USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 697 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 Single : A 10 ASN : amide:sc= -3.42! K(o=-3.4!,f=-2.5) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -3.23 X(o=-3.2,f=-3.7!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.3!) USER MOD Single : A 37 TYR OH : rot -15:sc= -1.99 USER MOD Single : A 38 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.1) USER MOD Single : A 39 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.0095) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.258 (180deg=-0.887) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0179) USER MOD Single : A 65 CYS SG : rot 76:sc= -3.38! USER MOD Single : A 66 THR OG1 : rot 68:sc= -0.316 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 122 GLN : amide:sc= -0.144 X(o=-0.14,f=0.3) USER MOD Single : B 124 LYS NZ :NH3+ 178:sc= -0.0907 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -12.457 -8.599 2.535 1.00 42.10 N ATOM 2 CA ASN A 10 -11.125 -8.045 2.722 1.00 44.50 C ATOM 3 C ASN A 10 -10.549 -7.547 1.400 1.00 70.30 C ATOM 4 O ASN A 10 -9.917 -6.493 1.345 1.00 23.20 O ATOM 5 CB ASN A 10 -10.195 -9.095 3.333 1.00 35.00 C ATOM 6 CG ASN A 10 -9.227 -8.498 4.335 1.00 71.20 C ATOM 7 OD1 ASN A 10 -9.624 -8.065 5.417 1.00 60.40 O ATOM 8 ND2 ASN A 10 -7.948 -8.472 3.979 1.00 2.30 N ATOM 0 HA ASN A 10 -11.205 -7.198 3.403 1.00 44.50 H new ATOM 0 HB2 ASN A 10 -10.792 -9.864 3.823 1.00 35.00 H new ATOM 0 HB3 ASN A 10 -9.634 -9.586 2.538 1.00 35.00 H new ATOM 0 HD21 ASN A 10 -7.250 -8.082 4.612 1.00 2.30 H new ATOM 0 HD22 ASN A 10 -7.663 -8.842 3.072 1.00 2.30 H new ATOM 15 N LEU A 11 -10.769 -8.311 0.340 1.00 71.20 N ATOM 16 CA LEU A 11 -10.274 -7.949 -0.983 1.00 63.30 C ATOM 17 C LEU A 11 -10.872 -6.623 -1.443 1.00 61.00 C ATOM 18 O LEU A 11 -10.157 -5.726 -1.885 1.00 44.30 O ATOM 19 CB LEU A 11 -10.596 -9.048 -1.990 1.00 5.51 C ATOM 20 CG LEU A 11 -9.559 -10.167 -2.091 1.00 1.12 C ATOM 21 CD1 LEU A 11 -10.174 -11.414 -2.711 1.00 32.30 C ATOM 22 CD2 LEU A 11 -8.355 -9.702 -2.897 1.00 72.10 C ATOM 0 H LEU A 11 -11.288 -9.188 0.369 1.00 71.20 H new ATOM 0 HA LEU A 11 -9.192 -7.834 -0.920 1.00 63.30 H new ATOM 0 HB2 LEU A 11 -11.557 -9.489 -1.726 1.00 5.51 H new ATOM 0 HB3 LEU A 11 -10.713 -8.594 -2.974 1.00 5.51 H new ATOM 0 HG LEU A 11 -9.223 -10.419 -1.085 1.00 1.12 H new ATOM 0 HD11 LEU A 11 -9.420 -12.199 -2.774 1.00 32.30 H new ATOM 0 HD12 LEU A 11 -11.003 -11.757 -2.092 1.00 32.30 H new ATOM 0 HD13 LEU A 11 -10.539 -11.181 -3.711 1.00 32.30 H new ATOM 0 HD21 LEU A 11 -7.626 -10.509 -2.960 1.00 72.10 H new ATOM 0 HD22 LEU A 11 -8.675 -9.423 -3.901 1.00 72.10 H new ATOM 0 HD23 LEU A 11 -7.901 -8.840 -2.408 1.00 72.10 H new ATOM 34 N GLN A 12 -12.193 -6.510 -1.338 1.00 31.00 N ATOM 35 CA GLN A 12 -12.893 -5.295 -1.746 1.00 11.20 C ATOM 36 C GLN A 12 -12.321 -4.070 -1.038 1.00 11.20 C ATOM 37 O GLN A 12 -12.337 -2.968 -1.584 1.00 12.20 O ATOM 38 CB GLN A 12 -14.387 -5.419 -1.446 1.00 42.00 C ATOM 39 CG GLN A 12 -15.273 -4.751 -2.487 1.00 60.20 C ATOM 40 CD GLN A 12 -16.609 -4.309 -1.920 1.00 74.30 C ATOM 41 OE1 GLN A 12 -16.779 -3.148 -1.542 1.00 63.20 O ATOM 42 NE2 GLN A 12 -17.559 -5.231 -1.852 1.00 34.20 N ATOM 0 H GLN A 12 -12.800 -7.244 -0.974 1.00 31.00 H new ATOM 0 HA GLN A 12 -12.752 -5.169 -2.820 1.00 11.20 H new ATOM 0 HB2 GLN A 12 -14.650 -6.475 -1.380 1.00 42.00 H new ATOM 0 HB3 GLN A 12 -14.591 -4.978 -0.470 1.00 42.00 H new ATOM 0 HG2 GLN A 12 -14.754 -3.886 -2.899 1.00 60.20 H new ATOM 0 HG3 GLN A 12 -15.444 -5.443 -3.311 1.00 60.20 H new ATOM 0 HE21 GLN A 12 -17.373 -6.180 -2.177 1.00 34.20 H new ATOM 0 HE22 GLN A 12 -18.476 -4.992 -1.475 1.00 34.20 H new ATOM 51 N LYS A 13 -11.826 -4.276 0.173 1.00 21.30 N ATOM 52 CA LYS A 13 -11.249 -3.189 0.954 1.00 41.30 C ATOM 53 C LYS A 13 -9.885 -2.787 0.401 1.00 72.00 C ATOM 54 O LYS A 13 -9.496 -1.621 0.467 1.00 14.50 O ATOM 55 CB LYS A 13 -11.119 -3.601 2.423 1.00 74.40 C ATOM 56 CG LYS A 13 -12.271 -3.127 3.292 1.00 1.41 C ATOM 57 CD LYS A 13 -13.610 -3.609 2.753 1.00 20.30 C ATOM 58 CE LYS A 13 -14.561 -3.980 3.879 1.00 2.31 C ATOM 59 NZ LYS A 13 -14.350 -5.378 4.346 1.00 72.40 N ATOM 0 H LYS A 13 -11.812 -5.184 0.637 1.00 21.30 H new ATOM 0 HA LYS A 13 -11.916 -2.330 0.884 1.00 41.30 H new ATOM 0 HB2 LYS A 13 -11.053 -4.687 2.482 1.00 74.40 H new ATOM 0 HB3 LYS A 13 -10.186 -3.203 2.822 1.00 74.40 H new ATOM 0 HG2 LYS A 13 -12.135 -3.492 4.310 1.00 1.41 H new ATOM 0 HG3 LYS A 13 -12.268 -2.038 3.341 1.00 1.41 H new ATOM 0 HD2 LYS A 13 -14.059 -2.828 2.138 1.00 20.30 H new ATOM 0 HD3 LYS A 13 -13.454 -4.473 2.107 1.00 20.30 H new ATOM 0 HE2 LYS A 13 -14.421 -3.293 4.714 1.00 2.31 H new ATOM 0 HE3 LYS A 13 -15.590 -3.862 3.539 1.00 2.31 H new ATOM 0 HZ1 LYS A 13 -15.018 -5.592 5.114 1.00 72.40 H new ATOM 0 HZ2 LYS A 13 -14.509 -6.036 3.556 1.00 72.40 H new ATOM 0 HZ3 LYS A 13 -13.376 -5.484 4.695 1.00 72.40 H new ATOM 73 N ALA A 14 -9.164 -3.761 -0.145 1.00 13.20 N ATOM 74 CA ALA A 14 -7.844 -3.508 -0.710 1.00 72.50 C ATOM 75 C ALA A 14 -7.924 -2.538 -1.883 1.00 13.40 C ATOM 76 O ALA A 14 -7.161 -1.575 -1.959 1.00 54.30 O ATOM 77 CB ALA A 14 -7.198 -4.815 -1.146 1.00 62.10 C ATOM 0 H ALA A 14 -9.471 -4.732 -0.208 1.00 13.20 H new ATOM 0 HA ALA A 14 -7.227 -3.050 0.063 1.00 72.50 H new ATOM 0 HB1 ALA A 14 -6.213 -4.612 -1.566 1.00 62.10 H new ATOM 0 HB2 ALA A 14 -7.096 -5.475 -0.285 1.00 62.10 H new ATOM 0 HB3 ALA A 14 -7.822 -5.295 -1.900 1.00 62.10 H new ATOM 83 N ILE A 15 -8.855 -2.796 -2.796 1.00 5.42 N ATOM 84 CA ILE A 15 -9.035 -1.942 -3.965 1.00 31.40 C ATOM 85 C ILE A 15 -9.727 -0.638 -3.587 1.00 45.40 C ATOM 86 O ILE A 15 -9.335 0.438 -4.037 1.00 4.51 O ATOM 87 CB ILE A 15 -9.853 -2.648 -5.058 1.00 12.00 C ATOM 88 CG1 ILE A 15 -9.261 -4.025 -5.363 1.00 23.40 C ATOM 89 CG2 ILE A 15 -9.906 -1.799 -6.321 1.00 74.40 C ATOM 90 CD1 ILE A 15 -9.869 -5.139 -4.543 1.00 64.20 C ATOM 0 H ILE A 15 -9.496 -3.588 -2.749 1.00 5.42 H new ATOM 0 HA ILE A 15 -8.041 -1.724 -4.355 1.00 31.40 H new ATOM 0 HB ILE A 15 -10.871 -2.782 -4.692 1.00 12.00 H new ATOM 0 HG12 ILE A 15 -9.401 -4.246 -6.421 1.00 23.40 H new ATOM 0 HG13 ILE A 15 -8.186 -3.997 -5.183 1.00 23.40 H new ATOM 0 HG21 ILE A 15 -10.489 -2.316 -7.083 1.00 74.40 H new ATOM 0 HG22 ILE A 15 -10.372 -0.840 -6.095 1.00 74.40 H new ATOM 0 HG23 ILE A 15 -8.894 -1.632 -6.690 1.00 74.40 H new ATOM 0 HD11 ILE A 15 -9.401 -6.086 -4.812 1.00 64.20 H new ATOM 0 HD12 ILE A 15 -9.706 -4.942 -3.484 1.00 64.20 H new ATOM 0 HD13 ILE A 15 -10.939 -5.194 -4.741 1.00 64.20 H new ATOM 102 N ASP A 16 -10.757 -0.740 -2.753 1.00 2.54 N ATOM 103 CA ASP A 16 -11.501 0.434 -2.311 1.00 5.41 C ATOM 104 C ASP A 16 -10.583 1.411 -1.584 1.00 44.20 C ATOM 105 O ASP A 16 -10.695 2.625 -1.751 1.00 21.40 O ATOM 106 CB ASP A 16 -12.654 0.019 -1.396 1.00 64.50 C ATOM 107 CG ASP A 16 -13.806 -0.583 -2.158 1.00 72.10 C ATOM 108 OD1 ASP A 16 -13.552 -1.385 -3.080 1.00 2.32 O ATOM 109 OD2 ASP A 16 -14.972 -0.257 -1.840 1.00 21.40 O ATOM 0 H ASP A 16 -11.095 -1.623 -2.370 1.00 2.54 H new ATOM 0 HA ASP A 16 -11.909 0.931 -3.191 1.00 5.41 H new ATOM 0 HB2 ASP A 16 -12.291 -0.702 -0.663 1.00 64.50 H new ATOM 0 HB3 ASP A 16 -13.005 0.889 -0.841 1.00 64.50 H new ATOM 114 N LEU A 17 -9.674 0.870 -0.779 1.00 13.40 N ATOM 115 CA LEU A 17 -8.733 1.690 -0.028 1.00 43.50 C ATOM 116 C LEU A 17 -7.562 2.115 -0.908 1.00 22.50 C ATOM 117 O LEU A 17 -6.993 3.192 -0.724 1.00 32.20 O ATOM 118 CB LEU A 17 -8.217 0.925 1.192 1.00 71.30 C ATOM 119 CG LEU A 17 -9.214 0.796 2.346 1.00 53.30 C ATOM 120 CD1 LEU A 17 -9.046 -0.542 3.050 1.00 63.50 C ATOM 121 CD2 LEU A 17 -9.039 1.944 3.328 1.00 51.10 C ATOM 0 H LEU A 17 -9.570 -0.134 -0.631 1.00 13.40 H new ATOM 0 HA LEU A 17 -9.257 2.585 0.308 1.00 43.50 H new ATOM 0 HB2 LEU A 17 -7.920 -0.075 0.876 1.00 71.30 H new ATOM 0 HB3 LEU A 17 -7.320 1.423 1.561 1.00 71.30 H new ATOM 0 HG LEU A 17 -10.224 0.843 1.938 1.00 53.30 H new ATOM 0 HD11 LEU A 17 -9.763 -0.616 3.867 1.00 63.50 H new ATOM 0 HD12 LEU A 17 -9.220 -1.351 2.340 1.00 63.50 H new ATOM 0 HD13 LEU A 17 -8.034 -0.620 3.447 1.00 63.50 H new ATOM 0 HD21 LEU A 17 -9.755 1.838 4.143 1.00 51.10 H new ATOM 0 HD22 LEU A 17 -8.026 1.927 3.730 1.00 51.10 H new ATOM 0 HD23 LEU A 17 -9.210 2.891 2.815 1.00 51.10 H new ATOM 133 N ALA A 18 -7.208 1.264 -1.865 1.00 44.30 N ATOM 134 CA ALA A 18 -6.105 1.552 -2.773 1.00 61.00 C ATOM 135 C ALA A 18 -6.523 2.552 -3.845 1.00 31.30 C ATOM 136 O ALA A 18 -5.707 3.338 -4.326 1.00 11.10 O ATOM 137 CB ALA A 18 -5.601 0.267 -3.415 1.00 42.50 C ATOM 0 H ALA A 18 -7.669 0.370 -2.032 1.00 44.30 H new ATOM 0 HA ALA A 18 -5.297 1.998 -2.193 1.00 61.00 H new ATOM 0 HB1 ALA A 18 -4.777 0.497 -4.091 1.00 42.50 H new ATOM 0 HB2 ALA A 18 -5.254 -0.416 -2.639 1.00 42.50 H new ATOM 0 HB3 ALA A 18 -6.410 -0.201 -3.975 1.00 42.50 H new ATOM 143 N SER A 19 -7.799 2.517 -4.214 1.00 1.31 N ATOM 144 CA SER A 19 -8.325 3.422 -5.229 1.00 54.20 C ATOM 145 C SER A 19 -8.466 4.837 -4.677 1.00 2.53 C ATOM 146 O SER A 19 -8.078 5.809 -5.325 1.00 33.00 O ATOM 147 CB SER A 19 -9.681 2.923 -5.734 1.00 45.20 C ATOM 148 OG SER A 19 -9.526 2.084 -6.865 1.00 22.30 O ATOM 0 H SER A 19 -8.487 1.872 -3.826 1.00 1.31 H new ATOM 0 HA SER A 19 -7.620 3.444 -6.060 1.00 54.20 H new ATOM 0 HB2 SER A 19 -10.190 2.377 -4.940 1.00 45.20 H new ATOM 0 HB3 SER A 19 -10.312 3.773 -5.992 1.00 45.20 H new ATOM 0 HG SER A 19 -10.406 1.777 -7.168 1.00 22.30 H new ATOM 154 N LYS A 20 -9.022 4.945 -3.474 1.00 22.10 N ATOM 155 CA LYS A 20 -9.213 6.241 -2.834 1.00 53.10 C ATOM 156 C LYS A 20 -7.871 6.904 -2.538 1.00 32.50 C ATOM 157 O LYS A 20 -7.739 8.124 -2.623 1.00 42.40 O ATOM 158 CB LYS A 20 -10.013 6.081 -1.540 1.00 34.50 C ATOM 159 CG LYS A 20 -10.646 7.374 -1.053 1.00 34.40 C ATOM 160 CD LYS A 20 -12.081 7.509 -1.534 1.00 72.20 C ATOM 161 CE LYS A 20 -12.591 8.932 -1.375 1.00 24.10 C ATOM 162 NZ LYS A 20 -13.257 9.138 -0.058 1.00 63.10 N ATOM 0 H LYS A 20 -9.348 4.151 -2.923 1.00 22.10 H new ATOM 0 HA LYS A 20 -9.770 6.879 -3.520 1.00 53.10 H new ATOM 0 HB2 LYS A 20 -10.796 5.339 -1.696 1.00 34.50 H new ATOM 0 HB3 LYS A 20 -9.356 5.692 -0.762 1.00 34.50 H new ATOM 0 HG2 LYS A 20 -10.622 7.404 0.036 1.00 34.40 H new ATOM 0 HG3 LYS A 20 -10.061 8.223 -1.408 1.00 34.40 H new ATOM 0 HD2 LYS A 20 -12.144 7.214 -2.581 1.00 72.20 H new ATOM 0 HD3 LYS A 20 -12.720 6.828 -0.972 1.00 72.20 H new ATOM 0 HE2 LYS A 20 -11.759 9.629 -1.475 1.00 24.10 H new ATOM 0 HE3 LYS A 20 -13.294 9.158 -2.177 1.00 24.10 H new ATOM 0 HZ1 LYS A 20 -13.591 10.120 0.012 1.00 63.10 H new ATOM 0 HZ2 LYS A 20 -14.066 8.490 0.027 1.00 63.10 H new ATOM 0 HZ3 LYS A 20 -12.579 8.947 0.707 1.00 63.10 H new ATOM 176 N ALA A 21 -6.880 6.091 -2.189 1.00 22.30 N ATOM 177 CA ALA A 21 -5.549 6.598 -1.880 1.00 4.25 C ATOM 178 C ALA A 21 -4.925 7.279 -3.094 1.00 41.20 C ATOM 179 O ALA A 21 -4.495 8.429 -3.020 1.00 32.00 O ATOM 180 CB ALA A 21 -4.655 5.469 -1.390 1.00 74.40 C ATOM 0 H ALA A 21 -6.974 5.078 -2.113 1.00 22.30 H new ATOM 0 HA ALA A 21 -5.645 7.341 -1.088 1.00 4.25 H new ATOM 0 HB1 ALA A 21 -3.664 5.862 -1.163 1.00 74.40 H new ATOM 0 HB2 ALA A 21 -5.085 5.028 -0.491 1.00 74.40 H new ATOM 0 HB3 ALA A 21 -4.574 4.707 -2.165 1.00 74.40 H new ATOM 186 N ALA A 22 -4.881 6.560 -4.211 1.00 72.40 N ATOM 187 CA ALA A 22 -4.310 7.094 -5.441 1.00 52.30 C ATOM 188 C ALA A 22 -5.131 8.270 -5.962 1.00 2.53 C ATOM 189 O ALA A 22 -4.586 9.219 -6.525 1.00 52.50 O ATOM 190 CB ALA A 22 -4.218 6.003 -6.498 1.00 33.20 C ATOM 0 H ALA A 22 -5.234 5.606 -4.289 1.00 72.40 H new ATOM 0 HA ALA A 22 -3.306 7.455 -5.219 1.00 52.30 H new ATOM 0 HB1 ALA A 22 -3.790 6.416 -7.411 1.00 33.20 H new ATOM 0 HB2 ALA A 22 -3.584 5.195 -6.133 1.00 33.20 H new ATOM 0 HB3 ALA A 22 -5.215 5.615 -6.708 1.00 33.20 H new ATOM 196 N GLN A 23 -6.443 8.199 -5.769 1.00 34.10 N ATOM 197 CA GLN A 23 -7.340 9.258 -6.219 1.00 42.40 C ATOM 198 C GLN A 23 -6.994 10.584 -5.550 1.00 71.40 C ATOM 199 O GLN A 23 -7.172 11.651 -6.137 1.00 34.10 O ATOM 200 CB GLN A 23 -8.793 8.885 -5.919 1.00 42.00 C ATOM 201 CG GLN A 23 -9.806 9.742 -6.661 1.00 2.30 C ATOM 202 CD GLN A 23 -11.004 10.101 -5.806 1.00 30.40 C ATOM 203 OE1 GLN A 23 -11.961 9.333 -5.701 1.00 40.20 O ATOM 204 NE2 GLN A 23 -10.960 11.276 -5.186 1.00 13.30 N ATOM 0 H GLN A 23 -6.909 7.420 -5.304 1.00 34.10 H new ATOM 0 HA GLN A 23 -7.217 9.372 -7.296 1.00 42.40 H new ATOM 0 HB2 GLN A 23 -8.953 7.839 -6.181 1.00 42.00 H new ATOM 0 HB3 GLN A 23 -8.969 8.975 -4.847 1.00 42.00 H new ATOM 0 HG2 GLN A 23 -9.321 10.657 -7.003 1.00 2.30 H new ATOM 0 HG3 GLN A 23 -10.145 9.210 -7.550 1.00 2.30 H new ATOM 0 HE21 GLN A 23 -10.148 11.883 -5.300 1.00 13.30 H new ATOM 0 HE22 GLN A 23 -11.738 11.571 -4.596 1.00 13.30 H new ATOM 213 N GLU A 24 -6.499 10.509 -4.319 1.00 25.10 N ATOM 214 CA GLU A 24 -6.129 11.704 -3.570 1.00 20.00 C ATOM 215 C GLU A 24 -4.761 12.217 -4.008 1.00 74.20 C ATOM 216 O GLU A 24 -4.500 13.420 -3.980 1.00 14.10 O ATOM 217 CB GLU A 24 -6.118 11.407 -2.069 1.00 22.40 C ATOM 218 CG GLU A 24 -7.448 11.681 -1.386 1.00 74.30 C ATOM 219 CD GLU A 24 -8.459 10.574 -1.613 1.00 25.20 C ATOM 220 OE1 GLU A 24 -8.855 10.361 -2.779 1.00 2.13 O ATOM 221 OE2 GLU A 24 -8.854 9.920 -0.626 1.00 12.20 O ATOM 0 H GLU A 24 -6.345 9.633 -3.819 1.00 25.10 H new ATOM 0 HA GLU A 24 -6.870 12.476 -3.775 1.00 20.00 H new ATOM 0 HB2 GLU A 24 -5.849 10.362 -1.916 1.00 22.40 H new ATOM 0 HB3 GLU A 24 -5.344 12.009 -1.593 1.00 22.40 H new ATOM 0 HG2 GLU A 24 -7.284 11.804 -0.315 1.00 74.30 H new ATOM 0 HG3 GLU A 24 -7.855 12.622 -1.756 1.00 74.30 H new ATOM 228 N ASP A 25 -3.891 11.298 -4.414 1.00 42.40 N ATOM 229 CA ASP A 25 -2.549 11.659 -4.858 1.00 32.20 C ATOM 230 C ASP A 25 -2.607 12.596 -6.059 1.00 52.40 C ATOM 231 O ASP A 25 -1.852 13.566 -6.139 1.00 2.31 O ATOM 232 CB ASP A 25 -1.753 10.402 -5.216 1.00 42.50 C ATOM 233 CG ASP A 25 -0.263 10.666 -5.304 1.00 35.30 C ATOM 234 OD1 ASP A 25 0.175 11.267 -6.308 1.00 31.40 O ATOM 235 OD2 ASP A 25 0.466 10.274 -4.369 1.00 61.30 O ATOM 0 H ASP A 25 -4.091 10.298 -4.445 1.00 42.40 H new ATOM 0 HA ASP A 25 -2.050 12.177 -4.039 1.00 32.20 H new ATOM 0 HB2 ASP A 25 -1.939 9.632 -4.467 1.00 42.50 H new ATOM 0 HB3 ASP A 25 -2.107 10.011 -6.170 1.00 42.50 H new ATOM 240 N LYS A 26 -3.508 12.302 -6.991 1.00 54.50 N ATOM 241 CA LYS A 26 -3.665 13.120 -8.187 1.00 62.30 C ATOM 242 C LYS A 26 -4.511 14.355 -7.896 1.00 43.40 C ATOM 243 O LYS A 26 -4.305 15.414 -8.487 1.00 23.50 O ATOM 244 CB LYS A 26 -4.306 12.301 -9.310 1.00 13.20 C ATOM 245 CG LYS A 26 -3.297 11.597 -10.202 1.00 4.34 C ATOM 246 CD LYS A 26 -2.945 12.440 -11.411 1.00 13.10 C ATOM 247 CE LYS A 26 -1.635 13.184 -11.210 1.00 25.10 C ATOM 248 NZ LYS A 26 -0.488 12.475 -11.845 1.00 40.00 N ATOM 0 H LYS A 26 -4.140 11.503 -6.940 1.00 54.50 H new ATOM 0 HA LYS A 26 -2.675 13.448 -8.505 1.00 62.30 H new ATOM 0 HB2 LYS A 26 -4.972 11.558 -8.872 1.00 13.20 H new ATOM 0 HB3 LYS A 26 -4.922 12.959 -9.922 1.00 13.20 H new ATOM 0 HG2 LYS A 26 -2.394 11.381 -9.632 1.00 4.34 H new ATOM 0 HG3 LYS A 26 -3.704 10.640 -10.530 1.00 4.34 H new ATOM 0 HD2 LYS A 26 -2.871 11.802 -12.291 1.00 13.10 H new ATOM 0 HD3 LYS A 26 -3.745 13.155 -11.602 1.00 13.10 H new ATOM 0 HE2 LYS A 26 -1.719 14.186 -11.630 1.00 25.10 H new ATOM 0 HE3 LYS A 26 -1.444 13.300 -10.143 1.00 25.10 H new ATOM 0 HZ1 LYS A 26 0.386 13.015 -11.685 1.00 40.00 H new ATOM 0 HZ2 LYS A 26 -0.391 11.528 -11.427 1.00 40.00 H new ATOM 0 HZ3 LYS A 26 -0.658 12.386 -12.867 1.00 40.00 H new ATOM 262 N ALA A 27 -5.463 14.211 -6.981 1.00 11.50 N ATOM 263 CA ALA A 27 -6.341 15.314 -6.610 1.00 71.20 C ATOM 264 C ALA A 27 -5.565 16.419 -5.901 1.00 34.20 C ATOM 265 O ALA A 27 -5.848 17.603 -6.080 1.00 5.30 O ATOM 266 CB ALA A 27 -7.475 14.813 -5.728 1.00 34.20 C ATOM 0 H ALA A 27 -5.646 13.340 -6.482 1.00 11.50 H new ATOM 0 HA ALA A 27 -6.764 15.732 -7.524 1.00 71.20 H new ATOM 0 HB1 ALA A 27 -8.122 15.648 -5.459 1.00 34.20 H new ATOM 0 HB2 ALA A 27 -8.054 14.065 -6.269 1.00 34.20 H new ATOM 0 HB3 ALA A 27 -7.062 14.367 -4.823 1.00 34.20 H new ATOM 272 N GLY A 28 -4.585 16.023 -5.094 1.00 20.20 N ATOM 273 CA GLY A 28 -3.783 16.991 -4.370 1.00 23.10 C ATOM 274 C GLY A 28 -3.566 16.598 -2.922 1.00 30.50 C ATOM 275 O GLY A 28 -2.560 16.968 -2.316 1.00 23.40 O ATOM 0 H GLY A 28 -4.333 15.049 -4.929 1.00 20.20 H new ATOM 0 HA2 GLY A 28 -2.817 17.099 -4.863 1.00 23.10 H new ATOM 0 HA3 GLY A 28 -4.271 17.965 -4.410 1.00 23.10 H new ATOM 279 N ASN A 29 -4.509 15.844 -2.366 1.00 10.10 N ATOM 280 CA ASN A 29 -4.415 15.400 -0.980 1.00 41.40 C ATOM 281 C ASN A 29 -3.159 14.563 -0.761 1.00 33.40 C ATOM 282 O ASN A 29 -2.633 13.959 -1.695 1.00 21.30 O ATOM 283 CB ASN A 29 -5.655 14.590 -0.598 1.00 31.20 C ATOM 284 CG ASN A 29 -6.851 15.471 -0.295 1.00 3.15 C ATOM 285 OD1 ASN A 29 -6.726 16.692 -0.193 1.00 63.40 O ATOM 286 ND2 ASN A 29 -8.019 14.856 -0.151 1.00 20.30 N ATOM 0 H ASN A 29 -5.347 15.528 -2.854 1.00 10.10 H new ATOM 0 HA ASN A 29 -4.356 16.283 -0.344 1.00 41.40 H new ATOM 0 HB2 ASN A 29 -5.906 13.909 -1.412 1.00 31.20 H new ATOM 0 HB3 ASN A 29 -5.430 13.976 0.274 1.00 31.20 H new ATOM 0 HD21 ASN A 29 -8.859 15.398 0.053 1.00 20.30 H new ATOM 0 HD22 ASN A 29 -8.076 13.842 -0.244 1.00 20.30 H new ATOM 293 N TYR A 30 -2.685 14.532 0.481 1.00 21.20 N ATOM 294 CA TYR A 30 -1.490 13.769 0.823 1.00 60.30 C ATOM 295 C TYR A 30 -1.648 13.088 2.179 1.00 64.10 C ATOM 296 O TYR A 30 -1.353 11.902 2.328 1.00 32.20 O ATOM 297 CB TYR A 30 -0.263 14.682 0.838 1.00 54.40 C ATOM 298 CG TYR A 30 -0.028 15.403 -0.470 1.00 71.30 C ATOM 299 CD1 TYR A 30 0.009 14.708 -1.672 1.00 73.30 C ATOM 300 CD2 TYR A 30 0.155 16.780 -0.503 1.00 62.50 C ATOM 301 CE1 TYR A 30 0.223 15.365 -2.869 1.00 43.10 C ATOM 302 CE2 TYR A 30 0.369 17.444 -1.695 1.00 4.44 C ATOM 303 CZ TYR A 30 0.402 16.731 -2.875 1.00 62.30 C ATOM 304 OH TYR A 30 0.615 17.389 -4.066 1.00 40.30 O ATOM 0 H TYR A 30 -3.110 15.026 1.266 1.00 21.20 H new ATOM 0 HA TYR A 30 -1.352 12.999 0.064 1.00 60.30 H new ATOM 0 HB2 TYR A 30 -0.378 15.418 1.633 1.00 54.40 H new ATOM 0 HB3 TYR A 30 0.618 14.088 1.079 1.00 54.40 H new ATOM 0 HD1 TYR A 30 -0.132 13.637 -1.671 1.00 73.30 H new ATOM 0 HD2 TYR A 30 0.129 17.341 0.420 1.00 62.50 H new ATOM 0 HE1 TYR A 30 0.250 14.810 -3.795 1.00 43.10 H new ATOM 0 HE2 TYR A 30 0.510 18.515 -1.703 1.00 4.44 H new ATOM 0 HH TYR A 30 0.721 18.348 -3.895 1.00 40.30 H new ATOM 314 N GLU A 31 -2.117 13.847 3.165 1.00 23.50 N ATOM 315 CA GLU A 31 -2.313 13.317 4.510 1.00 2.42 C ATOM 316 C GLU A 31 -3.290 12.145 4.496 1.00 74.00 C ATOM 317 O GLU A 31 -2.994 11.071 5.021 1.00 71.10 O ATOM 318 CB GLU A 31 -2.828 14.415 5.442 1.00 64.20 C ATOM 319 CG GLU A 31 -2.279 14.318 6.856 1.00 24.40 C ATOM 320 CD GLU A 31 -3.047 13.331 7.714 1.00 53.50 C ATOM 321 OE1 GLU A 31 -4.238 13.092 7.421 1.00 42.20 O ATOM 322 OE2 GLU A 31 -2.459 12.799 8.679 1.00 3.24 O ATOM 0 H GLU A 31 -2.368 14.830 3.058 1.00 23.50 H new ATOM 0 HA GLU A 31 -1.351 12.960 4.877 1.00 2.42 H new ATOM 0 HB2 GLU A 31 -2.565 15.387 5.025 1.00 64.20 H new ATOM 0 HB3 GLU A 31 -3.916 14.368 5.479 1.00 64.20 H new ATOM 0 HG2 GLU A 31 -1.231 14.020 6.815 1.00 24.40 H new ATOM 0 HG3 GLU A 31 -2.312 15.302 7.323 1.00 24.40 H new ATOM 329 N GLU A 32 -4.455 12.359 3.894 1.00 30.10 N ATOM 330 CA GLU A 32 -5.475 11.320 3.813 1.00 73.40 C ATOM 331 C GLU A 32 -5.048 10.213 2.855 1.00 72.40 C ATOM 332 O GLU A 32 -5.390 9.046 3.048 1.00 22.10 O ATOM 333 CB GLU A 32 -6.808 11.918 3.358 1.00 4.21 C ATOM 334 CG GLU A 32 -6.692 12.788 2.116 1.00 10.50 C ATOM 335 CD GLU A 32 -6.652 14.268 2.444 1.00 2.35 C ATOM 336 OE1 GLU A 32 -7.736 14.875 2.582 1.00 14.40 O ATOM 337 OE2 GLU A 32 -5.538 14.821 2.562 1.00 1.23 O ATOM 0 H GLU A 32 -4.716 13.242 3.455 1.00 30.10 H new ATOM 0 HA GLU A 32 -5.599 10.889 4.807 1.00 73.40 H new ATOM 0 HB2 GLU A 32 -7.511 11.109 3.160 1.00 4.21 H new ATOM 0 HB3 GLU A 32 -7.226 12.513 4.170 1.00 4.21 H new ATOM 0 HG2 GLU A 32 -5.789 12.516 1.569 1.00 10.50 H new ATOM 0 HG3 GLU A 32 -7.537 12.588 1.456 1.00 10.50 H new ATOM 344 N ALA A 33 -4.298 10.586 1.824 1.00 71.30 N ATOM 345 CA ALA A 33 -3.822 9.625 0.837 1.00 65.40 C ATOM 346 C ALA A 33 -2.732 8.734 1.421 1.00 34.10 C ATOM 347 O ALA A 33 -2.626 7.557 1.076 1.00 73.00 O ATOM 348 CB ALA A 33 -3.311 10.348 -0.400 1.00 33.30 C ATOM 0 H ALA A 33 -4.007 11.548 1.650 1.00 71.30 H new ATOM 0 HA ALA A 33 -4.660 8.989 0.551 1.00 65.40 H new ATOM 0 HB1 ALA A 33 -2.959 9.618 -1.129 1.00 33.30 H new ATOM 0 HB2 ALA A 33 -4.118 10.936 -0.837 1.00 33.30 H new ATOM 0 HB3 ALA A 33 -2.490 11.009 -0.122 1.00 33.30 H new ATOM 354 N LEU A 34 -1.921 9.303 2.307 1.00 71.30 N ATOM 355 CA LEU A 34 -0.837 8.561 2.940 1.00 42.30 C ATOM 356 C LEU A 34 -1.386 7.453 3.832 1.00 60.50 C ATOM 357 O LEU A 34 -0.923 6.313 3.778 1.00 12.20 O ATOM 358 CB LEU A 34 0.043 9.505 3.762 1.00 3.12 C ATOM 359 CG LEU A 34 1.188 8.829 4.517 1.00 53.10 C ATOM 360 CD1 LEU A 34 2.112 8.106 3.550 1.00 54.30 C ATOM 361 CD2 LEU A 34 1.963 9.851 5.336 1.00 43.30 C ATOM 0 H LEU A 34 -1.994 10.276 2.603 1.00 71.30 H new ATOM 0 HA LEU A 34 -0.234 8.105 2.155 1.00 42.30 H new ATOM 0 HB2 LEU A 34 0.462 10.259 3.096 1.00 3.12 H new ATOM 0 HB3 LEU A 34 -0.586 10.030 4.481 1.00 3.12 H new ATOM 0 HG LEU A 34 0.763 8.093 5.199 1.00 53.10 H new ATOM 0 HD11 LEU A 34 2.921 7.631 4.106 1.00 54.30 H new ATOM 0 HD12 LEU A 34 1.549 7.346 3.008 1.00 54.30 H new ATOM 0 HD13 LEU A 34 2.530 8.822 2.842 1.00 54.30 H new ATOM 0 HD21 LEU A 34 2.774 9.352 5.867 1.00 43.30 H new ATOM 0 HD22 LEU A 34 2.376 10.611 4.673 1.00 43.30 H new ATOM 0 HD23 LEU A 34 1.294 10.323 6.056 1.00 43.30 H new ATOM 373 N GLN A 35 -2.376 7.794 4.650 1.00 53.10 N ATOM 374 CA GLN A 35 -2.988 6.827 5.553 1.00 74.10 C ATOM 375 C GLN A 35 -3.706 5.731 4.771 1.00 24.10 C ATOM 376 O GLN A 35 -3.651 4.558 5.136 1.00 51.40 O ATOM 377 CB GLN A 35 -3.972 7.527 6.493 1.00 53.30 C ATOM 378 CG GLN A 35 -3.309 8.505 7.449 1.00 62.10 C ATOM 379 CD GLN A 35 -2.866 7.847 8.741 1.00 74.30 C ATOM 380 OE1 GLN A 35 -3.267 6.724 9.049 1.00 44.50 O ATOM 381 NE2 GLN A 35 -2.034 8.544 9.506 1.00 0.35 N ATOM 0 H GLN A 35 -2.771 8.733 4.706 1.00 53.10 H new ATOM 0 HA GLN A 35 -2.196 6.367 6.144 1.00 74.10 H new ATOM 0 HB2 GLN A 35 -4.714 8.060 5.898 1.00 53.30 H new ATOM 0 HB3 GLN A 35 -4.508 6.774 7.071 1.00 53.30 H new ATOM 0 HG2 GLN A 35 -2.445 8.956 6.960 1.00 62.10 H new ATOM 0 HG3 GLN A 35 -4.004 9.313 7.677 1.00 62.10 H new ATOM 0 HE21 GLN A 35 -1.727 9.471 9.212 1.00 0.35 H new ATOM 0 HE22 GLN A 35 -1.702 8.152 10.387 1.00 0.35 H new ATOM 390 N LEU A 36 -4.379 6.124 3.695 1.00 64.10 N ATOM 391 CA LEU A 36 -5.107 5.175 2.861 1.00 31.40 C ATOM 392 C LEU A 36 -4.144 4.265 2.105 1.00 13.50 C ATOM 393 O LEU A 36 -4.443 3.095 1.862 1.00 34.30 O ATOM 394 CB LEU A 36 -6.007 5.919 1.871 1.00 75.40 C ATOM 395 CG LEU A 36 -7.145 6.720 2.507 1.00 1.41 C ATOM 396 CD1 LEU A 36 -7.482 7.934 1.656 1.00 62.20 C ATOM 397 CD2 LEU A 36 -8.372 5.841 2.695 1.00 41.40 C ATOM 0 H LEU A 36 -4.435 7.093 3.380 1.00 64.10 H new ATOM 0 HA LEU A 36 -5.727 4.558 3.512 1.00 31.40 H new ATOM 0 HB2 LEU A 36 -5.390 6.598 1.282 1.00 75.40 H new ATOM 0 HB3 LEU A 36 -6.436 5.195 1.178 1.00 75.40 H new ATOM 0 HG LEU A 36 -6.818 7.068 3.487 1.00 1.41 H new ATOM 0 HD11 LEU A 36 -8.293 8.492 2.123 1.00 62.20 H new ATOM 0 HD12 LEU A 36 -6.604 8.574 1.571 1.00 62.20 H new ATOM 0 HD13 LEU A 36 -7.791 7.608 0.663 1.00 62.20 H new ATOM 0 HD21 LEU A 36 -9.172 6.426 3.148 1.00 41.40 H new ATOM 0 HD22 LEU A 36 -8.702 5.464 1.727 1.00 41.40 H new ATOM 0 HD23 LEU A 36 -8.123 5.002 3.345 1.00 41.40 H new ATOM 409 N TYR A 37 -2.990 4.809 1.737 1.00 62.20 N ATOM 410 CA TYR A 37 -1.983 4.047 1.008 1.00 13.50 C ATOM 411 C TYR A 37 -1.519 2.843 1.822 1.00 64.20 C ATOM 412 O TYR A 37 -1.555 1.708 1.347 1.00 11.40 O ATOM 413 CB TYR A 37 -0.787 4.936 0.666 1.00 13.00 C ATOM 414 CG TYR A 37 -0.907 5.624 -0.675 1.00 1.44 C ATOM 415 CD1 TYR A 37 -1.239 4.906 -1.818 1.00 53.50 C ATOM 416 CD2 TYR A 37 -0.687 6.989 -0.800 1.00 44.30 C ATOM 417 CE1 TYR A 37 -1.349 5.530 -3.045 1.00 55.20 C ATOM 418 CE2 TYR A 37 -0.795 7.621 -2.024 1.00 22.50 C ATOM 419 CZ TYR A 37 -1.126 6.887 -3.144 1.00 52.20 C ATOM 420 OH TYR A 37 -1.235 7.512 -4.364 1.00 3.25 O ATOM 0 H TYR A 37 -2.728 5.775 1.932 1.00 62.20 H new ATOM 0 HA TYR A 37 -2.435 3.688 0.083 1.00 13.50 H new ATOM 0 HB2 TYR A 37 -0.673 5.691 1.443 1.00 13.00 H new ATOM 0 HB3 TYR A 37 0.119 4.330 0.674 1.00 13.00 H new ATOM 0 HD1 TYR A 37 -1.414 3.843 -1.745 1.00 53.50 H new ATOM 0 HD2 TYR A 37 -0.427 7.567 0.075 1.00 44.30 H new ATOM 0 HE1 TYR A 37 -1.609 4.958 -3.923 1.00 55.20 H new ATOM 0 HE2 TYR A 37 -0.621 8.684 -2.103 1.00 22.50 H new ATOM 0 HH TYR A 37 -1.235 6.840 -5.077 1.00 3.25 H new ATOM 430 N GLN A 38 -1.083 3.099 3.052 1.00 3.33 N ATOM 431 CA GLN A 38 -0.613 2.036 3.932 1.00 43.10 C ATOM 432 C GLN A 38 -1.734 1.051 4.244 1.00 43.00 C ATOM 433 O GLN A 38 -1.534 -0.164 4.212 1.00 64.00 O ATOM 434 CB GLN A 38 -0.063 2.628 5.232 1.00 62.10 C ATOM 435 CG GLN A 38 1.080 3.608 5.018 1.00 24.40 C ATOM 436 CD GLN A 38 1.604 4.184 6.319 1.00 41.40 C ATOM 437 OE1 GLN A 38 1.917 3.449 7.255 1.00 60.10 O ATOM 438 NE2 GLN A 38 1.700 5.506 6.383 1.00 50.00 N ATOM 0 H GLN A 38 -1.046 4.033 3.461 1.00 3.33 H new ATOM 0 HA GLN A 38 0.184 1.500 3.418 1.00 43.10 H new ATOM 0 HB2 GLN A 38 -0.870 3.134 5.761 1.00 62.10 H new ATOM 0 HB3 GLN A 38 0.280 1.817 5.874 1.00 62.10 H new ATOM 0 HG2 GLN A 38 1.893 3.104 4.494 1.00 24.40 H new ATOM 0 HG3 GLN A 38 0.742 4.421 4.375 1.00 24.40 H new ATOM 0 HE21 GLN A 38 1.429 6.076 5.582 1.00 50.00 H new ATOM 0 HE22 GLN A 38 2.045 5.952 7.233 1.00 50.00 H new ATOM 447 N HIS A 39 -2.915 1.582 4.544 1.00 22.40 N ATOM 448 CA HIS A 39 -4.069 0.748 4.860 1.00 74.00 C ATOM 449 C HIS A 39 -4.445 -0.135 3.675 1.00 4.34 C ATOM 450 O HIS A 39 -4.654 -1.338 3.826 1.00 13.00 O ATOM 451 CB HIS A 39 -5.261 1.622 5.259 1.00 41.30 C ATOM 452 CG HIS A 39 -5.139 2.211 6.629 1.00 64.40 C ATOM 453 ND1 HIS A 39 -6.163 2.899 7.246 1.00 23.30 N ATOM 454 CD2 HIS A 39 -4.106 2.214 7.504 1.00 22.30 C ATOM 455 CE1 HIS A 39 -5.764 3.300 8.441 1.00 5.14 C ATOM 456 NE2 HIS A 39 -4.520 2.896 8.621 1.00 13.40 N ATOM 0 H HIS A 39 -3.098 2.585 4.575 1.00 22.40 H new ATOM 0 HA HIS A 39 -3.802 0.104 5.698 1.00 74.00 H new ATOM 0 HB2 HIS A 39 -5.368 2.429 4.534 1.00 41.30 H new ATOM 0 HB3 HIS A 39 -6.172 1.025 5.209 1.00 41.30 H new ATOM 0 HD2 HIS A 39 -3.136 1.764 7.352 1.00 22.30 H new ATOM 0 HE1 HIS A 39 -6.355 3.862 9.149 1.00 5.14 H new ATOM 0 HE2 HIS A 39 -3.958 3.064 9.455 1.00 13.40 H new ATOM 465 N ALA A 40 -4.527 0.472 2.495 1.00 2.13 N ATOM 466 CA ALA A 40 -4.876 -0.260 1.283 1.00 23.50 C ATOM 467 C ALA A 40 -3.878 -1.379 1.009 1.00 72.40 C ATOM 468 O ALA A 40 -4.264 -2.523 0.768 1.00 11.10 O ATOM 469 CB ALA A 40 -4.944 0.690 0.096 1.00 22.40 C ATOM 0 H ALA A 40 -4.357 1.468 2.353 1.00 2.13 H new ATOM 0 HA ALA A 40 -5.856 -0.713 1.431 1.00 23.50 H new ATOM 0 HB1 ALA A 40 -5.205 0.131 -0.803 1.00 22.40 H new ATOM 0 HB2 ALA A 40 -5.701 1.452 0.283 1.00 22.40 H new ATOM 0 HB3 ALA A 40 -3.974 1.168 -0.043 1.00 22.40 H new ATOM 475 N VAL A 41 -2.593 -1.042 1.051 1.00 32.40 N ATOM 476 CA VAL A 41 -1.539 -2.019 0.808 1.00 54.30 C ATOM 477 C VAL A 41 -1.563 -3.123 1.860 1.00 61.10 C ATOM 478 O VAL A 41 -1.239 -4.275 1.573 1.00 21.50 O ATOM 479 CB VAL A 41 -0.147 -1.356 0.806 1.00 21.10 C ATOM 480 CG1 VAL A 41 0.922 -2.357 0.394 1.00 60.10 C ATOM 481 CG2 VAL A 41 -0.133 -0.141 -0.110 1.00 51.50 C ATOM 0 H VAL A 41 -2.257 -0.100 1.251 1.00 32.40 H new ATOM 0 HA VAL A 41 -1.727 -2.452 -0.175 1.00 54.30 H new ATOM 0 HB VAL A 41 0.075 -1.020 1.819 1.00 21.10 H new ATOM 0 HG11 VAL A 41 1.897 -1.870 0.399 1.00 60.10 H new ATOM 0 HG12 VAL A 41 0.929 -3.191 1.096 1.00 60.10 H new ATOM 0 HG13 VAL A 41 0.706 -2.728 -0.608 1.00 60.10 H new ATOM 0 HG21 VAL A 41 0.858 0.313 -0.097 1.00 51.50 H new ATOM 0 HG22 VAL A 41 -0.378 -0.449 -1.126 1.00 51.50 H new ATOM 0 HG23 VAL A 41 -0.869 0.585 0.237 1.00 51.50 H new ATOM 491 N GLN A 42 -1.948 -2.763 3.080 1.00 63.30 N ATOM 492 CA GLN A 42 -2.015 -3.723 4.175 1.00 35.10 C ATOM 493 C GLN A 42 -2.991 -4.851 3.852 1.00 24.10 C ATOM 494 O GLN A 42 -2.736 -6.014 4.165 1.00 14.40 O ATOM 495 CB GLN A 42 -2.437 -3.024 5.469 1.00 70.00 C ATOM 496 CG GLN A 42 -1.271 -2.451 6.258 1.00 63.20 C ATOM 497 CD GLN A 42 -1.419 -2.662 7.752 1.00 1.32 C ATOM 498 OE1 GLN A 42 -2.519 -2.574 8.297 1.00 3.54 O ATOM 499 NE2 GLN A 42 -0.308 -2.942 8.424 1.00 72.10 N ATOM 0 H GLN A 42 -2.218 -1.813 3.335 1.00 63.30 H new ATOM 0 HA GLN A 42 -1.022 -4.153 4.309 1.00 35.10 H new ATOM 0 HB2 GLN A 42 -3.132 -2.220 5.228 1.00 70.00 H new ATOM 0 HB3 GLN A 42 -2.976 -3.734 6.097 1.00 70.00 H new ATOM 0 HG2 GLN A 42 -0.345 -2.915 5.919 1.00 63.20 H new ATOM 0 HG3 GLN A 42 -1.187 -1.384 6.052 1.00 63.20 H new ATOM 0 HE21 GLN A 42 0.583 -3.005 7.932 1.00 72.10 H new ATOM 0 HE22 GLN A 42 -0.346 -3.094 9.432 1.00 72.10 H new ATOM 508 N TYR A 43 -4.108 -4.498 3.225 1.00 64.40 N ATOM 509 CA TYR A 43 -5.121 -5.482 2.860 1.00 64.30 C ATOM 510 C TYR A 43 -4.635 -6.364 1.716 1.00 33.20 C ATOM 511 O TYR A 43 -4.963 -7.549 1.648 1.00 14.20 O ATOM 512 CB TYR A 43 -6.422 -4.782 2.462 1.00 51.10 C ATOM 513 CG TYR A 43 -7.350 -4.520 3.627 1.00 12.50 C ATOM 514 CD1 TYR A 43 -7.199 -3.389 4.419 1.00 43.20 C ATOM 515 CD2 TYR A 43 -8.378 -5.403 3.933 1.00 54.00 C ATOM 516 CE1 TYR A 43 -8.044 -3.145 5.485 1.00 61.20 C ATOM 517 CE2 TYR A 43 -9.229 -5.167 4.997 1.00 20.10 C ATOM 518 CZ TYR A 43 -9.058 -4.037 5.768 1.00 50.20 C ATOM 519 OH TYR A 43 -9.902 -3.798 6.829 1.00 72.00 O ATOM 0 H TYR A 43 -4.335 -3.540 2.959 1.00 64.40 H new ATOM 0 HA TYR A 43 -5.307 -6.114 3.728 1.00 64.30 H new ATOM 0 HB2 TYR A 43 -6.182 -3.835 1.979 1.00 51.10 H new ATOM 0 HB3 TYR A 43 -6.942 -5.393 1.724 1.00 51.10 H new ATOM 0 HD1 TYR A 43 -6.408 -2.688 4.198 1.00 43.20 H new ATOM 0 HD2 TYR A 43 -8.515 -6.288 3.330 1.00 54.00 H new ATOM 0 HE1 TYR A 43 -7.912 -2.262 6.093 1.00 61.20 H new ATOM 0 HE2 TYR A 43 -10.023 -5.864 5.223 1.00 20.10 H new ATOM 0 HH TYR A 43 -10.561 -4.520 6.892 1.00 72.00 H new ATOM 529 N PHE A 44 -3.850 -5.778 0.819 1.00 34.40 N ATOM 530 CA PHE A 44 -3.316 -6.509 -0.323 1.00 3.11 C ATOM 531 C PHE A 44 -2.446 -7.676 0.135 1.00 41.40 C ATOM 532 O PHE A 44 -2.652 -8.816 -0.278 1.00 25.10 O ATOM 533 CB PHE A 44 -2.505 -5.568 -1.214 1.00 52.10 C ATOM 534 CG PHE A 44 -3.236 -5.136 -2.454 1.00 15.10 C ATOM 535 CD1 PHE A 44 -3.797 -6.074 -3.304 1.00 53.40 C ATOM 536 CD2 PHE A 44 -3.361 -3.792 -2.768 1.00 50.00 C ATOM 537 CE1 PHE A 44 -4.470 -5.681 -4.446 1.00 20.20 C ATOM 538 CE2 PHE A 44 -4.034 -3.393 -3.907 1.00 44.00 C ATOM 539 CZ PHE A 44 -4.588 -4.339 -4.747 1.00 3.32 C ATOM 0 H PHE A 44 -3.569 -4.798 0.861 1.00 34.40 H new ATOM 0 HA PHE A 44 -4.153 -6.911 -0.894 1.00 3.11 H new ATOM 0 HB2 PHE A 44 -2.229 -4.684 -0.639 1.00 52.10 H new ATOM 0 HB3 PHE A 44 -1.578 -6.063 -1.503 1.00 52.10 H new ATOM 0 HD1 PHE A 44 -3.708 -7.125 -3.072 1.00 53.40 H new ATOM 0 HD2 PHE A 44 -2.928 -3.048 -2.115 1.00 50.00 H new ATOM 0 HE1 PHE A 44 -4.903 -6.423 -5.101 1.00 20.20 H new ATOM 0 HE2 PHE A 44 -4.127 -2.343 -4.140 1.00 44.00 H new ATOM 0 HZ PHE A 44 -5.113 -4.029 -5.638 1.00 3.32 H new ATOM 549 N LEU A 45 -1.472 -7.380 0.990 1.00 55.40 N ATOM 550 CA LEU A 45 -0.570 -8.404 1.505 1.00 73.50 C ATOM 551 C LEU A 45 -1.294 -9.333 2.473 1.00 32.40 C ATOM 552 O LEU A 45 -0.951 -10.510 2.593 1.00 64.20 O ATOM 553 CB LEU A 45 0.627 -7.755 2.202 1.00 64.10 C ATOM 554 CG LEU A 45 1.950 -8.508 2.054 1.00 53.50 C ATOM 555 CD1 LEU A 45 2.352 -8.594 0.590 1.00 74.20 C ATOM 556 CD2 LEU A 45 3.042 -7.831 2.870 1.00 52.20 C ATOM 0 H LEU A 45 -1.287 -6.440 1.341 1.00 55.40 H new ATOM 0 HA LEU A 45 -0.214 -8.995 0.661 1.00 73.50 H new ATOM 0 HB2 LEU A 45 0.755 -6.747 1.808 1.00 64.10 H new ATOM 0 HB3 LEU A 45 0.400 -7.656 3.263 1.00 64.10 H new ATOM 0 HG LEU A 45 1.816 -9.521 2.433 1.00 53.50 H new ATOM 0 HD11 LEU A 45 3.295 -9.133 0.503 1.00 74.20 H new ATOM 0 HD12 LEU A 45 1.580 -9.122 0.031 1.00 74.20 H new ATOM 0 HD13 LEU A 45 2.470 -7.589 0.185 1.00 74.20 H new ATOM 0 HD21 LEU A 45 3.977 -8.380 2.753 1.00 52.20 H new ATOM 0 HD22 LEU A 45 3.176 -6.807 2.520 1.00 52.20 H new ATOM 0 HD23 LEU A 45 2.756 -7.820 3.922 1.00 52.20 H new ATOM 568 N HIS A 46 -2.299 -8.799 3.161 1.00 41.40 N ATOM 569 CA HIS A 46 -3.071 -9.581 4.118 1.00 32.00 C ATOM 570 C HIS A 46 -3.724 -10.782 3.443 1.00 70.20 C ATOM 571 O HIS A 46 -3.587 -11.916 3.901 1.00 42.20 O ATOM 572 CB HIS A 46 -4.142 -8.708 4.776 1.00 53.30 C ATOM 573 CG HIS A 46 -4.896 -9.404 5.866 1.00 22.10 C ATOM 574 ND1 HIS A 46 -4.647 -9.194 7.206 1.00 12.30 N ATOM 575 CD2 HIS A 46 -5.898 -10.313 5.811 1.00 3.45 C ATOM 576 CE1 HIS A 46 -5.464 -9.943 7.927 1.00 54.20 C ATOM 577 NE2 HIS A 46 -6.232 -10.631 7.103 1.00 4.15 N ATOM 0 H HIS A 46 -2.597 -7.827 3.073 1.00 41.40 H new ATOM 0 HA HIS A 46 -2.387 -9.946 4.884 1.00 32.00 H new ATOM 0 HB2 HIS A 46 -3.670 -7.815 5.185 1.00 53.30 H new ATOM 0 HB3 HIS A 46 -4.846 -8.375 4.014 1.00 53.30 H new ATOM 0 HD2 HIS A 46 -6.350 -10.713 4.916 1.00 3.45 H new ATOM 0 HE1 HIS A 46 -5.497 -9.985 9.006 1.00 54.20 H new ATOM 0 HE2 HIS A 46 -6.957 -11.292 7.382 1.00 4.15 H new ATOM 586 N VAL A 47 -4.435 -10.526 2.349 1.00 14.30 N ATOM 587 CA VAL A 47 -5.109 -11.586 1.610 1.00 61.10 C ATOM 588 C VAL A 47 -4.105 -12.547 0.989 1.00 13.10 C ATOM 589 O VAL A 47 -4.344 -13.749 0.932 1.00 12.30 O ATOM 590 CB VAL A 47 -6.009 -11.014 0.499 1.00 35.20 C ATOM 591 CG1 VAL A 47 -7.166 -10.229 1.097 1.00 1.32 C ATOM 592 CG2 VAL A 47 -5.198 -10.144 -0.449 1.00 62.00 C ATOM 0 H VAL A 47 -4.559 -9.593 1.955 1.00 14.30 H new ATOM 0 HA VAL A 47 -5.728 -12.125 2.327 1.00 61.10 H new ATOM 0 HB VAL A 47 -6.423 -11.846 -0.071 1.00 35.20 H new ATOM 0 HG11 VAL A 47 -7.790 -9.833 0.296 1.00 1.32 H new ATOM 0 HG12 VAL A 47 -7.762 -10.886 1.730 1.00 1.32 H new ATOM 0 HG13 VAL A 47 -6.776 -9.405 1.694 1.00 1.32 H new ATOM 0 HG21 VAL A 47 -5.850 -9.748 -1.228 1.00 62.00 H new ATOM 0 HG22 VAL A 47 -4.753 -9.318 0.106 1.00 62.00 H new ATOM 0 HG23 VAL A 47 -4.409 -10.741 -0.906 1.00 62.00 H new ATOM 602 N VAL A 48 -2.982 -12.007 0.525 1.00 74.40 N ATOM 603 CA VAL A 48 -1.941 -12.822 -0.090 1.00 52.50 C ATOM 604 C VAL A 48 -1.333 -13.784 0.920 1.00 43.30 C ATOM 605 O VAL A 48 -0.979 -14.919 0.581 1.00 62.30 O ATOM 606 CB VAL A 48 -0.823 -11.946 -0.688 1.00 70.40 C ATOM 607 CG1 VAL A 48 0.183 -12.804 -1.443 1.00 71.40 C ATOM 608 CG2 VAL A 48 -1.409 -10.874 -1.595 1.00 71.40 C ATOM 0 H VAL A 48 -2.770 -11.010 0.563 1.00 74.40 H new ATOM 0 HA VAL A 48 -2.413 -13.391 -0.891 1.00 52.50 H new ATOM 0 HB VAL A 48 -0.300 -11.450 0.130 1.00 70.40 H new ATOM 0 HG11 VAL A 48 0.965 -12.168 -1.858 1.00 71.40 H new ATOM 0 HG12 VAL A 48 0.628 -13.528 -0.761 1.00 71.40 H new ATOM 0 HG13 VAL A 48 -0.323 -13.331 -2.252 1.00 71.40 H new ATOM 0 HG21 VAL A 48 -0.604 -10.266 -2.007 1.00 71.40 H new ATOM 0 HG22 VAL A 48 -1.960 -11.347 -2.408 1.00 71.40 H new ATOM 0 HG23 VAL A 48 -2.084 -10.240 -1.020 1.00 71.40 H new ATOM 618 N LYS A 49 -1.208 -13.336 2.164 1.00 63.20 N ATOM 619 CA LYS A 49 -0.642 -14.156 3.225 1.00 3.31 C ATOM 620 C LYS A 49 -1.589 -15.292 3.602 1.00 12.10 C ATOM 621 O LYS A 49 -1.154 -16.375 4.000 1.00 55.10 O ATOM 622 CB LYS A 49 -0.335 -13.300 4.454 1.00 63.10 C ATOM 623 CG LYS A 49 0.867 -12.388 4.276 1.00 1.24 C ATOM 624 CD LYS A 49 1.068 -11.486 5.484 1.00 70.10 C ATOM 625 CE LYS A 49 -0.129 -10.583 5.709 1.00 33.20 C ATOM 626 NZ LYS A 49 0.171 -9.504 6.687 1.00 70.40 N ATOM 0 H LYS A 49 -1.493 -12.403 2.462 1.00 63.20 H new ATOM 0 HA LYS A 49 0.286 -14.591 2.855 1.00 3.31 H new ATOM 0 HB2 LYS A 49 -1.209 -12.693 4.691 1.00 63.10 H new ATOM 0 HB3 LYS A 49 -0.160 -13.955 5.308 1.00 63.10 H new ATOM 0 HG2 LYS A 49 1.762 -12.990 4.118 1.00 1.24 H new ATOM 0 HG3 LYS A 49 0.732 -11.777 3.383 1.00 1.24 H new ATOM 0 HD2 LYS A 49 1.236 -12.097 6.371 1.00 70.10 H new ATOM 0 HD3 LYS A 49 1.962 -10.878 5.341 1.00 70.10 H new ATOM 0 HE2 LYS A 49 -0.434 -10.140 4.761 1.00 33.20 H new ATOM 0 HE3 LYS A 49 -0.970 -11.176 6.068 1.00 33.20 H new ATOM 0 HZ1 LYS A 49 -0.671 -8.907 6.815 1.00 70.40 H new ATOM 0 HZ2 LYS A 49 0.438 -9.927 7.599 1.00 70.40 H new ATOM 0 HZ3 LYS A 49 0.957 -8.922 6.332 1.00 70.40 H new ATOM 640 N TYR A 50 -2.887 -15.038 3.475 1.00 13.10 N ATOM 641 CA TYR A 50 -3.902 -16.031 3.803 1.00 52.40 C ATOM 642 C TYR A 50 -4.735 -16.392 2.578 1.00 2.33 C ATOM 643 O TYR A 50 -5.913 -16.732 2.695 1.00 62.20 O ATOM 644 CB TYR A 50 -4.808 -15.519 4.923 1.00 52.00 C ATOM 645 CG TYR A 50 -4.063 -15.166 6.191 1.00 24.10 C ATOM 646 CD1 TYR A 50 -3.153 -14.116 6.213 1.00 1.13 C ATOM 647 CD2 TYR A 50 -4.271 -15.880 7.365 1.00 34.30 C ATOM 648 CE1 TYR A 50 -2.469 -13.793 7.369 1.00 55.00 C ATOM 649 CE2 TYR A 50 -3.593 -15.560 8.526 1.00 35.20 C ATOM 650 CZ TYR A 50 -2.697 -14.509 8.522 1.00 22.50 C ATOM 651 OH TYR A 50 -2.019 -14.189 9.676 1.00 75.30 O ATOM 0 H TYR A 50 -3.262 -14.148 3.146 1.00 13.10 H new ATOM 0 HA TYR A 50 -3.391 -16.931 4.145 1.00 52.40 H new ATOM 0 HB2 TYR A 50 -5.345 -14.639 4.570 1.00 52.00 H new ATOM 0 HB3 TYR A 50 -5.555 -16.279 5.150 1.00 52.00 H new ATOM 0 HD1 TYR A 50 -2.978 -13.544 5.314 1.00 1.13 H new ATOM 0 HD2 TYR A 50 -4.975 -16.699 7.370 1.00 34.30 H new ATOM 0 HE1 TYR A 50 -1.757 -12.981 7.368 1.00 55.00 H new ATOM 0 HE2 TYR A 50 -3.762 -16.127 9.429 1.00 35.20 H new ATOM 0 HH TYR A 50 -2.298 -14.791 10.397 1.00 75.30 H new ATOM 661 N GLU A 51 -4.125 -16.294 1.401 1.00 74.10 N ATOM 662 CA GLU A 51 -4.814 -16.605 0.153 1.00 30.20 C ATOM 663 C GLU A 51 -3.871 -16.461 -1.039 1.00 14.10 C ATOM 664 O GLU A 51 -3.895 -15.451 -1.739 1.00 64.30 O ATOM 665 CB GLU A 51 -6.025 -15.689 -0.023 1.00 22.00 C ATOM 666 CG GLU A 51 -7.192 -16.368 -0.725 1.00 20.40 C ATOM 667 CD GLU A 51 -8.045 -17.188 0.220 1.00 0.22 C ATOM 668 OE1 GLU A 51 -7.467 -17.983 0.999 1.00 42.50 O ATOM 669 OE2 GLU A 51 -9.285 -17.043 0.182 1.00 22.40 O ATOM 0 H GLU A 51 -3.155 -16.002 1.285 1.00 74.10 H new ATOM 0 HA GLU A 51 -5.154 -17.640 0.199 1.00 30.20 H new ATOM 0 HB2 GLU A 51 -6.352 -15.338 0.956 1.00 22.00 H new ATOM 0 HB3 GLU A 51 -5.728 -14.810 -0.594 1.00 22.00 H new ATOM 0 HG2 GLU A 51 -7.813 -15.611 -1.204 1.00 20.40 H new ATOM 0 HG3 GLU A 51 -6.809 -17.014 -1.516 1.00 20.40 H new ATOM 676 N ALA A 52 -3.044 -17.476 -1.262 1.00 4.14 N ATOM 677 CA ALA A 52 -2.097 -17.457 -2.369 1.00 32.20 C ATOM 678 C ALA A 52 -2.465 -18.489 -3.425 1.00 14.20 C ATOM 679 O ALA A 52 -2.223 -19.681 -3.253 1.00 24.30 O ATOM 680 CB ALA A 52 -0.687 -17.709 -1.859 1.00 22.30 C ATOM 0 H ALA A 52 -3.011 -18.321 -0.692 1.00 4.14 H new ATOM 0 HA ALA A 52 -2.138 -16.471 -2.831 1.00 32.20 H new ATOM 0 HB1 ALA A 52 0.011 -17.692 -2.696 1.00 22.30 H new ATOM 0 HB2 ALA A 52 -0.415 -16.933 -1.144 1.00 22.30 H new ATOM 0 HB3 ALA A 52 -0.645 -18.683 -1.371 1.00 22.30 H new ATOM 686 N GLN A 53 -3.056 -18.012 -4.517 1.00 51.20 N ATOM 687 CA GLN A 53 -3.466 -18.898 -5.606 1.00 72.30 C ATOM 688 C GLN A 53 -2.289 -19.207 -6.530 1.00 55.40 C ATOM 689 O GLN A 53 -1.866 -20.355 -6.653 1.00 40.00 O ATOM 690 CB GLN A 53 -4.609 -18.263 -6.408 1.00 14.30 C ATOM 691 CG GLN A 53 -5.616 -19.272 -6.926 1.00 44.30 C ATOM 692 CD GLN A 53 -6.892 -18.610 -7.423 1.00 2.11 C ATOM 693 OE1 GLN A 53 -7.309 -18.826 -8.557 1.00 70.20 O ATOM 694 NE2 GLN A 53 -7.514 -17.805 -6.571 1.00 70.30 N ATOM 0 H GLN A 53 -3.261 -17.025 -4.672 1.00 51.20 H new ATOM 0 HA GLN A 53 -3.815 -19.833 -5.168 1.00 72.30 H new ATOM 0 HB2 GLN A 53 -5.124 -17.537 -5.779 1.00 14.30 H new ATOM 0 HB3 GLN A 53 -4.190 -17.714 -7.251 1.00 14.30 H new ATOM 0 HG2 GLN A 53 -5.168 -19.846 -7.737 1.00 44.30 H new ATOM 0 HG3 GLN A 53 -5.861 -19.978 -6.133 1.00 44.30 H new ATOM 0 HE21 GLN A 53 -7.130 -17.655 -5.638 1.00 70.30 H new ATOM 0 HE22 GLN A 53 -8.376 -17.336 -6.849 1.00 70.30 H new ATOM 703 N GLY A 54 -1.764 -18.168 -7.175 1.00 33.10 N ATOM 704 CA GLY A 54 -0.648 -18.349 -8.083 1.00 13.00 C ATOM 705 C GLY A 54 0.405 -17.270 -7.919 1.00 32.50 C ATOM 706 O GLY A 54 0.403 -16.527 -6.932 1.00 25.50 O ATOM 0 H GLY A 54 -2.092 -17.206 -7.084 1.00 33.10 H new ATOM 0 HA2 GLY A 54 -0.195 -19.325 -7.910 1.00 13.00 H new ATOM 0 HA3 GLY A 54 -1.013 -18.345 -9.110 1.00 13.00 H new ATOM 710 N ASP A 55 1.311 -17.181 -8.887 1.00 75.40 N ATOM 711 CA ASP A 55 2.376 -16.185 -8.848 1.00 74.00 C ATOM 712 C ASP A 55 1.927 -14.884 -9.507 1.00 21.20 C ATOM 713 O ASP A 55 2.354 -13.791 -9.117 1.00 1.04 O ATOM 714 CB ASP A 55 3.628 -16.717 -9.545 1.00 2.01 C ATOM 715 CG ASP A 55 4.884 -15.993 -9.103 1.00 21.00 C ATOM 716 OD1 ASP A 55 5.457 -16.382 -8.061 1.00 21.40 O ATOM 717 OD2 ASP A 55 5.298 -15.039 -9.799 1.00 72.20 O ATOM 0 H ASP A 55 1.329 -17.786 -9.708 1.00 75.40 H new ATOM 0 HA ASP A 55 2.610 -15.981 -7.803 1.00 74.00 H new ATOM 0 HB2 ASP A 55 3.733 -17.782 -9.336 1.00 2.01 H new ATOM 0 HB3 ASP A 55 3.512 -16.613 -10.624 1.00 2.01 H new ATOM 722 N LYS A 56 1.062 -14.992 -10.504 1.00 33.40 N ATOM 723 CA LYS A 56 0.554 -13.828 -11.220 1.00 71.00 C ATOM 724 C LYS A 56 -0.181 -12.892 -10.271 1.00 74.30 C ATOM 725 O LYS A 56 -0.051 -11.670 -10.363 1.00 45.50 O ATOM 726 CB LYS A 56 -0.371 -14.262 -12.351 1.00 31.30 C ATOM 727 CG LYS A 56 0.282 -15.190 -13.362 1.00 62.40 C ATOM 728 CD LYS A 56 0.796 -14.421 -14.570 1.00 32.30 C ATOM 729 CE LYS A 56 0.585 -15.211 -15.855 1.00 10.30 C ATOM 730 NZ LYS A 56 0.215 -14.330 -16.993 1.00 51.10 N ATOM 0 H LYS A 56 0.693 -15.882 -10.839 1.00 33.40 H new ATOM 0 HA LYS A 56 1.402 -13.292 -11.646 1.00 71.00 H new ATOM 0 HB2 LYS A 56 -1.241 -14.761 -11.924 1.00 31.30 H new ATOM 0 HB3 LYS A 56 -0.735 -13.375 -12.869 1.00 31.30 H new ATOM 0 HG2 LYS A 56 1.107 -15.722 -12.889 1.00 62.40 H new ATOM 0 HG3 LYS A 56 -0.438 -15.941 -13.686 1.00 62.40 H new ATOM 0 HD2 LYS A 56 0.282 -13.463 -14.640 1.00 32.30 H new ATOM 0 HD3 LYS A 56 1.857 -14.205 -14.443 1.00 32.30 H new ATOM 0 HE2 LYS A 56 1.497 -15.756 -16.100 1.00 10.30 H new ATOM 0 HE3 LYS A 56 -0.199 -15.953 -15.701 1.00 10.30 H new ATOM 0 HZ1 LYS A 56 0.080 -14.906 -17.848 1.00 51.10 H new ATOM 0 HZ2 LYS A 56 -0.668 -13.828 -16.771 1.00 51.10 H new ATOM 0 HZ3 LYS A 56 0.974 -13.638 -17.157 1.00 51.10 H new ATOM 744 N ALA A 57 -0.964 -13.465 -9.364 1.00 64.20 N ATOM 745 CA ALA A 57 -1.720 -12.685 -8.397 1.00 52.10 C ATOM 746 C ALA A 57 -0.801 -11.996 -7.400 1.00 35.10 C ATOM 747 O ALA A 57 -0.933 -10.809 -7.129 1.00 5.32 O ATOM 748 CB ALA A 57 -2.724 -13.570 -7.672 1.00 24.10 C ATOM 0 H ALA A 57 -1.091 -14.474 -9.280 1.00 64.20 H new ATOM 0 HA ALA A 57 -2.261 -11.911 -8.941 1.00 52.10 H new ATOM 0 HB1 ALA A 57 -3.282 -12.972 -6.952 1.00 24.10 H new ATOM 0 HB2 ALA A 57 -3.414 -14.005 -8.395 1.00 24.10 H new ATOM 0 HB3 ALA A 57 -2.195 -14.367 -7.150 1.00 24.10 H new ATOM 754 N LYS A 58 0.138 -12.759 -6.852 1.00 52.20 N ATOM 755 CA LYS A 58 1.087 -12.226 -5.881 1.00 22.00 C ATOM 756 C LYS A 58 2.042 -11.236 -6.539 1.00 12.10 C ATOM 757 O LYS A 58 2.489 -10.282 -5.908 1.00 74.00 O ATOM 758 CB LYS A 58 1.884 -13.370 -5.234 1.00 52.10 C ATOM 759 CG LYS A 58 1.008 -14.460 -4.645 1.00 3.15 C ATOM 760 CD LYS A 58 1.726 -15.804 -4.634 1.00 71.20 C ATOM 761 CE LYS A 58 2.458 -16.031 -3.322 1.00 51.20 C ATOM 762 NZ LYS A 58 3.424 -14.939 -3.026 1.00 52.50 N ATOM 0 H LYS A 58 0.263 -13.749 -7.064 1.00 52.20 H new ATOM 0 HA LYS A 58 0.523 -11.701 -5.110 1.00 22.00 H new ATOM 0 HB2 LYS A 58 2.545 -13.810 -5.981 1.00 52.10 H new ATOM 0 HB3 LYS A 58 2.519 -12.961 -4.448 1.00 52.10 H new ATOM 0 HG2 LYS A 58 0.722 -14.190 -3.628 1.00 3.15 H new ATOM 0 HG3 LYS A 58 0.088 -14.542 -5.224 1.00 3.15 H new ATOM 0 HD2 LYS A 58 1.004 -16.605 -4.793 1.00 71.20 H new ATOM 0 HD3 LYS A 58 2.436 -15.846 -5.460 1.00 71.20 H new ATOM 0 HE2 LYS A 58 1.734 -16.104 -2.511 1.00 51.20 H new ATOM 0 HE3 LYS A 58 2.988 -16.983 -3.363 1.00 51.20 H new ATOM 0 HZ1 LYS A 58 4.116 -15.269 -2.323 1.00 52.50 H new ATOM 0 HZ2 LYS A 58 3.919 -14.668 -3.899 1.00 52.50 H new ATOM 0 HZ3 LYS A 58 2.913 -14.116 -2.648 1.00 52.50 H new ATOM 776 N GLN A 59 2.350 -11.473 -7.808 1.00 23.10 N ATOM 777 CA GLN A 59 3.255 -10.607 -8.552 1.00 63.50 C ATOM 778 C GLN A 59 2.609 -9.250 -8.809 1.00 74.30 C ATOM 779 O GLN A 59 3.292 -8.227 -8.865 1.00 64.30 O ATOM 780 CB GLN A 59 3.649 -11.257 -9.879 1.00 13.20 C ATOM 781 CG GLN A 59 4.877 -12.138 -9.783 1.00 53.40 C ATOM 782 CD GLN A 59 6.160 -11.401 -10.112 1.00 30.20 C ATOM 783 OE1 GLN A 59 6.530 -11.269 -11.279 1.00 53.10 O ATOM 784 NE2 GLN A 59 6.837 -10.901 -9.085 1.00 14.10 N ATOM 0 H GLN A 59 1.985 -12.260 -8.344 1.00 23.10 H new ATOM 0 HA GLN A 59 4.153 -10.459 -7.952 1.00 63.50 H new ATOM 0 HB2 GLN A 59 2.813 -11.853 -10.244 1.00 13.20 H new ATOM 0 HB3 GLN A 59 3.830 -10.475 -10.617 1.00 13.20 H new ATOM 0 HG2 GLN A 59 4.947 -12.546 -8.775 1.00 53.40 H new ATOM 0 HG3 GLN A 59 4.765 -12.983 -10.462 1.00 53.40 H new ATOM 0 HE21 GLN A 59 6.493 -11.035 -8.134 1.00 14.10 H new ATOM 0 HE22 GLN A 59 7.701 -10.383 -9.247 1.00 14.10 H new ATOM 793 N SER A 60 1.290 -9.248 -8.965 1.00 44.50 N ATOM 794 CA SER A 60 0.552 -8.016 -9.216 1.00 53.30 C ATOM 795 C SER A 60 0.458 -7.170 -7.950 1.00 42.40 C ATOM 796 O SER A 60 0.843 -6.001 -7.943 1.00 32.40 O ATOM 797 CB SER A 60 -0.851 -8.333 -9.735 1.00 75.00 C ATOM 798 OG SER A 60 -1.302 -7.335 -10.633 1.00 32.00 O ATOM 0 H SER A 60 0.710 -10.086 -8.922 1.00 44.50 H new ATOM 0 HA SER A 60 1.092 -7.447 -9.973 1.00 53.30 H new ATOM 0 HB2 SER A 60 -0.846 -9.301 -10.236 1.00 75.00 H new ATOM 0 HB3 SER A 60 -1.543 -8.411 -8.896 1.00 75.00 H new ATOM 0 HG SER A 60 -2.200 -7.563 -10.951 1.00 32.00 H new ATOM 804 N ILE A 61 -0.056 -7.769 -6.881 1.00 11.30 N ATOM 805 CA ILE A 61 -0.201 -7.071 -5.609 1.00 51.20 C ATOM 806 C ILE A 61 1.148 -6.581 -5.094 1.00 13.50 C ATOM 807 O ILE A 61 1.254 -5.483 -4.549 1.00 62.40 O ATOM 808 CB ILE A 61 -0.849 -7.974 -4.542 1.00 32.10 C ATOM 809 CG1 ILE A 61 -0.058 -9.276 -4.395 1.00 21.10 C ATOM 810 CG2 ILE A 61 -2.298 -8.264 -4.904 1.00 55.10 C ATOM 811 CD1 ILE A 61 0.938 -9.252 -3.257 1.00 12.20 C ATOM 0 H ILE A 61 -0.379 -8.736 -6.870 1.00 11.30 H new ATOM 0 HA ILE A 61 -0.850 -6.215 -5.791 1.00 51.20 H new ATOM 0 HB ILE A 61 -0.832 -7.452 -3.585 1.00 32.10 H new ATOM 0 HG12 ILE A 61 -0.755 -10.100 -4.240 1.00 21.10 H new ATOM 0 HG13 ILE A 61 0.471 -9.477 -5.326 1.00 21.10 H new ATOM 0 HG21 ILE A 61 -2.743 -8.903 -4.141 1.00 55.10 H new ATOM 0 HG22 ILE A 61 -2.853 -7.328 -4.962 1.00 55.10 H new ATOM 0 HG23 ILE A 61 -2.338 -8.769 -5.869 1.00 55.10 H new ATOM 0 HD11 ILE A 61 1.462 -10.207 -3.212 1.00 12.20 H new ATOM 0 HD12 ILE A 61 1.658 -8.450 -3.420 1.00 12.20 H new ATOM 0 HD13 ILE A 61 0.413 -9.082 -2.317 1.00 12.20 H new ATOM 823 N ARG A 62 2.177 -7.405 -5.269 1.00 70.10 N ATOM 824 CA ARG A 62 3.519 -7.055 -4.822 1.00 44.10 C ATOM 825 C ARG A 62 4.017 -5.797 -5.526 1.00 20.40 C ATOM 826 O ARG A 62 4.424 -4.831 -4.880 1.00 1.43 O ATOM 827 CB ARG A 62 4.484 -8.213 -5.079 1.00 72.30 C ATOM 828 CG ARG A 62 4.538 -9.213 -3.941 1.00 30.40 C ATOM 829 CD ARG A 62 5.902 -9.888 -3.858 1.00 75.10 C ATOM 830 NE ARG A 62 5.890 -11.224 -4.445 1.00 50.00 N ATOM 831 CZ ARG A 62 6.986 -11.876 -4.820 1.00 4.24 C ATOM 832 NH1 ARG A 62 8.183 -11.322 -4.669 1.00 24.40 N ATOM 833 NH2 ARG A 62 6.888 -13.092 -5.344 1.00 35.10 N ATOM 0 H ARG A 62 2.106 -8.319 -5.717 1.00 70.10 H new ATOM 0 HA ARG A 62 3.477 -6.857 -3.751 1.00 44.10 H new ATOM 0 HB2 ARG A 62 4.187 -8.728 -5.992 1.00 72.30 H new ATOM 0 HB3 ARG A 62 5.483 -7.813 -5.249 1.00 72.30 H new ATOM 0 HG2 ARG A 62 4.323 -8.707 -3.000 1.00 30.40 H new ATOM 0 HG3 ARG A 62 3.765 -9.968 -4.081 1.00 30.40 H new ATOM 0 HD2 ARG A 62 6.642 -9.274 -4.371 1.00 75.10 H new ATOM 0 HD3 ARG A 62 6.211 -9.954 -2.815 1.00 75.10 H new ATOM 0 HE ARG A 62 4.989 -11.684 -4.575 1.00 50.00 H new ATOM 0 HH11 ARG A 62 8.266 -10.390 -4.263 1.00 24.40 H new ATOM 0 HH12 ARG A 62 9.020 -11.828 -4.959 1.00 24.40 H new ATOM 0 HH21 ARG A 62 5.972 -13.526 -5.459 1.00 35.10 H new ATOM 0 HH22 ARG A 62 7.729 -13.593 -5.632 1.00 35.10 H new ATOM 847 N ALA A 63 3.981 -5.815 -6.854 1.00 33.20 N ATOM 848 CA ALA A 63 4.428 -4.675 -7.646 1.00 2.31 C ATOM 849 C ALA A 63 3.620 -3.426 -7.309 1.00 3.43 C ATOM 850 O ALA A 63 4.147 -2.314 -7.313 1.00 51.20 O ATOM 851 CB ALA A 63 4.322 -4.990 -9.131 1.00 34.30 C ATOM 0 H ALA A 63 3.647 -6.606 -7.404 1.00 33.20 H new ATOM 0 HA ALA A 63 5.472 -4.479 -7.402 1.00 2.31 H new ATOM 0 HB1 ALA A 63 4.659 -4.130 -9.710 1.00 34.30 H new ATOM 0 HB2 ALA A 63 4.946 -5.853 -9.365 1.00 34.30 H new ATOM 0 HB3 ALA A 63 3.285 -5.213 -9.383 1.00 34.30 H new ATOM 857 N LYS A 64 2.339 -3.619 -7.015 1.00 71.20 N ATOM 858 CA LYS A 64 1.457 -2.510 -6.674 1.00 21.20 C ATOM 859 C LYS A 64 1.719 -2.024 -5.251 1.00 75.30 C ATOM 860 O LYS A 64 1.551 -0.844 -4.947 1.00 33.00 O ATOM 861 CB LYS A 64 -0.007 -2.930 -6.819 1.00 0.12 C ATOM 862 CG LYS A 64 -0.562 -2.722 -8.219 1.00 3.12 C ATOM 863 CD LYS A 64 -1.534 -3.827 -8.603 1.00 64.10 C ATOM 864 CE LYS A 64 -2.974 -3.418 -8.338 1.00 60.30 C ATOM 865 NZ LYS A 64 -3.477 -2.457 -9.358 1.00 55.30 N ATOM 0 H LYS A 64 1.888 -4.534 -7.006 1.00 71.20 H new ATOM 0 HA LYS A 64 1.663 -1.691 -7.363 1.00 21.20 H new ATOM 0 HB2 LYS A 64 -0.103 -3.982 -6.551 1.00 0.12 H new ATOM 0 HB3 LYS A 64 -0.611 -2.364 -6.110 1.00 0.12 H new ATOM 0 HG2 LYS A 64 -1.067 -1.757 -8.272 1.00 3.12 H new ATOM 0 HG3 LYS A 64 0.258 -2.692 -8.936 1.00 3.12 H new ATOM 0 HD2 LYS A 64 -1.412 -4.070 -9.659 1.00 64.10 H new ATOM 0 HD3 LYS A 64 -1.301 -4.730 -8.039 1.00 64.10 H new ATOM 0 HE2 LYS A 64 -3.608 -4.305 -8.332 1.00 60.30 H new ATOM 0 HE3 LYS A 64 -3.047 -2.967 -7.348 1.00 60.30 H new ATOM 0 HZ1 LYS A 64 -4.201 -1.845 -8.931 1.00 55.30 H new ATOM 0 HZ2 LYS A 64 -2.689 -1.873 -9.703 1.00 55.30 H new ATOM 0 HZ3 LYS A 64 -3.893 -2.982 -10.154 1.00 55.30 H new ATOM 879 N CYS A 65 2.134 -2.943 -4.385 1.00 72.10 N ATOM 880 CA CYS A 65 2.421 -2.608 -2.995 1.00 21.30 C ATOM 881 C CYS A 65 3.654 -1.716 -2.895 1.00 74.30 C ATOM 882 O CYS A 65 3.754 -0.875 -2.001 1.00 21.10 O ATOM 883 CB CYS A 65 2.630 -3.882 -2.175 1.00 43.00 C ATOM 884 SG CYS A 65 1.098 -4.730 -1.724 1.00 41.20 S ATOM 0 H CYS A 65 2.279 -3.925 -4.621 1.00 72.10 H new ATOM 0 HA CYS A 65 1.567 -2.063 -2.594 1.00 21.30 H new ATOM 0 HB2 CYS A 65 3.258 -4.568 -2.743 1.00 43.00 H new ATOM 0 HB3 CYS A 65 3.175 -3.630 -1.265 1.00 43.00 H new ATOM 0 HG CYS A 65 0.633 -5.365 -2.759 1.00 41.20 H new ATOM 890 N THR A 66 4.591 -1.905 -3.818 1.00 62.40 N ATOM 891 CA THR A 66 5.817 -1.117 -3.836 1.00 43.30 C ATOM 892 C THR A 66 5.549 0.296 -4.342 1.00 42.50 C ATOM 893 O THR A 66 6.000 1.276 -3.748 1.00 11.40 O ATOM 894 CB THR A 66 6.871 -1.794 -4.715 1.00 53.20 C ATOM 895 OG1 THR A 66 7.122 -3.114 -4.269 1.00 15.20 O ATOM 896 CG2 THR A 66 8.192 -1.057 -4.739 1.00 52.20 C ATOM 0 H THR A 66 4.524 -2.598 -4.564 1.00 62.40 H new ATOM 0 HA THR A 66 6.192 -1.053 -2.815 1.00 43.30 H new ATOM 0 HB THR A 66 6.454 -1.791 -5.722 1.00 53.20 H new ATOM 0 HG1 THR A 66 6.332 -3.670 -4.432 1.00 15.20 H new ATOM 0 HG21 THR A 66 8.894 -1.590 -5.380 1.00 52.20 H new ATOM 0 HG22 THR A 66 8.040 -0.050 -5.126 1.00 52.20 H new ATOM 0 HG23 THR A 66 8.595 -1.000 -3.728 1.00 52.20 H new ATOM 904 N GLU A 67 4.810 0.395 -5.442 1.00 60.20 N ATOM 905 CA GLU A 67 4.480 1.689 -6.029 1.00 51.40 C ATOM 906 C GLU A 67 3.704 2.552 -5.039 1.00 45.30 C ATOM 907 O GLU A 67 4.015 3.728 -4.849 1.00 24.20 O ATOM 908 CB GLU A 67 3.664 1.500 -7.308 1.00 3.52 C ATOM 909 CG GLU A 67 3.912 2.576 -8.352 1.00 5.02 C ATOM 910 CD GLU A 67 3.869 2.033 -9.765 1.00 74.40 C ATOM 911 OE1 GLU A 67 2.951 1.249 -10.077 1.00 34.20 O ATOM 912 OE2 GLU A 67 4.755 2.394 -10.560 1.00 63.40 O ATOM 0 H GLU A 67 4.428 -0.406 -5.945 1.00 60.20 H new ATOM 0 HA GLU A 67 5.412 2.197 -6.274 1.00 51.40 H new ATOM 0 HB2 GLU A 67 3.899 0.527 -7.739 1.00 3.52 H new ATOM 0 HB3 GLU A 67 2.604 1.489 -7.054 1.00 3.52 H new ATOM 0 HG2 GLU A 67 3.164 3.361 -8.245 1.00 5.02 H new ATOM 0 HG3 GLU A 67 4.884 3.035 -8.172 1.00 5.02 H new ATOM 919 N TYR A 68 2.693 1.961 -4.411 1.00 52.50 N ATOM 920 CA TYR A 68 1.872 2.675 -3.441 1.00 33.10 C ATOM 921 C TYR A 68 2.675 3.004 -2.187 1.00 54.10 C ATOM 922 O TYR A 68 2.571 4.103 -1.641 1.00 54.40 O ATOM 923 CB TYR A 68 0.643 1.845 -3.071 1.00 75.10 C ATOM 924 CG TYR A 68 -0.348 1.690 -4.202 1.00 11.20 C ATOM 925 CD1 TYR A 68 -0.708 2.777 -4.989 1.00 3.30 C ATOM 926 CD2 TYR A 68 -0.922 0.456 -4.485 1.00 33.00 C ATOM 927 CE1 TYR A 68 -1.613 2.640 -6.025 1.00 71.40 C ATOM 928 CE2 TYR A 68 -1.828 0.311 -5.518 1.00 52.40 C ATOM 929 CZ TYR A 68 -2.170 1.405 -6.285 1.00 23.10 C ATOM 930 OH TYR A 68 -3.071 1.265 -7.316 1.00 1.22 O ATOM 0 H TYR A 68 2.423 0.988 -4.557 1.00 52.50 H new ATOM 0 HA TYR A 68 1.545 3.609 -3.897 1.00 33.10 H new ATOM 0 HB2 TYR A 68 0.967 0.857 -2.746 1.00 75.10 H new ATOM 0 HB3 TYR A 68 0.143 2.311 -2.222 1.00 75.10 H new ATOM 0 HD1 TYR A 68 -0.274 3.745 -4.788 1.00 3.30 H new ATOM 0 HD2 TYR A 68 -0.655 -0.403 -3.888 1.00 33.00 H new ATOM 0 HE1 TYR A 68 -1.882 3.495 -6.627 1.00 71.40 H new ATOM 0 HE2 TYR A 68 -2.266 -0.654 -5.724 1.00 52.40 H new ATOM 0 HH TYR A 68 -3.368 0.332 -7.367 1.00 1.22 H new ATOM 940 N LEU A 69 3.475 2.045 -1.735 1.00 53.40 N ATOM 941 CA LEU A 69 4.296 2.232 -0.544 1.00 0.15 C ATOM 942 C LEU A 69 5.327 3.335 -0.762 1.00 24.10 C ATOM 943 O LEU A 69 5.619 4.114 0.146 1.00 20.10 O ATOM 944 CB LEU A 69 5.002 0.926 -0.174 1.00 65.50 C ATOM 945 CG LEU A 69 4.152 -0.067 0.619 1.00 2.05 C ATOM 946 CD1 LEU A 69 4.847 -1.417 0.707 1.00 63.10 C ATOM 947 CD2 LEU A 69 3.861 0.475 2.011 1.00 11.30 C ATOM 0 H LEU A 69 3.573 1.130 -2.175 1.00 53.40 H new ATOM 0 HA LEU A 69 3.640 2.527 0.275 1.00 0.15 H new ATOM 0 HB2 LEU A 69 5.340 0.441 -1.090 1.00 65.50 H new ATOM 0 HB3 LEU A 69 5.892 1.164 0.408 1.00 65.50 H new ATOM 0 HG LEU A 69 3.205 -0.203 0.096 1.00 2.05 H new ATOM 0 HD11 LEU A 69 4.226 -2.110 1.275 1.00 63.10 H new ATOM 0 HD12 LEU A 69 5.005 -1.811 -0.297 1.00 63.10 H new ATOM 0 HD13 LEU A 69 5.809 -1.299 1.206 1.00 63.10 H new ATOM 0 HD21 LEU A 69 3.255 -0.244 2.562 1.00 11.30 H new ATOM 0 HD22 LEU A 69 4.799 0.640 2.541 1.00 11.30 H new ATOM 0 HD23 LEU A 69 3.320 1.418 1.929 1.00 11.30 H new ATOM 959 N ASP A 70 5.874 3.397 -1.972 1.00 14.10 N ATOM 960 CA ASP A 70 6.872 4.405 -2.309 1.00 63.10 C ATOM 961 C ASP A 70 6.301 5.810 -2.148 1.00 24.20 C ATOM 962 O ASP A 70 6.937 6.685 -1.560 1.00 35.20 O ATOM 963 CB ASP A 70 7.365 4.204 -3.743 1.00 32.30 C ATOM 964 CG ASP A 70 8.360 3.066 -3.858 1.00 13.20 C ATOM 965 OD1 ASP A 70 9.265 2.979 -3.001 1.00 10.40 O ATOM 966 OD2 ASP A 70 8.234 2.261 -4.805 1.00 45.20 O ATOM 0 H ASP A 70 5.643 2.761 -2.735 1.00 14.10 H new ATOM 0 HA ASP A 70 7.712 4.293 -1.624 1.00 63.10 H new ATOM 0 HB2 ASP A 70 6.513 4.005 -4.393 1.00 32.30 H new ATOM 0 HB3 ASP A 70 7.828 5.125 -4.098 1.00 32.30 H new ATOM 971 N ARG A 71 5.098 6.019 -2.673 1.00 61.40 N ATOM 972 CA ARG A 71 4.442 7.318 -2.587 1.00 2.44 C ATOM 973 C ARG A 71 4.187 7.704 -1.134 1.00 52.30 C ATOM 974 O ARG A 71 4.358 8.861 -0.749 1.00 41.20 O ATOM 975 CB ARG A 71 3.121 7.298 -3.359 1.00 44.10 C ATOM 976 CG ARG A 71 3.267 7.679 -4.823 1.00 14.30 C ATOM 977 CD ARG A 71 2.049 7.260 -5.632 1.00 63.10 C ATOM 978 NE ARG A 71 1.835 8.126 -6.789 1.00 30.20 N ATOM 979 CZ ARG A 71 2.523 8.027 -7.925 1.00 62.00 C ATOM 980 NH1 ARG A 71 3.467 7.103 -8.060 1.00 61.40 N ATOM 981 NH2 ARG A 71 2.261 8.853 -8.922 1.00 62.40 N ATOM 0 H ARG A 71 4.558 5.305 -3.162 1.00 61.40 H new ATOM 0 HA ARG A 71 5.104 8.061 -3.031 1.00 2.44 H new ATOM 0 HB2 ARG A 71 2.686 6.301 -3.293 1.00 44.10 H new ATOM 0 HB3 ARG A 71 2.420 7.983 -2.882 1.00 44.10 H new ATOM 0 HG2 ARG A 71 3.408 8.757 -4.907 1.00 14.30 H new ATOM 0 HG3 ARG A 71 4.159 7.208 -5.236 1.00 14.30 H new ATOM 0 HD2 ARG A 71 2.174 6.231 -5.968 1.00 63.10 H new ATOM 0 HD3 ARG A 71 1.165 7.282 -4.994 1.00 63.10 H new ATOM 0 HE ARG A 71 1.117 8.848 -6.723 1.00 30.20 H new ATOM 0 HH11 ARG A 71 3.669 6.464 -7.291 1.00 61.40 H new ATOM 0 HH12 ARG A 71 3.990 7.032 -8.933 1.00 61.40 H new ATOM 0 HH21 ARG A 71 1.535 9.562 -8.819 1.00 62.40 H new ATOM 0 HH22 ARG A 71 2.785 8.782 -9.794 1.00 62.40 H new ATOM 995 N ALA A 72 3.780 6.727 -0.329 1.00 61.10 N ATOM 996 CA ALA A 72 3.503 6.964 1.082 1.00 32.10 C ATOM 997 C ALA A 72 4.742 7.477 1.807 1.00 44.10 C ATOM 998 O ALA A 72 4.679 8.456 2.551 1.00 23.40 O ATOM 999 CB ALA A 72 2.993 5.692 1.740 1.00 65.10 C ATOM 0 H ALA A 72 3.635 5.764 -0.631 1.00 61.10 H new ATOM 0 HA ALA A 72 2.731 7.731 1.151 1.00 32.10 H new ATOM 0 HB1 ALA A 72 2.790 5.884 2.794 1.00 65.10 H new ATOM 0 HB2 ALA A 72 2.076 5.370 1.247 1.00 65.10 H new ATOM 0 HB3 ALA A 72 3.747 4.909 1.652 1.00 65.10 H new ATOM 1005 N GLU A 73 5.870 6.810 1.583 1.00 24.30 N ATOM 1006 CA GLU A 73 7.126 7.199 2.215 1.00 22.30 C ATOM 1007 C GLU A 73 7.620 8.533 1.667 1.00 5.41 C ATOM 1008 O GLU A 73 8.257 9.311 2.380 1.00 2.20 O ATOM 1009 CB GLU A 73 8.187 6.119 1.994 1.00 30.10 C ATOM 1010 CG GLU A 73 9.218 6.043 3.108 1.00 52.40 C ATOM 1011 CD GLU A 73 10.383 5.134 2.763 1.00 51.10 C ATOM 1012 OE1 GLU A 73 10.136 4.023 2.250 1.00 14.20 O ATOM 1013 OE2 GLU A 73 11.540 5.535 3.006 1.00 0.13 O ATOM 0 H GLU A 73 5.940 5.998 0.969 1.00 24.30 H new ATOM 0 HA GLU A 73 6.947 7.310 3.284 1.00 22.30 H new ATOM 0 HB2 GLU A 73 7.694 5.151 1.899 1.00 30.10 H new ATOM 0 HB3 GLU A 73 8.697 6.310 1.050 1.00 30.10 H new ATOM 0 HG2 GLU A 73 9.593 7.044 3.320 1.00 52.40 H new ATOM 0 HG3 GLU A 73 8.738 5.683 4.018 1.00 52.40 H new ATOM 1020 N LYS A 74 7.325 8.793 0.398 1.00 31.10 N ATOM 1021 CA LYS A 74 7.740 10.035 -0.245 1.00 73.10 C ATOM 1022 C LYS A 74 6.934 11.217 0.284 1.00 41.30 C ATOM 1023 O LYS A 74 7.496 12.250 0.646 1.00 64.00 O ATOM 1024 CB LYS A 74 7.574 9.928 -1.762 1.00 21.00 C ATOM 1025 CG LYS A 74 8.445 10.901 -2.539 1.00 5.14 C ATOM 1026 CD LYS A 74 8.691 10.417 -3.959 1.00 25.30 C ATOM 1027 CE LYS A 74 9.705 11.292 -4.675 1.00 45.40 C ATOM 1028 NZ LYS A 74 9.937 10.839 -6.076 1.00 41.30 N ATOM 0 H LYS A 74 6.800 8.160 -0.206 1.00 31.10 H new ATOM 0 HA LYS A 74 8.792 10.202 -0.012 1.00 73.10 H new ATOM 0 HB2 LYS A 74 7.812 8.911 -2.074 1.00 21.00 H new ATOM 0 HB3 LYS A 74 6.529 10.104 -2.018 1.00 21.00 H new ATOM 0 HG2 LYS A 74 7.965 11.879 -2.565 1.00 5.14 H new ATOM 0 HG3 LYS A 74 9.398 11.027 -2.026 1.00 5.14 H new ATOM 0 HD2 LYS A 74 9.048 9.387 -3.937 1.00 25.30 H new ATOM 0 HD3 LYS A 74 7.752 10.418 -4.513 1.00 25.30 H new ATOM 0 HE2 LYS A 74 9.355 12.324 -4.680 1.00 45.40 H new ATOM 0 HE3 LYS A 74 10.648 11.278 -4.128 1.00 45.40 H new ATOM 0 HZ1 LYS A 74 10.635 11.461 -6.531 1.00 41.30 H new ATOM 0 HZ2 LYS A 74 10.295 9.863 -6.070 1.00 41.30 H new ATOM 0 HZ3 LYS A 74 9.043 10.876 -6.606 1.00 41.30 H new ATOM 1042 N LEU A 75 5.616 11.057 0.326 1.00 72.10 N ATOM 1043 CA LEU A 75 4.733 12.111 0.811 1.00 0.23 C ATOM 1044 C LEU A 75 5.019 12.428 2.276 1.00 43.20 C ATOM 1045 O LEU A 75 5.062 13.593 2.672 1.00 71.50 O ATOM 1046 CB LEU A 75 3.270 11.698 0.643 1.00 63.10 C ATOM 1047 CG LEU A 75 2.814 11.505 -0.805 1.00 60.20 C ATOM 1048 CD1 LEU A 75 1.452 10.831 -0.850 1.00 70.40 C ATOM 1049 CD2 LEU A 75 2.775 12.841 -1.532 1.00 63.40 C ATOM 0 H LEU A 75 5.135 10.207 0.030 1.00 72.10 H new ATOM 0 HA LEU A 75 4.920 13.008 0.220 1.00 0.23 H new ATOM 0 HB2 LEU A 75 3.106 10.768 1.187 1.00 63.10 H new ATOM 0 HB3 LEU A 75 2.639 12.455 1.109 1.00 63.10 H new ATOM 0 HG LEU A 75 3.532 10.859 -1.310 1.00 60.20 H new ATOM 0 HD11 LEU A 75 1.144 10.702 -1.888 1.00 70.40 H new ATOM 0 HD12 LEU A 75 1.512 9.856 -0.365 1.00 70.40 H new ATOM 0 HD13 LEU A 75 0.722 11.451 -0.329 1.00 70.40 H new ATOM 0 HD21 LEU A 75 2.449 12.686 -2.560 1.00 63.40 H new ATOM 0 HD22 LEU A 75 2.078 13.510 -1.027 1.00 63.40 H new ATOM 0 HD23 LEU A 75 3.770 13.285 -1.530 1.00 63.40 H new ATOM 1061 N LYS A 76 5.213 11.385 3.075 1.00 2.34 N ATOM 1062 CA LYS A 76 5.494 11.552 4.496 1.00 15.50 C ATOM 1063 C LYS A 76 6.770 12.359 4.706 1.00 32.20 C ATOM 1064 O LYS A 76 6.865 13.159 5.638 1.00 22.40 O ATOM 1065 CB LYS A 76 5.622 10.188 5.176 1.00 65.10 C ATOM 1066 CG LYS A 76 5.217 10.198 6.641 1.00 23.00 C ATOM 1067 CD LYS A 76 6.425 10.354 7.551 1.00 43.40 C ATOM 1068 CE LYS A 76 6.068 11.097 8.829 1.00 70.30 C ATOM 1069 NZ LYS A 76 7.125 10.956 9.868 1.00 24.30 N ATOM 0 H LYS A 76 5.181 10.414 2.763 1.00 2.34 H new ATOM 0 HA LYS A 76 4.663 12.097 4.944 1.00 15.50 H new ATOM 0 HB2 LYS A 76 5.005 9.466 4.642 1.00 65.10 H new ATOM 0 HB3 LYS A 76 6.654 9.847 5.095 1.00 65.10 H new ATOM 0 HG2 LYS A 76 4.517 11.014 6.821 1.00 23.00 H new ATOM 0 HG3 LYS A 76 4.696 9.272 6.882 1.00 23.00 H new ATOM 0 HD2 LYS A 76 6.824 9.371 7.800 1.00 43.40 H new ATOM 0 HD3 LYS A 76 7.212 10.893 7.023 1.00 43.40 H new ATOM 0 HE2 LYS A 76 5.918 12.153 8.605 1.00 70.30 H new ATOM 0 HE3 LYS A 76 5.124 10.717 9.218 1.00 70.30 H new ATOM 0 HZ1 LYS A 76 6.843 11.477 10.723 1.00 24.30 H new ATOM 0 HZ2 LYS A 76 7.251 9.950 10.101 1.00 24.30 H new ATOM 0 HZ3 LYS A 76 8.021 11.342 9.507 1.00 24.30 H new ATOM 1083 N GLU A 77 7.749 12.147 3.833 1.00 32.30 N ATOM 1084 CA GLU A 77 9.020 12.858 3.920 1.00 34.30 C ATOM 1085 C GLU A 77 8.865 14.297 3.442 1.00 2.21 C ATOM 1086 O GLU A 77 9.197 15.241 4.160 1.00 52.50 O ATOM 1087 CB GLU A 77 10.087 12.143 3.090 1.00 14.20 C ATOM 1088 CG GLU A 77 10.783 11.016 3.835 1.00 54.40 C ATOM 1089 CD GLU A 77 12.142 11.423 4.370 1.00 50.10 C ATOM 1090 OE1 GLU A 77 12.263 12.558 4.878 1.00 52.20 O ATOM 1091 OE2 GLU A 77 13.083 10.607 4.283 1.00 41.20 O ATOM 0 H GLU A 77 7.687 11.488 3.057 1.00 32.30 H new ATOM 0 HA GLU A 77 9.334 12.870 4.964 1.00 34.30 H new ATOM 0 HB2 GLU A 77 9.625 11.740 2.189 1.00 14.20 H new ATOM 0 HB3 GLU A 77 10.833 12.870 2.769 1.00 14.20 H new ATOM 0 HG2 GLU A 77 10.154 10.690 4.663 1.00 54.40 H new ATOM 0 HG3 GLU A 77 10.900 10.162 3.168 1.00 54.40 H new ATOM 1098 N TYR A 78 8.355 14.456 2.226 1.00 60.30 N ATOM 1099 CA TYR A 78 8.150 15.776 1.647 1.00 13.30 C ATOM 1100 C TYR A 78 7.188 16.596 2.507 1.00 13.20 C ATOM 1101 O TYR A 78 7.301 17.820 2.588 1.00 23.00 O ATOM 1102 CB TYR A 78 7.618 15.641 0.212 1.00 74.10 C ATOM 1103 CG TYR A 78 6.677 16.748 -0.215 1.00 12.00 C ATOM 1104 CD1 TYR A 78 5.337 16.724 0.153 1.00 72.50 C ATOM 1105 CD2 TYR A 78 7.127 17.812 -0.986 1.00 25.30 C ATOM 1106 CE1 TYR A 78 4.474 17.730 -0.234 1.00 21.50 C ATOM 1107 CE2 TYR A 78 6.269 18.823 -1.377 1.00 33.00 C ATOM 1108 CZ TYR A 78 4.943 18.777 -0.999 1.00 20.20 C ATOM 1109 OH TYR A 78 4.086 19.781 -1.386 1.00 21.40 O ATOM 0 H TYR A 78 8.075 13.684 1.621 1.00 60.30 H new ATOM 0 HA TYR A 78 9.105 16.300 1.617 1.00 13.30 H new ATOM 0 HB2 TYR A 78 8.464 15.615 -0.475 1.00 74.10 H new ATOM 0 HB3 TYR A 78 7.102 14.686 0.118 1.00 74.10 H new ATOM 0 HD1 TYR A 78 4.965 15.905 0.751 1.00 72.50 H new ATOM 0 HD2 TYR A 78 8.164 17.850 -1.285 1.00 25.30 H new ATOM 0 HE1 TYR A 78 3.436 17.697 0.061 1.00 21.50 H new ATOM 0 HE2 TYR A 78 6.635 19.644 -1.975 1.00 33.00 H new ATOM 0 HH TYR A 78 4.576 20.442 -1.919 1.00 21.40 H new ATOM 1119 N LEU A 79 6.245 15.913 3.148 1.00 52.10 N ATOM 1120 CA LEU A 79 5.266 16.577 4.000 1.00 71.00 C ATOM 1121 C LEU A 79 5.929 17.144 5.251 1.00 3.54 C ATOM 1122 O LEU A 79 5.589 18.236 5.706 1.00 75.30 O ATOM 1123 CB LEU A 79 4.157 15.601 4.395 1.00 30.10 C ATOM 1124 CG LEU A 79 3.066 15.399 3.342 1.00 73.50 C ATOM 1125 CD1 LEU A 79 2.282 14.126 3.623 1.00 11.30 C ATOM 1126 CD2 LEU A 79 2.137 16.603 3.301 1.00 11.00 C ATOM 0 H LEU A 79 6.138 14.900 3.093 1.00 52.10 H new ATOM 0 HA LEU A 79 4.831 17.402 3.436 1.00 71.00 H new ATOM 0 HB2 LEU A 79 4.608 14.634 4.619 1.00 30.10 H new ATOM 0 HB3 LEU A 79 3.692 15.956 5.314 1.00 30.10 H new ATOM 0 HG LEU A 79 3.542 15.299 2.366 1.00 73.50 H new ATOM 0 HD11 LEU A 79 1.510 13.999 2.864 1.00 11.30 H new ATOM 0 HD12 LEU A 79 2.957 13.271 3.601 1.00 11.30 H new ATOM 0 HD13 LEU A 79 1.816 14.195 4.606 1.00 11.30 H new ATOM 0 HD21 LEU A 79 1.367 16.443 2.547 1.00 11.00 H new ATOM 0 HD22 LEU A 79 1.668 16.734 4.276 1.00 11.00 H new ATOM 0 HD23 LEU A 79 2.710 17.496 3.051 1.00 11.00 H new ATOM 1138 N LYS A 80 6.879 16.395 5.803 1.00 1.32 N ATOM 1139 CA LYS A 80 7.590 16.823 7.002 1.00 42.50 C ATOM 1140 C LYS A 80 8.771 17.719 6.643 1.00 30.40 C ATOM 1141 O LYS A 80 9.133 18.619 7.401 1.00 23.20 O ATOM 1142 CB LYS A 80 8.080 15.607 7.791 1.00 44.20 C ATOM 1143 CG LYS A 80 7.075 15.101 8.813 1.00 14.10 C ATOM 1144 CD LYS A 80 7.361 15.657 10.198 1.00 41.40 C ATOM 1145 CE LYS A 80 7.109 14.618 11.278 1.00 20.10 C ATOM 1146 NZ LYS A 80 7.047 15.230 12.635 1.00 31.40 N ATOM 0 H LYS A 80 7.174 15.489 5.439 1.00 1.32 H new ATOM 0 HA LYS A 80 6.898 17.394 7.620 1.00 42.50 H new ATOM 0 HB2 LYS A 80 8.314 14.802 7.094 1.00 44.20 H new ATOM 0 HB3 LYS A 80 9.007 15.865 8.302 1.00 44.20 H new ATOM 0 HG2 LYS A 80 6.068 15.385 8.506 1.00 14.10 H new ATOM 0 HG3 LYS A 80 7.103 14.012 8.844 1.00 14.10 H new ATOM 0 HD2 LYS A 80 8.397 15.993 10.250 1.00 41.40 H new ATOM 0 HD3 LYS A 80 6.733 16.530 10.378 1.00 41.40 H new ATOM 0 HE2 LYS A 80 6.173 14.099 11.071 1.00 20.10 H new ATOM 0 HE3 LYS A 80 7.901 13.869 11.253 1.00 20.10 H new ATOM 0 HZ1 LYS A 80 6.874 14.488 13.343 1.00 31.40 H new ATOM 0 HZ2 LYS A 80 7.949 15.704 12.844 1.00 31.40 H new ATOM 0 HZ3 LYS A 80 6.275 15.926 12.667 1.00 31.40 H new ATOM 1160 N ASN A 81 9.367 17.468 5.482 1.00 54.40 N ATOM 1161 CA ASN A 81 10.507 18.253 5.023 1.00 31.10 C ATOM 1162 C ASN A 81 10.045 19.515 4.302 1.00 44.10 C ATOM 1163 O ASN A 81 10.242 20.628 4.789 1.00 61.10 O ATOM 1164 CB ASN A 81 11.388 17.415 4.094 1.00 53.40 C ATOM 1165 CG ASN A 81 12.862 17.732 4.254 1.00 11.40 C ATOM 1166 OD1 ASN A 81 13.564 17.094 5.038 1.00 3.42 O ATOM 1167 ND2 ASN A 81 13.338 18.724 3.511 1.00 14.50 N ATOM 0 H ASN A 81 9.080 16.727 4.842 1.00 54.40 H new ATOM 0 HA ASN A 81 11.088 18.548 5.897 1.00 31.10 H new ATOM 0 HB2 ASN A 81 11.223 16.357 4.297 1.00 53.40 H new ATOM 0 HB3 ASN A 81 11.091 17.591 3.060 1.00 53.40 H new ATOM 0 HD21 ASN A 81 14.322 18.984 3.577 1.00 14.50 H new ATOM 0 HD22 ASN A 81 12.720 19.226 2.874 1.00 14.50 H new TER 1174 ASN A 81 ATOM 1175 N ASP B 116 8.700 -10.216 -1.881 1.00 2.12 N ATOM 1176 CA ASP B 116 7.754 -10.347 -0.777 1.00 72.30 C ATOM 1177 C ASP B 116 8.395 -9.930 0.544 1.00 42.10 C ATOM 1178 O ASP B 116 7.725 -9.417 1.437 1.00 1.43 O ATOM 1179 CB ASP B 116 7.249 -11.786 -0.682 1.00 63.30 C ATOM 1180 CG ASP B 116 8.377 -12.799 -0.728 1.00 40.00 C ATOM 1181 OD1 ASP B 116 8.888 -13.075 -1.836 1.00 42.30 O ATOM 1182 OD2 ASP B 116 8.753 -13.322 0.343 1.00 30.20 O ATOM 0 HA ASP B 116 6.911 -9.685 -0.973 1.00 72.30 H new ATOM 0 HB2 ASP B 116 6.689 -11.911 0.245 1.00 63.30 H new ATOM 0 HB3 ASP B 116 6.557 -11.980 -1.501 1.00 63.30 H new ATOM 1187 N GLU B 117 9.697 -10.160 0.662 1.00 41.20 N ATOM 1188 CA GLU B 117 10.434 -9.817 1.874 1.00 41.40 C ATOM 1189 C GLU B 117 10.640 -8.300 1.967 1.00 23.40 C ATOM 1190 O GLU B 117 10.635 -7.730 3.059 1.00 72.40 O ATOM 1191 CB GLU B 117 11.781 -10.528 1.907 1.00 11.10 C ATOM 1192 CG GLU B 117 12.568 -10.417 0.611 1.00 60.30 C ATOM 1193 CD GLU B 117 14.067 -10.469 0.830 1.00 43.20 C ATOM 1194 OE1 GLU B 117 14.518 -10.091 1.931 1.00 71.30 O ATOM 1195 OE2 GLU B 117 14.785 -10.880 -0.101 1.00 72.30 O ATOM 0 H GLU B 117 10.267 -10.584 -0.070 1.00 41.20 H new ATOM 0 HA GLU B 117 9.846 -10.146 2.731 1.00 41.40 H new ATOM 0 HB2 GLU B 117 12.379 -10.116 2.720 1.00 11.10 H new ATOM 0 HB3 GLU B 117 11.619 -11.582 2.133 1.00 11.10 H new ATOM 0 HG2 GLU B 117 12.274 -11.226 -0.058 1.00 60.30 H new ATOM 0 HG3 GLU B 117 12.310 -9.482 0.113 1.00 60.30 H new ATOM 1202 N GLU B 118 10.827 -7.663 0.818 1.00 21.20 N ATOM 1203 CA GLU B 118 11.040 -6.223 0.772 1.00 65.40 C ATOM 1204 C GLU B 118 9.718 -5.472 0.910 1.00 34.20 C ATOM 1205 O GLU B 118 9.599 -4.556 1.720 1.00 20.10 O ATOM 1206 CB GLU B 118 11.728 -5.826 -0.534 1.00 31.40 C ATOM 1207 CG GLU B 118 13.239 -5.977 -0.495 1.00 63.40 C ATOM 1208 CD GLU B 118 13.675 -7.412 -0.245 1.00 53.10 C ATOM 1209 OE1 GLU B 118 13.625 -8.224 -1.194 1.00 70.10 O ATOM 1210 OE2 GLU B 118 14.063 -7.719 0.899 1.00 31.20 O ATOM 0 H GLU B 118 10.835 -8.121 -0.093 1.00 21.20 H new ATOM 0 HA GLU B 118 11.683 -5.952 1.610 1.00 65.40 H new ATOM 0 HB2 GLU B 118 11.331 -6.437 -1.345 1.00 31.40 H new ATOM 0 HB3 GLU B 118 11.480 -4.790 -0.765 1.00 31.40 H new ATOM 0 HG2 GLU B 118 13.660 -5.632 -1.440 1.00 63.40 H new ATOM 0 HG3 GLU B 118 13.645 -5.336 0.288 1.00 63.40 H new ATOM 1217 N ILE B 119 8.730 -5.874 0.119 1.00 42.50 N ATOM 1218 CA ILE B 119 7.418 -5.240 0.157 1.00 34.50 C ATOM 1219 C ILE B 119 6.773 -5.403 1.529 1.00 30.40 C ATOM 1220 O ILE B 119 6.238 -4.447 2.092 1.00 44.20 O ATOM 1221 CB ILE B 119 6.479 -5.824 -0.918 1.00 3.23 C ATOM 1222 CG1 ILE B 119 7.128 -5.735 -2.299 1.00 1.52 C ATOM 1223 CG2 ILE B 119 5.141 -5.096 -0.910 1.00 72.10 C ATOM 1224 CD1 ILE B 119 6.266 -6.293 -3.412 1.00 63.30 C ATOM 0 H ILE B 119 8.812 -6.635 -0.555 1.00 42.50 H new ATOM 0 HA ILE B 119 7.570 -4.180 -0.046 1.00 34.50 H new ATOM 0 HB ILE B 119 6.301 -6.874 -0.687 1.00 3.23 H new ATOM 0 HG12 ILE B 119 7.357 -4.692 -2.517 1.00 1.52 H new ATOM 0 HG13 ILE B 119 8.076 -6.273 -2.281 1.00 1.52 H new ATOM 0 HG21 ILE B 119 4.491 -5.521 -1.675 1.00 72.10 H new ATOM 0 HG22 ILE B 119 4.672 -5.207 0.068 1.00 72.10 H new ATOM 0 HG23 ILE B 119 5.301 -4.038 -1.117 1.00 72.10 H new ATOM 0 HD11 ILE B 119 6.791 -6.196 -4.362 1.00 63.30 H new ATOM 0 HD12 ILE B 119 6.058 -7.345 -3.218 1.00 63.30 H new ATOM 0 HD13 ILE B 119 5.328 -5.740 -3.458 1.00 63.30 H new ATOM 1236 N GLU B 120 6.826 -6.618 2.063 1.00 72.30 N ATOM 1237 CA GLU B 120 6.246 -6.903 3.370 1.00 11.10 C ATOM 1238 C GLU B 120 6.907 -6.057 4.454 1.00 33.00 C ATOM 1239 O GLU B 120 6.237 -5.509 5.323 1.00 74.00 O ATOM 1240 CB GLU B 120 6.391 -8.392 3.700 1.00 11.40 C ATOM 1241 CG GLU B 120 5.621 -8.815 4.939 1.00 74.00 C ATOM 1242 CD GLU B 120 6.319 -8.417 6.224 1.00 44.10 C ATOM 1243 OE1 GLU B 120 7.503 -8.772 6.391 1.00 40.40 O ATOM 1244 OE2 GLU B 120 5.682 -7.745 7.064 1.00 42.30 O ATOM 0 H GLU B 120 7.264 -7.421 1.611 1.00 72.30 H new ATOM 0 HA GLU B 120 5.187 -6.649 3.336 1.00 11.10 H new ATOM 0 HB2 GLU B 120 6.046 -8.980 2.849 1.00 11.40 H new ATOM 0 HB3 GLU B 120 7.447 -8.624 3.841 1.00 11.40 H new ATOM 0 HG2 GLU B 120 4.628 -8.366 4.916 1.00 74.00 H new ATOM 0 HG3 GLU B 120 5.483 -9.896 4.925 1.00 74.00 H new ATOM 1251 N ARG B 121 8.234 -5.973 4.400 1.00 52.30 N ATOM 1252 CA ARG B 121 8.989 -5.200 5.379 1.00 44.10 C ATOM 1253 C ARG B 121 8.666 -3.717 5.268 1.00 53.30 C ATOM 1254 O ARG B 121 8.691 -2.991 6.262 1.00 53.20 O ATOM 1255 CB ARG B 121 10.492 -5.422 5.185 1.00 35.10 C ATOM 1256 CG ARG B 121 11.314 -5.133 6.429 1.00 72.40 C ATOM 1257 CD ARG B 121 11.156 -6.229 7.467 1.00 53.20 C ATOM 1258 NE ARG B 121 12.229 -6.205 8.460 1.00 63.50 N ATOM 1259 CZ ARG B 121 13.485 -6.549 8.202 1.00 53.10 C ATOM 1260 NH1 ARG B 121 13.837 -6.962 6.987 1.00 34.50 N ATOM 1261 NH2 ARG B 121 14.399 -6.498 9.162 1.00 23.20 N ATOM 0 H ARG B 121 8.806 -6.430 3.690 1.00 52.30 H new ATOM 0 HA ARG B 121 8.702 -5.542 6.373 1.00 44.10 H new ATOM 0 HB2 ARG B 121 10.662 -6.454 4.879 1.00 35.10 H new ATOM 0 HB3 ARG B 121 10.843 -4.787 4.372 1.00 35.10 H new ATOM 0 HG2 ARG B 121 12.365 -5.036 6.157 1.00 72.40 H new ATOM 0 HG3 ARG B 121 11.006 -4.179 6.856 1.00 72.40 H new ATOM 0 HD2 ARG B 121 10.195 -6.116 7.969 1.00 53.20 H new ATOM 0 HD3 ARG B 121 11.144 -7.199 6.970 1.00 53.20 H new ATOM 0 HE ARG B 121 11.999 -5.906 9.408 1.00 63.50 H new ATOM 0 HH11 ARG B 121 13.139 -7.016 6.245 1.00 34.50 H new ATOM 0 HH12 ARG B 121 14.804 -7.224 6.798 1.00 34.50 H new ATOM 0 HH21 ARG B 121 14.137 -6.194 10.100 1.00 23.20 H new ATOM 0 HH22 ARG B 121 15.364 -6.763 8.962 1.00 23.20 H new ATOM 1275 N GLN B 122 8.361 -3.272 4.054 1.00 23.40 N ATOM 1276 CA GLN B 122 8.030 -1.872 3.814 1.00 11.20 C ATOM 1277 C GLN B 122 6.803 -1.457 4.620 1.00 62.00 C ATOM 1278 O GLN B 122 6.801 -0.413 5.272 1.00 14.30 O ATOM 1279 CB GLN B 122 7.781 -1.632 2.324 1.00 2.43 C ATOM 1280 CG GLN B 122 9.032 -1.240 1.553 1.00 74.40 C ATOM 1281 CD GLN B 122 9.131 0.254 1.323 1.00 61.40 C ATOM 1282 OE1 GLN B 122 9.814 0.965 2.060 1.00 4.41 O ATOM 1283 NE2 GLN B 122 8.446 0.740 0.294 1.00 74.50 N ATOM 0 H GLN B 122 8.336 -3.860 3.221 1.00 23.40 H new ATOM 0 HA GLN B 122 8.876 -1.265 4.136 1.00 11.20 H new ATOM 0 HB2 GLN B 122 7.362 -2.537 1.884 1.00 2.43 H new ATOM 0 HB3 GLN B 122 7.034 -0.847 2.211 1.00 2.43 H new ATOM 0 HG2 GLN B 122 9.912 -1.579 2.100 1.00 74.40 H new ATOM 0 HG3 GLN B 122 9.037 -1.753 0.591 1.00 74.40 H new ATOM 0 HE21 GLN B 122 7.893 0.114 -0.291 1.00 74.50 H new ATOM 0 HE22 GLN B 122 8.474 1.739 0.089 1.00 74.50 H new ATOM 1292 N LEU B 123 5.762 -2.282 4.572 1.00 52.50 N ATOM 1293 CA LEU B 123 4.530 -1.998 5.299 1.00 75.10 C ATOM 1294 C LEU B 123 4.792 -1.911 6.798 1.00 41.00 C ATOM 1295 O LEU B 123 4.352 -0.971 7.461 1.00 52.40 O ATOM 1296 CB LEU B 123 3.485 -3.080 5.014 1.00 72.10 C ATOM 1297 CG LEU B 123 2.697 -2.891 3.714 1.00 54.50 C ATOM 1298 CD1 LEU B 123 3.193 -3.853 2.643 1.00 54.30 C ATOM 1299 CD2 LEU B 123 1.207 -3.087 3.958 1.00 30.30 C ATOM 0 H LEU B 123 5.747 -3.151 4.038 1.00 52.50 H new ATOM 0 HA LEU B 123 4.149 -1.035 4.958 1.00 75.10 H new ATOM 0 HB2 LEU B 123 3.985 -4.048 4.981 1.00 72.10 H new ATOM 0 HB3 LEU B 123 2.782 -3.113 5.846 1.00 72.10 H new ATOM 0 HG LEU B 123 2.857 -1.872 3.362 1.00 54.50 H new ATOM 0 HD11 LEU B 123 2.621 -3.704 1.727 1.00 54.30 H new ATOM 0 HD12 LEU B 123 4.249 -3.666 2.446 1.00 54.30 H new ATOM 0 HD13 LEU B 123 3.065 -4.879 2.988 1.00 54.30 H new ATOM 0 HD21 LEU B 123 0.664 -2.949 3.023 1.00 30.30 H new ATOM 0 HD22 LEU B 123 1.029 -4.094 4.335 1.00 30.30 H new ATOM 0 HD23 LEU B 123 0.859 -2.359 4.691 1.00 30.30 H new ATOM 1311 N LYS B 124 5.509 -2.896 7.327 1.00 10.20 N ATOM 1312 CA LYS B 124 5.830 -2.932 8.749 1.00 40.00 C ATOM 1313 C LYS B 124 6.631 -1.699 9.156 1.00 15.50 C ATOM 1314 O LYS B 124 6.518 -1.217 10.284 1.00 62.00 O ATOM 1315 CB LYS B 124 6.616 -4.200 9.085 1.00 54.30 C ATOM 1316 CG LYS B 124 6.386 -4.700 10.502 1.00 23.10 C ATOM 1317 CD LYS B 124 7.270 -3.971 11.501 1.00 71.20 C ATOM 1318 CE LYS B 124 8.502 -4.781 11.851 1.00 53.30 C ATOM 1319 NZ LYS B 124 9.387 -4.993 10.671 1.00 13.20 N ATOM 0 H LYS B 124 5.879 -3.681 6.792 1.00 10.20 H new ATOM 0 HA LYS B 124 4.894 -2.936 9.308 1.00 40.00 H new ATOM 0 HB2 LYS B 124 6.340 -4.986 8.382 1.00 54.30 H new ATOM 0 HB3 LYS B 124 7.679 -4.006 8.945 1.00 54.30 H new ATOM 0 HG2 LYS B 124 5.339 -4.562 10.772 1.00 23.10 H new ATOM 0 HG3 LYS B 124 6.588 -5.770 10.549 1.00 23.10 H new ATOM 0 HD2 LYS B 124 7.572 -3.009 11.086 1.00 71.20 H new ATOM 0 HD3 LYS B 124 6.701 -3.763 12.407 1.00 71.20 H new ATOM 0 HE2 LYS B 124 9.060 -4.270 12.635 1.00 53.30 H new ATOM 0 HE3 LYS B 124 8.198 -5.747 12.254 1.00 53.30 H new ATOM 0 HZ1 LYS B 124 10.234 -5.522 10.963 1.00 13.20 H new ATOM 0 HZ2 LYS B 124 8.874 -5.533 9.945 1.00 13.20 H new ATOM 0 HZ3 LYS B 124 9.672 -4.072 10.281 1.00 13.20 H new ATOM 1333 N ALA B 125 7.441 -1.194 8.231 1.00 23.10 N ATOM 1334 CA ALA B 125 8.261 -0.019 8.494 1.00 1.45 C ATOM 1335 C ALA B 125 7.408 1.244 8.556 1.00 65.50 C ATOM 1336 O ALA B 125 7.489 2.013 9.513 1.00 74.10 O ATOM 1337 CB ALA B 125 9.338 0.122 7.428 1.00 44.20 C ATOM 0 H ALA B 125 7.546 -1.581 7.293 1.00 23.10 H new ATOM 0 HA ALA B 125 8.740 -0.151 9.464 1.00 1.45 H new ATOM 0 HB1 ALA B 125 9.943 1.004 7.637 1.00 44.20 H new ATOM 0 HB2 ALA B 125 9.973 -0.764 7.433 1.00 44.20 H new ATOM 0 HB3 ALA B 125 8.870 0.227 6.449 1.00 44.20 H new ATOM 1343 N LEU B 126 6.591 1.450 7.528 1.00 51.30 N ATOM 1344 CA LEU B 126 5.722 2.619 7.466 1.00 12.30 C ATOM 1345 C LEU B 126 4.665 2.571 8.565 1.00 33.30 C ATOM 1346 O LEU B 126 4.398 3.574 9.226 1.00 21.30 O ATOM 1347 CB LEU B 126 5.045 2.705 6.096 1.00 63.40 C ATOM 1348 CG LEU B 126 5.870 3.396 5.009 1.00 61.10 C ATOM 1349 CD1 LEU B 126 5.546 2.814 3.642 1.00 21.10 C ATOM 1350 CD2 LEU B 126 5.619 4.897 5.025 1.00 32.40 C ATOM 0 H LEU B 126 6.513 0.823 6.727 1.00 51.30 H new ATOM 0 HA LEU B 126 6.337 3.506 7.617 1.00 12.30 H new ATOM 0 HB2 LEU B 126 4.805 1.696 5.762 1.00 63.40 H new ATOM 0 HB3 LEU B 126 4.100 3.237 6.207 1.00 63.40 H new ATOM 0 HG LEU B 126 6.926 3.221 5.214 1.00 61.10 H new ATOM 0 HD11 LEU B 126 6.142 3.318 2.881 1.00 21.10 H new ATOM 0 HD12 LEU B 126 5.776 1.749 3.636 1.00 21.10 H new ATOM 0 HD13 LEU B 126 4.487 2.958 3.427 1.00 21.10 H new ATOM 0 HD21 LEU B 126 6.214 5.374 4.246 1.00 32.40 H new ATOM 0 HD22 LEU B 126 4.562 5.091 4.845 1.00 32.40 H new ATOM 0 HD23 LEU B 126 5.902 5.303 5.996 1.00 32.40 H new ATOM 1362 N GLY B 127 4.069 1.399 8.756 1.00 30.10 N ATOM 1363 CA GLY B 127 3.049 1.243 9.775 1.00 33.30 C ATOM 1364 C GLY B 127 3.611 0.715 11.081 1.00 54.30 C ATOM 1365 O GLY B 127 3.576 -0.487 11.340 1.00 23.20 O ATOM 0 H GLY B 127 4.275 0.554 8.223 1.00 30.10 H new ATOM 0 HA2 GLY B 127 2.567 2.204 9.953 1.00 33.30 H new ATOM 0 HA3 GLY B 127 2.279 0.562 9.413 1.00 33.30 H new ATOM 1369 N VAL B 128 4.131 1.619 11.907 1.00 45.00 N ATOM 1370 CA VAL B 128 4.703 1.239 13.192 1.00 3.12 C ATOM 1371 C VAL B 128 4.726 2.423 14.154 1.00 61.10 C ATOM 1372 O VAL B 128 5.136 3.524 13.788 1.00 25.40 O ATOM 1373 CB VAL B 128 6.133 0.688 13.029 1.00 32.50 C ATOM 1374 CG1 VAL B 128 7.057 1.751 12.453 1.00 1.14 C ATOM 1375 CG2 VAL B 128 6.664 0.170 14.359 1.00 23.30 C ATOM 0 H VAL B 128 4.167 2.619 11.708 1.00 45.00 H new ATOM 0 HA VAL B 128 4.068 0.455 13.604 1.00 3.12 H new ATOM 0 HB VAL B 128 6.100 -0.147 12.329 1.00 32.50 H new ATOM 0 HG11 VAL B 128 8.061 1.341 12.346 1.00 1.14 H new ATOM 0 HG12 VAL B 128 6.687 2.064 11.477 1.00 1.14 H new ATOM 0 HG13 VAL B 128 7.085 2.610 13.123 1.00 1.14 H new ATOM 0 HG21 VAL B 128 7.675 -0.215 14.222 1.00 23.30 H new ATOM 0 HG22 VAL B 128 6.680 0.982 15.086 1.00 23.30 H new ATOM 0 HG23 VAL B 128 6.018 -0.629 14.722 1.00 23.30 H new ATOM 1385 N ASP B 129 4.284 2.187 15.385 1.00 41.30 N ATOM 1386 CA ASP B 129 4.255 3.235 16.400 1.00 65.10 C ATOM 1387 C ASP B 129 4.640 2.679 17.767 1.00 11.20 C ATOM 1388 O ASP B 129 5.407 3.354 18.485 1.00 32.30 O ATOM 1389 CB ASP B 129 2.865 3.870 16.467 1.00 34.00 C ATOM 1390 CG ASP B 129 2.388 4.362 15.115 1.00 21.10 C ATOM 1391 OD1 ASP B 129 3.057 5.244 14.535 1.00 51.40 O ATOM 1392 OD2 ASP B 129 1.347 3.868 14.636 1.00 63.50 O ATOM 1393 OXT ASP B 129 4.171 1.573 18.108 1.00 37.70 O ATOM 0 H ASP B 129 3.941 1.281 15.704 1.00 41.30 H new ATOM 0 HA ASP B 129 4.982 3.998 16.121 1.00 65.10 H new ATOM 0 HB2 ASP B 129 2.154 3.141 16.857 1.00 34.00 H new ATOM 0 HB3 ASP B 129 2.883 4.704 17.168 1.00 34.00 H new TER 1398 ASP B 129