USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 316 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 52 SER OG : rot 171:sc= 0.824 USER MOD Set 1.2: A 58 GLN : amide:sc= 1.44 K(o=2.3,f=-0.31!) USER MOD Set 2.1: A 1 ASP N :NH3+ 147:sc= -0.592 (180deg=-0.373) USER MOD Set 2.2: A 3 ASN : amide:sc= -1.02 K(o=-1.9,f=-10!) USER MOD Set 2.3: A 44 GLN : amide:sc= -0.328 K(o=-1.9,f=-5.7!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0.645 K(o=0.64,f=-0.042) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0837 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.273 K(o=-0.27,f=-3.9!) USER MOD Single : A 15 MET CE :methyl -128:sc= 0 (180deg=-0.0269) USER MOD Single : A 16 GLN : amide:sc= 0.907 K(o=0.91,f=-0.21) USER MOD Single : A 17 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-3.4!) USER MOD Single : A 18 LYS NZ :NH3+ -157:sc= -0.777! (180deg=-1.73!) USER MOD Single : A 19 ASN : amide:sc= 0.166 K(o=0.17,f=-2.5!) USER MOD Single : A 24 ASN : amide:sc= -0.461 K(o=-0.46,f=-1.8) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 0.902 (180deg=0.872) USER MOD Single : A 35 THR OG1 : rot 164:sc= -0.603 USER MOD Single : A 36 SER OG : rot -96:sc= 0.593 USER MOD Single : A 37 MET CE :methyl 180:sc=-0.00105 (180deg=-0.00105) USER MOD Single : A 42 GLN : amide:sc= 0.696 K(o=0.7,f=-0.066) USER MOD Single : A 43 ASN : amide:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : A 48 SER OG : rot -48:sc= 0.733 USER MOD Single : A 53 THR OG1 : rot -39:sc= 1.03 USER MOD Single : A 54 THR OG1 : rot 81:sc= 0.544 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -3.771 -2.862 -13.376 1.00 0.00 N ATOM 2 CA ASP A 1 -4.704 -1.795 -13.059 1.00 0.00 C ATOM 3 C ASP A 1 -5.539 -2.199 -11.841 1.00 0.00 C ATOM 4 O ASP A 1 -5.703 -1.413 -10.909 1.00 0.00 O ATOM 5 CB ASP A 1 -5.661 -1.536 -14.223 1.00 0.00 C ATOM 6 CG ASP A 1 -6.013 -2.769 -15.059 1.00 0.00 C ATOM 7 OD1 ASP A 1 -6.499 -3.780 -14.530 1.00 0.00 O ATOM 8 OD2 ASP A 1 -5.766 -2.663 -16.320 1.00 0.00 O ATOM 0 H1 ASP A 1 -3.621 -2.898 -14.404 1.00 0.00 H new ATOM 0 H2 ASP A 1 -2.864 -2.683 -12.900 1.00 0.00 H new ATOM 0 H3 ASP A 1 -4.159 -3.770 -13.051 1.00 0.00 H new ATOM 0 HA ASP A 1 -4.128 -0.892 -12.859 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.583 -1.109 -13.828 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -5.217 -0.786 -14.878 1.00 0.00 H new ATOM 13 N GLN A 2 -6.044 -3.422 -11.890 1.00 0.00 N ATOM 14 CA GLN A 2 -6.831 -3.951 -10.789 1.00 0.00 C ATOM 15 C GLN A 2 -6.966 -5.469 -10.914 1.00 0.00 C ATOM 16 O GLN A 2 -6.769 -6.027 -11.992 1.00 0.00 O ATOM 17 CB GLN A 2 -8.206 -3.281 -10.728 1.00 0.00 C ATOM 18 CG GLN A 2 -8.962 -3.459 -12.047 1.00 0.00 C ATOM 19 CD GLN A 2 -10.343 -2.802 -11.980 1.00 0.00 C ATOM 20 OE1 GLN A 2 -10.565 -1.712 -12.478 1.00 0.00 O ATOM 21 NE2 GLN A 2 -11.255 -3.527 -11.337 1.00 0.00 N ATOM 0 H GLN A 2 -5.924 -4.062 -12.675 1.00 0.00 H new ATOM 0 HA GLN A 2 -6.312 -3.728 -9.857 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.787 -3.709 -9.911 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.088 -2.219 -10.513 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.386 -3.021 -12.862 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.071 -4.521 -12.268 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.001 -4.433 -10.943 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.208 -3.177 -11.238 1.00 0.00 H new ATOM 28 N ASN A 3 -7.302 -6.096 -9.795 1.00 0.00 N ATOM 29 CA ASN A 3 -7.430 -7.542 -9.757 1.00 0.00 C ATOM 30 C ASN A 3 -8.009 -7.964 -8.406 1.00 0.00 C ATOM 31 O ASN A 3 -8.888 -8.822 -8.342 1.00 0.00 O ATOM 32 CB ASN A 3 -6.069 -8.221 -9.921 1.00 0.00 C ATOM 33 CG ASN A 3 -5.074 -7.713 -8.876 1.00 0.00 C ATOM 34 OD1 ASN A 3 -5.137 -6.583 -8.419 1.00 0.00 O ATOM 35 ND2 ASN A 3 -4.154 -8.606 -8.527 1.00 0.00 N ATOM 0 H ASN A 3 -7.489 -5.628 -8.908 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.084 -7.843 -10.575 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -6.183 -9.301 -9.825 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -5.681 -8.029 -10.921 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -3.443 -8.363 -7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.159 -9.535 -8.949 1.00 0.00 H new ATOM 40 N CYS A 4 -7.491 -7.340 -7.357 1.00 0.00 N ATOM 41 CA CYS A 4 -7.971 -7.612 -6.012 1.00 0.00 C ATOM 42 C CYS A 4 -8.549 -6.319 -5.436 1.00 0.00 C ATOM 43 O CYS A 4 -9.721 -6.266 -5.069 1.00 0.00 O ATOM 44 CB CYS A 4 -6.868 -8.190 -5.124 1.00 0.00 C ATOM 45 SG CYS A 4 -5.204 -7.487 -5.413 1.00 0.00 S ATOM 0 H CYS A 4 -6.744 -6.647 -7.411 1.00 0.00 H new ATOM 0 HA CYS A 4 -8.752 -8.372 -6.049 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -7.139 -8.029 -4.081 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -6.824 -9.268 -5.279 1.00 0.00 H new ATOM 49 N ASP A 5 -7.698 -5.304 -5.377 1.00 0.00 N ATOM 50 CA ASP A 5 -8.073 -4.049 -4.746 1.00 0.00 C ATOM 51 C ASP A 5 -7.194 -2.924 -5.296 1.00 0.00 C ATOM 52 O ASP A 5 -7.689 -2.015 -5.960 1.00 0.00 O ATOM 53 CB ASP A 5 -7.865 -4.112 -3.231 1.00 0.00 C ATOM 54 CG ASP A 5 -8.895 -4.952 -2.472 1.00 0.00 C ATOM 55 OD1 ASP A 5 -9.880 -4.424 -1.936 1.00 0.00 O ATOM 56 OD2 ASP A 5 -8.650 -6.218 -2.443 1.00 0.00 O ATOM 0 H ASP A 5 -6.751 -5.325 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.126 -3.865 -4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.872 -4.515 -3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.883 -3.097 -2.834 1.00 0.00 H new ATOM 61 N ILE A 6 -5.907 -3.023 -5.000 1.00 0.00 N ATOM 62 CA ILE A 6 -5.017 -1.884 -5.145 1.00 0.00 C ATOM 63 C ILE A 6 -5.802 -0.594 -4.898 1.00 0.00 C ATOM 64 O ILE A 6 -5.835 0.290 -5.752 1.00 0.00 O ATOM 65 CB ILE A 6 -4.312 -1.924 -6.502 1.00 0.00 C ATOM 66 CG1 ILE A 6 -3.356 -0.739 -6.659 1.00 0.00 C ATOM 67 CG2 ILE A 6 -5.326 -1.998 -7.645 1.00 0.00 C ATOM 68 CD1 ILE A 6 -2.252 -1.054 -7.670 1.00 0.00 C ATOM 0 H ILE A 6 -5.459 -3.874 -4.660 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.224 -1.923 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.710 -2.831 -6.547 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.912 0.140 -6.985 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.911 -0.496 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.798 -2.025 -8.598 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.929 -2.899 -7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.974 -1.122 -7.614 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.587 -0.195 -7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.683 -1.919 -7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.699 -1.273 -8.640 1.00 0.00 H new ATOM 78 N GLY A 7 -6.413 -0.526 -3.724 1.00 0.00 N ATOM 79 CA GLY A 7 -6.980 0.723 -3.246 1.00 0.00 C ATOM 80 C GLY A 7 -7.863 0.490 -2.019 1.00 0.00 C ATOM 81 O GLY A 7 -8.940 1.072 -1.905 1.00 0.00 O ATOM 0 H GLY A 7 -6.528 -1.316 -3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.179 1.418 -2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.567 1.187 -4.038 1.00 0.00 H new ATOM 85 N ASN A 8 -7.372 -0.362 -1.129 1.00 0.00 N ATOM 86 CA ASN A 8 -8.160 -0.784 0.016 1.00 0.00 C ATOM 87 C ASN A 8 -7.753 0.040 1.240 1.00 0.00 C ATOM 88 O ASN A 8 -8.597 0.661 1.885 1.00 0.00 O ATOM 89 CB ASN A 8 -7.918 -2.259 0.338 1.00 0.00 C ATOM 90 CG ASN A 8 -8.955 -2.780 1.334 1.00 0.00 C ATOM 91 OD1 ASN A 8 -8.816 -2.651 2.540 1.00 0.00 O ATOM 92 ND2 ASN A 8 -9.999 -3.376 0.766 1.00 0.00 N ATOM 0 H ASN A 8 -6.439 -0.771 -1.179 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.213 -0.636 -0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.962 -2.847 -0.579 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.917 -2.385 0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.746 -3.759 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.053 -3.450 -0.250 1.00 0.00 H new ATOM 97 N ILE A 9 -6.458 0.019 1.525 1.00 0.00 N ATOM 98 CA ILE A 9 -5.956 0.574 2.770 1.00 0.00 C ATOM 99 C ILE A 9 -5.343 1.949 2.499 1.00 0.00 C ATOM 100 O ILE A 9 -5.386 2.832 3.354 1.00 0.00 O ATOM 101 CB ILE A 9 -4.995 -0.406 3.444 1.00 0.00 C ATOM 102 CG1 ILE A 9 -4.540 0.123 4.807 1.00 0.00 C ATOM 103 CG2 ILE A 9 -3.812 -0.731 2.531 1.00 0.00 C ATOM 104 CD1 ILE A 9 -5.734 0.335 5.740 1.00 0.00 C ATOM 0 H ILE A 9 -5.742 -0.374 0.914 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.771 0.722 3.478 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.529 -1.340 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.841 -0.581 5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.005 1.064 4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.145 -1.430 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.178 -1.180 1.608 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.269 0.185 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.383 0.711 6.701 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.419 1.058 5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.252 -0.612 5.889 1.00 0.00 H new ATOM 114 N THR A 10 -4.785 2.088 1.305 1.00 0.00 N ATOM 115 CA THR A 10 -4.046 3.290 0.959 1.00 0.00 C ATOM 116 C THR A 10 -4.985 4.498 0.912 1.00 0.00 C ATOM 117 O THR A 10 -4.620 5.588 1.349 1.00 0.00 O ATOM 118 CB THR A 10 -3.319 3.034 -0.363 1.00 0.00 C ATOM 119 OG1 THR A 10 -4.294 2.391 -1.177 1.00 0.00 O ATOM 120 CG2 THR A 10 -2.204 1.996 -0.226 1.00 0.00 C ATOM 0 H THR A 10 -4.830 1.387 0.565 1.00 0.00 H new ATOM 0 HA THR A 10 -3.299 3.527 1.717 1.00 0.00 H new ATOM 0 HB THR A 10 -2.900 3.970 -0.734 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.907 2.190 -2.055 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.721 1.852 -1.192 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.469 2.345 0.499 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.627 1.050 0.113 1.00 0.00 H new ATOM 128 N SER A 11 -6.174 4.262 0.378 1.00 0.00 N ATOM 129 CA SER A 11 -7.119 5.343 0.150 1.00 0.00 C ATOM 130 C SER A 11 -7.314 6.147 1.436 1.00 0.00 C ATOM 131 O SER A 11 -7.458 7.369 1.393 1.00 0.00 O ATOM 132 CB SER A 11 -8.462 4.804 -0.347 1.00 0.00 C ATOM 133 OG SER A 11 -9.413 5.845 -0.553 1.00 0.00 O ATOM 0 H SER A 11 -6.505 3.339 0.097 1.00 0.00 H new ATOM 0 HA SER A 11 -6.712 5.996 -0.622 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.312 4.261 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.856 4.091 0.377 1.00 0.00 H new ATOM 0 HG SER A 11 -10.256 5.460 -0.871 1.00 0.00 H new ATOM 138 N GLN A 12 -7.313 5.431 2.551 1.00 0.00 N ATOM 139 CA GLN A 12 -7.616 6.043 3.834 1.00 0.00 C ATOM 140 C GLN A 12 -6.463 6.945 4.278 1.00 0.00 C ATOM 141 O GLN A 12 -6.672 7.914 5.006 1.00 0.00 O ATOM 142 CB GLN A 12 -7.917 4.979 4.891 1.00 0.00 C ATOM 143 CG GLN A 12 -8.543 5.606 6.138 1.00 0.00 C ATOM 144 CD GLN A 12 -9.129 4.533 7.057 1.00 0.00 C ATOM 145 OE1 GLN A 12 -8.525 4.117 8.033 1.00 0.00 O ATOM 146 NE2 GLN A 12 -10.335 4.108 6.692 1.00 0.00 N ATOM 0 H GLN A 12 -7.107 4.433 2.593 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.509 6.658 3.719 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.594 4.231 4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.997 4.461 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.790 6.180 6.678 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.326 6.305 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.784 4.499 5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.811 3.391 7.240 1.00 0.00 H new ATOM 153 N CYS A 13 -5.269 6.595 3.819 1.00 0.00 N ATOM 154 CA CYS A 13 -4.071 7.301 4.237 1.00 0.00 C ATOM 155 C CYS A 13 -3.799 8.423 3.232 1.00 0.00 C ATOM 156 O CYS A 13 -3.307 9.488 3.603 1.00 0.00 O ATOM 157 CB CYS A 13 -2.875 6.357 4.374 1.00 0.00 C ATOM 158 SG CYS A 13 -2.956 5.218 5.804 1.00 0.00 S ATOM 0 H CYS A 13 -5.107 5.832 3.162 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.227 7.730 5.227 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.790 5.767 3.462 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.966 6.954 4.454 1.00 0.00 H new ATOM 162 N GLN A 14 -4.133 8.147 1.980 1.00 0.00 N ATOM 163 CA GLN A 14 -3.636 8.951 0.878 1.00 0.00 C ATOM 164 C GLN A 14 -3.994 10.424 1.092 1.00 0.00 C ATOM 165 O GLN A 14 -3.124 11.292 1.035 1.00 0.00 O ATOM 166 CB GLN A 14 -4.178 8.445 -0.460 1.00 0.00 C ATOM 167 CG GLN A 14 -3.489 7.141 -0.872 1.00 0.00 C ATOM 168 CD GLN A 14 -2.442 7.394 -1.958 1.00 0.00 C ATOM 169 OE1 GLN A 14 -1.650 8.319 -1.889 1.00 0.00 O ATOM 170 NE2 GLN A 14 -2.484 6.523 -2.962 1.00 0.00 N ATOM 0 H GLN A 14 -4.742 7.377 1.705 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.550 8.860 0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.253 8.284 -0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.023 9.202 -1.229 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.014 6.686 -0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.232 6.432 -1.237 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.174 5.771 -2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.827 6.607 -3.737 1.00 0.00 H new ATOM 177 N MET A 15 -5.275 10.658 1.335 1.00 0.00 N ATOM 178 CA MET A 15 -5.776 12.017 1.455 1.00 0.00 C ATOM 179 C MET A 15 -5.372 12.634 2.795 1.00 0.00 C ATOM 180 O MET A 15 -5.187 13.846 2.893 1.00 0.00 O ATOM 181 CB MET A 15 -7.302 12.010 1.335 1.00 0.00 C ATOM 182 CG MET A 15 -7.741 11.561 -0.060 1.00 0.00 C ATOM 183 SD MET A 15 -9.507 11.306 -0.092 1.00 0.00 S ATOM 184 CE MET A 15 -10.062 12.998 -0.220 1.00 0.00 C ATOM 0 H MET A 15 -5.981 9.931 1.452 1.00 0.00 H new ATOM 0 HA MET A 15 -5.342 12.617 0.655 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.726 11.343 2.086 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.691 13.008 1.539 1.00 0.00 H new ATOM 0 HG2 MET A 15 -7.460 12.313 -0.798 1.00 0.00 H new ATOM 0 HG3 MET A 15 -7.227 10.639 -0.333 1.00 0.00 H new ATOM 0 HE1 MET A 15 -10.798 13.199 0.558 1.00 0.00 H new ATOM 0 HE2 MET A 15 -9.212 13.670 -0.098 1.00 0.00 H new ATOM 0 HE3 MET A 15 -10.515 13.159 -1.198 1.00 0.00 H new ATOM 192 N GLN A 16 -5.247 11.772 3.793 1.00 0.00 N ATOM 193 CA GLN A 16 -5.257 12.221 5.175 1.00 0.00 C ATOM 194 C GLN A 16 -3.868 12.716 5.583 1.00 0.00 C ATOM 195 O GLN A 16 -3.742 13.734 6.260 1.00 0.00 O ATOM 196 CB GLN A 16 -5.740 11.110 6.109 1.00 0.00 C ATOM 197 CG GLN A 16 -7.238 11.240 6.388 1.00 0.00 C ATOM 198 CD GLN A 16 -8.038 11.266 5.084 1.00 0.00 C ATOM 199 OE1 GLN A 16 -8.403 12.310 4.569 1.00 0.00 O ATOM 200 NE2 GLN A 16 -8.291 10.060 4.580 1.00 0.00 N ATOM 0 H GLN A 16 -5.138 10.765 3.672 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.957 13.052 5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.533 10.138 5.661 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.187 11.153 7.047 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.570 10.406 7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.428 12.152 6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.956 9.226 5.062 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.820 9.971 3.712 1.00 0.00 H new ATOM 207 N HIS A 17 -2.861 11.971 5.153 1.00 0.00 N ATOM 208 CA HIS A 17 -1.489 12.280 5.522 1.00 0.00 C ATOM 209 C HIS A 17 -0.536 11.752 4.450 1.00 0.00 C ATOM 210 O HIS A 17 0.369 10.973 4.748 1.00 0.00 O ATOM 211 CB HIS A 17 -1.169 11.742 6.918 1.00 0.00 C ATOM 212 CG HIS A 17 -1.665 10.337 7.164 1.00 0.00 C ATOM 213 ND1 HIS A 17 -2.210 9.934 8.370 1.00 0.00 N ATOM 214 CD2 HIS A 17 -1.692 9.246 6.345 1.00 0.00 C ATOM 215 CE1 HIS A 17 -2.545 8.656 8.271 1.00 0.00 C ATOM 216 NE2 HIS A 17 -2.224 8.232 7.016 1.00 0.00 N ATOM 0 H HIS A 17 -2.967 11.154 4.552 1.00 0.00 H new ATOM 0 HA HIS A 17 -1.357 13.361 5.573 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.089 11.766 7.067 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.608 12.407 7.662 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.340 9.213 5.324 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -2.994 8.055 9.048 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -2.369 7.290 6.652 1.00 0.00 H new ATOM 223 N LYS A 18 -0.772 12.194 3.223 1.00 0.00 N ATOM 224 CA LYS A 18 0.092 11.824 2.115 1.00 0.00 C ATOM 225 C LYS A 18 0.047 12.922 1.050 1.00 0.00 C ATOM 226 O LYS A 18 -0.891 12.984 0.258 1.00 0.00 O ATOM 227 CB LYS A 18 -0.279 10.438 1.585 1.00 0.00 C ATOM 228 CG LYS A 18 0.862 9.442 1.810 1.00 0.00 C ATOM 229 CD LYS A 18 2.035 9.733 0.873 1.00 0.00 C ATOM 230 CE LYS A 18 1.666 9.431 -0.580 1.00 0.00 C ATOM 231 NZ LYS A 18 2.665 8.527 -1.192 1.00 0.00 N ATOM 0 H LYS A 18 -1.549 12.805 2.972 1.00 0.00 H new ATOM 0 HA LYS A 18 1.127 11.745 2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.180 10.083 2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.508 10.501 0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.197 9.495 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.502 8.427 1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.329 10.778 0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.896 9.132 1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.678 8.973 -0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.611 10.360 -1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.643 8.634 -2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.613 8.768 -0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.442 7.543 -0.941 1.00 0.00 H new ATOM 240 N ASN A 19 1.072 13.762 1.068 1.00 0.00 N ATOM 241 CA ASN A 19 1.161 14.853 0.113 1.00 0.00 C ATOM 242 C ASN A 19 1.144 14.284 -1.308 1.00 0.00 C ATOM 243 O ASN A 19 1.771 13.261 -1.579 1.00 0.00 O ATOM 244 CB ASN A 19 2.463 15.637 0.292 1.00 0.00 C ATOM 245 CG ASN A 19 3.674 14.704 0.257 1.00 0.00 C ATOM 246 OD1 ASN A 19 3.874 13.871 1.127 1.00 0.00 O ATOM 247 ND2 ASN A 19 4.469 14.888 -0.793 1.00 0.00 N ATOM 0 H ASN A 19 1.847 13.709 1.729 1.00 0.00 H new ATOM 0 HA ASN A 19 0.313 15.518 0.281 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.553 16.385 -0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.441 16.174 1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 19 5.305 14.314 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.243 15.603 -1.485 1.00 0.00 H new ATOM 252 N CYS A 20 0.418 14.971 -2.178 1.00 0.00 N ATOM 253 CA CYS A 20 0.562 14.757 -3.608 1.00 0.00 C ATOM 254 C CYS A 20 -0.312 13.566 -4.005 1.00 0.00 C ATOM 255 O CYS A 20 -0.882 13.546 -5.094 1.00 0.00 O ATOM 256 CB CYS A 20 2.026 14.548 -4.004 1.00 0.00 C ATOM 257 SG CYS A 20 2.464 12.827 -4.443 1.00 0.00 S ATOM 0 H CYS A 20 -0.272 15.677 -1.920 1.00 0.00 H new ATOM 0 HA CYS A 20 0.231 15.645 -4.147 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.254 15.194 -4.852 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.661 14.870 -3.178 1.00 0.00 H new ATOM 261 N GLU A 21 -0.389 12.602 -3.100 1.00 0.00 N ATOM 262 CA GLU A 21 -1.583 11.780 -2.982 1.00 0.00 C ATOM 263 C GLU A 21 -1.552 10.650 -4.012 1.00 0.00 C ATOM 264 O GLU A 21 -2.480 10.504 -4.806 1.00 0.00 O ATOM 265 CB GLU A 21 -2.848 12.627 -3.134 1.00 0.00 C ATOM 266 CG GLU A 21 -4.072 11.886 -2.591 1.00 0.00 C ATOM 267 CD GLU A 21 -5.361 12.644 -2.915 1.00 0.00 C ATOM 268 OE1 GLU A 21 -5.348 13.881 -2.999 1.00 0.00 O ATOM 269 OE2 GLU A 21 -6.401 11.901 -3.085 1.00 0.00 O ATOM 0 H GLU A 21 0.355 12.371 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.600 11.337 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.724 13.571 -2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.003 12.871 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.116 10.886 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.979 11.765 -1.512 1.00 0.00 H new ATOM 275 N ASP A 22 -0.476 9.878 -3.966 1.00 0.00 N ATOM 276 CA ASP A 22 -0.279 8.810 -4.931 1.00 0.00 C ATOM 277 C ASP A 22 0.498 7.670 -4.271 1.00 0.00 C ATOM 278 O ASP A 22 1.196 7.882 -3.280 1.00 0.00 O ATOM 279 CB ASP A 22 0.529 9.298 -6.136 1.00 0.00 C ATOM 280 CG ASP A 22 1.960 9.736 -5.820 1.00 0.00 C ATOM 281 OD1 ASP A 22 2.323 9.940 -4.652 1.00 0.00 O ATOM 282 OD2 ASP A 22 2.729 9.868 -6.848 1.00 0.00 O ATOM 0 H ASP A 22 0.269 9.971 -3.275 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.260 8.474 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.565 8.500 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.001 10.135 -6.593 1.00 0.00 H new ATOM 287 N ALA A 23 0.352 6.485 -4.847 1.00 0.00 N ATOM 288 CA ALA A 23 0.964 5.296 -4.278 1.00 0.00 C ATOM 289 C ALA A 23 2.337 5.079 -4.915 1.00 0.00 C ATOM 290 O ALA A 23 3.198 4.419 -4.335 1.00 0.00 O ATOM 291 CB ALA A 23 0.033 4.099 -4.478 1.00 0.00 C ATOM 0 H ALA A 23 -0.181 6.323 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 23 1.115 5.418 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.491 3.207 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.918 4.291 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.138 3.945 -5.543 1.00 0.00 H new ATOM 297 N ASN A 24 2.500 5.647 -6.102 1.00 0.00 N ATOM 298 CA ASN A 24 3.663 5.350 -6.920 1.00 0.00 C ATOM 299 C ASN A 24 4.828 6.242 -6.488 1.00 0.00 C ATOM 300 O ASN A 24 5.977 5.986 -6.845 1.00 0.00 O ATOM 301 CB ASN A 24 3.381 5.623 -8.399 1.00 0.00 C ATOM 302 CG ASN A 24 3.250 7.124 -8.663 1.00 0.00 C ATOM 303 OD1 ASN A 24 2.219 7.734 -8.433 1.00 0.00 O ATOM 304 ND2 ASN A 24 4.350 7.682 -9.159 1.00 0.00 N ATOM 0 H ASN A 24 1.846 6.311 -6.516 1.00 0.00 H new ATOM 0 HA ASN A 24 3.907 4.296 -6.788 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.186 5.212 -9.008 1.00 0.00 H new ATOM 0 HB3 ASN A 24 2.464 5.116 -8.698 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.365 8.680 -9.371 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.179 7.112 -9.328 1.00 0.00 H new ATOM 309 N GLY A 25 4.491 7.273 -5.726 1.00 0.00 N ATOM 310 CA GLY A 25 5.466 8.286 -5.363 1.00 0.00 C ATOM 311 C GLY A 25 5.125 8.916 -4.011 1.00 0.00 C ATOM 312 O GLY A 25 4.144 8.535 -3.374 1.00 0.00 O ATOM 0 H GLY A 25 3.555 7.428 -5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.460 7.840 -5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.496 9.059 -6.131 1.00 0.00 H new ATOM 316 N CYS A 26 5.956 9.868 -3.612 1.00 0.00 N ATOM 317 CA CYS A 26 5.703 10.620 -2.394 1.00 0.00 C ATOM 318 C CYS A 26 5.619 9.633 -1.229 1.00 0.00 C ATOM 319 O CYS A 26 4.986 9.918 -0.213 1.00 0.00 O ATOM 320 CB CYS A 26 4.438 11.475 -2.509 1.00 0.00 C ATOM 321 SG CYS A 26 4.419 12.628 -3.930 1.00 0.00 S ATOM 0 H CYS A 26 6.805 10.136 -4.110 1.00 0.00 H new ATOM 0 HA CYS A 26 6.521 11.319 -2.219 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.575 10.814 -2.584 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.320 12.050 -1.591 1.00 0.00 H new ATOM 325 N ASP A 27 6.265 8.492 -1.414 1.00 0.00 N ATOM 326 CA ASP A 27 5.955 7.317 -0.617 1.00 0.00 C ATOM 327 C ASP A 27 6.750 7.367 0.689 1.00 0.00 C ATOM 328 O ASP A 27 7.682 6.588 0.883 1.00 0.00 O ATOM 329 CB ASP A 27 6.338 6.033 -1.356 1.00 0.00 C ATOM 330 CG ASP A 27 7.775 5.993 -1.879 1.00 0.00 C ATOM 331 OD1 ASP A 27 8.246 6.941 -2.525 1.00 0.00 O ATOM 332 OD2 ASP A 27 8.429 4.916 -1.597 1.00 0.00 O ATOM 0 H ASP A 27 7.003 8.356 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 27 4.882 7.315 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.188 5.187 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.657 5.898 -2.197 1.00 0.00 H new ATOM 337 N THR A 28 6.355 8.293 1.551 1.00 0.00 N ATOM 338 CA THR A 28 6.941 8.379 2.877 1.00 0.00 C ATOM 339 C THR A 28 6.068 7.643 3.896 1.00 0.00 C ATOM 340 O THR A 28 6.538 6.739 4.583 1.00 0.00 O ATOM 341 CB THR A 28 7.144 9.859 3.209 1.00 0.00 C ATOM 342 OG1 THR A 28 8.229 10.256 2.374 1.00 0.00 O ATOM 343 CG2 THR A 28 7.669 10.074 4.629 1.00 0.00 C ATOM 0 H THR A 28 5.636 8.990 1.356 1.00 0.00 H new ATOM 0 HA THR A 28 7.912 7.886 2.912 1.00 0.00 H new ATOM 0 HB THR A 28 6.201 10.391 3.087 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.427 11.204 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.795 11.141 4.813 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.958 9.664 5.346 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.629 9.570 4.742 1.00 0.00 H new ATOM 351 N ILE A 29 4.812 8.059 3.960 1.00 0.00 N ATOM 352 CA ILE A 29 3.912 7.564 4.988 1.00 0.00 C ATOM 353 C ILE A 29 3.266 6.262 4.511 1.00 0.00 C ATOM 354 O ILE A 29 2.990 5.372 5.314 1.00 0.00 O ATOM 355 CB ILE A 29 2.901 8.645 5.380 1.00 0.00 C ATOM 356 CG1 ILE A 29 3.455 9.536 6.493 1.00 0.00 C ATOM 357 CG2 ILE A 29 1.555 8.024 5.759 1.00 0.00 C ATOM 358 CD1 ILE A 29 3.328 8.853 7.857 1.00 0.00 C ATOM 0 H ILE A 29 4.396 8.733 3.317 1.00 0.00 H new ATOM 0 HA ILE A 29 4.465 7.331 5.898 1.00 0.00 H new ATOM 0 HB ILE A 29 2.729 9.283 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.502 9.765 6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.918 10.484 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.855 8.813 6.033 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.159 7.467 4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.691 7.349 6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.729 9.508 8.631 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.278 8.647 8.064 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.886 7.917 7.849 1.00 0.00 H new ATOM 368 N ILE A 30 3.044 6.192 3.207 1.00 0.00 N ATOM 369 CA ILE A 30 2.337 5.062 2.628 1.00 0.00 C ATOM 370 C ILE A 30 3.209 3.810 2.740 1.00 0.00 C ATOM 371 O ILE A 30 2.725 2.694 2.554 1.00 0.00 O ATOM 372 CB ILE A 30 1.899 5.380 1.197 1.00 0.00 C ATOM 373 CG1 ILE A 30 0.558 4.716 0.874 1.00 0.00 C ATOM 374 CG2 ILE A 30 2.986 4.995 0.192 1.00 0.00 C ATOM 375 CD1 ILE A 30 -0.611 5.608 1.295 1.00 0.00 C ATOM 0 H ILE A 30 3.341 6.899 2.535 1.00 0.00 H new ATOM 0 HA ILE A 30 1.419 4.863 3.181 1.00 0.00 H new ATOM 0 HB ILE A 30 1.753 6.457 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.498 4.512 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.491 3.756 1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.649 5.232 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.897 5.552 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.188 3.926 0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.552 5.113 1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.561 5.790 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.554 6.557 0.763 1.00 0.00 H new ATOM 385 N GLU A 31 4.478 4.036 3.043 1.00 0.00 N ATOM 386 CA GLU A 31 5.407 2.937 3.245 1.00 0.00 C ATOM 387 C GLU A 31 4.793 1.886 4.172 1.00 0.00 C ATOM 388 O GLU A 31 4.859 0.691 3.891 1.00 0.00 O ATOM 389 CB GLU A 31 6.742 3.442 3.797 1.00 0.00 C ATOM 390 CG GLU A 31 7.722 2.286 4.003 1.00 0.00 C ATOM 391 CD GLU A 31 9.084 2.799 4.474 1.00 0.00 C ATOM 392 OE1 GLU A 31 9.321 2.910 5.686 1.00 0.00 O ATOM 393 OE2 GLU A 31 9.914 3.087 3.529 1.00 0.00 O ATOM 0 H GLU A 31 4.885 4.964 3.154 1.00 0.00 H new ATOM 0 HA GLU A 31 5.603 2.471 2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.172 4.170 3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.577 3.957 4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.318 1.589 4.737 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.840 1.734 3.071 1.00 0.00 H new ATOM 399 N GLU A 32 4.209 2.370 5.258 1.00 0.00 N ATOM 400 CA GLU A 32 3.588 1.487 6.231 1.00 0.00 C ATOM 401 C GLU A 32 2.170 1.122 5.785 1.00 0.00 C ATOM 402 O GLU A 32 1.780 -0.044 5.837 1.00 0.00 O ATOM 403 CB GLU A 32 3.578 2.123 7.621 1.00 0.00 C ATOM 404 CG GLU A 32 3.199 1.098 8.691 1.00 0.00 C ATOM 405 CD GLU A 32 1.683 0.899 8.749 1.00 0.00 C ATOM 406 OE1 GLU A 32 1.199 -0.232 8.595 1.00 0.00 O ATOM 407 OE2 GLU A 32 1.001 1.973 8.963 1.00 0.00 O ATOM 0 H GLU A 32 4.153 3.363 5.486 1.00 0.00 H new ATOM 0 HA GLU A 32 4.177 0.572 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.562 2.538 7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.871 2.952 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.686 0.147 8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.563 1.431 9.663 1.00 0.00 H new ATOM 413 N CYS A 33 1.436 2.139 5.358 1.00 0.00 N ATOM 414 CA CYS A 33 0.003 2.003 5.174 1.00 0.00 C ATOM 415 C CYS A 33 -0.244 1.012 4.035 1.00 0.00 C ATOM 416 O CYS A 33 -1.254 0.309 4.026 1.00 0.00 O ATOM 417 CB CYS A 33 -0.665 3.355 4.910 1.00 0.00 C ATOM 418 SG CYS A 33 -2.479 3.375 5.150 1.00 0.00 S ATOM 0 H CYS A 33 1.809 3.062 5.134 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.449 1.622 6.090 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.217 4.100 5.568 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.445 3.660 3.887 1.00 0.00 H new ATOM 422 N LYS A 34 0.694 0.987 3.101 1.00 0.00 N ATOM 423 CA LYS A 34 0.523 0.206 1.888 1.00 0.00 C ATOM 424 C LYS A 34 0.676 -1.280 2.219 1.00 0.00 C ATOM 425 O LYS A 34 -0.311 -2.010 2.285 1.00 0.00 O ATOM 426 CB LYS A 34 1.477 0.694 0.797 1.00 0.00 C ATOM 427 CG LYS A 34 1.356 -0.166 -0.463 1.00 0.00 C ATOM 428 CD LYS A 34 2.476 0.153 -1.456 1.00 0.00 C ATOM 429 CE LYS A 34 2.225 1.492 -2.153 1.00 0.00 C ATOM 430 NZ LYS A 34 3.297 1.774 -3.134 1.00 0.00 N ATOM 0 H LYS A 34 1.576 1.496 3.160 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.481 0.343 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.256 1.734 0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.502 0.663 1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.395 -1.221 -0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.388 0.007 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.432 0.184 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.545 -0.641 -2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.259 1.471 -2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.181 2.291 -1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.168 2.729 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.223 1.714 -2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.255 1.077 -3.905 1.00 0.00 H new ATOM 439 N THR A 35 1.922 -1.685 2.418 1.00 0.00 N ATOM 440 CA THR A 35 2.277 -3.090 2.324 1.00 0.00 C ATOM 441 C THR A 35 1.485 -3.909 3.345 1.00 0.00 C ATOM 442 O THR A 35 1.300 -5.113 3.172 1.00 0.00 O ATOM 443 CB THR A 35 3.793 -3.208 2.495 1.00 0.00 C ATOM 444 OG1 THR A 35 4.323 -2.627 1.307 1.00 0.00 O ATOM 445 CG2 THR A 35 4.277 -4.658 2.449 1.00 0.00 C ATOM 0 H THR A 35 2.699 -1.063 2.644 1.00 0.00 H new ATOM 0 HA THR A 35 2.013 -3.500 1.349 1.00 0.00 H new ATOM 0 HB THR A 35 4.087 -2.758 3.443 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.273 -2.426 1.437 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.359 -4.684 2.575 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.804 -5.225 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.013 -5.099 1.488 1.00 0.00 H new ATOM 453 N SER A 36 1.039 -3.224 4.388 1.00 0.00 N ATOM 454 CA SER A 36 0.177 -3.846 5.378 1.00 0.00 C ATOM 455 C SER A 36 -0.782 -4.825 4.697 1.00 0.00 C ATOM 456 O SER A 36 -0.624 -6.039 4.817 1.00 0.00 O ATOM 457 CB SER A 36 -0.608 -2.794 6.163 1.00 0.00 C ATOM 458 OG SER A 36 -1.540 -2.097 5.338 1.00 0.00 O ATOM 0 H SER A 36 1.259 -2.244 4.569 1.00 0.00 H new ATOM 0 HA SER A 36 0.804 -4.393 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.140 -3.276 6.983 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.086 -2.081 6.608 1.00 0.00 H new ATOM 0 HG SER A 36 -1.141 -1.256 5.032 1.00 0.00 H new ATOM 463 N MET A 37 -1.754 -4.260 3.998 1.00 0.00 N ATOM 464 CA MET A 37 -2.841 -5.055 3.452 1.00 0.00 C ATOM 465 C MET A 37 -2.709 -5.195 1.933 1.00 0.00 C ATOM 466 O MET A 37 -3.501 -5.889 1.299 1.00 0.00 O ATOM 467 CB MET A 37 -4.178 -4.393 3.789 1.00 0.00 C ATOM 468 CG MET A 37 -4.434 -4.412 5.297 1.00 0.00 C ATOM 469 SD MET A 37 -5.870 -3.425 5.685 1.00 0.00 S ATOM 470 CE MET A 37 -5.470 -2.939 7.355 1.00 0.00 C ATOM 0 H MET A 37 -1.812 -3.262 3.797 1.00 0.00 H new ATOM 0 HA MET A 37 -2.796 -6.050 3.895 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.179 -3.364 3.429 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.985 -4.912 3.273 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.585 -5.437 5.636 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.563 -4.026 5.827 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.268 -2.312 7.753 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.362 -3.828 7.977 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.535 -2.380 7.357 1.00 0.00 H new ATOM 478 N VAL A 38 -1.701 -4.523 1.395 1.00 0.00 N ATOM 479 CA VAL A 38 -1.425 -4.603 -0.029 1.00 0.00 C ATOM 480 C VAL A 38 -0.503 -5.794 -0.300 1.00 0.00 C ATOM 481 O VAL A 38 -0.204 -6.103 -1.452 1.00 0.00 O ATOM 482 CB VAL A 38 -0.848 -3.275 -0.525 1.00 0.00 C ATOM 483 CG1 VAL A 38 -0.302 -3.412 -1.948 1.00 0.00 C ATOM 484 CG2 VAL A 38 -1.892 -2.160 -0.444 1.00 0.00 C ATOM 0 H VAL A 38 -1.066 -3.921 1.920 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.346 -4.772 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.018 -3.005 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.102 -2.454 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.487 -4.164 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.106 -3.716 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.457 -1.227 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.751 -2.420 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.213 -2.037 0.590 1.00 0.00 H new ATOM 494 N GLU A 39 -0.078 -6.430 0.782 1.00 0.00 N ATOM 495 CA GLU A 39 0.665 -7.674 0.676 1.00 0.00 C ATOM 496 C GLU A 39 0.006 -8.600 -0.350 1.00 0.00 C ATOM 497 O GLU A 39 0.683 -9.169 -1.203 1.00 0.00 O ATOM 498 CB GLU A 39 0.783 -8.360 2.037 1.00 0.00 C ATOM 499 CG GLU A 39 2.157 -8.109 2.661 1.00 0.00 C ATOM 500 CD GLU A 39 3.216 -9.028 2.046 1.00 0.00 C ATOM 501 OE1 GLU A 39 3.407 -10.157 2.520 1.00 0.00 O ATOM 502 OE2 GLU A 39 3.849 -8.531 1.039 1.00 0.00 O ATOM 0 H GLU A 39 -0.234 -6.107 1.737 1.00 0.00 H new ATOM 0 HA GLU A 39 1.674 -7.444 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.004 -7.990 2.703 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.622 -9.432 1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.443 -7.068 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.107 -8.275 3.737 1.00 0.00 H new ATOM 508 N ARG A 40 -1.309 -8.720 -0.231 1.00 0.00 N ATOM 509 CA ARG A 40 -2.050 -9.669 -1.045 1.00 0.00 C ATOM 510 C ARG A 40 -2.158 -9.162 -2.484 1.00 0.00 C ATOM 511 O ARG A 40 -2.450 -9.932 -3.397 1.00 0.00 O ATOM 512 CB ARG A 40 -3.454 -9.897 -0.484 1.00 0.00 C ATOM 513 CG ARG A 40 -4.234 -8.584 -0.405 1.00 0.00 C ATOM 514 CD ARG A 40 -5.652 -8.754 -0.952 1.00 0.00 C ATOM 515 NE ARG A 40 -6.426 -9.661 -0.075 1.00 0.00 N ATOM 516 CZ ARG A 40 -7.734 -9.948 -0.250 1.00 0.00 C ATOM 517 NH1 ARG A 40 -8.426 -9.400 -1.270 1.00 0.00 N ATOM 518 NH2 ARG A 40 -8.325 -10.776 0.592 1.00 0.00 N ATOM 0 H ARG A 40 -1.880 -8.176 0.416 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.508 -10.614 -1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.991 -10.605 -1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.385 -10.343 0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.278 -8.245 0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.712 -7.812 -0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.146 -7.784 -1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.615 -9.157 -1.964 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.942 -10.096 0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.962 -8.763 -1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.414 -9.623 -1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.794 -11.188 1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.312 -11.004 0.475 1.00 0.00 H new ATOM 528 N CYS A 41 -1.919 -7.869 -2.642 1.00 0.00 N ATOM 529 CA CYS A 41 -2.021 -7.243 -3.949 1.00 0.00 C ATOM 530 C CYS A 41 -0.623 -6.792 -4.377 1.00 0.00 C ATOM 531 O CYS A 41 -0.481 -5.951 -5.264 1.00 0.00 O ATOM 532 CB CYS A 41 -3.018 -6.081 -3.944 1.00 0.00 C ATOM 533 SG CYS A 41 -4.758 -6.565 -3.650 1.00 0.00 S ATOM 0 H CYS A 41 -1.655 -7.237 -1.886 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.406 -7.964 -4.670 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.719 -5.368 -3.176 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.956 -5.563 -4.901 1.00 0.00 H new ATOM 537 N GLN A 42 0.375 -7.372 -3.727 1.00 0.00 N ATOM 538 CA GLN A 42 1.751 -6.954 -3.940 1.00 0.00 C ATOM 539 C GLN A 42 2.105 -7.034 -5.426 1.00 0.00 C ATOM 540 O GLN A 42 2.916 -6.250 -5.918 1.00 0.00 O ATOM 541 CB GLN A 42 2.715 -7.792 -3.100 1.00 0.00 C ATOM 542 CG GLN A 42 2.703 -9.255 -3.548 1.00 0.00 C ATOM 543 CD GLN A 42 3.627 -10.105 -2.673 1.00 0.00 C ATOM 544 OE1 GLN A 42 3.195 -10.848 -1.808 1.00 0.00 O ATOM 545 NE2 GLN A 42 4.921 -9.954 -2.946 1.00 0.00 N ATOM 0 H GLN A 42 0.259 -8.128 -3.052 1.00 0.00 H new ATOM 0 HA GLN A 42 1.850 -5.917 -3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.724 -7.389 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.437 -7.728 -2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.687 -9.646 -3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.019 -9.323 -4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.215 -9.315 -3.684 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.618 -10.478 -2.417 1.00 0.00 H new ATOM 552 N ASN A 43 1.480 -7.988 -6.100 1.00 0.00 N ATOM 553 CA ASN A 43 1.715 -8.176 -7.522 1.00 0.00 C ATOM 554 C ASN A 43 1.251 -6.931 -8.280 1.00 0.00 C ATOM 555 O ASN A 43 1.934 -6.465 -9.191 1.00 0.00 O ATOM 556 CB ASN A 43 0.928 -9.375 -8.056 1.00 0.00 C ATOM 557 CG ASN A 43 1.367 -9.729 -9.478 1.00 0.00 C ATOM 558 OD1 ASN A 43 2.301 -10.482 -9.697 1.00 0.00 O ATOM 559 ND2 ASN A 43 0.641 -9.147 -10.429 1.00 0.00 N ATOM 0 H ASN A 43 0.811 -8.639 -5.688 1.00 0.00 H new ATOM 0 HA ASN A 43 2.781 -8.350 -7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.077 -10.233 -7.401 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.138 -9.148 -8.046 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.854 -9.321 -11.411 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.128 -8.527 -10.176 1.00 0.00 H new ATOM 564 N GLN A 44 0.095 -6.428 -7.877 1.00 0.00 N ATOM 565 CA GLN A 44 -0.572 -5.382 -8.635 1.00 0.00 C ATOM 566 C GLN A 44 0.079 -4.027 -8.352 1.00 0.00 C ATOM 567 O GLN A 44 0.288 -3.232 -9.267 1.00 0.00 O ATOM 568 CB GLN A 44 -2.069 -5.347 -8.321 1.00 0.00 C ATOM 569 CG GLN A 44 -2.819 -4.470 -9.326 1.00 0.00 C ATOM 570 CD GLN A 44 -2.814 -5.104 -10.719 1.00 0.00 C ATOM 571 OE1 GLN A 44 -3.577 -6.006 -11.021 1.00 0.00 O ATOM 572 NE2 GLN A 44 -1.912 -4.583 -11.546 1.00 0.00 N ATOM 0 H GLN A 44 -0.398 -6.725 -7.035 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.462 -5.602 -9.697 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.473 -6.359 -8.344 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.224 -4.964 -7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.846 -4.326 -8.992 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.356 -3.484 -9.370 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.304 -3.828 -11.228 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.828 -4.938 -12.499 1.00 0.00 H new ATOM 579 N GLU A 45 0.381 -3.803 -7.082 1.00 0.00 N ATOM 580 CA GLU A 45 0.991 -2.552 -6.666 1.00 0.00 C ATOM 581 C GLU A 45 2.514 -2.691 -6.626 1.00 0.00 C ATOM 582 O GLU A 45 3.190 -1.949 -5.915 1.00 0.00 O ATOM 583 CB GLU A 45 0.446 -2.101 -5.309 1.00 0.00 C ATOM 584 CG GLU A 45 0.776 -0.630 -5.047 1.00 0.00 C ATOM 585 CD GLU A 45 -0.438 0.113 -4.486 1.00 0.00 C ATOM 586 OE1 GLU A 45 -0.889 1.102 -5.082 1.00 0.00 O ATOM 587 OE2 GLU A 45 -0.916 -0.371 -3.391 1.00 0.00 O ATOM 0 H GLU A 45 0.214 -4.468 -6.326 1.00 0.00 H new ATOM 0 HA GLU A 45 0.735 -1.785 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.634 -2.246 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.871 -2.719 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.606 -0.559 -4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.101 -0.156 -5.973 1.00 0.00 H new ATOM 593 N PHE A 46 3.009 -3.645 -7.400 1.00 0.00 N ATOM 594 CA PHE A 46 4.444 -3.798 -7.575 1.00 0.00 C ATOM 595 C PHE A 46 5.188 -3.517 -6.267 1.00 0.00 C ATOM 596 O PHE A 46 6.187 -2.800 -6.260 1.00 0.00 O ATOM 597 CB PHE A 46 4.879 -2.774 -8.625 1.00 0.00 C ATOM 598 CG PHE A 46 4.251 -1.391 -8.443 1.00 0.00 C ATOM 599 CD1 PHE A 46 3.059 -1.103 -9.032 1.00 0.00 C ATOM 600 CD2 PHE A 46 4.885 -0.450 -7.693 1.00 0.00 C ATOM 601 CE1 PHE A 46 2.476 0.182 -8.862 1.00 0.00 C ATOM 602 CE2 PHE A 46 4.303 0.834 -7.525 1.00 0.00 C ATOM 603 CZ PHE A 46 3.111 1.122 -8.113 1.00 0.00 C ATOM 0 H PHE A 46 2.442 -4.320 -7.913 1.00 0.00 H new ATOM 0 HA PHE A 46 4.675 -4.818 -7.882 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.964 -2.676 -8.594 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.621 -3.151 -9.614 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.556 -1.850 -9.628 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.831 -0.680 -7.225 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.529 0.412 -9.328 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.807 1.582 -6.930 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.668 2.099 -7.985 1.00 0.00 H new ATOM 612 N GLU A 47 4.671 -4.095 -5.193 1.00 0.00 N ATOM 613 CA GLU A 47 5.311 -3.970 -3.895 1.00 0.00 C ATOM 614 C GLU A 47 6.529 -4.891 -3.810 1.00 0.00 C ATOM 615 O GLU A 47 7.576 -4.496 -3.301 1.00 0.00 O ATOM 616 CB GLU A 47 4.322 -4.264 -2.765 1.00 0.00 C ATOM 617 CG GLU A 47 5.015 -4.218 -1.403 1.00 0.00 C ATOM 618 CD GLU A 47 5.713 -2.873 -1.188 1.00 0.00 C ATOM 619 OE1 GLU A 47 5.116 -1.816 -1.443 1.00 0.00 O ATOM 620 OE2 GLU A 47 6.920 -2.950 -0.737 1.00 0.00 O ATOM 0 H GLU A 47 3.816 -4.651 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 47 5.651 -2.941 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.511 -3.536 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.874 -5.246 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.283 -4.382 -0.613 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.744 -5.025 -1.335 1.00 0.00 H new ATOM 626 N SER A 48 6.350 -6.102 -4.317 1.00 0.00 N ATOM 627 CA SER A 48 7.468 -7.014 -4.487 1.00 0.00 C ATOM 628 C SER A 48 8.167 -7.242 -3.145 1.00 0.00 C ATOM 629 O SER A 48 9.393 -7.210 -3.066 1.00 0.00 O ATOM 630 CB SER A 48 8.463 -6.481 -5.520 1.00 0.00 C ATOM 631 OG SER A 48 9.560 -7.370 -5.714 1.00 0.00 O ATOM 0 H SER A 48 5.448 -6.473 -4.615 1.00 0.00 H new ATOM 0 HA SER A 48 7.080 -7.964 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.951 -6.325 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.837 -5.510 -5.196 1.00 0.00 H new ATOM 0 HG SER A 48 9.915 -7.647 -4.843 1.00 0.00 H new ATOM 636 N ALA A 49 7.354 -7.467 -2.122 1.00 0.00 N ATOM 637 CA ALA A 49 7.878 -7.848 -0.822 1.00 0.00 C ATOM 638 C ALA A 49 7.913 -9.374 -0.717 1.00 0.00 C ATOM 639 O ALA A 49 7.111 -10.062 -1.346 1.00 0.00 O ATOM 640 CB ALA A 49 7.027 -7.208 0.278 1.00 0.00 C ATOM 0 H ALA A 49 6.338 -7.393 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 49 8.899 -7.486 -0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.419 -7.493 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.058 -6.123 0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.996 -7.551 0.187 1.00 0.00 H new ATOM 646 N ALA A 50 8.853 -9.859 0.082 1.00 0.00 N ATOM 647 CA ALA A 50 9.141 -11.283 0.119 1.00 0.00 C ATOM 648 C ALA A 50 8.222 -11.959 1.138 1.00 0.00 C ATOM 649 O ALA A 50 8.694 -12.567 2.098 1.00 0.00 O ATOM 650 CB ALA A 50 10.623 -11.494 0.439 1.00 0.00 C ATOM 0 H ALA A 50 9.424 -9.292 0.708 1.00 0.00 H new ATOM 0 HA ALA A 50 8.948 -11.740 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.841 -12.562 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.232 -11.020 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.853 -11.051 1.408 1.00 0.00 H new ATOM 656 N GLY A 51 6.926 -11.831 0.895 1.00 0.00 N ATOM 657 CA GLY A 51 5.939 -12.510 1.719 1.00 0.00 C ATOM 658 C GLY A 51 6.140 -12.179 3.198 1.00 0.00 C ATOM 659 O GLY A 51 5.985 -13.046 4.058 1.00 0.00 O ATOM 0 H GLY A 51 6.536 -11.267 0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.936 -12.215 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.014 -13.587 1.570 1.00 0.00 H new ATOM 663 N SER A 52 6.482 -10.925 3.451 1.00 0.00 N ATOM 664 CA SER A 52 6.833 -10.501 4.796 1.00 0.00 C ATOM 665 C SER A 52 5.571 -10.112 5.569 1.00 0.00 C ATOM 666 O SER A 52 5.506 -9.033 6.156 1.00 0.00 O ATOM 667 CB SER A 52 7.819 -9.331 4.764 1.00 0.00 C ATOM 668 OG SER A 52 7.308 -8.222 4.030 1.00 0.00 O ATOM 0 H SER A 52 6.524 -10.188 2.747 1.00 0.00 H new ATOM 0 HA SER A 52 7.318 -11.336 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.044 -9.018 5.784 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.757 -9.660 4.317 1.00 0.00 H new ATOM 0 HG SER A 52 7.897 -7.449 4.153 1.00 0.00 H new ATOM 673 N THR A 53 4.599 -11.011 5.542 1.00 0.00 N ATOM 674 CA THR A 53 3.236 -10.650 5.889 1.00 0.00 C ATOM 675 C THR A 53 3.155 -10.210 7.353 1.00 0.00 C ATOM 676 O THR A 53 3.115 -11.047 8.254 1.00 0.00 O ATOM 677 CB THR A 53 2.332 -11.841 5.562 1.00 0.00 C ATOM 678 OG1 THR A 53 2.768 -12.264 4.273 1.00 0.00 O ATOM 679 CG2 THR A 53 0.875 -11.430 5.346 1.00 0.00 C ATOM 0 H THR A 53 4.729 -11.990 5.285 1.00 0.00 H new ATOM 0 HA THR A 53 2.895 -9.795 5.306 1.00 0.00 H new ATOM 0 HB THR A 53 2.387 -12.570 6.371 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.969 -11.479 3.722 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.278 -12.313 5.117 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.492 -10.958 6.251 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.815 -10.726 4.516 1.00 0.00 H new ATOM 687 N THR A 54 3.136 -8.900 7.543 1.00 0.00 N ATOM 688 CA THR A 54 2.985 -8.340 8.876 1.00 0.00 C ATOM 689 C THR A 54 1.917 -7.245 8.877 1.00 0.00 C ATOM 690 O THR A 54 1.618 -6.664 7.834 1.00 0.00 O ATOM 691 CB THR A 54 4.358 -7.851 9.341 1.00 0.00 C ATOM 692 OG1 THR A 54 5.237 -8.926 9.020 1.00 0.00 O ATOM 693 CG2 THR A 54 4.453 -7.733 10.864 1.00 0.00 C ATOM 0 H THR A 54 3.223 -8.210 6.797 1.00 0.00 H new ATOM 0 HA THR A 54 2.635 -9.091 9.584 1.00 0.00 H new ATOM 0 HB THR A 54 4.570 -6.882 8.888 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.469 -8.886 8.069 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.447 -7.382 11.140 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.706 -7.024 11.221 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.274 -8.708 11.316 1.00 0.00 H new ATOM 701 N LEU A 55 1.372 -6.994 10.058 1.00 0.00 N ATOM 702 CA LEU A 55 0.335 -5.987 10.206 1.00 0.00 C ATOM 703 C LEU A 55 0.712 -5.036 11.343 1.00 0.00 C ATOM 704 O LEU A 55 0.538 -5.364 12.515 1.00 0.00 O ATOM 705 CB LEU A 55 -1.033 -6.649 10.386 1.00 0.00 C ATOM 706 CG LEU A 55 -2.225 -5.895 9.795 1.00 0.00 C ATOM 707 CD1 LEU A 55 -2.224 -4.431 10.240 1.00 0.00 C ATOM 708 CD2 LEU A 55 -2.260 -6.031 8.272 1.00 0.00 C ATOM 0 H LEU A 55 1.629 -7.471 10.922 1.00 0.00 H new ATOM 0 HA LEU A 55 0.256 -5.386 9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.997 -7.641 9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.209 -6.789 11.452 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.139 -6.347 10.179 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.082 -3.918 9.806 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.284 -4.381 11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.305 -3.949 9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.117 -5.486 7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.343 -5.621 7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.345 -7.084 8.003 1.00 0.00 H new ATOM 719 N GLY A 56 1.223 -3.876 10.957 1.00 0.00 N ATOM 720 CA GLY A 56 1.500 -2.823 11.919 1.00 0.00 C ATOM 721 C GLY A 56 2.766 -2.053 11.539 1.00 0.00 C ATOM 722 O GLY A 56 2.692 -0.902 11.114 1.00 0.00 O ATOM 0 H GLY A 56 1.452 -3.642 9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.654 -2.138 11.967 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.617 -3.255 12.913 1.00 0.00 H new ATOM 726 N PRO A 57 3.929 -2.738 11.713 1.00 0.00 N ATOM 727 CA PRO A 57 5.015 -2.622 10.755 1.00 0.00 C ATOM 728 C PRO A 57 4.704 -3.404 9.477 1.00 0.00 C ATOM 729 O PRO A 57 4.109 -4.479 9.532 1.00 0.00 O ATOM 730 CB PRO A 57 6.241 -3.142 11.487 1.00 0.00 C ATOM 731 CG PRO A 57 5.715 -3.958 12.656 1.00 0.00 C ATOM 732 CD PRO A 57 4.239 -3.636 12.821 1.00 0.00 C ATOM 0 HA PRO A 57 5.173 -1.597 10.419 1.00 0.00 H new ATOM 0 HB2 PRO A 57 6.858 -3.755 10.829 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.866 -2.320 11.835 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.855 -5.023 12.472 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.263 -3.717 13.567 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.630 -4.539 12.781 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.042 -3.161 13.782 1.00 0.00 H new ATOM 737 N GLN A 58 5.121 -2.834 8.356 1.00 0.00 N ATOM 738 CA GLN A 58 4.216 -2.631 7.238 1.00 0.00 C ATOM 739 C GLN A 58 2.768 -2.586 7.728 1.00 0.00 C ATOM 740 O GLN A 58 2.210 -3.610 8.120 1.00 0.00 O ATOM 741 CB GLN A 58 4.403 -3.718 6.177 1.00 0.00 C ATOM 742 CG GLN A 58 4.541 -5.098 6.825 1.00 0.00 C ATOM 743 CD GLN A 58 4.695 -6.189 5.764 1.00 0.00 C ATOM 744 OE1 GLN A 58 3.760 -6.895 5.422 1.00 0.00 O ATOM 745 NE2 GLN A 58 5.924 -6.287 5.263 1.00 0.00 N ATOM 0 H GLN A 58 6.074 -2.506 8.198 1.00 0.00 H new ATOM 0 HA GLN A 58 4.451 -1.673 6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.553 -3.716 5.495 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.290 -3.501 5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.405 -5.107 7.489 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.665 -5.304 7.439 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.661 -5.664 5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.129 -6.985 4.548 1.00 0.00 H new TER 752 GLN A 58