USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=16 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 Set 1.1: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00419) USER MOD Set 2.1: A 60 SER OG : rot 180:sc= 0.214 USER MOD Set 2.2: A 64 LYS NZ :NH3+ -168:sc= 0.564 (180deg=-0.178) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.896 F(o=-1.6,f=-0.9) USER MOD Single : A 12 GLN : amide:sc= -0.0125 K(o=-0.013,f=-0.68) 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= 0.64 K(o=0.64,f=-0.27) USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= -0.19 (180deg=-0.699) USER MOD Single : A 29 ASN : amide:sc= -3.59 X(o=-3.6,f=-4!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot -20:sc= -1.93 USER MOD Single : A 38 GLN : amide:sc= -0.066 X(o=-0.066,f=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.0556 X(o=-0.056,f=-0.039) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,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= -0.084 X(o=-0.084,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.085) USER MOD Single : A 65 CYS SG : rot 74:sc= -2.32! USER MOD Single : A 66 THR OG1 : rot 73:sc= -0.183 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= 0.0169 (180deg=0.00292) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc=-0.00807 K(o=-0.0081,f=-0.92) USER MOD Single : B 122 GLN :FLIP amide:sc= -1.2 F(o=-2.2,f=-1.2) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -12.092 -8.045 2.621 1.00 75.30 N ATOM 2 CA ASN A 10 -10.701 -7.613 2.578 1.00 43.30 C ATOM 3 C ASN A 10 -10.245 -7.386 1.140 1.00 30.40 C ATOM 4 O ASN A 10 -9.402 -6.529 0.874 1.00 54.00 O ATOM 5 CB ASN A 10 -9.802 -8.651 3.252 1.00 32.20 C ATOM 6 CG ASN A 10 -9.670 -8.420 4.744 1.00 3.22 C ATOM 7 OD1 ASN A 10 -8.435 -8.276 5.214 1.00 32.20 O flip ATOM 8 ND2 ASN A 10 -10.665 -8.372 5.467 1.00 74.20 N flip ATOM 0 HA ASN A 10 -10.623 -6.669 3.118 1.00 43.30 H new ATOM 0 HB2 ASN A 10 -10.207 -9.647 3.076 1.00 32.20 H new ATOM 0 HB3 ASN A 10 -8.813 -8.623 2.794 1.00 32.20 H new ATOM 0 HD21 ASN A 10 -11.595 -8.488 5.064 1.00 74.20 H new ATOM 0 HD22 ASN A 10 -10.560 -8.216 6.470 1.00 74.20 H new ATOM 15 N LEU A 11 -10.807 -8.157 0.219 1.00 10.30 N ATOM 16 CA LEU A 11 -10.461 -8.040 -1.194 1.00 11.10 C ATOM 17 C LEU A 11 -10.972 -6.724 -1.773 1.00 61.50 C ATOM 18 O LEU A 11 -10.281 -6.071 -2.557 1.00 60.30 O ATOM 19 CB LEU A 11 -11.032 -9.214 -1.979 1.00 1.20 C ATOM 20 CG LEU A 11 -10.150 -10.461 -2.028 1.00 14.20 C ATOM 21 CD1 LEU A 11 -10.907 -11.633 -2.633 1.00 12.10 C ATOM 22 CD2 LEU A 11 -8.877 -10.180 -2.815 1.00 11.40 C ATOM 0 H LEU A 11 -11.506 -8.872 0.424 1.00 10.30 H new ATOM 0 HA LEU A 11 -9.374 -8.053 -1.278 1.00 11.10 H new ATOM 0 HB2 LEU A 11 -11.994 -9.487 -1.544 1.00 1.20 H new ATOM 0 HB3 LEU A 11 -11.226 -8.886 -3.000 1.00 1.20 H new ATOM 0 HG LEU A 11 -9.874 -10.727 -1.008 1.00 14.20 H new ATOM 0 HD11 LEU A 11 -10.260 -12.510 -2.658 1.00 12.10 H new ATOM 0 HD12 LEU A 11 -11.788 -11.849 -2.028 1.00 12.10 H new ATOM 0 HD13 LEU A 11 -11.217 -11.381 -3.647 1.00 12.10 H new ATOM 0 HD21 LEU A 11 -8.259 -11.078 -2.841 1.00 11.40 H new ATOM 0 HD22 LEU A 11 -9.135 -9.888 -3.833 1.00 11.40 H new ATOM 0 HD23 LEU A 11 -8.324 -9.373 -2.335 1.00 11.40 H new ATOM 34 N GLN A 12 -12.180 -6.340 -1.376 1.00 51.30 N ATOM 35 CA GLN A 12 -12.781 -5.100 -1.854 1.00 10.20 C ATOM 36 C GLN A 12 -12.102 -3.886 -1.225 1.00 54.50 C ATOM 37 O GLN A 12 -11.906 -2.866 -1.885 1.00 11.20 O ATOM 38 CB GLN A 12 -14.280 -5.084 -1.540 1.00 30.20 C ATOM 39 CG GLN A 12 -15.135 -5.742 -2.610 1.00 1.54 C ATOM 40 CD GLN A 12 -15.137 -7.257 -2.507 1.00 71.20 C ATOM 41 OE1 GLN A 12 -15.197 -7.815 -1.412 1.00 45.50 O ATOM 42 NE2 GLN A 12 -15.067 -7.928 -3.652 1.00 61.20 N ATOM 0 H GLN A 12 -12.762 -6.868 -0.726 1.00 51.30 H new ATOM 0 HA GLN A 12 -12.642 -5.049 -2.934 1.00 10.20 H new ATOM 0 HB2 GLN A 12 -14.449 -5.591 -0.590 1.00 30.20 H new ATOM 0 HB3 GLN A 12 -14.605 -4.051 -1.412 1.00 30.20 H new ATOM 0 HG2 GLN A 12 -16.158 -5.375 -2.529 1.00 1.54 H new ATOM 0 HG3 GLN A 12 -14.768 -5.449 -3.594 1.00 1.54 H new ATOM 0 HE21 GLN A 12 -15.019 -7.423 -4.537 1.00 61.20 H new ATOM 0 HE22 GLN A 12 -15.061 -8.948 -3.646 1.00 61.20 H new ATOM 51 N LYS A 13 -11.750 -4.004 0.051 1.00 14.30 N ATOM 52 CA LYS A 13 -11.099 -2.919 0.762 1.00 33.50 C ATOM 53 C LYS A 13 -9.709 -2.654 0.194 1.00 44.40 C ATOM 54 O LYS A 13 -9.232 -1.519 0.200 1.00 51.40 O ATOM 55 CB LYS A 13 -11.000 -3.249 2.253 1.00 13.30 C ATOM 56 CG LYS A 13 -12.348 -3.318 2.952 1.00 55.00 C ATOM 57 CD LYS A 13 -13.133 -2.028 2.779 1.00 21.40 C ATOM 58 CE LYS A 13 -14.136 -1.831 3.904 1.00 21.20 C ATOM 59 NZ LYS A 13 -13.616 -0.915 4.956 1.00 64.20 N ATOM 0 H LYS A 13 -11.906 -4.842 0.611 1.00 14.30 H new ATOM 0 HA LYS A 13 -11.701 -2.019 0.634 1.00 33.50 H new ATOM 0 HB2 LYS A 13 -10.489 -4.205 2.372 1.00 13.30 H new ATOM 0 HB3 LYS A 13 -10.384 -2.495 2.743 1.00 13.30 H new ATOM 0 HG2 LYS A 13 -12.924 -4.152 2.551 1.00 55.00 H new ATOM 0 HG3 LYS A 13 -12.199 -3.514 4.014 1.00 55.00 H new ATOM 0 HD2 LYS A 13 -12.445 -1.183 2.752 1.00 21.40 H new ATOM 0 HD3 LYS A 13 -13.656 -2.044 1.823 1.00 21.40 H new ATOM 0 HE2 LYS A 13 -15.063 -1.428 3.497 1.00 21.20 H new ATOM 0 HE3 LYS A 13 -14.376 -2.796 4.349 1.00 21.20 H new ATOM 0 HZ1 LYS A 13 -14.329 -0.806 5.705 1.00 64.20 H new ATOM 0 HZ2 LYS A 13 -12.745 -1.312 5.362 1.00 64.20 H new ATOM 0 HZ3 LYS A 13 -13.410 0.014 4.537 1.00 64.20 H new ATOM 73 N ALA A 14 -9.065 -3.708 -0.295 1.00 24.10 N ATOM 74 CA ALA A 14 -7.729 -3.589 -0.868 1.00 21.40 C ATOM 75 C ALA A 14 -7.758 -2.795 -2.170 1.00 50.10 C ATOM 76 O ALA A 14 -6.979 -1.861 -2.357 1.00 33.20 O ATOM 77 CB ALA A 14 -7.131 -4.967 -1.101 1.00 64.50 C ATOM 0 H ALA A 14 -9.446 -4.654 -0.306 1.00 24.10 H new ATOM 0 HA ALA A 14 -7.103 -3.048 -0.158 1.00 21.40 H new ATOM 0 HB1 ALA A 14 -6.134 -4.863 -1.529 1.00 64.50 H new ATOM 0 HB2 ALA A 14 -7.065 -5.500 -0.153 1.00 64.50 H new ATOM 0 HB3 ALA A 14 -7.765 -5.527 -1.789 1.00 64.50 H new ATOM 83 N ILE A 15 -8.662 -3.174 -3.068 1.00 51.20 N ATOM 84 CA ILE A 15 -8.793 -2.498 -4.352 1.00 35.10 C ATOM 85 C ILE A 15 -9.411 -1.114 -4.184 1.00 14.20 C ATOM 86 O ILE A 15 -9.054 -0.174 -4.894 1.00 42.00 O ATOM 87 CB ILE A 15 -9.647 -3.313 -5.328 1.00 70.10 C ATOM 88 CG1 ILE A 15 -9.176 -4.768 -5.367 1.00 42.20 C ATOM 89 CG2 ILE A 15 -9.599 -2.697 -6.719 1.00 61.00 C ATOM 90 CD1 ILE A 15 -7.726 -4.922 -5.759 1.00 25.10 C ATOM 0 H ILE A 15 -9.314 -3.946 -2.929 1.00 51.20 H new ATOM 0 HA ILE A 15 -7.787 -2.396 -4.760 1.00 35.10 H new ATOM 0 HB ILE A 15 -10.680 -3.297 -4.980 1.00 70.10 H new ATOM 0 HG12 ILE A 15 -9.328 -5.217 -4.386 1.00 42.20 H new ATOM 0 HG13 ILE A 15 -9.795 -5.323 -6.071 1.00 42.20 H new ATOM 0 HG21 ILE A 15 -10.211 -3.288 -7.400 1.00 61.00 H new ATOM 0 HG22 ILE A 15 -9.982 -1.677 -6.679 1.00 61.00 H new ATOM 0 HG23 ILE A 15 -8.569 -2.683 -7.076 1.00 61.00 H new ATOM 0 HD11 ILE A 15 -7.461 -5.979 -5.766 1.00 25.10 H new ATOM 0 HD12 ILE A 15 -7.571 -4.503 -6.753 1.00 25.10 H new ATOM 0 HD13 ILE A 15 -7.097 -4.395 -5.041 1.00 25.10 H new ATOM 102 N ASP A 16 -10.339 -0.996 -3.240 1.00 30.30 N ATOM 103 CA ASP A 16 -11.006 0.273 -2.979 1.00 1.41 C ATOM 104 C ASP A 16 -10.057 1.259 -2.305 1.00 14.30 C ATOM 105 O ASP A 16 -10.053 2.448 -2.623 1.00 42.40 O ATOM 106 CB ASP A 16 -12.240 0.054 -2.101 1.00 2.12 C ATOM 107 CG ASP A 16 -13.219 1.207 -2.185 1.00 72.00 C ATOM 108 OD1 ASP A 16 -13.454 1.704 -3.308 1.00 64.20 O ATOM 109 OD2 ASP A 16 -13.756 1.609 -1.132 1.00 22.40 O ATOM 0 H ASP A 16 -10.646 -1.764 -2.643 1.00 30.30 H new ATOM 0 HA ASP A 16 -11.318 0.693 -3.935 1.00 1.41 H new ATOM 0 HB2 ASP A 16 -12.740 -0.866 -2.404 1.00 2.12 H new ATOM 0 HB3 ASP A 16 -11.927 -0.079 -1.065 1.00 2.12 H new ATOM 114 N LEU A 17 -9.254 0.756 -1.373 1.00 54.30 N ATOM 115 CA LEU A 17 -8.300 1.592 -0.654 1.00 43.10 C ATOM 116 C LEU A 17 -7.141 1.996 -1.560 1.00 3.44 C ATOM 117 O LEU A 17 -6.684 3.139 -1.527 1.00 74.40 O ATOM 118 CB LEU A 17 -7.768 0.854 0.576 1.00 34.40 C ATOM 119 CG LEU A 17 -8.764 0.716 1.728 1.00 52.10 C ATOM 120 CD1 LEU A 17 -8.265 -0.298 2.747 1.00 21.40 C ATOM 121 CD2 LEU A 17 -9.003 2.065 2.390 1.00 71.40 C ATOM 0 H LEU A 17 -9.245 -0.226 -1.098 1.00 54.30 H new ATOM 0 HA LEU A 17 -8.818 2.495 -0.331 1.00 43.10 H new ATOM 0 HB2 LEU A 17 -7.446 -0.142 0.272 1.00 34.40 H new ATOM 0 HB3 LEU A 17 -6.884 1.377 0.941 1.00 34.40 H new ATOM 0 HG LEU A 17 -9.711 0.358 1.323 1.00 52.10 H new ATOM 0 HD11 LEU A 17 -8.987 -0.383 3.559 1.00 21.40 H new ATOM 0 HD12 LEU A 17 -8.145 -1.269 2.266 1.00 21.40 H new ATOM 0 HD13 LEU A 17 -7.306 0.030 3.147 1.00 21.40 H new ATOM 0 HD21 LEU A 17 -9.714 1.948 3.208 1.00 71.40 H new ATOM 0 HD22 LEU A 17 -8.061 2.451 2.781 1.00 71.40 H new ATOM 0 HD23 LEU A 17 -9.405 2.764 1.657 1.00 71.40 H new ATOM 133 N ALA A 18 -6.668 1.051 -2.366 1.00 13.30 N ATOM 134 CA ALA A 18 -5.563 1.309 -3.279 1.00 73.40 C ATOM 135 C ALA A 18 -5.996 2.219 -4.423 1.00 23.30 C ATOM 136 O ALA A 18 -5.211 3.029 -4.917 1.00 33.00 O ATOM 137 CB ALA A 18 -5.013 -0.002 -3.824 1.00 63.00 C ATOM 0 H ALA A 18 -7.034 0.100 -2.405 1.00 13.30 H new ATOM 0 HA ALA A 18 -4.776 1.819 -2.723 1.00 73.40 H new ATOM 0 HB1 ALA A 18 -4.188 0.205 -4.505 1.00 63.00 H new ATOM 0 HB2 ALA A 18 -4.657 -0.618 -2.999 1.00 63.00 H new ATOM 0 HB3 ALA A 18 -5.801 -0.533 -4.359 1.00 63.00 H new ATOM 143 N SER A 19 -7.251 2.081 -4.840 1.00 2.22 N ATOM 144 CA SER A 19 -7.788 2.891 -5.926 1.00 54.10 C ATOM 145 C SER A 19 -8.083 4.311 -5.452 1.00 14.40 C ATOM 146 O SER A 19 -7.868 5.277 -6.184 1.00 32.10 O ATOM 147 CB SER A 19 -9.062 2.253 -6.484 1.00 22.20 C ATOM 148 OG SER A 19 -9.441 2.866 -7.700 1.00 32.40 O ATOM 0 H SER A 19 -7.914 1.416 -4.442 1.00 2.22 H new ATOM 0 HA SER A 19 -7.038 2.939 -6.715 1.00 54.10 H new ATOM 0 HB2 SER A 19 -8.900 1.187 -6.644 1.00 22.20 H new ATOM 0 HB3 SER A 19 -9.869 2.347 -5.757 1.00 22.20 H new ATOM 0 HG SER A 19 -10.257 2.442 -8.040 1.00 32.40 H new ATOM 154 N LYS A 20 -8.574 4.429 -4.223 1.00 21.10 N ATOM 155 CA LYS A 20 -8.897 5.730 -3.651 1.00 71.10 C ATOM 156 C LYS A 20 -7.629 6.481 -3.258 1.00 13.10 C ATOM 157 O LYS A 20 -7.543 7.699 -3.417 1.00 21.50 O ATOM 158 CB LYS A 20 -9.805 5.564 -2.431 1.00 63.00 C ATOM 159 CG LYS A 20 -10.752 6.732 -2.213 1.00 41.30 C ATOM 160 CD LYS A 20 -12.084 6.270 -1.644 1.00 61.30 C ATOM 161 CE LYS A 20 -12.942 7.447 -1.209 1.00 11.50 C ATOM 162 NZ LYS A 20 -13.870 7.080 -0.104 1.00 4.32 N ATOM 0 H LYS A 20 -8.757 3.639 -3.604 1.00 21.10 H new ATOM 0 HA LYS A 20 -9.422 6.312 -4.409 1.00 71.10 H new ATOM 0 HB2 LYS A 20 -10.389 4.650 -2.545 1.00 63.00 H new ATOM 0 HB3 LYS A 20 -9.186 5.438 -1.543 1.00 63.00 H new ATOM 0 HG2 LYS A 20 -10.294 7.451 -1.533 1.00 41.30 H new ATOM 0 HG3 LYS A 20 -10.918 7.248 -3.158 1.00 41.30 H new ATOM 0 HD2 LYS A 20 -12.618 5.686 -2.394 1.00 61.30 H new ATOM 0 HD3 LYS A 20 -11.909 5.612 -0.793 1.00 61.30 H new ATOM 0 HE2 LYS A 20 -12.299 8.265 -0.886 1.00 11.50 H new ATOM 0 HE3 LYS A 20 -13.517 7.811 -2.060 1.00 11.50 H new ATOM 0 HZ1 LYS A 20 -14.437 7.910 0.163 1.00 4.32 H new ATOM 0 HZ2 LYS A 20 -14.501 6.317 -0.420 1.00 4.32 H new ATOM 0 HZ3 LYS A 20 -13.321 6.757 0.718 1.00 4.32 H new ATOM 176 N ALA A 21 -6.648 5.748 -2.744 1.00 74.30 N ATOM 177 CA ALA A 21 -5.385 6.345 -2.328 1.00 51.40 C ATOM 178 C ALA A 21 -4.690 7.032 -3.498 1.00 71.10 C ATOM 179 O ALA A 21 -4.298 8.195 -3.404 1.00 35.00 O ATOM 180 CB ALA A 21 -4.476 5.286 -1.721 1.00 41.50 C ATOM 0 H ALA A 21 -6.703 4.739 -2.605 1.00 74.30 H new ATOM 0 HA ALA A 21 -5.601 7.101 -1.573 1.00 51.40 H new ATOM 0 HB1 ALA A 21 -3.536 5.745 -1.415 1.00 41.50 H new ATOM 0 HB2 ALA A 21 -4.963 4.843 -0.853 1.00 41.50 H new ATOM 0 HB3 ALA A 21 -4.277 4.510 -2.460 1.00 41.50 H new ATOM 186 N ALA A 22 -4.542 6.306 -4.602 1.00 53.30 N ATOM 187 CA ALA A 22 -3.895 6.846 -5.791 1.00 42.30 C ATOM 188 C ALA A 22 -4.685 8.020 -6.360 1.00 44.10 C ATOM 189 O ALA A 22 -4.108 8.977 -6.876 1.00 52.10 O ATOM 190 CB ALA A 22 -3.732 5.759 -6.842 1.00 62.40 C ATOM 0 H ALA A 22 -4.862 5.342 -4.697 1.00 53.30 H new ATOM 0 HA ALA A 22 -2.908 7.210 -5.504 1.00 42.30 H new ATOM 0 HB1 ALA A 22 -3.247 6.176 -7.725 1.00 62.40 H new ATOM 0 HB2 ALA A 22 -3.120 4.952 -6.439 1.00 62.40 H new ATOM 0 HB3 ALA A 22 -4.712 5.368 -7.116 1.00 62.40 H new ATOM 196 N GLN A 23 -6.008 7.939 -6.262 1.00 4.10 N ATOM 197 CA GLN A 23 -6.877 8.995 -6.768 1.00 33.20 C ATOM 198 C GLN A 23 -6.631 10.305 -6.025 1.00 22.50 C ATOM 199 O GLN A 23 -6.759 11.387 -6.597 1.00 53.10 O ATOM 200 CB GLN A 23 -8.345 8.585 -6.630 1.00 41.20 C ATOM 201 CG GLN A 23 -9.244 9.179 -7.702 1.00 51.50 C ATOM 202 CD GLN A 23 -10.028 10.378 -7.207 1.00 74.10 C ATOM 203 OE1 GLN A 23 -11.223 10.282 -6.928 1.00 5.11 O ATOM 204 NE2 GLN A 23 -9.357 11.519 -7.096 1.00 34.20 N ATOM 0 H GLN A 23 -6.501 7.154 -5.837 1.00 4.10 H new ATOM 0 HA GLN A 23 -6.646 9.147 -7.822 1.00 33.20 H new ATOM 0 HB2 GLN A 23 -8.416 7.498 -6.669 1.00 41.20 H new ATOM 0 HB3 GLN A 23 -8.709 8.893 -5.650 1.00 41.20 H new ATOM 0 HG2 GLN A 23 -8.637 9.475 -8.557 1.00 51.50 H new ATOM 0 HG3 GLN A 23 -9.938 8.415 -8.053 1.00 51.50 H new ATOM 0 HE21 GLN A 23 -8.367 11.554 -7.338 1.00 34.20 H new ATOM 0 HE22 GLN A 23 -9.832 12.360 -6.769 1.00 34.20 H new ATOM 213 N GLU A 24 -6.277 10.197 -4.749 1.00 70.50 N ATOM 214 CA GLU A 24 -6.013 11.374 -3.927 1.00 32.10 C ATOM 215 C GLU A 24 -4.650 11.973 -4.258 1.00 23.50 C ATOM 216 O GLU A 24 -4.461 13.187 -4.188 1.00 51.50 O ATOM 217 CB GLU A 24 -6.077 11.009 -2.443 1.00 22.20 C ATOM 218 CG GLU A 24 -7.465 11.149 -1.841 1.00 22.10 C ATOM 219 CD GLU A 24 -8.408 10.049 -2.289 1.00 13.20 C ATOM 220 OE1 GLU A 24 -8.823 10.066 -3.467 1.00 33.50 O ATOM 221 OE2 GLU A 24 -8.730 9.170 -1.462 1.00 1.24 O ATOM 0 H GLU A 24 -6.166 9.308 -4.261 1.00 70.50 H new ATOM 0 HA GLU A 24 -6.779 12.119 -4.144 1.00 32.10 H new ATOM 0 HB2 GLU A 24 -5.737 9.981 -2.315 1.00 22.20 H new ATOM 0 HB3 GLU A 24 -5.385 11.645 -1.891 1.00 22.20 H new ATOM 0 HG2 GLU A 24 -7.388 11.137 -0.754 1.00 22.10 H new ATOM 0 HG3 GLU A 24 -7.882 12.116 -2.120 1.00 22.10 H new ATOM 228 N ASP A 25 -3.703 11.113 -4.619 1.00 5.11 N ATOM 229 CA ASP A 25 -2.357 11.557 -4.961 1.00 73.10 C ATOM 230 C ASP A 25 -2.385 12.513 -6.149 1.00 50.40 C ATOM 231 O ASP A 25 -1.716 13.547 -6.144 1.00 42.40 O ATOM 232 CB ASP A 25 -1.466 10.355 -5.280 1.00 12.10 C ATOM 233 CG ASP A 25 0.004 10.725 -5.338 1.00 63.30 C ATOM 234 OD1 ASP A 25 0.353 11.652 -6.100 1.00 45.20 O ATOM 235 OD2 ASP A 25 0.805 10.088 -4.623 1.00 45.40 O ATOM 0 H ASP A 25 -3.843 10.105 -4.682 1.00 5.11 H new ATOM 0 HA ASP A 25 -1.947 12.086 -4.101 1.00 73.10 H new ATOM 0 HB2 ASP A 25 -1.615 9.585 -4.523 1.00 12.10 H new ATOM 0 HB3 ASP A 25 -1.768 9.926 -6.235 1.00 12.10 H new ATOM 240 N LYS A 26 -3.163 12.161 -7.167 1.00 12.20 N ATOM 241 CA LYS A 26 -3.279 12.987 -8.363 1.00 23.20 C ATOM 242 C LYS A 26 -4.256 14.136 -8.138 1.00 51.10 C ATOM 243 O LYS A 26 -4.101 15.217 -8.706 1.00 21.40 O ATOM 244 CB LYS A 26 -3.735 12.139 -9.552 1.00 14.10 C ATOM 245 CG LYS A 26 -5.017 11.366 -9.292 1.00 41.00 C ATOM 246 CD LYS A 26 -5.740 11.034 -10.587 1.00 41.30 C ATOM 247 CE LYS A 26 -6.261 12.286 -11.268 1.00 44.20 C ATOM 248 NZ LYS A 26 -6.964 13.191 -10.322 1.00 13.10 N ATOM 0 H LYS A 26 -3.723 11.309 -7.188 1.00 12.20 H new ATOM 0 HA LYS A 26 -2.297 13.407 -8.581 1.00 23.20 H new ATOM 0 HB2 LYS A 26 -3.881 12.788 -10.416 1.00 14.10 H new ATOM 0 HB3 LYS A 26 -2.943 11.436 -9.811 1.00 14.10 H new ATOM 0 HG2 LYS A 26 -4.786 10.445 -8.757 1.00 41.00 H new ATOM 0 HG3 LYS A 26 -5.672 11.953 -8.648 1.00 41.00 H new ATOM 0 HD2 LYS A 26 -5.062 10.508 -11.259 1.00 41.30 H new ATOM 0 HD3 LYS A 26 -6.570 10.359 -10.379 1.00 41.30 H new ATOM 0 HE2 LYS A 26 -5.429 12.820 -11.728 1.00 44.20 H new ATOM 0 HE3 LYS A 26 -6.942 12.004 -12.071 1.00 44.20 H new ATOM 0 HZ1 LYS A 26 -7.667 13.756 -10.840 1.00 13.10 H new ATOM 0 HZ2 LYS A 26 -7.443 12.626 -9.592 1.00 13.10 H new ATOM 0 HZ3 LYS A 26 -6.274 13.825 -9.871 1.00 13.10 H new ATOM 262 N ALA A 27 -5.264 13.894 -7.306 1.00 12.30 N ATOM 263 CA ALA A 27 -6.266 14.910 -7.005 1.00 75.10 C ATOM 264 C ALA A 27 -5.648 16.092 -6.269 1.00 20.30 C ATOM 265 O ALA A 27 -6.001 17.245 -6.518 1.00 4.42 O ATOM 266 CB ALA A 27 -7.396 14.306 -6.183 1.00 23.40 C ATOM 0 H ALA A 27 -5.408 13.004 -6.829 1.00 12.30 H new ATOM 0 HA ALA A 27 -6.671 15.277 -7.948 1.00 75.10 H new ATOM 0 HB1 ALA A 27 -8.138 15.074 -5.965 1.00 23.40 H new ATOM 0 HB2 ALA A 27 -7.864 13.499 -6.746 1.00 23.40 H new ATOM 0 HB3 ALA A 27 -6.996 13.912 -5.249 1.00 23.40 H new ATOM 272 N GLY A 28 -4.720 15.800 -5.363 1.00 63.40 N ATOM 273 CA GLY A 28 -4.067 16.850 -4.605 1.00 75.20 C ATOM 274 C GLY A 28 -3.924 16.504 -3.136 1.00 45.40 C ATOM 275 O GLY A 28 -3.001 16.971 -2.469 1.00 74.10 O ATOM 0 H GLY A 28 -4.409 14.854 -5.141 1.00 63.40 H new ATOM 0 HA2 GLY A 28 -3.080 17.039 -5.028 1.00 75.20 H new ATOM 0 HA3 GLY A 28 -4.638 17.773 -4.703 1.00 75.20 H new ATOM 279 N ASN A 29 -4.838 15.682 -2.633 1.00 60.20 N ATOM 280 CA ASN A 29 -4.810 15.273 -1.233 1.00 73.40 C ATOM 281 C ASN A 29 -3.511 14.545 -0.905 1.00 41.20 C ATOM 282 O ASN A 29 -2.824 14.047 -1.796 1.00 64.20 O ATOM 283 CB ASN A 29 -6.006 14.373 -0.919 1.00 74.00 C ATOM 284 CG ASN A 29 -7.292 15.157 -0.752 1.00 1.45 C ATOM 285 OD1 ASN A 29 -7.278 16.385 -0.675 1.00 73.50 O ATOM 286 ND2 ASN A 29 -8.415 14.450 -0.696 1.00 5.11 N ATOM 0 H ASN A 29 -5.607 15.286 -3.173 1.00 60.20 H new ATOM 0 HA ASN A 29 -4.868 16.170 -0.617 1.00 73.40 H new ATOM 0 HB2 ASN A 29 -6.129 13.645 -1.721 1.00 74.00 H new ATOM 0 HB3 ASN A 29 -5.805 13.812 -0.007 1.00 74.00 H new ATOM 0 HD21 ASN A 29 -9.311 14.924 -0.585 1.00 5.11 H new ATOM 0 HD22 ASN A 29 -8.381 13.433 -0.764 1.00 5.11 H new ATOM 293 N TYR A 30 -3.180 14.485 0.381 1.00 40.30 N ATOM 294 CA TYR A 30 -1.962 13.818 0.827 1.00 21.40 C ATOM 295 C TYR A 30 -2.191 13.094 2.150 1.00 35.10 C ATOM 296 O TYR A 30 -1.814 11.933 2.308 1.00 33.10 O ATOM 297 CB TYR A 30 -0.826 14.830 0.977 1.00 3.45 C ATOM 298 CG TYR A 30 -0.512 15.582 -0.297 1.00 25.10 C ATOM 299 CD1 TYR A 30 -0.234 14.903 -1.476 1.00 35.20 C ATOM 300 CD2 TYR A 30 -0.492 16.971 -0.320 1.00 64.20 C ATOM 301 CE1 TYR A 30 0.053 15.585 -2.642 1.00 22.30 C ATOM 302 CE2 TYR A 30 -0.206 17.662 -1.482 1.00 33.40 C ATOM 303 CZ TYR A 30 0.066 16.964 -2.641 1.00 74.40 C ATOM 304 OH TYR A 30 0.352 17.648 -3.799 1.00 73.20 O ATOM 0 H TYR A 30 -3.738 14.890 1.132 1.00 40.30 H new ATOM 0 HA TYR A 30 -1.685 13.081 0.073 1.00 21.40 H new ATOM 0 HB2 TYR A 30 -1.089 15.546 1.756 1.00 3.45 H new ATOM 0 HB3 TYR A 30 0.071 14.309 1.312 1.00 3.45 H new ATOM 0 HD1 TYR A 30 -0.242 13.823 -1.481 1.00 35.20 H new ATOM 0 HD2 TYR A 30 -0.704 17.520 0.586 1.00 64.20 H new ATOM 0 HE1 TYR A 30 0.266 15.041 -3.550 1.00 22.30 H new ATOM 0 HE2 TYR A 30 -0.195 18.742 -1.483 1.00 33.40 H new ATOM 0 HH TYR A 30 0.318 18.612 -3.626 1.00 73.20 H new ATOM 314 N GLU A 31 -2.813 13.788 3.099 1.00 13.20 N ATOM 315 CA GLU A 31 -3.092 13.211 4.409 1.00 33.40 C ATOM 316 C GLU A 31 -3.967 11.969 4.283 1.00 14.30 C ATOM 317 O GLU A 31 -3.638 10.909 4.813 1.00 64.50 O ATOM 318 CB GLU A 31 -3.778 14.243 5.307 1.00 32.50 C ATOM 319 CG GLU A 31 -3.395 14.123 6.774 1.00 71.20 C ATOM 320 CD GLU A 31 -4.204 15.046 7.664 1.00 44.20 C ATOM 321 OE1 GLU A 31 -3.957 16.269 7.632 1.00 22.50 O ATOM 322 OE2 GLU A 31 -5.084 14.544 8.394 1.00 63.30 O ATOM 0 H GLU A 31 -3.133 14.750 2.985 1.00 13.20 H new ATOM 0 HA GLU A 31 -2.143 12.919 4.859 1.00 33.40 H new ATOM 0 HB2 GLU A 31 -3.526 15.243 4.955 1.00 32.50 H new ATOM 0 HB3 GLU A 31 -4.858 14.134 5.212 1.00 32.50 H new ATOM 0 HG2 GLU A 31 -3.537 13.093 7.100 1.00 71.20 H new ATOM 0 HG3 GLU A 31 -2.335 14.350 6.889 1.00 71.20 H new ATOM 329 N GLU A 32 -5.084 12.107 3.575 1.00 55.30 N ATOM 330 CA GLU A 32 -6.007 10.996 3.379 1.00 44.40 C ATOM 331 C GLU A 32 -5.408 9.951 2.443 1.00 52.40 C ATOM 332 O GLU A 32 -5.677 8.756 2.577 1.00 34.50 O ATOM 333 CB GLU A 32 -7.336 11.502 2.813 1.00 33.40 C ATOM 334 CG GLU A 32 -7.175 12.416 1.610 1.00 42.40 C ATOM 335 CD GLU A 32 -7.358 13.880 1.961 1.00 32.40 C ATOM 336 OE1 GLU A 32 -8.518 14.344 1.985 1.00 50.00 O ATOM 337 OE2 GLU A 32 -6.342 14.561 2.213 1.00 52.00 O ATOM 0 H GLU A 32 -5.371 12.978 3.128 1.00 55.30 H new ATOM 0 HA GLU A 32 -6.187 10.531 4.348 1.00 44.40 H new ATOM 0 HB2 GLU A 32 -7.950 10.647 2.530 1.00 33.40 H new ATOM 0 HB3 GLU A 32 -7.875 12.036 3.595 1.00 33.40 H new ATOM 0 HG2 GLU A 32 -6.185 12.271 1.178 1.00 42.40 H new ATOM 0 HG3 GLU A 32 -7.900 12.136 0.846 1.00 42.40 H new ATOM 344 N ALA A 33 -4.594 10.408 1.497 1.00 42.10 N ATOM 345 CA ALA A 33 -3.956 9.511 0.540 1.00 72.30 C ATOM 346 C ALA A 33 -2.869 8.678 1.209 1.00 35.50 C ATOM 347 O ALA A 33 -2.718 7.491 0.921 1.00 13.40 O ATOM 348 CB ALA A 33 -3.377 10.307 -0.620 1.00 64.40 C ATOM 0 H ALA A 33 -4.361 11.393 1.373 1.00 42.10 H new ATOM 0 HA ALA A 33 -4.714 8.828 0.156 1.00 72.30 H new ATOM 0 HB1 ALA A 33 -2.903 9.627 -1.328 1.00 64.40 H new ATOM 0 HB2 ALA A 33 -4.176 10.853 -1.121 1.00 64.40 H new ATOM 0 HB3 ALA A 33 -2.636 11.012 -0.243 1.00 64.40 H new ATOM 354 N LEU A 34 -2.115 9.308 2.104 1.00 3.20 N ATOM 355 CA LEU A 34 -1.041 8.623 2.814 1.00 32.40 C ATOM 356 C LEU A 34 -1.586 7.455 3.628 1.00 53.10 C ATOM 357 O LEU A 34 -1.098 6.329 3.519 1.00 50.20 O ATOM 358 CB LEU A 34 -0.305 9.601 3.734 1.00 63.30 C ATOM 359 CG LEU A 34 0.818 8.985 4.568 1.00 11.30 C ATOM 360 CD1 LEU A 34 1.811 8.259 3.674 1.00 45.40 C ATOM 361 CD2 LEU A 34 1.520 10.056 5.388 1.00 35.00 C ATOM 0 H LEU A 34 -2.228 10.290 2.355 1.00 3.20 H new ATOM 0 HA LEU A 34 -0.341 8.233 2.075 1.00 32.40 H new ATOM 0 HB2 LEU A 34 0.113 10.403 3.126 1.00 63.30 H new ATOM 0 HB3 LEU A 34 -1.030 10.057 4.409 1.00 63.30 H new ATOM 0 HG LEU A 34 0.380 8.259 5.253 1.00 11.30 H new ATOM 0 HD11 LEU A 34 2.603 7.827 4.286 1.00 45.40 H new ATOM 0 HD12 LEU A 34 1.299 7.465 3.131 1.00 45.40 H new ATOM 0 HD13 LEU A 34 2.244 8.964 2.964 1.00 45.40 H new ATOM 0 HD21 LEU A 34 2.317 9.600 5.976 1.00 35.00 H new ATOM 0 HD22 LEU A 34 1.945 10.805 4.720 1.00 35.00 H new ATOM 0 HD23 LEU A 34 0.802 10.531 6.057 1.00 35.00 H new ATOM 373 N GLN A 35 -2.598 7.729 4.444 1.00 64.50 N ATOM 374 CA GLN A 35 -3.209 6.700 5.276 1.00 14.10 C ATOM 375 C GLN A 35 -3.863 5.622 4.417 1.00 65.20 C ATOM 376 O GLN A 35 -3.827 4.439 4.754 1.00 13.10 O ATOM 377 CB GLN A 35 -4.248 7.321 6.213 1.00 41.20 C ATOM 378 CG GLN A 35 -3.656 7.857 7.507 1.00 24.00 C ATOM 379 CD GLN A 35 -4.531 7.566 8.711 1.00 43.00 C ATOM 380 OE1 GLN A 35 -5.517 8.260 8.958 1.00 63.00 O ATOM 381 NE2 GLN A 35 -4.173 6.536 9.467 1.00 12.40 N ATOM 0 H GLN A 35 -3.012 8.655 4.547 1.00 64.50 H new ATOM 0 HA GLN A 35 -2.423 6.237 5.872 1.00 14.10 H new ATOM 0 HB2 GLN A 35 -4.756 8.132 5.692 1.00 41.20 H new ATOM 0 HB3 GLN A 35 -5.004 6.573 6.451 1.00 41.20 H new ATOM 0 HG2 GLN A 35 -2.671 7.416 7.662 1.00 24.00 H new ATOM 0 HG3 GLN A 35 -3.512 8.934 7.418 1.00 24.00 H new ATOM 0 HE21 GLN A 35 -3.348 5.988 9.225 1.00 12.40 H new ATOM 0 HE22 GLN A 35 -4.723 6.292 10.291 1.00 12.40 H new ATOM 390 N LEU A 36 -4.459 6.040 3.305 1.00 42.20 N ATOM 391 CA LEU A 36 -5.121 5.111 2.397 1.00 42.10 C ATOM 392 C LEU A 36 -4.105 4.204 1.711 1.00 74.20 C ATOM 393 O LEU A 36 -4.374 3.029 1.461 1.00 11.40 O ATOM 394 CB LEU A 36 -5.929 5.877 1.349 1.00 51.20 C ATOM 395 CG LEU A 36 -7.237 6.484 1.856 1.00 15.30 C ATOM 396 CD1 LEU A 36 -7.762 7.519 0.873 1.00 33.10 C ATOM 397 CD2 LEU A 36 -8.273 5.396 2.090 1.00 74.30 C ATOM 0 H LEU A 36 -4.497 7.016 3.011 1.00 42.20 H new ATOM 0 HA LEU A 36 -5.798 4.489 2.983 1.00 42.10 H new ATOM 0 HB2 LEU A 36 -5.307 6.677 0.946 1.00 51.20 H new ATOM 0 HB3 LEU A 36 -6.155 5.203 0.523 1.00 51.20 H new ATOM 0 HG LEU A 36 -7.040 6.982 2.805 1.00 15.30 H new ATOM 0 HD11 LEU A 36 -8.694 7.940 1.251 1.00 33.10 H new ATOM 0 HD12 LEU A 36 -7.026 8.314 0.754 1.00 33.10 H new ATOM 0 HD13 LEU A 36 -7.943 7.045 -0.092 1.00 33.10 H new ATOM 0 HD21 LEU A 36 -9.198 5.846 2.451 1.00 74.30 H new ATOM 0 HD22 LEU A 36 -8.466 4.870 1.155 1.00 74.30 H new ATOM 0 HD23 LEU A 36 -7.899 4.691 2.832 1.00 74.30 H new ATOM 409 N TYR A 37 -2.935 4.759 1.408 1.00 64.00 N ATOM 410 CA TYR A 37 -1.877 4.000 0.751 1.00 64.20 C ATOM 411 C TYR A 37 -1.449 2.811 1.604 1.00 73.30 C ATOM 412 O TYR A 37 -1.379 1.681 1.122 1.00 34.10 O ATOM 413 CB TYR A 37 -0.673 4.901 0.470 1.00 51.20 C ATOM 414 CG TYR A 37 -0.731 5.588 -0.876 1.00 63.30 C ATOM 415 CD1 TYR A 37 -1.085 4.885 -2.020 1.00 61.10 C ATOM 416 CD2 TYR A 37 -0.429 6.938 -1.002 1.00 54.20 C ATOM 417 CE1 TYR A 37 -1.138 5.509 -3.253 1.00 34.30 C ATOM 418 CE2 TYR A 37 -0.480 7.569 -2.230 1.00 50.30 C ATOM 419 CZ TYR A 37 -0.835 6.851 -3.353 1.00 41.10 C ATOM 420 OH TYR A 37 -0.887 7.475 -4.577 1.00 51.40 O ATOM 0 H TYR A 37 -2.696 5.731 1.607 1.00 64.00 H new ATOM 0 HA TYR A 37 -2.268 3.623 -0.194 1.00 64.20 H new ATOM 0 HB2 TYR A 37 -0.606 5.657 1.252 1.00 51.20 H new ATOM 0 HB3 TYR A 37 0.237 4.304 0.525 1.00 51.20 H new ATOM 0 HD1 TYR A 37 -1.323 3.834 -1.946 1.00 61.10 H new ATOM 0 HD2 TYR A 37 -0.150 7.504 -0.125 1.00 54.20 H new ATOM 0 HE1 TYR A 37 -1.415 4.948 -4.133 1.00 34.30 H new ATOM 0 HE2 TYR A 37 -0.243 8.620 -2.310 1.00 50.30 H new ATOM 0 HH TYR A 37 -0.834 6.804 -5.289 1.00 51.40 H new ATOM 430 N GLN A 38 -1.163 3.074 2.875 1.00 33.10 N ATOM 431 CA GLN A 38 -0.742 2.025 3.796 1.00 31.30 C ATOM 432 C GLN A 38 -1.869 1.025 4.033 1.00 23.30 C ATOM 433 O GLN A 38 -1.645 -0.186 4.044 1.00 42.40 O ATOM 434 CB GLN A 38 -0.297 2.634 5.128 1.00 62.40 C ATOM 435 CG GLN A 38 0.940 3.509 5.012 1.00 3.54 C ATOM 436 CD GLN A 38 1.115 4.430 6.204 1.00 65.00 C ATOM 437 OE1 GLN A 38 1.041 3.997 7.354 1.00 50.50 O ATOM 438 NE2 GLN A 38 1.350 5.709 5.934 1.00 34.30 N ATOM 0 H GLN A 38 -1.215 4.004 3.290 1.00 33.10 H new ATOM 0 HA GLN A 38 0.099 1.498 3.346 1.00 31.30 H new ATOM 0 HB2 GLN A 38 -1.114 3.227 5.538 1.00 62.40 H new ATOM 0 HB3 GLN A 38 -0.099 1.831 5.837 1.00 62.40 H new ATOM 0 HG2 GLN A 38 1.821 2.875 4.914 1.00 3.54 H new ATOM 0 HG3 GLN A 38 0.875 4.106 4.102 1.00 3.54 H new ATOM 0 HE21 GLN A 38 1.403 6.024 4.965 1.00 34.30 H new ATOM 0 HE22 GLN A 38 1.477 6.376 6.695 1.00 34.30 H new ATOM 447 N HIS A 39 -3.079 1.539 4.222 1.00 62.30 N ATOM 448 CA HIS A 39 -4.242 0.689 4.459 1.00 70.40 C ATOM 449 C HIS A 39 -4.484 -0.242 3.277 1.00 13.40 C ATOM 450 O HIS A 39 -4.720 -1.438 3.453 1.00 54.30 O ATOM 451 CB HIS A 39 -5.483 1.548 4.710 1.00 42.40 C ATOM 452 CG HIS A 39 -5.479 2.231 6.042 1.00 21.40 C ATOM 453 ND1 HIS A 39 -6.579 2.882 6.558 1.00 53.00 N ATOM 454 CD2 HIS A 39 -4.499 2.363 6.967 1.00 62.50 C ATOM 455 CE1 HIS A 39 -6.277 3.386 7.741 1.00 24.30 C ATOM 456 NE2 HIS A 39 -5.021 3.084 8.013 1.00 63.20 N ATOM 0 H HIS A 39 -3.281 2.539 4.216 1.00 62.30 H new ATOM 0 HA HIS A 39 -4.044 0.081 5.342 1.00 70.40 H new ATOM 0 HB2 HIS A 39 -5.559 2.301 3.925 1.00 42.40 H new ATOM 0 HB3 HIS A 39 -6.371 0.920 4.636 1.00 42.40 H new ATOM 0 HD2 HIS A 39 -3.494 1.974 6.896 1.00 62.50 H new ATOM 0 HE1 HIS A 39 -6.944 3.949 8.377 1.00 24.30 H new ATOM 0 HE2 HIS A 39 -4.519 3.344 8.862 1.00 63.20 H new ATOM 465 N ALA A 40 -4.423 0.312 2.071 1.00 15.00 N ATOM 466 CA ALA A 40 -4.636 -0.470 0.859 1.00 32.40 C ATOM 467 C ALA A 40 -3.613 -1.594 0.744 1.00 34.20 C ATOM 468 O ALA A 40 -3.970 -2.754 0.537 1.00 2.23 O ATOM 469 CB ALA A 40 -4.574 0.430 -0.367 1.00 4.13 C ATOM 0 H ALA A 40 -4.228 1.300 1.907 1.00 15.00 H new ATOM 0 HA ALA A 40 -5.627 -0.921 0.916 1.00 32.40 H new ATOM 0 HB1 ALA A 40 -4.735 -0.167 -1.265 1.00 4.13 H new ATOM 0 HB2 ALA A 40 -5.347 1.195 -0.296 1.00 4.13 H new ATOM 0 HB3 ALA A 40 -3.595 0.907 -0.419 1.00 4.13 H new ATOM 475 N VAL A 41 -2.339 -1.243 0.880 1.00 35.00 N ATOM 476 CA VAL A 41 -1.262 -2.223 0.793 1.00 62.10 C ATOM 477 C VAL A 41 -1.367 -3.253 1.913 1.00 25.20 C ATOM 478 O VAL A 41 -1.014 -4.419 1.732 1.00 12.20 O ATOM 479 CB VAL A 41 0.122 -1.547 0.858 1.00 12.10 C ATOM 480 CG1 VAL A 41 1.226 -2.563 0.611 1.00 11.30 C ATOM 481 CG2 VAL A 41 0.207 -0.403 -0.142 1.00 41.20 C ATOM 0 H VAL A 41 -2.027 -0.287 1.051 1.00 35.00 H new ATOM 0 HA VAL A 41 -1.366 -2.724 -0.170 1.00 62.10 H new ATOM 0 HB VAL A 41 0.256 -1.135 1.858 1.00 12.10 H new ATOM 0 HG11 VAL A 41 2.195 -2.067 0.661 1.00 11.30 H new ATOM 0 HG12 VAL A 41 1.179 -3.344 1.370 1.00 11.30 H new ATOM 0 HG13 VAL A 41 1.097 -3.008 -0.376 1.00 11.30 H new ATOM 0 HG21 VAL A 41 1.191 0.061 -0.081 1.00 41.20 H new ATOM 0 HG22 VAL A 41 0.049 -0.788 -1.150 1.00 41.20 H new ATOM 0 HG23 VAL A 41 -0.559 0.338 0.087 1.00 41.20 H new ATOM 491 N GLN A 42 -1.852 -2.814 3.069 1.00 3.44 N ATOM 492 CA GLN A 42 -2.003 -3.699 4.219 1.00 10.20 C ATOM 493 C GLN A 42 -2.975 -4.832 3.910 1.00 42.20 C ATOM 494 O GLN A 42 -2.730 -5.987 4.261 1.00 34.20 O ATOM 495 CB GLN A 42 -2.492 -2.909 5.435 1.00 72.30 C ATOM 496 CG GLN A 42 -1.370 -2.292 6.252 1.00 13.50 C ATOM 497 CD GLN A 42 -1.606 -2.404 7.745 1.00 2.34 C ATOM 498 OE1 GLN A 42 -1.923 -1.418 8.411 1.00 35.30 O ATOM 499 NE2 GLN A 42 -1.451 -3.609 8.281 1.00 15.10 N ATOM 0 H GLN A 42 -2.147 -1.852 3.235 1.00 3.44 H new ATOM 0 HA GLN A 42 -1.028 -4.132 4.443 1.00 10.20 H new ATOM 0 HB2 GLN A 42 -3.162 -2.118 5.098 1.00 72.30 H new ATOM 0 HB3 GLN A 42 -3.076 -3.570 6.076 1.00 72.30 H new ATOM 0 HG2 GLN A 42 -0.430 -2.782 5.999 1.00 13.50 H new ATOM 0 HG3 GLN A 42 -1.265 -1.241 5.982 1.00 13.50 H new ATOM 0 HE21 GLN A 42 -1.188 -4.399 7.692 1.00 15.10 H new ATOM 0 HE22 GLN A 42 -1.595 -3.745 9.282 1.00 15.10 H new ATOM 508 N TYR A 43 -4.078 -4.496 3.250 1.00 25.00 N ATOM 509 CA TYR A 43 -5.087 -5.487 2.893 1.00 25.30 C ATOM 510 C TYR A 43 -4.596 -6.378 1.758 1.00 21.40 C ATOM 511 O TYR A 43 -4.921 -7.565 1.701 1.00 12.30 O ATOM 512 CB TYR A 43 -6.390 -4.795 2.488 1.00 45.00 C ATOM 513 CG TYR A 43 -7.329 -4.544 3.647 1.00 51.40 C ATOM 514 CD1 TYR A 43 -7.223 -3.391 4.414 1.00 24.40 C ATOM 515 CD2 TYR A 43 -8.322 -5.461 3.972 1.00 22.00 C ATOM 516 CE1 TYR A 43 -8.079 -3.158 5.473 1.00 3.04 C ATOM 517 CE2 TYR A 43 -9.182 -5.234 5.030 1.00 34.20 C ATOM 518 CZ TYR A 43 -9.056 -4.082 5.777 1.00 45.40 C ATOM 519 OH TYR A 43 -9.910 -3.853 6.831 1.00 23.30 O ATOM 0 H TYR A 43 -4.296 -3.545 2.951 1.00 25.00 H new ATOM 0 HA TYR A 43 -5.272 -6.112 3.767 1.00 25.30 H new ATOM 0 HB2 TYR A 43 -6.153 -3.844 2.011 1.00 45.00 H new ATOM 0 HB3 TYR A 43 -6.900 -5.407 1.744 1.00 45.00 H new ATOM 0 HD1 TYR A 43 -6.459 -2.665 4.179 1.00 24.40 H new ATOM 0 HD2 TYR A 43 -8.423 -6.364 3.389 1.00 22.00 H new ATOM 0 HE1 TYR A 43 -7.983 -2.256 6.060 1.00 3.04 H new ATOM 0 HE2 TYR A 43 -9.949 -5.955 5.270 1.00 34.20 H new ATOM 0 HH TYR A 43 -10.540 -4.600 6.910 1.00 23.30 H new ATOM 529 N PHE A 44 -3.813 -5.799 0.857 1.00 70.20 N ATOM 530 CA PHE A 44 -3.275 -6.539 -0.279 1.00 12.20 C ATOM 531 C PHE A 44 -2.441 -7.727 0.190 1.00 13.00 C ATOM 532 O PHE A 44 -2.667 -8.861 -0.230 1.00 74.10 O ATOM 533 CB PHE A 44 -2.425 -5.615 -1.152 1.00 0.24 C ATOM 534 CG PHE A 44 -3.150 -5.095 -2.361 1.00 72.10 C ATOM 535 CD1 PHE A 44 -3.885 -5.952 -3.164 1.00 23.20 C ATOM 536 CD2 PHE A 44 -3.095 -3.751 -2.694 1.00 71.30 C ATOM 537 CE1 PHE A 44 -4.554 -5.478 -4.277 1.00 42.10 C ATOM 538 CE2 PHE A 44 -3.761 -3.271 -3.806 1.00 0.43 C ATOM 539 CZ PHE A 44 -4.492 -4.135 -4.597 1.00 13.30 C ATOM 0 H PHE A 44 -3.536 -4.818 0.890 1.00 70.20 H new ATOM 0 HA PHE A 44 -4.111 -6.918 -0.866 1.00 12.20 H new ATOM 0 HB2 PHE A 44 -2.086 -4.771 -0.551 1.00 0.24 H new ATOM 0 HB3 PHE A 44 -1.534 -6.153 -1.476 1.00 0.24 H new ATOM 0 HD1 PHE A 44 -3.936 -7.002 -2.918 1.00 23.20 H new ATOM 0 HD2 PHE A 44 -2.525 -3.071 -2.078 1.00 71.30 H new ATOM 0 HE1 PHE A 44 -5.124 -6.156 -4.895 1.00 42.10 H new ATOM 0 HE2 PHE A 44 -3.710 -2.222 -4.056 1.00 0.43 H new ATOM 0 HZ PHE A 44 -5.015 -3.762 -5.465 1.00 13.30 H new ATOM 549 N LEU A 45 -1.476 -7.458 1.063 1.00 2.13 N ATOM 550 CA LEU A 45 -0.608 -8.505 1.590 1.00 10.30 C ATOM 551 C LEU A 45 -1.390 -9.465 2.481 1.00 52.30 C ATOM 552 O LEU A 45 -1.058 -10.637 2.584 1.00 25.10 O ATOM 553 CB LEU A 45 0.549 -7.888 2.378 1.00 54.50 C ATOM 554 CG LEU A 45 1.873 -8.650 2.287 1.00 25.50 C ATOM 555 CD1 LEU A 45 2.285 -8.834 0.835 1.00 74.30 C ATOM 556 CD2 LEU A 45 2.960 -7.921 3.063 1.00 74.30 C ATOM 0 H LEU A 45 -1.275 -6.524 1.421 1.00 2.13 H new ATOM 0 HA LEU A 45 -0.206 -9.067 0.747 1.00 10.30 H new ATOM 0 HB2 LEU A 45 0.708 -6.870 2.023 1.00 54.50 H new ATOM 0 HB3 LEU A 45 0.258 -7.819 3.426 1.00 54.50 H new ATOM 0 HG LEU A 45 1.735 -9.636 2.731 1.00 25.50 H new ATOM 0 HD11 LEU A 45 3.229 -9.378 0.791 1.00 74.30 H new ATOM 0 HD12 LEU A 45 1.516 -9.398 0.307 1.00 74.30 H new ATOM 0 HD13 LEU A 45 2.406 -7.858 0.365 1.00 74.30 H new ATOM 0 HD21 LEU A 45 3.895 -8.476 2.988 1.00 74.30 H new ATOM 0 HD22 LEU A 45 3.096 -6.923 2.647 1.00 74.30 H new ATOM 0 HD23 LEU A 45 2.668 -7.841 4.110 1.00 74.30 H new ATOM 568 N HIS A 46 -2.433 -8.952 3.124 1.00 55.20 N ATOM 569 CA HIS A 46 -3.263 -9.764 4.007 1.00 35.50 C ATOM 570 C HIS A 46 -3.868 -10.945 3.254 1.00 53.30 C ATOM 571 O HIS A 46 -3.729 -12.092 3.668 1.00 72.00 O ATOM 572 CB HIS A 46 -4.375 -8.914 4.623 1.00 21.20 C ATOM 573 CG HIS A 46 -4.851 -9.419 5.950 1.00 21.30 C ATOM 574 ND1 HIS A 46 -4.379 -8.936 7.153 1.00 43.10 N ATOM 575 CD2 HIS A 46 -5.762 -10.371 6.261 1.00 61.20 C ATOM 576 CE1 HIS A 46 -4.979 -9.569 8.145 1.00 43.10 C ATOM 577 NE2 HIS A 46 -5.823 -10.444 7.630 1.00 34.50 N ATOM 0 H HIS A 46 -2.724 -7.977 3.050 1.00 55.20 H new ATOM 0 HA HIS A 46 -2.628 -10.151 4.804 1.00 35.50 H new ATOM 0 HB2 HIS A 46 -4.016 -7.891 4.740 1.00 21.20 H new ATOM 0 HB3 HIS A 46 -5.218 -8.879 3.933 1.00 21.20 H new ATOM 0 HD2 HIS A 46 -6.334 -10.963 5.562 1.00 61.20 H new ATOM 0 HE1 HIS A 46 -4.808 -9.400 9.198 1.00 43.10 H new ATOM 0 HE2 HIS A 46 -6.423 -11.073 8.164 1.00 34.50 H new ATOM 586 N VAL A 47 -4.544 -10.652 2.148 1.00 51.40 N ATOM 587 CA VAL A 47 -5.170 -11.689 1.338 1.00 41.10 C ATOM 588 C VAL A 47 -4.128 -12.594 0.706 1.00 64.20 C ATOM 589 O VAL A 47 -4.350 -13.794 0.550 1.00 74.40 O ATOM 590 CB VAL A 47 -6.045 -11.083 0.225 1.00 43.20 C ATOM 591 CG1 VAL A 47 -7.337 -10.528 0.804 1.00 14.40 C ATOM 592 CG2 VAL A 47 -5.282 -10.004 -0.526 1.00 30.50 C ATOM 0 H VAL A 47 -4.672 -9.705 1.793 1.00 51.40 H new ATOM 0 HA VAL A 47 -5.800 -12.274 2.008 1.00 41.10 H new ATOM 0 HB VAL A 47 -6.301 -11.873 -0.481 1.00 43.20 H new ATOM 0 HG11 VAL A 47 -7.942 -10.104 0.003 1.00 14.40 H new ATOM 0 HG12 VAL A 47 -7.891 -11.330 1.292 1.00 14.40 H new ATOM 0 HG13 VAL A 47 -7.105 -9.752 1.533 1.00 14.40 H new ATOM 0 HG21 VAL A 47 -5.916 -9.588 -1.308 1.00 30.50 H new ATOM 0 HG22 VAL A 47 -4.994 -9.213 0.167 1.00 30.50 H new ATOM 0 HG23 VAL A 47 -4.388 -10.436 -0.975 1.00 30.50 H new ATOM 602 N VAL A 48 -2.986 -12.017 0.346 1.00 24.10 N ATOM 603 CA VAL A 48 -1.905 -12.779 -0.268 1.00 71.00 C ATOM 604 C VAL A 48 -1.266 -13.735 0.735 1.00 60.20 C ATOM 605 O VAL A 48 -0.865 -14.844 0.384 1.00 23.40 O ATOM 606 CB VAL A 48 -0.817 -11.850 -0.842 1.00 31.40 C ATOM 607 CG1 VAL A 48 0.231 -12.657 -1.603 1.00 40.50 C ATOM 608 CG2 VAL A 48 -1.437 -10.787 -1.736 1.00 35.30 C ATOM 0 H VAL A 48 -2.785 -11.024 0.469 1.00 24.10 H new ATOM 0 HA VAL A 48 -2.347 -13.354 -1.082 1.00 71.00 H new ATOM 0 HB VAL A 48 -0.321 -11.347 -0.012 1.00 31.40 H new ATOM 0 HG11 VAL A 48 0.990 -11.984 -2.001 1.00 40.50 H new ATOM 0 HG12 VAL A 48 0.699 -13.374 -0.928 1.00 40.50 H new ATOM 0 HG13 VAL A 48 -0.247 -13.191 -2.425 1.00 40.50 H new ATOM 0 HG21 VAL A 48 -0.653 -10.141 -2.131 1.00 35.30 H new ATOM 0 HG22 VAL A 48 -1.962 -11.267 -2.562 1.00 35.30 H new ATOM 0 HG23 VAL A 48 -2.141 -10.190 -1.157 1.00 35.30 H new ATOM 618 N LYS A 49 -1.176 -13.296 1.987 1.00 34.20 N ATOM 619 CA LYS A 49 -0.587 -14.111 3.042 1.00 4.02 C ATOM 620 C LYS A 49 -1.631 -15.030 3.667 1.00 32.00 C ATOM 621 O LYS A 49 -1.311 -16.131 4.120 1.00 32.30 O ATOM 622 CB LYS A 49 0.031 -13.215 4.119 1.00 22.10 C ATOM 623 CG LYS A 49 1.239 -12.431 3.635 1.00 0.41 C ATOM 624 CD LYS A 49 2.275 -12.265 4.735 1.00 74.00 C ATOM 625 CE LYS A 49 3.383 -13.300 4.613 1.00 21.30 C ATOM 626 NZ LYS A 49 4.146 -13.450 5.882 1.00 15.10 N ATOM 0 H LYS A 49 -1.504 -12.380 2.295 1.00 34.20 H new ATOM 0 HA LYS A 49 0.194 -14.728 2.598 1.00 4.02 H new ATOM 0 HB2 LYS A 49 -0.725 -12.517 4.478 1.00 22.10 H new ATOM 0 HB3 LYS A 49 0.324 -13.831 4.969 1.00 22.10 H new ATOM 0 HG2 LYS A 49 1.689 -12.943 2.785 1.00 0.41 H new ATOM 0 HG3 LYS A 49 0.920 -11.450 3.284 1.00 0.41 H new ATOM 0 HD2 LYS A 49 2.703 -11.264 4.686 1.00 74.00 H new ATOM 0 HD3 LYS A 49 1.793 -12.358 5.708 1.00 74.00 H new ATOM 0 HE2 LYS A 49 2.952 -14.261 4.333 1.00 21.30 H new ATOM 0 HE3 LYS A 49 4.064 -13.010 3.812 1.00 21.30 H new ATOM 0 HZ1 LYS A 49 4.891 -14.164 5.757 1.00 15.10 H new ATOM 0 HZ2 LYS A 49 4.579 -12.539 6.137 1.00 15.10 H new ATOM 0 HZ3 LYS A 49 3.502 -13.751 6.641 1.00 15.10 H new ATOM 640 N TYR A 50 -2.881 -14.571 3.687 1.00 74.20 N ATOM 641 CA TYR A 50 -3.971 -15.354 4.257 1.00 23.30 C ATOM 642 C TYR A 50 -4.821 -15.986 3.159 1.00 4.55 C ATOM 643 O TYR A 50 -6.025 -16.183 3.331 1.00 1.45 O ATOM 644 CB TYR A 50 -4.840 -14.483 5.154 1.00 2.00 C ATOM 645 CG TYR A 50 -4.150 -14.029 6.421 1.00 64.30 C ATOM 646 CD1 TYR A 50 -2.993 -13.264 6.370 1.00 32.30 C ATOM 647 CD2 TYR A 50 -4.653 -14.377 7.670 1.00 41.00 C ATOM 648 CE1 TYR A 50 -2.356 -12.855 7.527 1.00 15.20 C ATOM 649 CE2 TYR A 50 -4.027 -13.963 8.831 1.00 53.10 C ATOM 650 CZ TYR A 50 -2.880 -13.202 8.754 1.00 43.40 C ATOM 651 OH TYR A 50 -2.249 -12.797 9.908 1.00 22.10 O ATOM 0 H TYR A 50 -3.162 -13.663 3.316 1.00 74.20 H new ATOM 0 HA TYR A 50 -3.534 -16.153 4.856 1.00 23.30 H new ATOM 0 HB2 TYR A 50 -5.160 -13.606 4.592 1.00 2.00 H new ATOM 0 HB3 TYR A 50 -5.740 -15.037 5.421 1.00 2.00 H new ATOM 0 HD1 TYR A 50 -2.584 -12.984 5.411 1.00 32.30 H new ATOM 0 HD2 TYR A 50 -5.547 -14.980 7.734 1.00 41.00 H new ATOM 0 HE1 TYR A 50 -1.452 -12.266 7.470 1.00 15.20 H new ATOM 0 HE2 TYR A 50 -4.435 -14.234 9.794 1.00 53.10 H new ATOM 0 HH TYR A 50 -2.748 -13.124 10.686 1.00 22.10 H new ATOM 661 N GLU A 51 -4.191 -16.297 2.032 1.00 53.10 N ATOM 662 CA GLU A 51 -4.890 -16.907 0.907 1.00 44.00 C ATOM 663 C GLU A 51 -3.921 -17.223 -0.232 1.00 61.10 C ATOM 664 O GLU A 51 -3.667 -18.386 -0.544 1.00 40.40 O ATOM 665 CB GLU A 51 -5.999 -15.985 0.408 1.00 23.40 C ATOM 666 CG GLU A 51 -7.236 -16.715 -0.075 1.00 23.40 C ATOM 667 CD GLU A 51 -7.828 -16.097 -1.319 1.00 10.20 C ATOM 668 OE1 GLU A 51 -8.285 -14.939 -1.248 1.00 33.00 O ATOM 669 OE2 GLU A 51 -7.846 -16.776 -2.374 1.00 60.10 O ATOM 0 H GLU A 51 -3.196 -16.137 1.873 1.00 53.10 H new ATOM 0 HA GLU A 51 -5.333 -17.841 1.251 1.00 44.00 H new ATOM 0 HB2 GLU A 51 -6.281 -15.305 1.212 1.00 23.40 H new ATOM 0 HB3 GLU A 51 -5.610 -15.373 -0.406 1.00 23.40 H new ATOM 0 HG2 GLU A 51 -6.983 -17.756 -0.276 1.00 23.40 H new ATOM 0 HG3 GLU A 51 -7.985 -16.716 0.717 1.00 23.40 H new ATOM 676 N ALA A 52 -3.387 -16.173 -0.850 1.00 51.00 N ATOM 677 CA ALA A 52 -2.448 -16.336 -1.954 1.00 43.00 C ATOM 678 C ALA A 52 -3.089 -17.085 -3.115 1.00 33.30 C ATOM 679 O ALA A 52 -2.854 -18.273 -3.300 1.00 41.30 O ATOM 680 CB ALA A 52 -1.199 -17.062 -1.482 1.00 61.10 C ATOM 0 H ALA A 52 -3.588 -15.203 -0.605 1.00 51.00 H new ATOM 0 HA ALA A 52 -2.167 -15.344 -2.307 1.00 43.00 H new ATOM 0 HB1 ALA A 52 -0.507 -17.176 -2.317 1.00 61.10 H new ATOM 0 HB2 ALA A 52 -0.720 -16.485 -0.690 1.00 61.10 H new ATOM 0 HB3 ALA A 52 -1.472 -18.046 -1.100 1.00 61.10 H new ATOM 686 N GLN A 53 -3.906 -16.373 -3.893 1.00 4.42 N ATOM 687 CA GLN A 53 -4.579 -16.970 -5.034 1.00 62.30 C ATOM 688 C GLN A 53 -3.808 -16.707 -6.324 1.00 64.00 C ATOM 689 O GLN A 53 -3.420 -15.564 -6.600 1.00 31.20 O ATOM 690 CB GLN A 53 -6.005 -16.427 -5.156 1.00 22.40 C ATOM 691 CG GLN A 53 -6.987 -17.415 -5.756 1.00 44.20 C ATOM 692 CD GLN A 53 -7.162 -17.226 -7.249 1.00 62.30 C ATOM 693 OE1 GLN A 53 -6.835 -18.109 -8.040 1.00 33.10 O ATOM 694 NE2 GLN A 53 -7.684 -16.062 -7.641 1.00 33.40 N ATOM 0 H GLN A 53 -4.114 -15.385 -3.749 1.00 4.42 H new ATOM 0 HA GLN A 53 -4.621 -18.047 -4.873 1.00 62.30 H new ATOM 0 HB2 GLN A 53 -6.358 -16.133 -4.167 1.00 22.40 H new ATOM 0 HB3 GLN A 53 -5.990 -15.526 -5.770 1.00 22.40 H new ATOM 0 HG2 GLN A 53 -6.642 -18.430 -5.560 1.00 44.20 H new ATOM 0 HG3 GLN A 53 -7.953 -17.306 -5.264 1.00 44.20 H new ATOM 0 HE21 GLN A 53 -7.940 -15.359 -6.948 1.00 33.40 H new ATOM 0 HE22 GLN A 53 -7.827 -15.876 -8.634 1.00 33.40 H new ATOM 703 N GLY A 54 -3.596 -17.750 -7.106 1.00 53.10 N ATOM 704 CA GLY A 54 -2.871 -17.614 -8.357 1.00 62.50 C ATOM 705 C GLY A 54 -1.468 -17.081 -8.158 1.00 15.10 C ATOM 706 O GLY A 54 -1.163 -16.490 -7.127 1.00 4.01 O ATOM 0 H GLY A 54 -3.914 -18.697 -6.899 1.00 53.10 H new ATOM 0 HA2 GLY A 54 -2.821 -18.584 -8.852 1.00 62.50 H new ATOM 0 HA3 GLY A 54 -3.420 -16.946 -9.021 1.00 62.50 H new ATOM 710 N ASP A 55 -0.610 -17.301 -9.152 1.00 51.20 N ATOM 711 CA ASP A 55 0.775 -16.841 -9.080 1.00 72.40 C ATOM 712 C ASP A 55 0.885 -15.394 -9.565 1.00 1.03 C ATOM 713 O ASP A 55 1.599 -14.588 -8.971 1.00 33.20 O ATOM 714 CB ASP A 55 1.676 -17.742 -9.916 1.00 35.40 C ATOM 715 CG ASP A 55 1.179 -17.900 -11.337 1.00 24.00 C ATOM 716 OD1 ASP A 55 0.064 -18.444 -11.523 1.00 51.50 O ATOM 717 OD2 ASP A 55 1.902 -17.495 -12.272 1.00 45.40 O ATOM 0 H ASP A 55 -0.848 -17.793 -10.013 1.00 51.20 H new ATOM 0 HA ASP A 55 1.099 -16.886 -8.040 1.00 72.40 H new ATOM 0 HB2 ASP A 55 2.685 -17.329 -9.931 1.00 35.40 H new ATOM 0 HB3 ASP A 55 1.740 -18.723 -9.446 1.00 35.40 H new ATOM 722 N LYS A 56 0.183 -15.085 -10.647 1.00 24.30 N ATOM 723 CA LYS A 56 0.212 -13.734 -11.206 1.00 54.50 C ATOM 724 C LYS A 56 -0.380 -12.724 -10.230 1.00 62.50 C ATOM 725 O LYS A 56 0.034 -11.568 -10.196 1.00 3.10 O ATOM 726 CB LYS A 56 -0.560 -13.700 -12.525 1.00 30.50 C ATOM 727 CG LYS A 56 -0.040 -12.666 -13.511 1.00 30.10 C ATOM 728 CD LYS A 56 -1.170 -12.047 -14.328 1.00 70.50 C ATOM 729 CE LYS A 56 -0.720 -10.767 -15.016 1.00 52.00 C ATOM 730 NZ LYS A 56 0.072 -11.059 -16.238 1.00 51.10 N ATOM 0 H LYS A 56 -0.410 -15.743 -11.154 1.00 24.30 H new ATOM 0 HA LYS A 56 1.252 -13.462 -11.388 1.00 54.50 H new ATOM 0 HB2 LYS A 56 -0.514 -14.686 -12.988 1.00 30.50 H new ATOM 0 HB3 LYS A 56 -1.610 -13.494 -12.316 1.00 30.50 H new ATOM 0 HG2 LYS A 56 0.490 -11.882 -12.970 1.00 30.10 H new ATOM 0 HG3 LYS A 56 0.681 -13.133 -14.182 1.00 30.10 H new ATOM 0 HD2 LYS A 56 -1.515 -12.762 -15.075 1.00 70.50 H new ATOM 0 HD3 LYS A 56 -2.017 -11.833 -13.677 1.00 70.50 H new ATOM 0 HE2 LYS A 56 -1.592 -10.168 -15.280 1.00 52.00 H new ATOM 0 HE3 LYS A 56 -0.121 -10.172 -14.326 1.00 52.00 H new ATOM 0 HZ1 LYS A 56 0.364 -10.166 -16.684 1.00 51.10 H new ATOM 0 HZ2 LYS A 56 0.916 -11.610 -15.981 1.00 51.10 H new ATOM 0 HZ3 LYS A 56 -0.509 -11.606 -16.906 1.00 51.10 H new ATOM 744 N ALA A 57 -1.342 -13.168 -9.432 1.00 51.40 N ATOM 745 CA ALA A 57 -1.995 -12.302 -8.457 1.00 71.20 C ATOM 746 C ALA A 57 -0.981 -11.773 -7.450 1.00 11.00 C ATOM 747 O ALA A 57 -0.912 -10.565 -7.208 1.00 12.40 O ATOM 748 CB ALA A 57 -3.106 -13.056 -7.742 1.00 41.50 C ATOM 0 H ALA A 57 -1.689 -14.127 -9.440 1.00 51.40 H new ATOM 0 HA ALA A 57 -2.432 -11.454 -8.985 1.00 71.20 H new ATOM 0 HB1 ALA A 57 -3.585 -12.397 -7.017 1.00 41.50 H new ATOM 0 HB2 ALA A 57 -3.844 -13.392 -8.470 1.00 41.50 H new ATOM 0 HB3 ALA A 57 -2.686 -13.919 -7.226 1.00 41.50 H new ATOM 754 N LYS A 58 -0.200 -12.675 -6.865 1.00 64.50 N ATOM 755 CA LYS A 58 0.803 -12.286 -5.883 1.00 21.20 C ATOM 756 C LYS A 58 1.826 -11.334 -6.494 1.00 24.30 C ATOM 757 O LYS A 58 2.306 -10.414 -5.831 1.00 25.20 O ATOM 758 CB LYS A 58 1.511 -13.528 -5.337 1.00 12.30 C ATOM 759 CG LYS A 58 0.577 -14.506 -4.641 1.00 31.40 C ATOM 760 CD LYS A 58 1.008 -15.952 -4.869 1.00 53.10 C ATOM 761 CE LYS A 58 2.190 -16.321 -3.992 1.00 62.40 C ATOM 762 NZ LYS A 58 3.480 -16.206 -4.725 1.00 24.20 N ATOM 0 H LYS A 58 -0.243 -13.677 -7.053 1.00 64.50 H new ATOM 0 HA LYS A 58 0.298 -11.770 -5.067 1.00 21.20 H new ATOM 0 HB2 LYS A 58 2.013 -14.040 -6.158 1.00 12.30 H new ATOM 0 HB3 LYS A 58 2.285 -13.216 -4.635 1.00 12.30 H new ATOM 0 HG2 LYS A 58 0.559 -14.295 -3.572 1.00 31.40 H new ATOM 0 HG3 LYS A 58 -0.439 -14.366 -5.010 1.00 31.40 H new ATOM 0 HD2 LYS A 58 0.173 -16.620 -4.657 1.00 53.10 H new ATOM 0 HD3 LYS A 58 1.272 -16.094 -5.917 1.00 53.10 H new ATOM 0 HE2 LYS A 58 2.210 -15.671 -3.117 1.00 62.40 H new ATOM 0 HE3 LYS A 58 2.068 -17.341 -3.629 1.00 62.40 H new ATOM 0 HZ1 LYS A 58 4.263 -16.466 -4.092 1.00 24.20 H new ATOM 0 HZ2 LYS A 58 3.471 -16.845 -5.546 1.00 24.20 H new ATOM 0 HZ3 LYS A 58 3.608 -15.226 -5.050 1.00 24.20 H new ATOM 776 N GLN A 59 2.152 -11.558 -7.762 1.00 54.00 N ATOM 777 CA GLN A 59 3.119 -10.722 -8.463 1.00 60.50 C ATOM 778 C GLN A 59 2.537 -9.345 -8.746 1.00 62.50 C ATOM 779 O GLN A 59 3.238 -8.336 -8.675 1.00 14.00 O ATOM 780 CB GLN A 59 3.547 -11.388 -9.775 1.00 14.40 C ATOM 781 CG GLN A 59 4.762 -12.287 -9.632 1.00 64.20 C ATOM 782 CD GLN A 59 5.740 -12.137 -10.781 1.00 70.00 C ATOM 783 OE1 GLN A 59 6.164 -13.123 -11.386 1.00 10.40 O ATOM 784 NE2 GLN A 59 6.101 -10.894 -11.088 1.00 74.10 N ATOM 0 H GLN A 59 1.760 -12.312 -8.326 1.00 54.00 H new ATOM 0 HA GLN A 59 3.993 -10.604 -7.823 1.00 60.50 H new ATOM 0 HB2 GLN A 59 2.715 -11.975 -10.163 1.00 14.40 H new ATOM 0 HB3 GLN A 59 3.762 -10.614 -10.512 1.00 14.40 H new ATOM 0 HG2 GLN A 59 5.270 -12.058 -8.695 1.00 64.20 H new ATOM 0 HG3 GLN A 59 4.435 -13.325 -9.571 1.00 64.20 H new ATOM 0 HE21 GLN A 59 5.724 -10.108 -10.559 1.00 74.10 H new ATOM 0 HE22 GLN A 59 6.755 -10.727 -11.853 1.00 74.10 H new ATOM 793 N SER A 60 1.244 -9.301 -9.065 1.00 65.30 N ATOM 794 CA SER A 60 0.569 -8.051 -9.359 1.00 0.14 C ATOM 795 C SER A 60 0.438 -7.198 -8.101 1.00 3.34 C ATOM 796 O SER A 60 0.861 -6.042 -8.076 1.00 12.10 O ATOM 797 CB SER A 60 -0.814 -8.320 -9.953 1.00 21.20 C ATOM 798 OG SER A 60 -1.226 -7.255 -10.792 1.00 62.10 O ATOM 0 H SER A 60 0.646 -10.125 -9.125 1.00 65.30 H new ATOM 0 HA SER A 60 1.168 -7.505 -10.088 1.00 0.14 H new ATOM 0 HB2 SER A 60 -0.794 -9.249 -10.523 1.00 21.20 H new ATOM 0 HB3 SER A 60 -1.538 -8.455 -9.150 1.00 21.20 H new ATOM 0 HG SER A 60 -2.112 -7.453 -11.160 1.00 62.10 H new ATOM 804 N ILE A 61 -0.153 -7.775 -7.059 1.00 24.10 N ATOM 805 CA ILE A 61 -0.341 -7.067 -5.798 1.00 15.20 C ATOM 806 C ILE A 61 0.990 -6.588 -5.231 1.00 15.00 C ATOM 807 O ILE A 61 1.082 -5.491 -4.678 1.00 22.20 O ATOM 808 CB ILE A 61 -1.039 -7.960 -4.753 1.00 11.30 C ATOM 809 CG1 ILE A 61 -0.286 -9.282 -4.594 1.00 60.10 C ATOM 810 CG2 ILE A 61 -2.485 -8.209 -5.151 1.00 51.30 C ATOM 811 CD1 ILE A 61 0.629 -9.305 -3.391 1.00 43.20 C ATOM 0 H ILE A 61 -0.510 -8.731 -7.063 1.00 24.10 H new ATOM 0 HA ILE A 61 -0.973 -6.205 -6.011 1.00 15.20 H new ATOM 0 HB ILE A 61 -1.032 -7.444 -3.793 1.00 11.30 H new ATOM 0 HG12 ILE A 61 -1.007 -10.095 -4.510 1.00 60.10 H new ATOM 0 HG13 ILE A 61 0.302 -9.468 -5.493 1.00 60.10 H new ATOM 0 HG21 ILE A 61 -2.964 -8.841 -4.403 1.00 51.30 H new ATOM 0 HG22 ILE A 61 -3.014 -7.258 -5.215 1.00 51.30 H new ATOM 0 HG23 ILE A 61 -2.515 -8.707 -6.120 1.00 51.30 H new ATOM 0 HD11 ILE A 61 1.133 -10.270 -3.336 1.00 43.20 H new ATOM 0 HD12 ILE A 61 1.372 -8.512 -3.483 1.00 43.20 H new ATOM 0 HD13 ILE A 61 0.043 -9.149 -2.485 1.00 43.20 H new ATOM 823 N ARG A 62 2.020 -7.415 -5.372 1.00 53.50 N ATOM 824 CA ARG A 62 3.348 -7.073 -4.873 1.00 54.10 C ATOM 825 C ARG A 62 3.882 -5.822 -5.561 1.00 62.40 C ATOM 826 O ARG A 62 4.383 -4.907 -4.908 1.00 22.10 O ATOM 827 CB ARG A 62 4.313 -8.241 -5.088 1.00 2.30 C ATOM 828 CG ARG A 62 4.364 -9.202 -3.917 1.00 44.40 C ATOM 829 CD ARG A 62 5.765 -9.771 -3.724 1.00 31.10 C ATOM 830 NE ARG A 62 5.889 -11.116 -4.269 1.00 32.40 N ATOM 831 CZ ARG A 62 7.055 -11.699 -4.558 1.00 63.20 C ATOM 832 NH1 ARG A 62 8.192 -11.044 -4.358 1.00 11.50 N ATOM 833 NH2 ARG A 62 7.079 -12.929 -5.050 1.00 61.10 N ATOM 0 H ARG A 62 1.962 -8.326 -5.827 1.00 53.50 H new ATOM 0 HA ARG A 62 3.267 -6.871 -3.805 1.00 54.10 H new ATOM 0 HB2 ARG A 62 4.017 -8.787 -5.984 1.00 2.30 H new ATOM 0 HB3 ARG A 62 5.313 -7.848 -5.270 1.00 2.30 H new ATOM 0 HG2 ARG A 62 4.050 -8.688 -3.009 1.00 44.40 H new ATOM 0 HG3 ARG A 62 3.659 -10.016 -4.082 1.00 44.40 H new ATOM 0 HD2 ARG A 62 6.491 -9.117 -4.206 1.00 31.10 H new ATOM 0 HD3 ARG A 62 6.006 -9.787 -2.661 1.00 31.10 H new ATOM 0 HE ARG A 62 5.034 -11.644 -4.440 1.00 32.40 H new ATOM 0 HH11 ARG A 62 8.175 -10.095 -3.984 1.00 11.50 H new ATOM 0 HH12 ARG A 62 9.083 -11.489 -4.579 1.00 11.50 H new ATOM 0 HH21 ARG A 62 6.206 -13.432 -5.209 1.00 61.10 H new ATOM 0 HH22 ARG A 62 7.971 -13.373 -5.270 1.00 61.10 H new ATOM 847 N ALA A 63 3.771 -5.789 -6.886 1.00 15.40 N ATOM 848 CA ALA A 63 4.242 -4.649 -7.663 1.00 12.10 C ATOM 849 C ALA A 63 3.526 -3.369 -7.249 1.00 21.40 C ATOM 850 O ALA A 63 4.116 -2.289 -7.245 1.00 62.20 O ATOM 851 CB ALA A 63 4.047 -4.909 -9.150 1.00 33.20 C ATOM 0 H ALA A 63 3.359 -6.538 -7.443 1.00 15.40 H new ATOM 0 HA ALA A 63 5.306 -4.519 -7.464 1.00 12.10 H new ATOM 0 HB1 ALA A 63 4.403 -4.050 -9.719 1.00 33.20 H new ATOM 0 HB2 ALA A 63 4.610 -5.796 -9.441 1.00 33.20 H new ATOM 0 HB3 ALA A 63 2.988 -5.068 -9.356 1.00 33.20 H new ATOM 857 N LYS A 64 2.250 -3.498 -6.901 1.00 35.30 N ATOM 858 CA LYS A 64 1.452 -2.350 -6.483 1.00 13.10 C ATOM 859 C LYS A 64 1.741 -1.986 -5.030 1.00 31.20 C ATOM 860 O LYS A 64 1.670 -0.820 -4.647 1.00 15.40 O ATOM 861 CB LYS A 64 -0.039 -2.647 -6.662 1.00 70.30 C ATOM 862 CG LYS A 64 -0.601 -2.160 -7.988 1.00 74.20 C ATOM 863 CD LYS A 64 -0.712 -3.292 -8.996 1.00 14.50 C ATOM 864 CE LYS A 64 -2.129 -3.839 -9.067 1.00 5.44 C ATOM 865 NZ LYS A 64 -2.146 -5.314 -9.271 1.00 20.00 N ATOM 0 H LYS A 64 1.746 -4.385 -6.900 1.00 35.30 H new ATOM 0 HA LYS A 64 1.724 -1.501 -7.111 1.00 13.10 H new ATOM 0 HB2 LYS A 64 -0.199 -3.722 -6.582 1.00 70.30 H new ATOM 0 HB3 LYS A 64 -0.594 -2.181 -5.848 1.00 70.30 H new ATOM 0 HG2 LYS A 64 -1.584 -1.717 -7.827 1.00 74.20 H new ATOM 0 HG3 LYS A 64 0.040 -1.375 -8.390 1.00 74.20 H new ATOM 0 HD2 LYS A 64 -0.409 -2.935 -9.980 1.00 14.50 H new ATOM 0 HD3 LYS A 64 -0.025 -4.093 -8.722 1.00 14.50 H new ATOM 0 HE2 LYS A 64 -2.659 -3.594 -8.147 1.00 5.44 H new ATOM 0 HE3 LYS A 64 -2.665 -3.354 -9.883 1.00 5.44 H new ATOM 0 HZ1 LYS A 64 -3.109 -5.619 -9.516 1.00 20.00 H new ATOM 0 HZ2 LYS A 64 -1.496 -5.565 -10.043 1.00 20.00 H new ATOM 0 HZ3 LYS A 64 -1.844 -5.789 -8.396 1.00 20.00 H new ATOM 879 N CYS A 65 2.066 -2.994 -4.226 1.00 40.30 N ATOM 880 CA CYS A 65 2.366 -2.778 -2.816 1.00 24.10 C ATOM 881 C CYS A 65 3.667 -2.001 -2.649 1.00 63.50 C ATOM 882 O CYS A 65 3.813 -1.207 -1.721 1.00 12.30 O ATOM 883 CB CYS A 65 2.460 -4.118 -2.082 1.00 14.30 C ATOM 884 SG CYS A 65 0.865 -4.926 -1.815 1.00 72.50 S ATOM 0 H CYS A 65 2.128 -3.967 -4.527 1.00 40.30 H new ATOM 0 HA CYS A 65 1.556 -2.191 -2.384 1.00 24.10 H new ATOM 0 HB2 CYS A 65 3.104 -4.788 -2.652 1.00 14.30 H new ATOM 0 HB3 CYS A 65 2.941 -3.959 -1.117 1.00 14.30 H new ATOM 0 HG CYS A 65 0.438 -5.425 -2.937 1.00 72.50 H new ATOM 890 N THR A 66 4.611 -2.235 -3.556 1.00 25.40 N ATOM 891 CA THR A 66 5.901 -1.557 -3.509 1.00 44.30 C ATOM 892 C THR A 66 5.776 -0.118 -3.999 1.00 44.40 C ATOM 893 O THR A 66 6.342 0.801 -3.407 1.00 23.10 O ATOM 894 CB THR A 66 6.927 -2.309 -4.357 1.00 25.20 C ATOM 895 OG1 THR A 66 6.898 -3.695 -4.066 1.00 75.00 O ATOM 896 CG2 THR A 66 8.346 -1.826 -4.148 1.00 52.40 C ATOM 0 H THR A 66 4.506 -2.889 -4.332 1.00 25.40 H new ATOM 0 HA THR A 66 6.238 -1.542 -2.473 1.00 44.30 H new ATOM 0 HB THR A 66 6.644 -2.116 -5.392 1.00 25.20 H new ATOM 0 HG1 THR A 66 6.085 -4.091 -4.443 1.00 75.00 H new ATOM 0 HG21 THR A 66 9.023 -2.401 -4.779 1.00 52.40 H new ATOM 0 HG22 THR A 66 8.414 -0.770 -4.411 1.00 52.40 H new ATOM 0 HG23 THR A 66 8.625 -1.958 -3.103 1.00 52.40 H new ATOM 904 N GLU A 67 5.031 0.070 -5.083 1.00 73.10 N ATOM 905 CA GLU A 67 4.832 1.397 -5.653 1.00 43.40 C ATOM 906 C GLU A 67 4.063 2.293 -4.687 1.00 4.53 C ATOM 907 O GLU A 67 4.427 3.450 -4.474 1.00 4.32 O ATOM 908 CB GLU A 67 4.082 1.298 -6.982 1.00 52.40 C ATOM 909 CG GLU A 67 3.916 2.633 -7.689 1.00 14.40 C ATOM 910 CD GLU A 67 5.162 3.057 -8.429 1.00 73.10 C ATOM 911 OE1 GLU A 67 5.719 2.229 -9.185 1.00 72.30 O ATOM 912 OE2 GLU A 67 5.587 4.219 -8.261 1.00 55.30 O ATOM 0 H GLU A 67 4.555 -0.680 -5.584 1.00 73.10 H new ATOM 0 HA GLU A 67 5.812 1.840 -5.830 1.00 43.40 H new ATOM 0 HB2 GLU A 67 4.615 0.612 -7.640 1.00 52.40 H new ATOM 0 HB3 GLU A 67 3.097 0.867 -6.802 1.00 52.40 H new ATOM 0 HG2 GLU A 67 3.085 2.567 -8.392 1.00 14.40 H new ATOM 0 HG3 GLU A 67 3.655 3.397 -6.957 1.00 14.40 H new ATOM 919 N TYR A 68 2.997 1.752 -4.108 1.00 12.20 N ATOM 920 CA TYR A 68 2.175 2.502 -3.165 1.00 53.40 C ATOM 921 C TYR A 68 2.949 2.794 -1.882 1.00 65.20 C ATOM 922 O TYR A 68 2.920 3.914 -1.370 1.00 45.40 O ATOM 923 CB TYR A 68 0.898 1.727 -2.838 1.00 31.20 C ATOM 924 CG TYR A 68 -0.079 1.655 -3.989 1.00 14.30 C ATOM 925 CD1 TYR A 68 -0.351 2.774 -4.765 1.00 23.30 C ATOM 926 CD2 TYR A 68 -0.730 0.467 -4.300 1.00 45.40 C ATOM 927 CE1 TYR A 68 -1.243 2.713 -5.819 1.00 53.30 C ATOM 928 CE2 TYR A 68 -1.624 0.397 -5.352 1.00 71.10 C ATOM 929 CZ TYR A 68 -1.877 1.523 -6.108 1.00 25.20 C ATOM 930 OH TYR A 68 -2.767 1.457 -7.156 1.00 31.30 O ATOM 0 H TYR A 68 2.682 0.797 -4.275 1.00 12.20 H new ATOM 0 HA TYR A 68 1.906 3.450 -3.631 1.00 53.40 H new ATOM 0 HB2 TYR A 68 1.165 0.714 -2.536 1.00 31.20 H new ATOM 0 HB3 TYR A 68 0.407 2.195 -1.985 1.00 31.20 H new ATOM 0 HD1 TYR A 68 0.143 3.708 -4.541 1.00 23.30 H new ATOM 0 HD2 TYR A 68 -0.534 -0.416 -3.710 1.00 45.40 H new ATOM 0 HE1 TYR A 68 -1.442 3.593 -6.413 1.00 53.30 H new ATOM 0 HE2 TYR A 68 -2.122 -0.534 -5.581 1.00 71.10 H new ATOM 0 HH TYR A 68 -3.124 0.547 -7.225 1.00 31.30 H new ATOM 940 N LEU A 69 3.639 1.782 -1.370 1.00 14.10 N ATOM 941 CA LEU A 69 4.420 1.929 -0.148 1.00 2.34 C ATOM 942 C LEU A 69 5.501 2.992 -0.318 1.00 61.10 C ATOM 943 O LEU A 69 5.825 3.719 0.621 1.00 72.30 O ATOM 944 CB LEU A 69 5.058 0.594 0.240 1.00 51.30 C ATOM 945 CG LEU A 69 4.108 -0.413 0.891 1.00 13.00 C ATOM 946 CD1 LEU A 69 4.724 -1.803 0.895 1.00 41.20 C ATOM 947 CD2 LEU A 69 3.760 0.023 2.306 1.00 15.50 C ATOM 0 H LEU A 69 3.674 0.850 -1.783 1.00 14.10 H new ATOM 0 HA LEU A 69 3.746 2.245 0.648 1.00 2.34 H new ATOM 0 HB2 LEU A 69 5.487 0.140 -0.654 1.00 51.30 H new ATOM 0 HB3 LEU A 69 5.882 0.789 0.926 1.00 51.30 H new ATOM 0 HG LEU A 69 3.189 -0.448 0.306 1.00 13.00 H new ATOM 0 HD11 LEU A 69 4.034 -2.506 1.362 1.00 41.20 H new ATOM 0 HD12 LEU A 69 4.922 -2.116 -0.130 1.00 41.20 H new ATOM 0 HD13 LEU A 69 5.658 -1.785 1.456 1.00 41.20 H new ATOM 0 HD21 LEU A 69 3.083 -0.704 2.755 1.00 15.50 H new ATOM 0 HD22 LEU A 69 4.671 0.087 2.901 1.00 15.50 H new ATOM 0 HD23 LEU A 69 3.276 0.999 2.277 1.00 15.50 H new ATOM 959 N ASP A 70 6.055 3.076 -1.524 1.00 14.50 N ATOM 960 CA ASP A 70 7.100 4.051 -1.817 1.00 41.40 C ATOM 961 C ASP A 70 6.528 5.464 -1.865 1.00 65.00 C ATOM 962 O ASP A 70 7.105 6.397 -1.307 1.00 1.43 O ATOM 963 CB ASP A 70 7.778 3.718 -3.147 1.00 13.20 C ATOM 964 CG ASP A 70 8.964 2.788 -2.975 1.00 0.04 C ATOM 965 OD1 ASP A 70 8.761 1.647 -2.510 1.00 74.10 O ATOM 966 OD2 ASP A 70 10.095 3.202 -3.305 1.00 72.10 O ATOM 0 H ASP A 70 5.798 2.482 -2.312 1.00 14.50 H new ATOM 0 HA ASP A 70 7.840 4.005 -1.018 1.00 41.40 H new ATOM 0 HB2 ASP A 70 7.052 3.256 -3.816 1.00 13.20 H new ATOM 0 HB3 ASP A 70 8.109 4.641 -3.624 1.00 13.20 H new ATOM 971 N ARG A 71 5.390 5.614 -2.534 1.00 72.20 N ATOM 972 CA ARG A 71 4.740 6.913 -2.654 1.00 32.30 C ATOM 973 C ARG A 71 4.348 7.455 -1.283 1.00 13.40 C ATOM 974 O ARG A 71 4.541 8.634 -0.992 1.00 3.33 O ATOM 975 CB ARG A 71 3.501 6.806 -3.546 1.00 61.10 C ATOM 976 CG ARG A 71 3.269 8.032 -4.414 1.00 52.40 C ATOM 977 CD ARG A 71 2.677 7.656 -5.763 1.00 74.10 C ATOM 978 NE ARG A 71 2.137 8.817 -6.466 1.00 2.31 N ATOM 979 CZ ARG A 71 1.598 8.762 -7.682 1.00 52.10 C ATOM 980 NH1 ARG A 71 1.525 7.607 -8.332 1.00 14.30 N ATOM 981 NH2 ARG A 71 1.129 9.864 -8.247 1.00 64.10 N ATOM 0 H ARG A 71 4.899 4.852 -3.001 1.00 72.20 H new ATOM 0 HA ARG A 71 5.449 7.605 -3.109 1.00 32.30 H new ATOM 0 HB2 ARG A 71 3.600 5.930 -4.187 1.00 61.10 H new ATOM 0 HB3 ARG A 71 2.625 6.644 -2.918 1.00 61.10 H new ATOM 0 HG2 ARG A 71 2.598 8.721 -3.901 1.00 52.40 H new ATOM 0 HG3 ARG A 71 4.212 8.557 -4.563 1.00 52.40 H new ATOM 0 HD2 ARG A 71 3.444 7.185 -6.377 1.00 74.10 H new ATOM 0 HD3 ARG A 71 1.887 6.919 -5.620 1.00 74.10 H new ATOM 0 HE ARG A 71 2.175 9.722 -5.998 1.00 2.31 H new ATOM 0 HH11 ARG A 71 1.883 6.755 -7.900 1.00 14.30 H new ATOM 0 HH12 ARG A 71 1.111 7.571 -9.263 1.00 14.30 H new ATOM 0 HH21 ARG A 71 1.181 10.754 -7.751 1.00 64.10 H new ATOM 0 HH22 ARG A 71 0.716 9.823 -9.179 1.00 64.10 H new ATOM 995 N ALA A 72 3.797 6.583 -0.444 1.00 32.20 N ATOM 996 CA ALA A 72 3.378 6.974 0.897 1.00 52.50 C ATOM 997 C ALA A 72 4.557 7.502 1.707 1.00 11.20 C ATOM 998 O ALA A 72 4.423 8.471 2.455 1.00 32.00 O ATOM 999 CB ALA A 72 2.729 5.797 1.609 1.00 0.43 C ATOM 0 H ALA A 72 3.631 5.602 -0.669 1.00 32.20 H new ATOM 0 HA ALA A 72 2.647 7.777 0.805 1.00 52.50 H new ATOM 0 HB1 ALA A 72 2.421 6.102 2.609 1.00 0.43 H new ATOM 0 HB2 ALA A 72 1.857 5.467 1.045 1.00 0.43 H new ATOM 0 HB3 ALA A 72 3.444 4.978 1.684 1.00 0.43 H new ATOM 1005 N GLU A 73 5.710 6.860 1.553 1.00 10.10 N ATOM 1006 CA GLU A 73 6.912 7.265 2.271 1.00 15.40 C ATOM 1007 C GLU A 73 7.314 8.688 1.897 1.00 3.11 C ATOM 1008 O GLU A 73 7.778 9.455 2.741 1.00 0.55 O ATOM 1009 CB GLU A 73 8.061 6.302 1.969 1.00 32.30 C ATOM 1010 CG GLU A 73 9.050 6.156 3.115 1.00 60.20 C ATOM 1011 CD GLU A 73 10.426 5.727 2.646 1.00 12.00 C ATOM 1012 OE1 GLU A 73 11.122 6.550 2.016 1.00 73.40 O ATOM 1013 OE2 GLU A 73 10.807 4.567 2.909 1.00 14.40 O ATOM 0 H GLU A 73 5.837 6.057 0.937 1.00 10.10 H new ATOM 0 HA GLU A 73 6.695 7.236 3.339 1.00 15.40 H new ATOM 0 HB2 GLU A 73 7.649 5.322 1.729 1.00 32.30 H new ATOM 0 HB3 GLU A 73 8.593 6.650 1.083 1.00 32.30 H new ATOM 0 HG2 GLU A 73 9.130 7.106 3.644 1.00 60.20 H new ATOM 0 HG3 GLU A 73 8.669 5.425 3.828 1.00 60.20 H new ATOM 1020 N LYS A 74 7.134 9.035 0.628 1.00 41.20 N ATOM 1021 CA LYS A 74 7.478 10.365 0.141 1.00 53.40 C ATOM 1022 C LYS A 74 6.565 11.422 0.756 1.00 22.40 C ATOM 1023 O LYS A 74 6.978 12.559 0.981 1.00 42.20 O ATOM 1024 CB LYS A 74 7.379 10.416 -1.385 1.00 44.50 C ATOM 1025 CG LYS A 74 8.670 10.036 -2.091 1.00 64.50 C ATOM 1026 CD LYS A 74 8.944 8.545 -1.985 1.00 11.20 C ATOM 1027 CE LYS A 74 10.436 8.250 -1.993 1.00 74.40 C ATOM 1028 NZ LYS A 74 10.779 7.096 -1.117 1.00 42.10 N ATOM 0 H LYS A 74 6.751 8.412 -0.083 1.00 41.20 H new ATOM 0 HA LYS A 74 8.505 10.578 0.438 1.00 53.40 H new ATOM 0 HB2 LYS A 74 6.585 9.745 -1.712 1.00 44.50 H new ATOM 0 HB3 LYS A 74 7.091 11.422 -1.689 1.00 44.50 H new ATOM 0 HG2 LYS A 74 8.610 10.322 -3.141 1.00 64.50 H new ATOM 0 HG3 LYS A 74 9.501 10.592 -1.656 1.00 64.50 H new ATOM 0 HD2 LYS A 74 8.500 8.157 -1.068 1.00 11.20 H new ATOM 0 HD3 LYS A 74 8.465 8.026 -2.815 1.00 11.20 H new ATOM 0 HE2 LYS A 74 10.759 8.040 -3.013 1.00 74.40 H new ATOM 0 HE3 LYS A 74 10.982 9.133 -1.661 1.00 74.40 H new ATOM 0 HZ1 LYS A 74 11.705 6.713 -1.395 1.00 42.10 H new ATOM 0 HZ2 LYS A 74 10.818 7.411 -0.127 1.00 42.10 H new ATOM 0 HZ3 LYS A 74 10.054 6.357 -1.217 1.00 42.10 H new ATOM 1042 N LEU A 75 5.322 11.037 1.027 1.00 4.53 N ATOM 1043 CA LEU A 75 4.350 11.950 1.617 1.00 34.10 C ATOM 1044 C LEU A 75 4.647 12.179 3.096 1.00 12.40 C ATOM 1045 O LEU A 75 4.540 13.300 3.594 1.00 62.10 O ATOM 1046 CB LEU A 75 2.933 11.400 1.448 1.00 3.31 C ATOM 1047 CG LEU A 75 2.241 11.782 0.138 1.00 51.10 C ATOM 1048 CD1 LEU A 75 3.103 11.395 -1.054 1.00 22.50 C ATOM 1049 CD2 LEU A 75 0.875 11.122 0.047 1.00 3.42 C ATOM 0 H LEU A 75 4.964 10.099 0.847 1.00 4.53 H new ATOM 0 HA LEU A 75 4.425 12.905 1.098 1.00 34.10 H new ATOM 0 HB2 LEU A 75 2.971 10.313 1.517 1.00 3.31 H new ATOM 0 HB3 LEU A 75 2.322 11.751 2.280 1.00 3.31 H new ATOM 0 HG LEU A 75 2.103 12.863 0.123 1.00 51.10 H new ATOM 0 HD11 LEU A 75 2.594 11.674 -1.977 1.00 22.50 H new ATOM 0 HD12 LEU A 75 4.060 11.914 -0.995 1.00 22.50 H new ATOM 0 HD13 LEU A 75 3.274 10.318 -1.045 1.00 22.50 H new ATOM 0 HD21 LEU A 75 0.396 11.404 -0.891 1.00 3.42 H new ATOM 0 HD22 LEU A 75 0.991 10.039 0.084 1.00 3.42 H new ATOM 0 HD23 LEU A 75 0.256 11.449 0.883 1.00 3.42 H new ATOM 1061 N LYS A 76 5.020 11.110 3.792 1.00 21.30 N ATOM 1062 CA LYS A 76 5.332 11.195 5.213 1.00 32.40 C ATOM 1063 C LYS A 76 6.488 12.160 5.460 1.00 15.10 C ATOM 1064 O LYS A 76 6.509 12.873 6.463 1.00 42.40 O ATOM 1065 CB LYS A 76 5.684 9.811 5.762 1.00 54.40 C ATOM 1066 CG LYS A 76 5.307 9.622 7.223 1.00 23.00 C ATOM 1067 CD LYS A 76 6.305 8.731 7.945 1.00 11.40 C ATOM 1068 CE LYS A 76 6.558 9.216 9.363 1.00 42.10 C ATOM 1069 NZ LYS A 76 5.373 9.008 10.241 1.00 72.40 N ATOM 0 H LYS A 76 5.113 10.175 3.395 1.00 21.30 H new ATOM 0 HA LYS A 76 4.450 11.572 5.731 1.00 32.40 H new ATOM 0 HB2 LYS A 76 5.179 9.053 5.164 1.00 54.40 H new ATOM 0 HB3 LYS A 76 6.755 9.646 5.647 1.00 54.40 H new ATOM 0 HG2 LYS A 76 5.261 10.593 7.716 1.00 23.00 H new ATOM 0 HG3 LYS A 76 4.311 9.183 7.289 1.00 23.00 H new ATOM 0 HD2 LYS A 76 5.930 7.708 7.970 1.00 11.40 H new ATOM 0 HD3 LYS A 76 7.244 8.712 7.392 1.00 11.40 H new ATOM 0 HE2 LYS A 76 7.416 8.688 9.780 1.00 42.10 H new ATOM 0 HE3 LYS A 76 6.814 10.275 9.344 1.00 42.10 H new ATOM 0 HZ1 LYS A 76 5.586 9.352 11.199 1.00 72.40 H new ATOM 0 HZ2 LYS A 76 4.561 9.532 9.858 1.00 72.40 H new ATOM 0 HZ3 LYS A 76 5.143 7.994 10.280 1.00 72.40 H new ATOM 1083 N GLU A 77 7.443 12.179 4.537 1.00 52.30 N ATOM 1084 CA GLU A 77 8.599 13.060 4.652 1.00 63.50 C ATOM 1085 C GLU A 77 8.215 14.499 4.326 1.00 30.30 C ATOM 1086 O GLU A 77 8.428 15.407 5.130 1.00 53.20 O ATOM 1087 CB GLU A 77 9.718 12.595 3.718 1.00 63.10 C ATOM 1088 CG GLU A 77 10.584 11.494 4.308 1.00 22.50 C ATOM 1089 CD GLU A 77 11.826 12.032 4.992 1.00 1.25 C ATOM 1090 OE1 GLU A 77 11.717 12.484 6.151 1.00 41.50 O ATOM 1091 OE2 GLU A 77 12.907 12.001 4.368 1.00 61.10 O ATOM 0 H GLU A 77 7.439 11.595 3.701 1.00 52.30 H new ATOM 0 HA GLU A 77 8.956 13.019 5.681 1.00 63.50 H new ATOM 0 HB2 GLU A 77 9.278 12.240 2.786 1.00 63.10 H new ATOM 0 HB3 GLU A 77 10.349 13.448 3.468 1.00 63.10 H new ATOM 0 HG2 GLU A 77 9.997 10.921 5.026 1.00 22.50 H new ATOM 0 HG3 GLU A 77 10.879 10.805 3.516 1.00 22.50 H new ATOM 1098 N TYR A 78 7.645 14.695 3.143 1.00 72.10 N ATOM 1099 CA TYR A 78 7.224 16.020 2.708 1.00 4.14 C ATOM 1100 C TYR A 78 6.182 16.597 3.666 1.00 2.35 C ATOM 1101 O TYR A 78 6.115 17.809 3.871 1.00 4.22 O ATOM 1102 CB TYR A 78 6.668 15.947 1.277 1.00 53.20 C ATOM 1103 CG TYR A 78 5.558 16.935 0.983 1.00 11.50 C ATOM 1104 CD1 TYR A 78 4.251 16.673 1.374 1.00 64.30 C ATOM 1105 CD2 TYR A 78 5.819 18.126 0.316 1.00 2.21 C ATOM 1106 CE1 TYR A 78 3.234 17.570 1.109 1.00 33.50 C ATOM 1107 CE2 TYR A 78 4.807 19.027 0.048 1.00 60.40 C ATOM 1108 CZ TYR A 78 3.517 18.745 0.446 1.00 40.10 C ATOM 1109 OH TYR A 78 2.507 19.641 0.180 1.00 60.10 O ATOM 0 H TYR A 78 7.464 13.952 2.468 1.00 72.10 H new ATOM 0 HA TYR A 78 8.088 16.684 2.715 1.00 4.14 H new ATOM 0 HB2 TYR A 78 7.484 16.117 0.575 1.00 53.20 H new ATOM 0 HB3 TYR A 78 6.297 14.938 1.096 1.00 53.20 H new ATOM 0 HD1 TYR A 78 4.026 15.753 1.894 1.00 64.30 H new ATOM 0 HD2 TYR A 78 6.828 18.350 0.003 1.00 2.21 H new ATOM 0 HE1 TYR A 78 2.223 17.352 1.420 1.00 33.50 H new ATOM 0 HE2 TYR A 78 5.025 19.949 -0.471 1.00 60.40 H new ATOM 0 HH TYR A 78 2.874 20.417 -0.292 1.00 60.10 H new ATOM 1119 N LEU A 79 5.372 15.718 4.249 1.00 13.40 N ATOM 1120 CA LEU A 79 4.336 16.138 5.184 1.00 23.20 C ATOM 1121 C LEU A 79 4.951 16.710 6.458 1.00 25.20 C ATOM 1122 O LEU A 79 4.480 17.715 6.989 1.00 73.50 O ATOM 1123 CB LEU A 79 3.423 14.959 5.529 1.00 32.30 C ATOM 1124 CG LEU A 79 2.333 14.661 4.498 1.00 20.20 C ATOM 1125 CD1 LEU A 79 1.785 13.256 4.693 1.00 33.40 C ATOM 1126 CD2 LEU A 79 1.216 15.689 4.593 1.00 21.20 C ATOM 0 H LEU A 79 5.414 14.711 4.090 1.00 13.40 H new ATOM 0 HA LEU A 79 3.745 16.919 4.706 1.00 23.20 H new ATOM 0 HB2 LEU A 79 4.038 14.067 5.653 1.00 32.30 H new ATOM 0 HB3 LEU A 79 2.948 15.156 6.490 1.00 32.30 H new ATOM 0 HG LEU A 79 2.773 14.722 3.503 1.00 20.20 H new ATOM 0 HD11 LEU A 79 1.011 13.061 3.951 1.00 33.40 H new ATOM 0 HD12 LEU A 79 2.591 12.532 4.575 1.00 33.40 H new ATOM 0 HD13 LEU A 79 1.360 13.167 5.693 1.00 33.40 H new ATOM 0 HD21 LEU A 79 0.449 15.462 3.853 1.00 21.20 H new ATOM 0 HD22 LEU A 79 0.778 15.659 5.591 1.00 21.20 H new ATOM 0 HD23 LEU A 79 1.620 16.684 4.404 1.00 21.20 H new ATOM 1138 N LYS A 80 6.006 16.062 6.941 1.00 14.10 N ATOM 1139 CA LYS A 80 6.685 16.506 8.152 1.00 22.00 C ATOM 1140 C LYS A 80 7.587 17.702 7.863 1.00 64.40 C ATOM 1141 O LYS A 80 7.544 18.709 8.570 1.00 30.10 O ATOM 1142 CB LYS A 80 7.510 15.364 8.748 1.00 12.20 C ATOM 1143 CG LYS A 80 6.735 14.505 9.734 1.00 34.50 C ATOM 1144 CD LYS A 80 7.531 13.278 10.149 1.00 34.50 C ATOM 1145 CE LYS A 80 7.329 12.954 11.620 1.00 35.30 C ATOM 1146 NZ LYS A 80 5.924 12.557 11.914 1.00 34.10 N ATOM 0 H LYS A 80 6.409 15.229 6.513 1.00 14.10 H new ATOM 0 HA LYS A 80 5.926 16.811 8.872 1.00 22.00 H new ATOM 0 HB2 LYS A 80 7.878 14.732 7.940 1.00 12.20 H new ATOM 0 HB3 LYS A 80 8.383 15.781 9.250 1.00 12.20 H new ATOM 0 HG2 LYS A 80 6.488 15.095 10.616 1.00 34.50 H new ATOM 0 HG3 LYS A 80 5.792 14.194 9.284 1.00 34.50 H new ATOM 0 HD2 LYS A 80 7.228 12.424 9.543 1.00 34.50 H new ATOM 0 HD3 LYS A 80 8.590 13.447 9.955 1.00 34.50 H new ATOM 0 HE2 LYS A 80 8.002 12.147 11.910 1.00 35.30 H new ATOM 0 HE3 LYS A 80 7.594 13.823 12.223 1.00 35.30 H new ATOM 0 HZ1 LYS A 80 5.836 12.312 12.921 1.00 34.10 H new ATOM 0 HZ2 LYS A 80 5.286 13.348 11.693 1.00 34.10 H new ATOM 0 HZ3 LYS A 80 5.667 11.733 11.333 1.00 34.10 H new ATOM 1160 N ASN A 81 8.402 17.584 6.820 1.00 64.40 N ATOM 1161 CA ASN A 81 9.314 18.655 6.437 1.00 43.20 C ATOM 1162 C ASN A 81 8.545 19.924 6.083 1.00 11.20 C ATOM 1163 O ASN A 81 8.577 20.908 6.821 1.00 22.10 O ATOM 1164 CB ASN A 81 10.176 18.220 5.251 1.00 54.20 C ATOM 1165 CG ASN A 81 11.028 17.007 5.570 1.00 14.20 C ATOM 1166 OD1 ASN A 81 11.299 16.714 6.734 1.00 75.50 O ATOM 1167 ND2 ASN A 81 11.456 16.295 4.533 1.00 33.50 N ATOM 0 H ASN A 81 8.449 16.757 6.225 1.00 64.40 H new ATOM 0 HA ASN A 81 9.961 18.869 7.288 1.00 43.20 H new ATOM 0 HB2 ASN A 81 9.532 17.995 4.401 1.00 54.20 H new ATOM 0 HB3 ASN A 81 10.822 19.046 4.952 1.00 54.20 H new ATOM 0 HD21 ASN A 81 12.034 15.468 4.686 1.00 33.50 H new ATOM 0 HD22 ASN A 81 11.207 16.575 3.584 1.00 33.50 H new TER 1174 ASN A 81 ATOM 1175 N ASP B 116 8.929 -10.414 -1.692 1.00 72.30 N ATOM 1176 CA ASP B 116 7.887 -10.401 -0.672 1.00 34.50 C ATOM 1177 C ASP B 116 8.431 -9.878 0.654 1.00 50.40 C ATOM 1178 O ASP B 116 7.705 -9.255 1.430 1.00 53.20 O ATOM 1179 CB ASP B 116 7.313 -11.805 -0.481 1.00 14.00 C ATOM 1180 CG ASP B 116 8.398 -12.862 -0.324 1.00 2.01 C ATOM 1181 OD1 ASP B 116 9.078 -12.855 0.723 1.00 2.21 O ATOM 1182 OD2 ASP B 116 8.564 -13.688 -1.246 1.00 51.20 O ATOM 0 HA ASP B 116 7.093 -9.734 -1.008 1.00 34.50 H new ATOM 0 HB2 ASP B 116 6.671 -11.815 0.400 1.00 14.00 H new ATOM 0 HB3 ASP B 116 6.686 -12.057 -1.336 1.00 14.00 H new ATOM 1187 N GLU B 117 9.710 -10.130 0.906 1.00 41.40 N ATOM 1188 CA GLU B 117 10.352 -9.688 2.136 1.00 53.50 C ATOM 1189 C GLU B 117 10.577 -8.177 2.115 1.00 14.00 C ATOM 1190 O GLU B 117 10.545 -7.522 3.155 1.00 2.34 O ATOM 1191 CB GLU B 117 11.687 -10.415 2.335 1.00 13.40 C ATOM 1192 CG GLU B 117 11.536 -11.828 2.864 1.00 24.00 C ATOM 1193 CD GLU B 117 12.764 -12.684 2.605 1.00 11.00 C ATOM 1194 OE1 GLU B 117 13.864 -12.293 3.048 1.00 71.50 O ATOM 1195 OE2 GLU B 117 12.626 -13.744 1.958 1.00 43.20 O ATOM 0 H GLU B 117 10.324 -10.640 0.271 1.00 41.40 H new ATOM 0 HA GLU B 117 9.692 -9.930 2.969 1.00 53.50 H new ATOM 0 HB2 GLU B 117 12.219 -10.447 1.384 1.00 13.40 H new ATOM 0 HB3 GLU B 117 12.304 -9.841 3.026 1.00 13.40 H new ATOM 0 HG2 GLU B 117 11.343 -11.792 3.936 1.00 24.00 H new ATOM 0 HG3 GLU B 117 10.668 -12.295 2.399 1.00 24.00 H new ATOM 1202 N GLU B 118 10.805 -7.634 0.923 1.00 35.10 N ATOM 1203 CA GLU B 118 11.036 -6.205 0.767 1.00 32.20 C ATOM 1204 C GLU B 118 9.745 -5.424 0.963 1.00 10.00 C ATOM 1205 O GLU B 118 9.729 -4.394 1.635 1.00 4.30 O ATOM 1206 CB GLU B 118 11.622 -5.910 -0.616 1.00 14.20 C ATOM 1207 CG GLU B 118 13.139 -5.962 -0.658 1.00 50.20 C ATOM 1208 CD GLU B 118 13.670 -7.368 -0.872 1.00 72.30 C ATOM 1209 OE1 GLU B 118 13.631 -7.841 -2.025 1.00 35.50 O ATOM 1210 OE2 GLU B 118 14.118 -7.984 0.113 1.00 44.20 O ATOM 0 H GLU B 118 10.834 -8.164 0.052 1.00 35.10 H new ATOM 0 HA GLU B 118 11.749 -5.890 1.529 1.00 32.20 H new ATOM 0 HB2 GLU B 118 11.222 -6.629 -1.331 1.00 14.20 H new ATOM 0 HB3 GLU B 118 11.292 -4.922 -0.938 1.00 14.20 H new ATOM 0 HG2 GLU B 118 13.499 -5.316 -1.459 1.00 50.20 H new ATOM 0 HG3 GLU B 118 13.538 -5.565 0.275 1.00 50.20 H new ATOM 1217 N ILE B 119 8.659 -5.915 0.372 1.00 30.30 N ATOM 1218 CA ILE B 119 7.365 -5.269 0.483 1.00 32.20 C ATOM 1219 C ILE B 119 6.825 -5.358 1.906 1.00 22.30 C ATOM 1220 O ILE B 119 6.366 -4.366 2.471 1.00 51.20 O ATOM 1221 CB ILE B 119 6.339 -5.889 -0.485 1.00 4.14 C ATOM 1222 CG1 ILE B 119 6.912 -5.949 -1.902 1.00 75.10 C ATOM 1223 CG2 ILE B 119 5.042 -5.092 -0.466 1.00 22.20 C ATOM 1224 CD1 ILE B 119 5.950 -6.523 -2.919 1.00 22.30 C ATOM 0 H ILE B 119 8.656 -6.765 -0.192 1.00 30.30 H new ATOM 0 HA ILE B 119 7.513 -4.222 0.219 1.00 32.20 H new ATOM 0 HB ILE B 119 6.123 -6.906 -0.157 1.00 4.14 H new ATOM 0 HG12 ILE B 119 7.199 -4.944 -2.212 1.00 75.10 H new ATOM 0 HG13 ILE B 119 7.820 -6.551 -1.893 1.00 75.10 H new ATOM 0 HG21 ILE B 119 4.328 -5.543 -1.155 1.00 22.20 H new ATOM 0 HG22 ILE B 119 4.627 -5.097 0.542 1.00 22.20 H new ATOM 0 HG23 ILE B 119 5.242 -4.065 -0.771 1.00 22.20 H new ATOM 0 HD11 ILE B 119 6.423 -6.535 -3.901 1.00 22.30 H new ATOM 0 HD12 ILE B 119 5.682 -7.540 -2.633 1.00 22.30 H new ATOM 0 HD13 ILE B 119 5.051 -5.908 -2.957 1.00 22.30 H new ATOM 1236 N GLU B 120 6.884 -6.555 2.481 1.00 5.21 N ATOM 1237 CA GLU B 120 6.401 -6.774 3.840 1.00 74.00 C ATOM 1238 C GLU B 120 7.136 -5.879 4.832 1.00 21.20 C ATOM 1239 O GLU B 120 6.563 -5.439 5.828 1.00 10.40 O ATOM 1240 CB GLU B 120 6.576 -8.239 4.235 1.00 10.20 C ATOM 1241 CG GLU B 120 5.622 -8.690 5.330 1.00 21.30 C ATOM 1242 CD GLU B 120 6.296 -9.596 6.349 1.00 11.20 C ATOM 1243 OE1 GLU B 120 7.101 -10.461 5.941 1.00 44.00 O ATOM 1244 OE2 GLU B 120 6.017 -9.434 7.556 1.00 51.30 O ATOM 0 H GLU B 120 7.261 -7.387 2.028 1.00 5.21 H new ATOM 0 HA GLU B 120 5.341 -6.520 3.866 1.00 74.00 H new ATOM 0 HB2 GLU B 120 6.428 -8.865 3.355 1.00 10.20 H new ATOM 0 HB3 GLU B 120 7.601 -8.397 4.570 1.00 10.20 H new ATOM 0 HG2 GLU B 120 5.216 -7.815 5.838 1.00 21.30 H new ATOM 0 HG3 GLU B 120 4.780 -9.216 4.881 1.00 21.30 H new ATOM 1251 N ARG B 121 8.402 -5.603 4.551 1.00 63.50 N ATOM 1252 CA ARG B 121 9.220 -4.766 5.417 1.00 5.01 C ATOM 1253 C ARG B 121 8.806 -3.304 5.292 1.00 54.20 C ATOM 1254 O ARG B 121 8.901 -2.537 6.251 1.00 14.30 O ATOM 1255 CB ARG B 121 10.699 -4.915 5.069 1.00 4.21 C ATOM 1256 CG ARG B 121 11.627 -4.695 6.254 1.00 63.20 C ATOM 1257 CD ARG B 121 12.165 -3.280 6.286 1.00 1.24 C ATOM 1258 NE ARG B 121 13.337 -3.152 7.147 1.00 74.30 N ATOM 1259 CZ ARG B 121 14.185 -2.129 7.104 1.00 61.10 C ATOM 1260 NH1 ARG B 121 13.993 -1.137 6.244 1.00 11.30 N ATOM 1261 NH2 ARG B 121 15.224 -2.088 7.923 1.00 54.10 N ATOM 0 H ARG B 121 8.887 -5.950 3.724 1.00 63.50 H new ATOM 0 HA ARG B 121 9.066 -5.092 6.446 1.00 5.01 H new ATOM 0 HB2 ARG B 121 10.870 -5.912 4.664 1.00 4.21 H new ATOM 0 HB3 ARG B 121 10.952 -4.204 4.283 1.00 4.21 H new ATOM 0 HG2 ARG B 121 11.091 -4.902 7.180 1.00 63.20 H new ATOM 0 HG3 ARG B 121 12.457 -5.399 6.202 1.00 63.20 H new ATOM 0 HD2 ARG B 121 12.425 -2.970 5.274 1.00 1.24 H new ATOM 0 HD3 ARG B 121 11.384 -2.605 6.636 1.00 1.24 H new ATOM 0 HE ARG B 121 13.516 -3.894 7.824 1.00 74.30 H new ATOM 0 HH11 ARG B 121 13.192 -1.157 5.612 1.00 11.30 H new ATOM 0 HH12 ARG B 121 14.646 -0.354 6.214 1.00 11.30 H new ATOM 0 HH21 ARG B 121 15.377 -2.843 8.591 1.00 54.10 H new ATOM 0 HH22 ARG B 121 15.872 -1.301 7.886 1.00 54.10 H new ATOM 1275 N GLN B 122 8.347 -2.923 4.105 1.00 62.30 N ATOM 1276 CA GLN B 122 7.919 -1.551 3.856 1.00 14.20 C ATOM 1277 C GLN B 122 6.745 -1.175 4.755 1.00 14.40 C ATOM 1278 O GLN B 122 6.765 -0.138 5.417 1.00 42.30 O ATOM 1279 CB GLN B 122 7.528 -1.375 2.386 1.00 21.30 C ATOM 1280 CG GLN B 122 8.685 -0.955 1.495 1.00 43.10 C ATOM 1281 CD GLN B 122 8.235 -0.127 0.308 1.00 33.20 C ATOM 1282 OE1 GLN B 122 7.788 -0.799 -0.747 1.00 71.10 O flip ATOM 1283 NE2 GLN B 122 8.287 1.103 0.338 1.00 54.40 N flip ATOM 0 H GLN B 122 8.262 -3.544 3.301 1.00 62.30 H new ATOM 0 HA GLN B 122 8.754 -0.889 4.085 1.00 14.20 H new ATOM 0 HB2 GLN B 122 7.115 -2.313 2.014 1.00 21.30 H new ATOM 0 HB3 GLN B 122 6.737 -0.629 2.316 1.00 21.30 H new ATOM 0 HG2 GLN B 122 9.402 -0.381 2.083 1.00 43.10 H new ATOM 0 HG3 GLN B 122 9.205 -1.844 1.137 1.00 43.10 H new ATOM 0 HE21 GLN B 122 8.638 1.578 1.170 1.00 54.40 H new ATOM 0 HE22 GLN B 122 7.979 1.646 -0.469 1.00 54.40 H new ATOM 1292 N LEU B 123 5.724 -2.026 4.773 1.00 23.20 N ATOM 1293 CA LEU B 123 4.542 -1.782 5.592 1.00 32.20 C ATOM 1294 C LEU B 123 4.912 -1.698 7.070 1.00 1.25 C ATOM 1295 O LEU B 123 4.514 -0.766 7.768 1.00 60.00 O ATOM 1296 CB LEU B 123 3.507 -2.889 5.377 1.00 41.30 C ATOM 1297 CG LEU B 123 3.057 -3.081 3.925 1.00 15.10 C ATOM 1298 CD1 LEU B 123 3.753 -4.282 3.302 1.00 10.00 C ATOM 1299 CD2 LEU B 123 1.546 -3.242 3.852 1.00 1.34 C ATOM 0 H LEU B 123 5.691 -2.889 4.231 1.00 23.20 H new ATOM 0 HA LEU B 123 4.112 -0.828 5.288 1.00 32.20 H new ATOM 0 HB2 LEU B 123 3.922 -3.829 5.740 1.00 41.30 H new ATOM 0 HB3 LEU B 123 2.631 -2.670 5.987 1.00 41.30 H new ATOM 0 HG LEU B 123 3.336 -2.192 3.359 1.00 15.10 H new ATOM 0 HD11 LEU B 123 3.420 -4.401 2.271 1.00 10.00 H new ATOM 0 HD12 LEU B 123 4.832 -4.127 3.319 1.00 10.00 H new ATOM 0 HD13 LEU B 123 3.507 -5.180 3.869 1.00 10.00 H new ATOM 0 HD21 LEU B 123 1.244 -3.377 2.813 1.00 1.34 H new ATOM 0 HD22 LEU B 123 1.244 -4.113 4.434 1.00 1.34 H new ATOM 0 HD23 LEU B 123 1.065 -2.351 4.256 1.00 1.34 H new ATOM 1311 N LYS B 124 5.677 -2.679 7.539 1.00 54.00 N ATOM 1312 CA LYS B 124 6.100 -2.715 8.934 1.00 3.14 C ATOM 1313 C LYS B 124 6.925 -1.480 9.285 1.00 60.50 C ATOM 1314 O LYS B 124 6.897 -1.006 10.421 1.00 11.10 O ATOM 1315 CB LYS B 124 6.916 -3.980 9.208 1.00 43.40 C ATOM 1316 CG LYS B 124 7.270 -4.170 10.673 1.00 53.30 C ATOM 1317 CD LYS B 124 7.290 -5.641 11.056 1.00 30.10 C ATOM 1318 CE LYS B 124 6.724 -5.861 12.450 1.00 21.40 C ATOM 1319 NZ LYS B 124 5.941 -7.124 12.538 1.00 32.20 N ATOM 0 H LYS B 124 6.016 -3.458 6.974 1.00 54.00 H new ATOM 0 HA LYS B 124 5.207 -2.723 9.558 1.00 3.14 H new ATOM 0 HB2 LYS B 124 6.353 -4.847 8.864 1.00 43.40 H new ATOM 0 HB3 LYS B 124 7.835 -3.944 8.623 1.00 43.40 H new ATOM 0 HG2 LYS B 124 8.246 -3.728 10.873 1.00 53.30 H new ATOM 0 HG3 LYS B 124 6.547 -3.641 11.294 1.00 53.30 H new ATOM 0 HD2 LYS B 124 6.711 -6.215 10.332 1.00 30.10 H new ATOM 0 HD3 LYS B 124 8.313 -6.015 11.014 1.00 30.10 H new ATOM 0 HE2 LYS B 124 7.539 -5.888 13.173 1.00 21.40 H new ATOM 0 HE3 LYS B 124 6.087 -5.019 12.720 1.00 21.40 H new ATOM 0 HZ1 LYS B 124 5.572 -7.237 13.504 1.00 32.20 H new ATOM 0 HZ2 LYS B 124 5.148 -7.088 11.866 1.00 32.20 H new ATOM 0 HZ3 LYS B 124 6.555 -7.930 12.305 1.00 32.20 H new ATOM 1333 N ALA B 125 7.656 -0.965 8.302 1.00 61.20 N ATOM 1334 CA ALA B 125 8.487 0.215 8.507 1.00 63.10 C ATOM 1335 C ALA B 125 7.632 1.467 8.673 1.00 2.45 C ATOM 1336 O ALA B 125 7.855 2.266 9.583 1.00 65.40 O ATOM 1337 CB ALA B 125 9.456 0.386 7.347 1.00 12.20 C ATOM 0 H ALA B 125 7.690 -1.346 7.356 1.00 61.20 H new ATOM 0 HA ALA B 125 9.057 0.072 9.425 1.00 63.10 H new ATOM 0 HB1 ALA B 125 10.070 1.271 7.513 1.00 12.20 H new ATOM 0 HB2 ALA B 125 10.097 -0.493 7.276 1.00 12.20 H new ATOM 0 HB3 ALA B 125 8.896 0.502 6.419 1.00 12.20 H new ATOM 1343 N LEU B 126 6.654 1.630 7.789 1.00 70.10 N ATOM 1344 CA LEU B 126 5.765 2.786 7.838 1.00 73.30 C ATOM 1345 C LEU B 126 4.906 2.758 9.097 1.00 63.40 C ATOM 1346 O LEU B 126 4.541 3.803 9.635 1.00 73.20 O ATOM 1347 CB LEU B 126 4.871 2.821 6.597 1.00 44.00 C ATOM 1348 CG LEU B 126 5.511 3.445 5.355 1.00 71.10 C ATOM 1349 CD1 LEU B 126 4.833 2.937 4.093 1.00 51.30 C ATOM 1350 CD2 LEU B 126 5.441 4.963 5.427 1.00 11.10 C ATOM 0 H LEU B 126 6.456 0.977 7.030 1.00 70.10 H new ATOM 0 HA LEU B 126 6.380 3.686 7.860 1.00 73.30 H new ATOM 0 HB2 LEU B 126 4.568 1.802 6.358 1.00 44.00 H new ATOM 0 HB3 LEU B 126 3.964 3.375 6.837 1.00 44.00 H new ATOM 0 HG LEU B 126 6.560 3.150 5.322 1.00 71.10 H new ATOM 0 HD11 LEU B 126 5.301 3.392 3.220 1.00 51.30 H new ATOM 0 HD12 LEU B 126 4.935 1.853 4.036 1.00 51.30 H new ATOM 0 HD13 LEU B 126 3.776 3.201 4.116 1.00 51.30 H new ATOM 0 HD21 LEU B 126 5.901 5.391 4.536 1.00 11.10 H new ATOM 0 HD22 LEU B 126 4.399 5.277 5.484 1.00 11.10 H new ATOM 0 HD23 LEU B 126 5.974 5.310 6.312 1.00 11.10 H new ATOM 1362 N GLY B 127 4.585 1.555 9.562 1.00 11.40 N ATOM 1363 CA GLY B 127 3.770 1.414 10.754 1.00 44.10 C ATOM 1364 C GLY B 127 4.564 1.630 12.028 1.00 72.30 C ATOM 1365 O GLY B 127 4.028 2.106 13.028 1.00 71.20 O ATOM 0 H GLY B 127 4.875 0.675 9.134 1.00 11.40 H new ATOM 0 HA2 GLY B 127 2.949 2.130 10.716 1.00 44.10 H new ATOM 0 HA3 GLY B 127 3.325 0.419 10.771 1.00 44.10 H new ATOM 1369 N VAL B 128 5.845 1.279 11.991 1.00 12.40 N ATOM 1370 CA VAL B 128 6.713 1.437 13.151 1.00 43.50 C ATOM 1371 C VAL B 128 8.027 2.109 12.765 1.00 60.40 C ATOM 1372 O VAL B 128 8.715 1.668 11.845 1.00 12.20 O ATOM 1373 CB VAL B 128 7.019 0.081 13.814 1.00 73.10 C ATOM 1374 CG1 VAL B 128 7.757 0.283 15.129 1.00 71.40 C ATOM 1375 CG2 VAL B 128 5.738 -0.709 14.029 1.00 63.20 C ATOM 0 H VAL B 128 6.304 0.884 11.171 1.00 12.40 H new ATOM 0 HA VAL B 128 6.179 2.067 13.862 1.00 43.50 H new ATOM 0 HB VAL B 128 7.664 -0.491 13.147 1.00 73.10 H new ATOM 0 HG11 VAL B 128 7.964 -0.686 15.582 1.00 71.40 H new ATOM 0 HG12 VAL B 128 8.696 0.805 14.943 1.00 71.40 H new ATOM 0 HG13 VAL B 128 7.140 0.875 15.805 1.00 71.40 H new ATOM 0 HG21 VAL B 128 5.974 -1.664 14.498 1.00 63.20 H new ATOM 0 HG22 VAL B 128 5.066 -0.144 14.675 1.00 63.20 H new ATOM 0 HG23 VAL B 128 5.254 -0.886 13.068 1.00 63.20 H new ATOM 1385 N ASP B 129 8.370 3.178 13.476 1.00 73.40 N ATOM 1386 CA ASP B 129 9.602 3.912 13.208 1.00 14.00 C ATOM 1387 C ASP B 129 10.378 4.161 14.498 1.00 12.40 C ATOM 1388 O ASP B 129 11.466 4.769 14.424 1.00 30.20 O ATOM 1389 CB ASP B 129 9.289 5.242 12.522 1.00 62.30 C ATOM 1390 CG ASP B 129 8.418 6.143 13.377 1.00 4.34 C ATOM 1391 OD1 ASP B 129 7.222 5.824 13.547 1.00 2.33 O ATOM 1392 OD2 ASP B 129 8.933 7.166 13.875 1.00 71.10 O ATOM 1393 OXT ASP B 129 9.889 3.748 15.571 1.00 36.70 O ATOM 0 H ASP B 129 7.812 3.556 14.242 1.00 73.40 H new ATOM 0 HA ASP B 129 10.220 3.306 12.545 1.00 14.00 H new ATOM 0 HB2 ASP B 129 10.222 5.756 12.290 1.00 62.30 H new ATOM 0 HB3 ASP B 129 8.787 5.049 11.574 1.00 62.30 H new TER 1398 ASP B 129