USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 742 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 65 ASN : amide:sc= -3.3! C(o=-3.3!,f=-4.5!) USER MOD Set 1.2: A 68 ASN : amide:sc=-0.00113 X(o=-3.3,f=-3.3) USER MOD Set 2.1: A 49 HIS : no HE2:sc= -0.348 K(o=0.86,f=-0.7) USER MOD Set 2.2: A 70 THR OG1 : rot 106:sc= 1.21 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0813 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 8 SER OG : rot -59:sc= -0.104 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.289 F(o=-1.1,f=-0.29) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 37 GLN : amide:sc= -0.531 X(o=-0.53,f=-0.66) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0471 X(o=-0.047,f=-0.055) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.92! USER MOD Single : A 73 ASN : amide:sc= 1.08 K(o=1.1,f=-9.7!) USER MOD Single : A 74 ASN : amide:sc= -0.0485 K(o=-0.049,f=-0.74) USER MOD Single : A 78 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5!) USER MOD Single : A 93 SER OG : rot 71:sc= 0.425 USER MOD Single : A 99 MET CE :methyl 174:sc= -0.43 (180deg=-0.708) USER MOD Single : A 100 HIS : no HE2:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.381 -12.238 -6.189 1.00 11.00 N ATOM 2 CA GLY A 1 1.519 -12.501 -5.058 1.00 43.05 C ATOM 3 C GLY A 1 0.154 -11.951 -5.295 1.00 63.32 C ATOM 4 O GLY A 1 -0.007 -10.981 -6.050 1.00 42.11 O ATOM 0 H1 GLY A 1 2.612 -13.133 -6.665 1.00 11.00 H new ATOM 0 H2 GLY A 1 1.894 -11.606 -6.857 1.00 11.00 H new ATOM 0 H3 GLY A 1 3.257 -11.785 -5.860 1.00 11.00 H new ATOM 0 HA2 GLY A 1 1.458 -13.575 -4.883 1.00 43.05 H new ATOM 0 HA3 GLY A 1 1.945 -12.055 -4.159 1.00 43.05 H new ATOM 10 N HIS A 2 -0.830 -12.568 -4.686 1.00 31.22 N ATOM 11 CA HIS A 2 -2.212 -12.153 -4.787 1.00 72.04 C ATOM 12 C HIS A 2 -2.996 -12.817 -3.681 1.00 33.40 C ATOM 13 O HIS A 2 -2.595 -13.895 -3.189 1.00 25.30 O ATOM 14 CB HIS A 2 -2.828 -12.482 -6.184 1.00 15.03 C ATOM 15 CG HIS A 2 -2.803 -13.941 -6.586 1.00 72.41 C ATOM 16 ND1 HIS A 2 -1.852 -14.489 -7.409 1.00 63.34 N ATOM 17 CD2 HIS A 2 -3.639 -14.955 -6.268 1.00 24.52 C ATOM 18 CE1 HIS A 2 -2.122 -15.776 -7.567 1.00 32.34 C ATOM 19 NE2 HIS A 2 -3.198 -16.118 -6.894 1.00 64.12 N ATOM 0 H HIS A 2 -0.692 -13.388 -4.095 1.00 31.22 H new ATOM 0 HA HIS A 2 -2.260 -11.069 -4.681 1.00 72.04 H new ATOM 0 HB2 HIS A 2 -3.863 -12.139 -6.194 1.00 15.03 H new ATOM 0 HB3 HIS A 2 -2.294 -11.907 -6.940 1.00 15.03 H new ATOM 0 HD2 HIS A 2 -4.508 -14.876 -5.632 1.00 24.52 H new ATOM 0 HE1 HIS A 2 -1.536 -16.454 -8.169 1.00 32.34 H new ATOM 0 HE2 HIS A 2 -3.622 -17.044 -6.841 1.00 64.12 H new ATOM 27 N GLY A 3 -4.051 -12.189 -3.272 1.00 21.14 N ATOM 28 CA GLY A 3 -4.884 -12.728 -2.251 1.00 51.13 C ATOM 29 C GLY A 3 -6.161 -11.959 -2.155 1.00 41.41 C ATOM 30 O GLY A 3 -6.170 -10.740 -2.344 1.00 21.35 O ATOM 0 H GLY A 3 -4.358 -11.288 -3.638 1.00 21.14 H new ATOM 0 HA2 GLY A 3 -5.099 -13.775 -2.464 1.00 51.13 H new ATOM 0 HA3 GLY A 3 -4.362 -12.698 -1.295 1.00 51.13 H new ATOM 34 N SER A 4 -7.227 -12.652 -1.910 1.00 11.32 N ATOM 35 CA SER A 4 -8.517 -12.047 -1.762 1.00 12.31 C ATOM 36 C SER A 4 -8.697 -11.591 -0.321 1.00 52.43 C ATOM 37 O SER A 4 -9.453 -10.657 -0.031 1.00 63.41 O ATOM 38 CB SER A 4 -9.585 -13.058 -2.149 1.00 72.23 C ATOM 39 OG SER A 4 -9.336 -13.574 -3.461 1.00 64.11 O ATOM 0 H SER A 4 -7.229 -13.667 -1.805 1.00 11.32 H new ATOM 0 HA SER A 4 -8.605 -11.177 -2.413 1.00 12.31 H new ATOM 0 HB2 SER A 4 -9.599 -13.875 -1.427 1.00 72.23 H new ATOM 0 HB3 SER A 4 -10.568 -12.588 -2.117 1.00 72.23 H new ATOM 0 HG SER A 4 -10.031 -14.224 -3.694 1.00 64.11 H new ATOM 45 N ALA A 5 -7.988 -12.244 0.566 1.00 73.13 N ATOM 46 CA ALA A 5 -8.004 -11.923 1.959 1.00 44.33 C ATOM 47 C ALA A 5 -6.605 -12.073 2.490 1.00 25.42 C ATOM 48 O ALA A 5 -5.838 -12.927 2.010 1.00 42.03 O ATOM 49 CB ALA A 5 -8.971 -12.827 2.716 1.00 60.45 C ATOM 0 H ALA A 5 -7.376 -13.025 0.330 1.00 73.13 H new ATOM 0 HA ALA A 5 -8.347 -10.898 2.099 1.00 44.33 H new ATOM 0 HB1 ALA A 5 -8.964 -12.562 3.773 1.00 60.45 H new ATOM 0 HB2 ALA A 5 -9.977 -12.699 2.316 1.00 60.45 H new ATOM 0 HB3 ALA A 5 -8.664 -13.866 2.600 1.00 60.45 H new ATOM 55 N GLY A 6 -6.260 -11.257 3.432 1.00 33.53 N ATOM 56 CA GLY A 6 -4.953 -11.298 3.994 1.00 1.13 C ATOM 57 C GLY A 6 -4.497 -9.936 4.404 1.00 42.13 C ATOM 58 O GLY A 6 -4.509 -9.603 5.580 1.00 45.42 O ATOM 0 H GLY A 6 -6.874 -10.547 3.831 1.00 33.53 H new ATOM 0 HA2 GLY A 6 -4.947 -11.962 4.859 1.00 1.13 H new ATOM 0 HA3 GLY A 6 -4.255 -11.714 3.268 1.00 1.13 H new ATOM 62 N THR A 7 -4.072 -9.150 3.458 1.00 52.12 N ATOM 63 CA THR A 7 -3.641 -7.809 3.739 1.00 74.45 C ATOM 64 C THR A 7 -3.942 -6.871 2.574 1.00 10.34 C ATOM 65 O THR A 7 -3.428 -7.057 1.461 1.00 31.45 O ATOM 66 CB THR A 7 -2.133 -7.761 4.106 1.00 72.13 C ATOM 67 OG1 THR A 7 -1.912 -8.555 5.294 1.00 13.12 O ATOM 68 CG2 THR A 7 -1.677 -6.329 4.365 1.00 51.20 C ATOM 0 H THR A 7 -4.014 -9.417 2.475 1.00 52.12 H new ATOM 0 HA THR A 7 -4.208 -7.465 4.604 1.00 74.45 H new ATOM 0 HB THR A 7 -1.558 -8.159 3.270 1.00 72.13 H new ATOM 0 HG1 THR A 7 -0.961 -8.531 5.531 1.00 13.12 H new ATOM 0 HG21 THR A 7 -0.617 -6.325 4.620 1.00 51.20 H new ATOM 0 HG22 THR A 7 -1.837 -5.729 3.469 1.00 51.20 H new ATOM 0 HG23 THR A 7 -2.250 -5.908 5.191 1.00 51.20 H new ATOM 76 N SER A 8 -4.789 -5.909 2.824 1.00 54.11 N ATOM 77 CA SER A 8 -5.067 -4.870 1.882 1.00 44.31 C ATOM 78 C SER A 8 -4.759 -3.539 2.557 1.00 63.43 C ATOM 79 O SER A 8 -5.133 -3.328 3.704 1.00 34.42 O ATOM 80 CB SER A 8 -6.531 -4.953 1.394 1.00 54.12 C ATOM 81 OG SER A 8 -7.474 -4.919 2.463 1.00 53.43 O ATOM 0 H SER A 8 -5.309 -5.828 3.698 1.00 54.11 H new ATOM 0 HA SER A 8 -4.444 -4.975 0.993 1.00 44.31 H new ATOM 0 HB2 SER A 8 -6.730 -4.125 0.714 1.00 54.12 H new ATOM 0 HB3 SER A 8 -6.668 -5.872 0.825 1.00 54.12 H new ATOM 0 HG SER A 8 -7.303 -5.666 3.074 1.00 53.43 H new ATOM 87 N VAL A 9 -4.057 -2.672 1.897 1.00 41.45 N ATOM 88 CA VAL A 9 -3.678 -1.430 2.504 1.00 34.41 C ATOM 89 C VAL A 9 -4.321 -0.248 1.785 1.00 33.12 C ATOM 90 O VAL A 9 -4.313 -0.138 0.553 1.00 53.33 O ATOM 91 CB VAL A 9 -2.128 -1.298 2.622 1.00 51.31 C ATOM 92 CG1 VAL A 9 -1.456 -1.487 1.292 1.00 2.12 C ATOM 93 CG2 VAL A 9 -1.718 0.020 3.250 1.00 22.42 C ATOM 0 H VAL A 9 -3.734 -2.799 0.938 1.00 41.45 H new ATOM 0 HA VAL A 9 -4.061 -1.421 3.524 1.00 34.41 H new ATOM 0 HB VAL A 9 -1.794 -2.096 3.285 1.00 51.31 H new ATOM 0 HG11 VAL A 9 -0.377 -1.388 1.412 1.00 2.12 H new ATOM 0 HG12 VAL A 9 -1.689 -2.479 0.904 1.00 2.12 H new ATOM 0 HG13 VAL A 9 -1.814 -0.731 0.593 1.00 2.12 H new ATOM 0 HG21 VAL A 9 -0.631 0.070 3.313 1.00 22.42 H new ATOM 0 HG22 VAL A 9 -2.085 0.844 2.638 1.00 22.42 H new ATOM 0 HG23 VAL A 9 -2.143 0.094 4.251 1.00 22.42 H new ATOM 103 N THR A 10 -4.926 0.584 2.553 1.00 35.20 N ATOM 104 CA THR A 10 -5.617 1.724 2.075 1.00 51.00 C ATOM 105 C THR A 10 -5.195 2.919 2.905 1.00 74.22 C ATOM 106 O THR A 10 -5.177 2.854 4.135 1.00 53.33 O ATOM 107 CB THR A 10 -7.138 1.472 2.188 1.00 62.11 C ATOM 108 OG1 THR A 10 -7.457 0.273 1.443 1.00 73.10 O ATOM 109 CG2 THR A 10 -7.939 2.635 1.633 1.00 65.05 C ATOM 0 H THR A 10 -4.954 0.485 3.568 1.00 35.20 H new ATOM 0 HA THR A 10 -5.380 1.919 1.029 1.00 51.00 H new ATOM 0 HB THR A 10 -7.398 1.361 3.241 1.00 62.11 H new ATOM 0 HG1 THR A 10 -8.419 0.096 1.504 1.00 73.10 H new ATOM 0 HG21 THR A 10 -9.004 2.422 1.729 1.00 65.05 H new ATOM 0 HG22 THR A 10 -7.698 3.541 2.189 1.00 65.05 H new ATOM 0 HG23 THR A 10 -7.691 2.778 0.581 1.00 65.05 H new ATOM 117 N LEU A 11 -4.798 3.970 2.255 1.00 0.03 N ATOM 118 CA LEU A 11 -4.401 5.143 2.959 1.00 73.42 C ATOM 119 C LEU A 11 -5.599 6.041 3.099 1.00 75.53 C ATOM 120 O LEU A 11 -6.501 6.019 2.242 1.00 63.44 O ATOM 121 CB LEU A 11 -3.170 5.832 2.296 1.00 30.45 C ATOM 122 CG LEU A 11 -3.279 6.343 0.841 1.00 54.33 C ATOM 123 CD1 LEU A 11 -4.043 7.658 0.753 1.00 74.45 C ATOM 124 CD2 LEU A 11 -1.897 6.489 0.226 1.00 23.04 C ATOM 0 H LEU A 11 -4.742 4.036 1.239 1.00 0.03 H new ATOM 0 HA LEU A 11 -4.055 4.882 3.959 1.00 73.42 H new ATOM 0 HB2 LEU A 11 -2.894 6.681 2.921 1.00 30.45 H new ATOM 0 HB3 LEU A 11 -2.340 5.126 2.334 1.00 30.45 H new ATOM 0 HG LEU A 11 -3.843 5.601 0.276 1.00 54.33 H new ATOM 0 HD11 LEU A 11 -4.095 7.980 -0.287 1.00 74.45 H new ATOM 0 HD12 LEU A 11 -5.052 7.519 1.141 1.00 74.45 H new ATOM 0 HD13 LEU A 11 -3.529 8.417 1.342 1.00 74.45 H new ATOM 0 HD21 LEU A 11 -1.991 6.850 -0.798 1.00 23.04 H new ATOM 0 HD22 LEU A 11 -1.313 7.201 0.809 1.00 23.04 H new ATOM 0 HD23 LEU A 11 -1.395 5.522 0.226 1.00 23.04 H new ATOM 136 N GLN A 12 -5.645 6.781 4.152 1.00 33.31 N ATOM 137 CA GLN A 12 -6.779 7.623 4.392 1.00 14.21 C ATOM 138 C GLN A 12 -6.332 9.043 4.630 1.00 23.00 C ATOM 139 O GLN A 12 -5.546 9.301 5.509 1.00 0.10 O ATOM 140 CB GLN A 12 -7.588 7.132 5.587 1.00 71.22 C ATOM 141 CG GLN A 12 -8.919 7.853 5.722 1.00 21.33 C ATOM 142 CD GLN A 12 -9.690 7.459 6.936 1.00 31.25 C ATOM 143 OE1 GLN A 12 -10.491 6.522 6.915 1.00 20.14 O ATOM 144 NE2 GLN A 12 -9.485 8.184 7.986 1.00 70.33 N ATOM 0 H GLN A 12 -4.915 6.825 4.863 1.00 33.31 H new ATOM 0 HA GLN A 12 -7.415 7.586 3.508 1.00 14.21 H new ATOM 0 HB2 GLN A 12 -7.767 6.061 5.486 1.00 71.22 H new ATOM 0 HB3 GLN A 12 -7.007 7.274 6.498 1.00 71.22 H new ATOM 0 HG2 GLN A 12 -8.740 8.928 5.749 1.00 21.33 H new ATOM 0 HG3 GLN A 12 -9.523 7.652 4.837 1.00 21.33 H new ATOM 0 HE21 GLN A 12 -8.811 8.949 7.954 1.00 70.33 H new ATOM 0 HE22 GLN A 12 -9.997 7.991 8.847 1.00 70.33 H new ATOM 153 N LEU A 13 -6.868 9.935 3.877 1.00 24.15 N ATOM 154 CA LEU A 13 -6.545 11.324 3.941 1.00 52.51 C ATOM 155 C LEU A 13 -7.339 11.952 5.034 1.00 12.32 C ATOM 156 O LEU A 13 -8.575 11.868 5.031 1.00 1.11 O ATOM 157 CB LEU A 13 -6.881 11.995 2.606 1.00 1.25 C ATOM 158 CG LEU A 13 -6.796 13.521 2.585 1.00 4.34 C ATOM 159 CD1 LEU A 13 -5.373 14.017 2.784 1.00 62.04 C ATOM 160 CD2 LEU A 13 -7.418 14.087 1.324 1.00 4.13 C ATOM 0 H LEU A 13 -7.571 9.714 3.171 1.00 24.15 H new ATOM 0 HA LEU A 13 -5.480 11.447 4.140 1.00 52.51 H new ATOM 0 HB2 LEU A 13 -6.207 11.603 1.845 1.00 1.25 H new ATOM 0 HB3 LEU A 13 -7.891 11.703 2.319 1.00 1.25 H new ATOM 0 HG LEU A 13 -7.375 13.889 3.432 1.00 4.34 H new ATOM 0 HD11 LEU A 13 -5.361 15.107 2.762 1.00 62.04 H new ATOM 0 HD12 LEU A 13 -4.998 13.670 3.747 1.00 62.04 H new ATOM 0 HD13 LEU A 13 -4.738 13.631 1.986 1.00 62.04 H new ATOM 0 HD21 LEU A 13 -7.343 15.174 1.338 1.00 4.13 H new ATOM 0 HD22 LEU A 13 -6.892 13.698 0.452 1.00 4.13 H new ATOM 0 HD23 LEU A 13 -8.467 13.797 1.274 1.00 4.13 H new ATOM 172 N ASP A 14 -6.673 12.592 5.948 1.00 30.02 N ATOM 173 CA ASP A 14 -7.358 13.219 7.006 1.00 30.42 C ATOM 174 C ASP A 14 -7.651 14.597 6.553 1.00 13.24 C ATOM 175 O ASP A 14 -6.781 15.480 6.567 1.00 14.14 O ATOM 176 CB ASP A 14 -6.508 13.240 8.276 1.00 11.32 C ATOM 177 CG ASP A 14 -7.215 13.904 9.430 1.00 50.25 C ATOM 178 OD1 ASP A 14 -8.078 13.266 10.047 1.00 22.15 O ATOM 179 OD2 ASP A 14 -6.912 15.083 9.753 1.00 72.14 O ATOM 0 H ASP A 14 -5.658 12.686 5.971 1.00 30.02 H new ATOM 0 HA ASP A 14 -8.272 12.678 7.251 1.00 30.42 H new ATOM 0 HB2 ASP A 14 -6.247 12.218 8.552 1.00 11.32 H new ATOM 0 HB3 ASP A 14 -5.574 13.764 8.076 1.00 11.32 H new ATOM 184 N ASP A 15 -8.840 14.776 6.098 1.00 41.14 N ATOM 185 CA ASP A 15 -9.263 16.041 5.618 1.00 3.00 C ATOM 186 C ASP A 15 -10.752 16.186 5.831 1.00 54.24 C ATOM 187 O ASP A 15 -11.559 15.906 4.937 1.00 72.25 O ATOM 188 CB ASP A 15 -8.882 16.246 4.134 1.00 72.43 C ATOM 189 CG ASP A 15 -9.272 17.608 3.590 1.00 52.12 C ATOM 190 OD1 ASP A 15 -8.680 18.621 4.007 1.00 54.24 O ATOM 191 OD2 ASP A 15 -10.159 17.684 2.713 1.00 61.32 O ATOM 0 H ASP A 15 -9.550 14.045 6.048 1.00 41.14 H new ATOM 0 HA ASP A 15 -8.747 16.819 6.181 1.00 3.00 H new ATOM 0 HB2 ASP A 15 -7.806 16.114 4.022 1.00 72.43 H new ATOM 0 HB3 ASP A 15 -9.362 15.473 3.534 1.00 72.43 H new ATOM 196 N GLY A 16 -11.117 16.466 7.050 1.00 43.50 N ATOM 197 CA GLY A 16 -12.503 16.680 7.403 1.00 53.41 C ATOM 198 C GLY A 16 -13.266 15.384 7.630 1.00 55.34 C ATOM 199 O GLY A 16 -13.692 15.087 8.749 1.00 13.04 O ATOM 0 H GLY A 16 -10.467 16.554 7.831 1.00 43.50 H new ATOM 0 HA2 GLY A 16 -12.552 17.287 8.307 1.00 53.41 H new ATOM 0 HA3 GLY A 16 -12.990 17.248 6.611 1.00 53.41 H new ATOM 203 N SER A 17 -13.421 14.618 6.589 1.00 70.31 N ATOM 204 CA SER A 17 -14.174 13.396 6.635 1.00 0.00 C ATOM 205 C SER A 17 -13.252 12.183 6.744 1.00 61.44 C ATOM 206 O SER A 17 -13.440 11.301 7.597 1.00 70.13 O ATOM 207 CB SER A 17 -15.016 13.320 5.372 1.00 25.15 C ATOM 208 OG SER A 17 -14.200 13.581 4.226 1.00 12.42 O ATOM 0 H SER A 17 -13.024 14.826 5.673 1.00 70.31 H new ATOM 0 HA SER A 17 -14.814 13.388 7.517 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.472 12.334 5.287 1.00 25.15 H new ATOM 0 HB3 SER A 17 -15.829 14.044 5.423 1.00 25.15 H new ATOM 0 HG SER A 17 -14.748 13.529 3.415 1.00 12.42 H new ATOM 214 N GLY A 18 -12.242 12.167 5.912 1.00 5.04 N ATOM 215 CA GLY A 18 -11.353 11.046 5.854 1.00 71.43 C ATOM 216 C GLY A 18 -11.596 10.248 4.598 1.00 54.31 C ATOM 217 O GLY A 18 -12.447 9.356 4.575 1.00 72.14 O ATOM 0 H GLY A 18 -12.018 12.923 5.265 1.00 5.04 H new ATOM 0 HA2 GLY A 18 -10.320 11.392 5.879 1.00 71.43 H new ATOM 0 HA3 GLY A 18 -11.498 10.413 6.729 1.00 71.43 H new ATOM 221 N ARG A 19 -10.881 10.579 3.550 1.00 10.24 N ATOM 222 CA ARG A 19 -11.049 9.901 2.266 1.00 22.50 C ATOM 223 C ARG A 19 -10.067 8.795 2.130 1.00 22.04 C ATOM 224 O ARG A 19 -9.049 8.816 2.769 1.00 43.23 O ATOM 225 CB ARG A 19 -10.885 10.840 1.106 1.00 3.11 C ATOM 226 CG ARG A 19 -11.958 11.900 1.026 1.00 53.52 C ATOM 227 CD ARG A 19 -11.834 12.732 -0.226 1.00 35.41 C ATOM 228 NE ARG A 19 -12.827 13.812 -0.256 1.00 2.01 N ATOM 229 CZ ARG A 19 -14.024 13.753 -0.856 1.00 61.33 C ATOM 230 NH1 ARG A 19 -14.445 12.617 -1.413 1.00 23.12 N ATOM 231 NH2 ARG A 19 -14.807 14.831 -0.880 1.00 52.21 N ATOM 0 H ARG A 19 -10.173 11.314 3.551 1.00 10.24 H new ATOM 0 HA ARG A 19 -12.065 9.506 2.250 1.00 22.50 H new ATOM 0 HB2 ARG A 19 -9.912 11.326 1.178 1.00 3.11 H new ATOM 0 HB3 ARG A 19 -10.886 10.264 0.181 1.00 3.11 H new ATOM 0 HG2 ARG A 19 -12.939 11.426 1.051 1.00 53.52 H new ATOM 0 HG3 ARG A 19 -11.894 12.548 1.900 1.00 53.52 H new ATOM 0 HD2 ARG A 19 -10.832 13.156 -0.284 1.00 35.41 H new ATOM 0 HD3 ARG A 19 -11.961 12.095 -1.101 1.00 35.41 H new ATOM 0 HE ARG A 19 -12.586 14.681 0.220 1.00 2.01 H new ATOM 0 HH11 ARG A 19 -13.855 11.786 -1.384 1.00 23.12 H new ATOM 0 HH12 ARG A 19 -15.357 12.579 -1.868 1.00 23.12 H new ATOM 0 HH21 ARG A 19 -14.495 15.698 -0.443 1.00 52.21 H new ATOM 0 HH22 ARG A 19 -15.718 14.789 -1.336 1.00 52.21 H new ATOM 245 N THR A 20 -10.343 7.852 1.293 1.00 5.50 N ATOM 246 CA THR A 20 -9.478 6.728 1.169 1.00 45.23 C ATOM 247 C THR A 20 -8.943 6.539 -0.243 1.00 41.41 C ATOM 248 O THR A 20 -9.576 6.931 -1.239 1.00 44.10 O ATOM 249 CB THR A 20 -10.186 5.460 1.646 1.00 0.33 C ATOM 250 OG1 THR A 20 -11.484 5.370 1.028 1.00 15.02 O ATOM 251 CG2 THR A 20 -10.336 5.469 3.156 1.00 33.10 C ATOM 0 H THR A 20 -11.161 7.837 0.684 1.00 5.50 H new ATOM 0 HA THR A 20 -8.614 6.925 1.804 1.00 45.23 H new ATOM 0 HB THR A 20 -9.586 4.596 1.362 1.00 0.33 H new ATOM 0 HG1 THR A 20 -11.936 4.556 1.333 1.00 15.02 H new ATOM 0 HG21 THR A 20 -10.842 4.559 3.477 1.00 33.10 H new ATOM 0 HG22 THR A 20 -9.351 5.519 3.619 1.00 33.10 H new ATOM 0 HG23 THR A 20 -10.923 6.336 3.458 1.00 33.10 H new ATOM 259 N TYR A 21 -7.761 6.012 -0.313 1.00 13.14 N ATOM 260 CA TYR A 21 -7.123 5.629 -1.553 1.00 42.32 C ATOM 261 C TYR A 21 -6.469 4.277 -1.336 1.00 73.05 C ATOM 262 O TYR A 21 -5.586 4.134 -0.474 1.00 21.14 O ATOM 263 CB TYR A 21 -6.084 6.681 -1.986 1.00 22.22 C ATOM 264 CG TYR A 21 -5.372 6.392 -3.306 1.00 31.21 C ATOM 265 CD1 TYR A 21 -6.015 6.589 -4.517 1.00 71.05 C ATOM 266 CD2 TYR A 21 -4.051 5.940 -3.334 1.00 33.50 C ATOM 267 CE1 TYR A 21 -5.380 6.346 -5.719 1.00 31.12 C ATOM 268 CE2 TYR A 21 -3.404 5.699 -4.539 1.00 53.53 C ATOM 269 CZ TYR A 21 -4.078 5.905 -5.728 1.00 63.32 C ATOM 270 OH TYR A 21 -3.441 5.675 -6.940 1.00 61.45 O ATOM 0 H TYR A 21 -7.188 5.827 0.511 1.00 13.14 H new ATOM 0 HA TYR A 21 -7.861 5.566 -2.353 1.00 42.32 H new ATOM 0 HB2 TYR A 21 -6.581 7.648 -2.065 1.00 22.22 H new ATOM 0 HB3 TYR A 21 -5.334 6.772 -1.200 1.00 22.22 H new ATOM 0 HD1 TYR A 21 -7.036 6.941 -4.521 1.00 71.05 H new ATOM 0 HD2 TYR A 21 -3.525 5.775 -2.405 1.00 33.50 H new ATOM 0 HE1 TYR A 21 -5.905 6.502 -6.650 1.00 31.12 H new ATOM 0 HE2 TYR A 21 -2.381 5.353 -4.547 1.00 53.53 H new ATOM 0 HH TYR A 21 -2.525 5.368 -6.775 1.00 61.45 H new ATOM 280 N GLN A 22 -6.920 3.294 -2.063 1.00 1.54 N ATOM 281 CA GLN A 22 -6.407 1.953 -1.925 1.00 24.14 C ATOM 282 C GLN A 22 -5.139 1.814 -2.745 1.00 71.33 C ATOM 283 O GLN A 22 -5.043 2.358 -3.849 1.00 25.43 O ATOM 284 CB GLN A 22 -7.472 0.929 -2.353 1.00 23.22 C ATOM 285 CG GLN A 22 -7.071 -0.536 -2.186 1.00 15.55 C ATOM 286 CD GLN A 22 -8.189 -1.491 -2.573 1.00 73.31 C ATOM 287 OE1 GLN A 22 -9.025 -1.184 -3.436 1.00 33.43 O ATOM 288 NE2 GLN A 22 -8.208 -2.654 -1.974 1.00 14.15 N ATOM 0 H GLN A 22 -7.651 3.395 -2.767 1.00 1.54 H new ATOM 0 HA GLN A 22 -6.165 1.756 -0.881 1.00 24.14 H new ATOM 0 HB2 GLN A 22 -8.379 1.109 -1.775 1.00 23.22 H new ATOM 0 HB3 GLN A 22 -7.721 1.104 -3.400 1.00 23.22 H new ATOM 0 HG2 GLN A 22 -6.193 -0.742 -2.798 1.00 15.55 H new ATOM 0 HG3 GLN A 22 -6.786 -0.716 -1.149 1.00 15.55 H new ATOM 0 HE21 GLN A 22 -7.506 -2.876 -1.268 1.00 14.15 H new ATOM 0 HE22 GLN A 22 -8.925 -3.339 -2.213 1.00 14.15 H new ATOM 297 N LEU A 23 -4.164 1.140 -2.198 1.00 72.22 N ATOM 298 CA LEU A 23 -2.916 0.940 -2.883 1.00 43.44 C ATOM 299 C LEU A 23 -3.015 -0.266 -3.785 1.00 10.42 C ATOM 300 O LEU A 23 -3.625 -1.280 -3.412 1.00 43.33 O ATOM 301 CB LEU A 23 -1.779 0.776 -1.879 1.00 73.33 C ATOM 302 CG LEU A 23 -1.452 2.011 -1.028 1.00 21.34 C ATOM 303 CD1 LEU A 23 -0.375 1.687 -0.014 1.00 11.54 C ATOM 304 CD2 LEU A 23 -1.010 3.175 -1.908 1.00 32.33 C ATOM 0 H LEU A 23 -4.211 0.717 -1.271 1.00 72.22 H new ATOM 0 HA LEU A 23 -2.701 1.816 -3.496 1.00 43.44 H new ATOM 0 HB2 LEU A 23 -2.028 -0.047 -1.209 1.00 73.33 H new ATOM 0 HB3 LEU A 23 -0.880 0.485 -2.422 1.00 73.33 H new ATOM 0 HG LEU A 23 -2.358 2.304 -0.497 1.00 21.34 H new ATOM 0 HD11 LEU A 23 -0.156 2.574 0.580 1.00 11.54 H new ATOM 0 HD12 LEU A 23 -0.721 0.888 0.641 1.00 11.54 H new ATOM 0 HD13 LEU A 23 0.528 1.366 -0.533 1.00 11.54 H new ATOM 0 HD21 LEU A 23 -0.784 4.039 -1.283 1.00 32.33 H new ATOM 0 HD22 LEU A 23 -0.120 2.890 -2.469 1.00 32.33 H new ATOM 0 HD23 LEU A 23 -1.810 3.430 -2.603 1.00 32.33 H new ATOM 316 N ARG A 24 -2.447 -0.161 -4.958 1.00 30.24 N ATOM 317 CA ARG A 24 -2.497 -1.240 -5.908 1.00 25.20 C ATOM 318 C ARG A 24 -1.198 -1.989 -5.915 1.00 1.42 C ATOM 319 O ARG A 24 -0.178 -1.497 -5.419 1.00 55.31 O ATOM 320 CB ARG A 24 -2.808 -0.750 -7.327 1.00 54.25 C ATOM 321 CG ARG A 24 -4.177 -0.126 -7.513 1.00 53.45 C ATOM 322 CD ARG A 24 -5.297 -1.052 -7.046 1.00 21.41 C ATOM 323 NE ARG A 24 -5.241 -2.400 -7.652 1.00 41.21 N ATOM 324 CZ ARG A 24 -6.281 -3.236 -7.727 1.00 55.01 C ATOM 325 NH1 ARG A 24 -7.499 -2.824 -7.395 1.00 70.24 N ATOM 326 NH2 ARG A 24 -6.099 -4.481 -8.128 1.00 14.24 N ATOM 0 H ARG A 24 -1.942 0.665 -5.279 1.00 30.24 H new ATOM 0 HA ARG A 24 -3.306 -1.901 -5.595 1.00 25.20 H new ATOM 0 HB2 ARG A 24 -2.052 -0.019 -7.615 1.00 54.25 H new ATOM 0 HB3 ARG A 24 -2.715 -1.592 -8.013 1.00 54.25 H new ATOM 0 HG2 ARG A 24 -4.227 0.811 -6.958 1.00 53.45 H new ATOM 0 HG3 ARG A 24 -4.324 0.118 -8.565 1.00 53.45 H new ATOM 0 HD2 ARG A 24 -5.249 -1.148 -5.961 1.00 21.41 H new ATOM 0 HD3 ARG A 24 -6.258 -0.595 -7.284 1.00 21.41 H new ATOM 0 HE ARG A 24 -4.350 -2.712 -8.038 1.00 41.21 H new ATOM 0 HH11 ARG A 24 -7.645 -1.865 -7.081 1.00 70.24 H new ATOM 0 HH12 ARG A 24 -8.289 -3.467 -7.454 1.00 70.24 H new ATOM 0 HH21 ARG A 24 -5.165 -4.804 -8.380 1.00 14.24 H new ATOM 0 HH22 ARG A 24 -6.892 -5.119 -8.185 1.00 14.24 H new ATOM 340 N GLU A 25 -1.233 -3.147 -6.502 1.00 70.04 N ATOM 341 CA GLU A 25 -0.099 -4.008 -6.609 1.00 33.30 C ATOM 342 C GLU A 25 0.924 -3.405 -7.574 1.00 4.24 C ATOM 343 O GLU A 25 0.664 -3.248 -8.782 1.00 24.44 O ATOM 344 CB GLU A 25 -0.524 -5.457 -7.007 1.00 15.22 C ATOM 345 CG GLU A 25 -1.381 -5.607 -8.292 1.00 75.44 C ATOM 346 CD GLU A 25 -2.782 -5.026 -8.173 1.00 32.15 C ATOM 347 OE1 GLU A 25 -3.693 -5.730 -7.733 1.00 32.11 O ATOM 348 OE2 GLU A 25 -2.977 -3.829 -8.478 1.00 30.12 O ATOM 0 H GLU A 25 -2.076 -3.528 -6.931 1.00 70.04 H new ATOM 0 HA GLU A 25 0.380 -4.091 -5.633 1.00 33.30 H new ATOM 0 HB2 GLU A 25 0.379 -6.054 -7.130 1.00 15.22 H new ATOM 0 HB3 GLU A 25 -1.081 -5.888 -6.175 1.00 15.22 H new ATOM 0 HG2 GLU A 25 -0.865 -5.119 -9.119 1.00 75.44 H new ATOM 0 HG3 GLU A 25 -1.458 -6.665 -8.544 1.00 75.44 H new ATOM 355 N GLY A 26 2.045 -3.033 -7.031 1.00 10.32 N ATOM 356 CA GLY A 26 3.073 -2.377 -7.779 1.00 60.31 C ATOM 357 C GLY A 26 3.528 -1.155 -7.024 1.00 50.31 C ATOM 358 O GLY A 26 3.101 -0.943 -5.875 1.00 14.12 O ATOM 0 H GLY A 26 2.273 -3.178 -6.047 1.00 10.32 H new ATOM 0 HA2 GLY A 26 3.912 -3.054 -7.939 1.00 60.31 H new ATOM 0 HA3 GLY A 26 2.700 -2.094 -8.763 1.00 60.31 H new ATOM 362 N SER A 27 4.385 -0.370 -7.601 1.00 12.53 N ATOM 363 CA SER A 27 4.822 0.815 -6.922 1.00 52.42 C ATOM 364 C SER A 27 4.209 2.051 -7.546 1.00 52.13 C ATOM 365 O SER A 27 3.973 2.090 -8.759 1.00 10.22 O ATOM 366 CB SER A 27 6.349 0.901 -6.890 1.00 3.40 C ATOM 367 OG SER A 27 6.913 0.879 -8.198 1.00 55.54 O ATOM 0 H SER A 27 4.791 -0.522 -8.524 1.00 12.53 H new ATOM 0 HA SER A 27 4.477 0.760 -5.889 1.00 52.42 H new ATOM 0 HB2 SER A 27 6.650 1.817 -6.381 1.00 3.40 H new ATOM 0 HB3 SER A 27 6.747 0.068 -6.310 1.00 3.40 H new ATOM 0 HG SER A 27 7.889 0.937 -8.134 1.00 55.54 H new ATOM 373 N ASN A 28 3.929 3.029 -6.739 1.00 71.43 N ATOM 374 CA ASN A 28 3.388 4.282 -7.210 1.00 3.44 C ATOM 375 C ASN A 28 4.294 5.412 -6.786 1.00 24.33 C ATOM 376 O ASN A 28 4.797 5.425 -5.665 1.00 62.31 O ATOM 377 CB ASN A 28 1.934 4.525 -6.721 1.00 14.12 C ATOM 378 CG ASN A 28 1.768 4.496 -5.203 1.00 4.14 C ATOM 379 OD1 ASN A 28 1.386 3.359 -4.675 1.00 71.30 O flip ATOM 380 ND2 ASN A 28 1.938 5.496 -4.525 1.00 44.13 N flip ATOM 0 H ASN A 28 4.068 2.987 -5.729 1.00 71.43 H new ATOM 0 HA ASN A 28 3.342 4.238 -8.298 1.00 3.44 H new ATOM 0 HB2 ASN A 28 1.595 5.492 -7.093 1.00 14.12 H new ATOM 0 HB3 ASN A 28 1.284 3.768 -7.160 1.00 14.12 H new ATOM 0 HD21 ASN A 28 2.236 6.366 -4.966 1.00 44.13 H new ATOM 0 HD22 ASN A 28 1.782 5.462 -3.518 1.00 44.13 H new ATOM 387 N ILE A 29 4.556 6.314 -7.701 1.00 14.13 N ATOM 388 CA ILE A 29 5.394 7.468 -7.429 1.00 74.20 C ATOM 389 C ILE A 29 4.488 8.659 -7.143 1.00 42.12 C ATOM 390 O ILE A 29 3.689 9.044 -8.000 1.00 53.34 O ATOM 391 CB ILE A 29 6.307 7.818 -8.645 1.00 40.03 C ATOM 392 CG1 ILE A 29 7.165 6.611 -9.084 1.00 50.53 C ATOM 393 CG2 ILE A 29 7.198 9.020 -8.331 1.00 61.11 C ATOM 394 CD1 ILE A 29 8.123 6.094 -8.033 1.00 40.35 C ATOM 0 H ILE A 29 4.197 6.273 -8.655 1.00 14.13 H new ATOM 0 HA ILE A 29 6.035 7.237 -6.578 1.00 74.20 H new ATOM 0 HB ILE A 29 5.651 8.078 -9.476 1.00 40.03 H new ATOM 0 HG12 ILE A 29 6.500 5.799 -9.379 1.00 50.53 H new ATOM 0 HG13 ILE A 29 7.736 6.893 -9.968 1.00 50.53 H new ATOM 0 HG21 ILE A 29 7.825 9.244 -9.194 1.00 61.11 H new ATOM 0 HG22 ILE A 29 6.575 9.884 -8.101 1.00 61.11 H new ATOM 0 HG23 ILE A 29 7.830 8.790 -7.474 1.00 61.11 H new ATOM 0 HD11 ILE A 29 8.680 5.247 -8.434 1.00 40.35 H new ATOM 0 HD12 ILE A 29 8.818 6.886 -7.753 1.00 40.35 H new ATOM 0 HD13 ILE A 29 7.562 5.776 -7.154 1.00 40.35 H new ATOM 406 N ILE A 30 4.605 9.211 -5.975 1.00 61.33 N ATOM 407 CA ILE A 30 3.796 10.326 -5.552 1.00 45.51 C ATOM 408 C ILE A 30 4.597 11.629 -5.655 1.00 12.33 C ATOM 409 O ILE A 30 5.734 11.731 -5.156 1.00 4.11 O ATOM 410 CB ILE A 30 3.280 10.135 -4.091 1.00 62.13 C ATOM 411 CG1 ILE A 30 2.478 8.824 -3.973 1.00 12.15 C ATOM 412 CG2 ILE A 30 2.452 11.337 -3.638 1.00 12.33 C ATOM 413 CD1 ILE A 30 1.929 8.545 -2.587 1.00 2.35 C ATOM 0 H ILE A 30 5.275 8.898 -5.272 1.00 61.33 H new ATOM 0 HA ILE A 30 2.931 10.379 -6.213 1.00 45.51 H new ATOM 0 HB ILE A 30 4.142 10.066 -3.428 1.00 62.13 H new ATOM 0 HG12 ILE A 30 1.648 8.856 -4.679 1.00 12.15 H new ATOM 0 HG13 ILE A 30 3.118 7.993 -4.270 1.00 12.15 H new ATOM 0 HG21 ILE A 30 2.106 11.176 -2.617 1.00 12.33 H new ATOM 0 HG22 ILE A 30 3.066 12.237 -3.676 1.00 12.33 H new ATOM 0 HG23 ILE A 30 1.593 11.456 -4.298 1.00 12.33 H new ATOM 0 HD11 ILE A 30 1.379 7.604 -2.596 1.00 2.35 H new ATOM 0 HD12 ILE A 30 2.753 8.477 -1.876 1.00 2.35 H new ATOM 0 HD13 ILE A 30 1.260 9.353 -2.291 1.00 2.35 H new ATOM 425 N GLY A 31 4.024 12.587 -6.322 1.00 1.13 N ATOM 426 CA GLY A 31 4.620 13.880 -6.470 1.00 43.42 C ATOM 427 C GLY A 31 3.984 14.588 -7.616 1.00 14.20 C ATOM 428 O GLY A 31 3.054 14.059 -8.206 1.00 75.11 O ATOM 0 H GLY A 31 3.119 12.491 -6.783 1.00 1.13 H new ATOM 0 HA2 GLY A 31 4.493 14.458 -5.555 1.00 43.42 H new ATOM 0 HA3 GLY A 31 5.692 13.781 -6.639 1.00 43.42 H new ATOM 432 N ARG A 32 4.422 15.770 -7.931 1.00 65.13 N ATOM 433 CA ARG A 32 3.873 16.437 -9.070 1.00 20.11 C ATOM 434 C ARG A 32 4.875 16.543 -10.177 1.00 3.31 C ATOM 435 O ARG A 32 5.832 17.317 -10.118 1.00 53.30 O ATOM 436 CB ARG A 32 3.223 17.790 -8.755 1.00 3.51 C ATOM 437 CG ARG A 32 1.961 17.664 -7.920 1.00 54.23 C ATOM 438 CD ARG A 32 1.004 18.840 -8.146 1.00 71.53 C ATOM 439 NE ARG A 32 1.477 20.121 -7.601 1.00 53.24 N ATOM 440 CZ ARG A 32 1.877 21.166 -8.343 1.00 44.14 C ATOM 441 NH1 ARG A 32 2.080 21.018 -9.648 1.00 22.12 N ATOM 442 NH2 ARG A 32 2.099 22.344 -7.772 1.00 2.21 N ATOM 0 H ARG A 32 5.144 16.284 -7.426 1.00 65.13 H new ATOM 0 HA ARG A 32 3.054 15.804 -9.412 1.00 20.11 H new ATOM 0 HB2 ARG A 32 3.941 18.417 -8.226 1.00 3.51 H new ATOM 0 HB3 ARG A 32 2.984 18.298 -9.689 1.00 3.51 H new ATOM 0 HG2 ARG A 32 1.454 16.731 -8.167 1.00 54.23 H new ATOM 0 HG3 ARG A 32 2.228 17.611 -6.865 1.00 54.23 H new ATOM 0 HD2 ARG A 32 0.835 18.955 -9.217 1.00 71.53 H new ATOM 0 HD3 ARG A 32 0.041 18.601 -7.695 1.00 71.53 H new ATOM 0 HE ARG A 32 1.503 20.223 -6.586 1.00 53.24 H new ATOM 0 HH11 ARG A 32 1.932 20.109 -10.087 1.00 22.12 H new ATOM 0 HH12 ARG A 32 2.384 21.813 -10.210 1.00 22.12 H new ATOM 0 HH21 ARG A 32 1.966 22.457 -6.767 1.00 2.21 H new ATOM 0 HH22 ARG A 32 2.403 23.136 -8.338 1.00 2.21 H new ATOM 456 N GLY A 33 4.648 15.747 -11.164 1.00 75.32 N ATOM 457 CA GLY A 33 5.443 15.701 -12.335 1.00 12.41 C ATOM 458 C GLY A 33 4.895 14.613 -13.197 1.00 74.11 C ATOM 459 O GLY A 33 4.012 13.881 -12.742 1.00 13.02 O ATOM 0 H GLY A 33 3.872 15.085 -11.175 1.00 75.32 H new ATOM 0 HA2 GLY A 33 5.414 16.657 -12.857 1.00 12.41 H new ATOM 0 HA3 GLY A 33 6.486 15.506 -12.085 1.00 12.41 H new ATOM 463 N GLN A 34 5.376 14.483 -14.403 1.00 23.44 N ATOM 464 CA GLN A 34 4.920 13.408 -15.278 1.00 42.31 C ATOM 465 C GLN A 34 5.740 12.165 -14.980 1.00 23.03 C ATOM 466 O GLN A 34 5.394 11.051 -15.352 1.00 34.20 O ATOM 467 CB GLN A 34 5.043 13.800 -16.748 1.00 22.51 C ATOM 468 CG GLN A 34 6.464 14.061 -17.202 1.00 42.44 C ATOM 469 CD GLN A 34 6.547 14.435 -18.652 1.00 14.23 C ATOM 470 OE1 GLN A 34 5.629 15.038 -19.205 1.00 34.31 O ATOM 471 NE2 GLN A 34 7.633 14.085 -19.281 1.00 72.33 N ATOM 0 H GLN A 34 6.080 15.098 -14.812 1.00 23.44 H new ATOM 0 HA GLN A 34 3.865 13.210 -15.089 1.00 42.31 H new ATOM 0 HB2 GLN A 34 4.617 13.006 -17.361 1.00 22.51 H new ATOM 0 HB3 GLN A 34 4.446 14.695 -16.925 1.00 22.51 H new ATOM 0 HG2 GLN A 34 6.893 14.861 -16.599 1.00 42.44 H new ATOM 0 HG3 GLN A 34 7.067 13.171 -17.025 1.00 42.44 H new ATOM 0 HE21 GLN A 34 8.371 13.586 -18.785 1.00 72.33 H new ATOM 0 HE22 GLN A 34 7.745 14.310 -20.269 1.00 72.33 H new ATOM 480 N ASP A 35 6.841 12.398 -14.297 1.00 43.03 N ATOM 481 CA ASP A 35 7.735 11.360 -13.813 1.00 25.31 C ATOM 482 C ASP A 35 7.116 10.694 -12.580 1.00 42.20 C ATOM 483 O ASP A 35 7.546 9.627 -12.128 1.00 30.41 O ATOM 484 CB ASP A 35 9.090 12.005 -13.495 1.00 23.11 C ATOM 485 CG ASP A 35 10.088 11.100 -12.825 1.00 70.50 C ATOM 486 OD1 ASP A 35 10.464 10.045 -13.383 1.00 54.12 O ATOM 487 OD2 ASP A 35 10.548 11.447 -11.736 1.00 42.21 O ATOM 0 H ASP A 35 7.150 13.340 -14.055 1.00 43.03 H new ATOM 0 HA ASP A 35 7.886 10.585 -14.565 1.00 25.31 H new ATOM 0 HB2 ASP A 35 9.525 12.375 -14.423 1.00 23.11 H new ATOM 0 HB3 ASP A 35 8.921 12.871 -12.855 1.00 23.11 H new ATOM 492 N ALA A 36 6.090 11.331 -12.068 1.00 72.02 N ATOM 493 CA ALA A 36 5.318 10.826 -10.970 1.00 12.43 C ATOM 494 C ALA A 36 4.069 10.164 -11.522 1.00 62.12 C ATOM 495 O ALA A 36 3.643 10.462 -12.636 1.00 21.04 O ATOM 496 CB ALA A 36 4.942 11.947 -10.025 1.00 4.30 C ATOM 0 H ALA A 36 5.766 12.234 -12.414 1.00 72.02 H new ATOM 0 HA ALA A 36 5.908 10.100 -10.411 1.00 12.43 H new ATOM 0 HB1 ALA A 36 4.357 11.545 -9.198 1.00 4.30 H new ATOM 0 HB2 ALA A 36 5.847 12.414 -9.636 1.00 4.30 H new ATOM 0 HB3 ALA A 36 4.351 12.691 -10.560 1.00 4.30 H new ATOM 502 N GLN A 37 3.487 9.288 -10.757 1.00 20.32 N ATOM 503 CA GLN A 37 2.330 8.543 -11.185 1.00 1.32 C ATOM 504 C GLN A 37 1.080 9.054 -10.482 1.00 41.25 C ATOM 505 O GLN A 37 0.011 9.166 -11.079 1.00 32.13 O ATOM 506 CB GLN A 37 2.568 7.073 -10.889 1.00 71.12 C ATOM 507 CG GLN A 37 3.746 6.498 -11.663 1.00 13.35 C ATOM 508 CD GLN A 37 4.122 5.099 -11.239 1.00 65.12 C ATOM 509 OE1 GLN A 37 3.292 4.316 -10.798 1.00 33.22 O ATOM 510 NE2 GLN A 37 5.381 4.781 -11.358 1.00 2.15 N ATOM 0 H GLN A 37 3.800 9.066 -9.812 1.00 20.32 H new ATOM 0 HA GLN A 37 2.174 8.673 -12.256 1.00 1.32 H new ATOM 0 HB2 GLN A 37 2.744 6.946 -9.821 1.00 71.12 H new ATOM 0 HB3 GLN A 37 1.668 6.508 -11.133 1.00 71.12 H new ATOM 0 HG2 GLN A 37 3.505 6.494 -12.726 1.00 13.35 H new ATOM 0 HG3 GLN A 37 4.609 7.152 -11.534 1.00 13.35 H new ATOM 0 HE21 GLN A 37 6.045 5.460 -11.730 1.00 2.15 H new ATOM 0 HE22 GLN A 37 5.701 3.854 -11.079 1.00 2.15 H new ATOM 519 N PHE A 38 1.226 9.376 -9.227 1.00 10.04 N ATOM 520 CA PHE A 38 0.154 9.913 -8.438 1.00 60.23 C ATOM 521 C PHE A 38 0.531 11.316 -8.038 1.00 55.13 C ATOM 522 O PHE A 38 1.510 11.530 -7.320 1.00 72.40 O ATOM 523 CB PHE A 38 -0.108 9.033 -7.205 1.00 30.34 C ATOM 524 CG PHE A 38 -1.165 9.562 -6.258 1.00 70.24 C ATOM 525 CD1 PHE A 38 -2.510 9.466 -6.560 1.00 61.12 C ATOM 526 CD2 PHE A 38 -0.801 10.143 -5.061 1.00 23.50 C ATOM 527 CE1 PHE A 38 -3.467 9.943 -5.683 1.00 23.13 C ATOM 528 CE2 PHE A 38 -1.737 10.616 -4.183 1.00 65.54 C ATOM 529 CZ PHE A 38 -3.078 10.519 -4.488 1.00 74.42 C ATOM 0 H PHE A 38 2.104 9.271 -8.718 1.00 10.04 H new ATOM 0 HA PHE A 38 -0.770 9.930 -9.017 1.00 60.23 H new ATOM 0 HB2 PHE A 38 -0.407 8.040 -7.542 1.00 30.34 H new ATOM 0 HB3 PHE A 38 0.826 8.916 -6.655 1.00 30.34 H new ATOM 0 HD1 PHE A 38 -2.817 9.013 -7.491 1.00 61.12 H new ATOM 0 HD2 PHE A 38 0.246 10.226 -4.812 1.00 23.50 H new ATOM 0 HE1 PHE A 38 -4.515 9.866 -5.931 1.00 23.13 H new ATOM 0 HE2 PHE A 38 -1.426 11.065 -3.251 1.00 65.54 H new ATOM 0 HZ PHE A 38 -3.820 10.891 -3.797 1.00 74.42 H new ATOM 539 N ARG A 39 -0.206 12.262 -8.520 1.00 21.14 N ATOM 540 CA ARG A 39 0.086 13.632 -8.245 1.00 54.20 C ATOM 541 C ARG A 39 -0.755 14.131 -7.098 1.00 1.13 C ATOM 542 O ARG A 39 -1.979 13.999 -7.117 1.00 74.23 O ATOM 543 CB ARG A 39 -0.125 14.508 -9.496 1.00 62.21 C ATOM 544 CG ARG A 39 0.825 14.197 -10.649 1.00 71.31 C ATOM 545 CD ARG A 39 0.627 15.159 -11.819 1.00 52.13 C ATOM 546 NE ARG A 39 -0.675 14.993 -12.486 1.00 12.04 N ATOM 547 CZ ARG A 39 -1.429 15.993 -12.993 1.00 71.12 C ATOM 548 NH1 ARG A 39 -1.099 17.269 -12.791 1.00 21.21 N ATOM 549 NH2 ARG A 39 -2.521 15.707 -13.683 1.00 30.20 N ATOM 0 H ARG A 39 -1.023 12.110 -9.112 1.00 21.14 H new ATOM 0 HA ARG A 39 1.136 13.703 -7.961 1.00 54.20 H new ATOM 0 HB2 ARG A 39 -1.151 14.384 -9.843 1.00 62.21 H new ATOM 0 HB3 ARG A 39 -0.007 15.555 -9.216 1.00 62.21 H new ATOM 0 HG2 ARG A 39 1.855 14.258 -10.298 1.00 71.31 H new ATOM 0 HG3 ARG A 39 0.663 13.174 -10.988 1.00 71.31 H new ATOM 0 HD2 ARG A 39 0.716 16.184 -11.459 1.00 52.13 H new ATOM 0 HD3 ARG A 39 1.424 15.006 -12.547 1.00 52.13 H new ATOM 0 HE ARG A 39 -1.038 14.044 -12.573 1.00 12.04 H new ATOM 0 HH11 ARG A 39 -0.268 17.501 -12.247 1.00 21.21 H new ATOM 0 HH12 ARG A 39 -1.678 18.013 -13.180 1.00 21.21 H new ATOM 0 HH21 ARG A 39 -2.791 14.734 -13.831 1.00 30.20 H new ATOM 0 HH22 ARG A 39 -3.093 16.459 -14.067 1.00 30.20 H new ATOM 563 N LEU A 40 -0.104 14.646 -6.078 1.00 0.40 N ATOM 564 CA LEU A 40 -0.818 15.280 -4.998 1.00 15.42 C ATOM 565 C LEU A 40 -1.363 16.579 -5.516 1.00 63.45 C ATOM 566 O LEU A 40 -0.634 17.331 -6.131 1.00 31.34 O ATOM 567 CB LEU A 40 0.082 15.571 -3.799 1.00 75.30 C ATOM 568 CG LEU A 40 0.578 14.384 -2.994 1.00 3.02 C ATOM 569 CD1 LEU A 40 1.444 14.883 -1.866 1.00 64.14 C ATOM 570 CD2 LEU A 40 -0.589 13.584 -2.431 1.00 44.41 C ATOM 0 H LEU A 40 0.911 14.637 -5.976 1.00 0.40 H new ATOM 0 HA LEU A 40 -1.606 14.607 -4.660 1.00 15.42 H new ATOM 0 HB2 LEU A 40 0.952 16.123 -4.156 1.00 75.30 H new ATOM 0 HB3 LEU A 40 -0.460 16.233 -3.124 1.00 75.30 H new ATOM 0 HG LEU A 40 1.155 13.730 -3.648 1.00 3.02 H new ATOM 0 HD11 LEU A 40 1.805 14.036 -1.282 1.00 64.14 H new ATOM 0 HD12 LEU A 40 2.293 15.431 -2.274 1.00 64.14 H new ATOM 0 HD13 LEU A 40 0.861 15.544 -1.225 1.00 64.14 H new ATOM 0 HD21 LEU A 40 -0.208 12.739 -1.858 1.00 44.41 H new ATOM 0 HD22 LEU A 40 -1.188 14.222 -1.781 1.00 44.41 H new ATOM 0 HD23 LEU A 40 -1.208 13.218 -3.250 1.00 44.41 H new ATOM 582 N PRO A 41 -2.603 16.895 -5.253 1.00 74.33 N ATOM 583 CA PRO A 41 -3.219 18.096 -5.785 1.00 1.41 C ATOM 584 C PRO A 41 -2.897 19.335 -4.937 1.00 71.15 C ATOM 585 O PRO A 41 -3.705 20.261 -4.837 1.00 14.23 O ATOM 586 CB PRO A 41 -4.714 17.769 -5.732 1.00 40.41 C ATOM 587 CG PRO A 41 -4.875 16.743 -4.649 1.00 23.31 C ATOM 588 CD PRO A 41 -3.517 16.130 -4.389 1.00 53.04 C ATOM 0 HA PRO A 41 -2.860 18.342 -6.785 1.00 1.41 H new ATOM 0 HB2 PRO A 41 -5.301 18.661 -5.514 1.00 40.41 H new ATOM 0 HB3 PRO A 41 -5.063 17.383 -6.690 1.00 40.41 H new ATOM 0 HG2 PRO A 41 -5.267 17.203 -3.742 1.00 23.31 H new ATOM 0 HG3 PRO A 41 -5.589 15.977 -4.951 1.00 23.31 H new ATOM 0 HD2 PRO A 41 -3.236 16.215 -3.339 1.00 53.04 H new ATOM 0 HD3 PRO A 41 -3.505 15.069 -4.638 1.00 53.04 H new ATOM 596 N ASP A 42 -1.698 19.383 -4.387 1.00 32.53 N ATOM 597 CA ASP A 42 -1.319 20.471 -3.503 1.00 41.04 C ATOM 598 C ASP A 42 -0.006 21.118 -3.980 1.00 41.34 C ATOM 599 O ASP A 42 0.568 20.721 -5.012 1.00 30.40 O ATOM 600 CB ASP A 42 -1.164 19.969 -2.064 1.00 1.23 C ATOM 601 CG ASP A 42 -1.482 21.041 -1.034 1.00 1.10 C ATOM 602 OD1 ASP A 42 -0.683 21.983 -0.845 1.00 2.11 O ATOM 603 OD2 ASP A 42 -2.547 20.964 -0.397 1.00 14.03 O ATOM 0 H ASP A 42 -0.971 18.683 -4.536 1.00 32.53 H new ATOM 0 HA ASP A 42 -2.110 21.221 -3.527 1.00 41.04 H new ATOM 0 HB2 ASP A 42 -1.822 19.114 -1.908 1.00 1.23 H new ATOM 0 HB3 ASP A 42 -0.143 19.617 -1.914 1.00 1.23 H new ATOM 608 N THR A 43 0.482 22.051 -3.211 1.00 65.50 N ATOM 609 CA THR A 43 1.622 22.847 -3.541 1.00 63.41 C ATOM 610 C THR A 43 2.811 22.484 -2.610 1.00 11.53 C ATOM 611 O THR A 43 2.611 22.087 -1.462 1.00 62.22 O ATOM 612 CB THR A 43 1.230 24.331 -3.354 1.00 34.41 C ATOM 613 OG1 THR A 43 0.000 24.584 -4.065 1.00 73.12 O ATOM 614 CG2 THR A 43 2.295 25.266 -3.874 1.00 74.33 C ATOM 0 H THR A 43 0.078 22.283 -2.304 1.00 65.50 H new ATOM 0 HA THR A 43 1.931 22.664 -4.570 1.00 63.41 H new ATOM 0 HB THR A 43 1.111 24.515 -2.286 1.00 34.41 H new ATOM 0 HG1 THR A 43 -0.257 25.523 -3.950 1.00 73.12 H new ATOM 0 HG21 THR A 43 1.979 26.298 -3.723 1.00 74.33 H new ATOM 0 HG22 THR A 43 3.227 25.090 -3.337 1.00 74.33 H new ATOM 0 HG23 THR A 43 2.449 25.086 -4.938 1.00 74.33 H new ATOM 622 N GLY A 44 4.025 22.597 -3.116 1.00 25.12 N ATOM 623 CA GLY A 44 5.206 22.307 -2.322 1.00 31.43 C ATOM 624 C GLY A 44 5.706 20.908 -2.560 1.00 1.21 C ATOM 625 O GLY A 44 6.707 20.486 -1.994 1.00 25.42 O ATOM 0 H GLY A 44 4.220 22.888 -4.074 1.00 25.12 H new ATOM 0 HA2 GLY A 44 5.993 23.021 -2.565 1.00 31.43 H new ATOM 0 HA3 GLY A 44 4.975 22.436 -1.265 1.00 31.43 H new ATOM 629 N VAL A 45 5.005 20.199 -3.404 1.00 13.25 N ATOM 630 CA VAL A 45 5.341 18.837 -3.717 1.00 4.40 C ATOM 631 C VAL A 45 6.231 18.821 -4.949 1.00 11.15 C ATOM 632 O VAL A 45 5.894 19.427 -5.976 1.00 64.52 O ATOM 633 CB VAL A 45 4.062 17.994 -3.988 1.00 71.43 C ATOM 634 CG1 VAL A 45 4.389 16.527 -4.129 1.00 31.34 C ATOM 635 CG2 VAL A 45 3.022 18.214 -2.905 1.00 31.41 C ATOM 0 H VAL A 45 4.183 20.551 -3.895 1.00 13.25 H new ATOM 0 HA VAL A 45 5.863 18.399 -2.866 1.00 4.40 H new ATOM 0 HB VAL A 45 3.641 18.333 -4.934 1.00 71.43 H new ATOM 0 HG11 VAL A 45 3.473 15.967 -4.318 1.00 31.34 H new ATOM 0 HG12 VAL A 45 5.079 16.386 -4.961 1.00 31.34 H new ATOM 0 HG13 VAL A 45 4.852 16.167 -3.210 1.00 31.34 H new ATOM 0 HG21 VAL A 45 2.139 17.612 -3.121 1.00 31.41 H new ATOM 0 HG22 VAL A 45 3.434 17.920 -1.940 1.00 31.41 H new ATOM 0 HG23 VAL A 45 2.745 19.268 -2.876 1.00 31.41 H new ATOM 645 N SER A 46 7.350 18.162 -4.841 1.00 32.30 N ATOM 646 CA SER A 46 8.292 18.053 -5.936 1.00 41.34 C ATOM 647 C SER A 46 7.816 16.981 -6.945 1.00 0.34 C ATOM 648 O SER A 46 6.774 16.360 -6.723 1.00 23.31 O ATOM 649 CB SER A 46 9.655 17.694 -5.363 1.00 21.04 C ATOM 650 OG SER A 46 10.068 18.661 -4.386 1.00 41.31 O ATOM 0 H SER A 46 7.642 17.681 -3.990 1.00 32.30 H new ATOM 0 HA SER A 46 8.361 19.001 -6.470 1.00 41.34 H new ATOM 0 HB2 SER A 46 9.614 16.705 -4.907 1.00 21.04 H new ATOM 0 HB3 SER A 46 10.391 17.645 -6.166 1.00 21.04 H new ATOM 0 HG SER A 46 10.946 18.411 -4.029 1.00 41.31 H new ATOM 656 N ARG A 47 8.556 16.790 -8.063 1.00 55.25 N ATOM 657 CA ARG A 47 8.206 15.742 -9.049 1.00 65.43 C ATOM 658 C ARG A 47 8.165 14.377 -8.397 1.00 2.03 C ATOM 659 O ARG A 47 7.198 13.654 -8.537 1.00 5.51 O ATOM 660 CB ARG A 47 9.098 15.762 -10.315 1.00 52.30 C ATOM 661 CG ARG A 47 10.548 16.078 -10.048 1.00 74.21 C ATOM 662 CD ARG A 47 11.441 15.822 -11.248 1.00 12.05 C ATOM 663 NE ARG A 47 11.678 14.383 -11.448 1.00 43.14 N ATOM 664 CZ ARG A 47 12.887 13.798 -11.446 1.00 22.53 C ATOM 665 NH1 ARG A 47 14.004 14.532 -11.400 1.00 51.02 N ATOM 666 NH2 ARG A 47 12.969 12.485 -11.518 1.00 2.54 N ATOM 0 H ARG A 47 9.383 17.337 -8.301 1.00 55.25 H new ATOM 0 HA ARG A 47 7.203 15.974 -9.406 1.00 65.43 H new ATOM 0 HB2 ARG A 47 9.034 14.791 -10.805 1.00 52.30 H new ATOM 0 HB3 ARG A 47 8.701 16.498 -11.014 1.00 52.30 H new ATOM 0 HG2 ARG A 47 10.638 17.123 -9.751 1.00 74.21 H new ATOM 0 HG3 ARG A 47 10.896 15.477 -9.208 1.00 74.21 H new ATOM 0 HD2 ARG A 47 10.981 16.243 -12.142 1.00 12.05 H new ATOM 0 HD3 ARG A 47 12.394 16.333 -11.109 1.00 12.05 H new ATOM 0 HE ARG A 47 10.865 13.787 -11.599 1.00 43.14 H new ATOM 0 HH11 ARG A 47 13.944 15.550 -11.366 1.00 51.02 H new ATOM 0 HH12 ARG A 47 14.915 14.074 -11.399 1.00 51.02 H new ATOM 0 HH21 ARG A 47 12.119 11.923 -11.575 1.00 2.54 H new ATOM 0 HH22 ARG A 47 13.882 12.030 -11.517 1.00 2.54 H new ATOM 680 N ARG A 48 9.200 14.036 -7.683 1.00 64.22 N ATOM 681 CA ARG A 48 9.171 12.864 -6.866 1.00 23.13 C ATOM 682 C ARG A 48 9.241 13.316 -5.456 1.00 23.23 C ATOM 683 O ARG A 48 10.186 13.989 -5.073 1.00 75.34 O ATOM 684 CB ARG A 48 10.295 11.877 -7.178 1.00 43.14 C ATOM 685 CG ARG A 48 10.170 11.230 -8.535 1.00 41.23 C ATOM 686 CD ARG A 48 11.162 10.093 -8.720 1.00 23.01 C ATOM 687 NE ARG A 48 11.019 9.505 -10.045 1.00 11.32 N ATOM 688 CZ ARG A 48 11.190 8.226 -10.384 1.00 33.24 C ATOM 689 NH1 ARG A 48 11.481 7.308 -9.459 1.00 14.44 N ATOM 690 NH2 ARG A 48 11.042 7.874 -11.662 1.00 74.43 N ATOM 0 H ARG A 48 10.076 14.558 -7.653 1.00 64.22 H new ATOM 0 HA ARG A 48 8.251 12.315 -7.067 1.00 23.13 H new ATOM 0 HB2 ARG A 48 11.251 12.397 -7.119 1.00 43.14 H new ATOM 0 HB3 ARG A 48 10.308 11.100 -6.414 1.00 43.14 H new ATOM 0 HG2 ARG A 48 9.156 10.851 -8.663 1.00 41.23 H new ATOM 0 HG3 ARG A 48 10.330 11.980 -9.310 1.00 41.23 H new ATOM 0 HD2 ARG A 48 12.178 10.464 -8.587 1.00 23.01 H new ATOM 0 HD3 ARG A 48 10.998 9.331 -7.958 1.00 23.01 H new ATOM 0 HE ARG A 48 10.759 10.142 -10.798 1.00 11.32 H new ATOM 0 HH11 ARG A 48 11.575 7.582 -8.481 1.00 14.44 H new ATOM 0 HH12 ARG A 48 11.609 6.333 -9.731 1.00 14.44 H new ATOM 0 HH21 ARG A 48 10.802 8.578 -12.360 1.00 74.43 H new ATOM 0 HH22 ARG A 48 11.169 6.901 -11.941 1.00 74.43 H new ATOM 704 N HIS A 49 8.203 13.082 -4.736 1.00 44.01 N ATOM 705 CA HIS A 49 8.161 13.448 -3.352 1.00 24.24 C ATOM 706 C HIS A 49 8.312 12.197 -2.502 1.00 72.22 C ATOM 707 O HIS A 49 9.065 12.163 -1.542 1.00 40.11 O ATOM 708 CB HIS A 49 6.851 14.229 -3.047 1.00 21.42 C ATOM 709 CG HIS A 49 6.679 14.691 -1.623 1.00 13.35 C ATOM 710 ND1 HIS A 49 6.820 16.013 -1.281 1.00 61.43 N ATOM 711 CD2 HIS A 49 6.349 13.982 -0.516 1.00 60.12 C ATOM 712 CE1 HIS A 49 6.575 16.074 0.016 1.00 65.52 C ATOM 713 NE2 HIS A 49 6.289 14.868 0.523 1.00 42.02 N ATOM 0 H HIS A 49 7.356 12.632 -5.082 1.00 44.01 H new ATOM 0 HA HIS A 49 8.987 14.116 -3.108 1.00 24.24 H new ATOM 0 HB2 HIS A 49 6.810 15.101 -3.699 1.00 21.42 H new ATOM 0 HB3 HIS A 49 6.003 13.595 -3.308 1.00 21.42 H new ATOM 0 HD1 HIS A 49 7.063 16.787 -1.899 1.00 61.43 H new ATOM 0 HD2 HIS A 49 6.168 12.919 -0.465 1.00 60.12 H new ATOM 0 HE1 HIS A 49 6.602 16.985 0.596 1.00 65.52 H new ATOM 721 N LEU A 50 7.624 11.154 -2.902 1.00 12.51 N ATOM 722 CA LEU A 50 7.586 9.930 -2.156 1.00 62.12 C ATOM 723 C LEU A 50 7.073 8.824 -3.066 1.00 74.32 C ATOM 724 O LEU A 50 6.507 9.110 -4.096 1.00 71.23 O ATOM 725 CB LEU A 50 6.684 10.179 -0.905 1.00 11.22 C ATOM 726 CG LEU A 50 6.332 9.021 0.031 1.00 1.21 C ATOM 727 CD1 LEU A 50 6.037 9.581 1.405 1.00 53.44 C ATOM 728 CD2 LEU A 50 5.087 8.302 -0.464 1.00 73.24 C ATOM 0 H LEU A 50 7.073 11.136 -3.760 1.00 12.51 H new ATOM 0 HA LEU A 50 8.568 9.614 -1.805 1.00 62.12 H new ATOM 0 HB2 LEU A 50 7.171 10.945 -0.302 1.00 11.22 H new ATOM 0 HB3 LEU A 50 5.746 10.603 -1.262 1.00 11.22 H new ATOM 0 HG LEU A 50 7.168 8.323 0.062 1.00 1.21 H new ATOM 0 HD11 LEU A 50 5.784 8.766 2.083 1.00 53.44 H new ATOM 0 HD12 LEU A 50 6.915 10.106 1.780 1.00 53.44 H new ATOM 0 HD13 LEU A 50 5.199 10.275 1.343 1.00 53.44 H new ATOM 0 HD21 LEU A 50 4.848 7.481 0.212 1.00 73.24 H new ATOM 0 HD22 LEU A 50 4.251 9.001 -0.495 1.00 73.24 H new ATOM 0 HD23 LEU A 50 5.268 7.908 -1.464 1.00 73.24 H new ATOM 740 N GLU A 51 7.334 7.599 -2.730 1.00 65.43 N ATOM 741 CA GLU A 51 6.835 6.471 -3.473 1.00 60.12 C ATOM 742 C GLU A 51 6.386 5.395 -2.515 1.00 42.20 C ATOM 743 O GLU A 51 6.893 5.297 -1.382 1.00 31.22 O ATOM 744 CB GLU A 51 7.885 5.899 -4.430 1.00 44.41 C ATOM 745 CG GLU A 51 9.166 5.448 -3.757 1.00 20.25 C ATOM 746 CD GLU A 51 10.105 4.745 -4.698 1.00 22.40 C ATOM 747 OE1 GLU A 51 10.633 5.376 -5.631 1.00 34.23 O ATOM 748 OE2 GLU A 51 10.329 3.539 -4.532 1.00 34.11 O ATOM 0 H GLU A 51 7.905 7.345 -1.924 1.00 65.43 H new ATOM 0 HA GLU A 51 5.995 6.818 -4.075 1.00 60.12 H new ATOM 0 HB2 GLU A 51 7.451 5.053 -4.962 1.00 44.41 H new ATOM 0 HB3 GLU A 51 8.128 6.655 -5.177 1.00 44.41 H new ATOM 0 HG2 GLU A 51 9.670 6.314 -3.329 1.00 20.25 H new ATOM 0 HG3 GLU A 51 8.921 4.781 -2.931 1.00 20.25 H new ATOM 755 N ILE A 52 5.434 4.626 -2.936 1.00 42.43 N ATOM 756 CA ILE A 52 4.952 3.524 -2.164 1.00 3.33 C ATOM 757 C ILE A 52 5.077 2.266 -2.992 1.00 52.12 C ATOM 758 O ILE A 52 4.538 2.184 -4.102 1.00 33.32 O ATOM 759 CB ILE A 52 3.477 3.711 -1.722 1.00 13.14 C ATOM 760 CG1 ILE A 52 3.323 4.985 -0.873 1.00 43.23 C ATOM 761 CG2 ILE A 52 3.009 2.488 -0.939 1.00 63.24 C ATOM 762 CD1 ILE A 52 1.898 5.284 -0.446 1.00 12.04 C ATOM 0 H ILE A 52 4.964 4.745 -3.833 1.00 42.43 H new ATOM 0 HA ILE A 52 5.552 3.457 -1.256 1.00 3.33 H new ATOM 0 HB ILE A 52 2.856 3.818 -2.612 1.00 13.14 H new ATOM 0 HG12 ILE A 52 3.944 4.891 0.018 1.00 43.23 H new ATOM 0 HG13 ILE A 52 3.705 5.834 -1.440 1.00 43.23 H new ATOM 0 HG21 ILE A 52 1.972 2.627 -0.632 1.00 63.24 H new ATOM 0 HG22 ILE A 52 3.085 1.602 -1.569 1.00 63.24 H new ATOM 0 HG23 ILE A 52 3.635 2.360 -0.056 1.00 63.24 H new ATOM 0 HD11 ILE A 52 1.880 6.198 0.148 1.00 12.04 H new ATOM 0 HD12 ILE A 52 1.273 5.413 -1.330 1.00 12.04 H new ATOM 0 HD13 ILE A 52 1.516 4.456 0.151 1.00 12.04 H new ATOM 774 N ARG A 53 5.808 1.310 -2.489 1.00 61.35 N ATOM 775 CA ARG A 53 5.971 0.059 -3.176 1.00 20.33 C ATOM 776 C ARG A 53 5.154 -0.996 -2.483 1.00 44.41 C ATOM 777 O ARG A 53 5.488 -1.427 -1.366 1.00 23.25 O ATOM 778 CB ARG A 53 7.436 -0.368 -3.248 1.00 1.43 C ATOM 779 CG ARG A 53 8.332 0.622 -3.948 1.00 73.15 C ATOM 780 CD ARG A 53 9.716 0.061 -4.148 1.00 13.20 C ATOM 781 NE ARG A 53 10.547 0.974 -4.908 1.00 44.22 N ATOM 782 CZ ARG A 53 11.476 0.626 -5.782 1.00 3.22 C ATOM 783 NH1 ARG A 53 11.745 -0.653 -5.997 1.00 61.03 N ATOM 784 NH2 ARG A 53 12.144 1.565 -6.433 1.00 3.41 N ATOM 0 H ARG A 53 6.303 1.374 -1.600 1.00 61.35 H new ATOM 0 HA ARG A 53 5.624 0.186 -4.201 1.00 20.33 H new ATOM 0 HB2 ARG A 53 7.808 -0.525 -2.235 1.00 1.43 H new ATOM 0 HB3 ARG A 53 7.499 -1.326 -3.763 1.00 1.43 H new ATOM 0 HG2 ARG A 53 7.901 0.886 -4.914 1.00 73.15 H new ATOM 0 HG3 ARG A 53 8.390 1.540 -3.363 1.00 73.15 H new ATOM 0 HD2 ARG A 53 10.176 -0.133 -3.179 1.00 13.20 H new ATOM 0 HD3 ARG A 53 9.652 -0.895 -4.668 1.00 13.20 H new ATOM 0 HE ARG A 53 10.402 1.972 -4.755 1.00 44.22 H new ATOM 0 HH11 ARG A 53 11.235 -1.374 -5.487 1.00 61.03 H new ATOM 0 HH12 ARG A 53 12.463 -0.917 -6.672 1.00 61.03 H new ATOM 0 HH21 ARG A 53 11.941 2.549 -6.259 1.00 3.41 H new ATOM 0 HH22 ARG A 53 12.862 1.304 -7.109 1.00 3.41 H new ATOM 798 N TRP A 54 4.092 -1.394 -3.109 1.00 72.13 N ATOM 799 CA TRP A 54 3.212 -2.365 -2.544 1.00 1.41 C ATOM 800 C TRP A 54 3.328 -3.690 -3.286 1.00 64.23 C ATOM 801 O TRP A 54 3.370 -3.731 -4.524 1.00 22.52 O ATOM 802 CB TRP A 54 1.759 -1.826 -2.525 1.00 71.14 C ATOM 803 CG TRP A 54 0.702 -2.813 -2.069 1.00 20.40 C ATOM 804 CD1 TRP A 54 -0.385 -3.225 -2.778 1.00 54.43 C ATOM 805 CD2 TRP A 54 0.642 -3.520 -0.821 1.00 44.44 C ATOM 806 NE1 TRP A 54 -1.116 -4.125 -2.050 1.00 45.03 N ATOM 807 CE2 TRP A 54 -0.509 -4.328 -0.851 1.00 15.13 C ATOM 808 CE3 TRP A 54 1.443 -3.550 0.312 1.00 75.44 C ATOM 809 CZ2 TRP A 54 -0.873 -5.151 0.213 1.00 61.23 C ATOM 810 CZ3 TRP A 54 1.084 -4.367 1.365 1.00 64.12 C ATOM 811 CH2 TRP A 54 -0.061 -5.156 1.307 1.00 50.50 C ATOM 0 H TRP A 54 3.811 -1.054 -4.028 1.00 72.13 H new ATOM 0 HA TRP A 54 3.502 -2.553 -1.510 1.00 1.41 H new ATOM 0 HB2 TRP A 54 1.722 -0.954 -1.872 1.00 71.14 H new ATOM 0 HB3 TRP A 54 1.504 -1.485 -3.528 1.00 71.14 H new ATOM 0 HD1 TRP A 54 -0.635 -2.889 -3.774 1.00 54.43 H new ATOM 0 HE1 TRP A 54 -1.979 -4.572 -2.359 1.00 45.03 H new ATOM 0 HE3 TRP A 54 2.334 -2.943 0.369 1.00 75.44 H new ATOM 0 HZ2 TRP A 54 -1.763 -5.761 0.172 1.00 61.23 H new ATOM 0 HZ3 TRP A 54 1.703 -4.394 2.250 1.00 64.12 H new ATOM 0 HH2 TRP A 54 -0.311 -5.786 2.148 1.00 50.50 H new ATOM 822 N ASP A 55 3.420 -4.743 -2.525 1.00 4.50 N ATOM 823 CA ASP A 55 3.467 -6.099 -3.030 1.00 44.24 C ATOM 824 C ASP A 55 2.624 -6.897 -2.051 1.00 35.14 C ATOM 825 O ASP A 55 2.163 -6.326 -1.075 1.00 14.13 O ATOM 826 CB ASP A 55 4.920 -6.631 -3.070 1.00 64.44 C ATOM 827 CG ASP A 55 5.080 -7.875 -3.938 1.00 14.22 C ATOM 828 OD1 ASP A 55 4.737 -8.994 -3.500 1.00 65.55 O ATOM 829 OD2 ASP A 55 5.536 -7.752 -5.093 1.00 42.03 O ATOM 0 H ASP A 55 3.466 -4.688 -1.508 1.00 4.50 H new ATOM 0 HA ASP A 55 3.096 -6.170 -4.052 1.00 44.24 H new ATOM 0 HB2 ASP A 55 5.577 -5.847 -3.446 1.00 64.44 H new ATOM 0 HB3 ASP A 55 5.245 -6.860 -2.055 1.00 64.44 H new ATOM 834 N GLY A 56 2.470 -8.176 -2.234 1.00 2.54 N ATOM 835 CA GLY A 56 1.575 -8.946 -1.375 1.00 24.33 C ATOM 836 C GLY A 56 2.203 -9.368 -0.049 1.00 2.13 C ATOM 837 O GLY A 56 2.012 -10.503 0.414 1.00 25.50 O ATOM 0 H GLY A 56 2.941 -8.717 -2.959 1.00 2.54 H new ATOM 0 HA2 GLY A 56 0.683 -8.353 -1.171 1.00 24.33 H new ATOM 0 HA3 GLY A 56 1.249 -9.837 -1.912 1.00 24.33 H new ATOM 841 N GLN A 57 2.920 -8.464 0.566 1.00 31.03 N ATOM 842 CA GLN A 57 3.570 -8.722 1.818 1.00 43.44 C ATOM 843 C GLN A 57 3.491 -7.490 2.717 1.00 52.14 C ATOM 844 O GLN A 57 2.661 -7.444 3.623 1.00 62.33 O ATOM 845 CB GLN A 57 5.028 -9.191 1.608 1.00 21.13 C ATOM 846 CG GLN A 57 5.800 -9.452 2.897 1.00 22.01 C ATOM 847 CD GLN A 57 5.154 -10.509 3.765 1.00 64.23 C ATOM 848 OE1 GLN A 57 4.303 -10.214 4.599 1.00 71.14 O ATOM 849 NE2 GLN A 57 5.558 -11.730 3.594 1.00 35.11 N ATOM 0 H GLN A 57 3.069 -7.521 0.206 1.00 31.03 H new ATOM 0 HA GLN A 57 3.047 -9.537 2.319 1.00 43.44 H new ATOM 0 HB2 GLN A 57 5.020 -10.104 1.013 1.00 21.13 H new ATOM 0 HB3 GLN A 57 5.559 -8.436 1.028 1.00 21.13 H new ATOM 0 HG2 GLN A 57 6.815 -9.762 2.650 1.00 22.01 H new ATOM 0 HG3 GLN A 57 5.879 -8.523 3.462 1.00 22.01 H new ATOM 0 HE21 GLN A 57 6.267 -11.939 2.891 1.00 35.11 H new ATOM 0 HE22 GLN A 57 5.166 -12.481 4.162 1.00 35.11 H new ATOM 858 N VAL A 58 4.316 -6.490 2.443 1.00 23.40 N ATOM 859 CA VAL A 58 4.351 -5.269 3.248 1.00 31.34 C ATOM 860 C VAL A 58 4.368 -4.041 2.354 1.00 35.35 C ATOM 861 O VAL A 58 4.738 -4.122 1.176 1.00 60.11 O ATOM 862 CB VAL A 58 5.573 -5.217 4.229 1.00 60.15 C ATOM 863 CG1 VAL A 58 5.452 -6.267 5.325 1.00 32.02 C ATOM 864 CG2 VAL A 58 6.896 -5.385 3.481 1.00 63.25 C ATOM 0 H VAL A 58 4.976 -6.497 1.665 1.00 23.40 H new ATOM 0 HA VAL A 58 3.445 -5.277 3.854 1.00 31.34 H new ATOM 0 HB VAL A 58 5.565 -4.232 4.696 1.00 60.15 H new ATOM 0 HG11 VAL A 58 6.316 -6.203 5.987 1.00 32.02 H new ATOM 0 HG12 VAL A 58 4.542 -6.092 5.898 1.00 32.02 H new ATOM 0 HG13 VAL A 58 5.412 -7.259 4.876 1.00 32.02 H new ATOM 0 HG21 VAL A 58 7.723 -5.344 4.190 1.00 63.25 H new ATOM 0 HG22 VAL A 58 6.905 -6.347 2.969 1.00 63.25 H new ATOM 0 HG23 VAL A 58 7.005 -4.584 2.750 1.00 63.25 H new ATOM 874 N ALA A 59 3.963 -2.924 2.890 1.00 64.01 N ATOM 875 CA ALA A 59 3.926 -1.696 2.141 1.00 53.44 C ATOM 876 C ALA A 59 5.154 -0.863 2.438 1.00 71.51 C ATOM 877 O ALA A 59 5.343 -0.369 3.557 1.00 23.55 O ATOM 878 CB ALA A 59 2.653 -0.927 2.433 1.00 24.43 C ATOM 0 H ALA A 59 3.649 -2.837 3.857 1.00 64.01 H new ATOM 0 HA ALA A 59 3.929 -1.935 1.078 1.00 53.44 H new ATOM 0 HB1 ALA A 59 2.646 -0.002 1.856 1.00 24.43 H new ATOM 0 HB2 ALA A 59 1.790 -1.533 2.157 1.00 24.43 H new ATOM 0 HB3 ALA A 59 2.606 -0.692 3.496 1.00 24.43 H new ATOM 884 N LEU A 60 5.984 -0.725 1.447 1.00 54.23 N ATOM 885 CA LEU A 60 7.217 -0.003 1.568 1.00 61.13 C ATOM 886 C LEU A 60 6.962 1.461 1.241 1.00 1.23 C ATOM 887 O LEU A 60 6.423 1.788 0.180 1.00 23.51 O ATOM 888 CB LEU A 60 8.265 -0.659 0.630 1.00 42.05 C ATOM 889 CG LEU A 60 9.728 -0.147 0.629 1.00 3.42 C ATOM 890 CD1 LEU A 60 10.595 -1.141 -0.117 1.00 33.34 C ATOM 891 CD2 LEU A 60 9.858 1.207 -0.056 1.00 24.34 C ATOM 0 H LEU A 60 5.822 -1.116 0.519 1.00 54.23 H new ATOM 0 HA LEU A 60 7.613 -0.043 2.583 1.00 61.13 H new ATOM 0 HB2 LEU A 60 8.293 -1.722 0.868 1.00 42.05 H new ATOM 0 HB3 LEU A 60 7.889 -0.570 -0.389 1.00 42.05 H new ATOM 0 HG LEU A 60 10.044 -0.040 1.667 1.00 3.42 H new ATOM 0 HD11 LEU A 60 11.627 -0.790 -0.124 1.00 33.34 H new ATOM 0 HD12 LEU A 60 10.545 -2.111 0.378 1.00 33.34 H new ATOM 0 HD13 LEU A 60 10.238 -1.238 -1.142 1.00 33.34 H new ATOM 0 HD21 LEU A 60 10.900 1.528 -0.034 1.00 24.34 H new ATOM 0 HD22 LEU A 60 9.526 1.125 -1.091 1.00 24.34 H new ATOM 0 HD23 LEU A 60 9.242 1.939 0.466 1.00 24.34 H new ATOM 903 N LEU A 61 7.322 2.302 2.153 1.00 31.13 N ATOM 904 CA LEU A 61 7.159 3.723 2.046 1.00 74.25 C ATOM 905 C LEU A 61 8.547 4.328 1.877 1.00 62.52 C ATOM 906 O LEU A 61 9.430 4.086 2.704 1.00 4.33 O ATOM 907 CB LEU A 61 6.472 4.208 3.359 1.00 21.34 C ATOM 908 CG LEU A 61 6.053 5.696 3.533 1.00 12.03 C ATOM 909 CD1 LEU A 61 7.231 6.664 3.599 1.00 12.43 C ATOM 910 CD2 LEU A 61 5.072 6.096 2.450 1.00 32.23 C ATOM 0 H LEU A 61 7.755 2.012 3.030 1.00 31.13 H new ATOM 0 HA LEU A 61 6.544 4.021 1.197 1.00 74.25 H new ATOM 0 HB2 LEU A 61 5.574 3.604 3.493 1.00 21.34 H new ATOM 0 HB3 LEU A 61 7.145 3.966 4.182 1.00 21.34 H new ATOM 0 HG LEU A 61 5.565 5.768 4.505 1.00 12.03 H new ATOM 0 HD11 LEU A 61 6.859 7.681 3.721 1.00 12.43 H new ATOM 0 HD12 LEU A 61 7.867 6.406 4.446 1.00 12.43 H new ATOM 0 HD13 LEU A 61 7.809 6.597 2.677 1.00 12.43 H new ATOM 0 HD21 LEU A 61 4.787 7.140 2.584 1.00 32.23 H new ATOM 0 HD22 LEU A 61 5.538 5.970 1.473 1.00 32.23 H new ATOM 0 HD23 LEU A 61 4.184 5.467 2.513 1.00 32.23 H new ATOM 922 N ALA A 62 8.754 5.073 0.819 1.00 25.13 N ATOM 923 CA ALA A 62 10.032 5.703 0.595 1.00 24.11 C ATOM 924 C ALA A 62 9.860 7.166 0.222 1.00 12.21 C ATOM 925 O ALA A 62 9.147 7.500 -0.705 1.00 52.51 O ATOM 926 CB ALA A 62 10.822 4.961 -0.471 1.00 15.14 C ATOM 0 H ALA A 62 8.055 5.258 0.100 1.00 25.13 H new ATOM 0 HA ALA A 62 10.596 5.658 1.526 1.00 24.11 H new ATOM 0 HB1 ALA A 62 11.782 5.455 -0.622 1.00 15.14 H new ATOM 0 HB2 ALA A 62 10.990 3.933 -0.150 1.00 15.14 H new ATOM 0 HB3 ALA A 62 10.262 4.963 -1.406 1.00 15.14 H new ATOM 932 N ASP A 63 10.500 8.018 0.965 1.00 2.15 N ATOM 933 CA ASP A 63 10.480 9.461 0.738 1.00 61.31 C ATOM 934 C ASP A 63 11.618 9.813 -0.209 1.00 52.02 C ATOM 935 O ASP A 63 12.808 9.634 0.127 1.00 73.15 O ATOM 936 CB ASP A 63 10.617 10.191 2.094 1.00 61.32 C ATOM 937 CG ASP A 63 10.822 11.704 2.017 1.00 24.33 C ATOM 938 OD1 ASP A 63 9.833 12.462 1.850 1.00 53.01 O ATOM 939 OD2 ASP A 63 11.971 12.150 2.217 1.00 20.01 O ATOM 0 H ASP A 63 11.067 7.740 1.766 1.00 2.15 H new ATOM 0 HA ASP A 63 9.540 9.775 0.285 1.00 61.31 H new ATOM 0 HB2 ASP A 63 9.721 9.994 2.683 1.00 61.32 H new ATOM 0 HB3 ASP A 63 11.457 9.757 2.636 1.00 61.32 H new ATOM 944 N LEU A 64 11.273 10.239 -1.404 1.00 15.13 N ATOM 945 CA LEU A 64 12.266 10.576 -2.413 1.00 65.30 C ATOM 946 C LEU A 64 12.350 12.065 -2.405 1.00 11.05 C ATOM 947 O LEU A 64 11.859 12.724 -3.313 1.00 42.15 O ATOM 948 CB LEU A 64 11.767 10.150 -3.807 1.00 62.14 C ATOM 949 CG LEU A 64 11.171 8.755 -3.952 1.00 23.13 C ATOM 950 CD1 LEU A 64 10.710 8.537 -5.376 1.00 73.14 C ATOM 951 CD2 LEU A 64 12.160 7.687 -3.541 1.00 34.24 C ATOM 0 H LEU A 64 10.307 10.362 -1.707 1.00 15.13 H new ATOM 0 HA LEU A 64 13.217 10.085 -2.207 1.00 65.30 H new ATOM 0 HB2 LEU A 64 11.015 10.871 -4.128 1.00 62.14 H new ATOM 0 HB3 LEU A 64 12.603 10.231 -4.501 1.00 62.14 H new ATOM 0 HG LEU A 64 10.312 8.679 -3.285 1.00 23.13 H new ATOM 0 HD11 LEU A 64 10.285 7.538 -5.472 1.00 73.14 H new ATOM 0 HD12 LEU A 64 9.953 9.279 -5.631 1.00 73.14 H new ATOM 0 HD13 LEU A 64 11.559 8.637 -6.053 1.00 73.14 H new ATOM 0 HD21 LEU A 64 11.703 6.704 -3.656 1.00 34.24 H new ATOM 0 HD22 LEU A 64 13.047 7.751 -4.171 1.00 34.24 H new ATOM 0 HD23 LEU A 64 12.443 7.835 -2.499 1.00 34.24 H new ATOM 963 N ASN A 65 13.005 12.599 -1.425 1.00 24.15 N ATOM 964 CA ASN A 65 12.880 14.001 -1.163 1.00 3.03 C ATOM 965 C ASN A 65 13.843 14.402 -0.085 1.00 71.13 C ATOM 966 O ASN A 65 14.090 13.656 0.844 1.00 70.15 O ATOM 967 CB ASN A 65 11.420 14.195 -0.740 1.00 64.25 C ATOM 968 CG ASN A 65 10.993 15.509 -0.204 1.00 30.13 C ATOM 969 OD1 ASN A 65 11.548 16.593 -0.498 1.00 1.54 O ATOM 970 ND2 ASN A 65 9.967 15.424 0.575 1.00 52.42 N ATOM 0 H ASN A 65 13.628 12.093 -0.796 1.00 24.15 H new ATOM 0 HA ASN A 65 13.118 14.623 -2.026 1.00 3.03 H new ATOM 0 HB2 ASN A 65 10.795 13.975 -1.606 1.00 64.25 H new ATOM 0 HB3 ASN A 65 11.194 13.443 0.016 1.00 64.25 H new ATOM 0 HD21 ASN A 65 9.567 16.268 0.986 1.00 52.42 H new ATOM 0 HD22 ASN A 65 9.556 14.513 0.779 1.00 52.42 H new ATOM 977 N SER A 66 14.442 15.527 -0.252 1.00 63.23 N ATOM 978 CA SER A 66 15.393 16.020 0.691 1.00 11.10 C ATOM 979 C SER A 66 14.803 17.209 1.458 1.00 50.34 C ATOM 980 O SER A 66 14.718 17.199 2.695 1.00 41.40 O ATOM 981 CB SER A 66 16.655 16.444 -0.067 1.00 10.32 C ATOM 982 OG SER A 66 17.068 15.411 -0.975 1.00 61.10 O ATOM 0 H SER A 66 14.287 16.140 -1.053 1.00 63.23 H new ATOM 0 HA SER A 66 15.643 15.242 1.412 1.00 11.10 H new ATOM 0 HB2 SER A 66 16.463 17.365 -0.618 1.00 10.32 H new ATOM 0 HB3 SER A 66 17.457 16.657 0.640 1.00 10.32 H new ATOM 0 HG SER A 66 17.874 15.698 -1.452 1.00 61.10 H new ATOM 988 N THR A 67 14.328 18.184 0.707 1.00 0.23 N ATOM 989 CA THR A 67 13.862 19.446 1.236 1.00 34.11 C ATOM 990 C THR A 67 12.598 19.305 2.110 1.00 24.43 C ATOM 991 O THR A 67 12.560 19.774 3.240 1.00 2.30 O ATOM 992 CB THR A 67 13.552 20.379 0.057 1.00 34.13 C ATOM 993 OG1 THR A 67 14.586 20.225 -0.938 1.00 11.14 O ATOM 994 CG2 THR A 67 13.506 21.829 0.516 1.00 23.05 C ATOM 0 H THR A 67 14.255 18.117 -0.308 1.00 0.23 H new ATOM 0 HA THR A 67 14.649 19.847 1.875 1.00 34.11 H new ATOM 0 HB THR A 67 12.579 20.118 -0.359 1.00 34.13 H new ATOM 0 HG1 THR A 67 14.399 20.815 -1.698 1.00 11.14 H new ATOM 0 HG21 THR A 67 13.285 22.473 -0.335 1.00 23.05 H new ATOM 0 HG22 THR A 67 12.729 21.947 1.272 1.00 23.05 H new ATOM 0 HG23 THR A 67 14.471 22.107 0.941 1.00 23.05 H new ATOM 1002 N ASN A 68 11.625 18.604 1.610 1.00 24.31 N ATOM 1003 CA ASN A 68 10.297 18.557 2.229 1.00 13.01 C ATOM 1004 C ASN A 68 10.091 17.222 2.906 1.00 51.04 C ATOM 1005 O ASN A 68 8.968 16.745 2.952 1.00 60.41 O ATOM 1006 CB ASN A 68 9.187 18.742 1.161 1.00 12.14 C ATOM 1007 CG ASN A 68 9.377 19.940 0.254 1.00 32.53 C ATOM 1008 OD1 ASN A 68 8.970 21.054 0.568 1.00 42.11 O ATOM 1009 ND2 ASN A 68 9.956 19.709 -0.910 1.00 3.34 N ATOM 0 H ASN A 68 11.710 18.043 0.763 1.00 24.31 H new ATOM 0 HA ASN A 68 10.237 19.364 2.959 1.00 13.01 H new ATOM 0 HB2 ASN A 68 9.138 17.843 0.547 1.00 12.14 H new ATOM 0 HB3 ASN A 68 8.226 18.835 1.667 1.00 12.14 H new ATOM 0 HD21 ASN A 68 10.076 20.469 -1.580 1.00 3.34 H new ATOM 0 HD22 ASN A 68 10.283 18.771 -1.140 1.00 3.34 H new ATOM 1016 N GLY A 69 11.182 16.612 3.381 1.00 41.53 N ATOM 1017 CA GLY A 69 11.178 15.225 3.886 1.00 54.33 C ATOM 1018 C GLY A 69 9.980 14.854 4.755 1.00 53.12 C ATOM 1019 O GLY A 69 9.696 15.502 5.787 1.00 65.05 O ATOM 0 H GLY A 69 12.096 17.062 3.428 1.00 41.53 H new ATOM 0 HA2 GLY A 69 11.214 14.545 3.035 1.00 54.33 H new ATOM 0 HA3 GLY A 69 12.089 15.062 4.462 1.00 54.33 H new ATOM 1023 N THR A 70 9.286 13.837 4.298 1.00 51.43 N ATOM 1024 CA THR A 70 8.058 13.326 4.870 1.00 10.44 C ATOM 1025 C THR A 70 8.287 12.644 6.246 1.00 20.53 C ATOM 1026 O THR A 70 9.367 12.084 6.518 1.00 75.22 O ATOM 1027 CB THR A 70 7.469 12.316 3.860 1.00 24.10 C ATOM 1028 OG1 THR A 70 7.354 12.957 2.572 1.00 22.14 O ATOM 1029 CG2 THR A 70 6.115 11.792 4.290 1.00 60.41 C ATOM 0 H THR A 70 9.578 13.314 3.472 1.00 51.43 H new ATOM 0 HA THR A 70 7.371 14.153 5.052 1.00 10.44 H new ATOM 0 HB THR A 70 8.143 11.461 3.809 1.00 24.10 H new ATOM 0 HG1 THR A 70 8.055 12.620 1.975 1.00 22.14 H new ATOM 0 HG21 THR A 70 5.745 11.086 3.546 1.00 60.41 H new ATOM 0 HG22 THR A 70 6.208 11.289 5.253 1.00 60.41 H new ATOM 0 HG23 THR A 70 5.415 12.623 4.381 1.00 60.41 H new ATOM 1037 N THR A 71 7.285 12.714 7.110 1.00 21.24 N ATOM 1038 CA THR A 71 7.367 12.107 8.404 1.00 23.53 C ATOM 1039 C THR A 71 6.413 10.945 8.540 1.00 51.15 C ATOM 1040 O THR A 71 5.313 10.945 7.972 1.00 54.22 O ATOM 1041 CB THR A 71 7.068 13.116 9.516 1.00 41.31 C ATOM 1042 OG1 THR A 71 5.819 13.768 9.278 1.00 2.32 O ATOM 1043 CG2 THR A 71 8.159 14.132 9.609 1.00 35.23 C ATOM 0 H THR A 71 6.404 13.193 6.923 1.00 21.24 H new ATOM 0 HA THR A 71 8.390 11.745 8.505 1.00 23.53 H new ATOM 0 HB THR A 71 7.009 12.574 10.460 1.00 41.31 H new ATOM 0 HG1 THR A 71 5.642 14.408 9.998 1.00 2.32 H new ATOM 0 HG21 THR A 71 7.929 14.841 10.405 1.00 35.23 H new ATOM 0 HG22 THR A 71 9.103 13.633 9.829 1.00 35.23 H new ATOM 0 HG23 THR A 71 8.242 14.664 8.662 1.00 35.23 H new ATOM 1051 N VAL A 72 6.837 9.964 9.279 1.00 63.31 N ATOM 1052 CA VAL A 72 6.034 8.835 9.597 1.00 1.54 C ATOM 1053 C VAL A 72 5.818 8.839 11.103 1.00 24.15 C ATOM 1054 O VAL A 72 6.781 8.835 11.894 1.00 60.33 O ATOM 1055 CB VAL A 72 6.677 7.502 9.119 1.00 63.12 C ATOM 1056 CG1 VAL A 72 6.852 7.516 7.607 1.00 74.14 C ATOM 1057 CG2 VAL A 72 8.021 7.261 9.788 1.00 33.04 C ATOM 0 H VAL A 72 7.773 9.931 9.684 1.00 63.31 H new ATOM 0 HA VAL A 72 5.080 8.904 9.074 1.00 1.54 H new ATOM 0 HB VAL A 72 6.006 6.691 9.401 1.00 63.12 H new ATOM 0 HG11 VAL A 72 7.303 6.578 7.284 1.00 74.14 H new ATOM 0 HG12 VAL A 72 5.879 7.634 7.129 1.00 74.14 H new ATOM 0 HG13 VAL A 72 7.499 8.346 7.323 1.00 74.14 H new ATOM 0 HG21 VAL A 72 8.442 6.321 9.431 1.00 33.04 H new ATOM 0 HG22 VAL A 72 8.700 8.078 9.545 1.00 33.04 H new ATOM 0 HG23 VAL A 72 7.886 7.211 10.868 1.00 33.04 H new ATOM 1067 N ASN A 73 4.578 8.966 11.497 1.00 44.40 N ATOM 1068 CA ASN A 73 4.191 9.042 12.904 1.00 32.02 C ATOM 1069 C ASN A 73 4.875 10.229 13.578 1.00 21.44 C ATOM 1070 O ASN A 73 5.221 10.174 14.754 1.00 41.14 O ATOM 1071 CB ASN A 73 4.485 7.713 13.629 1.00 71.24 C ATOM 1072 CG ASN A 73 3.587 6.596 13.138 1.00 70.53 C ATOM 1073 OD1 ASN A 73 2.433 6.826 12.787 1.00 22.20 O ATOM 1074 ND2 ASN A 73 4.105 5.399 13.077 1.00 11.53 N ATOM 0 H ASN A 73 3.790 9.021 10.852 1.00 44.40 H new ATOM 0 HA ASN A 73 3.115 9.204 12.965 1.00 32.02 H new ATOM 0 HB2 ASN A 73 5.528 7.437 13.473 1.00 71.24 H new ATOM 0 HB3 ASN A 73 4.347 7.846 14.702 1.00 71.24 H new ATOM 0 HD21 ASN A 73 3.547 4.619 12.729 1.00 11.53 H new ATOM 0 HD22 ASN A 73 5.067 5.244 13.377 1.00 11.53 H new ATOM 1081 N ASN A 74 5.067 11.304 12.771 1.00 11.15 N ATOM 1082 CA ASN A 74 5.663 12.602 13.178 1.00 1.12 C ATOM 1083 C ASN A 74 7.214 12.568 13.175 1.00 22.14 C ATOM 1084 O ASN A 74 7.879 13.587 13.389 1.00 73.21 O ATOM 1085 CB ASN A 74 5.088 13.105 14.535 1.00 0.42 C ATOM 1086 CG ASN A 74 5.431 14.552 14.863 1.00 64.34 C ATOM 1087 OD1 ASN A 74 5.585 15.388 13.973 1.00 54.14 O ATOM 1088 ND2 ASN A 74 5.522 14.861 16.129 1.00 22.03 N ATOM 0 H ASN A 74 4.802 11.290 11.786 1.00 11.15 H new ATOM 0 HA ASN A 74 5.372 13.330 12.421 1.00 1.12 H new ATOM 0 HB2 ASN A 74 4.004 12.995 14.520 1.00 0.42 H new ATOM 0 HB3 ASN A 74 5.462 12.465 15.334 1.00 0.42 H new ATOM 0 HD21 ASN A 74 5.727 15.821 16.406 1.00 22.03 H new ATOM 0 HD22 ASN A 74 5.388 14.142 16.840 1.00 22.03 H new ATOM 1095 N ALA A 75 7.786 11.415 12.891 1.00 54.12 N ATOM 1096 CA ALA A 75 9.238 11.275 12.856 1.00 32.23 C ATOM 1097 C ALA A 75 9.726 11.218 11.406 1.00 52.03 C ATOM 1098 O ALA A 75 9.181 10.468 10.605 1.00 3.51 O ATOM 1099 CB ALA A 75 9.663 10.025 13.612 1.00 51.42 C ATOM 0 H ALA A 75 7.273 10.559 12.680 1.00 54.12 H new ATOM 0 HA ALA A 75 9.689 12.141 13.340 1.00 32.23 H new ATOM 0 HB1 ALA A 75 10.748 9.931 13.579 1.00 51.42 H new ATOM 0 HB2 ALA A 75 9.337 10.099 14.649 1.00 51.42 H new ATOM 0 HB3 ALA A 75 9.209 9.148 13.150 1.00 51.42 H new ATOM 1105 N PRO A 76 10.719 12.034 11.035 1.00 5.14 N ATOM 1106 CA PRO A 76 11.239 12.071 9.661 1.00 2.13 C ATOM 1107 C PRO A 76 12.188 10.906 9.332 1.00 71.03 C ATOM 1108 O PRO A 76 13.197 10.677 10.013 1.00 13.14 O ATOM 1109 CB PRO A 76 11.982 13.407 9.612 1.00 24.20 C ATOM 1110 CG PRO A 76 12.454 13.626 11.013 1.00 73.52 C ATOM 1111 CD PRO A 76 11.415 13.005 11.915 1.00 55.23 C ATOM 0 HA PRO A 76 10.440 11.974 8.926 1.00 2.13 H new ATOM 0 HB2 PRO A 76 12.818 13.371 8.913 1.00 24.20 H new ATOM 0 HB3 PRO A 76 11.327 14.214 9.284 1.00 24.20 H new ATOM 0 HG2 PRO A 76 13.430 13.166 11.170 1.00 73.52 H new ATOM 0 HG3 PRO A 76 12.565 14.690 11.224 1.00 73.52 H new ATOM 0 HD2 PRO A 76 11.873 12.512 12.772 1.00 55.23 H new ATOM 0 HD3 PRO A 76 10.727 13.754 12.308 1.00 55.23 H new ATOM 1119 N VAL A 77 11.869 10.196 8.274 1.00 30.53 N ATOM 1120 CA VAL A 77 12.659 9.070 7.788 1.00 52.24 C ATOM 1121 C VAL A 77 12.618 9.111 6.277 1.00 35.32 C ATOM 1122 O VAL A 77 11.912 9.956 5.712 1.00 24.32 O ATOM 1123 CB VAL A 77 12.088 7.690 8.252 1.00 5.13 C ATOM 1124 CG1 VAL A 77 12.092 7.538 9.768 1.00 73.33 C ATOM 1125 CG2 VAL A 77 10.694 7.476 7.693 1.00 4.42 C ATOM 0 H VAL A 77 11.039 10.382 7.711 1.00 30.53 H new ATOM 0 HA VAL A 77 13.669 9.160 8.188 1.00 52.24 H new ATOM 0 HB VAL A 77 12.750 6.920 7.856 1.00 5.13 H new ATOM 0 HG11 VAL A 77 11.686 6.563 10.037 1.00 73.33 H new ATOM 0 HG12 VAL A 77 13.113 7.621 10.139 1.00 73.33 H new ATOM 0 HG13 VAL A 77 11.480 8.322 10.214 1.00 73.33 H new ATOM 0 HG21 VAL A 77 10.313 6.511 8.026 1.00 4.42 H new ATOM 0 HG22 VAL A 77 10.035 8.269 8.047 1.00 4.42 H new ATOM 0 HG23 VAL A 77 10.732 7.495 6.604 1.00 4.42 H new ATOM 1135 N GLN A 78 13.359 8.247 5.618 1.00 23.23 N ATOM 1136 CA GLN A 78 13.266 8.167 4.183 1.00 54.21 C ATOM 1137 C GLN A 78 12.774 6.821 3.697 1.00 51.04 C ATOM 1138 O GLN A 78 12.346 6.696 2.549 1.00 71.34 O ATOM 1139 CB GLN A 78 14.520 8.611 3.461 1.00 52.50 C ATOM 1140 CG GLN A 78 14.832 10.067 3.688 1.00 63.11 C ATOM 1141 CD GLN A 78 15.807 10.605 2.690 1.00 61.22 C ATOM 1142 OE1 GLN A 78 17.020 10.580 2.897 1.00 3.30 O ATOM 1143 NE2 GLN A 78 15.297 11.116 1.610 1.00 34.43 N ATOM 0 H GLN A 78 14.021 7.601 6.047 1.00 23.23 H new ATOM 0 HA GLN A 78 12.501 8.896 3.916 1.00 54.21 H new ATOM 0 HB2 GLN A 78 15.362 8.006 3.797 1.00 52.50 H new ATOM 0 HB3 GLN A 78 14.403 8.430 2.392 1.00 52.50 H new ATOM 0 HG2 GLN A 78 13.909 10.645 3.638 1.00 63.11 H new ATOM 0 HG3 GLN A 78 15.236 10.197 4.692 1.00 63.11 H new ATOM 0 HE21 GLN A 78 14.286 11.118 1.475 1.00 34.43 H new ATOM 0 HE22 GLN A 78 15.908 11.515 0.897 1.00 34.43 H new ATOM 1152 N GLU A 79 12.840 5.818 4.544 1.00 40.25 N ATOM 1153 CA GLU A 79 12.256 4.537 4.228 1.00 62.02 C ATOM 1154 C GLU A 79 11.579 3.962 5.455 1.00 74.02 C ATOM 1155 O GLU A 79 12.147 3.957 6.550 1.00 33.34 O ATOM 1156 CB GLU A 79 13.256 3.546 3.609 1.00 54.02 C ATOM 1157 CG GLU A 79 14.484 3.243 4.442 1.00 64.41 C ATOM 1158 CD GLU A 79 15.302 2.149 3.827 1.00 34.20 C ATOM 1159 OE1 GLU A 79 16.124 2.425 2.930 1.00 25.25 O ATOM 1160 OE2 GLU A 79 15.123 0.975 4.215 1.00 53.10 O ATOM 0 H GLU A 79 13.293 5.866 5.457 1.00 40.25 H new ATOM 0 HA GLU A 79 11.506 4.705 3.455 1.00 62.02 H new ATOM 0 HB2 GLU A 79 12.735 2.610 3.410 1.00 54.02 H new ATOM 0 HB3 GLU A 79 13.581 3.941 2.646 1.00 54.02 H new ATOM 0 HG2 GLU A 79 15.091 4.143 4.540 1.00 64.41 H new ATOM 0 HG3 GLU A 79 14.181 2.952 5.448 1.00 64.41 H new ATOM 1167 N TRP A 80 10.370 3.518 5.279 1.00 72.32 N ATOM 1168 CA TRP A 80 9.561 3.012 6.358 1.00 13.43 C ATOM 1169 C TRP A 80 8.667 1.921 5.826 1.00 64.03 C ATOM 1170 O TRP A 80 8.390 1.872 4.635 1.00 41.35 O ATOM 1171 CB TRP A 80 8.725 4.181 6.939 1.00 21.54 C ATOM 1172 CG TRP A 80 7.796 3.856 8.071 1.00 5.33 C ATOM 1173 CD1 TRP A 80 6.446 3.654 7.997 1.00 63.13 C ATOM 1174 CD2 TRP A 80 8.139 3.744 9.445 1.00 22.33 C ATOM 1175 NE1 TRP A 80 5.936 3.418 9.245 1.00 74.34 N ATOM 1176 CE2 TRP A 80 6.953 3.473 10.151 1.00 43.35 C ATOM 1177 CE3 TRP A 80 9.337 3.847 10.155 1.00 41.21 C ATOM 1178 CZ2 TRP A 80 6.931 3.306 11.519 1.00 21.15 C ATOM 1179 CZ3 TRP A 80 9.307 3.680 11.516 1.00 54.13 C ATOM 1180 CH2 TRP A 80 8.107 3.415 12.182 1.00 55.20 C ATOM 0 H TRP A 80 9.907 3.495 4.370 1.00 72.32 H new ATOM 0 HA TRP A 80 10.183 2.596 7.151 1.00 13.43 H new ATOM 0 HB2 TRP A 80 9.414 4.955 7.277 1.00 21.54 H new ATOM 0 HB3 TRP A 80 8.135 4.611 6.129 1.00 21.54 H new ATOM 0 HD1 TRP A 80 5.866 3.677 7.086 1.00 63.13 H new ATOM 0 HE1 TRP A 80 4.957 3.232 9.461 1.00 74.34 H new ATOM 0 HE3 TRP A 80 10.266 4.053 9.644 1.00 41.21 H new ATOM 0 HZ2 TRP A 80 6.010 3.096 12.043 1.00 21.15 H new ATOM 0 HZ3 TRP A 80 10.224 3.754 12.081 1.00 54.13 H new ATOM 0 HH2 TRP A 80 8.118 3.294 13.255 1.00 55.20 H new ATOM 1191 N GLN A 81 8.299 1.011 6.659 1.00 71.43 N ATOM 1192 CA GLN A 81 7.322 0.029 6.287 1.00 53.01 C ATOM 1193 C GLN A 81 6.029 0.362 6.989 1.00 71.33 C ATOM 1194 O GLN A 81 5.960 0.354 8.221 1.00 23.14 O ATOM 1195 CB GLN A 81 7.784 -1.410 6.551 1.00 74.14 C ATOM 1196 CG GLN A 81 8.278 -1.690 7.956 1.00 12.41 C ATOM 1197 CD GLN A 81 8.593 -3.146 8.155 1.00 55.32 C ATOM 1198 OE1 GLN A 81 7.740 -3.922 8.569 1.00 11.43 O ATOM 1199 NE2 GLN A 81 9.787 -3.536 7.847 1.00 61.25 N ATOM 0 H GLN A 81 8.658 0.920 7.609 1.00 71.43 H new ATOM 0 HA GLN A 81 7.171 0.068 5.208 1.00 53.01 H new ATOM 0 HB2 GLN A 81 6.955 -2.084 6.335 1.00 74.14 H new ATOM 0 HB3 GLN A 81 8.582 -1.651 5.849 1.00 74.14 H new ATOM 0 HG2 GLN A 81 9.169 -1.095 8.154 1.00 12.41 H new ATOM 0 HG3 GLN A 81 7.521 -1.380 8.676 1.00 12.41 H new ATOM 0 HE21 GLN A 81 10.472 -2.861 7.505 1.00 61.25 H new ATOM 0 HE22 GLN A 81 10.044 -4.518 7.946 1.00 61.25 H new ATOM 1208 N LEU A 82 5.046 0.721 6.202 1.00 15.51 N ATOM 1209 CA LEU A 82 3.746 1.167 6.690 1.00 65.10 C ATOM 1210 C LEU A 82 3.068 0.130 7.566 1.00 53.31 C ATOM 1211 O LEU A 82 3.274 -1.085 7.404 1.00 64.52 O ATOM 1212 CB LEU A 82 2.830 1.484 5.516 1.00 71.33 C ATOM 1213 CG LEU A 82 3.320 2.541 4.533 1.00 41.21 C ATOM 1214 CD1 LEU A 82 2.344 2.703 3.376 1.00 42.03 C ATOM 1215 CD2 LEU A 82 3.521 3.858 5.244 1.00 32.25 C ATOM 0 H LEU A 82 5.119 0.715 5.185 1.00 15.51 H new ATOM 0 HA LEU A 82 3.925 2.057 7.293 1.00 65.10 H new ATOM 0 HB2 LEU A 82 2.653 0.561 4.964 1.00 71.33 H new ATOM 0 HB3 LEU A 82 1.868 1.808 5.913 1.00 71.33 H new ATOM 0 HG LEU A 82 4.275 2.213 4.123 1.00 41.21 H new ATOM 0 HD11 LEU A 82 2.717 3.463 2.689 1.00 42.03 H new ATOM 0 HD12 LEU A 82 2.244 1.754 2.848 1.00 42.03 H new ATOM 0 HD13 LEU A 82 1.371 3.008 3.761 1.00 42.03 H new ATOM 0 HD21 LEU A 82 3.871 4.606 4.533 1.00 32.25 H new ATOM 0 HD22 LEU A 82 2.576 4.185 5.679 1.00 32.25 H new ATOM 0 HD23 LEU A 82 4.261 3.735 6.035 1.00 32.25 H new ATOM 1227 N ALA A 83 2.291 0.607 8.492 1.00 40.54 N ATOM 1228 CA ALA A 83 1.516 -0.224 9.356 1.00 21.40 C ATOM 1229 C ALA A 83 0.161 0.419 9.581 1.00 45.25 C ATOM 1230 O ALA A 83 -0.034 1.604 9.259 1.00 54.44 O ATOM 1231 CB ALA A 83 2.229 -0.407 10.668 1.00 53.13 C ATOM 0 H ALA A 83 2.178 1.605 8.669 1.00 40.54 H new ATOM 0 HA ALA A 83 1.379 -1.203 8.896 1.00 21.40 H new ATOM 0 HB1 ALA A 83 1.631 -1.042 11.322 1.00 53.13 H new ATOM 0 HB2 ALA A 83 3.198 -0.876 10.493 1.00 53.13 H new ATOM 0 HB3 ALA A 83 2.376 0.564 11.141 1.00 53.13 H new ATOM 1237 N ASP A 84 -0.762 -0.338 10.129 1.00 22.44 N ATOM 1238 CA ASP A 84 -2.107 0.150 10.383 1.00 50.22 C ATOM 1239 C ASP A 84 -2.096 1.141 11.526 1.00 22.31 C ATOM 1240 O ASP A 84 -1.727 0.804 12.658 1.00 72.15 O ATOM 1241 CB ASP A 84 -3.048 -1.009 10.700 1.00 63.24 C ATOM 1242 CG ASP A 84 -4.485 -0.572 10.884 1.00 44.45 C ATOM 1243 OD1 ASP A 84 -5.138 -0.191 9.895 1.00 64.11 O ATOM 1244 OD2 ASP A 84 -5.009 -0.658 12.005 1.00 53.14 O ATOM 0 H ASP A 84 -0.607 -1.306 10.412 1.00 22.44 H new ATOM 0 HA ASP A 84 -2.467 0.651 9.485 1.00 50.22 H new ATOM 0 HB2 ASP A 84 -2.997 -1.741 9.894 1.00 63.24 H new ATOM 0 HB3 ASP A 84 -2.707 -1.509 11.607 1.00 63.24 H new ATOM 1249 N GLY A 85 -2.438 2.359 11.223 1.00 50.00 N ATOM 1250 CA GLY A 85 -2.470 3.387 12.216 1.00 30.42 C ATOM 1251 C GLY A 85 -1.266 4.294 12.133 1.00 71.11 C ATOM 1252 O GLY A 85 -0.982 5.042 13.079 1.00 42.00 O ATOM 0 H GLY A 85 -2.701 2.664 10.286 1.00 50.00 H new ATOM 0 HA2 GLY A 85 -3.378 3.978 12.096 1.00 30.42 H new ATOM 0 HA3 GLY A 85 -2.514 2.933 13.206 1.00 30.42 H new ATOM 1256 N ASP A 86 -0.535 4.221 11.035 1.00 15.00 N ATOM 1257 CA ASP A 86 0.610 5.102 10.851 1.00 53.54 C ATOM 1258 C ASP A 86 0.195 6.379 10.199 1.00 63.35 C ATOM 1259 O ASP A 86 -0.583 6.368 9.239 1.00 73.00 O ATOM 1260 CB ASP A 86 1.754 4.463 10.056 1.00 30.31 C ATOM 1261 CG ASP A 86 2.578 3.495 10.859 1.00 31.43 C ATOM 1262 OD1 ASP A 86 2.431 3.451 12.107 1.00 73.44 O ATOM 1263 OD2 ASP A 86 3.418 2.789 10.270 1.00 42.15 O ATOM 0 H ASP A 86 -0.708 3.572 10.267 1.00 15.00 H new ATOM 0 HA ASP A 86 0.993 5.303 11.851 1.00 53.54 H new ATOM 0 HB2 ASP A 86 1.339 3.944 9.192 1.00 30.31 H new ATOM 0 HB3 ASP A 86 2.404 5.250 9.674 1.00 30.31 H new ATOM 1268 N VAL A 87 0.695 7.468 10.715 1.00 54.34 N ATOM 1269 CA VAL A 87 0.385 8.774 10.189 1.00 11.12 C ATOM 1270 C VAL A 87 1.533 9.244 9.335 1.00 54.15 C ATOM 1271 O VAL A 87 2.622 9.479 9.830 1.00 61.41 O ATOM 1272 CB VAL A 87 0.138 9.808 11.319 1.00 14.24 C ATOM 1273 CG1 VAL A 87 -0.215 11.172 10.745 1.00 41.23 C ATOM 1274 CG2 VAL A 87 -0.955 9.331 12.253 1.00 1.00 C ATOM 0 H VAL A 87 1.330 7.478 11.513 1.00 54.34 H new ATOM 0 HA VAL A 87 -0.529 8.693 9.601 1.00 11.12 H new ATOM 0 HB VAL A 87 1.062 9.907 11.888 1.00 14.24 H new ATOM 0 HG11 VAL A 87 -0.383 11.877 11.559 1.00 41.23 H new ATOM 0 HG12 VAL A 87 0.605 11.527 10.121 1.00 41.23 H new ATOM 0 HG13 VAL A 87 -1.120 11.090 10.143 1.00 41.23 H new ATOM 0 HG21 VAL A 87 -1.112 10.071 13.038 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -1.880 9.196 11.692 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -0.661 8.382 12.702 1.00 1.00 H new ATOM 1284 N ILE A 88 1.305 9.367 8.081 1.00 23.11 N ATOM 1285 CA ILE A 88 2.327 9.810 7.185 1.00 61.53 C ATOM 1286 C ILE A 88 2.014 11.238 6.796 1.00 11.22 C ATOM 1287 O ILE A 88 0.978 11.513 6.165 1.00 72.40 O ATOM 1288 CB ILE A 88 2.467 8.892 5.902 1.00 22.23 C ATOM 1289 CG1 ILE A 88 3.058 7.501 6.237 1.00 74.05 C ATOM 1290 CG2 ILE A 88 3.332 9.554 4.838 1.00 42.53 C ATOM 1291 CD1 ILE A 88 2.207 6.611 7.110 1.00 20.53 C ATOM 0 H ILE A 88 0.408 9.166 7.638 1.00 23.11 H new ATOM 0 HA ILE A 88 3.289 9.747 7.693 1.00 61.53 H new ATOM 0 HB ILE A 88 1.456 8.756 5.517 1.00 22.23 H new ATOM 0 HG12 ILE A 88 3.255 6.977 5.301 1.00 74.05 H new ATOM 0 HG13 ILE A 88 4.020 7.646 6.729 1.00 74.05 H new ATOM 0 HG21 ILE A 88 3.408 8.898 3.971 1.00 42.53 H new ATOM 0 HG22 ILE A 88 2.881 10.500 4.539 1.00 42.53 H new ATOM 0 HG23 ILE A 88 4.328 9.739 5.242 1.00 42.53 H new ATOM 0 HD11 ILE A 88 2.722 5.665 7.277 1.00 20.53 H new ATOM 0 HD12 ILE A 88 2.030 7.102 8.067 1.00 20.53 H new ATOM 0 HD13 ILE A 88 1.253 6.423 6.617 1.00 20.53 H new ATOM 1303 N ARG A 89 2.857 12.151 7.213 1.00 44.54 N ATOM 1304 CA ARG A 89 2.646 13.531 6.914 1.00 55.35 C ATOM 1305 C ARG A 89 3.497 13.937 5.764 1.00 53.41 C ATOM 1306 O ARG A 89 4.714 14.106 5.902 1.00 73.22 O ATOM 1307 CB ARG A 89 2.934 14.431 8.107 1.00 51.14 C ATOM 1308 CG ARG A 89 1.959 14.293 9.238 1.00 24.02 C ATOM 1309 CD ARG A 89 2.299 15.254 10.368 1.00 1.23 C ATOM 1310 NE ARG A 89 1.239 15.302 11.375 1.00 24.14 N ATOM 1311 CZ ARG A 89 1.402 15.259 12.712 1.00 44.21 C ATOM 1312 NH1 ARG A 89 2.625 15.258 13.249 1.00 31.44 N ATOM 1313 NH2 ARG A 89 0.336 15.267 13.507 1.00 52.11 N ATOM 0 H ARG A 89 3.695 11.955 7.761 1.00 44.54 H new ATOM 0 HA ARG A 89 1.593 13.649 6.659 1.00 55.35 H new ATOM 0 HB2 ARG A 89 3.935 14.212 8.478 1.00 51.14 H new ATOM 0 HB3 ARG A 89 2.938 15.468 7.771 1.00 51.14 H new ATOM 0 HG2 ARG A 89 0.949 14.490 8.879 1.00 24.02 H new ATOM 0 HG3 ARG A 89 1.970 13.269 9.610 1.00 24.02 H new ATOM 0 HD2 ARG A 89 3.234 14.947 10.838 1.00 1.23 H new ATOM 0 HD3 ARG A 89 2.460 16.252 9.961 1.00 1.23 H new ATOM 0 HE ARG A 89 0.282 15.375 11.031 1.00 24.14 H new ATOM 0 HH11 ARG A 89 3.447 15.290 12.646 1.00 31.44 H new ATOM 0 HH12 ARG A 89 2.737 15.225 14.262 1.00 31.44 H new ATOM 0 HH21 ARG A 89 -0.600 15.306 13.104 1.00 52.11 H new ATOM 0 HH22 ARG A 89 0.455 15.235 14.520 1.00 52.11 H new ATOM 1327 N LEU A 90 2.869 14.110 4.659 1.00 11.23 N ATOM 1328 CA LEU A 90 3.535 14.530 3.451 1.00 2.35 C ATOM 1329 C LEU A 90 3.016 15.890 3.051 1.00 20.43 C ATOM 1330 O LEU A 90 2.055 16.344 3.643 1.00 2.23 O ATOM 1331 CB LEU A 90 3.527 13.485 2.283 1.00 22.54 C ATOM 1332 CG LEU A 90 2.194 13.002 1.677 1.00 12.12 C ATOM 1333 CD1 LEU A 90 2.491 12.223 0.406 1.00 54.42 C ATOM 1334 CD2 LEU A 90 1.443 12.085 2.630 1.00 53.21 C ATOM 0 H LEU A 90 1.865 13.966 4.552 1.00 11.23 H new ATOM 0 HA LEU A 90 4.599 14.605 3.677 1.00 2.35 H new ATOM 0 HB2 LEU A 90 4.117 13.907 1.469 1.00 22.54 H new ATOM 0 HB3 LEU A 90 4.059 12.602 2.637 1.00 22.54 H new ATOM 0 HG LEU A 90 1.576 13.877 1.477 1.00 12.12 H new ATOM 0 HD11 LEU A 90 1.557 11.875 -0.034 1.00 54.42 H new ATOM 0 HD12 LEU A 90 3.008 12.869 -0.304 1.00 54.42 H new ATOM 0 HD13 LEU A 90 3.122 11.366 0.643 1.00 54.42 H new ATOM 0 HD21 LEU A 90 0.509 11.766 2.167 1.00 53.21 H new ATOM 0 HD22 LEU A 90 2.055 11.211 2.852 1.00 53.21 H new ATOM 0 HD23 LEU A 90 1.226 12.620 3.554 1.00 53.21 H new ATOM 1346 N GLY A 91 3.733 16.563 2.151 1.00 14.24 N ATOM 1347 CA GLY A 91 3.442 17.939 1.678 1.00 53.31 C ATOM 1348 C GLY A 91 1.977 18.380 1.732 1.00 64.40 C ATOM 1349 O GLY A 91 1.210 18.168 0.780 1.00 34.31 O ATOM 0 H GLY A 91 4.561 16.163 1.710 1.00 14.24 H new ATOM 0 HA2 GLY A 91 4.031 18.637 2.273 1.00 53.31 H new ATOM 0 HA3 GLY A 91 3.788 18.027 0.648 1.00 53.31 H new ATOM 1353 N HIS A 92 1.602 18.946 2.899 1.00 72.54 N ATOM 1354 CA HIS A 92 0.275 19.522 3.191 1.00 13.15 C ATOM 1355 C HIS A 92 -0.858 18.469 3.004 1.00 64.44 C ATOM 1356 O HIS A 92 -2.043 18.801 2.862 1.00 65.45 O ATOM 1357 CB HIS A 92 0.068 20.775 2.318 1.00 50.50 C ATOM 1358 CG HIS A 92 -1.015 21.720 2.774 1.00 44.34 C ATOM 1359 ND1 HIS A 92 -2.136 22.011 2.042 1.00 72.42 N ATOM 1360 CD2 HIS A 92 -1.096 22.481 3.890 1.00 14.52 C ATOM 1361 CE1 HIS A 92 -2.853 22.912 2.707 1.00 54.43 C ATOM 1362 NE2 HIS A 92 -2.264 23.238 3.847 1.00 70.30 N ATOM 0 H HIS A 92 2.240 19.016 3.692 1.00 72.54 H new ATOM 0 HA HIS A 92 0.230 19.822 4.238 1.00 13.15 H new ATOM 0 HB2 HIS A 92 1.009 21.324 2.274 1.00 50.50 H new ATOM 0 HB3 HIS A 92 -0.161 20.453 1.302 1.00 50.50 H new ATOM 0 HD1 HIS A 92 -2.380 21.605 1.139 1.00 72.42 H new ATOM 0 HD2 HIS A 92 -0.369 22.499 4.689 1.00 14.52 H new ATOM 0 HE1 HIS A 92 -3.791 23.323 2.363 1.00 54.43 H new ATOM 1370 N SER A 93 -0.482 17.216 3.062 1.00 11.40 N ATOM 1371 CA SER A 93 -1.394 16.114 2.910 1.00 63.44 C ATOM 1372 C SER A 93 -1.052 15.066 3.965 1.00 23.12 C ATOM 1373 O SER A 93 0.028 14.499 3.952 1.00 54.15 O ATOM 1374 CB SER A 93 -1.226 15.505 1.517 1.00 60.31 C ATOM 1375 OG SER A 93 -1.298 16.507 0.502 1.00 51.13 O ATOM 0 H SER A 93 0.484 16.930 3.219 1.00 11.40 H new ATOM 0 HA SER A 93 -2.423 16.453 3.031 1.00 63.44 H new ATOM 0 HB2 SER A 93 -0.267 14.990 1.456 1.00 60.31 H new ATOM 0 HB3 SER A 93 -2.001 14.757 1.349 1.00 60.31 H new ATOM 0 HG SER A 93 -0.496 17.068 0.539 1.00 51.13 H new ATOM 1381 N GLU A 94 -1.925 14.838 4.884 1.00 15.55 N ATOM 1382 CA GLU A 94 -1.646 13.879 5.925 1.00 32.21 C ATOM 1383 C GLU A 94 -2.552 12.687 5.776 1.00 32.03 C ATOM 1384 O GLU A 94 -3.789 12.838 5.702 1.00 61.11 O ATOM 1385 CB GLU A 94 -1.846 14.504 7.276 1.00 70.52 C ATOM 1386 CG GLU A 94 -1.034 15.757 7.499 1.00 52.12 C ATOM 1387 CD GLU A 94 -1.338 16.385 8.814 1.00 42.22 C ATOM 1388 OE1 GLU A 94 -0.919 15.850 9.855 1.00 31.03 O ATOM 1389 OE2 GLU A 94 -2.020 17.427 8.830 1.00 20.50 O ATOM 0 H GLU A 94 -2.836 15.293 4.947 1.00 15.55 H new ATOM 0 HA GLU A 94 -0.609 13.557 5.837 1.00 32.21 H new ATOM 0 HB2 GLU A 94 -2.902 14.741 7.403 1.00 70.52 H new ATOM 0 HB3 GLU A 94 -1.588 13.775 8.044 1.00 70.52 H new ATOM 0 HG2 GLU A 94 0.028 15.516 7.448 1.00 52.12 H new ATOM 0 HG3 GLU A 94 -1.238 16.470 6.700 1.00 52.12 H new ATOM 1396 N ILE A 95 -1.972 11.518 5.701 1.00 12.03 N ATOM 1397 CA ILE A 95 -2.736 10.337 5.565 1.00 22.33 C ATOM 1398 C ILE A 95 -2.449 9.357 6.696 1.00 32.44 C ATOM 1399 O ILE A 95 -1.351 9.343 7.261 1.00 44.05 O ATOM 1400 CB ILE A 95 -2.594 9.661 4.139 1.00 53.10 C ATOM 1401 CG1 ILE A 95 -1.192 9.118 3.786 1.00 10.04 C ATOM 1402 CG2 ILE A 95 -3.060 10.591 3.030 1.00 14.31 C ATOM 1403 CD1 ILE A 95 -0.774 7.864 4.510 1.00 44.14 C ATOM 0 H ILE A 95 -0.963 11.373 5.734 1.00 12.03 H new ATOM 0 HA ILE A 95 -3.781 10.636 5.644 1.00 22.33 H new ATOM 0 HB ILE A 95 -3.244 8.789 4.213 1.00 53.10 H new ATOM 0 HG12 ILE A 95 -1.157 8.925 2.714 1.00 10.04 H new ATOM 0 HG13 ILE A 95 -0.458 9.897 3.994 1.00 10.04 H new ATOM 0 HG21 ILE A 95 -2.948 10.093 2.067 1.00 14.31 H new ATOM 0 HG22 ILE A 95 -4.108 10.847 3.186 1.00 14.31 H new ATOM 0 HG23 ILE A 95 -2.459 11.500 3.041 1.00 14.31 H new ATOM 0 HD11 ILE A 95 0.225 7.573 4.186 1.00 44.14 H new ATOM 0 HD12 ILE A 95 -0.767 8.049 5.584 1.00 44.14 H new ATOM 0 HD13 ILE A 95 -1.477 7.062 4.284 1.00 44.14 H new ATOM 1415 N ILE A 96 -3.434 8.589 7.042 1.00 2.21 N ATOM 1416 CA ILE A 96 -3.301 7.543 8.007 1.00 20.01 C ATOM 1417 C ILE A 96 -3.417 6.231 7.250 1.00 14.00 C ATOM 1418 O ILE A 96 -4.391 6.014 6.531 1.00 44.52 O ATOM 1419 CB ILE A 96 -4.411 7.621 9.094 1.00 13.35 C ATOM 1420 CG1 ILE A 96 -4.389 9.001 9.775 1.00 34.30 C ATOM 1421 CG2 ILE A 96 -4.220 6.508 10.133 1.00 21.22 C ATOM 1422 CD1 ILE A 96 -5.482 9.207 10.804 1.00 13.31 C ATOM 0 H ILE A 96 -4.373 8.673 6.653 1.00 2.21 H new ATOM 0 HA ILE A 96 -2.344 7.632 8.521 1.00 20.01 H new ATOM 0 HB ILE A 96 -5.381 7.483 8.615 1.00 13.35 H new ATOM 0 HG12 ILE A 96 -3.421 9.140 10.257 1.00 34.30 H new ATOM 0 HG13 ILE A 96 -4.477 9.772 9.010 1.00 34.30 H new ATOM 0 HG21 ILE A 96 -5.004 6.576 10.887 1.00 21.22 H new ATOM 0 HG22 ILE A 96 -4.273 5.537 9.640 1.00 21.22 H new ATOM 0 HG23 ILE A 96 -3.247 6.619 10.611 1.00 21.22 H new ATOM 0 HD11 ILE A 96 -5.393 10.204 11.235 1.00 13.31 H new ATOM 0 HD12 ILE A 96 -6.456 9.104 10.326 1.00 13.31 H new ATOM 0 HD13 ILE A 96 -5.384 8.461 11.593 1.00 13.31 H new ATOM 1434 N VAL A 97 -2.421 5.407 7.350 1.00 1.44 N ATOM 1435 CA VAL A 97 -2.408 4.143 6.654 1.00 75.04 C ATOM 1436 C VAL A 97 -3.224 3.111 7.390 1.00 13.11 C ATOM 1437 O VAL A 97 -3.038 2.896 8.589 1.00 43.40 O ATOM 1438 CB VAL A 97 -0.969 3.630 6.430 1.00 54.30 C ATOM 1439 CG1 VAL A 97 -0.974 2.199 5.927 1.00 15.05 C ATOM 1440 CG2 VAL A 97 -0.278 4.512 5.427 1.00 55.45 C ATOM 0 H VAL A 97 -1.590 5.585 7.915 1.00 1.44 H new ATOM 0 HA VAL A 97 -2.860 4.310 5.676 1.00 75.04 H new ATOM 0 HB VAL A 97 -0.438 3.657 7.382 1.00 54.30 H new ATOM 0 HG11 VAL A 97 0.052 1.862 5.777 1.00 15.05 H new ATOM 0 HG12 VAL A 97 -1.463 1.557 6.660 1.00 15.05 H new ATOM 0 HG13 VAL A 97 -1.514 2.148 4.982 1.00 15.05 H new ATOM 0 HG21 VAL A 97 0.739 4.153 5.266 1.00 55.45 H new ATOM 0 HG22 VAL A 97 -0.825 4.489 4.484 1.00 55.45 H new ATOM 0 HG23 VAL A 97 -0.246 5.535 5.803 1.00 55.45 H new ATOM 1450 N ARG A 98 -4.147 2.507 6.690 1.00 3.13 N ATOM 1451 CA ARG A 98 -4.949 1.481 7.246 1.00 4.45 C ATOM 1452 C ARG A 98 -4.699 0.193 6.517 1.00 50.34 C ATOM 1453 O ARG A 98 -4.486 0.174 5.300 1.00 42.41 O ATOM 1454 CB ARG A 98 -6.433 1.829 7.203 1.00 64.54 C ATOM 1455 CG ARG A 98 -6.812 3.128 7.890 1.00 24.23 C ATOM 1456 CD ARG A 98 -6.232 3.279 9.300 1.00 54.10 C ATOM 1457 NE ARG A 98 -6.465 2.124 10.174 1.00 41.41 N ATOM 1458 CZ ARG A 98 -7.202 2.130 11.283 1.00 63.42 C ATOM 1459 NH1 ARG A 98 -7.989 3.166 11.563 1.00 45.02 N ATOM 1460 NH2 ARG A 98 -7.153 1.092 12.105 1.00 43.02 N ATOM 0 H ARG A 98 -4.355 2.723 5.715 1.00 3.13 H new ATOM 0 HA ARG A 98 -4.671 1.372 8.294 1.00 4.45 H new ATOM 0 HB2 ARG A 98 -6.747 1.883 6.161 1.00 64.54 H new ATOM 0 HB3 ARG A 98 -6.994 1.016 7.664 1.00 64.54 H new ATOM 0 HG2 ARG A 98 -6.473 3.963 7.277 1.00 24.23 H new ATOM 0 HG3 ARG A 98 -7.899 3.194 7.946 1.00 24.23 H new ATOM 0 HD2 ARG A 98 -5.158 3.451 9.222 1.00 54.10 H new ATOM 0 HD3 ARG A 98 -6.664 4.165 9.765 1.00 54.10 H new ATOM 0 HE ARG A 98 -6.026 1.242 9.910 1.00 41.41 H new ATOM 0 HH11 ARG A 98 -8.030 3.962 10.926 1.00 45.02 H new ATOM 0 HH12 ARG A 98 -8.551 3.164 12.414 1.00 45.02 H new ATOM 0 HH21 ARG A 98 -6.554 0.296 11.886 1.00 43.02 H new ATOM 0 HH22 ARG A 98 -7.714 1.089 12.957 1.00 43.02 H new ATOM 1474 N MET A 99 -4.697 -0.853 7.255 1.00 34.23 N ATOM 1475 CA MET A 99 -4.482 -2.182 6.733 1.00 12.11 C ATOM 1476 C MET A 99 -5.650 -3.048 7.097 1.00 33.21 C ATOM 1477 O MET A 99 -5.976 -3.215 8.279 1.00 54.12 O ATOM 1478 CB MET A 99 -3.196 -2.797 7.270 1.00 51.31 C ATOM 1479 CG MET A 99 -1.922 -2.090 6.829 1.00 62.14 C ATOM 1480 SD MET A 99 -0.454 -2.722 7.677 1.00 10.14 S ATOM 1481 CE MET A 99 -0.552 -4.469 7.290 1.00 74.24 C ATOM 0 H MET A 99 -4.847 -0.826 8.264 1.00 34.23 H new ATOM 0 HA MET A 99 -4.387 -2.113 5.649 1.00 12.11 H new ATOM 0 HB2 MET A 99 -3.237 -2.798 8.359 1.00 51.31 H new ATOM 0 HB3 MET A 99 -3.147 -3.838 6.952 1.00 51.31 H new ATOM 0 HG2 MET A 99 -1.797 -2.210 5.753 1.00 62.14 H new ATOM 0 HG3 MET A 99 -2.018 -1.021 7.021 1.00 62.14 H new ATOM 0 HE1 MET A 99 0.343 -4.973 7.655 1.00 74.24 H new ATOM 0 HE2 MET A 99 -1.432 -4.899 7.769 1.00 74.24 H new ATOM 0 HE3 MET A 99 -0.627 -4.599 6.210 1.00 74.24 H new ATOM 1491 N HIS A 100 -6.273 -3.572 6.110 1.00 54.04 N ATOM 1492 CA HIS A 100 -7.436 -4.383 6.270 1.00 34.45 C ATOM 1493 C HIS A 100 -7.044 -5.800 5.917 1.00 43.51 C ATOM 1494 O HIS A 100 -6.863 -6.615 6.829 1.00 14.30 O ATOM 1495 CB HIS A 100 -8.573 -3.896 5.347 1.00 71.31 C ATOM 1496 CG HIS A 100 -8.860 -2.414 5.421 1.00 0.44 C ATOM 1497 ND1 HIS A 100 -9.742 -1.828 6.305 1.00 3.10 N ATOM 1498 CD2 HIS A 100 -8.347 -1.396 4.683 1.00 35.25 C ATOM 1499 CE1 HIS A 100 -9.739 -0.509 6.080 1.00 24.04 C ATOM 1500 NE2 HIS A 100 -8.905 -0.196 5.104 1.00 73.44 N ATOM 1501 OXT HIS A 100 -6.809 -6.076 4.720 1.00 38.48 O ATOM 0 H HIS A 100 -5.987 -3.450 5.139 1.00 54.04 H new ATOM 0 HA HIS A 100 -7.803 -4.325 7.295 1.00 34.45 H new ATOM 0 HB2 HIS A 100 -8.321 -4.152 4.318 1.00 71.31 H new ATOM 0 HB3 HIS A 100 -9.483 -4.441 5.597 1.00 71.31 H new ATOM 0 HD1 HIS A 100 -10.299 -2.315 7.007 1.00 3.10 H new ATOM 0 HD2 HIS A 100 -7.619 -1.503 3.892 1.00 35.25 H new ATOM 0 HE1 HIS A 100 -10.339 0.205 6.624 1.00 24.04 H new TER 1509 HIS A 100