USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 897 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 106 THR OG1 : rot -81:sc= 1.3 USER MOD Set 1.2: A 109 SER OG : rot 136:sc= 1.21 USER MOD Set 2.1: A 16 THR OG1 : rot 140:sc= 0.872 USER MOD Set 2.2: A 31 GLN : amide:sc= 1.03 K(o=1.9,f=0) USER MOD Single : A 1 SER N :NH3+ -173:sc= 0 (180deg=-0.0512) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.272 X(o=0.27,f=-0.057) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 150:sc= 1.29 USER MOD Single : A 22 SER OG : rot -1:sc= 0.196 USER MOD Single : A 24 ASN : amide:sc= 0.864 K(o=0.86,f=-0.011) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 134:sc= 1.67 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.335 USER MOD Single : A 74 MET CE :methyl 172:sc= 0 (180deg=-0.0835) USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 2.36 (180deg=2.29) USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= 0.96 (180deg=0.829) USER MOD Single : A 82 SER OG : rot 140:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -74:sc= 1.24 USER MOD Single : A 90 ASN : amide:sc= 1.21 K(o=1.2,f=-2.8!) USER MOD Single : A 91 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.1) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 57:sc= 1.22 USER MOD Single : A 98 CYS SG : rot 180:sc= -0.0147 USER MOD Single : A 100 THR OG1 : rot -32:sc= 0.866 USER MOD Single : A 101 HIS : no HE2:sc= 0.744 K(o=0.74,f=-2.3!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.088 X(o=-0.088,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.884 -4.210 14.387 1.00 1.76 N ATOM 2 CA SER A 1 17.181 -2.952 14.688 1.00 1.58 C ATOM 3 C SER A 1 17.099 -2.030 13.467 1.00 1.47 C ATOM 4 O SER A 1 16.105 -1.329 13.289 1.00 1.68 O ATOM 5 CB SER A 1 17.921 -2.218 15.813 1.00 2.12 C ATOM 6 OG SER A 1 17.869 -2.965 17.016 1.00 2.71 O ATOM 0 H1 SER A 1 17.813 -4.851 15.203 1.00 1.76 H new ATOM 0 H2 SER A 1 17.451 -4.659 13.555 1.00 1.76 H new ATOM 0 H3 SER A 1 18.885 -4.010 14.190 1.00 1.76 H new ATOM 0 HA SER A 1 16.164 -3.205 14.988 1.00 1.58 H new ATOM 0 HB2 SER A 1 18.959 -2.054 15.525 1.00 2.12 H new ATOM 0 HB3 SER A 1 17.474 -1.236 15.969 1.00 2.12 H new ATOM 0 HG SER A 1 18.348 -2.482 17.722 1.00 2.71 H new ATOM 12 N GLU A 2 18.103 -2.067 12.589 1.00 1.53 N ATOM 13 CA GLU A 2 18.143 -1.326 11.320 1.00 1.53 C ATOM 14 C GLU A 2 17.098 -1.836 10.325 1.00 1.36 C ATOM 15 O GLU A 2 16.429 -1.037 9.662 1.00 1.43 O ATOM 16 CB GLU A 2 19.530 -1.489 10.686 1.00 1.88 C ATOM 17 CG GLU A 2 20.606 -0.715 11.450 1.00 2.45 C ATOM 18 CD GLU A 2 22.029 -1.137 11.077 1.00 3.40 C ATOM 19 OE1 GLU A 2 22.252 -1.903 10.104 1.00 3.94 O ATOM 20 OE2 GLU A 2 22.956 -0.681 11.785 1.00 4.40 O ATOM 0 H GLU A 2 18.939 -2.631 12.743 1.00 1.53 H new ATOM 0 HA GLU A 2 17.928 -0.281 11.542 1.00 1.53 H new ATOM 0 HB2 GLU A 2 19.794 -2.546 10.660 1.00 1.88 H new ATOM 0 HB3 GLU A 2 19.499 -1.142 9.653 1.00 1.88 H new ATOM 0 HG2 GLU A 2 20.486 0.351 11.254 1.00 2.45 H new ATOM 0 HG3 GLU A 2 20.459 -0.861 12.520 1.00 2.45 H new ATOM 27 N ALA A 3 16.897 -3.158 10.261 1.00 1.35 N ATOM 28 CA ALA A 3 15.884 -3.762 9.402 1.00 1.42 C ATOM 29 C ALA A 3 14.461 -3.441 9.892 1.00 1.28 C ATOM 30 O ALA A 3 13.562 -3.228 9.082 1.00 1.42 O ATOM 31 CB ALA A 3 16.145 -5.272 9.367 1.00 1.67 C ATOM 0 H ALA A 3 17.434 -3.834 10.804 1.00 1.35 H new ATOM 0 HA ALA A 3 15.952 -3.349 8.395 1.00 1.42 H new ATOM 0 HB1 ALA A 3 15.403 -5.755 8.731 1.00 1.67 H new ATOM 0 HB2 ALA A 3 17.142 -5.460 8.968 1.00 1.67 H new ATOM 0 HB3 ALA A 3 16.076 -5.677 10.377 1.00 1.67 H new ATOM 37 N LEU A 4 14.276 -3.320 11.215 1.00 1.16 N ATOM 38 CA LEU A 4 13.020 -2.913 11.859 1.00 1.14 C ATOM 39 C LEU A 4 12.701 -1.427 11.625 1.00 1.08 C ATOM 40 O LEU A 4 11.534 -1.052 11.551 1.00 1.16 O ATOM 41 CB LEU A 4 13.164 -3.224 13.366 1.00 1.25 C ATOM 42 CG LEU A 4 12.013 -2.765 14.279 1.00 1.22 C ATOM 43 CD1 LEU A 4 10.743 -3.541 13.997 1.00 1.56 C ATOM 44 CD2 LEU A 4 12.375 -3.024 15.734 1.00 1.60 C ATOM 0 H LEU A 4 15.020 -3.509 11.886 1.00 1.16 H new ATOM 0 HA LEU A 4 12.185 -3.463 11.425 1.00 1.14 H new ATOM 0 HB2 LEU A 4 13.281 -4.302 13.482 1.00 1.25 H new ATOM 0 HB3 LEU A 4 14.085 -2.763 13.722 1.00 1.25 H new ATOM 0 HG LEU A 4 11.854 -1.704 14.088 1.00 1.22 H new ATOM 0 HD11 LEU A 4 9.950 -3.193 14.658 1.00 1.56 H new ATOM 0 HD12 LEU A 4 10.445 -3.387 12.960 1.00 1.56 H new ATOM 0 HD13 LEU A 4 10.919 -4.603 14.170 1.00 1.56 H new ATOM 0 HD21 LEU A 4 11.557 -2.697 16.376 1.00 1.60 H new ATOM 0 HD22 LEU A 4 12.549 -4.090 15.882 1.00 1.60 H new ATOM 0 HD23 LEU A 4 13.279 -2.471 15.988 1.00 1.60 H new ATOM 56 N ALA A 5 13.729 -0.583 11.492 1.00 1.12 N ATOM 57 CA ALA A 5 13.558 0.843 11.223 1.00 1.15 C ATOM 58 C ALA A 5 13.159 1.120 9.758 1.00 1.04 C ATOM 59 O ALA A 5 12.367 2.028 9.492 1.00 1.10 O ATOM 60 CB ALA A 5 14.855 1.553 11.625 1.00 1.45 C ATOM 0 H ALA A 5 14.704 -0.873 11.568 1.00 1.12 H new ATOM 0 HA ALA A 5 12.730 1.234 11.814 1.00 1.15 H new ATOM 0 HB1 ALA A 5 14.758 2.622 11.436 1.00 1.45 H new ATOM 0 HB2 ALA A 5 15.046 1.388 12.685 1.00 1.45 H new ATOM 0 HB3 ALA A 5 15.684 1.154 11.040 1.00 1.45 H new ATOM 66 N LYS A 6 13.654 0.320 8.798 1.00 0.99 N ATOM 67 CA LYS A 6 13.389 0.512 7.360 1.00 0.98 C ATOM 68 C LYS A 6 11.907 0.335 6.997 1.00 0.96 C ATOM 69 O LYS A 6 11.422 1.015 6.101 1.00 1.05 O ATOM 70 CB LYS A 6 14.321 -0.408 6.549 1.00 1.09 C ATOM 71 CG LYS A 6 14.398 -0.007 5.064 1.00 1.25 C ATOM 72 CD LYS A 6 15.508 -0.780 4.335 1.00 1.58 C ATOM 73 CE LYS A 6 15.637 -0.310 2.879 1.00 2.07 C ATOM 74 NZ LYS A 6 16.792 -0.948 2.202 1.00 2.41 N ATOM 0 H LYS A 6 14.252 -0.482 8.998 1.00 0.99 H new ATOM 0 HA LYS A 6 13.610 1.547 7.099 1.00 0.98 H new ATOM 0 HB2 LYS A 6 15.321 -0.380 6.982 1.00 1.09 H new ATOM 0 HB3 LYS A 6 13.969 -1.437 6.627 1.00 1.09 H new ATOM 0 HG2 LYS A 6 13.440 -0.201 4.582 1.00 1.25 H new ATOM 0 HG3 LYS A 6 14.584 1.064 4.983 1.00 1.25 H new ATOM 0 HD2 LYS A 6 16.456 -0.637 4.853 1.00 1.58 H new ATOM 0 HD3 LYS A 6 15.289 -1.848 4.359 1.00 1.58 H new ATOM 0 HE2 LYS A 6 14.721 -0.545 2.337 1.00 2.07 H new ATOM 0 HE3 LYS A 6 15.753 0.774 2.854 1.00 2.07 H new ATOM 0 HZ1 LYS A 6 16.850 -0.609 1.221 1.00 2.41 H new ATOM 0 HZ2 LYS A 6 17.668 -0.703 2.706 1.00 2.41 H new ATOM 0 HZ3 LYS A 6 16.669 -1.981 2.204 1.00 2.41 H new ATOM 88 N LEU A 7 11.158 -0.480 7.746 1.00 0.91 N ATOM 89 CA LEU A 7 9.697 -0.628 7.599 1.00 0.98 C ATOM 90 C LEU A 7 8.920 0.680 7.878 1.00 1.02 C ATOM 91 O LEU A 7 7.854 0.900 7.298 1.00 1.05 O ATOM 92 CB LEU A 7 9.199 -1.769 8.514 1.00 1.01 C ATOM 93 CG LEU A 7 9.210 -3.198 7.934 1.00 1.13 C ATOM 94 CD1 LEU A 7 8.226 -3.357 6.778 1.00 1.22 C ATOM 95 CD2 LEU A 7 10.584 -3.658 7.456 1.00 1.25 C ATOM 0 H LEU A 7 11.550 -1.066 8.483 1.00 0.91 H new ATOM 0 HA LEU A 7 9.499 -0.876 6.556 1.00 0.98 H new ATOM 0 HB2 LEU A 7 9.809 -1.767 9.417 1.00 1.01 H new ATOM 0 HB3 LEU A 7 8.178 -1.536 8.818 1.00 1.01 H new ATOM 0 HG LEU A 7 8.910 -3.827 8.772 1.00 1.13 H new ATOM 0 HD11 LEU A 7 8.269 -4.379 6.402 1.00 1.22 H new ATOM 0 HD12 LEU A 7 7.216 -3.141 7.127 1.00 1.22 H new ATOM 0 HD13 LEU A 7 8.489 -2.665 5.978 1.00 1.22 H new ATOM 0 HD21 LEU A 7 10.512 -4.672 7.062 1.00 1.25 H new ATOM 0 HD22 LEU A 7 10.940 -2.989 6.673 1.00 1.25 H new ATOM 0 HD23 LEU A 7 11.284 -3.643 8.292 1.00 1.25 H new ATOM 107 N ILE A 8 9.443 1.572 8.729 1.00 1.15 N ATOM 108 CA ILE A 8 8.911 2.935 8.901 1.00 1.30 C ATOM 109 C ILE A 8 9.264 3.829 7.699 1.00 1.22 C ATOM 110 O ILE A 8 8.418 4.601 7.243 1.00 1.23 O ATOM 111 CB ILE A 8 9.358 3.533 10.253 1.00 1.54 C ATOM 112 CG1 ILE A 8 8.855 2.688 11.447 1.00 1.68 C ATOM 113 CG2 ILE A 8 8.920 4.999 10.423 1.00 1.71 C ATOM 114 CD1 ILE A 8 7.328 2.573 11.591 1.00 1.81 C ATOM 0 H ILE A 8 10.249 1.371 9.320 1.00 1.15 H new ATOM 0 HA ILE A 8 7.823 2.882 8.929 1.00 1.30 H new ATOM 0 HB ILE A 8 10.448 3.510 10.245 1.00 1.54 H new ATOM 0 HG12 ILE A 8 9.269 1.684 11.357 1.00 1.68 H new ATOM 0 HG13 ILE A 8 9.256 3.117 12.365 1.00 1.68 H new ATOM 0 HG21 ILE A 8 9.260 5.370 11.390 1.00 1.71 H new ATOM 0 HG22 ILE A 8 9.357 5.604 9.628 1.00 1.71 H new ATOM 0 HG23 ILE A 8 7.833 5.062 10.371 1.00 1.71 H new ATOM 0 HD11 ILE A 8 7.090 1.959 12.460 1.00 1.81 H new ATOM 0 HD12 ILE A 8 6.899 3.567 11.720 1.00 1.81 H new ATOM 0 HD13 ILE A 8 6.912 2.111 10.696 1.00 1.81 H new ATOM 126 N SER A 9 10.466 3.680 7.134 1.00 1.18 N ATOM 127 CA SER A 9 10.937 4.452 5.972 1.00 1.21 C ATOM 128 C SER A 9 10.222 4.076 4.669 1.00 1.10 C ATOM 129 O SER A 9 10.013 4.933 3.806 1.00 1.11 O ATOM 130 CB SER A 9 12.442 4.245 5.771 1.00 1.31 C ATOM 131 OG SER A 9 13.174 4.508 6.953 1.00 1.52 O ATOM 0 H SER A 9 11.154 3.008 7.475 1.00 1.18 H new ATOM 0 HA SER A 9 10.711 5.495 6.193 1.00 1.21 H new ATOM 0 HB2 SER A 9 12.628 3.220 5.450 1.00 1.31 H new ATOM 0 HB3 SER A 9 12.795 4.898 4.973 1.00 1.31 H new ATOM 0 HG SER A 9 14.129 4.363 6.786 1.00 1.52 H new ATOM 137 N LEU A 10 9.810 2.811 4.535 1.00 1.08 N ATOM 138 CA LEU A 10 9.139 2.214 3.371 1.00 1.18 C ATOM 139 C LEU A 10 7.788 2.868 3.017 1.00 1.32 C ATOM 140 O LEU A 10 7.293 2.741 1.900 1.00 1.45 O ATOM 141 CB LEU A 10 8.900 0.725 3.706 1.00 1.09 C ATOM 142 CG LEU A 10 9.088 -0.213 2.506 1.00 1.42 C ATOM 143 CD1 LEU A 10 10.574 -0.446 2.227 1.00 2.23 C ATOM 144 CD2 LEU A 10 8.469 -1.571 2.827 1.00 1.81 C ATOM 0 H LEU A 10 9.944 2.132 5.284 1.00 1.08 H new ATOM 0 HA LEU A 10 9.780 2.363 2.502 1.00 1.18 H new ATOM 0 HB2 LEU A 10 9.583 0.426 4.501 1.00 1.09 H new ATOM 0 HB3 LEU A 10 7.888 0.606 4.094 1.00 1.09 H new ATOM 0 HG LEU A 10 8.614 0.248 1.640 1.00 1.42 H new ATOM 0 HD11 LEU A 10 10.683 -1.114 1.372 1.00 2.23 H new ATOM 0 HD12 LEU A 10 11.057 0.506 2.008 1.00 2.23 H new ATOM 0 HD13 LEU A 10 11.042 -0.897 3.102 1.00 2.23 H new ATOM 0 HD21 LEU A 10 8.600 -2.241 1.977 1.00 1.81 H new ATOM 0 HD22 LEU A 10 8.959 -1.996 3.703 1.00 1.81 H new ATOM 0 HD23 LEU A 10 7.405 -1.447 3.030 1.00 1.81 H new ATOM 156 N GLN A 11 7.170 3.520 4.002 1.00 1.35 N ATOM 157 CA GLN A 11 5.796 4.014 3.953 1.00 1.41 C ATOM 158 C GLN A 11 5.624 5.302 3.124 1.00 1.43 C ATOM 159 O GLN A 11 6.572 6.067 2.909 1.00 1.74 O ATOM 160 CB GLN A 11 5.275 4.101 5.387 1.00 1.48 C ATOM 161 CG GLN A 11 4.925 2.689 5.868 1.00 1.47 C ATOM 162 CD GLN A 11 4.440 2.744 7.294 1.00 1.65 C ATOM 163 OE1 GLN A 11 3.378 3.272 7.598 1.00 1.92 O ATOM 164 NE2 GLN A 11 5.213 2.249 8.220 1.00 2.49 N ATOM 0 H GLN A 11 7.631 3.726 4.888 1.00 1.35 H new ATOM 0 HA GLN A 11 5.175 3.309 3.401 1.00 1.41 H new ATOM 0 HB2 GLN A 11 6.029 4.546 6.037 1.00 1.48 H new ATOM 0 HB3 GLN A 11 4.396 4.744 5.432 1.00 1.48 H new ATOM 0 HG2 GLN A 11 4.155 2.257 5.228 1.00 1.47 H new ATOM 0 HG3 GLN A 11 5.800 2.043 5.796 1.00 1.47 H new ATOM 0 HE21 GLN A 11 6.097 1.809 7.965 1.00 2.49 H new ATOM 0 HE22 GLN A 11 4.933 2.301 9.200 1.00 2.49 H new ATOM 173 N ALA A 12 4.400 5.513 2.625 1.00 1.28 N ATOM 174 CA ALA A 12 4.071 6.537 1.630 1.00 1.34 C ATOM 175 C ALA A 12 3.510 7.843 2.223 1.00 1.43 C ATOM 176 O ALA A 12 3.699 8.901 1.626 1.00 3.03 O ATOM 177 CB ALA A 12 3.092 5.912 0.629 1.00 1.43 C ATOM 0 H ALA A 12 3.591 4.961 2.910 1.00 1.28 H new ATOM 0 HA ALA A 12 4.996 6.844 1.141 1.00 1.34 H new ATOM 0 HB1 ALA A 12 2.825 6.650 -0.128 1.00 1.43 H new ATOM 0 HB2 ALA A 12 3.561 5.053 0.149 1.00 1.43 H new ATOM 0 HB3 ALA A 12 2.193 5.589 1.153 1.00 1.43 H new ATOM 183 N THR A 13 2.848 7.786 3.385 1.00 1.76 N ATOM 184 CA THR A 13 2.395 8.938 4.208 1.00 1.84 C ATOM 185 C THR A 13 1.292 9.833 3.605 1.00 1.51 C ATOM 186 O THR A 13 0.473 10.370 4.351 1.00 1.66 O ATOM 187 CB THR A 13 3.593 9.796 4.672 1.00 2.20 C ATOM 188 OG1 THR A 13 4.686 8.983 5.053 1.00 2.99 O ATOM 189 CG2 THR A 13 3.274 10.674 5.882 1.00 2.54 C ATOM 0 H THR A 13 2.596 6.893 3.808 1.00 1.76 H new ATOM 0 HA THR A 13 1.911 8.461 5.060 1.00 1.84 H new ATOM 0 HB THR A 13 3.832 10.423 3.813 1.00 2.20 H new ATOM 0 HG1 THR A 13 5.431 9.551 5.341 1.00 2.99 H new ATOM 0 HG21 THR A 13 4.158 11.250 6.156 1.00 2.54 H new ATOM 0 HG22 THR A 13 2.460 11.354 5.633 1.00 2.54 H new ATOM 0 HG23 THR A 13 2.977 10.044 6.720 1.00 2.54 H new ATOM 197 N GLU A 14 1.193 9.969 2.281 1.00 1.17 N ATOM 198 CA GLU A 14 0.204 10.793 1.565 1.00 0.99 C ATOM 199 C GLU A 14 -0.347 10.062 0.325 1.00 0.75 C ATOM 200 O GLU A 14 0.349 9.236 -0.277 1.00 0.83 O ATOM 201 CB GLU A 14 0.805 12.178 1.260 1.00 1.37 C ATOM 202 CG GLU A 14 1.989 12.172 0.278 1.00 1.58 C ATOM 203 CD GLU A 14 2.873 13.423 0.402 1.00 2.36 C ATOM 204 OE1 GLU A 14 2.406 14.506 0.827 1.00 3.53 O ATOM 205 OE2 GLU A 14 4.089 13.339 0.109 1.00 2.82 O ATOM 0 H GLU A 14 1.828 9.487 1.645 1.00 1.17 H new ATOM 0 HA GLU A 14 -0.665 10.959 2.202 1.00 0.99 H new ATOM 0 HB2 GLU A 14 0.020 12.817 0.855 1.00 1.37 H new ATOM 0 HB3 GLU A 14 1.132 12.630 2.197 1.00 1.37 H new ATOM 0 HG2 GLU A 14 2.597 11.285 0.454 1.00 1.58 H new ATOM 0 HG3 GLU A 14 1.609 12.101 -0.741 1.00 1.58 H new ATOM 212 N ALA A 15 -1.626 10.284 0.000 1.00 0.68 N ATOM 213 CA ALA A 15 -2.371 9.514 -1.006 1.00 0.66 C ATOM 214 C ALA A 15 -3.395 10.351 -1.804 1.00 0.62 C ATOM 215 O ALA A 15 -3.861 11.391 -1.335 1.00 0.77 O ATOM 216 CB ALA A 15 -3.060 8.351 -0.279 1.00 0.76 C ATOM 0 H ALA A 15 -2.184 11.018 0.437 1.00 0.68 H new ATOM 0 HA ALA A 15 -1.665 9.154 -1.755 1.00 0.66 H new ATOM 0 HB1 ALA A 15 -3.624 7.756 -0.997 1.00 0.76 H new ATOM 0 HB2 ALA A 15 -2.308 7.724 0.200 1.00 0.76 H new ATOM 0 HB3 ALA A 15 -3.738 8.746 0.478 1.00 0.76 H new ATOM 222 N THR A 16 -3.808 9.838 -2.972 1.00 0.61 N ATOM 223 CA THR A 16 -4.867 10.433 -3.816 1.00 0.57 C ATOM 224 C THR A 16 -6.124 9.559 -3.878 1.00 0.47 C ATOM 225 O THR A 16 -6.123 8.467 -4.449 1.00 0.59 O ATOM 226 CB THR A 16 -4.343 10.770 -5.217 1.00 0.86 C ATOM 227 OG1 THR A 16 -3.263 11.666 -5.086 1.00 1.19 O ATOM 228 CG2 THR A 16 -5.387 11.463 -6.093 1.00 0.87 C ATOM 0 H THR A 16 -3.413 8.985 -3.367 1.00 0.61 H new ATOM 0 HA THR A 16 -5.162 11.368 -3.340 1.00 0.57 H new ATOM 0 HB THR A 16 -4.063 9.827 -5.687 1.00 0.86 H new ATOM 0 HG1 THR A 16 -2.561 11.429 -5.728 1.00 1.19 H new ATOM 0 HG21 THR A 16 -4.957 11.676 -7.072 1.00 0.87 H new ATOM 0 HG22 THR A 16 -6.253 10.812 -6.211 1.00 0.87 H new ATOM 0 HG23 THR A 16 -5.696 12.396 -5.622 1.00 0.87 H new ATOM 236 N ILE A 17 -7.210 10.065 -3.294 1.00 0.41 N ATOM 237 CA ILE A 17 -8.546 9.462 -3.254 1.00 0.46 C ATOM 238 C ILE A 17 -9.270 9.707 -4.583 1.00 0.56 C ATOM 239 O ILE A 17 -9.119 10.772 -5.171 1.00 0.70 O ATOM 240 CB ILE A 17 -9.364 10.093 -2.091 1.00 0.46 C ATOM 241 CG1 ILE A 17 -8.675 9.897 -0.720 1.00 0.47 C ATOM 242 CG2 ILE A 17 -10.808 9.557 -2.072 1.00 0.57 C ATOM 243 CD1 ILE A 17 -9.415 10.521 0.469 1.00 0.53 C ATOM 0 H ILE A 17 -7.181 10.960 -2.806 1.00 0.41 H new ATOM 0 HA ILE A 17 -8.450 8.388 -3.093 1.00 0.46 H new ATOM 0 HB ILE A 17 -9.405 11.167 -2.275 1.00 0.46 H new ATOM 0 HG12 ILE A 17 -8.559 8.829 -0.537 1.00 0.47 H new ATOM 0 HG13 ILE A 17 -7.673 10.322 -0.769 1.00 0.47 H new ATOM 0 HG21 ILE A 17 -11.356 10.016 -1.249 1.00 0.57 H new ATOM 0 HG22 ILE A 17 -11.299 9.800 -3.014 1.00 0.57 H new ATOM 0 HG23 ILE A 17 -10.793 8.475 -1.939 1.00 0.57 H new ATOM 0 HD11 ILE A 17 -8.856 10.332 1.385 1.00 0.53 H new ATOM 0 HD12 ILE A 17 -9.508 11.596 0.316 1.00 0.53 H new ATOM 0 HD13 ILE A 17 -10.408 10.079 0.552 1.00 0.53 H new ATOM 255 N VAL A 18 -10.101 8.766 -5.030 1.00 0.56 N ATOM 256 CA VAL A 18 -11.064 8.998 -6.121 1.00 0.61 C ATOM 257 C VAL A 18 -12.474 8.984 -5.520 1.00 0.81 C ATOM 258 O VAL A 18 -12.928 7.972 -4.979 1.00 0.92 O ATOM 259 CB VAL A 18 -10.874 8.022 -7.297 1.00 0.76 C ATOM 260 CG1 VAL A 18 -11.825 8.360 -8.453 1.00 1.76 C ATOM 261 CG2 VAL A 18 -9.427 8.029 -7.809 1.00 1.46 C ATOM 0 H VAL A 18 -10.130 7.820 -4.650 1.00 0.56 H new ATOM 0 HA VAL A 18 -10.889 9.975 -6.571 1.00 0.61 H new ATOM 0 HB VAL A 18 -11.106 7.025 -6.922 1.00 0.76 H new ATOM 0 HG11 VAL A 18 -11.670 7.655 -9.270 1.00 1.76 H new ATOM 0 HG12 VAL A 18 -12.856 8.293 -8.107 1.00 1.76 H new ATOM 0 HG13 VAL A 18 -11.625 9.372 -8.804 1.00 1.76 H new ATOM 0 HG21 VAL A 18 -9.331 7.328 -8.639 1.00 1.46 H new ATOM 0 HG22 VAL A 18 -9.166 9.031 -8.149 1.00 1.46 H new ATOM 0 HG23 VAL A 18 -8.755 7.732 -7.004 1.00 1.46 H new ATOM 271 N THR A 19 -13.155 10.130 -5.572 1.00 1.07 N ATOM 272 CA THR A 19 -14.487 10.377 -4.998 1.00 1.43 C ATOM 273 C THR A 19 -15.530 10.466 -6.118 1.00 1.50 C ATOM 274 O THR A 19 -15.282 11.074 -7.164 1.00 1.34 O ATOM 275 CB THR A 19 -14.464 11.649 -4.127 1.00 1.58 C ATOM 276 OG1 THR A 19 -13.720 11.437 -2.936 1.00 1.73 O ATOM 277 CG2 THR A 19 -15.856 12.061 -3.666 1.00 1.89 C ATOM 0 H THR A 19 -12.777 10.955 -6.038 1.00 1.07 H new ATOM 0 HA THR A 19 -14.766 9.545 -4.351 1.00 1.43 H new ATOM 0 HB THR A 19 -14.021 12.419 -4.758 1.00 1.58 H new ATOM 0 HG1 THR A 19 -13.310 12.280 -2.652 1.00 1.73 H new ATOM 0 HG21 THR A 19 -15.786 12.962 -3.056 1.00 1.89 H new ATOM 0 HG22 THR A 19 -16.483 12.259 -4.535 1.00 1.89 H new ATOM 0 HG23 THR A 19 -16.297 11.257 -3.076 1.00 1.89 H new ATOM 285 N LEU A 20 -16.719 9.888 -5.898 1.00 1.86 N ATOM 286 CA LEU A 20 -17.845 10.000 -6.829 1.00 2.07 C ATOM 287 C LEU A 20 -18.597 11.308 -6.539 1.00 2.18 C ATOM 288 O LEU A 20 -19.425 11.376 -5.630 1.00 2.54 O ATOM 289 CB LEU A 20 -18.751 8.750 -6.752 1.00 2.66 C ATOM 290 CG LEU A 20 -18.019 7.405 -6.953 1.00 2.91 C ATOM 291 CD1 LEU A 20 -18.969 6.237 -6.686 1.00 3.75 C ATOM 292 CD2 LEU A 20 -17.455 7.267 -8.369 1.00 2.65 C ATOM 0 H LEU A 20 -16.925 9.330 -5.069 1.00 1.86 H new ATOM 0 HA LEU A 20 -17.484 10.040 -7.857 1.00 2.07 H new ATOM 0 HB2 LEU A 20 -19.246 8.737 -5.781 1.00 2.66 H new ATOM 0 HB3 LEU A 20 -19.533 8.838 -7.507 1.00 2.66 H new ATOM 0 HG LEU A 20 -17.190 7.386 -6.245 1.00 2.91 H new ATOM 0 HD11 LEU A 20 -18.439 5.296 -6.832 1.00 3.75 H new ATOM 0 HD12 LEU A 20 -19.335 6.292 -5.661 1.00 3.75 H new ATOM 0 HD13 LEU A 20 -19.812 6.289 -7.375 1.00 3.75 H new ATOM 0 HD21 LEU A 20 -16.948 6.307 -8.467 1.00 2.65 H new ATOM 0 HD22 LEU A 20 -18.269 7.323 -9.092 1.00 2.65 H new ATOM 0 HD23 LEU A 20 -16.745 8.073 -8.558 1.00 2.65 H new ATOM 304 N ASP A 21 -18.279 12.377 -7.268 1.00 2.22 N ATOM 305 CA ASP A 21 -18.821 13.725 -7.013 1.00 2.59 C ATOM 306 C ASP A 21 -20.293 13.896 -7.467 1.00 2.88 C ATOM 307 O ASP A 21 -20.976 14.813 -7.009 1.00 3.35 O ATOM 308 CB ASP A 21 -17.869 14.797 -7.588 1.00 2.54 C ATOM 309 CG ASP A 21 -17.387 15.770 -6.505 1.00 3.24 C ATOM 310 OD1 ASP A 21 -18.234 16.333 -5.778 1.00 3.58 O ATOM 311 OD2 ASP A 21 -16.156 15.972 -6.346 1.00 4.07 O ATOM 0 H ASP A 21 -17.635 12.339 -8.058 1.00 2.22 H new ATOM 0 HA ASP A 21 -18.865 13.866 -5.933 1.00 2.59 H new ATOM 0 HB2 ASP A 21 -17.009 14.310 -8.048 1.00 2.54 H new ATOM 0 HB3 ASP A 21 -18.380 15.352 -8.375 1.00 2.54 H new ATOM 316 N SER A 22 -20.776 12.962 -8.298 1.00 2.81 N ATOM 317 CA SER A 22 -22.187 12.756 -8.678 1.00 3.24 C ATOM 318 C SER A 22 -22.474 11.277 -9.006 1.00 3.41 C ATOM 319 O SER A 22 -21.615 10.588 -9.551 1.00 3.68 O ATOM 320 CB SER A 22 -22.685 13.636 -9.841 1.00 3.34 C ATOM 321 OG SER A 22 -22.566 15.028 -9.594 1.00 3.35 O ATOM 0 H SER A 22 -20.159 12.289 -8.752 1.00 2.81 H new ATOM 0 HA SER A 22 -22.744 13.066 -7.794 1.00 3.24 H new ATOM 0 HB2 SER A 22 -22.123 13.386 -10.741 1.00 3.34 H new ATOM 0 HB3 SER A 22 -23.730 13.400 -10.042 1.00 3.34 H new ATOM 0 HG SER A 22 -22.192 15.171 -8.699 1.00 3.35 H new ATOM 327 N ASP A 23 -23.694 10.839 -8.678 1.00 3.97 N ATOM 328 CA ASP A 23 -24.326 9.493 -8.627 1.00 4.41 C ATOM 329 C ASP A 23 -23.667 8.346 -9.434 1.00 4.43 C ATOM 330 O ASP A 23 -24.248 7.818 -10.384 1.00 4.89 O ATOM 331 CB ASP A 23 -25.815 9.682 -8.991 1.00 4.95 C ATOM 332 CG ASP A 23 -26.679 8.436 -8.773 1.00 5.42 C ATOM 333 OD1 ASP A 23 -26.528 7.742 -7.736 1.00 6.19 O ATOM 334 OD2 ASP A 23 -27.581 8.172 -9.603 1.00 5.45 O ATOM 0 H ASP A 23 -24.385 11.533 -8.392 1.00 3.97 H new ATOM 0 HA ASP A 23 -24.180 9.125 -7.612 1.00 4.41 H new ATOM 0 HB2 ASP A 23 -26.221 10.500 -8.397 1.00 4.95 H new ATOM 0 HB3 ASP A 23 -25.886 9.981 -10.037 1.00 4.95 H new ATOM 339 N ASN A 24 -22.438 7.958 -9.070 1.00 4.16 N ATOM 340 CA ASN A 24 -21.523 7.067 -9.819 1.00 4.14 C ATOM 341 C ASN A 24 -21.128 7.593 -11.230 1.00 4.06 C ATOM 342 O ASN A 24 -20.169 7.108 -11.837 1.00 4.06 O ATOM 343 CB ASN A 24 -22.100 5.629 -9.833 1.00 4.71 C ATOM 344 CG ASN A 24 -21.115 4.486 -9.912 1.00 4.51 C ATOM 345 OD1 ASN A 24 -21.337 3.409 -9.369 1.00 5.45 O ATOM 346 ND2 ASN A 24 -20.016 4.644 -10.585 1.00 4.10 N ATOM 0 H ASN A 24 -22.025 8.273 -8.192 1.00 4.16 H new ATOM 0 HA ASN A 24 -20.570 7.052 -9.289 1.00 4.14 H new ATOM 0 HB2 ASN A 24 -22.698 5.497 -8.931 1.00 4.71 H new ATOM 0 HB3 ASN A 24 -22.780 5.547 -10.681 1.00 4.71 H new ATOM 0 HD21 ASN A 24 -19.348 3.877 -10.658 1.00 4.10 H new ATOM 0 HD22 ASN A 24 -19.821 5.535 -11.041 1.00 4.10 H new ATOM 353 N ILE A 25 -21.832 8.593 -11.756 1.00 4.09 N ATOM 354 CA ILE A 25 -21.666 9.223 -13.069 1.00 4.13 C ATOM 355 C ILE A 25 -20.468 10.180 -13.190 1.00 3.62 C ATOM 356 O ILE A 25 -19.946 10.364 -14.298 1.00 3.74 O ATOM 357 CB ILE A 25 -22.990 9.953 -13.415 1.00 4.43 C ATOM 358 CG1 ILE A 25 -23.546 10.854 -12.291 1.00 4.29 C ATOM 359 CG2 ILE A 25 -24.013 8.897 -13.872 1.00 4.94 C ATOM 360 CD1 ILE A 25 -24.691 11.772 -12.736 1.00 4.55 C ATOM 0 H ILE A 25 -22.597 9.020 -11.234 1.00 4.09 H new ATOM 0 HA ILE A 25 -21.441 8.429 -13.781 1.00 4.13 H new ATOM 0 HB ILE A 25 -22.780 10.658 -14.220 1.00 4.43 H new ATOM 0 HG12 ILE A 25 -23.896 10.223 -11.474 1.00 4.29 H new ATOM 0 HG13 ILE A 25 -22.736 11.467 -11.896 1.00 4.29 H new ATOM 0 HG21 ILE A 25 -24.954 9.386 -14.121 1.00 4.94 H new ATOM 0 HG22 ILE A 25 -23.631 8.376 -14.750 1.00 4.94 H new ATOM 0 HG23 ILE A 25 -24.179 8.180 -13.068 1.00 4.94 H new ATOM 0 HD11 ILE A 25 -25.026 12.372 -11.890 1.00 4.55 H new ATOM 0 HD12 ILE A 25 -24.342 12.430 -13.532 1.00 4.55 H new ATOM 0 HD13 ILE A 25 -25.520 11.167 -13.103 1.00 4.55 H new ATOM 372 N LEU A 26 -20.018 10.780 -12.084 1.00 3.16 N ATOM 373 CA LEU A 26 -18.990 11.827 -12.057 1.00 2.69 C ATOM 374 C LEU A 26 -17.833 11.464 -11.121 1.00 2.48 C ATOM 375 O LEU A 26 -18.040 11.169 -9.945 1.00 3.14 O ATOM 376 CB LEU A 26 -19.650 13.150 -11.647 1.00 2.53 C ATOM 377 CG LEU A 26 -18.714 14.364 -11.529 1.00 2.27 C ATOM 378 CD1 LEU A 26 -18.142 14.738 -12.887 1.00 2.51 C ATOM 379 CD2 LEU A 26 -19.477 15.573 -10.999 1.00 2.58 C ATOM 0 H LEU A 26 -20.368 10.545 -11.155 1.00 3.16 H new ATOM 0 HA LEU A 26 -18.556 11.929 -13.052 1.00 2.69 H new ATOM 0 HB2 LEU A 26 -20.427 13.385 -12.374 1.00 2.53 H new ATOM 0 HB3 LEU A 26 -20.145 13.004 -10.687 1.00 2.53 H new ATOM 0 HG LEU A 26 -17.910 14.090 -10.846 1.00 2.27 H new ATOM 0 HD11 LEU A 26 -17.483 15.599 -12.779 1.00 2.51 H new ATOM 0 HD12 LEU A 26 -17.577 13.897 -13.288 1.00 2.51 H new ATOM 0 HD13 LEU A 26 -18.956 14.987 -13.569 1.00 2.51 H new ATOM 0 HD21 LEU A 26 -18.801 16.424 -10.921 1.00 2.58 H new ATOM 0 HD22 LEU A 26 -20.291 15.817 -11.682 1.00 2.58 H new ATOM 0 HD23 LEU A 26 -19.885 15.343 -10.015 1.00 2.58 H new ATOM 391 N LEU A 27 -16.613 11.556 -11.649 1.00 1.90 N ATOM 392 CA LEU A 27 -15.367 11.306 -10.919 1.00 1.67 C ATOM 393 C LEU A 27 -14.581 12.598 -10.647 1.00 1.46 C ATOM 394 O LEU A 27 -14.443 13.469 -11.516 1.00 1.81 O ATOM 395 CB LEU A 27 -14.510 10.255 -11.654 1.00 1.84 C ATOM 396 CG LEU A 27 -14.846 8.790 -11.305 1.00 2.36 C ATOM 397 CD1 LEU A 27 -16.241 8.344 -11.751 1.00 2.74 C ATOM 398 CD2 LEU A 27 -13.822 7.873 -11.972 1.00 2.72 C ATOM 0 H LEU A 27 -16.458 11.814 -12.624 1.00 1.90 H new ATOM 0 HA LEU A 27 -15.633 10.902 -9.942 1.00 1.67 H new ATOM 0 HB2 LEU A 27 -14.630 10.395 -12.728 1.00 1.84 H new ATOM 0 HB3 LEU A 27 -13.460 10.437 -11.424 1.00 1.84 H new ATOM 0 HG LEU A 27 -14.820 8.724 -10.217 1.00 2.36 H new ATOM 0 HD11 LEU A 27 -16.398 7.303 -11.468 1.00 2.74 H new ATOM 0 HD12 LEU A 27 -16.994 8.968 -11.270 1.00 2.74 H new ATOM 0 HD13 LEU A 27 -16.326 8.443 -12.833 1.00 2.74 H new ATOM 0 HD21 LEU A 27 -14.052 6.835 -11.731 1.00 2.72 H new ATOM 0 HD22 LEU A 27 -13.859 8.011 -13.053 1.00 2.72 H new ATOM 0 HD23 LEU A 27 -12.824 8.118 -11.609 1.00 2.72 H new ATOM 410 N SER A 28 -14.046 12.702 -9.430 1.00 1.12 N ATOM 411 CA SER A 28 -13.073 13.720 -9.026 1.00 0.97 C ATOM 412 C SER A 28 -12.029 13.119 -8.081 1.00 0.87 C ATOM 413 O SER A 28 -12.377 12.425 -7.124 1.00 1.02 O ATOM 414 CB SER A 28 -13.784 14.895 -8.354 1.00 1.13 C ATOM 415 OG SER A 28 -12.841 15.911 -8.075 1.00 1.46 O ATOM 0 H SER A 28 -14.285 12.060 -8.674 1.00 1.12 H new ATOM 0 HA SER A 28 -12.562 14.084 -9.918 1.00 0.97 H new ATOM 0 HB2 SER A 28 -14.570 15.280 -9.004 1.00 1.13 H new ATOM 0 HB3 SER A 28 -14.265 14.566 -7.433 1.00 1.13 H new ATOM 0 HG SER A 28 -13.292 16.667 -7.646 1.00 1.46 H new ATOM 421 N GLU A 29 -10.749 13.372 -8.344 1.00 0.87 N ATOM 422 CA GLU A 29 -9.630 12.856 -7.551 1.00 0.78 C ATOM 423 C GLU A 29 -9.116 13.926 -6.563 1.00 0.74 C ATOM 424 O GLU A 29 -8.974 15.094 -6.933 1.00 0.87 O ATOM 425 CB GLU A 29 -8.540 12.256 -8.461 1.00 0.93 C ATOM 426 CG GLU A 29 -9.071 11.349 -9.595 1.00 1.02 C ATOM 427 CD GLU A 29 -9.328 12.065 -10.942 1.00 1.56 C ATOM 428 OE1 GLU A 29 -9.698 13.264 -10.978 1.00 2.75 O ATOM 429 OE2 GLU A 29 -9.160 11.414 -12.004 1.00 2.29 O ATOM 0 H GLU A 29 -10.452 13.952 -9.129 1.00 0.87 H new ATOM 0 HA GLU A 29 -9.978 12.030 -6.931 1.00 0.78 H new ATOM 0 HB2 GLU A 29 -7.967 13.071 -8.904 1.00 0.93 H new ATOM 0 HB3 GLU A 29 -7.850 11.679 -7.846 1.00 0.93 H new ATOM 0 HG2 GLU A 29 -8.355 10.544 -9.760 1.00 1.02 H new ATOM 0 HG3 GLU A 29 -10.001 10.886 -9.264 1.00 1.02 H new ATOM 436 N GLU A 30 -8.853 13.550 -5.306 1.00 0.64 N ATOM 437 CA GLU A 30 -8.615 14.443 -4.153 1.00 0.69 C ATOM 438 C GLU A 30 -7.356 14.024 -3.357 1.00 0.75 C ATOM 439 O GLU A 30 -7.210 12.844 -3.043 1.00 0.77 O ATOM 440 CB GLU A 30 -9.866 14.442 -3.226 1.00 0.94 C ATOM 441 CG GLU A 30 -11.223 14.289 -3.951 1.00 1.31 C ATOM 442 CD GLU A 30 -12.443 14.678 -3.101 1.00 2.20 C ATOM 443 OE1 GLU A 30 -12.870 13.911 -2.201 1.00 3.42 O ATOM 444 OE2 GLU A 30 -13.032 15.760 -3.360 1.00 2.78 O ATOM 0 H GLU A 30 -8.796 12.565 -5.046 1.00 0.64 H new ATOM 0 HA GLU A 30 -8.441 15.450 -4.532 1.00 0.69 H new ATOM 0 HB2 GLU A 30 -9.764 13.630 -2.506 1.00 0.94 H new ATOM 0 HB3 GLU A 30 -9.878 15.372 -2.658 1.00 0.94 H new ATOM 0 HG2 GLU A 30 -11.212 14.903 -4.851 1.00 1.31 H new ATOM 0 HG3 GLU A 30 -11.335 13.254 -4.273 1.00 1.31 H new ATOM 451 N GLN A 31 -6.439 14.938 -2.999 1.00 0.92 N ATOM 452 CA GLN A 31 -5.140 14.581 -2.379 1.00 0.94 C ATOM 453 C GLN A 31 -5.108 14.859 -0.859 1.00 0.96 C ATOM 454 O GLN A 31 -5.479 15.955 -0.421 1.00 1.12 O ATOM 455 CB GLN A 31 -3.969 15.275 -3.108 1.00 1.06 C ATOM 456 CG GLN A 31 -4.018 15.155 -4.638 1.00 1.33 C ATOM 457 CD GLN A 31 -2.633 15.321 -5.205 1.00 1.49 C ATOM 458 OE1 GLN A 31 -2.064 16.397 -5.319 1.00 1.93 O ATOM 459 NE2 GLN A 31 -1.976 14.206 -5.371 1.00 1.57 N ATOM 0 H GLN A 31 -6.570 15.941 -3.128 1.00 0.92 H new ATOM 0 HA GLN A 31 -5.020 13.504 -2.494 1.00 0.94 H new ATOM 0 HB2 GLN A 31 -3.963 16.331 -2.838 1.00 1.06 H new ATOM 0 HB3 GLN A 31 -3.031 14.849 -2.752 1.00 1.06 H new ATOM 0 HG2 GLN A 31 -4.424 14.185 -4.923 1.00 1.33 H new ATOM 0 HG3 GLN A 31 -4.684 15.913 -5.051 1.00 1.33 H new ATOM 0 HE21 GLN A 31 -2.457 13.312 -5.274 1.00 1.57 H new ATOM 0 HE22 GLN A 31 -0.982 14.229 -5.597 1.00 1.57 H new ATOM 468 N VAL A 32 -4.684 13.871 -0.057 1.00 0.85 N ATOM 469 CA VAL A 32 -4.738 13.876 1.427 1.00 0.90 C ATOM 470 C VAL A 32 -3.514 13.214 2.096 1.00 0.91 C ATOM 471 O VAL A 32 -2.607 12.726 1.420 1.00 0.76 O ATOM 472 CB VAL A 32 -6.030 13.182 1.925 1.00 0.90 C ATOM 473 CG1 VAL A 32 -7.316 13.726 1.293 1.00 0.93 C ATOM 474 CG2 VAL A 32 -6.021 11.670 1.687 1.00 0.85 C ATOM 0 H VAL A 32 -4.278 13.012 -0.429 1.00 0.85 H new ATOM 0 HA VAL A 32 -4.732 14.926 1.719 1.00 0.90 H new ATOM 0 HB VAL A 32 -6.031 13.404 2.992 1.00 0.90 H new ATOM 0 HG11 VAL A 32 -8.175 13.188 1.694 1.00 0.93 H new ATOM 0 HG12 VAL A 32 -7.413 14.787 1.522 1.00 0.93 H new ATOM 0 HG13 VAL A 32 -7.276 13.591 0.212 1.00 0.93 H new ATOM 0 HG21 VAL A 32 -6.951 11.238 2.056 1.00 0.85 H new ATOM 0 HG22 VAL A 32 -5.926 11.470 0.620 1.00 0.85 H new ATOM 0 HG23 VAL A 32 -5.179 11.223 2.216 1.00 0.85 H new ATOM 484 N ASP A 33 -3.489 13.174 3.433 1.00 1.23 N ATOM 485 CA ASP A 33 -2.558 12.353 4.231 1.00 1.37 C ATOM 486 C ASP A 33 -3.172 10.967 4.531 1.00 1.35 C ATOM 487 O ASP A 33 -4.385 10.840 4.701 1.00 1.31 O ATOM 488 CB ASP A 33 -2.167 13.061 5.538 1.00 1.62 C ATOM 489 CG ASP A 33 -1.124 14.155 5.325 1.00 1.69 C ATOM 490 OD1 ASP A 33 -1.473 15.301 4.961 1.00 2.67 O ATOM 491 OD2 ASP A 33 0.086 13.902 5.514 1.00 2.44 O ATOM 0 H ASP A 33 -4.129 13.723 4.008 1.00 1.23 H new ATOM 0 HA ASP A 33 -1.652 12.212 3.641 1.00 1.37 H new ATOM 0 HB2 ASP A 33 -3.058 13.497 5.991 1.00 1.62 H new ATOM 0 HB3 ASP A 33 -1.778 12.326 6.243 1.00 1.62 H new ATOM 496 N VAL A 34 -2.346 9.918 4.621 1.00 1.45 N ATOM 497 CA VAL A 34 -2.810 8.525 4.826 1.00 1.51 C ATOM 498 C VAL A 34 -3.514 8.293 6.176 1.00 1.58 C ATOM 499 O VAL A 34 -4.337 7.387 6.294 1.00 1.59 O ATOM 500 CB VAL A 34 -1.672 7.518 4.570 1.00 1.73 C ATOM 501 CG1 VAL A 34 -0.656 7.443 5.709 1.00 2.07 C ATOM 502 CG2 VAL A 34 -2.208 6.109 4.306 1.00 1.90 C ATOM 0 H VAL A 34 -1.332 10.003 4.554 1.00 1.45 H new ATOM 0 HA VAL A 34 -3.585 8.348 4.080 1.00 1.51 H new ATOM 0 HB VAL A 34 -1.164 7.897 3.684 1.00 1.73 H new ATOM 0 HG11 VAL A 34 0.116 6.715 5.461 1.00 2.07 H new ATOM 0 HG12 VAL A 34 -0.199 8.422 5.854 1.00 2.07 H new ATOM 0 HG13 VAL A 34 -1.160 7.139 6.627 1.00 2.07 H new ATOM 0 HG21 VAL A 34 -1.374 5.429 4.130 1.00 1.90 H new ATOM 0 HG22 VAL A 34 -2.778 5.768 5.171 1.00 1.90 H new ATOM 0 HG23 VAL A 34 -2.855 6.124 3.429 1.00 1.90 H new ATOM 512 N GLU A 35 -3.277 9.145 7.177 1.00 1.68 N ATOM 513 CA GLU A 35 -4.062 9.177 8.423 1.00 1.76 C ATOM 514 C GLU A 35 -5.534 9.595 8.184 1.00 1.67 C ATOM 515 O GLU A 35 -6.415 9.256 8.976 1.00 1.79 O ATOM 516 CB GLU A 35 -3.356 10.138 9.404 1.00 1.91 C ATOM 517 CG GLU A 35 -4.088 10.276 10.744 1.00 2.05 C ATOM 518 CD GLU A 35 -3.270 11.040 11.785 1.00 2.24 C ATOM 519 OE1 GLU A 35 -3.368 12.289 11.863 1.00 2.69 O ATOM 520 OE2 GLU A 35 -2.577 10.389 12.604 1.00 3.15 O ATOM 0 H GLU A 35 -2.530 9.839 7.149 1.00 1.68 H new ATOM 0 HA GLU A 35 -4.108 8.173 8.844 1.00 1.76 H new ATOM 0 HB2 GLU A 35 -2.342 9.781 9.586 1.00 1.91 H new ATOM 0 HB3 GLU A 35 -3.270 11.121 8.941 1.00 1.91 H new ATOM 0 HG2 GLU A 35 -5.036 10.789 10.585 1.00 2.05 H new ATOM 0 HG3 GLU A 35 -4.323 9.284 11.129 1.00 2.05 H new ATOM 527 N LEU A 36 -5.810 10.319 7.091 1.00 1.48 N ATOM 528 CA LEU A 36 -7.080 10.995 6.807 1.00 1.39 C ATOM 529 C LEU A 36 -7.930 10.318 5.720 1.00 1.09 C ATOM 530 O LEU A 36 -9.090 10.697 5.548 1.00 1.07 O ATOM 531 CB LEU A 36 -6.790 12.458 6.405 1.00 1.46 C ATOM 532 CG LEU A 36 -5.825 13.242 7.316 1.00 1.76 C ATOM 533 CD1 LEU A 36 -5.642 14.659 6.774 1.00 1.89 C ATOM 534 CD2 LEU A 36 -6.331 13.349 8.752 1.00 2.05 C ATOM 0 H LEU A 36 -5.123 10.455 6.349 1.00 1.48 H new ATOM 0 HA LEU A 36 -7.671 10.941 7.721 1.00 1.39 H new ATOM 0 HB2 LEU A 36 -6.382 12.460 5.394 1.00 1.46 H new ATOM 0 HB3 LEU A 36 -7.737 12.996 6.368 1.00 1.46 H new ATOM 0 HG LEU A 36 -4.883 12.693 7.321 1.00 1.76 H new ATOM 0 HD11 LEU A 36 -4.959 15.210 7.420 1.00 1.89 H new ATOM 0 HD12 LEU A 36 -5.230 14.613 5.766 1.00 1.89 H new ATOM 0 HD13 LEU A 36 -6.607 15.166 6.748 1.00 1.89 H new ATOM 0 HD21 LEU A 36 -5.613 13.911 9.350 1.00 2.05 H new ATOM 0 HD22 LEU A 36 -7.292 13.863 8.762 1.00 2.05 H new ATOM 0 HD23 LEU A 36 -6.450 12.350 9.171 1.00 2.05 H new ATOM 546 N VAL A 37 -7.405 9.330 4.979 1.00 0.97 N ATOM 547 CA VAL A 37 -8.169 8.668 3.892 1.00 0.94 C ATOM 548 C VAL A 37 -9.440 7.982 4.405 1.00 1.69 C ATOM 549 O VAL A 37 -10.485 8.052 3.752 1.00 3.93 O ATOM 550 CB VAL A 37 -7.326 7.665 3.070 1.00 0.98 C ATOM 551 CG1 VAL A 37 -6.146 8.333 2.362 1.00 1.85 C ATOM 552 CG2 VAL A 37 -6.802 6.473 3.879 1.00 1.68 C ATOM 0 H VAL A 37 -6.460 8.968 5.106 1.00 0.97 H new ATOM 0 HA VAL A 37 -8.457 9.479 3.224 1.00 0.94 H new ATOM 0 HB VAL A 37 -8.030 7.284 2.331 1.00 0.98 H new ATOM 0 HG11 VAL A 37 -5.588 7.584 1.800 1.00 1.85 H new ATOM 0 HG12 VAL A 37 -6.517 9.098 1.679 1.00 1.85 H new ATOM 0 HG13 VAL A 37 -5.491 8.794 3.102 1.00 1.85 H new ATOM 0 HG21 VAL A 37 -6.222 5.819 3.228 1.00 1.68 H new ATOM 0 HG22 VAL A 37 -6.169 6.834 4.690 1.00 1.68 H new ATOM 0 HG23 VAL A 37 -7.643 5.918 4.295 1.00 1.68 H new ATOM 562 N GLN A 38 -9.357 7.385 5.601 1.00 0.77 N ATOM 563 CA GLN A 38 -10.345 6.556 6.283 1.00 0.82 C ATOM 564 C GLN A 38 -10.803 5.293 5.521 1.00 0.86 C ATOM 565 O GLN A 38 -10.761 5.215 4.291 1.00 0.86 O ATOM 566 CB GLN A 38 -11.431 7.453 6.882 1.00 1.03 C ATOM 567 CG GLN A 38 -10.783 8.402 7.914 1.00 2.24 C ATOM 568 CD GLN A 38 -11.733 9.495 8.303 1.00 2.79 C ATOM 569 OE1 GLN A 38 -11.537 10.680 8.052 1.00 4.07 O ATOM 570 NE2 GLN A 38 -12.826 9.139 8.902 1.00 2.53 N ATOM 0 H GLN A 38 -8.513 7.483 6.165 1.00 0.77 H new ATOM 0 HA GLN A 38 -9.860 6.059 7.123 1.00 0.82 H new ATOM 0 HB2 GLN A 38 -11.921 8.028 6.096 1.00 1.03 H new ATOM 0 HB3 GLN A 38 -12.200 6.846 7.359 1.00 1.03 H new ATOM 0 HG2 GLN A 38 -10.489 7.838 8.799 1.00 2.24 H new ATOM 0 HG3 GLN A 38 -9.875 8.835 7.496 1.00 2.24 H new ATOM 0 HE21 GLN A 38 -12.995 8.155 9.113 1.00 2.53 H new ATOM 0 HE22 GLN A 38 -13.517 9.842 9.162 1.00 2.53 H new ATOM 579 N ARG A 39 -11.183 4.258 6.283 1.00 0.90 N ATOM 580 CA ARG A 39 -11.427 2.862 5.843 1.00 0.93 C ATOM 581 C ARG A 39 -12.687 2.601 4.988 1.00 0.94 C ATOM 582 O ARG A 39 -13.378 1.592 5.160 1.00 1.65 O ATOM 583 CB ARG A 39 -11.282 1.934 7.065 1.00 1.06 C ATOM 584 CG ARG A 39 -12.395 2.108 8.109 1.00 1.20 C ATOM 585 CD ARG A 39 -11.906 1.758 9.518 1.00 1.55 C ATOM 586 NE ARG A 39 -12.916 2.148 10.513 1.00 1.88 N ATOM 587 CZ ARG A 39 -12.858 2.038 11.825 1.00 2.79 C ATOM 588 NH1 ARG A 39 -11.938 1.371 12.465 1.00 3.82 N ATOM 589 NH2 ARG A 39 -13.764 2.652 12.520 1.00 3.14 N ATOM 0 H ARG A 39 -11.340 4.371 7.284 1.00 0.90 H new ATOM 0 HA ARG A 39 -10.660 2.628 5.105 1.00 0.93 H new ATOM 0 HB2 ARG A 39 -11.274 0.899 6.725 1.00 1.06 H new ATOM 0 HB3 ARG A 39 -10.319 2.121 7.540 1.00 1.06 H new ATOM 0 HG2 ARG A 39 -12.752 3.138 8.093 1.00 1.20 H new ATOM 0 HG3 ARG A 39 -13.241 1.473 7.849 1.00 1.20 H new ATOM 0 HD2 ARG A 39 -11.709 0.688 9.588 1.00 1.55 H new ATOM 0 HD3 ARG A 39 -10.966 2.269 9.723 1.00 1.55 H new ATOM 0 HE ARG A 39 -13.773 2.557 10.139 1.00 1.88 H new ATOM 0 HH11 ARG A 39 -11.202 0.892 11.947 1.00 3.82 H new ATOM 0 HH12 ARG A 39 -11.955 1.328 13.484 1.00 3.82 H new ATOM 0 HH21 ARG A 39 -14.487 3.195 12.049 1.00 3.14 H new ATOM 0 HH22 ARG A 39 -13.754 2.592 13.538 1.00 3.14 H new ATOM 603 N GLY A 40 -12.969 3.507 4.056 1.00 1.00 N ATOM 604 CA GLY A 40 -14.090 3.441 3.111 1.00 0.95 C ATOM 605 C GLY A 40 -13.916 4.244 1.814 1.00 0.89 C ATOM 606 O GLY A 40 -14.902 4.535 1.136 1.00 1.01 O ATOM 0 H GLY A 40 -12.401 4.345 3.930 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -14.260 2.396 2.850 1.00 0.95 H new ATOM 0 HA3 GLY A 40 -14.989 3.793 3.617 1.00 0.95 H new ATOM 610 N ASP A 41 -12.687 4.633 1.456 1.00 0.82 N ATOM 611 CA ASP A 41 -12.355 5.223 0.148 1.00 0.78 C ATOM 612 C ASP A 41 -11.483 4.311 -0.729 1.00 0.56 C ATOM 613 O ASP A 41 -10.972 3.278 -0.284 1.00 0.57 O ATOM 614 CB ASP A 41 -11.723 6.612 0.338 1.00 1.04 C ATOM 615 CG ASP A 41 -12.784 7.702 0.217 1.00 1.85 C ATOM 616 OD1 ASP A 41 -13.312 7.921 -0.899 1.00 3.15 O ATOM 617 OD2 ASP A 41 -13.088 8.368 1.231 1.00 1.95 O ATOM 0 H ASP A 41 -11.880 4.547 2.074 1.00 0.82 H new ATOM 0 HA ASP A 41 -13.291 5.336 -0.400 1.00 0.78 H new ATOM 0 HB2 ASP A 41 -11.244 6.670 1.315 1.00 1.04 H new ATOM 0 HB3 ASP A 41 -10.945 6.769 -0.409 1.00 1.04 H new ATOM 622 N ILE A 42 -11.325 4.710 -1.995 1.00 0.57 N ATOM 623 CA ILE A 42 -10.537 4.011 -3.015 1.00 0.62 C ATOM 624 C ILE A 42 -9.455 4.961 -3.549 1.00 0.53 C ATOM 625 O ILE A 42 -9.737 6.118 -3.866 1.00 0.49 O ATOM 626 CB ILE A 42 -11.457 3.442 -4.122 1.00 0.86 C ATOM 627 CG1 ILE A 42 -12.508 2.488 -3.497 1.00 1.02 C ATOM 628 CG2 ILE A 42 -10.615 2.733 -5.196 1.00 1.08 C ATOM 629 CD1 ILE A 42 -13.360 1.682 -4.485 1.00 1.19 C ATOM 0 H ILE A 42 -11.759 5.562 -2.351 1.00 0.57 H new ATOM 0 HA ILE A 42 -10.031 3.149 -2.580 1.00 0.62 H new ATOM 0 HB ILE A 42 -11.992 4.259 -4.606 1.00 0.86 H new ATOM 0 HG12 ILE A 42 -11.989 1.789 -2.841 1.00 1.02 H new ATOM 0 HG13 ILE A 42 -13.176 3.078 -2.869 1.00 1.02 H new ATOM 0 HG21 ILE A 42 -11.272 2.336 -5.970 1.00 1.08 H new ATOM 0 HG22 ILE A 42 -9.919 3.444 -5.640 1.00 1.08 H new ATOM 0 HG23 ILE A 42 -10.057 1.915 -4.740 1.00 1.08 H new ATOM 0 HD11 ILE A 42 -14.058 1.052 -3.934 1.00 1.19 H new ATOM 0 HD12 ILE A 42 -13.917 2.365 -5.127 1.00 1.19 H new ATOM 0 HD13 ILE A 42 -12.712 1.056 -5.098 1.00 1.19 H new ATOM 641 N ILE A 43 -8.212 4.480 -3.620 1.00 0.56 N ATOM 642 CA ILE A 43 -7.000 5.269 -3.888 1.00 0.54 C ATOM 643 C ILE A 43 -6.376 4.879 -5.234 1.00 0.58 C ATOM 644 O ILE A 43 -6.149 3.690 -5.468 1.00 0.74 O ATOM 645 CB ILE A 43 -5.981 5.005 -2.747 1.00 0.62 C ATOM 646 CG1 ILE A 43 -6.546 5.186 -1.315 1.00 0.68 C ATOM 647 CG2 ILE A 43 -4.696 5.835 -2.913 1.00 0.67 C ATOM 648 CD1 ILE A 43 -7.157 6.557 -1.014 1.00 0.67 C ATOM 0 H ILE A 43 -8.010 3.489 -3.487 1.00 0.56 H new ATOM 0 HA ILE A 43 -7.263 6.326 -3.932 1.00 0.54 H new ATOM 0 HB ILE A 43 -5.743 3.946 -2.851 1.00 0.62 H new ATOM 0 HG12 ILE A 43 -7.306 4.424 -1.145 1.00 0.68 H new ATOM 0 HG13 ILE A 43 -5.744 5.001 -0.601 1.00 0.68 H new ATOM 0 HG21 ILE A 43 -4.013 5.617 -2.092 1.00 0.67 H new ATOM 0 HG22 ILE A 43 -4.218 5.581 -3.859 1.00 0.67 H new ATOM 0 HG23 ILE A 43 -4.945 6.896 -2.906 1.00 0.67 H new ATOM 0 HD11 ILE A 43 -7.521 6.575 0.013 1.00 0.67 H new ATOM 0 HD12 ILE A 43 -6.399 7.330 -1.144 1.00 0.67 H new ATOM 0 HD13 ILE A 43 -7.986 6.743 -1.696 1.00 0.67 H new ATOM 660 N LYS A 44 -6.032 5.850 -6.096 1.00 0.57 N ATOM 661 CA LYS A 44 -5.259 5.599 -7.330 1.00 0.63 C ATOM 662 C LYS A 44 -3.743 5.574 -7.072 1.00 0.68 C ATOM 663 O LYS A 44 -3.182 6.550 -6.562 1.00 0.83 O ATOM 664 CB LYS A 44 -5.654 6.574 -8.448 1.00 0.77 C ATOM 665 CG LYS A 44 -4.969 6.141 -9.758 1.00 1.81 C ATOM 666 CD LYS A 44 -5.394 6.964 -10.972 1.00 2.17 C ATOM 667 CE LYS A 44 -6.766 6.560 -11.521 1.00 1.68 C ATOM 668 NZ LYS A 44 -7.074 7.258 -12.789 1.00 1.91 N ATOM 0 H LYS A 44 -6.280 6.830 -5.960 1.00 0.57 H new ATOM 0 HA LYS A 44 -5.519 4.599 -7.678 1.00 0.63 H new ATOM 0 HB2 LYS A 44 -6.737 6.583 -8.575 1.00 0.77 H new ATOM 0 HB3 LYS A 44 -5.356 7.589 -8.185 1.00 0.77 H new ATOM 0 HG2 LYS A 44 -3.889 6.220 -9.636 1.00 1.81 H new ATOM 0 HG3 LYS A 44 -5.193 5.091 -9.945 1.00 1.81 H new ATOM 0 HD2 LYS A 44 -5.415 8.019 -10.699 1.00 2.17 H new ATOM 0 HD3 LYS A 44 -4.647 6.853 -11.758 1.00 2.17 H new ATOM 0 HE2 LYS A 44 -6.790 5.482 -11.683 1.00 1.68 H new ATOM 0 HE3 LYS A 44 -7.535 6.789 -10.783 1.00 1.68 H new ATOM 0 HZ1 LYS A 44 -8.010 6.960 -13.131 1.00 1.91 H new ATOM 0 HZ2 LYS A 44 -7.075 8.286 -12.628 1.00 1.91 H new ATOM 0 HZ3 LYS A 44 -6.354 7.020 -13.500 1.00 1.91 H new ATOM 682 N VAL A 45 -3.076 4.490 -7.479 1.00 0.65 N ATOM 683 CA VAL A 45 -1.606 4.337 -7.462 1.00 0.65 C ATOM 684 C VAL A 45 -1.017 4.541 -8.865 1.00 0.65 C ATOM 685 O VAL A 45 -1.536 3.993 -9.842 1.00 0.68 O ATOM 686 CB VAL A 45 -1.203 2.982 -6.835 1.00 0.59 C ATOM 687 CG1 VAL A 45 -1.318 1.786 -7.789 1.00 0.66 C ATOM 688 CG2 VAL A 45 0.229 3.008 -6.288 1.00 0.63 C ATOM 0 H VAL A 45 -3.553 3.665 -7.842 1.00 0.65 H new ATOM 0 HA VAL A 45 -1.180 5.116 -6.829 1.00 0.65 H new ATOM 0 HB VAL A 45 -1.923 2.845 -6.028 1.00 0.59 H new ATOM 0 HG11 VAL A 45 -1.017 0.876 -7.270 1.00 0.66 H new ATOM 0 HG12 VAL A 45 -2.350 1.687 -8.126 1.00 0.66 H new ATOM 0 HG13 VAL A 45 -0.669 1.944 -8.650 1.00 0.66 H new ATOM 0 HG21 VAL A 45 0.471 2.037 -5.857 1.00 0.63 H new ATOM 0 HG22 VAL A 45 0.924 3.229 -7.098 1.00 0.63 H new ATOM 0 HG23 VAL A 45 0.311 3.777 -5.520 1.00 0.63 H new ATOM 698 N VAL A 46 0.048 5.336 -8.992 1.00 0.67 N ATOM 699 CA VAL A 46 0.671 5.687 -10.290 1.00 0.68 C ATOM 700 C VAL A 46 1.833 4.746 -10.675 1.00 0.63 C ATOM 701 O VAL A 46 2.291 3.953 -9.842 1.00 0.56 O ATOM 702 CB VAL A 46 1.093 7.176 -10.326 1.00 0.79 C ATOM 703 CG1 VAL A 46 -0.103 8.097 -10.062 1.00 0.90 C ATOM 704 CG2 VAL A 46 2.222 7.529 -9.356 1.00 0.84 C ATOM 0 H VAL A 46 0.515 5.764 -8.192 1.00 0.67 H new ATOM 0 HA VAL A 46 -0.094 5.541 -11.053 1.00 0.68 H new ATOM 0 HB VAL A 46 1.476 7.334 -11.334 1.00 0.79 H new ATOM 0 HG11 VAL A 46 0.224 9.136 -10.094 1.00 0.90 H new ATOM 0 HG12 VAL A 46 -0.864 7.933 -10.825 1.00 0.90 H new ATOM 0 HG13 VAL A 46 -0.521 7.878 -9.079 1.00 0.90 H new ATOM 0 HG21 VAL A 46 2.458 8.590 -9.443 1.00 0.84 H new ATOM 0 HG22 VAL A 46 1.907 7.310 -8.336 1.00 0.84 H new ATOM 0 HG23 VAL A 46 3.107 6.939 -9.597 1.00 0.84 H new ATOM 714 N PRO A 47 2.341 4.786 -11.924 1.00 0.74 N ATOM 715 CA PRO A 47 3.585 4.105 -12.292 1.00 0.79 C ATOM 716 C PRO A 47 4.749 4.622 -11.436 1.00 0.77 C ATOM 717 O PRO A 47 4.877 5.833 -11.238 1.00 0.92 O ATOM 718 CB PRO A 47 3.795 4.394 -13.784 1.00 1.02 C ATOM 719 CG PRO A 47 2.386 4.713 -14.282 1.00 0.90 C ATOM 720 CD PRO A 47 1.782 5.448 -13.095 1.00 0.90 C ATOM 0 HA PRO A 47 3.535 3.031 -12.115 1.00 0.79 H new ATOM 0 HB2 PRO A 47 4.476 5.231 -13.940 1.00 1.02 H new ATOM 0 HB3 PRO A 47 4.221 3.536 -14.304 1.00 1.02 H new ATOM 0 HG2 PRO A 47 2.402 5.332 -15.179 1.00 0.90 H new ATOM 0 HG3 PRO A 47 1.827 3.810 -14.528 1.00 0.90 H new ATOM 0 HD2 PRO A 47 2.041 6.507 -13.112 1.00 0.90 H new ATOM 0 HD3 PRO A 47 0.694 5.385 -13.103 1.00 0.90 H new ATOM 728 N GLY A 48 5.555 3.719 -10.873 1.00 0.70 N ATOM 729 CA GLY A 48 6.607 4.033 -9.896 1.00 0.75 C ATOM 730 C GLY A 48 6.112 4.366 -8.477 1.00 0.75 C ATOM 731 O GLY A 48 6.933 4.522 -7.571 1.00 1.00 O ATOM 0 H GLY A 48 5.495 2.724 -11.087 1.00 0.70 H new ATOM 0 HA2 GLY A 48 7.288 3.184 -9.835 1.00 0.75 H new ATOM 0 HA3 GLY A 48 7.185 4.879 -10.269 1.00 0.75 H new ATOM 735 N GLY A 49 4.798 4.473 -8.254 1.00 0.61 N ATOM 736 CA GLY A 49 4.202 4.804 -6.956 1.00 0.65 C ATOM 737 C GLY A 49 4.218 3.650 -5.947 1.00 0.67 C ATOM 738 O GLY A 49 4.373 2.481 -6.311 1.00 0.99 O ATOM 0 H GLY A 49 4.104 4.329 -8.987 1.00 0.61 H new ATOM 0 HA2 GLY A 49 4.736 5.653 -6.529 1.00 0.65 H new ATOM 0 HA3 GLY A 49 3.171 5.122 -7.112 1.00 0.65 H new ATOM 742 N LYS A 50 4.028 3.971 -4.662 1.00 0.63 N ATOM 743 CA LYS A 50 3.918 2.990 -3.569 1.00 0.68 C ATOM 744 C LYS A 50 2.476 2.829 -3.099 1.00 0.75 C ATOM 745 O LYS A 50 1.713 3.798 -3.041 1.00 1.00 O ATOM 746 CB LYS A 50 4.820 3.366 -2.381 1.00 0.88 C ATOM 747 CG LYS A 50 6.286 3.535 -2.788 1.00 0.90 C ATOM 748 CD LYS A 50 7.191 3.729 -1.564 1.00 1.41 C ATOM 749 CE LYS A 50 8.581 4.140 -2.052 1.00 1.32 C ATOM 750 NZ LYS A 50 9.532 4.329 -0.938 1.00 2.21 N ATOM 0 H LYS A 50 3.944 4.937 -4.344 1.00 0.63 H new ATOM 0 HA LYS A 50 4.256 2.035 -3.971 1.00 0.68 H new ATOM 0 HB2 LYS A 50 4.461 4.294 -1.936 1.00 0.88 H new ATOM 0 HB3 LYS A 50 4.746 2.595 -1.614 1.00 0.88 H new ATOM 0 HG2 LYS A 50 6.613 2.659 -3.348 1.00 0.90 H new ATOM 0 HG3 LYS A 50 6.383 4.393 -3.453 1.00 0.90 H new ATOM 0 HD2 LYS A 50 6.779 4.493 -0.905 1.00 1.41 H new ATOM 0 HD3 LYS A 50 7.249 2.807 -0.985 1.00 1.41 H new ATOM 0 HE2 LYS A 50 8.966 3.378 -2.730 1.00 1.32 H new ATOM 0 HE3 LYS A 50 8.505 5.065 -2.623 1.00 1.32 H new ATOM 0 HZ1 LYS A 50 10.460 4.607 -1.317 1.00 2.21 H new ATOM 0 HZ2 LYS A 50 9.180 5.074 -0.304 1.00 2.21 H new ATOM 0 HZ3 LYS A 50 9.627 3.439 -0.408 1.00 2.21 H new ATOM 764 N PHE A 51 2.124 1.613 -2.689 1.00 0.79 N ATOM 765 CA PHE A 51 0.855 1.350 -2.008 1.00 0.82 C ATOM 766 C PHE A 51 0.903 1.940 -0.578 1.00 0.82 C ATOM 767 O PHE A 51 1.886 1.701 0.129 1.00 0.80 O ATOM 768 CB PHE A 51 0.556 -0.157 -2.015 1.00 0.83 C ATOM 769 CG PHE A 51 0.371 -0.733 -3.410 1.00 0.78 C ATOM 770 CD1 PHE A 51 -0.896 -0.739 -4.025 1.00 1.80 C ATOM 771 CD2 PHE A 51 1.476 -1.244 -4.112 1.00 1.57 C ATOM 772 CE1 PHE A 51 -1.046 -1.261 -5.325 1.00 1.78 C ATOM 773 CE2 PHE A 51 1.334 -1.734 -5.419 1.00 1.60 C ATOM 774 CZ PHE A 51 0.071 -1.746 -6.028 1.00 0.78 C ATOM 0 H PHE A 51 2.706 0.785 -2.818 1.00 0.79 H new ATOM 0 HA PHE A 51 0.037 1.839 -2.537 1.00 0.82 H new ATOM 0 HB2 PHE A 51 1.371 -0.683 -1.519 1.00 0.83 H new ATOM 0 HB3 PHE A 51 -0.346 -0.343 -1.431 1.00 0.83 H new ATOM 0 HD1 PHE A 51 -1.753 -0.343 -3.500 1.00 1.80 H new ATOM 0 HD2 PHE A 51 2.447 -1.260 -3.639 1.00 1.57 H new ATOM 0 HE1 PHE A 51 -2.023 -1.289 -5.784 1.00 1.78 H new ATOM 0 HE2 PHE A 51 2.196 -2.101 -5.955 1.00 1.60 H new ATOM 0 HZ PHE A 51 -0.043 -2.126 -7.032 1.00 0.78 H new ATOM 784 N PRO A 52 -0.108 2.713 -0.127 1.00 0.86 N ATOM 785 CA PRO A 52 -0.033 3.449 1.144 1.00 0.81 C ATOM 786 C PRO A 52 -0.648 2.723 2.356 1.00 0.74 C ATOM 787 O PRO A 52 -0.345 3.089 3.491 1.00 0.72 O ATOM 788 CB PRO A 52 -0.757 4.766 0.849 1.00 0.85 C ATOM 789 CG PRO A 52 -1.867 4.340 -0.108 1.00 0.90 C ATOM 790 CD PRO A 52 -1.203 3.241 -0.937 1.00 0.94 C ATOM 0 HA PRO A 52 1.006 3.575 1.448 1.00 0.81 H new ATOM 0 HB2 PRO A 52 -1.158 5.218 1.756 1.00 0.85 H new ATOM 0 HB3 PRO A 52 -0.091 5.500 0.394 1.00 0.85 H new ATOM 0 HG2 PRO A 52 -2.741 3.969 0.427 1.00 0.90 H new ATOM 0 HG3 PRO A 52 -2.203 5.169 -0.731 1.00 0.90 H new ATOM 0 HD2 PRO A 52 -1.918 2.455 -1.182 1.00 0.94 H new ATOM 0 HD3 PRO A 52 -0.830 3.639 -1.881 1.00 0.94 H new ATOM 798 N VAL A 53 -1.497 1.712 2.129 1.00 0.73 N ATOM 799 CA VAL A 53 -2.223 0.905 3.139 1.00 0.69 C ATOM 800 C VAL A 53 -2.332 -0.556 2.669 1.00 0.74 C ATOM 801 O VAL A 53 -1.927 -0.858 1.546 1.00 0.88 O ATOM 802 CB VAL A 53 -3.628 1.473 3.448 1.00 0.78 C ATOM 803 CG1 VAL A 53 -3.568 2.882 4.045 1.00 0.89 C ATOM 804 CG2 VAL A 53 -4.535 1.498 2.214 1.00 1.20 C ATOM 0 H VAL A 53 -1.714 1.411 1.179 1.00 0.73 H new ATOM 0 HA VAL A 53 -1.648 0.950 4.064 1.00 0.69 H new ATOM 0 HB VAL A 53 -4.053 0.792 4.185 1.00 0.78 H new ATOM 0 HG11 VAL A 53 -4.579 3.236 4.244 1.00 0.89 H new ATOM 0 HG12 VAL A 53 -3.002 2.859 4.976 1.00 0.89 H new ATOM 0 HG13 VAL A 53 -3.080 3.555 3.340 1.00 0.89 H new ATOM 0 HG21 VAL A 53 -5.509 1.905 2.486 1.00 1.20 H new ATOM 0 HG22 VAL A 53 -4.083 2.122 1.443 1.00 1.20 H new ATOM 0 HG23 VAL A 53 -4.660 0.484 1.833 1.00 1.20 H new ATOM 814 N ASP A 54 -2.880 -1.463 3.490 1.00 0.73 N ATOM 815 CA ASP A 54 -3.243 -2.820 3.041 1.00 0.80 C ATOM 816 C ASP A 54 -4.723 -2.914 2.624 1.00 0.77 C ATOM 817 O ASP A 54 -5.613 -2.358 3.273 1.00 0.87 O ATOM 818 CB ASP A 54 -2.769 -3.916 4.013 1.00 0.89 C ATOM 819 CG ASP A 54 -3.534 -4.075 5.333 1.00 0.91 C ATOM 820 OD1 ASP A 54 -4.747 -4.393 5.342 1.00 1.90 O ATOM 821 OD2 ASP A 54 -2.892 -4.081 6.403 1.00 1.98 O ATOM 0 H ASP A 54 -3.083 -1.283 4.473 1.00 0.73 H new ATOM 0 HA ASP A 54 -2.684 -3.022 2.127 1.00 0.80 H new ATOM 0 HB2 ASP A 54 -2.805 -4.870 3.487 1.00 0.89 H new ATOM 0 HB3 ASP A 54 -1.723 -3.723 4.252 1.00 0.89 H new ATOM 826 N GLY A 55 -4.992 -3.583 1.500 1.00 0.68 N ATOM 827 CA GLY A 55 -6.311 -3.574 0.861 1.00 0.62 C ATOM 828 C GLY A 55 -6.373 -4.338 -0.461 1.00 0.53 C ATOM 829 O GLY A 55 -5.411 -4.996 -0.864 1.00 0.54 O ATOM 0 H GLY A 55 -4.300 -4.147 1.006 1.00 0.68 H new ATOM 0 HA2 GLY A 55 -7.039 -4.003 1.550 1.00 0.62 H new ATOM 0 HA3 GLY A 55 -6.610 -2.541 0.685 1.00 0.62 H new ATOM 833 N ARG A 56 -7.525 -4.234 -1.136 1.00 0.55 N ATOM 834 CA ARG A 56 -7.824 -4.966 -2.379 1.00 0.53 C ATOM 835 C ARG A 56 -7.857 -4.066 -3.616 1.00 0.51 C ATOM 836 O ARG A 56 -8.463 -2.996 -3.603 1.00 0.58 O ATOM 837 CB ARG A 56 -9.103 -5.800 -2.193 1.00 0.62 C ATOM 838 CG ARG A 56 -9.108 -7.020 -3.130 1.00 0.67 C ATOM 839 CD ARG A 56 -10.241 -8.008 -2.846 1.00 0.81 C ATOM 840 NE ARG A 56 -10.146 -8.592 -1.496 1.00 2.24 N ATOM 841 CZ ARG A 56 -10.739 -9.687 -1.062 1.00 3.34 C ATOM 842 NH1 ARG A 56 -11.467 -10.445 -1.826 1.00 3.54 N ATOM 843 NH2 ARG A 56 -10.599 -10.021 0.182 1.00 4.93 N ATOM 0 H ARG A 56 -8.289 -3.630 -0.831 1.00 0.55 H new ATOM 0 HA ARG A 56 -7.001 -5.653 -2.577 1.00 0.53 H new ATOM 0 HB2 ARG A 56 -9.177 -6.132 -1.158 1.00 0.62 H new ATOM 0 HB3 ARG A 56 -9.977 -5.180 -2.392 1.00 0.62 H new ATOM 0 HG2 ARG A 56 -9.188 -6.675 -4.161 1.00 0.67 H new ATOM 0 HG3 ARG A 56 -8.154 -7.539 -3.041 1.00 0.67 H new ATOM 0 HD2 ARG A 56 -11.199 -7.500 -2.953 1.00 0.81 H new ATOM 0 HD3 ARG A 56 -10.219 -8.806 -3.588 1.00 0.81 H new ATOM 0 HE ARG A 56 -9.559 -8.096 -0.826 1.00 2.24 H new ATOM 0 HH11 ARG A 56 -11.600 -10.202 -2.808 1.00 3.54 H new ATOM 0 HH12 ARG A 56 -11.906 -11.283 -1.444 1.00 3.54 H new ATOM 0 HH21 ARG A 56 -10.038 -9.441 0.806 1.00 4.93 H new ATOM 0 HH22 ARG A 56 -11.050 -10.864 0.537 1.00 4.93 H new ATOM 857 N VAL A 57 -7.218 -4.519 -4.691 1.00 0.52 N ATOM 858 CA VAL A 57 -7.191 -3.905 -6.025 1.00 0.52 C ATOM 859 C VAL A 57 -8.359 -4.468 -6.828 1.00 0.49 C ATOM 860 O VAL A 57 -8.483 -5.687 -6.941 1.00 0.54 O ATOM 861 CB VAL A 57 -5.875 -4.232 -6.771 1.00 0.58 C ATOM 862 CG1 VAL A 57 -5.732 -3.352 -8.020 1.00 0.81 C ATOM 863 CG2 VAL A 57 -4.624 -4.055 -5.902 1.00 0.65 C ATOM 0 H VAL A 57 -6.669 -5.378 -4.657 1.00 0.52 H new ATOM 0 HA VAL A 57 -7.263 -2.823 -5.916 1.00 0.52 H new ATOM 0 HB VAL A 57 -5.944 -5.285 -7.046 1.00 0.58 H new ATOM 0 HG11 VAL A 57 -4.801 -3.596 -8.532 1.00 0.81 H new ATOM 0 HG12 VAL A 57 -6.573 -3.532 -8.690 1.00 0.81 H new ATOM 0 HG13 VAL A 57 -5.721 -2.302 -7.726 1.00 0.81 H new ATOM 0 HG21 VAL A 57 -3.737 -4.301 -6.486 1.00 0.65 H new ATOM 0 HG22 VAL A 57 -4.560 -3.021 -5.563 1.00 0.65 H new ATOM 0 HG23 VAL A 57 -4.684 -4.717 -5.038 1.00 0.65 H new ATOM 873 N ILE A 58 -9.206 -3.616 -7.406 1.00 0.50 N ATOM 874 CA ILE A 58 -10.327 -4.055 -8.271 1.00 0.52 C ATOM 875 C ILE A 58 -10.515 -3.133 -9.488 1.00 0.55 C ATOM 876 O ILE A 58 -11.619 -2.986 -10.014 1.00 0.61 O ATOM 877 CB ILE A 58 -11.637 -4.188 -7.452 1.00 0.66 C ATOM 878 CG1 ILE A 58 -11.884 -2.900 -6.643 1.00 0.75 C ATOM 879 CG2 ILE A 58 -11.625 -5.420 -6.530 1.00 0.70 C ATOM 880 CD1 ILE A 58 -13.337 -2.735 -6.191 1.00 1.01 C ATOM 0 H ILE A 58 -9.144 -2.604 -7.295 1.00 0.50 H new ATOM 0 HA ILE A 58 -10.071 -5.040 -8.661 1.00 0.52 H new ATOM 0 HB ILE A 58 -12.456 -4.331 -8.157 1.00 0.66 H new ATOM 0 HG12 ILE A 58 -11.236 -2.901 -5.766 1.00 0.75 H new ATOM 0 HG13 ILE A 58 -11.600 -2.039 -7.248 1.00 0.75 H new ATOM 0 HG21 ILE A 58 -12.563 -5.470 -5.977 1.00 0.70 H new ATOM 0 HG22 ILE A 58 -11.509 -6.322 -7.130 1.00 0.70 H new ATOM 0 HG23 ILE A 58 -10.795 -5.341 -5.828 1.00 0.70 H new ATOM 0 HD11 ILE A 58 -13.440 -1.808 -5.627 1.00 1.01 H new ATOM 0 HD12 ILE A 58 -13.988 -2.702 -7.064 1.00 1.01 H new ATOM 0 HD13 ILE A 58 -13.619 -3.577 -5.559 1.00 1.01 H new ATOM 892 N GLU A 59 -9.417 -2.582 -9.998 1.00 0.61 N ATOM 893 CA GLU A 59 -9.334 -1.862 -11.269 1.00 0.76 C ATOM 894 C GLU A 59 -7.856 -1.706 -11.647 1.00 0.88 C ATOM 895 O GLU A 59 -7.058 -1.237 -10.830 1.00 0.97 O ATOM 896 CB GLU A 59 -10.004 -0.472 -11.180 1.00 0.88 C ATOM 897 CG GLU A 59 -11.089 -0.311 -12.255 1.00 1.43 C ATOM 898 CD GLU A 59 -11.528 1.147 -12.426 1.00 2.48 C ATOM 899 OE1 GLU A 59 -10.870 1.895 -13.192 1.00 3.10 O ATOM 900 OE2 GLU A 59 -12.552 1.551 -11.820 1.00 3.88 O ATOM 0 H GLU A 59 -8.519 -2.626 -9.516 1.00 0.61 H new ATOM 0 HA GLU A 59 -9.865 -2.433 -12.031 1.00 0.76 H new ATOM 0 HB2 GLU A 59 -10.444 -0.340 -10.192 1.00 0.88 H new ATOM 0 HB3 GLU A 59 -9.251 0.307 -11.300 1.00 0.88 H new ATOM 0 HG2 GLU A 59 -10.714 -0.689 -13.206 1.00 1.43 H new ATOM 0 HG3 GLU A 59 -11.953 -0.919 -11.989 1.00 1.43 H new ATOM 907 N GLY A 60 -7.504 -2.093 -12.872 1.00 0.89 N ATOM 908 CA GLY A 60 -6.146 -2.037 -13.404 1.00 0.91 C ATOM 909 C GLY A 60 -5.270 -3.247 -13.054 1.00 0.97 C ATOM 910 O GLY A 60 -5.589 -4.055 -12.178 1.00 1.30 O ATOM 0 H GLY A 60 -8.178 -2.465 -13.541 1.00 0.89 H new ATOM 0 HA2 GLY A 60 -6.199 -1.946 -14.489 1.00 0.91 H new ATOM 0 HA3 GLY A 60 -5.661 -1.135 -13.031 1.00 0.91 H new ATOM 914 N HIS A 61 -4.143 -3.365 -13.755 1.00 0.74 N ATOM 915 CA HIS A 61 -3.153 -4.434 -13.558 1.00 0.87 C ATOM 916 C HIS A 61 -1.704 -3.925 -13.696 1.00 0.73 C ATOM 917 O HIS A 61 -1.359 -3.232 -14.656 1.00 1.01 O ATOM 918 CB HIS A 61 -3.466 -5.620 -14.489 1.00 1.15 C ATOM 919 CG HIS A 61 -3.338 -5.311 -15.957 1.00 1.18 C ATOM 920 ND1 HIS A 61 -4.315 -4.779 -16.767 1.00 1.82 N ATOM 921 CD2 HIS A 61 -2.219 -5.476 -16.727 1.00 1.85 C ATOM 922 CE1 HIS A 61 -3.792 -4.600 -17.990 1.00 1.84 C ATOM 923 NE2 HIS A 61 -2.510 -5.011 -18.016 1.00 1.93 N ATOM 0 H HIS A 61 -3.883 -2.709 -14.492 1.00 0.74 H new ATOM 0 HA HIS A 61 -3.231 -4.790 -12.531 1.00 0.87 H new ATOM 0 HB2 HIS A 61 -2.796 -6.444 -14.244 1.00 1.15 H new ATOM 0 HB3 HIS A 61 -4.481 -5.964 -14.290 1.00 1.15 H new ATOM 0 HD2 HIS A 61 -1.278 -5.891 -16.399 1.00 1.85 H new ATOM 0 HE1 HIS A 61 -4.324 -4.185 -18.833 1.00 1.84 H new ATOM 0 HE2 HIS A 61 -1.877 -4.988 -18.815 1.00 1.93 H new ATOM 931 N SER A 62 -0.857 -4.254 -12.715 1.00 0.58 N ATOM 932 CA SER A 62 0.590 -3.985 -12.738 1.00 0.49 C ATOM 933 C SER A 62 1.405 -5.098 -12.087 1.00 0.49 C ATOM 934 O SER A 62 0.879 -5.902 -11.319 1.00 0.67 O ATOM 935 CB SER A 62 0.936 -2.647 -12.067 1.00 0.69 C ATOM 936 OG SER A 62 1.467 -1.752 -13.024 1.00 1.37 O ATOM 0 H SER A 62 -1.162 -4.725 -11.863 1.00 0.58 H new ATOM 0 HA SER A 62 0.858 -3.935 -13.793 1.00 0.49 H new ATOM 0 HB2 SER A 62 0.044 -2.218 -11.610 1.00 0.69 H new ATOM 0 HB3 SER A 62 1.658 -2.808 -11.266 1.00 0.69 H new ATOM 0 HG SER A 62 1.048 -0.873 -12.917 1.00 1.37 H new ATOM 942 N MET A 63 2.707 -5.112 -12.360 1.00 0.60 N ATOM 943 CA MET A 63 3.672 -5.937 -11.640 1.00 0.59 C ATOM 944 C MET A 63 4.232 -5.140 -10.444 1.00 0.57 C ATOM 945 O MET A 63 4.401 -3.919 -10.530 1.00 0.68 O ATOM 946 CB MET A 63 4.718 -6.451 -12.634 1.00 0.65 C ATOM 947 CG MET A 63 5.716 -7.404 -11.979 1.00 0.70 C ATOM 948 SD MET A 63 6.321 -8.733 -13.055 1.00 0.89 S ATOM 949 CE MET A 63 5.047 -9.983 -12.744 1.00 0.93 C ATOM 0 H MET A 63 3.126 -4.544 -13.096 1.00 0.60 H new ATOM 0 HA MET A 63 3.214 -6.825 -11.204 1.00 0.59 H new ATOM 0 HB2 MET A 63 4.216 -6.962 -13.456 1.00 0.65 H new ATOM 0 HB3 MET A 63 5.254 -5.605 -13.064 1.00 0.65 H new ATOM 0 HG2 MET A 63 6.570 -6.826 -11.625 1.00 0.70 H new ATOM 0 HG3 MET A 63 5.248 -7.851 -11.102 1.00 0.70 H new ATOM 0 HE1 MET A 63 5.263 -10.876 -13.330 1.00 0.93 H new ATOM 0 HE2 MET A 63 5.038 -10.238 -11.684 1.00 0.93 H new ATOM 0 HE3 MET A 63 4.072 -9.588 -13.030 1.00 0.93 H new ATOM 959 N VAL A 64 4.449 -5.822 -9.315 1.00 0.58 N ATOM 960 CA VAL A 64 4.747 -5.216 -8.006 1.00 0.56 C ATOM 961 C VAL A 64 5.907 -5.908 -7.284 1.00 0.57 C ATOM 962 O VAL A 64 6.031 -7.133 -7.304 1.00 0.64 O ATOM 963 CB VAL A 64 3.469 -5.210 -7.133 1.00 0.57 C ATOM 964 CG1 VAL A 64 3.685 -4.714 -5.695 1.00 0.58 C ATOM 965 CG2 VAL A 64 2.393 -4.317 -7.770 1.00 0.59 C ATOM 0 H VAL A 64 4.422 -6.841 -9.282 1.00 0.58 H new ATOM 0 HA VAL A 64 5.070 -4.190 -8.181 1.00 0.56 H new ATOM 0 HB VAL A 64 3.160 -6.254 -7.084 1.00 0.57 H new ATOM 0 HG11 VAL A 64 2.739 -4.743 -5.154 1.00 0.58 H new ATOM 0 HG12 VAL A 64 4.409 -5.356 -5.194 1.00 0.58 H new ATOM 0 HG13 VAL A 64 4.060 -3.691 -5.716 1.00 0.58 H new ATOM 0 HG21 VAL A 64 1.500 -4.322 -7.146 1.00 0.59 H new ATOM 0 HG22 VAL A 64 2.770 -3.298 -7.856 1.00 0.59 H new ATOM 0 HG23 VAL A 64 2.145 -4.697 -8.761 1.00 0.59 H new ATOM 975 N ASP A 65 6.733 -5.115 -6.594 1.00 0.53 N ATOM 976 CA ASP A 65 7.817 -5.601 -5.733 1.00 0.58 C ATOM 977 C ASP A 65 7.346 -5.848 -4.287 1.00 0.76 C ATOM 978 O ASP A 65 7.011 -4.912 -3.555 1.00 0.96 O ATOM 979 CB ASP A 65 9.000 -4.621 -5.768 1.00 0.70 C ATOM 980 CG ASP A 65 10.162 -5.130 -4.907 1.00 0.97 C ATOM 981 OD1 ASP A 65 10.934 -5.989 -5.390 1.00 1.60 O ATOM 982 OD2 ASP A 65 10.283 -4.710 -3.732 1.00 2.15 O ATOM 0 H ASP A 65 6.666 -4.098 -6.619 1.00 0.53 H new ATOM 0 HA ASP A 65 8.144 -6.564 -6.125 1.00 0.58 H new ATOM 0 HB2 ASP A 65 9.336 -4.488 -6.796 1.00 0.70 H new ATOM 0 HB3 ASP A 65 8.678 -3.644 -5.409 1.00 0.70 H new ATOM 987 N GLU A 66 7.400 -7.106 -3.842 1.00 0.81 N ATOM 988 CA GLU A 66 7.210 -7.528 -2.442 1.00 0.95 C ATOM 989 C GLU A 66 8.531 -8.018 -1.801 1.00 0.90 C ATOM 990 O GLU A 66 8.523 -8.572 -0.697 1.00 1.01 O ATOM 991 CB GLU A 66 6.061 -8.558 -2.319 1.00 1.20 C ATOM 992 CG GLU A 66 4.720 -8.013 -2.847 1.00 0.79 C ATOM 993 CD GLU A 66 3.490 -8.858 -2.464 1.00 0.89 C ATOM 994 OE1 GLU A 66 3.598 -10.087 -2.237 1.00 1.64 O ATOM 995 OE2 GLU A 66 2.371 -8.287 -2.406 1.00 1.75 O ATOM 0 H GLU A 66 7.584 -7.892 -4.466 1.00 0.81 H new ATOM 0 HA GLU A 66 6.908 -6.652 -1.868 1.00 0.95 H new ATOM 0 HB2 GLU A 66 6.325 -9.460 -2.871 1.00 1.20 H new ATOM 0 HB3 GLU A 66 5.946 -8.846 -1.274 1.00 1.20 H new ATOM 0 HG2 GLU A 66 4.580 -7.000 -2.470 1.00 0.79 H new ATOM 0 HG3 GLU A 66 4.773 -7.944 -3.934 1.00 0.79 H new ATOM 1002 N SER A 67 9.677 -7.804 -2.467 1.00 0.89 N ATOM 1003 CA SER A 67 10.990 -8.335 -2.075 1.00 0.99 C ATOM 1004 C SER A 67 11.441 -7.912 -0.675 1.00 0.99 C ATOM 1005 O SER A 67 11.992 -8.740 0.046 1.00 0.99 O ATOM 1006 CB SER A 67 12.057 -7.934 -3.107 1.00 1.18 C ATOM 1007 OG SER A 67 13.298 -8.532 -2.780 1.00 2.47 O ATOM 0 H SER A 67 9.715 -7.241 -3.317 1.00 0.89 H new ATOM 0 HA SER A 67 10.875 -9.419 -2.047 1.00 0.99 H new ATOM 0 HB2 SER A 67 11.745 -8.246 -4.104 1.00 1.18 H new ATOM 0 HB3 SER A 67 12.162 -6.849 -3.131 1.00 1.18 H new ATOM 0 HG SER A 67 13.971 -8.272 -3.443 1.00 2.47 H new ATOM 1013 N LEU A 68 11.208 -6.673 -0.236 1.00 1.15 N ATOM 1014 CA LEU A 68 11.592 -6.259 1.124 1.00 1.28 C ATOM 1015 C LEU A 68 10.535 -6.672 2.160 1.00 1.26 C ATOM 1016 O LEU A 68 10.875 -7.030 3.287 1.00 1.40 O ATOM 1017 CB LEU A 68 11.892 -4.742 1.099 1.00 1.40 C ATOM 1018 CG LEU A 68 12.547 -4.086 2.337 1.00 1.53 C ATOM 1019 CD1 LEU A 68 11.580 -3.832 3.494 1.00 1.62 C ATOM 1020 CD2 LEU A 68 13.750 -4.859 2.874 1.00 1.45 C ATOM 0 H LEU A 68 10.761 -5.944 -0.791 1.00 1.15 H new ATOM 0 HA LEU A 68 12.497 -6.776 1.442 1.00 1.28 H new ATOM 0 HB2 LEU A 68 12.539 -4.549 0.243 1.00 1.40 H new ATOM 0 HB3 LEU A 68 10.952 -4.224 0.911 1.00 1.40 H new ATOM 0 HG LEU A 68 12.885 -3.125 1.950 1.00 1.53 H new ATOM 0 HD11 LEU A 68 12.117 -3.371 4.323 1.00 1.62 H new ATOM 0 HD12 LEU A 68 10.783 -3.166 3.163 1.00 1.62 H new ATOM 0 HD13 LEU A 68 11.149 -4.778 3.823 1.00 1.62 H new ATOM 0 HD21 LEU A 68 14.158 -4.340 3.742 1.00 1.45 H new ATOM 0 HD22 LEU A 68 13.438 -5.862 3.165 1.00 1.45 H new ATOM 0 HD23 LEU A 68 14.514 -4.927 2.100 1.00 1.45 H new ATOM 1032 N ILE A 69 9.256 -6.713 1.764 1.00 1.16 N ATOM 1033 CA ILE A 69 8.140 -7.125 2.628 1.00 1.20 C ATOM 1034 C ILE A 69 8.312 -8.584 3.082 1.00 1.43 C ATOM 1035 O ILE A 69 8.357 -8.853 4.284 1.00 1.58 O ATOM 1036 CB ILE A 69 6.781 -6.937 1.910 1.00 1.34 C ATOM 1037 CG1 ILE A 69 6.557 -5.525 1.317 1.00 1.38 C ATOM 1038 CG2 ILE A 69 5.623 -7.323 2.846 1.00 1.52 C ATOM 1039 CD1 ILE A 69 6.404 -4.386 2.333 1.00 1.38 C ATOM 0 H ILE A 69 8.962 -6.457 0.821 1.00 1.16 H new ATOM 0 HA ILE A 69 8.148 -6.486 3.511 1.00 1.20 H new ATOM 0 HB ILE A 69 6.806 -7.609 1.052 1.00 1.34 H new ATOM 0 HG12 ILE A 69 7.396 -5.291 0.662 1.00 1.38 H new ATOM 0 HG13 ILE A 69 5.663 -5.552 0.694 1.00 1.38 H new ATOM 0 HG21 ILE A 69 4.674 -7.185 2.327 1.00 1.52 H new ATOM 0 HG22 ILE A 69 5.727 -8.367 3.142 1.00 1.52 H new ATOM 0 HG23 ILE A 69 5.646 -6.690 3.733 1.00 1.52 H new ATOM 0 HD11 ILE A 69 6.252 -3.445 1.804 1.00 1.38 H new ATOM 0 HD12 ILE A 69 5.546 -4.584 2.975 1.00 1.38 H new ATOM 0 HD13 ILE A 69 7.305 -4.319 2.942 1.00 1.38 H new ATOM 1051 N THR A 70 8.414 -9.522 2.133 1.00 1.60 N ATOM 1052 CA THR A 70 8.363 -10.976 2.399 1.00 1.87 C ATOM 1053 C THR A 70 9.629 -11.735 1.983 1.00 1.88 C ATOM 1054 O THR A 70 9.745 -12.936 2.239 1.00 2.09 O ATOM 1055 CB THR A 70 7.148 -11.615 1.708 1.00 1.92 C ATOM 1056 OG1 THR A 70 7.382 -11.655 0.325 1.00 2.11 O ATOM 1057 CG2 THR A 70 5.826 -10.878 1.889 1.00 1.88 C ATOM 0 H THR A 70 8.536 -9.297 1.146 1.00 1.60 H new ATOM 0 HA THR A 70 8.279 -11.063 3.482 1.00 1.87 H new ATOM 0 HB THR A 70 7.047 -12.594 2.177 1.00 1.92 H new ATOM 0 HG1 THR A 70 6.558 -11.912 -0.139 1.00 2.11 H new ATOM 0 HG21 THR A 70 5.036 -11.413 1.362 1.00 1.88 H new ATOM 0 HG22 THR A 70 5.582 -10.824 2.950 1.00 1.88 H new ATOM 0 HG23 THR A 70 5.913 -9.869 1.485 1.00 1.88 H new ATOM 1065 N GLY A 71 10.590 -11.062 1.342 1.00 1.73 N ATOM 1066 CA GLY A 71 11.847 -11.652 0.871 1.00 1.79 C ATOM 1067 C GLY A 71 11.776 -12.340 -0.504 1.00 1.59 C ATOM 1068 O GLY A 71 12.706 -13.065 -0.845 1.00 1.73 O ATOM 0 H GLY A 71 10.513 -10.067 1.131 1.00 1.73 H new ATOM 0 HA2 GLY A 71 12.603 -10.868 0.828 1.00 1.79 H new ATOM 0 HA3 GLY A 71 12.185 -12.382 1.607 1.00 1.79 H new ATOM 1072 N GLU A 72 10.694 -12.168 -1.283 1.00 1.34 N ATOM 1073 CA GLU A 72 10.492 -12.862 -2.577 1.00 1.17 C ATOM 1074 C GLU A 72 11.694 -12.772 -3.535 1.00 1.44 C ATOM 1075 O GLU A 72 12.131 -13.796 -4.069 1.00 2.80 O ATOM 1076 CB GLU A 72 9.274 -12.288 -3.329 1.00 1.18 C ATOM 1077 CG GLU A 72 7.926 -12.837 -2.859 1.00 1.12 C ATOM 1078 CD GLU A 72 7.736 -14.334 -3.123 1.00 1.27 C ATOM 1079 OE1 GLU A 72 8.180 -14.853 -4.176 1.00 2.41 O ATOM 1080 OE2 GLU A 72 7.113 -15.001 -2.264 1.00 1.54 O ATOM 0 H GLU A 72 9.928 -11.541 -1.036 1.00 1.34 H new ATOM 0 HA GLU A 72 10.344 -13.906 -2.302 1.00 1.17 H new ATOM 0 HB2 GLU A 72 9.270 -11.204 -3.216 1.00 1.18 H new ATOM 0 HB3 GLU A 72 9.387 -12.497 -4.393 1.00 1.18 H new ATOM 0 HG2 GLU A 72 7.823 -12.651 -1.790 1.00 1.12 H new ATOM 0 HG3 GLU A 72 7.128 -12.287 -3.357 1.00 1.12 H new ATOM 1087 N ALA A 73 12.163 -11.547 -3.808 1.00 1.18 N ATOM 1088 CA ALA A 73 13.206 -11.218 -4.791 1.00 1.23 C ATOM 1089 C ALA A 73 12.876 -11.626 -6.246 1.00 1.07 C ATOM 1090 O ALA A 73 13.730 -11.576 -7.135 1.00 1.36 O ATOM 1091 CB ALA A 73 14.583 -11.645 -4.267 1.00 1.57 C ATOM 0 H ALA A 73 11.810 -10.720 -3.328 1.00 1.18 H new ATOM 0 HA ALA A 73 13.241 -10.133 -4.889 1.00 1.23 H new ATOM 0 HB1 ALA A 73 15.346 -11.396 -5.004 1.00 1.57 H new ATOM 0 HB2 ALA A 73 14.795 -11.123 -3.334 1.00 1.57 H new ATOM 0 HB3 ALA A 73 14.587 -12.720 -4.090 1.00 1.57 H new ATOM 1097 N MET A 74 11.606 -11.952 -6.494 1.00 0.94 N ATOM 1098 CA MET A 74 10.964 -12.173 -7.787 1.00 1.02 C ATOM 1099 C MET A 74 9.639 -11.383 -7.770 1.00 0.92 C ATOM 1100 O MET A 74 8.904 -11.483 -6.778 1.00 0.90 O ATOM 1101 CB MET A 74 10.729 -13.680 -7.979 1.00 1.19 C ATOM 1102 CG MET A 74 9.896 -14.005 -9.223 1.00 1.98 C ATOM 1103 SD MET A 74 9.687 -15.771 -9.592 1.00 2.59 S ATOM 1104 CE MET A 74 8.824 -16.358 -8.108 1.00 3.79 C ATOM 0 H MET A 74 10.945 -12.079 -5.727 1.00 0.94 H new ATOM 0 HA MET A 74 11.581 -11.831 -8.618 1.00 1.02 H new ATOM 0 HB2 MET A 74 11.692 -14.185 -8.052 1.00 1.19 H new ATOM 0 HB3 MET A 74 10.226 -14.078 -7.098 1.00 1.19 H new ATOM 0 HG2 MET A 74 8.909 -13.558 -9.103 1.00 1.98 H new ATOM 0 HG3 MET A 74 10.361 -13.525 -10.084 1.00 1.98 H new ATOM 0 HE1 MET A 74 8.506 -17.390 -8.256 1.00 3.79 H new ATOM 0 HE2 MET A 74 9.496 -16.305 -7.251 1.00 3.79 H new ATOM 0 HE3 MET A 74 7.951 -15.732 -7.923 1.00 3.79 H new ATOM 1114 N PRO A 75 9.322 -10.591 -8.807 1.00 1.01 N ATOM 1115 CA PRO A 75 8.181 -9.678 -8.796 1.00 0.92 C ATOM 1116 C PRO A 75 6.831 -10.403 -8.938 1.00 0.77 C ATOM 1117 O PRO A 75 6.740 -11.481 -9.535 1.00 0.82 O ATOM 1118 CB PRO A 75 8.455 -8.707 -9.941 1.00 1.13 C ATOM 1119 CG PRO A 75 9.201 -9.577 -10.952 1.00 1.92 C ATOM 1120 CD PRO A 75 10.079 -10.431 -10.039 1.00 1.42 C ATOM 0 HA PRO A 75 8.088 -9.162 -7.841 1.00 0.92 H new ATOM 0 HB2 PRO A 75 7.533 -8.303 -10.358 1.00 1.13 H new ATOM 0 HB3 PRO A 75 9.057 -7.858 -9.616 1.00 1.13 H new ATOM 0 HG2 PRO A 75 8.521 -10.184 -11.550 1.00 1.92 H new ATOM 0 HG3 PRO A 75 9.792 -8.981 -11.647 1.00 1.92 H new ATOM 0 HD2 PRO A 75 10.295 -11.397 -10.495 1.00 1.42 H new ATOM 0 HD3 PRO A 75 11.037 -9.946 -9.850 1.00 1.42 H new ATOM 1128 N VAL A 76 5.779 -9.794 -8.388 1.00 0.67 N ATOM 1129 CA VAL A 76 4.430 -10.369 -8.243 1.00 0.60 C ATOM 1130 C VAL A 76 3.445 -9.678 -9.188 1.00 0.58 C ATOM 1131 O VAL A 76 3.391 -8.449 -9.240 1.00 0.64 O ATOM 1132 CB VAL A 76 3.949 -10.260 -6.778 1.00 0.61 C ATOM 1133 CG1 VAL A 76 2.584 -10.929 -6.565 1.00 0.72 C ATOM 1134 CG2 VAL A 76 4.935 -10.909 -5.795 1.00 0.67 C ATOM 0 H VAL A 76 5.841 -8.847 -8.014 1.00 0.67 H new ATOM 0 HA VAL A 76 4.476 -11.425 -8.511 1.00 0.60 H new ATOM 0 HB VAL A 76 3.876 -9.190 -6.583 1.00 0.61 H new ATOM 0 HG11 VAL A 76 2.288 -10.827 -5.521 1.00 0.72 H new ATOM 0 HG12 VAL A 76 1.841 -10.450 -7.202 1.00 0.72 H new ATOM 0 HG13 VAL A 76 2.653 -11.986 -6.821 1.00 0.72 H new ATOM 0 HG21 VAL A 76 4.555 -10.808 -4.778 1.00 0.67 H new ATOM 0 HG22 VAL A 76 5.047 -11.966 -6.037 1.00 0.67 H new ATOM 0 HG23 VAL A 76 5.903 -10.414 -5.871 1.00 0.67 H new ATOM 1144 N ALA A 77 2.628 -10.444 -9.912 1.00 0.61 N ATOM 1145 CA ALA A 77 1.571 -9.891 -10.763 1.00 0.60 C ATOM 1146 C ALA A 77 0.338 -9.491 -9.931 1.00 0.52 C ATOM 1147 O ALA A 77 -0.152 -10.289 -9.129 1.00 0.59 O ATOM 1148 CB ALA A 77 1.214 -10.912 -11.848 1.00 0.78 C ATOM 0 H ALA A 77 2.679 -11.463 -9.926 1.00 0.61 H new ATOM 0 HA ALA A 77 1.933 -8.981 -11.242 1.00 0.60 H new ATOM 0 HB1 ALA A 77 0.428 -10.506 -12.485 1.00 0.78 H new ATOM 0 HB2 ALA A 77 2.096 -11.125 -12.452 1.00 0.78 H new ATOM 0 HB3 ALA A 77 0.864 -11.832 -11.381 1.00 0.78 H new ATOM 1154 N LYS A 78 -0.197 -8.283 -10.152 1.00 0.52 N ATOM 1155 CA LYS A 78 -1.454 -7.785 -9.562 1.00 0.57 C ATOM 1156 C LYS A 78 -2.452 -7.429 -10.670 1.00 0.67 C ATOM 1157 O LYS A 78 -2.069 -6.954 -11.742 1.00 0.79 O ATOM 1158 CB LYS A 78 -1.194 -6.575 -8.643 1.00 0.64 C ATOM 1159 CG LYS A 78 -0.137 -6.785 -7.543 1.00 0.61 C ATOM 1160 CD LYS A 78 -0.530 -7.771 -6.432 1.00 0.56 C ATOM 1161 CE LYS A 78 0.590 -7.832 -5.382 1.00 0.62 C ATOM 1162 NZ LYS A 78 0.215 -8.664 -4.215 1.00 0.70 N ATOM 0 H LYS A 78 0.246 -7.600 -10.767 1.00 0.52 H new ATOM 0 HA LYS A 78 -1.885 -8.577 -8.949 1.00 0.57 H new ATOM 0 HB2 LYS A 78 -0.885 -5.732 -9.262 1.00 0.64 H new ATOM 0 HB3 LYS A 78 -2.134 -6.294 -8.168 1.00 0.64 H new ATOM 0 HG2 LYS A 78 0.783 -7.137 -8.009 1.00 0.61 H new ATOM 0 HG3 LYS A 78 0.085 -5.820 -7.087 1.00 0.61 H new ATOM 0 HD2 LYS A 78 -1.464 -7.457 -5.966 1.00 0.56 H new ATOM 0 HD3 LYS A 78 -0.702 -8.761 -6.854 1.00 0.56 H new ATOM 0 HE2 LYS A 78 1.493 -8.236 -5.839 1.00 0.62 H new ATOM 0 HE3 LYS A 78 0.827 -6.822 -5.046 1.00 0.62 H new ATOM 0 HZ1 LYS A 78 0.978 -8.636 -3.509 1.00 0.70 H new ATOM 0 HZ2 LYS A 78 -0.661 -8.295 -3.793 1.00 0.70 H new ATOM 0 HZ3 LYS A 78 0.064 -9.646 -4.523 1.00 0.70 H new ATOM 1176 N LYS A 79 -3.733 -7.675 -10.395 1.00 0.65 N ATOM 1177 CA LYS A 79 -4.882 -7.632 -11.325 1.00 0.68 C ATOM 1178 C LYS A 79 -6.179 -7.291 -10.566 1.00 0.60 C ATOM 1179 O LYS A 79 -6.161 -7.357 -9.337 1.00 0.55 O ATOM 1180 CB LYS A 79 -4.930 -8.971 -12.104 1.00 0.85 C ATOM 1181 CG LYS A 79 -4.855 -10.277 -11.295 1.00 1.89 C ATOM 1182 CD LYS A 79 -6.145 -10.776 -10.626 1.00 2.86 C ATOM 1183 CE LYS A 79 -7.204 -11.181 -11.661 1.00 2.82 C ATOM 1184 NZ LYS A 79 -8.422 -11.720 -11.016 1.00 4.45 N ATOM 0 H LYS A 79 -4.025 -7.929 -9.451 1.00 0.65 H new ATOM 0 HA LYS A 79 -4.768 -6.835 -12.059 1.00 0.68 H new ATOM 0 HB2 LYS A 79 -5.854 -8.988 -12.682 1.00 0.85 H new ATOM 0 HB3 LYS A 79 -4.107 -8.972 -12.818 1.00 0.85 H new ATOM 0 HG2 LYS A 79 -4.496 -11.063 -11.959 1.00 1.89 H new ATOM 0 HG3 LYS A 79 -4.102 -10.148 -10.518 1.00 1.89 H new ATOM 0 HD2 LYS A 79 -5.917 -11.629 -9.987 1.00 2.86 H new ATOM 0 HD3 LYS A 79 -6.547 -9.994 -9.982 1.00 2.86 H new ATOM 0 HE2 LYS A 79 -7.467 -10.316 -12.270 1.00 2.82 H new ATOM 0 HE3 LYS A 79 -6.787 -11.930 -12.334 1.00 2.82 H new ATOM 0 HZ1 LYS A 79 -9.018 -12.182 -11.732 1.00 4.45 H new ATOM 0 HZ2 LYS A 79 -8.152 -12.414 -10.290 1.00 4.45 H new ATOM 0 HZ3 LYS A 79 -8.953 -10.943 -10.573 1.00 4.45 H new ATOM 1198 N PRO A 80 -7.307 -6.947 -11.215 1.00 0.66 N ATOM 1199 CA PRO A 80 -8.568 -6.736 -10.499 1.00 0.66 C ATOM 1200 C PRO A 80 -8.991 -7.999 -9.723 1.00 0.66 C ATOM 1201 O PRO A 80 -8.944 -9.110 -10.249 1.00 0.79 O ATOM 1202 CB PRO A 80 -9.580 -6.304 -11.566 1.00 0.80 C ATOM 1203 CG PRO A 80 -8.999 -6.841 -12.872 1.00 0.85 C ATOM 1204 CD PRO A 80 -7.496 -6.742 -12.644 1.00 0.78 C ATOM 0 HA PRO A 80 -8.484 -5.967 -9.731 1.00 0.66 H new ATOM 0 HB2 PRO A 80 -10.568 -6.720 -11.369 1.00 0.80 H new ATOM 0 HB3 PRO A 80 -9.690 -5.220 -11.595 1.00 0.80 H new ATOM 0 HG2 PRO A 80 -9.312 -7.868 -13.061 1.00 0.85 H new ATOM 0 HG3 PRO A 80 -9.317 -6.248 -13.729 1.00 0.85 H new ATOM 0 HD2 PRO A 80 -6.960 -7.494 -13.223 1.00 0.78 H new ATOM 0 HD3 PRO A 80 -7.115 -5.769 -12.955 1.00 0.78 H new ATOM 1212 N GLY A 81 -9.361 -7.848 -8.451 1.00 0.63 N ATOM 1213 CA GLY A 81 -9.573 -8.955 -7.511 1.00 0.66 C ATOM 1214 C GLY A 81 -8.283 -9.484 -6.857 1.00 0.60 C ATOM 1215 O GLY A 81 -8.222 -10.672 -6.536 1.00 0.74 O ATOM 0 H GLY A 81 -9.526 -6.932 -8.033 1.00 0.63 H new ATOM 0 HA2 GLY A 81 -10.256 -8.626 -6.728 1.00 0.66 H new ATOM 0 HA3 GLY A 81 -10.063 -9.775 -8.037 1.00 0.66 H new ATOM 1219 N SER A 82 -7.260 -8.637 -6.673 1.00 0.53 N ATOM 1220 CA SER A 82 -5.953 -8.976 -6.060 1.00 0.48 C ATOM 1221 C SER A 82 -5.721 -8.201 -4.756 1.00 0.47 C ATOM 1222 O SER A 82 -6.246 -7.100 -4.612 1.00 0.55 O ATOM 1223 CB SER A 82 -4.830 -8.659 -7.053 1.00 0.44 C ATOM 1224 OG SER A 82 -3.547 -9.002 -6.578 1.00 1.57 O ATOM 0 H SER A 82 -7.315 -7.658 -6.955 1.00 0.53 H new ATOM 0 HA SER A 82 -5.956 -10.039 -5.821 1.00 0.48 H new ATOM 0 HB2 SER A 82 -5.018 -9.192 -7.985 1.00 0.44 H new ATOM 0 HB3 SER A 82 -4.850 -7.594 -7.285 1.00 0.44 H new ATOM 0 HG SER A 82 -3.021 -9.390 -7.308 1.00 1.57 H new ATOM 1230 N THR A 83 -4.938 -8.717 -3.804 1.00 0.54 N ATOM 1231 CA THR A 83 -4.632 -8.037 -2.527 1.00 0.55 C ATOM 1232 C THR A 83 -3.198 -7.500 -2.459 1.00 0.53 C ATOM 1233 O THR A 83 -2.278 -8.028 -3.090 1.00 0.55 O ATOM 1234 CB THR A 83 -4.952 -8.917 -1.309 1.00 0.67 C ATOM 1235 OG1 THR A 83 -4.301 -10.166 -1.374 1.00 0.79 O ATOM 1236 CG2 THR A 83 -6.456 -9.166 -1.180 1.00 0.79 C ATOM 0 H THR A 83 -4.490 -9.629 -3.893 1.00 0.54 H new ATOM 0 HA THR A 83 -5.293 -7.171 -2.493 1.00 0.55 H new ATOM 0 HB THR A 83 -4.591 -8.368 -0.439 1.00 0.67 H new ATOM 0 HG1 THR A 83 -4.528 -10.695 -0.581 1.00 0.79 H new ATOM 0 HG21 THR A 83 -6.648 -9.792 -0.308 1.00 0.79 H new ATOM 0 HG22 THR A 83 -6.974 -8.214 -1.064 1.00 0.79 H new ATOM 0 HG23 THR A 83 -6.819 -9.670 -2.076 1.00 0.79 H new ATOM 1244 N VAL A 84 -3.005 -6.410 -1.709 1.00 0.53 N ATOM 1245 CA VAL A 84 -1.736 -5.665 -1.592 1.00 0.53 C ATOM 1246 C VAL A 84 -1.467 -5.195 -0.155 1.00 0.54 C ATOM 1247 O VAL A 84 -2.378 -5.154 0.677 1.00 0.60 O ATOM 1248 CB VAL A 84 -1.686 -4.462 -2.565 1.00 0.52 C ATOM 1249 CG1 VAL A 84 -1.624 -4.908 -4.031 1.00 0.54 C ATOM 1250 CG2 VAL A 84 -2.873 -3.505 -2.404 1.00 0.53 C ATOM 0 H VAL A 84 -3.751 -6.004 -1.145 1.00 0.53 H new ATOM 0 HA VAL A 84 -0.947 -6.365 -1.868 1.00 0.53 H new ATOM 0 HB VAL A 84 -0.771 -3.932 -2.299 1.00 0.52 H new ATOM 0 HG11 VAL A 84 -1.590 -4.031 -4.677 1.00 0.54 H new ATOM 0 HG12 VAL A 84 -0.730 -5.511 -4.190 1.00 0.54 H new ATOM 0 HG13 VAL A 84 -2.508 -5.500 -4.269 1.00 0.54 H new ATOM 0 HG21 VAL A 84 -2.778 -2.684 -3.115 1.00 0.53 H new ATOM 0 HG22 VAL A 84 -3.802 -4.043 -2.593 1.00 0.53 H new ATOM 0 HG23 VAL A 84 -2.884 -3.107 -1.389 1.00 0.53 H new ATOM 1260 N ILE A 85 -0.214 -4.819 0.124 1.00 0.54 N ATOM 1261 CA ILE A 85 0.237 -4.207 1.391 1.00 0.58 C ATOM 1262 C ILE A 85 1.077 -2.948 1.168 1.00 0.57 C ATOM 1263 O ILE A 85 1.707 -2.762 0.120 1.00 0.87 O ATOM 1264 CB ILE A 85 0.992 -5.185 2.327 1.00 0.73 C ATOM 1265 CG1 ILE A 85 2.427 -5.559 1.899 1.00 1.26 C ATOM 1266 CG2 ILE A 85 0.166 -6.444 2.618 1.00 0.91 C ATOM 1267 CD1 ILE A 85 2.595 -6.091 0.471 1.00 0.84 C ATOM 0 H ILE A 85 0.546 -4.934 -0.547 1.00 0.54 H new ATOM 0 HA ILE A 85 -0.687 -3.926 1.896 1.00 0.58 H new ATOM 0 HB ILE A 85 1.119 -4.611 3.245 1.00 0.73 H new ATOM 0 HG12 ILE A 85 3.058 -4.677 2.012 1.00 1.26 H new ATOM 0 HG13 ILE A 85 2.805 -6.312 2.591 1.00 1.26 H new ATOM 0 HG21 ILE A 85 0.729 -7.104 3.277 1.00 0.91 H new ATOM 0 HG22 ILE A 85 -0.770 -6.162 3.100 1.00 0.91 H new ATOM 0 HG23 ILE A 85 -0.049 -6.962 1.683 1.00 0.91 H new ATOM 0 HD11 ILE A 85 3.645 -6.318 0.289 1.00 0.84 H new ATOM 0 HD12 ILE A 85 2.001 -6.997 0.348 1.00 0.84 H new ATOM 0 HD13 ILE A 85 2.258 -5.337 -0.240 1.00 0.84 H new ATOM 1279 N ALA A 86 1.113 -2.092 2.189 1.00 0.48 N ATOM 1280 CA ALA A 86 1.820 -0.823 2.142 1.00 0.49 C ATOM 1281 C ALA A 86 3.344 -0.975 1.974 1.00 0.49 C ATOM 1282 O ALA A 86 3.943 -1.937 2.450 1.00 0.49 O ATOM 1283 CB ALA A 86 1.458 -0.008 3.388 1.00 0.58 C ATOM 0 H ALA A 86 0.646 -2.267 3.079 1.00 0.48 H new ATOM 0 HA ALA A 86 1.497 -0.289 1.248 1.00 0.49 H new ATOM 0 HB1 ALA A 86 1.983 0.947 3.363 1.00 0.58 H new ATOM 0 HB2 ALA A 86 0.383 0.170 3.407 1.00 0.58 H new ATOM 0 HB3 ALA A 86 1.750 -0.560 4.281 1.00 0.58 H new ATOM 1289 N GLY A 87 3.973 -0.013 1.295 1.00 0.55 N ATOM 1290 CA GLY A 87 5.424 0.007 1.053 1.00 0.63 C ATOM 1291 C GLY A 87 5.913 -0.920 -0.073 1.00 0.69 C ATOM 1292 O GLY A 87 7.108 -0.941 -0.376 1.00 0.89 O ATOM 0 H GLY A 87 3.485 0.787 0.891 1.00 0.55 H new ATOM 0 HA2 GLY A 87 5.723 1.028 0.817 1.00 0.63 H new ATOM 0 HA3 GLY A 87 5.934 -0.269 1.976 1.00 0.63 H new ATOM 1296 N SER A 88 5.014 -1.679 -0.708 1.00 0.62 N ATOM 1297 CA SER A 88 5.310 -2.378 -1.967 1.00 0.67 C ATOM 1298 C SER A 88 5.251 -1.374 -3.138 1.00 0.60 C ATOM 1299 O SER A 88 4.560 -0.353 -3.043 1.00 0.59 O ATOM 1300 CB SER A 88 4.427 -3.622 -2.149 1.00 0.70 C ATOM 1301 OG SER A 88 3.038 -3.354 -2.196 1.00 1.44 O ATOM 0 H SER A 88 4.064 -1.827 -0.367 1.00 0.62 H new ATOM 0 HA SER A 88 6.326 -2.772 -1.941 1.00 0.67 H new ATOM 0 HB2 SER A 88 4.718 -4.127 -3.070 1.00 0.70 H new ATOM 0 HB3 SER A 88 4.623 -4.314 -1.330 1.00 0.70 H new ATOM 0 HG SER A 88 2.714 -3.147 -1.295 1.00 1.44 H new ATOM 1307 N ILE A 89 6.014 -1.616 -4.214 1.00 0.56 N ATOM 1308 CA ILE A 89 6.237 -0.630 -5.297 1.00 0.49 C ATOM 1309 C ILE A 89 5.597 -1.079 -6.619 1.00 0.44 C ATOM 1310 O ILE A 89 5.792 -2.220 -7.041 1.00 0.52 O ATOM 1311 CB ILE A 89 7.741 -0.316 -5.517 1.00 0.53 C ATOM 1312 CG1 ILE A 89 8.673 -0.489 -4.293 1.00 0.63 C ATOM 1313 CG2 ILE A 89 7.877 1.105 -6.095 1.00 0.58 C ATOM 1314 CD1 ILE A 89 8.435 0.473 -3.124 1.00 0.73 C ATOM 0 H ILE A 89 6.498 -2.501 -4.364 1.00 0.56 H new ATOM 0 HA ILE A 89 5.749 0.287 -4.967 1.00 0.49 H new ATOM 0 HB ILE A 89 8.090 -1.078 -6.214 1.00 0.53 H new ATOM 0 HG12 ILE A 89 8.569 -1.509 -3.924 1.00 0.63 H new ATOM 0 HG13 ILE A 89 9.704 -0.374 -4.628 1.00 0.63 H new ATOM 0 HG21 ILE A 89 8.931 1.334 -6.253 1.00 0.58 H new ATOM 0 HG22 ILE A 89 7.347 1.163 -7.045 1.00 0.58 H new ATOM 0 HG23 ILE A 89 7.450 1.824 -5.396 1.00 0.58 H new ATOM 0 HD11 ILE A 89 9.145 0.258 -2.326 1.00 0.73 H new ATOM 0 HD12 ILE A 89 8.571 1.500 -3.464 1.00 0.73 H new ATOM 0 HD13 ILE A 89 7.419 0.347 -2.750 1.00 0.73 H new ATOM 1326 N ASN A 90 4.869 -0.184 -7.291 1.00 0.43 N ATOM 1327 CA ASN A 90 4.114 -0.431 -8.524 1.00 0.44 C ATOM 1328 C ASN A 90 4.910 -0.055 -9.796 1.00 0.56 C ATOM 1329 O ASN A 90 5.556 0.993 -9.821 1.00 0.65 O ATOM 1330 CB ASN A 90 2.810 0.373 -8.396 1.00 0.49 C ATOM 1331 CG ASN A 90 1.842 0.081 -9.504 1.00 0.68 C ATOM 1332 OD1 ASN A 90 1.283 -0.994 -9.595 1.00 1.56 O ATOM 1333 ND2 ASN A 90 1.624 1.024 -10.379 1.00 0.56 N ATOM 0 H ASN A 90 4.785 0.782 -6.975 1.00 0.43 H new ATOM 0 HA ASN A 90 3.908 -1.495 -8.640 1.00 0.44 H new ATOM 0 HB2 ASN A 90 2.340 0.147 -7.439 1.00 0.49 H new ATOM 0 HB3 ASN A 90 3.043 1.438 -8.393 1.00 0.49 H new ATOM 0 HD21 ASN A 90 0.978 0.863 -11.151 1.00 0.56 H new ATOM 0 HD22 ASN A 90 2.100 1.922 -10.291 1.00 0.56 H new ATOM 1340 N GLN A 91 4.870 -0.874 -10.857 1.00 0.66 N ATOM 1341 CA GLN A 91 5.759 -0.718 -12.024 1.00 0.79 C ATOM 1342 C GLN A 91 5.266 0.270 -13.110 1.00 1.58 C ATOM 1343 O GLN A 91 5.584 1.459 -13.028 1.00 3.32 O ATOM 1344 CB GLN A 91 6.176 -2.108 -12.556 1.00 1.31 C ATOM 1345 CG GLN A 91 7.301 -2.098 -13.609 1.00 1.78 C ATOM 1346 CD GLN A 91 8.610 -1.546 -13.056 1.00 2.21 C ATOM 1347 OE1 GLN A 91 9.399 -2.252 -12.444 1.00 3.06 O ATOM 1348 NE2 GLN A 91 8.883 -0.275 -13.237 1.00 2.48 N ATOM 0 H GLN A 91 4.225 -1.660 -10.933 1.00 0.66 H new ATOM 0 HA GLN A 91 6.658 -0.211 -11.673 1.00 0.79 H new ATOM 0 HB2 GLN A 91 6.495 -2.721 -11.713 1.00 1.31 H new ATOM 0 HB3 GLN A 91 5.300 -2.591 -12.988 1.00 1.31 H new ATOM 0 HG2 GLN A 91 7.463 -3.112 -13.973 1.00 1.78 H new ATOM 0 HG3 GLN A 91 6.989 -1.498 -14.464 1.00 1.78 H new ATOM 0 HE21 GLN A 91 8.229 0.319 -13.747 1.00 2.48 H new ATOM 0 HE22 GLN A 91 9.749 0.118 -12.868 1.00 2.48 H new ATOM 1357 N ASN A 92 4.548 -0.205 -14.143 1.00 0.95 N ATOM 1358 CA ASN A 92 4.255 0.575 -15.365 1.00 1.71 C ATOM 1359 C ASN A 92 2.796 1.047 -15.568 1.00 1.81 C ATOM 1360 O ASN A 92 2.586 2.099 -16.177 1.00 3.16 O ATOM 1361 CB ASN A 92 4.761 -0.244 -16.565 1.00 2.42 C ATOM 1362 CG ASN A 92 4.539 0.467 -17.890 1.00 3.22 C ATOM 1363 OD1 ASN A 92 5.242 1.407 -18.247 1.00 3.94 O ATOM 1364 ND2 ASN A 92 3.541 0.062 -18.638 1.00 3.36 N ATOM 0 H ASN A 92 4.152 -1.145 -14.157 1.00 0.95 H new ATOM 0 HA ASN A 92 4.779 1.525 -15.258 1.00 1.71 H new ATOM 0 HB2 ASN A 92 5.824 -0.448 -16.439 1.00 2.42 H new ATOM 0 HB3 ASN A 92 4.252 -1.208 -16.584 1.00 2.42 H new ATOM 0 HD21 ASN A 92 3.345 0.529 -19.523 1.00 3.36 H new ATOM 0 HD22 ASN A 92 2.961 -0.720 -18.335 1.00 3.36 H new ATOM 1371 N GLY A 93 1.797 0.304 -15.081 1.00 1.02 N ATOM 1372 CA GLY A 93 0.365 0.634 -15.191 1.00 1.26 C ATOM 1373 C GLY A 93 -0.261 1.082 -13.862 1.00 1.20 C ATOM 1374 O GLY A 93 0.187 0.664 -12.790 1.00 1.96 O ATOM 0 H GLY A 93 1.963 -0.571 -14.584 1.00 1.02 H new ATOM 0 HA2 GLY A 93 0.238 1.426 -15.929 1.00 1.26 H new ATOM 0 HA3 GLY A 93 -0.174 -0.238 -15.562 1.00 1.26 H new ATOM 1378 N SER A 94 -1.287 1.933 -13.925 1.00 0.85 N ATOM 1379 CA SER A 94 -1.955 2.579 -12.782 1.00 0.91 C ATOM 1380 C SER A 94 -3.247 1.852 -12.369 1.00 0.81 C ATOM 1381 O SER A 94 -4.017 1.401 -13.225 1.00 0.99 O ATOM 1382 CB SER A 94 -2.204 4.049 -13.141 1.00 1.43 C ATOM 1383 OG SER A 94 -2.672 4.823 -12.053 1.00 2.50 O ATOM 0 H SER A 94 -1.699 2.207 -14.817 1.00 0.85 H new ATOM 0 HA SER A 94 -1.308 2.523 -11.907 1.00 0.91 H new ATOM 0 HB2 SER A 94 -1.278 4.485 -13.516 1.00 1.43 H new ATOM 0 HB3 SER A 94 -2.931 4.099 -13.952 1.00 1.43 H new ATOM 0 HG SER A 94 -2.037 4.760 -11.309 1.00 2.50 H new ATOM 1389 N LEU A 95 -3.485 1.730 -11.057 1.00 0.71 N ATOM 1390 CA LEU A 95 -4.522 0.873 -10.444 1.00 0.64 C ATOM 1391 C LEU A 95 -5.333 1.618 -9.376 1.00 0.64 C ATOM 1392 O LEU A 95 -4.859 2.616 -8.829 1.00 0.67 O ATOM 1393 CB LEU A 95 -3.881 -0.368 -9.770 1.00 0.52 C ATOM 1394 CG LEU A 95 -2.532 -0.880 -10.298 1.00 0.85 C ATOM 1395 CD1 LEU A 95 -1.990 -1.946 -9.343 1.00 0.71 C ATOM 1396 CD2 LEU A 95 -2.710 -1.494 -11.675 1.00 1.32 C ATOM 0 H LEU A 95 -2.943 2.243 -10.362 1.00 0.71 H new ATOM 0 HA LEU A 95 -5.186 0.573 -11.255 1.00 0.64 H new ATOM 0 HB2 LEU A 95 -3.757 -0.142 -8.711 1.00 0.52 H new ATOM 0 HB3 LEU A 95 -4.596 -1.188 -9.839 1.00 0.52 H new ATOM 0 HG LEU A 95 -1.835 -0.045 -10.364 1.00 0.85 H new ATOM 0 HD11 LEU A 95 -1.033 -2.313 -9.713 1.00 0.71 H new ATOM 0 HD12 LEU A 95 -1.854 -1.512 -8.352 1.00 0.71 H new ATOM 0 HD13 LEU A 95 -2.697 -2.774 -9.282 1.00 0.71 H new ATOM 0 HD21 LEU A 95 -1.748 -1.854 -12.040 1.00 1.32 H new ATOM 0 HD22 LEU A 95 -3.410 -2.328 -11.614 1.00 1.32 H new ATOM 0 HD23 LEU A 95 -3.100 -0.742 -12.361 1.00 1.32 H new ATOM 1408 N LEU A 96 -6.504 1.082 -9.011 1.00 0.65 N ATOM 1409 CA LEU A 96 -7.328 1.582 -7.903 1.00 0.69 C ATOM 1410 C LEU A 96 -7.495 0.537 -6.782 1.00 0.58 C ATOM 1411 O LEU A 96 -7.891 -0.607 -7.028 1.00 0.57 O ATOM 1412 CB LEU A 96 -8.684 2.100 -8.416 1.00 0.94 C ATOM 1413 CG LEU A 96 -8.615 3.444 -9.172 1.00 1.32 C ATOM 1414 CD1 LEU A 96 -8.374 3.267 -10.672 1.00 1.79 C ATOM 1415 CD2 LEU A 96 -9.931 4.205 -9.013 1.00 1.96 C ATOM 0 H LEU A 96 -6.912 0.276 -9.484 1.00 0.65 H new ATOM 0 HA LEU A 96 -6.799 2.425 -7.457 1.00 0.69 H new ATOM 0 HB2 LEU A 96 -9.119 1.349 -9.076 1.00 0.94 H new ATOM 0 HB3 LEU A 96 -9.360 2.209 -7.568 1.00 0.94 H new ATOM 0 HG LEU A 96 -7.778 3.991 -8.739 1.00 1.32 H new ATOM 0 HD11 LEU A 96 -8.335 4.245 -11.152 1.00 1.79 H new ATOM 0 HD12 LEU A 96 -7.429 2.747 -10.830 1.00 1.79 H new ATOM 0 HD13 LEU A 96 -9.186 2.683 -11.105 1.00 1.79 H new ATOM 0 HD21 LEU A 96 -9.871 5.152 -9.550 1.00 1.96 H new ATOM 0 HD22 LEU A 96 -10.748 3.608 -9.419 1.00 1.96 H new ATOM 0 HD23 LEU A 96 -10.114 4.399 -7.956 1.00 1.96 H new ATOM 1427 N ILE A 97 -7.196 0.951 -5.542 1.00 0.56 N ATOM 1428 CA ILE A 97 -7.128 0.088 -4.348 1.00 0.51 C ATOM 1429 C ILE A 97 -8.082 0.564 -3.243 1.00 0.61 C ATOM 1430 O ILE A 97 -8.083 1.740 -2.880 1.00 0.66 O ATOM 1431 CB ILE A 97 -5.679 0.004 -3.812 1.00 0.55 C ATOM 1432 CG1 ILE A 97 -4.655 -0.321 -4.922 1.00 0.73 C ATOM 1433 CG2 ILE A 97 -5.564 -1.077 -2.721 1.00 0.59 C ATOM 1434 CD1 ILE A 97 -3.998 0.917 -5.540 1.00 1.21 C ATOM 0 H ILE A 97 -6.988 1.927 -5.333 1.00 0.56 H new ATOM 0 HA ILE A 97 -7.447 -0.909 -4.652 1.00 0.51 H new ATOM 0 HB ILE A 97 -5.451 0.988 -3.403 1.00 0.55 H new ATOM 0 HG12 ILE A 97 -3.878 -0.965 -4.509 1.00 0.73 H new ATOM 0 HG13 ILE A 97 -5.154 -0.887 -5.709 1.00 0.73 H new ATOM 0 HG21 ILE A 97 -4.537 -1.120 -2.358 1.00 0.59 H new ATOM 0 HG22 ILE A 97 -6.231 -0.832 -1.895 1.00 0.59 H new ATOM 0 HG23 ILE A 97 -5.842 -2.045 -3.137 1.00 0.59 H new ATOM 0 HD11 ILE A 97 -3.292 0.608 -6.311 1.00 1.21 H new ATOM 0 HD12 ILE A 97 -4.764 1.552 -5.984 1.00 1.21 H new ATOM 0 HD13 ILE A 97 -3.469 1.473 -4.766 1.00 1.21 H new ATOM 1446 N CYS A 98 -8.860 -0.354 -2.668 1.00 0.68 N ATOM 1447 CA CYS A 98 -9.838 -0.079 -1.613 1.00 0.63 C ATOM 1448 C CYS A 98 -9.175 -0.083 -0.226 1.00 0.70 C ATOM 1449 O CYS A 98 -8.653 -1.112 0.211 1.00 0.85 O ATOM 1450 CB CYS A 98 -10.973 -1.117 -1.678 1.00 0.77 C ATOM 1451 SG CYS A 98 -11.662 -1.267 -3.349 1.00 2.08 S ATOM 0 H CYS A 98 -8.826 -1.339 -2.931 1.00 0.68 H new ATOM 0 HA CYS A 98 -10.254 0.916 -1.774 1.00 0.63 H new ATOM 0 HB2 CYS A 98 -10.596 -2.087 -1.353 1.00 0.77 H new ATOM 0 HB3 CYS A 98 -11.764 -0.833 -0.984 1.00 0.77 H new ATOM 0 HG CYS A 98 -12.612 -2.155 -3.349 1.00 2.08 H new ATOM 1457 N ALA A 99 -9.208 1.046 0.486 1.00 0.67 N ATOM 1458 CA ALA A 99 -8.682 1.157 1.845 1.00 0.82 C ATOM 1459 C ALA A 99 -9.680 0.619 2.891 1.00 0.88 C ATOM 1460 O ALA A 99 -10.762 1.181 3.066 1.00 0.99 O ATOM 1461 CB ALA A 99 -8.319 2.626 2.105 1.00 0.85 C ATOM 0 H ALA A 99 -9.605 1.916 0.130 1.00 0.67 H new ATOM 0 HA ALA A 99 -7.789 0.540 1.941 1.00 0.82 H new ATOM 0 HB1 ALA A 99 -7.924 2.730 3.116 1.00 0.85 H new ATOM 0 HB2 ALA A 99 -7.565 2.947 1.386 1.00 0.85 H new ATOM 0 HB3 ALA A 99 -9.210 3.245 1.998 1.00 0.85 H new ATOM 1467 N THR A 100 -9.293 -0.441 3.611 1.00 0.92 N ATOM 1468 CA THR A 100 -10.057 -1.025 4.742 1.00 1.07 C ATOM 1469 C THR A 100 -9.378 -0.859 6.119 1.00 1.08 C ATOM 1470 O THR A 100 -9.881 -1.352 7.134 1.00 1.10 O ATOM 1471 CB THR A 100 -10.423 -2.488 4.448 1.00 1.26 C ATOM 1472 OG1 THR A 100 -11.269 -2.991 5.454 1.00 2.82 O ATOM 1473 CG2 THR A 100 -9.204 -3.403 4.370 1.00 2.13 C ATOM 0 H THR A 100 -8.420 -0.935 3.426 1.00 0.92 H new ATOM 0 HA THR A 100 -10.977 -0.445 4.821 1.00 1.07 H new ATOM 0 HB THR A 100 -10.918 -2.483 3.477 1.00 1.26 H new ATOM 0 HG1 THR A 100 -11.048 -2.567 6.309 1.00 2.82 H new ATOM 0 HG21 THR A 100 -9.527 -4.423 4.160 1.00 2.13 H new ATOM 0 HG22 THR A 100 -8.543 -3.061 3.574 1.00 2.13 H new ATOM 0 HG23 THR A 100 -8.670 -3.380 5.320 1.00 2.13 H new ATOM 1481 N HIS A 101 -8.263 -0.131 6.162 1.00 1.06 N ATOM 1482 CA HIS A 101 -7.473 0.222 7.345 1.00 1.07 C ATOM 1483 C HIS A 101 -6.768 1.566 7.088 1.00 0.92 C ATOM 1484 O HIS A 101 -6.347 1.815 5.955 1.00 0.78 O ATOM 1485 CB HIS A 101 -6.371 -0.838 7.575 1.00 1.14 C ATOM 1486 CG HIS A 101 -6.824 -2.216 8.000 1.00 1.48 C ATOM 1487 ND1 HIS A 101 -6.524 -3.406 7.368 1.00 1.72 N ATOM 1488 CD2 HIS A 101 -7.499 -2.536 9.148 1.00 1.85 C ATOM 1489 CE1 HIS A 101 -7.032 -4.410 8.103 1.00 2.14 C ATOM 1490 NE2 HIS A 101 -7.640 -3.932 9.203 1.00 2.18 N ATOM 0 H HIS A 101 -7.857 0.256 5.310 1.00 1.06 H new ATOM 0 HA HIS A 101 -8.135 0.278 8.209 1.00 1.07 H new ATOM 0 HB2 HIS A 101 -5.800 -0.939 6.652 1.00 1.14 H new ATOM 0 HB3 HIS A 101 -5.687 -0.457 8.333 1.00 1.14 H new ATOM 0 HD1 HIS A 101 -6.007 -3.506 6.495 1.00 1.72 H new ATOM 0 HD2 HIS A 101 -7.861 -1.834 9.885 1.00 1.85 H new ATOM 0 HE1 HIS A 101 -6.962 -5.457 7.846 1.00 2.14 H new ATOM 1498 N VAL A 102 -6.616 2.423 8.105 1.00 1.07 N ATOM 1499 CA VAL A 102 -5.663 3.557 8.032 1.00 1.06 C ATOM 1500 C VAL A 102 -4.268 3.035 8.385 1.00 1.01 C ATOM 1501 O VAL A 102 -4.155 1.951 8.958 1.00 1.01 O ATOM 1502 CB VAL A 102 -6.065 4.781 8.874 1.00 1.39 C ATOM 1503 CG1 VAL A 102 -7.284 5.455 8.241 1.00 2.08 C ATOM 1504 CG2 VAL A 102 -6.365 4.474 10.343 1.00 1.51 C ATOM 0 H VAL A 102 -7.131 2.361 8.983 1.00 1.07 H new ATOM 0 HA VAL A 102 -5.672 3.940 7.012 1.00 1.06 H new ATOM 0 HB VAL A 102 -5.197 5.440 8.875 1.00 1.39 H new ATOM 0 HG11 VAL A 102 -7.570 6.322 8.836 1.00 2.08 H new ATOM 0 HG12 VAL A 102 -7.038 5.775 7.228 1.00 2.08 H new ATOM 0 HG13 VAL A 102 -8.113 4.749 8.207 1.00 2.08 H new ATOM 0 HG21 VAL A 102 -6.639 5.394 10.858 1.00 1.51 H new ATOM 0 HG22 VAL A 102 -7.190 3.764 10.405 1.00 1.51 H new ATOM 0 HG23 VAL A 102 -5.480 4.045 10.813 1.00 1.51 H new ATOM 1514 N GLY A 103 -3.190 3.756 8.054 1.00 1.18 N ATOM 1515 CA GLY A 103 -1.817 3.216 8.135 1.00 1.31 C ATOM 1516 C GLY A 103 -1.438 2.609 9.494 1.00 1.34 C ATOM 1517 O GLY A 103 -0.860 1.518 9.542 1.00 1.39 O ATOM 0 H GLY A 103 -3.237 4.720 7.725 1.00 1.18 H new ATOM 0 HA2 GLY A 103 -1.697 2.452 7.367 1.00 1.31 H new ATOM 0 HA3 GLY A 103 -1.114 4.016 7.902 1.00 1.31 H new ATOM 1521 N ALA A 104 -1.870 3.229 10.594 1.00 1.48 N ATOM 1522 CA ALA A 104 -1.705 2.708 11.953 1.00 1.56 C ATOM 1523 C ALA A 104 -2.314 1.303 12.153 1.00 1.36 C ATOM 1524 O ALA A 104 -1.723 0.451 12.817 1.00 1.37 O ATOM 1525 CB ALA A 104 -2.359 3.707 12.920 1.00 1.86 C ATOM 0 H ALA A 104 -2.354 4.126 10.565 1.00 1.48 H new ATOM 0 HA ALA A 104 -0.638 2.598 12.146 1.00 1.56 H new ATOM 0 HB1 ALA A 104 -2.252 3.346 13.943 1.00 1.86 H new ATOM 0 HB2 ALA A 104 -1.872 4.677 12.825 1.00 1.86 H new ATOM 0 HB3 ALA A 104 -3.417 3.807 12.679 1.00 1.86 H new ATOM 1531 N ASP A 105 -3.511 1.057 11.619 1.00 1.27 N ATOM 1532 CA ASP A 105 -4.249 -0.210 11.722 1.00 1.29 C ATOM 1533 C ASP A 105 -3.739 -1.338 10.799 1.00 1.11 C ATOM 1534 O ASP A 105 -4.178 -2.477 10.931 1.00 1.33 O ATOM 1535 CB ASP A 105 -5.757 0.064 11.548 1.00 1.56 C ATOM 1536 CG ASP A 105 -6.590 -0.466 12.719 1.00 2.54 C ATOM 1537 OD1 ASP A 105 -6.339 -0.032 13.871 1.00 4.04 O ATOM 1538 OD2 ASP A 105 -7.545 -1.248 12.496 1.00 2.74 O ATOM 0 H ASP A 105 -4.016 1.761 11.081 1.00 1.27 H new ATOM 0 HA ASP A 105 -4.063 -0.605 12.721 1.00 1.29 H new ATOM 0 HB2 ASP A 105 -5.919 1.137 11.448 1.00 1.56 H new ATOM 0 HB3 ASP A 105 -6.102 -0.398 10.623 1.00 1.56 H new ATOM 1543 N THR A 106 -2.827 -1.052 9.860 1.00 0.92 N ATOM 1544 CA THR A 106 -2.339 -2.032 8.862 1.00 1.03 C ATOM 1545 C THR A 106 -1.465 -3.142 9.461 1.00 1.09 C ATOM 1546 O THR A 106 -0.871 -2.970 10.532 1.00 1.08 O ATOM 1547 CB THR A 106 -1.546 -1.367 7.723 1.00 1.11 C ATOM 1548 OG1 THR A 106 -0.355 -0.777 8.192 1.00 1.42 O ATOM 1549 CG2 THR A 106 -2.353 -0.337 6.941 1.00 1.66 C ATOM 0 H THR A 106 -2.400 -0.130 9.765 1.00 0.92 H new ATOM 0 HA THR A 106 -3.252 -2.480 8.470 1.00 1.03 H new ATOM 0 HB THR A 106 -1.301 -2.178 7.037 1.00 1.11 H new ATOM 0 HG1 THR A 106 -0.554 0.103 8.575 1.00 1.42 H new ATOM 0 HG21 THR A 106 -1.732 0.091 6.154 1.00 1.66 H new ATOM 0 HG22 THR A 106 -3.223 -0.819 6.495 1.00 1.66 H new ATOM 0 HG23 THR A 106 -2.682 0.454 7.614 1.00 1.66 H new ATOM 1557 N THR A 107 -1.312 -4.257 8.734 1.00 1.20 N ATOM 1558 CA THR A 107 -0.381 -5.349 9.092 1.00 1.23 C ATOM 1559 C THR A 107 1.082 -4.886 9.086 1.00 1.19 C ATOM 1560 O THR A 107 1.858 -5.290 9.948 1.00 1.14 O ATOM 1561 CB THR A 107 -0.583 -6.602 8.214 1.00 1.46 C ATOM 1562 OG1 THR A 107 0.127 -7.696 8.753 1.00 1.64 O ATOM 1563 CG2 THR A 107 -0.147 -6.444 6.755 1.00 1.89 C ATOM 0 H THR A 107 -1.832 -4.433 7.874 1.00 1.20 H new ATOM 0 HA THR A 107 -0.623 -5.636 10.115 1.00 1.23 H new ATOM 0 HB THR A 107 -1.661 -6.766 8.217 1.00 1.46 H new ATOM 0 HG1 THR A 107 -0.010 -8.485 8.188 1.00 1.64 H new ATOM 0 HG21 THR A 107 -0.327 -7.375 6.218 1.00 1.89 H new ATOM 0 HG22 THR A 107 -0.718 -5.641 6.290 1.00 1.89 H new ATOM 0 HG23 THR A 107 0.915 -6.203 6.717 1.00 1.89 H new ATOM 1571 N LEU A 108 1.455 -3.946 8.205 1.00 1.26 N ATOM 1572 CA LEU A 108 2.810 -3.378 8.157 1.00 1.28 C ATOM 1573 C LEU A 108 3.184 -2.702 9.493 1.00 1.18 C ATOM 1574 O LEU A 108 4.256 -2.947 10.045 1.00 1.17 O ATOM 1575 CB LEU A 108 2.887 -2.381 6.982 1.00 1.45 C ATOM 1576 CG LEU A 108 4.339 -2.066 6.566 1.00 0.65 C ATOM 1577 CD1 LEU A 108 4.866 -3.115 5.584 1.00 1.37 C ATOM 1578 CD2 LEU A 108 4.434 -0.708 5.879 1.00 0.67 C ATOM 0 H LEU A 108 0.824 -3.558 7.504 1.00 1.26 H new ATOM 0 HA LEU A 108 3.533 -4.179 8.000 1.00 1.28 H new ATOM 0 HB2 LEU A 108 2.349 -2.790 6.127 1.00 1.45 H new ATOM 0 HB3 LEU A 108 2.384 -1.455 7.262 1.00 1.45 H new ATOM 0 HG LEU A 108 4.933 -2.067 7.480 1.00 0.65 H new ATOM 0 HD11 LEU A 108 5.891 -2.871 5.306 1.00 1.37 H new ATOM 0 HD12 LEU A 108 4.842 -4.098 6.054 1.00 1.37 H new ATOM 0 HD13 LEU A 108 4.240 -3.125 4.691 1.00 1.37 H new ATOM 0 HD21 LEU A 108 5.469 -0.514 5.598 1.00 0.67 H new ATOM 0 HD22 LEU A 108 3.809 -0.708 4.986 1.00 0.67 H new ATOM 0 HD23 LEU A 108 4.092 0.070 6.562 1.00 0.67 H new ATOM 1590 N SER A 109 2.256 -1.910 10.042 1.00 1.16 N ATOM 1591 CA SER A 109 2.380 -1.304 11.375 1.00 1.14 C ATOM 1592 C SER A 109 2.236 -2.335 12.507 1.00 1.08 C ATOM 1593 O SER A 109 2.913 -2.227 13.524 1.00 1.10 O ATOM 1594 CB SER A 109 1.353 -0.177 11.529 1.00 1.21 C ATOM 1595 OG SER A 109 1.595 0.835 10.564 1.00 2.14 O ATOM 0 H SER A 109 1.386 -1.668 9.568 1.00 1.16 H new ATOM 0 HA SER A 109 3.386 -0.892 11.459 1.00 1.14 H new ATOM 0 HB2 SER A 109 0.345 -0.573 11.407 1.00 1.21 H new ATOM 0 HB3 SER A 109 1.411 0.244 12.533 1.00 1.21 H new ATOM 0 HG SER A 109 0.745 1.116 10.164 1.00 2.14 H new ATOM 1601 N GLN A 110 1.412 -3.375 12.331 1.00 1.09 N ATOM 1602 CA GLN A 110 1.216 -4.453 13.314 1.00 1.12 C ATOM 1603 C GLN A 110 2.527 -5.220 13.567 1.00 1.12 C ATOM 1604 O GLN A 110 2.867 -5.502 14.715 1.00 1.20 O ATOM 1605 CB GLN A 110 0.129 -5.407 12.776 1.00 1.14 C ATOM 1606 CG GLN A 110 -0.469 -6.403 13.779 1.00 1.31 C ATOM 1607 CD GLN A 110 -1.613 -5.811 14.584 1.00 1.70 C ATOM 1608 OE1 GLN A 110 -1.596 -5.766 15.809 1.00 2.01 O ATOM 1609 NE2 GLN A 110 -2.665 -5.355 13.943 1.00 1.88 N ATOM 0 H GLN A 110 0.852 -3.495 11.487 1.00 1.09 H new ATOM 0 HA GLN A 110 0.903 -4.024 14.266 1.00 1.12 H new ATOM 0 HB2 GLN A 110 -0.683 -4.804 12.370 1.00 1.14 H new ATOM 0 HB3 GLN A 110 0.552 -5.972 11.946 1.00 1.14 H new ATOM 0 HG2 GLN A 110 -0.825 -7.283 13.243 1.00 1.31 H new ATOM 0 HG3 GLN A 110 0.313 -6.740 14.460 1.00 1.31 H new ATOM 0 HE21 GLN A 110 -2.694 -5.386 12.924 1.00 1.88 H new ATOM 0 HE22 GLN A 110 -3.453 -4.970 14.464 1.00 1.88 H new ATOM 1618 N ILE A 111 3.285 -5.511 12.502 1.00 1.09 N ATOM 1619 CA ILE A 111 4.566 -6.231 12.548 1.00 1.12 C ATOM 1620 C ILE A 111 5.586 -5.473 13.404 1.00 1.11 C ATOM 1621 O ILE A 111 6.098 -6.023 14.380 1.00 1.20 O ATOM 1622 CB ILE A 111 5.082 -6.491 11.109 1.00 1.17 C ATOM 1623 CG1 ILE A 111 4.182 -7.526 10.392 1.00 1.27 C ATOM 1624 CG2 ILE A 111 6.545 -6.979 11.102 1.00 1.22 C ATOM 1625 CD1 ILE A 111 4.315 -7.504 8.863 1.00 1.38 C ATOM 0 H ILE A 111 3.016 -5.244 11.555 1.00 1.09 H new ATOM 0 HA ILE A 111 4.415 -7.200 13.023 1.00 1.12 H new ATOM 0 HB ILE A 111 5.042 -5.542 10.575 1.00 1.17 H new ATOM 0 HG12 ILE A 111 4.430 -8.523 10.755 1.00 1.27 H new ATOM 0 HG13 ILE A 111 3.142 -7.338 10.660 1.00 1.27 H new ATOM 0 HG21 ILE A 111 6.867 -7.149 10.075 1.00 1.22 H new ATOM 0 HG22 ILE A 111 7.183 -6.224 11.562 1.00 1.22 H new ATOM 0 HG23 ILE A 111 6.621 -7.909 11.665 1.00 1.22 H new ATOM 0 HD11 ILE A 111 3.655 -8.256 8.430 1.00 1.38 H new ATOM 0 HD12 ILE A 111 4.039 -6.519 8.488 1.00 1.38 H new ATOM 0 HD13 ILE A 111 5.346 -7.722 8.584 1.00 1.38 H new ATOM 1637 N VAL A 112 5.864 -4.199 13.097 1.00 1.11 N ATOM 1638 CA VAL A 112 6.907 -3.442 13.821 1.00 1.17 C ATOM 1639 C VAL A 112 6.556 -3.173 15.288 1.00 1.29 C ATOM 1640 O VAL A 112 7.469 -3.022 16.101 1.00 1.39 O ATOM 1641 CB VAL A 112 7.311 -2.140 13.105 1.00 1.27 C ATOM 1642 CG1 VAL A 112 7.841 -2.422 11.696 1.00 1.29 C ATOM 1643 CG2 VAL A 112 6.174 -1.121 12.995 1.00 1.34 C ATOM 0 H VAL A 112 5.391 -3.672 12.363 1.00 1.11 H new ATOM 0 HA VAL A 112 7.776 -4.100 13.818 1.00 1.17 H new ATOM 0 HB VAL A 112 8.093 -1.708 13.730 1.00 1.27 H new ATOM 0 HG11 VAL A 112 8.118 -1.483 11.217 1.00 1.29 H new ATOM 0 HG12 VAL A 112 8.716 -3.069 11.759 1.00 1.29 H new ATOM 0 HG13 VAL A 112 7.067 -2.915 11.108 1.00 1.29 H new ATOM 0 HG21 VAL A 112 6.533 -0.230 12.480 1.00 1.34 H new ATOM 0 HG22 VAL A 112 5.348 -1.557 12.434 1.00 1.34 H new ATOM 0 HG23 VAL A 112 5.831 -0.849 13.993 1.00 1.34 H new ATOM 1653 N LYS A 113 5.262 -3.169 15.641 1.00 1.36 N ATOM 1654 CA LYS A 113 4.767 -3.134 17.029 1.00 1.57 C ATOM 1655 C LYS A 113 4.975 -4.469 17.753 1.00 1.62 C ATOM 1656 O LYS A 113 5.546 -4.486 18.842 1.00 1.73 O ATOM 1657 CB LYS A 113 3.288 -2.710 17.047 1.00 1.73 C ATOM 1658 CG LYS A 113 3.094 -1.261 16.569 1.00 1.83 C ATOM 1659 CD LYS A 113 1.623 -0.896 16.350 1.00 2.11 C ATOM 1660 CE LYS A 113 0.945 -0.687 17.700 1.00 2.53 C ATOM 1661 NZ LYS A 113 -0.473 -0.299 17.549 1.00 2.78 N ATOM 0 H LYS A 113 4.510 -3.191 14.953 1.00 1.36 H new ATOM 0 HA LYS A 113 5.352 -2.394 17.576 1.00 1.57 H new ATOM 0 HB2 LYS A 113 2.711 -3.381 16.410 1.00 1.73 H new ATOM 0 HB3 LYS A 113 2.894 -2.813 18.058 1.00 1.73 H new ATOM 0 HG2 LYS A 113 3.526 -0.581 17.303 1.00 1.83 H new ATOM 0 HG3 LYS A 113 3.642 -1.115 15.638 1.00 1.83 H new ATOM 0 HD2 LYS A 113 1.548 0.010 15.749 1.00 2.11 H new ATOM 0 HD3 LYS A 113 1.119 -1.688 15.797 1.00 2.11 H new ATOM 0 HE2 LYS A 113 1.010 -1.604 18.285 1.00 2.53 H new ATOM 0 HE3 LYS A 113 1.476 0.085 18.257 1.00 2.53 H new ATOM 0 HZ1 LYS A 113 -0.899 -0.166 18.489 1.00 2.78 H new ATOM 0 HZ2 LYS A 113 -0.534 0.590 17.012 1.00 2.78 H new ATOM 0 HZ3 LYS A 113 -0.985 -1.047 17.040 1.00 2.78 H new ATOM 1675 N LEU A 114 4.586 -5.593 17.143 1.00 1.63 N ATOM 1676 CA LEU A 114 4.743 -6.933 17.725 1.00 1.81 C ATOM 1677 C LEU A 114 6.209 -7.363 17.877 1.00 1.74 C ATOM 1678 O LEU A 114 6.520 -8.159 18.769 1.00 1.87 O ATOM 1679 CB LEU A 114 3.966 -7.950 16.863 1.00 1.89 C ATOM 1680 CG LEU A 114 2.512 -8.166 17.295 1.00 2.69 C ATOM 1681 CD1 LEU A 114 1.804 -9.081 16.293 1.00 2.77 C ATOM 1682 CD2 LEU A 114 2.421 -8.816 18.681 1.00 3.45 C ATOM 0 H LEU A 114 4.149 -5.600 16.222 1.00 1.63 H new ATOM 0 HA LEU A 114 4.336 -6.901 18.736 1.00 1.81 H new ATOM 0 HB2 LEU A 114 3.978 -7.613 15.826 1.00 1.89 H new ATOM 0 HB3 LEU A 114 4.487 -8.907 16.893 1.00 1.89 H new ATOM 0 HG LEU A 114 2.037 -7.186 17.332 1.00 2.69 H new ATOM 0 HD11 LEU A 114 0.770 -9.231 16.605 1.00 2.77 H new ATOM 0 HD12 LEU A 114 1.822 -8.621 15.305 1.00 2.77 H new ATOM 0 HD13 LEU A 114 2.315 -10.043 16.255 1.00 2.77 H new ATOM 0 HD21 LEU A 114 1.374 -8.952 18.951 1.00 3.45 H new ATOM 0 HD22 LEU A 114 2.920 -9.785 18.662 1.00 3.45 H new ATOM 0 HD23 LEU A 114 2.905 -8.173 19.417 1.00 3.45 H new ATOM 1694 N VAL A 115 7.101 -6.848 17.027 1.00 1.61 N ATOM 1695 CA VAL A 115 8.556 -6.993 17.197 1.00 1.69 C ATOM 1696 C VAL A 115 9.024 -6.149 18.385 1.00 1.90 C ATOM 1697 O VAL A 115 9.636 -6.695 19.296 1.00 2.30 O ATOM 1698 CB VAL A 115 9.332 -6.685 15.901 1.00 1.54 C ATOM 1699 CG1 VAL A 115 10.850 -6.732 16.125 1.00 1.78 C ATOM 1700 CG2 VAL A 115 9.016 -7.720 14.813 1.00 1.60 C ATOM 0 H VAL A 115 6.837 -6.316 16.197 1.00 1.61 H new ATOM 0 HA VAL A 115 8.776 -8.037 17.418 1.00 1.69 H new ATOM 0 HB VAL A 115 9.023 -5.686 15.594 1.00 1.54 H new ATOM 0 HG11 VAL A 115 11.363 -6.510 15.189 1.00 1.78 H new ATOM 0 HG12 VAL A 115 11.130 -5.994 16.876 1.00 1.78 H new ATOM 0 HG13 VAL A 115 11.136 -7.726 16.469 1.00 1.78 H new ATOM 0 HG21 VAL A 115 9.576 -7.480 13.909 1.00 1.60 H new ATOM 0 HG22 VAL A 115 9.299 -8.713 15.162 1.00 1.60 H new ATOM 0 HG23 VAL A 115 7.948 -7.703 14.594 1.00 1.60 H new ATOM 1710 N GLU A 116 8.712 -4.851 18.423 1.00 1.79 N ATOM 1711 CA GLU A 116 9.143 -3.929 19.493 1.00 2.03 C ATOM 1712 C GLU A 116 8.710 -4.349 20.911 1.00 2.52 C ATOM 1713 O GLU A 116 9.455 -4.161 21.877 1.00 2.76 O ATOM 1714 CB GLU A 116 8.608 -2.530 19.147 1.00 2.05 C ATOM 1715 CG GLU A 116 9.258 -1.385 19.928 1.00 2.35 C ATOM 1716 CD GLU A 116 8.375 -0.808 21.046 1.00 2.79 C ATOM 1717 OE1 GLU A 116 8.442 -1.278 22.208 1.00 3.03 O ATOM 1718 OE2 GLU A 116 7.634 0.176 20.798 1.00 3.85 O ATOM 0 H GLU A 116 8.146 -4.399 17.705 1.00 1.79 H new ATOM 0 HA GLU A 116 10.232 -3.945 19.528 1.00 2.03 H new ATOM 0 HB2 GLU A 116 8.754 -2.353 18.081 1.00 2.05 H new ATOM 0 HB3 GLU A 116 7.533 -2.512 19.329 1.00 2.05 H new ATOM 0 HG2 GLU A 116 10.192 -1.741 20.364 1.00 2.35 H new ATOM 0 HG3 GLU A 116 9.515 -0.585 19.233 1.00 2.35 H new ATOM 1725 N GLU A 117 7.544 -4.986 21.035 1.00 2.71 N ATOM 1726 CA GLU A 117 7.037 -5.539 22.297 1.00 3.23 C ATOM 1727 C GLU A 117 7.882 -6.721 22.816 1.00 3.41 C ATOM 1728 O GLU A 117 7.937 -6.936 24.028 1.00 3.89 O ATOM 1729 CB GLU A 117 5.582 -6.002 22.090 1.00 3.28 C ATOM 1730 CG GLU A 117 4.569 -4.864 21.866 1.00 3.38 C ATOM 1731 CD GLU A 117 3.745 -4.527 23.116 1.00 3.92 C ATOM 1732 OE1 GLU A 117 2.947 -5.382 23.571 1.00 3.97 O ATOM 1733 OE2 GLU A 117 3.833 -3.380 23.622 1.00 4.86 O ATOM 0 H GLU A 117 6.913 -5.136 20.248 1.00 2.71 H new ATOM 0 HA GLU A 117 7.096 -4.751 23.048 1.00 3.23 H new ATOM 0 HB2 GLU A 117 5.548 -6.674 21.233 1.00 3.28 H new ATOM 0 HB3 GLU A 117 5.272 -6.580 22.961 1.00 3.28 H new ATOM 0 HG2 GLU A 117 5.103 -3.971 21.540 1.00 3.38 H new ATOM 0 HG3 GLU A 117 3.892 -5.143 21.058 1.00 3.38 H new ATOM 1740 N ALA A 118 8.514 -7.497 21.928 1.00 3.15 N ATOM 1741 CA ALA A 118 9.162 -8.758 22.269 1.00 3.49 C ATOM 1742 C ALA A 118 10.482 -8.555 23.029 1.00 3.70 C ATOM 1743 O ALA A 118 10.650 -9.060 24.144 1.00 4.44 O ATOM 1744 CB ALA A 118 9.296 -9.596 20.990 1.00 3.32 C ATOM 0 H ALA A 118 8.588 -7.259 20.939 1.00 3.15 H new ATOM 0 HA ALA A 118 8.544 -9.313 22.974 1.00 3.49 H new ATOM 0 HB1 ALA A 118 9.779 -10.544 21.225 1.00 3.32 H new ATOM 0 HB2 ALA A 118 8.306 -9.786 20.574 1.00 3.32 H new ATOM 0 HB3 ALA A 118 9.898 -9.053 20.261 1.00 3.32 H new ATOM 1750 N GLN A 119 11.435 -7.847 22.416 1.00 3.13 N ATOM 1751 CA GLN A 119 12.783 -7.607 22.950 1.00 3.25 C ATOM 1752 C GLN A 119 12.817 -6.606 24.107 1.00 3.69 C ATOM 1753 O GLN A 119 13.415 -6.940 25.159 1.00 4.06 O ATOM 1754 CB GLN A 119 13.723 -7.178 21.813 1.00 2.74 C ATOM 1755 CG GLN A 119 13.927 -8.241 20.721 1.00 2.95 C ATOM 1756 CD GLN A 119 12.783 -8.390 19.757 1.00 2.99 C ATOM 1757 OE1 GLN A 119 12.255 -9.472 19.511 1.00 4.09 O ATOM 1758 NE2 GLN A 119 12.344 -7.293 19.207 1.00 2.68 N ATOM 0 H GLN A 119 11.287 -7.411 21.506 1.00 3.13 H new ATOM 0 HA GLN A 119 13.129 -8.549 23.375 1.00 3.25 H new ATOM 0 HB2 GLN A 119 13.327 -6.273 21.352 1.00 2.74 H new ATOM 0 HB3 GLN A 119 14.693 -6.921 22.238 1.00 2.74 H new ATOM 0 HG2 GLN A 119 14.827 -7.994 20.158 1.00 2.95 H new ATOM 0 HG3 GLN A 119 14.106 -9.203 21.201 1.00 2.95 H new ATOM 0 HE21 GLN A 119 12.791 -6.401 19.420 1.00 2.68 H new ATOM 0 HE22 GLN A 119 11.553 -7.326 18.564 1.00 2.68 H new TER 1767 GLN A 119