 0.00 C ATOM 1221 O ARG A 99 15.179 1.114 2.455 1.00 0.00 O ATOM 1222 CB ARG A 99 15.177 2.761 -0.498 1.00 0.00 C ATOM 1223 CG ARG A 99 15.041 1.306 -1.005 1.00 0.00 C ATOM 1224 CD ARG A 99 14.778 1.116 -2.511 1.00 0.00 C ATOM 1225 NE ARG A 99 15.982 1.216 -3.358 1.00 0.00 N ATOM 1226 CZ ARG A 99 16.211 0.573 -4.518 1.00 0.00 C ATOM 1227 NH1 ARG A 99 15.300 -0.239 -5.049 1.00 0.00 N ATOM 1228 NH2 ARG A 99 17.361 0.735 -5.164 1.00 0.00 N ATOM 0 H ARG A 99 14.818 4.962 0.477 1.00 0.00 H new ATOM 0 HA ARG A 99 13.636 2.510 1.005 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.633 3.429 -1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 99 16.225 3.060 -0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.956 0.771 -0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.229 0.830 -0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.319 0.140 -2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.055 1.864 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 99 16.720 1.839 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.408 -0.384 -4.576 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.494 -0.717 -5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 99 18.079 1.351 -4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.526 0.244 -6.043 1.00 0.00 H new ATOM 1242 N ASN A 100 16.653 2.812 2.235 1.00 0.00 N ATOM 1243 CA ASN A 100 17.774 2.357 3.032 1.00 0.00 C ATOM 1244 C ASN A 100 17.705 2.812 4.506 1.00 0.00 C ATOM 1245 O ASN A 100 18.758 2.954 5.136 1.00 0.00 O ATOM 1246 CB ASN A 100 19.055 2.813 2.298 1.00 0.00 C ATOM 1247 CG ASN A 100 19.094 4.319 2.114 1.00 0.00 C ATOM 1248 OD1 ASN A 100 18.916 4.859 1.028 1.00 0.00 O ATOM 1249 ND2 ASN A 100 19.185 5.026 3.208 1.00 0.00 N ATOM 0 H ASN A 100 16.818 3.754 1.881 1.00 0.00 H new ATOM 0 HA ASN A 100 17.761 1.270 3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 100 19.931 2.493 2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 100 19.109 2.326 1.324 1.00 0.00 H new ATOM 0 HD21 ASN A 100 19.108 6.042 3.166 1.00 0.00 H new ATOM 0 HD22 ASN A 100 19.333 4.562 4.104 1.00 0.00 H new ATOM 1256 N THR A 101 16.531 3.103 5.079 1.00 0.00 N ATOM 1257 CA THR A 101 16.398 3.330 6.527 1.00 0.00 C ATOM 1258 C THR A 101 15.303 2.418 7.085 1.00 0.00 C ATOM 1259 O THR A 101 14.463 1.907 6.338 1.00 0.00 O ATOM 1260 CB THR A 101 16.182 4.821 6.869 1.00 0.00 C ATOM 1261 OG1 THR A 101 15.023 5.330 6.256 1.00 0.00 O ATOM 1262 CG2 THR A 101 17.380 5.695 6.471 1.00 0.00 C ATOM 0 H THR A 101 15.656 3.187 4.562 1.00 0.00 H new ATOM 0 HA THR A 101 17.336 3.066 7.015 1.00 0.00 H new ATOM 0 HB THR A 101 16.069 4.861 7.952 1.00 0.00 H new ATOM 0 HG1 THR A 101 14.309 4.660 6.298 1.00 0.00 H new ATOM 0 HG21 THR A 101 17.176 6.733 6.733 1.00 0.00 H new ATOM 0 HG22 THR A 101 18.270 5.355 7.000 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.545 5.618 5.396 1.00 0.00 H new ATOM 1270 N LYS A 102 15.317 2.159 8.399 1.00 0.00 N ATOM 1271 CA LYS A 102 14.392 1.217 9.026 1.00 0.00 C ATOM 1272 C LYS A 102 12.960 1.733 8.907 1.00 0.00 C ATOM 1273 O LYS A 102 12.670 2.874 9.289 1.00 0.00 O ATOM 1274 CB LYS A 102 14.808 0.952 10.485 1.00 0.00 C ATOM 1275 CG LYS A 102 13.796 0.151 11.325 1.00 0.00 C ATOM 1276 CD LYS A 102 13.489 -1.281 10.862 1.00 0.00 C ATOM 1277 CE LYS A 102 12.281 -1.805 11.649 1.00 0.00 C ATOM 1278 NZ LYS A 102 11.985 -3.230 11.406 1.00 0.00 N ATOM 0 H LYS A 102 15.968 2.596 9.051 1.00 0.00 H new ATOM 0 HA LYS A 102 14.433 0.260 8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.757 0.416 10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.984 1.910 10.975 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.166 0.105 12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.859 0.708 11.350 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.278 -1.295 9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.354 -1.924 11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.461 -1.657 12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.404 -1.212 11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.158 -3.514 11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.782 -3.375 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.806 -3.807 11.680 1.00 0.00 H new ATOM 1292 N LEU A 103 12.072 0.857 8.440 1.00 0.00 N ATOM 1293 CA LEU A 103 10.638 1.080 8.288 1.00 0.00 C ATOM 1294 C LEU A 103 9.980 1.345 9.649 1.00 0.00 C ATOM 1295 O LEU A 103 10.457 0.894 10.693 1.00 0.00 O ATOM 1296 CB LEU A 103 10.005 -0.167 7.618 1.00 0.00 C ATOM 1297 CG LEU A 103 10.579 -0.509 6.220 1.00 0.00 C ATOM 1298 CD1 LEU A 103 10.596 -2.020 5.966 1.00 0.00 C ATOM 1299 CD2 LEU A 103 9.797 0.177 5.098 1.00 0.00 C ATOM 0 H LEU A 103 12.350 -0.078 8.142 1.00 0.00 H new ATOM 0 HA LEU A 103 10.475 1.958 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.145 -1.026 8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.931 -0.008 7.526 1.00 0.00 H new ATOM 0 HG LEU A 103 11.603 -0.136 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 103 11.005 -2.218 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 103 11.215 -2.509 6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.580 -2.410 6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 103 10.233 -0.090 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.757 -0.148 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.843 1.258 5.230 1.00 0.00 H new ATOM 1311 N LYS A 104 8.877 2.092 9.648 1.00 0.00 N ATOM 1312 CA LYS A 104 7.960 2.271 10.775 1.00 0.00 C ATOM 1313 C LYS A 104 7.129 1.005 10.972 1.00 0.00 C ATOM 1314 O LYS A 104 7.095 0.128 10.099 1.00 0.00 O ATOM 1315 CB LYS A 104 7.022 3.461 10.475 1.00 0.00 C ATOM 1316 CG LYS A 104 7.426 4.771 11.159 1.00 0.00 C ATOM 1317 CD LYS A 104 8.804 5.276 10.731 1.00 0.00 C ATOM 1318 CE LYS A 104 8.950 6.785 10.987 1.00 0.00 C ATOM 1319 NZ LYS A 104 8.942 7.166 12.418 1.00 0.00 N ATOM 0 H LYS A 104 8.584 2.614 8.822 1.00 0.00 H new ATOM 0 HA LYS A 104 8.531 2.468 11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.992 3.622 9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.011 3.199 10.787 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.681 5.535 10.935 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.419 4.626 12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.577 4.736 11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.957 5.068 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.881 7.129 10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.139 7.307 10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.045 8.197 12.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.044 6.871 12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.732 6.698 12.906 1.00 0.00 H new ATOM 1333 N ALA A 105 6.324 0.991 12.034 1.00 0.00 N ATOM 1334 CA ALA A 105 5.288 -0.001 12.285 1.00 0.00 C ATOM 1335 C ALA A 105 3.926 0.700 12.351 1.00 0.00 C ATOM 1336 O ALA A 105 3.778 1.710 13.045 1.00 0.00 O ATOM 1337 CB ALA A 105 5.605 -0.735 13.591 1.00 0.00 C ATOM 0 H ALA A 105 6.380 1.697 12.768 1.00 0.00 H new ATOM 0 HA ALA A 105 5.254 -0.735 11.480 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.834 -1.480 13.786 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.573 -1.229 13.505 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.635 -0.019 14.413 1.00 0.00 H new ATOM 1343 N LYS A 106 2.922 0.169 11.650 1.00 0.00 N ATOM 1344 CA LYS A 106 1.512 0.522 11.771 1.00 0.00 C ATOM 1345 C LYS A 106 0.736 -0.767 11.517 1.00 0.00 C ATOM 1346 O LYS A 106 1.080 -1.474 10.567 1.00 0.00 O ATOM 1347 CB LYS A 106 1.195 1.615 10.739 1.00 0.00 C ATOM 1348 CG LYS A 106 -0.107 2.390 10.974 1.00 0.00 C ATOM 1349 CD LYS A 106 0.094 3.767 11.631 1.00 0.00 C ATOM 1350 CE LYS A 106 -0.271 4.899 10.656 1.00 0.00 C ATOM 1351 NZ LYS A 106 0.183 6.225 11.129 1.00 0.00 N ATOM 0 H LYS A 106 3.082 -0.554 10.949 1.00 0.00 H new ATOM 0 HA LYS A 106 1.245 0.921 12.750 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.022 2.325 10.723 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.150 1.155 9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.615 2.525 10.019 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.766 1.791 11.603 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.523 3.840 12.527 1.00 0.00 H new ATOM 0 HD3 LYS A 106 1.131 3.875 11.948 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.174 4.693 9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.352 4.918 10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.088 6.952 10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.261 6.437 12.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.217 6.219 11.238 1.00 0.00 H new ATOM 1365 N ALA A 107 -0.218 -1.144 12.366 1.00 0.00 N ATOM 1366 CA ALA A 107 -0.819 -2.476 12.337 1.00 0.00 C ATOM 1367 C ALA A 107 -2.312 -2.367 12.598 1.00 0.00 C ATOM 1368 O ALA A 107 -2.738 -2.374 13.751 1.00 0.00 O ATOM 1369 CB ALA A 107 -0.121 -3.376 13.361 1.00 0.00 C ATOM 0 H ALA A 107 -0.596 -0.536 13.092 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.687 -2.928 11.354 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.570 -4.369 13.339 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.939 -3.451 13.117 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.234 -2.949 14.358 1.00 0.00 H new ATOM 1375 N LEU A 108 -3.099 -2.255 11.531 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.537 -2.021 11.598 1.00 0.00 C ATOM 1377 C LEU A 108 -5.271 -3.262 11.100 1.00 0.00 C ATOM 1378 O LEU A 108 -4.662 -4.130 10.469 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.917 -0.804 10.735 1.00 0.00 C ATOM 1380 CG LEU A 108 -4.338 0.573 11.119 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -4.075 0.796 12.612 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -3.071 0.832 10.300 1.00 0.00 C ATOM 0 H LEU A 108 -2.747 -2.326 10.576 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.822 -1.818 12.630 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.616 -1.017 9.709 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.004 -0.720 10.738 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.118 1.296 10.881 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.669 1.796 12.765 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.009 0.695 13.165 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.359 0.056 12.970 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.657 1.804 10.567 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.336 0.055 10.511 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.316 0.822 9.238 1.00 0.00 H new ATOM 1394 N THR A 109 -6.578 -3.334 11.348 1.00 0.00 N ATOM 1395 CA THR A 109 -7.415 -4.439 10.894 1.00 0.00 C ATOM 1396 C THR A 109 -7.908 -4.234 9.469 1.00 0.00 C ATOM 1397 O THR A 109 -7.983 -3.094 8.992 1.00 0.00 O ATOM 1398 CB THR A 109 -8.619 -4.639 11.834 1.00 0.00 C ATOM 1399 OG1 THR A 109 -9.373 -3.453 12.001 1.00 0.00 O ATOM 1400 CG2 THR A 109 -8.171 -5.116 13.211 1.00 0.00 C ATOM 0 H THR A 109 -7.087 -2.622 11.873 1.00 0.00 H new ATOM 0 HA THR A 109 -6.792 -5.333 10.912 1.00 0.00 H new ATOM 0 HB THR A 109 -9.245 -5.395 11.360 1.00 0.00 H new ATOM 0 HG1 THR A 109 -8.965 -2.902 12.701 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.043 -5.248 13.852 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.645 -6.066 13.114 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.504 -4.376 13.653 1.00 0.00 H new ATOM 1408 N LEU A 110 -8.359 -5.319 8.824 1.00 0.00 N ATOM 1409 CA LEU A 110 -8.972 -5.230 7.505 1.00 0.00 C ATOM 1410 C LEU A 110 -10.168 -4.292 7.584 1.00 0.00 C ATOM 1411 O LEU A 110 -10.396 -3.469 6.696 1.00 0.00 O ATOM 1412 CB LEU A 110 -9.424 -6.632 7.054 1.00 0.00 C ATOM 1413 CG LEU A 110 -8.308 -7.559 6.539 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -8.854 -8.969 6.285 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -7.691 -7.049 5.233 1.00 0.00 C ATOM 0 H LEU A 110 -8.308 -6.266 9.200 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.255 -4.843 6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.919 -7.121 7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.169 -6.518 6.266 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.540 -7.576 7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.051 -9.610 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.252 -9.378 7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.647 -8.923 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.909 -7.735 4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.462 -6.989 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.262 -6.060 5.395 1.00 0.00 H new ATOM 1427 N SER A 111 -10.914 -4.404 8.680 1.00 0.00 N ATOM 1428 CA SER A 111 -12.096 -3.621 8.915 1.00 0.00 C ATOM 1429 C SER A 111 -11.758 -2.135 9.118 1.00 0.00 C ATOM 1430 O SER A 111 -12.516 -1.330 8.590 1.00 0.00 O ATOM 1431 CB SER A 111 -12.861 -4.267 10.070 1.00 0.00 C ATOM 1432 OG SER A 111 -14.263 -4.163 9.918 1.00 0.00 O ATOM 0 H SER A 111 -10.700 -5.056 9.435 1.00 0.00 H new ATOM 0 HA SER A 111 -12.749 -3.620 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.584 -5.319 10.142 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.565 -3.795 11.007 1.00 0.00 H new ATOM 0 HG SER A 111 -14.707 -4.592 10.679 1.00 0.00 H new ATOM 1438 N GLN A 112 -10.649 -1.746 9.777 1.00 0.00 N ATOM 1439 CA GLN A 112 -10.150 -0.366 9.813 1.00 0.00 C ATOM 1440 C GLN A 112 -10.062 0.214 8.404 1.00 0.00 C ATOM 1441 O GLN A 112 -10.806 1.138 8.085 1.00 0.00 O ATOM 1442 CB GLN A 112 -8.761 -0.286 10.489 1.00 0.00 C ATOM 1443 CG GLN A 112 -8.780 0.387 11.860 1.00 0.00 C ATOM 1444 CD GLN A 112 -8.775 -0.603 13.012 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -7.936 -1.499 13.087 1.00 0.00 O ATOM 1446 NE2 GLN A 112 -9.733 -0.510 13.908 1.00 0.00 N ATOM 0 H GLN A 112 -10.068 -2.396 10.307 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.858 0.219 10.400 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.360 -1.294 10.595 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -8.080 0.260 9.836 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -7.913 1.042 11.948 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -9.665 1.018 11.936 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -10.425 0.236 13.839 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.784 -1.184 14.672 1.00 0.00 H new ATOM 1455 N LEU A 113 -9.206 -0.359 7.547 1.00 0.00 N ATOM 1456 CA LEU A 113 -8.963 0.168 6.202 1.00 0.00 C ATOM 1457 C LEU A 113 -10.271 0.282 5.416 1.00 0.00 C ATOM 1458 O LEU A 113 -10.466 1.211 4.635 1.00 0.00 O ATOM 1459 CB LEU A 113 -7.977 -0.741 5.440 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.487 -0.556 5.782 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -5.647 -1.591 5.016 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -5.958 0.834 5.420 1.00 0.00 C ATOM 0 H LEU A 113 -8.666 -1.196 7.767 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.529 1.163 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -8.248 -1.779 5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -8.108 -0.571 4.371 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.402 -0.685 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.593 -1.457 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.960 -2.596 5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.791 -1.455 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.903 0.902 5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.075 1.000 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.519 1.591 5.968 1.00 0.00 H new ATOM 1474 N LYS A 114 -11.198 -0.649 5.649 1.00 0.00 N ATOM 1475 CA LYS A 114 -12.497 -0.656 5.000 1.00 0.00 C ATOM 1476 C LYS A 114 -13.383 0.477 5.524 1.00 0.00 C ATOM 1477 O LYS A 114 -14.109 1.090 4.746 1.00 0.00 O ATOM 1478 CB LYS A 114 -13.117 -2.041 5.213 1.00 0.00 C ATOM 1479 CG LYS A 114 -14.382 -2.243 4.380 1.00 0.00 C ATOM 1480 CD LYS A 114 -14.941 -3.641 4.644 1.00 0.00 C ATOM 1481 CE LYS A 114 -16.181 -3.908 3.791 1.00 0.00 C ATOM 1482 NZ LYS A 114 -17.352 -3.126 4.239 1.00 0.00 N ATOM 0 H LYS A 114 -11.061 -1.422 6.300 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.395 -0.473 3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.387 -2.808 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.355 -2.172 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -15.125 -1.487 4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -14.157 -2.123 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -14.178 -4.388 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -15.193 -3.742 5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.962 -3.666 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -16.422 -4.970 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -18.176 -3.367 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -17.559 -3.350 5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -17.147 -2.111 4.148 1.00 0.00 H new ATOM 1496 N LYS A 115 -13.366 0.751 6.828 1.00 0.00 N ATOM 1497 CA LYS A 115 -14.106 1.842 7.457 1.00 0.00 C ATOM 1498 C LYS A 115 -13.498 3.207 7.146 1.00 0.00 C ATOM 1499 O LYS A 115 -14.130 4.220 7.439 1.00 0.00 O ATOM 1500 CB LYS A 115 -14.111 1.623 8.982 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.515 1.439 9.569 1.00 0.00 C ATOM 1502 CD LYS A 115 -16.303 0.236 9.020 1.00 0.00 C ATOM 1503 CE LYS A 115 -15.515 -1.075 9.121 1.00 0.00 C ATOM 1504 NZ LYS A 115 -16.383 -2.270 9.118 1.00 0.00 N ATOM 0 H LYS A 115 -12.821 0.204 7.494 1.00 0.00 H new ATOM 0 HA LYS A 115 -15.120 1.836 7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.510 0.745 9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.633 2.475 9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.428 1.333 10.650 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.091 2.346 9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.239 0.137 9.570 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.563 0.421 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.816 -1.138 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.921 -1.066 10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.825 -3.105 9.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.160 -2.136 9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -16.776 -2.411 8.165 1.00 0.00 H new ATOM 1518 N GLU A 116 -12.272 3.245 6.637 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.529 4.480 6.423 1.00 0.00 C ATOM 1520 C GLU A 116 -11.588 4.882 4.957 1.00 0.00 C ATOM 1521 O GLU A 116 -11.792 6.054 4.648 1.00 0.00 O ATOM 1522 CB GLU A 116 -10.097 4.278 6.945 1.00 0.00 C ATOM 1523 CG GLU A 116 -10.169 4.331 8.483 1.00 0.00 C ATOM 1524 CD GLU A 116 -9.061 3.616 9.258 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -7.926 3.466 8.754 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -9.350 3.231 10.421 1.00 0.00 O ATOM 0 H GLU A 116 -11.760 2.408 6.358 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.972 5.308 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.695 3.322 6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.434 5.054 6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.172 5.378 8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.125 3.908 8.792 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.451 3.917 4.049 1.00 0.00 N ATOM 1534 CA PHE A 117 -11.245 4.199 2.636 1.00 0.00 C ATOM 1535 C PHE A 117 -12.182 3.405 1.730 1.00 0.00 C ATOM 1536 O PHE A 117 -12.115 3.546 0.510 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.790 3.902 2.292 1.00 0.00 C ATOM 1538 CG PHE A 117 -8.761 4.554 3.200 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -8.753 5.952 3.375 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -7.824 3.760 3.891 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -7.828 6.554 4.244 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -6.895 4.368 4.756 1.00 0.00 C ATOM 1543 CZ PHE A 117 -6.900 5.761 4.939 1.00 0.00 C ATOM 0 H PHE A 117 -11.480 2.923 4.274 1.00 0.00 H new ATOM 0 HA PHE A 117 -11.475 5.250 2.461 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.641 2.823 2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.603 4.225 1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.462 6.564 2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.819 2.688 3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.830 7.626 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.174 3.760 5.282 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.192 6.221 5.612 1.00 0.00 H new ATOM 1553 N TYR A 118 -13.052 2.560 2.296 1.00 0.00 N ATOM 1554 CA TYR A 118 -13.930 1.707 1.511 1.00 0.00 C ATOM 1555 C TYR A 118 -15.352 1.715 2.091 1.00 0.00 C ATOM 1556 O TYR A 118 -15.976 0.683 2.350 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.285 0.336 1.301 1.00 0.00 C ATOM 1558 CG TYR A 118 -13.670 -0.369 0.011 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -13.161 0.065 -1.236 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -14.475 -1.517 0.075 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -13.368 -0.697 -2.407 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -14.700 -2.281 -1.077 1.00 0.00 C ATOM 1563 CZ TYR A 118 -14.107 -1.906 -2.303 1.00 0.00 C ATOM 1564 OH TYR A 118 -14.293 -2.728 -3.369 1.00 0.00 O ATOM 0 H TYR A 118 -13.161 2.454 3.305 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.059 2.101 0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.202 0.455 1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.552 -0.306 2.141 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.607 0.991 -1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -14.921 -1.811 1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -12.974 -0.369 -3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -15.328 -3.158 -1.028 1.00 0.00 H new ATOM 0 HH TYR A 118 -14.824 -3.504 -3.095 1.00 0.00 H new ATOM 1574 N GLN A 119 -15.905 2.920 2.232 1.00 0.00 N ATOM 1575 CA GLN A 119 -17.269 3.230 2.652 1.00 0.00 C ATOM 1576 C GLN A 119 -18.301 3.289 1.504 1.00 0.00 C ATOM 1577 O GLN A 119 -19.301 2.573 1.563 1.00 0.00 O ATOM 1578 CB GLN A 119 -17.258 4.549 3.443 1.00 0.00 C ATOM 1579 CG GLN A 119 -16.469 5.710 2.794 1.00 0.00 C ATOM 1580 CD GLN A 119 -15.082 5.921 3.392 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -14.937 6.042 4.603 1.00 0.00 O ATOM 1582 NE2 GLN A 119 -14.052 5.999 2.564 1.00 0.00 N ATOM 0 H GLN A 119 -15.370 3.767 2.041 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.600 2.401 3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -18.289 4.872 3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.839 4.356 4.431 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -16.368 5.516 1.726 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -17.043 6.630 2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -14.196 5.895 1.560 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -13.114 6.163 2.930 1.00 0.00 H new ATOM 1591 N THR A 120 -18.112 4.163 0.510 1.00 0.00 N ATOM 1592 CA THR A 120 -19.114 4.575 -0.470 1.00 0.00 C ATOM 1593 C THR A 120 -19.320 3.509 -1.564 1.00 0.00 C ATOM 1594 O THR A 120 -18.890 2.361 -1.440 1.00 0.00 O ATOM 1595 CB THR A 120 -18.774 5.977 -1.044 1.00 0.00 C ATOM 1596 OG1 THR A 120 -17.810 5.901 -2.075 1.00 0.00 O ATOM 1597 CG2 THR A 120 -18.303 7.006 -0.015 1.00 0.00 C ATOM 0 H THR A 120 -17.213 4.622 0.363 1.00 0.00 H new ATOM 0 HA THR A 120 -20.074 4.663 0.039 1.00 0.00 H new ATOM 0 HB THR A 120 -19.730 6.329 -1.432 1.00 0.00 H new ATOM 0 HG1 THR A 120 -17.622 6.801 -2.414 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.091 7.951 -0.516 1.00 0.00 H new ATOM 0 HG22 THR A 120 -19.083 7.158 0.731 1.00 0.00 H new ATOM 0 HG23 THR A 120 -17.399 6.644 0.474 1.00 0.00 H new ATOM 1605 N ARG A 121 -20.003 3.876 -2.651 1.00 0.00 N ATOM 1606 CA ARG A 121 -20.313 2.997 -3.773 1.00 0.00 C ATOM 1607 C ARG A 121 -19.425 3.379 -4.949 1.00 0.00 C ATOM 1608 O ARG A 121 -18.715 2.525 -5.478 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.820 3.054 -4.105 1.00 0.00 C ATOM 1610 CG ARG A 121 -22.766 2.952 -2.891 1.00 0.00 C ATOM 1611 CD ARG A 121 -23.097 4.324 -2.271 1.00 0.00 C ATOM 1612 NE ARG A 121 -23.786 4.181 -0.979 1.00 0.00 N ATOM 1613 CZ ARG A 121 -24.124 5.184 -0.156 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -24.112 6.451 -0.561 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -24.479 4.920 1.095 1.00 0.00 N ATOM 0 H ARG A 121 -20.365 4.822 -2.775 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.103 1.958 -3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.025 3.988 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.054 2.244 -4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -23.692 2.465 -3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -22.308 2.317 -2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -22.178 4.893 -2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.724 4.893 -2.958 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.028 3.235 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.841 6.678 -1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -24.374 7.195 0.085 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.494 3.956 1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.737 5.681 1.723 1.00 0.00 H new ATOM 1629 N SER A 122 -19.409 4.667 -5.288 1.00 0.00 N ATOM 1630 CA SER A 122 -18.580 5.276 -6.318 1.00 0.00 C ATOM 1631 C SER A 122 -17.084 5.041 -6.067 1.00 0.00 C ATOM 1632 O SER A 122 -16.358 4.886 -7.044 1.00 0.00 O ATOM 1633 CB SER A 122 -18.941 6.765 -6.337 1.00 0.00 C ATOM 1634 OG SER A 122 -18.320 7.459 -7.390 1.00 0.00 O ATOM 0 H SER A 122 -20.009 5.349 -4.823 1.00 0.00 H new ATOM 0 HA SER A 122 -18.772 4.823 -7.290 1.00 0.00 H new ATOM 0 HB2 SER A 122 -20.022 6.872 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.652 7.217 -5.388 1.00 0.00 H new ATOM 0 HG SER A 122 -18.583 8.403 -7.360 1.00 0.00 H new ATOM 1640 N GLN A 123 -16.610 4.919 -4.816 1.00 0.00 N ATOM 1641 CA GLN A 123 -15.184 4.692 -4.544 1.00 0.00 C ATOM 1642 C GLN A 123 -14.650 3.480 -5.314 1.00 0.00 C ATOM 1643 O GLN A 123 -13.492 3.461 -5.707 1.00 0.00 O ATOM 1644 CB GLN A 123 -14.936 4.485 -3.039 1.00 0.00 C ATOM 1645 CG GLN A 123 -15.423 3.102 -2.586 1.00 0.00 C ATOM 1646 CD GLN A 123 -15.690 2.992 -1.109 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -15.472 3.911 -0.323 1.00 0.00 O ATOM 1648 NE2 GLN A 123 -16.196 1.831 -0.726 1.00 0.00 N ATOM 0 H GLN A 123 -17.193 4.974 -3.981 1.00 0.00 H new ATOM 0 HA GLN A 123 -14.652 5.582 -4.879 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -13.872 4.588 -2.825 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -15.452 5.260 -2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -16.336 2.856 -3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -14.677 2.358 -2.865 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -16.361 1.095 -1.413 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -16.421 1.672 0.256 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.485 2.461 -5.541 1.00 0.00 N ATOM 1658 CA LYS A 124 -15.131 1.221 -6.232 1.00 0.00 C ATOM 1659 C LYS A 124 -14.851 1.443 -7.718 1.00 0.00 C ATOM 1660 O LYS A 124 -14.565 0.493 -8.432 1.00 0.00 O ATOM 1661 CB LYS A 124 -16.277 0.226 -6.037 1.00 0.00 C ATOM 1662 CG LYS A 124 -16.269 -0.328 -4.606 1.00 0.00 C ATOM 1663 CD LYS A 124 -17.624 -0.235 -3.899 1.00 0.00 C ATOM 1664 CE LYS A 124 -17.760 -1.363 -2.872 1.00 0.00 C ATOM 1665 NZ LYS A 124 -18.034 -2.670 -3.511 1.00 0.00 N ATOM 0 H LYS A 124 -16.459 2.479 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.207 0.829 -5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -17.230 0.715 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -16.182 -0.592 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -15.954 -1.371 -4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -15.526 0.214 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -17.719 0.731 -3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -18.430 -0.299 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -16.843 -1.432 -2.287 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -18.565 -1.124 -2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -18.351 -3.349 -2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -18.777 -2.556 -4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -17.167 -3.024 -3.963 1.00 0.00 H new ATOM 1679 N ARG A 125 -14.947 2.680 -8.192 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.626 3.092 -9.544 1.00 0.00 C ATOM 1681 C ARG A 125 -13.345 3.924 -9.582 1.00 0.00 C ATOM 1682 O ARG A 125 -12.936 4.385 -10.645 1.00 0.00 O ATOM 1683 CB ARG A 125 -15.835 3.922 -10.009 1.00 0.00 C ATOM 1684 CG ARG A 125 -16.072 4.046 -11.507 1.00 0.00 C ATOM 1685 CD ARG A 125 -16.540 2.735 -12.142 1.00 0.00 C ATOM 1686 NE ARG A 125 -17.564 2.975 -13.170 1.00 0.00 N ATOM 1687 CZ ARG A 125 -17.434 2.866 -14.497 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -16.252 2.641 -15.060 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -18.518 2.983 -15.255 1.00 0.00 N ATOM 0 H ARG A 125 -15.266 3.456 -7.612 1.00 0.00 H new ATOM 0 HA ARG A 125 -14.445 2.235 -10.193 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.730 3.490 -9.562 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -15.729 4.927 -9.602 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.818 4.820 -11.690 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.151 4.371 -11.991 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -15.689 2.220 -12.587 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -16.943 2.078 -11.371 1.00 0.00 H new ATOM 0 HE ARG A 125 -18.483 3.258 -12.831 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -15.419 2.548 -14.478 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -16.177 2.562 -16.074 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -19.426 3.153 -14.823 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -18.442 2.903 -16.269 1.00 0.00 H new ATOM 1703 N GLU A 126 -12.725 4.144 -8.426 1.00 0.00 N ATOM 1704 CA GLU A 126 -11.436 4.785 -8.271 1.00 0.00 C ATOM 1705 C GLU A 126 -10.519 3.801 -7.563 1.00 0.00 C ATOM 1706 O GLU A 126 -9.581 3.311 -8.163 1.00 0.00 O ATOM 1707 CB GLU A 126 -11.587 6.096 -7.489 1.00 0.00 C ATOM 1708 CG GLU A 126 -11.874 7.291 -8.405 1.00 0.00 C ATOM 1709 CD GLU A 126 -13.339 7.731 -8.412 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -13.854 8.117 -7.338 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -13.973 7.774 -9.492 1.00 0.00 O ATOM 0 H GLU A 126 -13.132 3.864 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.007 5.047 -9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -12.396 5.994 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -10.675 6.286 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.254 8.132 -8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.577 7.036 -9.422 1.00 0.00 H new ATOM 1718 N VAL A 127 -10.819 3.450 -6.318 1.00 0.00 N ATOM 1719 CA VAL A 127 -10.036 2.548 -5.481 1.00 0.00 C ATOM 1720 C VAL A 127 -9.756 1.224 -6.208 1.00 0.00 C ATOM 1721 O VAL A 127 -8.620 0.761 -6.206 1.00 0.00 O ATOM 1722 CB VAL A 127 -10.766 2.325 -4.141 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -9.915 1.541 -3.142 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -11.123 3.649 -3.441 1.00 0.00 C ATOM 0 H VAL A 127 -11.651 3.801 -5.844 1.00 0.00 H new ATOM 0 HA VAL A 127 -9.067 3.002 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.665 1.771 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -10.472 1.409 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.670 0.565 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -8.995 2.089 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -11.635 3.438 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -10.211 4.211 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -11.776 4.237 -4.086 1.00 0.00 H new ATOM 1734 N ASP A 128 -10.772 0.605 -6.822 1.00 0.00 N ATOM 1735 CA ASP A 128 -10.585 -0.612 -7.626 1.00 0.00 C ATOM 1736 C ASP A 128 -9.794 -0.372 -8.916 1.00 0.00 C ATOM 1737 O ASP A 128 -9.077 -1.247 -9.401 1.00 0.00 O ATOM 1738 CB ASP A 128 -11.961 -1.144 -8.017 1.00 0.00 C ATOM 1739 CG ASP A 128 -11.876 -2.624 -8.380 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -11.818 -3.462 -7.450 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -11.899 -2.943 -9.595 1.00 0.00 O ATOM 0 H ASP A 128 -11.738 0.929 -6.777 1.00 0.00 H new ATOM 0 HA ASP A 128 -10.018 -1.315 -7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -12.660 -1.005 -7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -12.350 -0.577 -8.863 1.00 0.00 H new ATOM 1746 N ASP A 129 -9.957 0.822 -9.478 1.00 0.00 N ATOM 1747 CA ASP A 129 -9.447 1.251 -10.775 1.00 0.00 C ATOM 1748 C ASP A 129 -7.945 1.542 -10.694 1.00 0.00 C ATOM 1749 O ASP A 129 -7.191 1.220 -11.611 1.00 0.00 O ATOM 1750 CB ASP A 129 -10.258 2.480 -11.213 1.00 0.00 C ATOM 1751 CG ASP A 129 -10.078 2.776 -12.691 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -10.821 2.196 -13.514 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -9.197 3.581 -13.050 1.00 0.00 O ATOM 0 H ASP A 129 -10.481 1.561 -9.010 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.563 0.463 -11.519 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.314 2.313 -11.002 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.949 3.347 -10.628 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.493 2.069 -9.556 1.00 0.00 N ATOM 1759 CA TYR A 130 -6.104 2.277 -9.159 1.00 0.00 C ATOM 1760 C TYR A 130 -5.343 0.951 -9.095 1.00 0.00 C ATOM 1761 O TYR A 130 -4.173 0.907 -9.458 1.00 0.00 O ATOM 1762 CB TYR A 130 -6.103 2.988 -7.807 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.843 4.319 -7.737 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -7.090 5.130 -8.869 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -7.273 4.771 -6.482 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -7.683 6.401 -8.729 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.883 6.025 -6.348 1.00 0.00 C ATOM 1768 CZ TYR A 130 -8.075 6.865 -7.458 1.00 0.00 C ATOM 1769 OH TYR A 130 -8.574 8.120 -7.290 1.00 0.00 O ATOM 0 H TYR A 130 -8.140 2.385 -8.834 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.591 2.891 -9.899 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.539 2.316 -7.068 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -5.068 3.158 -7.512 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.821 4.771 -9.852 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -7.133 4.148 -5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -7.837 7.021 -9.599 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -8.212 6.352 -5.373 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.791 8.262 -6.345 1.00 0.00 H new ATOM 1779 N VAL A 131 -5.992 -0.151 -8.708 1.00 0.00 N ATOM 1780 CA VAL A 131 -5.344 -1.465 -8.675 1.00 0.00 C ATOM 1781 C VAL A 131 -4.987 -1.933 -10.102 1.00 0.00 C ATOM 1782 O VAL A 131 -4.057 -2.726 -10.248 1.00 0.00 O ATOM 1783 CB VAL A 131 -6.237 -2.468 -7.897 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -5.631 -3.869 -7.752 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -6.525 -1.995 -6.462 1.00 0.00 C ATOM 0 H VAL A 131 -6.968 -0.159 -8.412 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.397 -1.401 -8.138 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.141 -2.514 -8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -6.318 -4.507 -7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -5.459 -4.295 -8.740 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -4.684 -3.802 -7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.153 -2.728 -5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.586 -1.886 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.040 -1.035 -6.492 1.00 0.00 H new ATOM 1795 N ALA A 132 -5.654 -1.408 -11.143 1.00 0.00 N ATOM 1796 CA ALA A 132 -5.302 -1.620 -12.549 1.00 0.00 C ATOM 1797 C ALA A 132 -4.480 -0.456 -13.130 1.00 0.00 C ATOM 1798 O ALA A 132 -3.913 -0.589 -14.213 1.00 0.00 O ATOM 1799 CB ALA A 132 -6.583 -1.812 -13.373 1.00 0.00 C ATOM 0 H ALA A 132 -6.472 -0.811 -11.023 1.00 0.00 H new ATOM 0 HA ALA A 132 -4.680 -2.513 -12.601 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -6.322 -1.970 -14.420 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.129 -2.679 -13.000 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.209 -0.924 -13.285 1.00 0.00 H new ATOM 1805 N GLY A 133 -4.393 0.678 -12.432 1.00 0.00 N ATOM 1806 CA GLY A 133 -3.630 1.859 -12.828 1.00 0.00 C ATOM 1807 C GLY A 133 -2.184 1.810 -12.337 1.00 0.00 C ATOM 1808 O GLY A 133 -1.494 2.832 -12.341 1.00 0.00 O ATOM 0 H GLY A 133 -4.872 0.802 -11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -3.639 1.947 -13.914 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -4.115 2.751 -12.432 1.00 0.00 H new ATOM 1812 N LEU A 134 -1.740 0.647 -11.857 1.00 0.00 N ATOM 1813 CA LEU A 134 -0.380 0.359 -11.455 1.00 0.00 C ATOM 1814 C LEU A 134 0.172 -0.780 -12.311 1.00 0.00 C ATOM 1815 O LEU A 134 -0.510 -1.286 -13.203 1.00 0.00 O ATOM 1816 CB LEU A 134 -0.342 0.129 -9.936 1.00 0.00 C ATOM 1817 CG LEU A 134 -1.022 -1.134 -9.383 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -0.129 -2.368 -9.533 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -1.335 -0.908 -7.898 1.00 0.00 C ATOM 0 H LEU A 134 -2.359 -0.155 -11.736 1.00 0.00 H new ATOM 0 HA LEU A 134 0.289 1.200 -11.637 1.00 0.00 H new ATOM 0 HB2 LEU A 134 0.703 0.109 -9.627 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.800 0.993 -9.455 1.00 0.00 H new ATOM 0 HG LEU A 134 -1.935 -1.315 -9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -0.644 -3.241 -9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 134 0.092 -2.531 -10.588 1.00 0.00 H new ATOM 0 HD13 LEU A 134 0.802 -2.212 -8.987 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -1.818 -1.795 -7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -0.409 -0.717 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.000 -0.051 -7.793 1.00 0.00 H new ATOM 1831 N ARG A 135 1.437 -1.122 -12.096 1.00 0.00 N ATOM 1832 CA ARG A 135 2.263 -2.002 -12.920 1.00 0.00 C ATOM 1833 C ARG A 135 2.927 -3.034 -12.020 1.00 0.00 C ATOM 1834 O ARG A 135 2.824 -2.917 -10.801 1.00 0.00 O ATOM 1835 CB ARG A 135 3.329 -1.143 -13.608 1.00 0.00 C ATOM 1836 CG ARG A 135 2.745 -0.028 -14.490 1.00 0.00 C ATOM 1837 CD ARG A 135 3.839 0.909 -14.986 1.00 0.00 C ATOM 1838 NE ARG A 135 4.775 0.273 -15.918 1.00 0.00 N ATOM 1839 CZ ARG A 135 5.869 0.876 -16.384 1.00 0.00 C ATOM 1840 NH1 ARG A 135 6.314 1.983 -15.789 1.00 0.00 N ATOM 1841 NH2 ARG A 135 6.482 0.388 -17.452 1.00 0.00 N ATOM 0 H ARG A 135 1.949 -0.769 -11.287 1.00 0.00 H new ATOM 0 HA ARG A 135 1.661 -2.516 -13.669 1.00 0.00 H new ATOM 0 HB2 ARG A 135 3.969 -0.696 -12.848 1.00 0.00 H new ATOM 0 HB3 ARG A 135 3.962 -1.785 -14.220 1.00 0.00 H new ATOM 0 HG2 ARG A 135 2.225 -0.468 -15.341 1.00 0.00 H new ATOM 0 HG3 ARG A 135 2.006 0.539 -13.923 1.00 0.00 H new ATOM 0 HD2 ARG A 135 3.378 1.767 -15.476 1.00 0.00 H new ATOM 0 HD3 ARG A 135 4.395 1.292 -14.130 1.00 0.00 H new ATOM 0 HE ARG A 135 4.579 -0.680 -16.226 1.00 0.00 H new ATOM 0 HH11 ARG A 135 5.818 2.363 -14.983 1.00 0.00 H new ATOM 0 HH12 ARG A 135 7.150 2.450 -16.140 1.00 0.00 H new ATOM 0 HH21 ARG A 135 6.117 -0.445 -17.914 1.00 0.00 H new ATOM 0 HH22 ARG A 135 7.319 0.845 -17.813 1.00 0.00 H new ATOM 1855 N THR A 136 3.669 -3.996 -12.566 1.00 0.00 N ATOM 1856 CA THR A 136 4.235 -5.055 -11.728 1.00 0.00 C ATOM 1857 C THR A 136 5.716 -5.331 -12.025 1.00 0.00 C ATOM 1858 O THR A 136 6.322 -6.185 -11.383 1.00 0.00 O ATOM 1859 CB THR A 136 3.414 -6.345 -11.899 1.00 0.00 C ATOM 1860 OG1 THR A 136 2.601 -6.378 -13.066 1.00 0.00 O ATOM 1861 CG2 THR A 136 2.433 -6.436 -10.739 1.00 0.00 C ATOM 0 H THR A 136 3.889 -4.066 -13.559 1.00 0.00 H new ATOM 0 HA THR A 136 4.183 -4.708 -10.696 1.00 0.00 H new ATOM 0 HB THR A 136 4.144 -7.153 -11.956 1.00 0.00 H new ATOM 0 HG1 THR A 136 2.115 -7.228 -13.102 1.00 0.00 H new ATOM 0 HG21 THR A 136 1.837 -7.344 -10.837 1.00 0.00 H new ATOM 0 HG22 THR A 136 2.983 -6.462 -9.798 1.00 0.00 H new ATOM 0 HG23 THR A 136 1.775 -5.567 -10.750 1.00 0.00 H new ATOM 1869 N GLU A 137 6.278 -4.603 -12.989 1.00 0.00 N ATOM 1870 CA GLU A 137 7.437 -4.947 -13.810 1.00 0.00 C ATOM 1871 C GLU A 137 7.058 -6.163 -14.628 1.00 0.00 C ATOM 1872 O GLU A 137 6.300 -5.979 -15.607 1.00 0.00 O ATOM 1873 CB GLU A 137 8.759 -5.092 -13.023 1.00 0.00 C ATOM 1874 CG GLU A 137 9.505 -3.760 -12.856 1.00 0.00 C ATOM 1875 CD GLU A 137 10.811 -3.753 -13.661 1.00 0.00 C ATOM 1876 OE1 GLU A 137 10.779 -3.583 -14.903 1.00 0.00 O ATOM 1877 OE2 GLU A 137 11.891 -3.925 -13.052 1.00 0.00 O ATOM 0 H GLU A 137 5.905 -3.686 -13.235 1.00 0.00 H new ATOM 0 HA GLU A 137 7.673 -4.117 -14.476 1.00 0.00 H new ATOM 0 HB2 GLU A 137 8.546 -5.509 -12.039 1.00 0.00 H new ATOM 0 HB3 GLU A 137 9.406 -5.803 -13.537 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.868 -2.939 -13.184 1.00 0.00 H new ATOM 0 HG3 GLU A 137 9.723 -3.592 -11.801 1.00 0.00 H new TER 1884 GLU A 137