USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 712 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 5 THR OG1 : rot 14:sc= 0.616 USER MOD Single : A 7 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.63) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0448) USER MOD Single : A 14 THR OG1 : rot 80:sc= 1.05 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -58:sc= 0.19 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -1.45 K(o=-1.4,f=-6.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 110:sc= -1.21 USER MOD Single : A 33 GLN : amide:sc= -12.2! C(o=-12!,f=-11!) USER MOD Single : A 34 HIS : no HD1:sc= -0.546 K(o=-0.55,f=-2.3) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= 0.087 K(o=0.087,f=-1.9) USER MOD Single : A 44 LYS NZ :NH3+ -113:sc= -0.458 (180deg=-1.73!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 49 SER OG : rot -33:sc= 0.186! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 42:sc= 1.23 USER MOD Single : A 62 GLN : amide:sc= -1.36 K(o=-1.4,f=-6.4!) USER MOD Single : A 63 TYR OH : rot -171:sc= -1.47 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -124:sc= 0 (180deg=-1.4!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 SER OG : rot 134:sc= 1.03 USER MOD Single : B 127 ASN : amide:sc= -0.617 K(o=-0.62,f=0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -9.921 -8.719 8.137 1.00 53.40 N ATOM 2 CA THR A 5 -8.893 -7.776 7.713 1.00 74.00 C ATOM 3 C THR A 5 -8.203 -8.260 6.441 1.00 23.30 C ATOM 4 O THR A 5 -7.996 -7.489 5.504 1.00 23.20 O ATOM 5 CB THR A 5 -7.861 -7.580 8.824 1.00 34.10 C ATOM 6 OG1 THR A 5 -8.451 -7.776 10.097 1.00 5.03 O ATOM 7 CG2 THR A 5 -7.229 -6.205 8.818 1.00 63.10 C ATOM 0 HA THR A 5 -9.375 -6.821 7.503 1.00 74.00 H new ATOM 0 HB THR A 5 -7.084 -8.320 8.630 1.00 34.10 H new ATOM 0 HG1 THR A 5 -9.326 -8.205 9.990 1.00 5.03 H new ATOM 0 HG21 THR A 5 -6.507 -6.133 9.631 1.00 63.10 H new ATOM 0 HG22 THR A 5 -6.722 -6.042 7.867 1.00 63.10 H new ATOM 0 HG23 THR A 5 -8.002 -5.449 8.952 1.00 63.10 H new ATOM 15 N LEU A 6 -7.849 -9.540 6.417 1.00 75.10 N ATOM 16 CA LEU A 6 -7.182 -10.120 5.260 1.00 21.40 C ATOM 17 C LEU A 6 -8.059 -10.020 4.016 1.00 73.50 C ATOM 18 O LEU A 6 -7.577 -9.697 2.931 1.00 13.40 O ATOM 19 CB LEU A 6 -6.836 -11.590 5.533 1.00 44.00 C ATOM 20 CG LEU A 6 -5.488 -11.820 6.219 1.00 60.30 C ATOM 21 CD1 LEU A 6 -5.646 -11.790 7.731 1.00 60.40 C ATOM 22 CD2 LEU A 6 -4.880 -13.140 5.768 1.00 11.20 C ATOM 0 H LEU A 6 -8.013 -10.193 7.183 1.00 75.10 H new ATOM 0 HA LEU A 6 -6.265 -9.559 5.082 1.00 21.40 H new ATOM 0 HB2 LEU A 6 -7.621 -12.023 6.153 1.00 44.00 H new ATOM 0 HB3 LEU A 6 -6.842 -12.131 4.587 1.00 44.00 H new ATOM 0 HG LEU A 6 -4.812 -11.015 5.931 1.00 60.30 H new ATOM 0 HD11 LEU A 6 -4.677 -11.955 8.201 1.00 60.40 H new ATOM 0 HD12 LEU A 6 -6.037 -10.820 8.037 1.00 60.40 H new ATOM 0 HD13 LEU A 6 -6.338 -12.574 8.040 1.00 60.40 H new ATOM 0 HD21 LEU A 6 -3.922 -13.288 6.266 1.00 11.20 H new ATOM 0 HD22 LEU A 6 -5.553 -13.958 6.026 1.00 11.20 H new ATOM 0 HD23 LEU A 6 -4.729 -13.121 4.689 1.00 11.20 H new ATOM 34 N GLN A 7 -9.347 -10.300 4.182 1.00 14.00 N ATOM 35 CA GLN A 7 -10.290 -10.240 3.072 1.00 73.10 C ATOM 36 C GLN A 7 -10.330 -8.838 2.474 1.00 64.30 C ATOM 37 O GLN A 7 -10.510 -8.672 1.266 1.00 54.10 O ATOM 38 CB GLN A 7 -11.680 -10.650 3.539 1.00 54.50 C ATOM 39 CG GLN A 7 -12.550 -11.220 2.430 1.00 52.10 C ATOM 40 CD GLN A 7 -11.900 -12.380 1.712 1.00 61.20 C ATOM 41 OE1 GLN A 7 -12.050 -13.530 2.111 1.00 64.10 O ATOM 42 NE2 GLN A 7 -11.160 -12.080 0.646 1.00 13.50 N ATOM 0 H GLN A 7 -9.761 -10.571 5.074 1.00 14.00 H new ATOM 0 HA GLN A 7 -9.957 -10.935 2.301 1.00 73.10 H new ATOM 0 HB2 GLN A 7 -11.584 -11.392 4.332 1.00 54.50 H new ATOM 0 HB3 GLN A 7 -12.179 -9.783 3.972 1.00 54.50 H new ATOM 0 HG2 GLN A 7 -13.500 -11.547 2.852 1.00 52.10 H new ATOM 0 HG3 GLN A 7 -12.775 -10.433 1.710 1.00 52.10 H new ATOM 0 HE21 GLN A 7 -11.063 -11.109 0.350 1.00 13.50 H new ATOM 0 HE22 GLN A 7 -10.690 -12.821 0.126 1.00 13.50 H new ATOM 51 N LYS A 8 -10.170 -7.831 3.327 1.00 55.20 N ATOM 52 CA LYS A 8 -10.190 -6.443 2.883 1.00 14.40 C ATOM 53 C LYS A 8 -8.862 -6.050 2.261 1.00 23.00 C ATOM 54 O LYS A 8 -8.816 -5.308 1.280 1.00 11.30 O ATOM 55 CB LYS A 8 -10.520 -5.515 4.056 1.00 44.00 C ATOM 56 CG LYS A 8 -12.000 -5.265 4.242 1.00 4.23 C ATOM 57 CD LYS A 8 -12.440 -3.974 3.568 1.00 14.50 C ATOM 58 CE LYS A 8 -13.030 -4.237 2.194 1.00 2.42 C ATOM 59 NZ LYS A 8 -12.970 -3.032 1.322 1.00 42.30 N ATOM 0 H LYS A 8 -10.025 -7.951 4.329 1.00 55.20 H new ATOM 0 HA LYS A 8 -10.964 -6.342 2.123 1.00 14.40 H new ATOM 0 HB2 LYS A 8 -10.116 -5.946 4.972 1.00 44.00 H new ATOM 0 HB3 LYS A 8 -10.016 -4.560 3.904 1.00 44.00 H new ATOM 0 HG2 LYS A 8 -12.565 -6.101 3.831 1.00 4.23 H new ATOM 0 HG3 LYS A 8 -12.230 -5.217 5.306 1.00 4.23 H new ATOM 0 HD2 LYS A 8 -13.178 -3.470 4.192 1.00 14.50 H new ATOM 0 HD3 LYS A 8 -11.587 -3.301 3.476 1.00 14.50 H new ATOM 0 HE2 LYS A 8 -12.490 -5.056 1.718 1.00 2.42 H new ATOM 0 HE3 LYS A 8 -14.067 -4.557 2.300 1.00 2.42 H new ATOM 0 HZ1 LYS A 8 -13.670 -3.121 0.558 1.00 42.30 H new ATOM 0 HZ2 LYS A 8 -13.179 -2.184 1.887 1.00 42.30 H new ATOM 0 HZ3 LYS A 8 -12.018 -2.948 0.911 1.00 42.30 H new ATOM 73 N ALA A 9 -7.776 -6.554 2.838 1.00 15.40 N ATOM 74 CA ALA A 9 -6.438 -6.257 2.340 1.00 61.20 C ATOM 75 C ALA A 9 -6.270 -6.735 0.902 1.00 63.50 C ATOM 76 O ALA A 9 -5.842 -5.977 0.032 1.00 62.00 O ATOM 77 CB ALA A 9 -5.388 -6.895 3.237 1.00 22.30 C ATOM 0 H ALA A 9 -7.796 -7.170 3.651 1.00 15.40 H new ATOM 0 HA ALA A 9 -6.303 -5.176 2.354 1.00 61.20 H new ATOM 0 HB1 ALA A 9 -4.394 -6.665 2.854 1.00 22.30 H new ATOM 0 HB2 ALA A 9 -5.486 -6.502 4.249 1.00 22.30 H new ATOM 0 HB3 ALA A 9 -5.530 -7.976 3.252 1.00 22.30 H new ATOM 83 N ILE A 10 -6.609 -7.997 0.660 1.00 14.40 N ATOM 84 CA ILE A 10 -6.496 -8.575 -0.673 1.00 42.40 C ATOM 85 C ILE A 10 -7.505 -7.949 -1.629 1.00 0.45 C ATOM 86 O ILE A 10 -7.240 -7.807 -2.823 1.00 44.00 O ATOM 87 CB ILE A 10 -6.710 -10.100 -0.646 1.00 61.40 C ATOM 88 CG1 ILE A 10 -5.824 -10.740 0.423 1.00 4.03 C ATOM 89 CG2 ILE A 10 -6.419 -10.700 -2.013 1.00 70.20 C ATOM 90 CD1 ILE A 10 -5.979 -12.240 0.514 1.00 21.40 C ATOM 0 H ILE A 10 -6.964 -8.638 1.369 1.00 14.40 H new ATOM 0 HA ILE A 10 -5.486 -8.365 -1.024 1.00 42.40 H new ATOM 0 HB ILE A 10 -7.752 -10.303 -0.397 1.00 61.40 H new ATOM 0 HG12 ILE A 10 -4.782 -10.502 0.210 1.00 4.03 H new ATOM 0 HG13 ILE A 10 -6.060 -10.299 1.391 1.00 4.03 H new ATOM 0 HG21 ILE A 10 -6.575 -11.778 -1.978 1.00 70.20 H new ATOM 0 HG22 ILE A 10 -7.088 -10.261 -2.753 1.00 70.20 H new ATOM 0 HG23 ILE A 10 -5.385 -10.492 -2.289 1.00 70.20 H new ATOM 0 HD11 ILE A 10 -5.321 -12.627 1.292 1.00 21.40 H new ATOM 0 HD12 ILE A 10 -7.013 -12.485 0.758 1.00 21.40 H new ATOM 0 HD13 ILE A 10 -5.715 -12.692 -0.442 1.00 21.40 H new ATOM 102 N ASP A 11 -8.664 -7.575 -1.096 1.00 45.10 N ATOM 103 CA ASP A 11 -9.713 -6.962 -1.903 1.00 32.20 C ATOM 104 C ASP A 11 -9.219 -5.669 -2.544 1.00 63.40 C ATOM 105 O ASP A 11 -9.532 -5.377 -3.698 1.00 0.23 O ATOM 106 CB ASP A 11 -10.940 -6.680 -1.043 1.00 1.32 C ATOM 107 CG ASP A 11 -11.910 -7.843 -1.029 1.00 31.40 C ATOM 108 OD1 ASP A 11 -11.850 -8.681 -1.953 1.00 65.10 O ATOM 109 OD2 ASP A 11 -12.740 -7.916 -0.094 1.00 1.52 O ATOM 0 H ASP A 11 -8.900 -7.686 -0.110 1.00 45.10 H new ATOM 0 HA ASP A 11 -9.984 -7.659 -2.696 1.00 32.20 H new ATOM 0 HB2 ASP A 11 -10.624 -6.461 -0.023 1.00 1.32 H new ATOM 0 HB3 ASP A 11 -11.447 -5.791 -1.418 1.00 1.32 H new ATOM 114 N LEU A 12 -8.445 -4.898 -1.787 1.00 31.20 N ATOM 115 CA LEU A 12 -7.906 -3.637 -2.281 1.00 53.00 C ATOM 116 C LEU A 12 -6.853 -3.881 -3.357 1.00 32.40 C ATOM 117 O LEU A 12 -6.829 -3.201 -4.382 1.00 12.50 O ATOM 118 CB LEU A 12 -7.301 -2.830 -1.130 1.00 72.10 C ATOM 119 CG LEU A 12 -8.268 -1.871 -0.433 1.00 53.10 C ATOM 120 CD1 LEU A 12 -8.735 -0.791 -1.396 1.00 41.00 C ATOM 121 CD2 LEU A 12 -9.456 -2.633 0.134 1.00 45.20 C ATOM 0 H LEU A 12 -8.177 -5.125 -0.829 1.00 31.20 H new ATOM 0 HA LEU A 12 -8.725 -3.068 -2.722 1.00 53.00 H new ATOM 0 HB2 LEU A 12 -6.904 -3.524 -0.389 1.00 72.10 H new ATOM 0 HB3 LEU A 12 -6.457 -2.256 -1.513 1.00 72.10 H new ATOM 0 HG LEU A 12 -7.743 -1.390 0.392 1.00 53.10 H new ATOM 0 HD11 LEU A 12 -9.422 -0.118 -0.883 1.00 41.00 H new ATOM 0 HD12 LEU A 12 -7.874 -0.226 -1.755 1.00 41.00 H new ATOM 0 HD13 LEU A 12 -9.244 -1.253 -2.242 1.00 41.00 H new ATOM 0 HD21 LEU A 12 -10.134 -1.936 0.626 1.00 45.20 H new ATOM 0 HD22 LEU A 12 -9.982 -3.141 -0.674 1.00 45.20 H new ATOM 0 HD23 LEU A 12 -9.105 -3.369 0.857 1.00 45.20 H new ATOM 133 N VAL A 13 -5.984 -4.858 -3.116 1.00 44.50 N ATOM 134 CA VAL A 13 -4.929 -5.192 -4.065 1.00 21.20 C ATOM 135 C VAL A 13 -5.515 -5.608 -5.410 1.00 50.20 C ATOM 136 O VAL A 13 -5.024 -5.202 -6.464 1.00 54.00 O ATOM 137 CB VAL A 13 -4.034 -6.328 -3.535 1.00 32.10 C ATOM 138 CG1 VAL A 13 -2.841 -6.543 -4.455 1.00 11.10 C ATOM 139 CG2 VAL A 13 -3.576 -6.029 -2.116 1.00 44.10 C ATOM 0 H VAL A 13 -5.990 -5.431 -2.272 1.00 44.50 H new ATOM 0 HA VAL A 13 -4.324 -4.295 -4.195 1.00 21.20 H new ATOM 0 HB VAL A 13 -4.619 -7.248 -3.517 1.00 32.10 H new ATOM 0 HG11 VAL A 13 -2.221 -7.349 -4.064 1.00 11.10 H new ATOM 0 HG12 VAL A 13 -3.193 -6.807 -5.452 1.00 11.10 H new ATOM 0 HG13 VAL A 13 -2.253 -5.627 -4.509 1.00 11.10 H new ATOM 0 HG21 VAL A 13 -2.945 -6.843 -1.758 1.00 44.10 H new ATOM 0 HG22 VAL A 13 -3.009 -5.098 -2.105 1.00 44.10 H new ATOM 0 HG23 VAL A 13 -4.446 -5.932 -1.466 1.00 44.10 H new ATOM 149 N THR A 14 -6.568 -6.418 -5.367 1.00 30.30 N ATOM 150 CA THR A 14 -7.222 -6.889 -6.583 1.00 34.20 C ATOM 151 C THR A 14 -7.704 -5.716 -7.431 1.00 75.30 C ATOM 152 O THR A 14 -7.456 -5.666 -8.636 1.00 63.10 O ATOM 153 CB THR A 14 -8.401 -7.798 -6.233 1.00 51.20 C ATOM 154 OG1 THR A 14 -8.037 -8.727 -5.227 1.00 53.40 O ATOM 155 CG2 THR A 14 -8.922 -8.584 -7.417 1.00 20.30 C ATOM 0 H THR A 14 -6.987 -6.762 -4.503 1.00 30.30 H new ATOM 0 HA THR A 14 -6.493 -7.457 -7.161 1.00 34.20 H new ATOM 0 HB THR A 14 -9.189 -7.129 -5.886 1.00 51.20 H new ATOM 0 HG1 THR A 14 -8.065 -8.288 -4.351 1.00 53.40 H new ATOM 0 HG21 THR A 14 -9.757 -9.208 -7.100 1.00 20.30 H new ATOM 0 HG22 THR A 14 -9.258 -7.895 -8.192 1.00 20.30 H new ATOM 0 HG23 THR A 14 -8.127 -9.216 -7.813 1.00 20.30 H new ATOM 163 N LYS A 15 -8.391 -4.775 -6.793 1.00 31.40 N ATOM 164 CA LYS A 15 -8.907 -3.601 -7.489 1.00 73.20 C ATOM 165 C LYS A 15 -7.767 -2.751 -8.041 1.00 11.20 C ATOM 166 O LYS A 15 -7.924 -2.067 -9.053 1.00 34.20 O ATOM 167 CB LYS A 15 -9.773 -2.764 -6.546 1.00 63.40 C ATOM 168 CG LYS A 15 -11.020 -3.482 -6.070 1.00 64.40 C ATOM 169 CD LYS A 15 -12.160 -2.508 -5.807 1.00 15.30 C ATOM 170 CE LYS A 15 -13.430 -3.233 -5.410 1.00 25.20 C ATOM 171 NZ LYS A 15 -14.220 -2.465 -4.405 1.00 32.40 N ATOM 0 H LYS A 15 -8.604 -4.802 -5.796 1.00 31.40 H new ATOM 0 HA LYS A 15 -9.518 -3.943 -8.324 1.00 73.20 H new ATOM 0 HB2 LYS A 15 -9.178 -2.475 -5.680 1.00 63.40 H new ATOM 0 HB3 LYS A 15 -10.065 -1.845 -7.054 1.00 63.40 H new ATOM 0 HG2 LYS A 15 -11.329 -4.211 -6.819 1.00 64.40 H new ATOM 0 HG3 LYS A 15 -10.796 -4.036 -5.158 1.00 64.40 H new ATOM 0 HD2 LYS A 15 -11.873 -1.815 -5.016 1.00 15.30 H new ATOM 0 HD3 LYS A 15 -12.344 -1.912 -6.701 1.00 15.30 H new ATOM 0 HE2 LYS A 15 -14.041 -3.406 -6.296 1.00 25.20 H new ATOM 0 HE3 LYS A 15 -13.177 -4.211 -5.001 1.00 25.20 H new ATOM 0 HZ1 LYS A 15 -15.080 -2.996 -4.161 1.00 32.40 H new ATOM 0 HZ2 LYS A 15 -13.647 -2.321 -3.549 1.00 32.40 H new ATOM 0 HZ3 LYS A 15 -14.484 -1.541 -4.803 1.00 32.40 H new ATOM 185 N ALA A 16 -6.619 -2.800 -7.372 1.00 74.10 N ATOM 186 CA ALA A 16 -5.454 -2.034 -7.797 1.00 70.50 C ATOM 187 C ALA A 16 -4.766 -2.700 -8.983 1.00 20.30 C ATOM 188 O ALA A 16 -4.236 -2.024 -9.866 1.00 54.40 O ATOM 189 CB ALA A 16 -4.479 -1.873 -6.641 1.00 3.23 C ATOM 0 H ALA A 16 -6.471 -3.362 -6.534 1.00 74.10 H new ATOM 0 HA ALA A 16 -5.792 -1.047 -8.112 1.00 70.50 H new ATOM 0 HB1 ALA A 16 -3.614 -1.299 -6.972 1.00 3.23 H new ATOM 0 HB2 ALA A 16 -4.970 -1.349 -5.821 1.00 3.23 H new ATOM 0 HB3 ALA A 16 -4.154 -2.856 -6.300 1.00 3.23 H new ATOM 195 N THR A 17 -4.777 -4.029 -8.997 1.00 73.40 N ATOM 196 CA THR A 17 -4.155 -4.787 -10.070 1.00 74.50 C ATOM 197 C THR A 17 -4.799 -4.450 -11.410 1.00 30.20 C ATOM 198 O THR A 17 -4.108 -4.232 -12.410 1.00 54.00 O ATOM 199 CB THR A 17 -4.264 -6.291 -9.804 1.00 44.40 C ATOM 200 OG1 THR A 17 -4.888 -6.534 -8.555 1.00 54.40 O ATOM 201 CG2 THR A 17 -2.925 -6.994 -9.791 1.00 32.30 C ATOM 0 H THR A 17 -5.212 -4.602 -8.274 1.00 73.40 H new ATOM 0 HA THR A 17 -3.101 -4.513 -10.108 1.00 74.50 H new ATOM 0 HB THR A 17 -4.857 -6.689 -10.627 1.00 44.40 H new ATOM 0 HG1 THR A 17 -4.374 -6.100 -7.843 1.00 54.40 H new ATOM 0 HG21 THR A 17 -3.074 -8.056 -9.597 1.00 32.30 H new ATOM 0 HG22 THR A 17 -2.437 -6.866 -10.757 1.00 32.30 H new ATOM 0 HG23 THR A 17 -2.297 -6.567 -9.009 1.00 32.30 H new ATOM 209 N GLU A 18 -6.128 -4.407 -11.430 1.00 42.50 N ATOM 210 CA GLU A 18 -6.868 -4.095 -12.650 1.00 64.30 C ATOM 211 C GLU A 18 -6.691 -2.628 -13.030 1.00 61.20 C ATOM 212 O GLU A 18 -6.625 -2.286 -14.210 1.00 5.25 O ATOM 213 CB GLU A 18 -8.354 -4.409 -12.460 1.00 53.40 C ATOM 214 CG GLU A 18 -8.616 -5.698 -11.700 1.00 4.33 C ATOM 215 CD GLU A 18 -10.040 -6.183 -11.850 1.00 71.10 C ATOM 216 OE1 GLU A 18 -10.380 -6.699 -12.930 1.00 4.50 O ATOM 217 OE2 GLU A 18 -10.820 -6.046 -10.880 1.00 11.50 O ATOM 0 H GLU A 18 -6.715 -4.584 -10.615 1.00 42.50 H new ATOM 0 HA GLU A 18 -6.472 -4.712 -13.457 1.00 64.30 H new ATOM 0 HB2 GLU A 18 -8.825 -3.582 -11.928 1.00 53.40 H new ATOM 0 HB3 GLU A 18 -8.831 -4.472 -13.438 1.00 53.40 H new ATOM 0 HG2 GLU A 18 -7.934 -6.470 -12.056 1.00 4.33 H new ATOM 0 HG3 GLU A 18 -8.398 -5.543 -10.643 1.00 4.33 H new ATOM 224 N GLU A 19 -6.616 -1.768 -12.020 1.00 63.30 N ATOM 225 CA GLU A 19 -6.447 -0.337 -12.240 1.00 61.30 C ATOM 226 C GLU A 19 -5.062 -0.035 -12.810 1.00 5.52 C ATOM 227 O GLU A 19 -4.928 0.679 -13.800 1.00 44.40 O ATOM 228 CB GLU A 19 -6.660 0.434 -10.940 1.00 3.04 C ATOM 229 CG GLU A 19 -8.099 0.870 -10.720 1.00 44.50 C ATOM 230 CD GLU A 19 -9.077 -0.285 -10.800 1.00 3.41 C ATOM 231 OE1 GLU A 19 -9.127 -0.946 -11.860 1.00 34.40 O ATOM 232 OE2 GLU A 19 -9.794 -0.529 -9.814 1.00 45.50 O ATOM 0 H GLU A 19 -6.670 -2.039 -11.038 1.00 63.30 H new ATOM 0 HA GLU A 19 -7.196 -0.016 -12.964 1.00 61.30 H new ATOM 0 HB2 GLU A 19 -6.346 -0.189 -10.102 1.00 3.04 H new ATOM 0 HB3 GLU A 19 -6.018 1.315 -10.941 1.00 3.04 H new ATOM 0 HG2 GLU A 19 -8.185 1.347 -9.744 1.00 44.50 H new ATOM 0 HG3 GLU A 19 -8.366 1.619 -11.465 1.00 44.50 H new ATOM 239 N ASP A 20 -4.035 -0.583 -12.170 1.00 51.20 N ATOM 240 CA ASP A 20 -2.660 -0.371 -12.600 1.00 34.10 C ATOM 241 C ASP A 20 -2.459 -0.863 -14.030 1.00 63.40 C ATOM 242 O ASP A 20 -1.893 -0.158 -14.870 1.00 74.10 O ATOM 243 CB ASP A 20 -1.688 -1.088 -11.660 1.00 25.20 C ATOM 244 CG ASP A 20 -0.258 -0.618 -11.840 1.00 64.10 C ATOM 245 OD1 ASP A 20 0.058 0.504 -11.390 1.00 45.10 O ATOM 246 OD2 ASP A 20 0.546 -1.371 -12.430 1.00 13.30 O ATOM 0 H ASP A 20 -4.131 -1.180 -11.348 1.00 51.20 H new ATOM 0 HA ASP A 20 -2.457 0.699 -12.568 1.00 34.10 H new ATOM 0 HB2 ASP A 20 -1.995 -0.921 -10.628 1.00 25.20 H new ATOM 0 HB3 ASP A 20 -1.740 -2.162 -11.838 1.00 25.20 H new ATOM 251 N LYS A 21 -2.924 -2.077 -14.310 1.00 11.40 N ATOM 252 CA LYS A 21 -2.795 -2.663 -15.640 1.00 24.50 C ATOM 253 C LYS A 21 -3.592 -1.869 -16.670 1.00 43.40 C ATOM 254 O LYS A 21 -3.292 -1.909 -17.860 1.00 32.00 O ATOM 255 CB LYS A 21 -3.264 -4.120 -15.620 1.00 63.00 C ATOM 256 CG LYS A 21 -4.752 -4.280 -15.360 1.00 35.10 C ATOM 257 CD LYS A 21 -5.151 -5.745 -15.290 1.00 35.20 C ATOM 258 CE LYS A 21 -6.502 -5.985 -15.940 1.00 2.02 C ATOM 259 NZ LYS A 21 -6.364 -6.460 -17.350 1.00 2.13 N ATOM 0 H LYS A 21 -3.395 -2.675 -13.631 1.00 11.40 H new ATOM 0 HA LYS A 21 -1.744 -2.629 -15.926 1.00 24.50 H new ATOM 0 HB2 LYS A 21 -3.019 -4.584 -16.575 1.00 63.00 H new ATOM 0 HB3 LYS A 21 -2.710 -4.660 -14.852 1.00 63.00 H new ATOM 0 HG2 LYS A 21 -5.014 -3.785 -14.425 1.00 35.10 H new ATOM 0 HG3 LYS A 21 -5.316 -3.786 -16.151 1.00 35.10 H new ATOM 0 HD2 LYS A 21 -4.394 -6.353 -15.785 1.00 35.20 H new ATOM 0 HD3 LYS A 21 -5.185 -6.065 -14.248 1.00 35.20 H new ATOM 0 HE2 LYS A 21 -7.058 -6.722 -15.361 1.00 2.02 H new ATOM 0 HE3 LYS A 21 -7.083 -5.063 -15.923 1.00 2.02 H new ATOM 0 HZ1 LYS A 21 -7.308 -6.612 -17.759 1.00 2.13 H new ATOM 0 HZ2 LYS A 21 -5.856 -5.745 -17.909 1.00 2.13 H new ATOM 0 HZ3 LYS A 21 -5.832 -7.353 -17.365 1.00 2.13 H new ATOM 273 N ALA A 22 -4.609 -1.148 -16.200 1.00 72.50 N ATOM 274 CA ALA A 22 -5.445 -0.348 -17.090 1.00 22.20 C ATOM 275 C ALA A 22 -4.987 1.107 -17.120 1.00 44.40 C ATOM 276 O ALA A 22 -5.787 2.014 -17.350 1.00 42.10 O ATOM 277 CB ALA A 22 -6.902 -0.433 -16.660 1.00 23.50 C ATOM 0 H ALA A 22 -4.872 -1.102 -15.215 1.00 72.50 H new ATOM 0 HA ALA A 22 -5.347 -0.752 -18.098 1.00 22.20 H new ATOM 0 HB1 ALA A 22 -7.515 0.168 -17.332 1.00 23.50 H new ATOM 0 HB2 ALA A 22 -7.233 -1.471 -16.698 1.00 23.50 H new ATOM 0 HB3 ALA A 22 -7.003 -0.057 -15.642 1.00 23.50 H new ATOM 283 N LYS A 23 -3.694 1.323 -16.890 1.00 31.20 N ATOM 284 CA LYS A 23 -3.131 2.669 -16.900 1.00 71.20 C ATOM 285 C LYS A 23 -3.845 3.563 -15.890 1.00 64.30 C ATOM 286 O LYS A 23 -4.510 4.531 -16.260 1.00 4.41 O ATOM 287 CB LYS A 23 -3.228 3.280 -18.300 1.00 4.21 C ATOM 288 CG LYS A 23 -2.644 2.397 -19.390 1.00 31.50 C ATOM 289 CD LYS A 23 -1.216 2.796 -19.720 1.00 0.43 C ATOM 290 CE LYS A 23 -0.501 1.704 -20.500 1.00 52.20 C ATOM 291 NZ LYS A 23 0.837 2.149 -20.980 1.00 13.10 N ATOM 0 H LYS A 23 -3.018 0.584 -16.695 1.00 31.20 H new ATOM 0 HA LYS A 23 -2.080 2.597 -16.618 1.00 71.20 H new ATOM 0 HB2 LYS A 23 -4.275 3.481 -18.528 1.00 4.21 H new ATOM 0 HB3 LYS A 23 -2.711 4.240 -18.305 1.00 4.21 H new ATOM 0 HG2 LYS A 23 -2.667 1.356 -19.069 1.00 31.50 H new ATOM 0 HG3 LYS A 23 -3.260 2.468 -20.287 1.00 31.50 H new ATOM 0 HD2 LYS A 23 -1.219 3.718 -20.302 1.00 0.43 H new ATOM 0 HD3 LYS A 23 -0.672 3.003 -18.798 1.00 0.43 H new ATOM 0 HE2 LYS A 23 -0.386 0.823 -19.868 1.00 52.20 H new ATOM 0 HE3 LYS A 23 -1.112 1.407 -21.352 1.00 52.20 H new ATOM 0 HZ1 LYS A 23 1.292 1.376 -21.507 1.00 13.10 H new ATOM 0 HZ2 LYS A 23 0.725 2.974 -21.603 1.00 13.10 H new ATOM 0 HZ3 LYS A 23 1.430 2.408 -20.165 1.00 13.10 H new ATOM 305 N ASN A 24 -3.702 3.231 -14.610 1.00 74.40 N ATOM 306 CA ASN A 24 -4.333 4.003 -13.540 1.00 74.50 C ATOM 307 C ASN A 24 -3.385 4.170 -12.360 1.00 73.50 C ATOM 308 O ASN A 24 -3.579 3.565 -11.300 1.00 54.00 O ATOM 309 CB ASN A 24 -5.627 3.324 -13.090 1.00 42.40 C ATOM 310 CG ASN A 24 -6.732 4.321 -12.800 1.00 55.50 C ATOM 311 OD1 ASN A 24 -6.529 5.296 -12.080 1.00 61.10 O ATOM 312 ND2 ASN A 24 -7.910 4.079 -13.360 1.00 5.34 N ATOM 0 H ASN A 24 -3.155 2.433 -14.287 1.00 74.40 H new ATOM 0 HA ASN A 24 -4.572 4.993 -13.928 1.00 74.50 H new ATOM 0 HB2 ASN A 24 -5.959 2.632 -13.864 1.00 42.40 H new ATOM 0 HB3 ASN A 24 -5.432 2.732 -12.196 1.00 42.40 H new ATOM 0 HD21 ASN A 24 -8.691 4.715 -13.199 1.00 5.34 H new ATOM 0 HD22 ASN A 24 -8.034 3.257 -13.951 1.00 5.34 H new ATOM 319 N TYR A 25 -2.359 4.994 -12.540 1.00 21.30 N ATOM 320 CA TYR A 25 -1.381 5.241 -11.490 1.00 22.40 C ATOM 321 C TYR A 25 -2.031 5.923 -10.290 1.00 40.50 C ATOM 322 O TYR A 25 -1.605 5.735 -9.155 1.00 43.00 O ATOM 323 CB TYR A 25 -0.235 6.103 -12.020 1.00 23.10 C ATOM 324 CG TYR A 25 0.362 5.589 -13.310 1.00 42.50 C ATOM 325 CD1 TYR A 25 0.610 4.234 -13.490 1.00 14.10 C ATOM 326 CD2 TYR A 25 0.676 6.459 -14.350 1.00 22.40 C ATOM 327 CE1 TYR A 25 1.155 3.761 -14.670 1.00 32.40 C ATOM 328 CE2 TYR A 25 1.220 5.993 -15.530 1.00 54.30 C ATOM 329 CZ TYR A 25 1.458 4.644 -15.690 1.00 53.40 C ATOM 330 OH TYR A 25 2.001 4.176 -16.860 1.00 41.30 O ATOM 0 H TYR A 25 -2.184 5.503 -13.406 1.00 21.30 H new ATOM 0 HA TYR A 25 -0.983 4.279 -11.168 1.00 22.40 H new ATOM 0 HB2 TYR A 25 -0.598 7.119 -12.177 1.00 23.10 H new ATOM 0 HB3 TYR A 25 0.548 6.157 -11.263 1.00 23.10 H new ATOM 0 HD1 TYR A 25 0.374 3.540 -12.697 1.00 14.10 H new ATOM 0 HD2 TYR A 25 0.491 7.516 -14.232 1.00 22.40 H new ATOM 0 HE1 TYR A 25 1.343 2.705 -14.794 1.00 32.40 H new ATOM 0 HE2 TYR A 25 1.459 6.683 -16.326 1.00 54.30 H new ATOM 0 HH TYR A 25 2.153 4.925 -17.473 1.00 41.30 H new ATOM 340 N GLU A 26 -3.064 6.716 -10.550 1.00 64.20 N ATOM 341 CA GLU A 26 -3.772 7.427 -9.501 1.00 12.40 C ATOM 342 C GLU A 26 -4.613 6.465 -8.667 1.00 70.20 C ATOM 343 O GLU A 26 -4.415 6.339 -7.459 1.00 34.50 O ATOM 344 CB GLU A 26 -4.664 8.516 -10.090 1.00 32.50 C ATOM 345 CG GLU A 26 -5.288 9.430 -9.056 1.00 42.20 C ATOM 346 CD GLU A 26 -6.734 9.080 -8.764 1.00 72.40 C ATOM 347 OE1 GLU A 26 -6.970 8.137 -7.979 1.00 31.20 O ATOM 348 OE2 GLU A 26 -7.631 9.748 -9.320 1.00 11.30 O ATOM 0 H GLU A 26 -3.430 6.881 -11.488 1.00 64.20 H new ATOM 0 HA GLU A 26 -3.028 7.894 -8.856 1.00 12.40 H new ATOM 0 HB2 GLU A 26 -4.076 9.117 -10.783 1.00 32.50 H new ATOM 0 HB3 GLU A 26 -5.458 8.046 -10.670 1.00 32.50 H new ATOM 0 HG2 GLU A 26 -4.711 9.375 -8.133 1.00 42.20 H new ATOM 0 HG3 GLU A 26 -5.231 10.461 -9.406 1.00 42.20 H new ATOM 355 N GLU A 27 -5.553 5.789 -9.321 1.00 73.40 N ATOM 356 CA GLU A 27 -6.425 4.839 -8.640 1.00 54.20 C ATOM 357 C GLU A 27 -5.618 3.690 -8.043 1.00 63.00 C ATOM 358 O GLU A 27 -5.848 3.284 -6.904 1.00 1.11 O ATOM 359 CB GLU A 27 -7.473 4.291 -9.610 1.00 51.20 C ATOM 360 CG GLU A 27 -8.686 3.690 -8.919 1.00 62.30 C ATOM 361 CD GLU A 27 -9.797 3.342 -9.890 1.00 12.20 C ATOM 362 OE1 GLU A 27 -10.140 4.202 -10.720 1.00 11.40 O ATOM 363 OE2 GLU A 27 -10.310 2.210 -9.814 1.00 44.50 O ATOM 0 H GLU A 27 -5.730 5.882 -10.321 1.00 73.40 H new ATOM 0 HA GLU A 27 -6.930 5.364 -7.829 1.00 54.20 H new ATOM 0 HB2 GLU A 27 -7.802 5.095 -10.269 1.00 51.20 H new ATOM 0 HB3 GLU A 27 -7.011 3.531 -10.240 1.00 51.20 H new ATOM 0 HG2 GLU A 27 -8.385 2.792 -8.380 1.00 62.30 H new ATOM 0 HG3 GLU A 27 -9.064 4.395 -8.178 1.00 62.30 H new ATOM 370 N ALA A 28 -4.674 3.170 -8.820 1.00 64.10 N ATOM 371 CA ALA A 28 -3.834 2.067 -8.368 1.00 21.30 C ATOM 372 C ALA A 28 -3.077 2.435 -7.096 1.00 32.10 C ATOM 373 O ALA A 28 -2.797 1.577 -6.258 1.00 13.50 O ATOM 374 CB ALA A 28 -2.860 1.663 -9.465 1.00 41.50 C ATOM 0 H ALA A 28 -4.471 3.495 -9.766 1.00 64.10 H new ATOM 0 HA ALA A 28 -4.482 1.221 -8.140 1.00 21.30 H new ATOM 0 HB1 ALA A 28 -2.239 0.839 -9.115 1.00 41.50 H new ATOM 0 HB2 ALA A 28 -3.416 1.348 -10.348 1.00 41.50 H new ATOM 0 HB3 ALA A 28 -2.226 2.512 -9.720 1.00 41.50 H new ATOM 380 N LEU A 29 -2.749 3.715 -6.957 1.00 3.23 N ATOM 381 CA LEU A 29 -2.024 4.196 -5.787 1.00 32.10 C ATOM 382 C LEU A 29 -2.939 4.261 -4.568 1.00 51.40 C ATOM 383 O LEU A 29 -2.576 3.810 -3.482 1.00 73.40 O ATOM 384 CB LEU A 29 -1.423 5.576 -6.064 1.00 33.20 C ATOM 385 CG LEU A 29 -0.404 6.064 -5.031 1.00 35.30 C ATOM 386 CD1 LEU A 29 -1.101 6.470 -3.742 1.00 61.30 C ATOM 387 CD2 LEU A 29 0.640 4.991 -4.760 1.00 63.40 C ATOM 0 H LEU A 29 -2.974 4.438 -7.640 1.00 3.23 H new ATOM 0 HA LEU A 29 -1.218 3.493 -5.576 1.00 32.10 H new ATOM 0 HB2 LEU A 29 -0.943 5.555 -7.042 1.00 33.20 H new ATOM 0 HB3 LEU A 29 -2.234 6.302 -6.122 1.00 33.20 H new ATOM 0 HG LEU A 29 0.102 6.940 -5.437 1.00 35.30 H new ATOM 0 HD11 LEU A 29 -0.360 6.814 -3.020 1.00 61.30 H new ATOM 0 HD12 LEU A 29 -1.807 7.274 -3.948 1.00 61.30 H new ATOM 0 HD13 LEU A 29 -1.636 5.613 -3.332 1.00 61.30 H new ATOM 0 HD21 LEU A 29 1.355 5.357 -4.023 1.00 63.40 H new ATOM 0 HD22 LEU A 29 0.151 4.096 -4.377 1.00 63.40 H new ATOM 0 HD23 LEU A 29 1.163 4.751 -5.685 1.00 63.40 H new ATOM 399 N ARG A 30 -4.128 4.826 -4.756 1.00 15.40 N ATOM 400 CA ARG A 30 -5.095 4.950 -3.672 1.00 62.30 C ATOM 401 C ARG A 30 -5.466 3.580 -3.113 1.00 24.40 C ATOM 402 O ARG A 30 -5.651 3.420 -1.906 1.00 11.40 O ATOM 403 CB ARG A 30 -6.352 5.671 -4.161 1.00 51.40 C ATOM 404 CG ARG A 30 -6.060 6.958 -4.915 1.00 14.20 C ATOM 405 CD ARG A 30 -7.110 8.021 -4.632 1.00 72.30 C ATOM 406 NE ARG A 30 -6.538 9.365 -4.613 1.00 63.40 N ATOM 407 CZ ARG A 30 -7.142 10.420 -4.072 1.00 5.52 C ATOM 408 NH1 ARG A 30 -8.335 10.292 -3.505 1.00 64.40 N ATOM 409 NH2 ARG A 30 -6.552 11.607 -4.098 1.00 1.13 N ATOM 0 H ARG A 30 -4.444 5.205 -5.649 1.00 15.40 H new ATOM 0 HA ARG A 30 -4.636 5.535 -2.875 1.00 62.30 H new ATOM 0 HB2 ARG A 30 -6.917 5.000 -4.809 1.00 51.40 H new ATOM 0 HB3 ARG A 30 -6.987 5.897 -3.305 1.00 51.40 H new ATOM 0 HG2 ARG A 30 -5.076 7.332 -4.631 1.00 14.20 H new ATOM 0 HG3 ARG A 30 -6.027 6.754 -5.985 1.00 14.20 H new ATOM 0 HD2 ARG A 30 -7.891 7.970 -5.391 1.00 72.30 H new ATOM 0 HD3 ARG A 30 -7.584 7.815 -3.672 1.00 72.30 H new ATOM 0 HE ARG A 30 -5.622 9.503 -5.040 1.00 63.40 H new ATOM 0 HH11 ARG A 30 -8.794 9.381 -3.482 1.00 64.40 H new ATOM 0 HH12 ARG A 30 -8.793 11.104 -3.092 1.00 64.40 H new ATOM 0 HH21 ARG A 30 -5.635 11.711 -4.533 1.00 1.13 H new ATOM 0 HH22 ARG A 30 -7.015 12.416 -3.683 1.00 1.13 H new ATOM 423 N LEU A 31 -5.572 2.595 -3.998 1.00 54.30 N ATOM 424 CA LEU A 31 -5.921 1.238 -3.593 1.00 32.40 C ATOM 425 C LEU A 31 -4.740 0.551 -2.916 1.00 5.13 C ATOM 426 O LEU A 31 -4.918 -0.253 -2.001 1.00 33.40 O ATOM 427 CB LEU A 31 -6.373 0.422 -4.806 1.00 23.20 C ATOM 428 CG LEU A 31 -7.582 0.987 -5.553 1.00 54.10 C ATOM 429 CD1 LEU A 31 -7.513 0.629 -7.029 1.00 22.30 C ATOM 430 CD2 LEU A 31 -8.875 0.474 -4.938 1.00 74.40 C ATOM 0 H LEU A 31 -5.421 2.711 -5.000 1.00 54.30 H new ATOM 0 HA LEU A 31 -6.741 1.299 -2.878 1.00 32.40 H new ATOM 0 HB2 LEU A 31 -5.539 0.344 -5.503 1.00 23.20 H new ATOM 0 HB3 LEU A 31 -6.609 -0.590 -4.476 1.00 23.20 H new ATOM 0 HG LEU A 31 -7.566 2.073 -5.463 1.00 54.10 H new ATOM 0 HD11 LEU A 31 -8.382 1.040 -7.544 1.00 22.30 H new ATOM 0 HD12 LEU A 31 -6.604 1.046 -7.462 1.00 22.30 H new ATOM 0 HD13 LEU A 31 -7.504 -0.455 -7.140 1.00 22.30 H new ATOM 0 HD21 LEU A 31 -9.725 0.886 -5.482 1.00 74.40 H new ATOM 0 HD22 LEU A 31 -8.899 -0.614 -4.997 1.00 74.40 H new ATOM 0 HD23 LEU A 31 -8.929 0.782 -3.894 1.00 74.40 H new ATOM 442 N TYR A 32 -3.534 0.873 -3.371 1.00 51.30 N ATOM 443 CA TYR A 32 -2.322 0.287 -2.809 1.00 52.20 C ATOM 444 C TYR A 32 -2.202 0.606 -1.322 1.00 11.10 C ATOM 445 O TYR A 32 -2.051 -0.292 -0.494 1.00 21.50 O ATOM 446 CB TYR A 32 -1.089 0.800 -3.554 1.00 34.30 C ATOM 447 CG TYR A 32 -0.662 -0.087 -4.702 1.00 53.30 C ATOM 448 CD1 TYR A 32 -0.610 -1.468 -4.556 1.00 30.20 C ATOM 449 CD2 TYR A 32 -0.312 0.457 -5.932 1.00 71.40 C ATOM 450 CE1 TYR A 32 -0.220 -2.281 -5.603 1.00 42.00 C ATOM 451 CE2 TYR A 32 0.078 -0.351 -6.984 1.00 52.00 C ATOM 452 CZ TYR A 32 0.122 -1.718 -6.814 1.00 34.20 C ATOM 453 OH TYR A 32 0.510 -2.525 -7.859 1.00 61.30 O ATOM 0 H TYR A 32 -3.369 1.537 -4.128 1.00 51.30 H new ATOM 0 HA TYR A 32 -2.384 -0.795 -2.926 1.00 52.20 H new ATOM 0 HB2 TYR A 32 -1.296 1.800 -3.936 1.00 34.30 H new ATOM 0 HB3 TYR A 32 -0.262 0.892 -2.850 1.00 34.30 H new ATOM 0 HD1 TYR A 32 -0.879 -1.913 -3.609 1.00 30.20 H new ATOM 0 HD2 TYR A 32 -0.345 1.528 -6.068 1.00 71.40 H new ATOM 0 HE1 TYR A 32 -0.183 -3.353 -5.473 1.00 42.00 H new ATOM 0 HE2 TYR A 32 0.347 0.087 -7.934 1.00 52.00 H new ATOM 0 HH TYR A 32 -0.185 -2.522 -8.550 1.00 61.30 H new ATOM 463 N GLN A 33 -2.270 1.891 -0.990 1.00 35.20 N ATOM 464 CA GLN A 33 -2.168 2.329 0.398 1.00 45.10 C ATOM 465 C GLN A 33 -3.277 1.713 1.245 1.00 34.40 C ATOM 466 O GLN A 33 -3.034 1.243 2.357 1.00 31.10 O ATOM 467 CB GLN A 33 -2.235 3.856 0.479 1.00 4.14 C ATOM 468 CG GLN A 33 -0.870 4.524 0.494 1.00 51.20 C ATOM 469 CD GLN A 33 -0.001 4.100 -0.674 1.00 52.20 C ATOM 470 OE1 GLN A 33 0.344 2.926 -0.812 1.00 3.01 O ATOM 471 NE2 GLN A 33 0.360 5.057 -1.521 1.00 0.13 N ATOM 0 H GLN A 33 -2.395 2.647 -1.663 1.00 35.20 H new ATOM 0 HA GLN A 33 -1.208 1.994 0.790 1.00 45.10 H new ATOM 0 HB2 GLN A 33 -2.805 4.232 -0.370 1.00 4.14 H new ATOM 0 HB3 GLN A 33 -2.780 4.140 1.379 1.00 4.14 H new ATOM 0 HG2 GLN A 33 -0.999 5.606 0.472 1.00 51.20 H new ATOM 0 HG3 GLN A 33 -0.361 4.282 1.427 1.00 51.20 H new ATOM 0 HE21 GLN A 33 0.051 6.017 -1.368 1.00 0.13 H new ATOM 0 HE22 GLN A 33 0.946 4.832 -2.325 1.00 0.13 H new ATOM 480 N HIS A 34 -4.495 1.719 0.713 1.00 2.21 N ATOM 481 CA HIS A 34 -5.641 1.160 1.422 1.00 25.00 C ATOM 482 C HIS A 34 -5.429 -0.322 1.715 1.00 55.00 C ATOM 483 O HIS A 34 -5.813 -0.815 2.776 1.00 44.30 O ATOM 484 CB HIS A 34 -6.917 1.353 0.601 1.00 22.10 C ATOM 485 CG HIS A 34 -8.132 1.614 1.436 1.00 54.20 C ATOM 486 ND1 HIS A 34 -9.181 0.725 1.538 1.00 1.45 N ATOM 487 CD2 HIS A 34 -8.461 2.673 2.214 1.00 22.40 C ATOM 488 CE1 HIS A 34 -10.100 1.226 2.340 1.00 73.10 C ATOM 489 NE2 HIS A 34 -9.691 2.406 2.764 1.00 44.40 N ATOM 0 H HIS A 34 -4.714 2.104 -0.206 1.00 2.21 H new ATOM 0 HA HIS A 34 -5.744 1.688 2.370 1.00 25.00 H new ATOM 0 HB2 HIS A 34 -6.774 2.186 -0.088 1.00 22.10 H new ATOM 0 HB3 HIS A 34 -7.087 0.463 -0.005 1.00 22.10 H new ATOM 0 HD2 HIS A 34 -7.867 3.561 2.372 1.00 22.40 H new ATOM 0 HE1 HIS A 34 -11.032 0.750 2.605 1.00 73.10 H new ATOM 0 HE2 HIS A 34 -10.204 3.020 3.397 1.00 44.40 H new ATOM 498 N ALA A 35 -4.817 -1.026 0.769 1.00 25.30 N ATOM 499 CA ALA A 35 -4.554 -2.451 0.927 1.00 51.30 C ATOM 500 C ALA A 35 -3.452 -2.696 1.952 1.00 13.20 C ATOM 501 O ALA A 35 -3.580 -3.559 2.821 1.00 42.30 O ATOM 502 CB ALA A 35 -4.180 -3.069 -0.412 1.00 11.30 C ATOM 0 H ALA A 35 -4.494 -0.633 -0.115 1.00 25.30 H new ATOM 0 HA ALA A 35 -5.465 -2.926 1.292 1.00 51.30 H new ATOM 0 HB1 ALA A 35 -3.986 -4.133 -0.280 1.00 11.30 H new ATOM 0 HB2 ALA A 35 -5.001 -2.934 -1.117 1.00 11.30 H new ATOM 0 HB3 ALA A 35 -3.285 -2.583 -0.800 1.00 11.30 H new ATOM 508 N VAL A 36 -2.370 -1.932 1.844 1.00 74.20 N ATOM 509 CA VAL A 36 -1.246 -2.067 2.762 1.00 41.40 C ATOM 510 C VAL A 36 -1.665 -1.747 4.193 1.00 11.00 C ATOM 511 O VAL A 36 -1.261 -2.428 5.136 1.00 73.10 O ATOM 512 CB VAL A 36 -0.078 -1.144 2.361 1.00 55.30 C ATOM 513 CG1 VAL A 36 1.138 -1.409 3.235 1.00 35.20 C ATOM 514 CG2 VAL A 36 0.265 -1.322 0.890 1.00 73.20 C ATOM 0 H VAL A 36 -2.248 -1.214 1.130 1.00 74.20 H new ATOM 0 HA VAL A 36 -0.914 -3.104 2.706 1.00 41.40 H new ATOM 0 HB VAL A 36 -0.389 -0.111 2.515 1.00 55.30 H new ATOM 0 HG11 VAL A 36 1.952 -0.748 2.937 1.00 35.20 H new ATOM 0 HG12 VAL A 36 0.884 -1.223 4.278 1.00 35.20 H new ATOM 0 HG13 VAL A 36 1.452 -2.446 3.117 1.00 35.20 H new ATOM 0 HG21 VAL A 36 1.092 -0.662 0.627 1.00 73.20 H new ATOM 0 HG22 VAL A 36 0.554 -2.357 0.706 1.00 73.20 H new ATOM 0 HG23 VAL A 36 -0.605 -1.075 0.281 1.00 73.20 H new ATOM 524 N GLU A 37 -2.477 -0.707 4.348 1.00 72.20 N ATOM 525 CA GLU A 37 -2.951 -0.297 5.664 1.00 11.10 C ATOM 526 C GLU A 37 -3.741 -1.418 6.332 1.00 74.20 C ATOM 527 O GLU A 37 -3.596 -1.666 7.529 1.00 21.20 O ATOM 528 CB GLU A 37 -3.821 0.957 5.549 1.00 34.50 C ATOM 529 CG GLU A 37 -3.761 1.854 6.775 1.00 31.40 C ATOM 530 CD GLU A 37 -4.870 2.887 6.795 1.00 31.20 C ATOM 531 OE1 GLU A 37 -5.991 2.564 6.351 1.00 60.40 O ATOM 532 OE2 GLU A 37 -4.616 4.021 7.255 1.00 3.01 O ATOM 0 H GLU A 37 -2.821 -0.133 3.578 1.00 72.20 H new ATOM 0 HA GLU A 37 -2.081 -0.072 6.281 1.00 11.10 H new ATOM 0 HB2 GLU A 37 -3.507 1.528 4.675 1.00 34.50 H new ATOM 0 HB3 GLU A 37 -4.855 0.657 5.379 1.00 34.50 H new ATOM 0 HG2 GLU A 37 -3.825 1.240 7.673 1.00 31.40 H new ATOM 0 HG3 GLU A 37 -2.796 2.361 6.803 1.00 31.40 H new ATOM 539 N TYR A 38 -4.577 -2.093 5.549 1.00 55.20 N ATOM 540 CA TYR A 38 -5.390 -3.188 6.064 1.00 35.20 C ATOM 541 C TYR A 38 -4.521 -4.389 6.423 1.00 61.40 C ATOM 542 O TYR A 38 -4.807 -5.113 7.376 1.00 45.20 O ATOM 543 CB TYR A 38 -6.445 -3.597 5.034 1.00 72.40 C ATOM 544 CG TYR A 38 -7.755 -2.857 5.182 1.00 32.10 C ATOM 545 CD1 TYR A 38 -8.407 -2.799 6.408 1.00 34.40 C ATOM 546 CD2 TYR A 38 -8.340 -2.217 4.097 1.00 64.30 C ATOM 547 CE1 TYR A 38 -9.605 -2.124 6.547 1.00 0.51 C ATOM 548 CE2 TYR A 38 -9.538 -1.540 4.228 1.00 62.40 C ATOM 549 CZ TYR A 38 -10.160 -1.497 5.455 1.00 71.10 C ATOM 550 OH TYR A 38 -11.350 -0.823 5.590 1.00 14.30 O ATOM 0 H TYR A 38 -4.709 -1.901 4.556 1.00 55.20 H new ATOM 0 HA TYR A 38 -5.890 -2.841 6.968 1.00 35.20 H new ATOM 0 HB2 TYR A 38 -6.050 -3.423 4.033 1.00 72.40 H new ATOM 0 HB3 TYR A 38 -6.630 -4.668 5.122 1.00 72.40 H new ATOM 0 HD1 TYR A 38 -7.971 -3.289 7.266 1.00 34.40 H new ATOM 0 HD2 TYR A 38 -7.851 -2.249 3.135 1.00 64.30 H new ATOM 0 HE1 TYR A 38 -10.102 -2.089 7.505 1.00 0.51 H new ATOM 0 HE2 TYR A 38 -9.982 -1.049 3.375 1.00 62.40 H new ATOM 0 HH TYR A 38 -11.606 -0.435 4.727 1.00 14.30 H new ATOM 560 N PHE A 39 -3.457 -4.594 5.652 1.00 33.40 N ATOM 561 CA PHE A 39 -2.546 -5.707 5.888 1.00 51.20 C ATOM 562 C PHE A 39 -1.803 -5.531 7.209 1.00 74.30 C ATOM 563 O PHE A 39 -1.748 -6.448 8.029 1.00 1.13 O ATOM 564 CB PHE A 39 -1.544 -5.827 4.738 1.00 3.53 C ATOM 565 CG PHE A 39 -1.975 -6.784 3.664 1.00 45.20 C ATOM 566 CD1 PHE A 39 -2.375 -8.071 3.985 1.00 4.53 C ATOM 567 CD2 PHE A 39 -1.980 -6.396 2.333 1.00 12.20 C ATOM 568 CE1 PHE A 39 -2.772 -8.955 2.999 1.00 64.40 C ATOM 569 CE2 PHE A 39 -2.376 -7.275 1.343 1.00 24.10 C ATOM 570 CZ PHE A 39 -2.772 -8.556 1.676 1.00 61.30 C ATOM 0 H PHE A 39 -3.205 -4.004 4.859 1.00 33.40 H new ATOM 0 HA PHE A 39 -3.136 -6.622 5.943 1.00 51.20 H new ATOM 0 HB2 PHE A 39 -1.391 -4.842 4.296 1.00 3.53 H new ATOM 0 HB3 PHE A 39 -0.582 -6.150 5.137 1.00 3.53 H new ATOM 0 HD1 PHE A 39 -2.377 -8.387 5.018 1.00 4.53 H new ATOM 0 HD2 PHE A 39 -1.671 -5.396 2.067 1.00 12.20 H new ATOM 0 HE1 PHE A 39 -3.082 -9.956 3.262 1.00 64.40 H new ATOM 0 HE2 PHE A 39 -2.376 -6.961 0.310 1.00 24.10 H new ATOM 0 HZ PHE A 39 -3.081 -9.245 0.903 1.00 61.30 H new ATOM 580 N LEU A 40 -1.234 -4.347 7.409 1.00 11.10 N ATOM 581 CA LEU A 40 -0.495 -4.050 8.630 1.00 60.30 C ATOM 582 C LEU A 40 -1.392 -4.185 9.856 1.00 30.30 C ATOM 583 O LEU A 40 -0.931 -4.545 10.939 1.00 43.10 O ATOM 584 CB LEU A 40 0.092 -2.639 8.566 1.00 4.22 C ATOM 585 CG LEU A 40 1.068 -2.395 7.414 1.00 44.30 C ATOM 586 CD1 LEU A 40 1.638 -0.987 7.487 1.00 63.00 C ATOM 587 CD2 LEU A 40 2.186 -3.427 7.437 1.00 25.30 C ATOM 0 H LEU A 40 -1.271 -3.577 6.741 1.00 11.10 H new ATOM 0 HA LEU A 40 0.318 -4.771 8.716 1.00 60.30 H new ATOM 0 HB2 LEU A 40 -0.727 -1.925 8.485 1.00 4.22 H new ATOM 0 HB3 LEU A 40 0.604 -2.432 9.506 1.00 4.22 H new ATOM 0 HG LEU A 40 0.525 -2.496 6.474 1.00 44.30 H new ATOM 0 HD11 LEU A 40 2.330 -0.831 6.660 1.00 63.00 H new ATOM 0 HD12 LEU A 40 0.827 -0.262 7.422 1.00 63.00 H new ATOM 0 HD13 LEU A 40 2.166 -0.857 8.431 1.00 63.00 H new ATOM 0 HD21 LEU A 40 2.872 -3.239 6.611 1.00 25.30 H new ATOM 0 HD22 LEU A 40 2.727 -3.356 8.381 1.00 25.30 H new ATOM 0 HD23 LEU A 40 1.761 -4.426 7.336 1.00 25.30 H new ATOM 599 N HIS A 41 -2.677 -3.893 9.678 1.00 15.50 N ATOM 600 CA HIS A 41 -3.639 -3.982 10.770 1.00 43.40 C ATOM 601 C HIS A 41 -3.909 -5.437 11.141 1.00 63.10 C ATOM 602 O HIS A 41 -4.185 -5.751 12.298 1.00 44.40 O ATOM 603 CB HIS A 41 -4.948 -3.292 10.381 1.00 74.00 C ATOM 604 CG HIS A 41 -4.961 -1.824 10.674 1.00 21.10 C ATOM 605 ND1 HIS A 41 -4.043 -0.942 10.143 1.00 21.20 N ATOM 606 CD2 HIS A 41 -5.788 -1.082 11.448 1.00 64.30 C ATOM 607 CE1 HIS A 41 -4.304 0.278 10.578 1.00 44.40 C ATOM 608 NE2 HIS A 41 -5.358 0.220 11.370 1.00 60.20 N ATOM 0 H HIS A 41 -3.075 -3.593 8.788 1.00 15.50 H new ATOM 0 HA HIS A 41 -3.213 -3.478 11.638 1.00 43.40 H new ATOM 0 HB2 HIS A 41 -5.126 -3.443 9.316 1.00 74.00 H new ATOM 0 HB3 HIS A 41 -5.772 -3.768 10.913 1.00 74.00 H new ATOM 0 HD1 HIS A 41 -3.281 -1.193 9.513 1.00 21.20 H new ATOM 0 HD2 HIS A 41 -6.629 -1.446 12.020 1.00 64.30 H new ATOM 0 HE1 HIS A 41 -3.749 1.170 10.328 1.00 44.40 H new ATOM 617 N ALA A 42 -3.826 -6.320 10.151 1.00 1.52 N ATOM 618 CA ALA A 42 -4.061 -7.741 10.374 1.00 1.11 C ATOM 619 C ALA A 42 -2.894 -8.381 11.117 1.00 63.40 C ATOM 620 O ALA A 42 -3.075 -9.335 11.874 1.00 72.40 O ATOM 621 CB ALA A 42 -4.298 -8.450 9.049 1.00 2.13 C ATOM 0 H ALA A 42 -3.598 -6.076 9.187 1.00 1.52 H new ATOM 0 HA ALA A 42 -4.952 -7.844 10.994 1.00 1.11 H new ATOM 0 HB1 ALA A 42 -4.472 -9.511 9.230 1.00 2.13 H new ATOM 0 HB2 ALA A 42 -5.169 -8.018 8.556 1.00 2.13 H new ATOM 0 HB3 ALA A 42 -3.423 -8.330 8.410 1.00 2.13 H new ATOM 627 N ILE A 43 -1.695 -7.851 10.895 1.00 62.40 N ATOM 628 CA ILE A 43 -0.498 -8.372 11.544 1.00 3.41 C ATOM 629 C ILE A 43 -0.427 -7.930 13.002 1.00 32.50 C ATOM 630 O ILE A 43 -0.215 -8.746 13.899 1.00 42.00 O ATOM 631 CB ILE A 43 0.780 -7.912 10.817 1.00 53.40 C ATOM 632 CG1 ILE A 43 0.662 -8.174 9.315 1.00 50.10 C ATOM 633 CG2 ILE A 43 1.999 -8.620 11.390 1.00 72.20 C ATOM 634 CD1 ILE A 43 1.658 -7.394 8.485 1.00 62.10 C ATOM 0 H ILE A 43 -1.527 -7.062 10.271 1.00 62.40 H new ATOM 0 HA ILE A 43 -0.561 -9.459 11.499 1.00 3.41 H new ATOM 0 HB ILE A 43 0.901 -6.840 10.970 1.00 53.40 H new ATOM 0 HG12 ILE A 43 0.801 -9.239 9.128 1.00 50.10 H new ATOM 0 HG13 ILE A 43 -0.347 -7.922 8.989 1.00 50.10 H new ATOM 0 HG21 ILE A 43 2.894 -8.285 10.866 1.00 72.20 H new ATOM 0 HG22 ILE A 43 2.090 -8.386 12.451 1.00 72.20 H new ATOM 0 HG23 ILE A 43 1.887 -9.697 11.264 1.00 72.20 H new ATOM 0 HD11 ILE A 43 1.516 -7.629 7.430 1.00 62.10 H new ATOM 0 HD12 ILE A 43 1.505 -6.326 8.642 1.00 62.10 H new ATOM 0 HD13 ILE A 43 2.671 -7.664 8.784 1.00 62.10 H new ATOM 646 N LYS A 44 -0.605 -6.633 13.231 1.00 3.51 N ATOM 647 CA LYS A 44 -0.561 -6.082 14.581 1.00 70.10 C ATOM 648 C LYS A 44 -1.635 -6.713 15.461 1.00 23.40 C ATOM 649 O LYS A 44 -1.387 -7.039 16.622 1.00 33.30 O ATOM 650 CB LYS A 44 -0.746 -4.564 14.541 1.00 15.30 C ATOM 651 CG LYS A 44 -2.103 -4.130 14.011 1.00 61.20 C ATOM 652 CD LYS A 44 -2.222 -2.615 13.961 1.00 45.40 C ATOM 653 CE LYS A 44 -1.190 -2.006 13.026 1.00 34.30 C ATOM 654 NZ LYS A 44 0.063 -1.642 13.744 1.00 64.30 N ATOM 0 H LYS A 44 -0.781 -5.944 12.500 1.00 3.51 H new ATOM 0 HA LYS A 44 0.415 -6.311 15.008 1.00 70.10 H new ATOM 0 HB2 LYS A 44 -0.613 -4.164 15.546 1.00 15.30 H new ATOM 0 HB3 LYS A 44 0.035 -4.128 13.918 1.00 15.30 H new ATOM 0 HG2 LYS A 44 -2.254 -4.541 13.013 1.00 61.20 H new ATOM 0 HG3 LYS A 44 -2.890 -4.537 14.646 1.00 61.20 H new ATOM 0 HD2 LYS A 44 -3.223 -2.338 13.630 1.00 45.40 H new ATOM 0 HD3 LYS A 44 -2.093 -2.206 14.963 1.00 45.40 H new ATOM 0 HE2 LYS A 44 -0.960 -2.713 12.229 1.00 34.30 H new ATOM 0 HE3 LYS A 44 -1.608 -1.118 12.553 1.00 34.30 H new ATOM 0 HZ1 LYS A 44 0.172 -0.608 13.750 1.00 64.30 H new ATOM 0 HZ2 LYS A 44 0.016 -1.991 14.723 1.00 64.30 H new ATOM 0 HZ3 LYS A 44 0.877 -2.073 13.262 1.00 64.30 H new ATOM 668 N TYR A 45 -2.828 -6.884 14.901 1.00 35.10 N ATOM 669 CA TYR A 45 -3.939 -7.476 15.636 1.00 23.40 C ATOM 670 C TYR A 45 -3.718 -8.971 15.844 1.00 50.40 C ATOM 671 O TYR A 45 -3.408 -9.415 16.950 1.00 44.10 O ATOM 672 CB TYR A 45 -5.254 -7.242 14.890 1.00 14.30 C ATOM 673 CG TYR A 45 -5.990 -5.998 15.335 1.00 41.10 C ATOM 674 CD1 TYR A 45 -5.626 -4.745 14.861 1.00 75.30 C ATOM 675 CD2 TYR A 45 -7.050 -6.079 16.231 1.00 31.00 C ATOM 676 CE1 TYR A 45 -6.296 -3.606 15.266 1.00 11.50 C ATOM 677 CE2 TYR A 45 -7.725 -4.945 16.640 1.00 61.40 C ATOM 678 CZ TYR A 45 -7.345 -3.711 16.155 1.00 51.10 C ATOM 679 OH TYR A 45 -8.015 -2.580 16.561 1.00 42.20 O ATOM 0 H TYR A 45 -3.050 -6.621 13.941 1.00 35.10 H new ATOM 0 HA TYR A 45 -3.993 -6.995 16.613 1.00 23.40 H new ATOM 0 HB2 TYR A 45 -5.048 -7.170 13.822 1.00 14.30 H new ATOM 0 HB3 TYR A 45 -5.901 -8.107 15.032 1.00 14.30 H new ATOM 0 HD1 TYR A 45 -4.805 -4.659 14.164 1.00 75.30 H new ATOM 0 HD2 TYR A 45 -7.350 -7.043 16.613 1.00 31.00 H new ATOM 0 HE1 TYR A 45 -6.000 -2.639 14.888 1.00 11.50 H new ATOM 0 HE2 TYR A 45 -8.547 -5.024 17.336 1.00 61.40 H new ATOM 0 HH TYR A 45 -8.727 -2.829 17.187 1.00 42.20 H new ATOM 689 N GLU A 46 -3.880 -9.743 14.774 1.00 34.30 N ATOM 690 CA GLU A 46 -3.698 -11.180 14.840 1.00 31.40 C ATOM 691 C GLU A 46 -2.834 -11.680 13.684 1.00 33.00 C ATOM 692 O GLU A 46 -3.281 -11.720 12.538 1.00 64.10 O ATOM 693 CB GLU A 46 -5.054 -11.890 14.816 1.00 44.30 C ATOM 694 CG GLU A 46 -5.830 -11.760 16.117 1.00 51.40 C ATOM 695 CD GLU A 46 -7.252 -12.270 16.000 1.00 51.50 C ATOM 696 OE1 GLU A 46 -7.949 -11.880 15.042 1.00 32.10 O ATOM 697 OE2 GLU A 46 -7.669 -13.070 16.866 1.00 31.10 O ATOM 0 H GLU A 46 -4.137 -9.392 13.852 1.00 34.30 H new ATOM 0 HA GLU A 46 -3.188 -11.409 15.776 1.00 31.40 H new ATOM 0 HB2 GLU A 46 -5.654 -11.483 14.002 1.00 44.30 H new ATOM 0 HB3 GLU A 46 -4.898 -12.947 14.599 1.00 44.30 H new ATOM 0 HG2 GLU A 46 -5.313 -12.313 16.901 1.00 51.40 H new ATOM 0 HG3 GLU A 46 -5.847 -10.714 16.423 1.00 51.40 H new ATOM 704 N ALA A 47 -1.594 -12.040 13.992 1.00 75.10 N ATOM 705 CA ALA A 47 -0.668 -12.530 12.979 1.00 12.20 C ATOM 706 C ALA A 47 -0.645 -14.060 12.948 1.00 22.40 C ATOM 707 O ALA A 47 -1.364 -14.710 13.701 1.00 52.30 O ATOM 708 CB ALA A 47 0.729 -11.990 13.234 1.00 41.30 C ATOM 0 H ALA A 47 -1.207 -12.002 14.935 1.00 75.10 H new ATOM 0 HA ALA A 47 -1.013 -12.175 12.008 1.00 12.20 H new ATOM 0 HB1 ALA A 47 1.409 -12.365 12.469 1.00 41.30 H new ATOM 0 HB2 ALA A 47 0.710 -10.901 13.200 1.00 41.30 H new ATOM 0 HB3 ALA A 47 1.072 -12.317 14.216 1.00 41.30 H new ATOM 714 N HIS A 48 0.185 -14.610 12.072 1.00 1.01 N ATOM 715 CA HIS A 48 0.302 -16.060 11.943 1.00 4.10 C ATOM 716 C HIS A 48 1.553 -16.570 12.650 1.00 61.50 C ATOM 717 O HIS A 48 1.465 -17.280 13.651 1.00 10.30 O ATOM 718 CB HIS A 48 0.338 -16.460 10.467 1.00 75.40 C ATOM 719 CG HIS A 48 -0.373 -17.750 10.178 1.00 71.20 C ATOM 720 ND1 HIS A 48 -1.740 -17.890 10.290 1.00 63.10 N ATOM 721 CD2 HIS A 48 0.100 -18.950 9.778 1.00 15.50 C ATOM 722 CE1 HIS A 48 -2.076 -19.130 9.973 1.00 44.10 C ATOM 723 NE2 HIS A 48 -0.978 -19.790 9.658 1.00 3.33 N ATOM 0 H HIS A 48 0.786 -14.079 11.442 1.00 1.01 H new ATOM 0 HA HIS A 48 -0.570 -16.513 12.414 1.00 4.10 H new ATOM 0 HB2 HIS A 48 -0.112 -15.665 9.872 1.00 75.40 H new ATOM 0 HB3 HIS A 48 1.377 -16.547 10.148 1.00 75.40 H new ATOM 0 HD2 HIS A 48 1.133 -19.201 9.588 1.00 15.50 H new ATOM 0 HE1 HIS A 48 -3.078 -19.533 9.972 1.00 44.10 H new ATOM 0 HE2 HIS A 48 -0.937 -20.768 9.371 1.00 3.33 H new ATOM 732 N SER A 49 2.716 -16.200 12.123 1.00 34.40 N ATOM 733 CA SER A 49 3.986 -16.630 12.705 1.00 52.00 C ATOM 734 C SER A 49 5.132 -15.760 12.195 1.00 53.50 C ATOM 735 O SER A 49 4.924 -14.840 11.401 1.00 31.50 O ATOM 736 CB SER A 49 4.258 -18.100 12.377 1.00 0.35 C ATOM 737 OG SER A 49 3.087 -18.880 12.531 1.00 32.00 O ATOM 0 H SER A 49 2.807 -15.607 11.298 1.00 34.40 H new ATOM 0 HA SER A 49 3.918 -16.520 13.787 1.00 52.00 H new ATOM 0 HB2 SER A 49 4.624 -18.186 11.354 1.00 0.35 H new ATOM 0 HB3 SER A 49 5.042 -18.483 13.030 1.00 0.35 H new ATOM 0 HG SER A 49 2.540 -18.510 13.255 1.00 32.00 H new ATOM 743 N ASP A 50 6.342 -16.050 12.657 1.00 32.20 N ATOM 744 CA ASP A 50 7.522 -15.300 12.248 1.00 1.12 C ATOM 745 C ASP A 50 7.731 -15.390 10.740 1.00 72.30 C ATOM 746 O ASP A 50 7.914 -14.380 10.066 1.00 61.40 O ATOM 747 CB ASP A 50 8.762 -15.820 12.979 1.00 22.40 C ATOM 748 CG ASP A 50 8.684 -15.600 14.477 1.00 61.00 C ATOM 749 OD1 ASP A 50 7.805 -16.210 15.122 1.00 55.40 O ATOM 750 OD2 ASP A 50 9.502 -14.820 15.006 1.00 43.50 O ATOM 0 H ASP A 50 6.532 -16.803 13.318 1.00 32.20 H new ATOM 0 HA ASP A 50 7.365 -14.254 12.512 1.00 1.12 H new ATOM 0 HB2 ASP A 50 8.880 -16.884 12.776 1.00 22.40 H new ATOM 0 HB3 ASP A 50 9.648 -15.321 12.587 1.00 22.40 H new ATOM 755 N LYS A 51 7.701 -16.620 10.218 1.00 10.10 N ATOM 756 CA LYS A 51 7.887 -16.840 8.789 1.00 13.40 C ATOM 757 C LYS A 51 6.807 -16.130 7.981 1.00 63.50 C ATOM 758 O LYS A 51 7.092 -15.500 6.961 1.00 31.10 O ATOM 759 CB LYS A 51 7.868 -18.340 8.480 1.00 45.40 C ATOM 760 CG LYS A 51 8.638 -18.710 7.224 1.00 51.40 C ATOM 761 CD LYS A 51 7.762 -18.610 5.985 1.00 24.10 C ATOM 762 CE LYS A 51 6.990 -19.900 5.748 1.00 2.22 C ATOM 763 NZ LYS A 51 5.773 -19.670 4.919 1.00 2.22 N ATOM 0 H LYS A 51 7.551 -17.469 10.762 1.00 10.10 H new ATOM 0 HA LYS A 51 8.855 -16.426 8.506 1.00 13.40 H new ATOM 0 HB2 LYS A 51 8.288 -18.883 9.327 1.00 45.40 H new ATOM 0 HB3 LYS A 51 6.834 -18.668 8.372 1.00 45.40 H new ATOM 0 HG2 LYS A 51 9.499 -18.051 7.116 1.00 51.40 H new ATOM 0 HG3 LYS A 51 9.023 -19.725 7.318 1.00 51.40 H new ATOM 0 HD2 LYS A 51 7.063 -17.781 6.097 1.00 24.10 H new ATOM 0 HD3 LYS A 51 8.382 -18.390 5.116 1.00 24.10 H new ATOM 0 HE2 LYS A 51 7.636 -20.625 5.253 1.00 2.22 H new ATOM 0 HE3 LYS A 51 6.701 -20.333 6.706 1.00 2.22 H new ATOM 0 HZ1 LYS A 51 5.273 -20.571 4.779 1.00 2.22 H new ATOM 0 HZ2 LYS A 51 5.145 -18.997 5.403 1.00 2.22 H new ATOM 0 HZ3 LYS A 51 6.051 -19.281 3.995 1.00 2.22 H new ATOM 777 N ALA A 52 5.565 -16.230 8.445 1.00 74.10 N ATOM 778 CA ALA A 52 4.442 -15.600 7.766 1.00 71.40 C ATOM 779 C ALA A 52 4.553 -14.080 7.822 1.00 74.40 C ATOM 780 O ALA A 52 4.238 -13.390 6.854 1.00 25.00 O ATOM 781 CB ALA A 52 3.128 -16.050 8.381 1.00 74.20 C ATOM 0 H ALA A 52 5.313 -16.743 9.290 1.00 74.10 H new ATOM 0 HA ALA A 52 4.466 -15.908 6.721 1.00 71.40 H new ATOM 0 HB1 ALA A 52 2.299 -15.569 7.861 1.00 74.20 H new ATOM 0 HB2 ALA A 52 3.035 -17.132 8.289 1.00 74.20 H new ATOM 0 HB3 ALA A 52 3.105 -15.772 9.435 1.00 74.20 H new ATOM 787 N LYS A 53 5.005 -13.560 8.962 1.00 64.10 N ATOM 788 CA LYS A 53 5.158 -12.130 9.144 1.00 64.40 C ATOM 789 C LYS A 53 6.137 -11.550 8.126 1.00 73.30 C ATOM 790 O LYS A 53 6.005 -10.400 7.704 1.00 15.00 O ATOM 791 CB LYS A 53 5.640 -11.820 10.563 1.00 51.40 C ATOM 792 CG LYS A 53 4.510 -11.620 11.561 1.00 22.10 C ATOM 793 CD LYS A 53 4.881 -10.610 12.633 1.00 42.40 C ATOM 794 CE LYS A 53 5.613 -11.270 13.791 1.00 4.32 C ATOM 795 NZ LYS A 53 6.612 -10.360 14.409 1.00 13.10 N ATOM 0 H LYS A 53 5.271 -14.117 9.774 1.00 64.10 H new ATOM 0 HA LYS A 53 4.183 -11.667 8.989 1.00 64.40 H new ATOM 0 HB2 LYS A 53 6.277 -12.635 10.907 1.00 51.40 H new ATOM 0 HB3 LYS A 53 6.256 -10.921 10.540 1.00 51.40 H new ATOM 0 HG2 LYS A 53 3.616 -11.282 11.036 1.00 22.10 H new ATOM 0 HG3 LYS A 53 4.264 -12.573 12.028 1.00 22.10 H new ATOM 0 HD2 LYS A 53 5.510 -9.832 12.200 1.00 42.40 H new ATOM 0 HD3 LYS A 53 3.979 -10.122 13.002 1.00 42.40 H new ATOM 0 HE2 LYS A 53 4.891 -11.582 14.546 1.00 4.32 H new ATOM 0 HE3 LYS A 53 6.114 -12.171 13.437 1.00 4.32 H new ATOM 0 HZ1 LYS A 53 7.088 -10.849 15.194 1.00 13.10 H new ATOM 0 HZ2 LYS A 53 7.316 -10.082 13.696 1.00 13.10 H new ATOM 0 HZ3 LYS A 53 6.132 -9.511 14.770 1.00 13.10 H new ATOM 809 N GLU A 54 7.120 -12.350 7.737 1.00 40.20 N ATOM 810 CA GLU A 54 8.122 -11.920 6.769 1.00 43.20 C ATOM 811 C GLU A 54 7.547 -11.920 5.356 1.00 13.30 C ATOM 812 O GLU A 54 7.768 -10.990 4.586 1.00 74.20 O ATOM 813 CB GLU A 54 9.348 -12.840 6.832 1.00 40.00 C ATOM 814 CG GLU A 54 10.289 -12.510 7.981 1.00 1.14 C ATOM 815 CD GLU A 54 11.749 -12.600 7.582 1.00 35.30 C ATOM 816 OE1 GLU A 54 12.100 -13.530 6.825 1.00 2.32 O ATOM 817 OE2 GLU A 54 12.540 -11.750 8.026 1.00 3.33 O ATOM 0 H GLU A 54 7.246 -13.303 8.077 1.00 40.20 H new ATOM 0 HA GLU A 54 8.423 -10.903 7.021 1.00 43.20 H new ATOM 0 HB2 GLU A 54 9.014 -13.873 6.930 1.00 40.00 H new ATOM 0 HB3 GLU A 54 9.895 -12.770 5.892 1.00 40.00 H new ATOM 0 HG2 GLU A 54 10.076 -11.504 8.343 1.00 1.14 H new ATOM 0 HG3 GLU A 54 10.099 -13.193 8.809 1.00 1.14 H new ATOM 824 N SER A 55 6.809 -12.980 5.021 1.00 50.10 N ATOM 825 CA SER A 55 6.203 -13.100 3.701 1.00 21.40 C ATOM 826 C SER A 55 5.211 -11.960 3.453 1.00 24.10 C ATOM 827 O SER A 55 5.276 -11.280 2.431 1.00 10.30 O ATOM 828 CB SER A 55 5.498 -14.450 3.561 1.00 45.20 C ATOM 829 OG SER A 55 6.430 -15.490 3.314 1.00 23.20 O ATOM 0 H SER A 55 6.619 -13.763 5.646 1.00 50.10 H new ATOM 0 HA SER A 55 6.995 -13.036 2.955 1.00 21.40 H new ATOM 0 HB2 SER A 55 4.938 -14.668 4.471 1.00 45.20 H new ATOM 0 HB3 SER A 55 4.776 -14.404 2.746 1.00 45.20 H new ATOM 0 HG SER A 55 5.954 -16.343 3.230 1.00 23.20 H new ATOM 835 N ILE A 56 4.293 -11.770 4.395 1.00 5.11 N ATOM 836 CA ILE A 56 3.288 -10.720 4.278 1.00 50.30 C ATOM 837 C ILE A 56 3.939 -9.348 4.225 1.00 43.30 C ATOM 838 O ILE A 56 3.570 -8.507 3.405 1.00 74.10 O ATOM 839 CB ILE A 56 2.292 -10.760 5.454 1.00 35.40 C ATOM 840 CG1 ILE A 56 1.729 -12.180 5.628 1.00 0.42 C ATOM 841 CG2 ILE A 56 1.166 -9.768 5.232 1.00 12.40 C ATOM 842 CD1 ILE A 56 1.614 -12.610 7.074 1.00 24.40 C ATOM 0 H ILE A 56 4.224 -12.328 5.246 1.00 5.11 H new ATOM 0 HA ILE A 56 2.746 -10.900 3.350 1.00 50.30 H new ATOM 0 HB ILE A 56 2.821 -10.481 6.365 1.00 35.40 H new ATOM 0 HG12 ILE A 56 0.745 -12.232 5.162 1.00 0.42 H new ATOM 0 HG13 ILE A 56 2.370 -12.884 5.098 1.00 0.42 H new ATOM 0 HG21 ILE A 56 0.473 -9.810 6.072 1.00 12.40 H new ATOM 0 HG22 ILE A 56 1.578 -8.762 5.152 1.00 12.40 H new ATOM 0 HG23 ILE A 56 0.637 -10.018 4.312 1.00 12.40 H new ATOM 0 HD11 ILE A 56 1.210 -13.621 7.122 1.00 24.40 H new ATOM 0 HD12 ILE A 56 2.600 -12.591 7.539 1.00 24.40 H new ATOM 0 HD13 ILE A 56 0.949 -11.928 7.605 1.00 24.40 H new ATOM 854 N ARG A 57 4.910 -9.123 5.105 1.00 1.24 N ATOM 855 CA ARG A 57 5.612 -7.846 5.157 1.00 72.50 C ATOM 856 C ARG A 57 6.349 -7.578 3.850 1.00 54.40 C ATOM 857 O ARG A 57 6.315 -6.465 3.324 1.00 42.30 O ATOM 858 CB ARG A 57 6.599 -7.831 6.326 1.00 15.50 C ATOM 859 CG ARG A 57 7.359 -6.522 6.464 1.00 54.00 C ATOM 860 CD ARG A 57 8.538 -6.660 7.413 1.00 65.20 C ATOM 861 NE ARG A 57 9.677 -7.320 6.779 1.00 0.04 N ATOM 862 CZ ARG A 57 10.465 -6.737 5.879 1.00 75.00 C ATOM 863 NH1 ARG A 57 10.242 -5.483 5.505 1.00 64.40 N ATOM 864 NH2 ARG A 57 11.479 -7.409 5.352 1.00 45.00 N ATOM 0 H ARG A 57 5.228 -9.808 5.791 1.00 1.24 H new ATOM 0 HA ARG A 57 4.873 -7.058 5.304 1.00 72.50 H new ATOM 0 HB2 ARG A 57 6.057 -8.026 7.251 1.00 15.50 H new ATOM 0 HB3 ARG A 57 7.313 -8.644 6.198 1.00 15.50 H new ATOM 0 HG2 ARG A 57 7.714 -6.201 5.485 1.00 54.00 H new ATOM 0 HG3 ARG A 57 6.686 -5.746 6.829 1.00 54.00 H new ATOM 0 HD2 ARG A 57 8.840 -5.673 7.762 1.00 65.20 H new ATOM 0 HD3 ARG A 57 8.232 -7.229 8.291 1.00 65.20 H new ATOM 0 HE ARG A 57 9.880 -8.284 7.042 1.00 0.04 H new ATOM 0 HH11 ARG A 57 9.464 -4.961 5.908 1.00 64.40 H new ATOM 0 HH12 ARG A 57 10.849 -5.041 4.815 1.00 64.40 H new ATOM 0 HH21 ARG A 57 11.655 -8.373 5.636 1.00 45.00 H new ATOM 0 HH22 ARG A 57 12.083 -6.962 4.662 1.00 45.00 H new ATOM 878 N ALA A 58 7.015 -8.604 3.329 1.00 44.20 N ATOM 879 CA ALA A 58 7.759 -8.478 2.081 1.00 34.50 C ATOM 880 C ALA A 58 6.852 -8.005 0.950 1.00 21.30 C ATOM 881 O ALA A 58 7.287 -7.284 0.052 1.00 53.20 O ATOM 882 CB ALA A 58 8.411 -9.804 1.719 1.00 61.00 C ATOM 0 H ALA A 58 7.055 -9.531 3.752 1.00 44.20 H new ATOM 0 HA ALA A 58 8.539 -7.731 2.224 1.00 34.50 H new ATOM 0 HB1 ALA A 58 8.963 -9.695 0.785 1.00 61.00 H new ATOM 0 HB2 ALA A 58 9.096 -10.101 2.513 1.00 61.00 H new ATOM 0 HB3 ALA A 58 7.642 -10.567 1.599 1.00 61.00 H new ATOM 888 N LYS A 59 5.588 -8.413 1.004 1.00 13.20 N ATOM 889 CA LYS A 59 4.618 -8.028 -0.013 1.00 71.20 C ATOM 890 C LYS A 59 4.212 -6.568 0.153 1.00 50.40 C ATOM 891 O LYS A 59 3.900 -5.885 -0.823 1.00 23.20 O ATOM 892 CB LYS A 59 3.382 -8.926 0.065 1.00 35.30 C ATOM 893 CG LYS A 59 2.774 -9.245 -1.291 1.00 52.40 C ATOM 894 CD LYS A 59 3.598 -10.270 -2.041 1.00 74.10 C ATOM 895 CE LYS A 59 2.721 -11.160 -2.912 1.00 72.10 C ATOM 896 NZ LYS A 59 3.329 -12.500 -3.129 1.00 73.20 N ATOM 0 H LYS A 59 5.212 -9.010 1.741 1.00 13.20 H new ATOM 0 HA LYS A 59 5.084 -8.149 -0.991 1.00 71.20 H new ATOM 0 HB2 LYS A 59 3.652 -9.858 0.561 1.00 35.30 H new ATOM 0 HB3 LYS A 59 2.629 -8.440 0.686 1.00 35.30 H new ATOM 0 HG2 LYS A 59 1.759 -9.620 -1.157 1.00 52.40 H new ATOM 0 HG3 LYS A 59 2.701 -8.332 -1.882 1.00 52.40 H new ATOM 0 HD2 LYS A 59 4.335 -9.762 -2.663 1.00 74.10 H new ATOM 0 HD3 LYS A 59 4.151 -10.885 -1.331 1.00 74.10 H new ATOM 0 HE2 LYS A 59 1.744 -11.277 -2.443 1.00 72.10 H new ATOM 0 HE3 LYS A 59 2.557 -10.676 -3.875 1.00 72.10 H new ATOM 0 HZ1 LYS A 59 2.700 -13.074 -3.726 1.00 73.20 H new ATOM 0 HZ2 LYS A 59 4.250 -12.391 -3.600 1.00 73.20 H new ATOM 0 HZ3 LYS A 59 3.463 -12.973 -2.213 1.00 73.20 H new ATOM 910 N CYS A 60 4.220 -6.094 1.395 1.00 63.00 N ATOM 911 CA CYS A 60 3.855 -4.714 1.688 1.00 33.10 C ATOM 912 C CYS A 60 4.965 -3.758 1.265 1.00 41.40 C ATOM 913 O CYS A 60 4.701 -2.642 0.819 1.00 64.30 O ATOM 914 CB CYS A 60 3.564 -4.547 3.181 1.00 41.10 C ATOM 915 SG CYS A 60 2.489 -5.827 3.871 1.00 72.40 S ATOM 0 H CYS A 60 4.475 -6.646 2.214 1.00 63.00 H new ATOM 0 HA CYS A 60 2.956 -4.473 1.121 1.00 33.10 H new ATOM 0 HB2 CYS A 60 4.508 -4.547 3.726 1.00 41.10 H new ATOM 0 HB3 CYS A 60 3.102 -3.573 3.344 1.00 41.10 H new ATOM 0 HG CYS A 60 2.834 -6.986 3.395 1.00 72.40 H new ATOM 921 N VAL A 61 6.209 -4.206 1.406 1.00 63.00 N ATOM 922 CA VAL A 61 7.360 -3.392 1.037 1.00 74.50 C ATOM 923 C VAL A 61 7.407 -3.160 -0.469 1.00 23.20 C ATOM 924 O VAL A 61 7.678 -2.051 -0.928 1.00 14.00 O ATOM 925 CB VAL A 61 8.680 -4.048 1.485 1.00 31.40 C ATOM 926 CG1 VAL A 61 9.849 -3.099 1.270 1.00 32.30 C ATOM 927 CG2 VAL A 61 8.594 -4.481 2.941 1.00 64.30 C ATOM 0 H VAL A 61 6.445 -5.128 1.773 1.00 63.00 H new ATOM 0 HA VAL A 61 7.248 -2.435 1.547 1.00 74.50 H new ATOM 0 HB VAL A 61 8.848 -4.936 0.876 1.00 31.40 H new ATOM 0 HG11 VAL A 61 10.772 -3.580 1.592 1.00 32.30 H new ATOM 0 HG12 VAL A 61 9.922 -2.845 0.212 1.00 32.30 H new ATOM 0 HG13 VAL A 61 9.692 -2.190 1.851 1.00 32.30 H new ATOM 0 HG21 VAL A 61 9.535 -4.942 3.240 1.00 64.30 H new ATOM 0 HG22 VAL A 61 8.401 -3.611 3.569 1.00 64.30 H new ATOM 0 HG23 VAL A 61 7.784 -5.201 3.059 1.00 64.30 H new ATOM 937 N GLN A 62 7.139 -4.214 -1.232 1.00 60.00 N ATOM 938 CA GLN A 62 7.149 -4.126 -2.688 1.00 14.20 C ATOM 939 C GLN A 62 6.025 -3.222 -3.185 1.00 74.10 C ATOM 940 O GLN A 62 6.184 -2.502 -4.170 1.00 64.50 O ATOM 941 CB GLN A 62 7.010 -5.520 -3.304 1.00 34.20 C ATOM 942 CG GLN A 62 8.342 -6.188 -3.603 1.00 1.30 C ATOM 943 CD GLN A 62 8.966 -6.817 -2.373 1.00 44.20 C ATOM 944 OE1 GLN A 62 9.069 -6.184 -1.322 1.00 40.20 O ATOM 945 NE2 GLN A 62 9.389 -8.070 -2.498 1.00 11.40 N ATOM 0 H GLN A 62 6.912 -5.139 -0.867 1.00 60.00 H new ATOM 0 HA GLN A 62 8.101 -3.694 -2.996 1.00 14.20 H new ATOM 0 HB2 GLN A 62 6.440 -6.153 -2.624 1.00 34.20 H new ATOM 0 HB3 GLN A 62 6.435 -5.445 -4.227 1.00 34.20 H new ATOM 0 HG2 GLN A 62 8.198 -6.954 -4.365 1.00 1.30 H new ATOM 0 HG3 GLN A 62 9.029 -5.451 -4.018 1.00 1.30 H new ATOM 0 HE21 GLN A 62 9.284 -8.557 -3.388 1.00 11.40 H new ATOM 0 HE22 GLN A 62 9.819 -8.545 -1.704 1.00 11.40 H new ATOM 954 N TYR A 63 4.890 -3.265 -2.495 1.00 44.40 N ATOM 955 CA TYR A 63 3.739 -2.449 -2.866 1.00 23.50 C ATOM 956 C TYR A 63 4.031 -0.967 -2.649 1.00 33.10 C ATOM 957 O TYR A 63 3.532 -0.112 -3.380 1.00 1.13 O ATOM 958 CB TYR A 63 2.511 -2.863 -2.054 1.00 41.30 C ATOM 959 CG TYR A 63 1.823 -4.101 -2.584 1.00 41.20 C ATOM 960 CD1 TYR A 63 1.574 -4.253 -3.942 1.00 52.20 C ATOM 961 CD2 TYR A 63 1.423 -5.117 -1.725 1.00 25.10 C ATOM 962 CE1 TYR A 63 0.946 -5.383 -4.430 1.00 42.30 C ATOM 963 CE2 TYR A 63 0.795 -6.251 -2.205 1.00 73.20 C ATOM 964 CZ TYR A 63 0.559 -6.379 -3.558 1.00 2.13 C ATOM 965 OH TYR A 63 -0.067 -7.505 -4.040 1.00 72.40 O ATOM 0 H TYR A 63 4.742 -3.856 -1.677 1.00 44.40 H new ATOM 0 HA TYR A 63 3.537 -2.610 -3.925 1.00 23.50 H new ATOM 0 HB2 TYR A 63 2.811 -3.039 -1.021 1.00 41.30 H new ATOM 0 HB3 TYR A 63 1.798 -2.038 -2.043 1.00 41.30 H new ATOM 0 HD1 TYR A 63 1.876 -3.475 -4.628 1.00 52.20 H new ATOM 0 HD2 TYR A 63 1.606 -5.019 -0.665 1.00 25.10 H new ATOM 0 HE1 TYR A 63 0.759 -5.486 -5.489 1.00 42.30 H new ATOM 0 HE2 TYR A 63 0.491 -7.032 -1.524 1.00 73.20 H new ATOM 0 HH TYR A 63 -0.401 -8.040 -3.290 1.00 72.40 H new ATOM 975 N LEU A 64 4.844 -0.672 -1.639 1.00 10.00 N ATOM 976 CA LEU A 64 5.203 0.706 -1.326 1.00 53.10 C ATOM 977 C LEU A 64 6.098 1.295 -2.412 1.00 4.21 C ATOM 978 O LEU A 64 5.970 2.465 -2.770 1.00 34.30 O ATOM 979 CB LEU A 64 5.911 0.776 0.028 1.00 23.30 C ATOM 980 CG LEU A 64 5.616 2.032 0.849 1.00 2.21 C ATOM 981 CD1 LEU A 64 5.913 3.283 0.037 1.00 74.40 C ATOM 982 CD2 LEU A 64 4.170 2.032 1.321 1.00 70.50 C ATOM 0 H LEU A 64 5.266 -1.368 -1.024 1.00 10.00 H new ATOM 0 HA LEU A 64 4.285 1.292 -1.279 1.00 53.10 H new ATOM 0 HB2 LEU A 64 5.627 -0.098 0.615 1.00 23.30 H new ATOM 0 HB3 LEU A 64 6.986 0.713 -0.138 1.00 23.30 H new ATOM 0 HG LEU A 64 6.264 2.030 1.725 1.00 2.21 H new ATOM 0 HD11 LEU A 64 5.697 4.166 0.638 1.00 74.40 H new ATOM 0 HD12 LEU A 64 6.964 3.288 -0.252 1.00 74.40 H new ATOM 0 HD13 LEU A 64 5.291 3.292 -0.858 1.00 74.40 H new ATOM 0 HD21 LEU A 64 3.977 2.933 1.904 1.00 70.50 H new ATOM 0 HD22 LEU A 64 3.505 2.009 0.457 1.00 70.50 H new ATOM 0 HD23 LEU A 64 3.990 1.154 1.941 1.00 70.50 H new ATOM 994 N ASP A 65 7.005 0.474 -2.932 1.00 53.00 N ATOM 995 CA ASP A 65 7.922 0.913 -3.978 1.00 35.40 C ATOM 996 C ASP A 65 7.157 1.368 -5.216 1.00 43.00 C ATOM 997 O ASP A 65 7.311 2.501 -5.672 1.00 74.30 O ATOM 998 CB ASP A 65 8.887 -0.216 -4.346 1.00 24.40 C ATOM 999 CG ASP A 65 10.279 0.294 -4.662 1.00 34.00 C ATOM 1000 OD1 ASP A 65 10.866 0.989 -3.806 1.00 21.10 O ATOM 1001 OD2 ASP A 65 10.783 -0.002 -5.766 1.00 24.00 O ATOM 0 H ASP A 65 7.125 -0.498 -2.646 1.00 53.00 H new ATOM 0 HA ASP A 65 8.493 1.759 -3.595 1.00 35.40 H new ATOM 0 HB2 ASP A 65 8.942 -0.927 -3.521 1.00 24.40 H new ATOM 0 HB3 ASP A 65 8.497 -0.757 -5.208 1.00 24.40 H new ATOM 1006 N ARG A 66 6.332 0.477 -5.756 1.00 70.30 N ATOM 1007 CA ARG A 66 5.541 0.787 -6.942 1.00 70.10 C ATOM 1008 C ARG A 66 4.611 1.968 -6.681 1.00 54.40 C ATOM 1009 O ARG A 66 4.518 2.888 -7.493 1.00 11.30 O ATOM 1010 CB ARG A 66 4.727 -0.434 -7.371 1.00 25.10 C ATOM 1011 CG ARG A 66 5.449 -1.329 -8.365 1.00 72.10 C ATOM 1012 CD ARG A 66 4.805 -2.703 -8.449 1.00 2.30 C ATOM 1013 NE ARG A 66 3.491 -2.654 -9.086 1.00 64.50 N ATOM 1014 CZ ARG A 66 2.781 -3.734 -9.403 1.00 33.30 C ATOM 1015 NH1 ARG A 66 3.252 -4.948 -9.144 1.00 52.30 N ATOM 1016 NH2 ARG A 66 1.594 -3.601 -9.981 1.00 13.40 N ATOM 0 H ARG A 66 6.194 -0.466 -5.391 1.00 70.30 H new ATOM 0 HA ARG A 66 6.226 1.058 -7.745 1.00 70.10 H new ATOM 0 HB2 ARG A 66 4.472 -1.019 -6.487 1.00 25.10 H new ATOM 0 HB3 ARG A 66 3.789 -0.098 -7.813 1.00 25.10 H new ATOM 0 HG2 ARG A 66 5.441 -0.862 -9.350 1.00 72.10 H new ATOM 0 HG3 ARG A 66 6.493 -1.433 -8.070 1.00 72.10 H new ATOM 0 HD2 ARG A 66 5.455 -3.374 -9.010 1.00 2.30 H new ATOM 0 HD3 ARG A 66 4.706 -3.119 -7.446 1.00 2.30 H new ATOM 0 HE ARG A 66 3.095 -1.739 -9.300 1.00 64.50 H new ATOM 0 HH11 ARG A 66 4.163 -5.057 -8.699 1.00 52.30 H new ATOM 0 HH12 ARG A 66 2.702 -5.771 -9.390 1.00 52.30 H new ATOM 0 HH21 ARG A 66 1.226 -2.671 -10.182 1.00 13.40 H new ATOM 0 HH22 ARG A 66 1.050 -4.429 -10.224 1.00 13.40 H new ATOM 1030 N ALA A 67 3.926 1.934 -5.543 1.00 33.20 N ATOM 1031 CA ALA A 67 3.003 3.001 -5.174 1.00 23.30 C ATOM 1032 C ALA A 67 3.716 4.347 -5.115 1.00 55.40 C ATOM 1033 O ALA A 67 3.219 5.348 -5.630 1.00 42.40 O ATOM 1034 CB ALA A 67 2.346 2.691 -3.837 1.00 74.20 C ATOM 0 H ALA A 67 3.993 1.179 -4.860 1.00 33.20 H new ATOM 0 HA ALA A 67 2.231 3.061 -5.941 1.00 23.30 H new ATOM 0 HB1 ALA A 67 1.660 3.496 -3.574 1.00 74.20 H new ATOM 0 HB2 ALA A 67 1.795 1.754 -3.911 1.00 74.20 H new ATOM 0 HB3 ALA A 67 3.112 2.601 -3.067 1.00 74.20 H new ATOM 1040 N GLU A 68 4.887 4.363 -4.486 1.00 65.30 N ATOM 1041 CA GLU A 68 5.674 5.585 -4.361 1.00 74.10 C ATOM 1042 C GLU A 68 5.987 6.170 -5.736 1.00 45.50 C ATOM 1043 O GLU A 68 6.099 7.385 -5.894 1.00 30.40 O ATOM 1044 CB GLU A 68 6.974 5.300 -3.602 1.00 24.40 C ATOM 1045 CG GLU A 68 7.964 6.454 -3.620 1.00 55.50 C ATOM 1046 CD GLU A 68 8.986 6.363 -2.504 1.00 64.20 C ATOM 1047 OE1 GLU A 68 8.595 6.505 -1.327 1.00 52.00 O ATOM 1048 OE2 GLU A 68 10.179 6.149 -2.808 1.00 22.20 O ATOM 0 H GLU A 68 5.312 3.542 -4.054 1.00 65.30 H new ATOM 0 HA GLU A 68 5.088 6.315 -3.802 1.00 74.10 H new ATOM 0 HB2 GLU A 68 6.733 5.057 -2.567 1.00 24.40 H new ATOM 0 HB3 GLU A 68 7.450 4.419 -4.034 1.00 24.40 H new ATOM 0 HG2 GLU A 68 8.480 6.470 -4.580 1.00 55.50 H new ATOM 0 HG3 GLU A 68 7.421 7.395 -3.534 1.00 55.50 H new ATOM 1055 N LYS A 69 6.129 5.295 -6.725 1.00 40.50 N ATOM 1056 CA LYS A 69 6.431 5.721 -8.086 1.00 4.10 C ATOM 1057 C LYS A 69 5.160 6.114 -8.833 1.00 11.20 C ATOM 1058 O LYS A 69 5.194 6.950 -9.736 1.00 1.43 O ATOM 1059 CB LYS A 69 7.157 4.604 -8.837 1.00 5.33 C ATOM 1060 CG LYS A 69 7.534 4.974 -10.260 1.00 53.10 C ATOM 1061 CD LYS A 69 8.784 4.239 -10.710 1.00 13.30 C ATOM 1062 CE LYS A 69 8.686 3.822 -12.170 1.00 13.40 C ATOM 1063 NZ LYS A 69 9.392 4.777 -13.070 1.00 3.04 N ATOM 0 H LYS A 69 6.040 4.286 -6.609 1.00 40.50 H new ATOM 0 HA LYS A 69 7.078 6.596 -8.032 1.00 4.10 H new ATOM 0 HB2 LYS A 69 8.060 4.336 -8.289 1.00 5.33 H new ATOM 0 HB3 LYS A 69 6.522 3.718 -8.857 1.00 5.33 H new ATOM 0 HG2 LYS A 69 6.708 4.736 -10.931 1.00 53.10 H new ATOM 0 HG3 LYS A 69 7.698 6.049 -10.327 1.00 53.10 H new ATOM 0 HD2 LYS A 69 9.655 4.879 -10.570 1.00 13.30 H new ATOM 0 HD3 LYS A 69 8.934 3.357 -10.087 1.00 13.30 H new ATOM 0 HE2 LYS A 69 9.112 2.826 -12.292 1.00 13.40 H new ATOM 0 HE3 LYS A 69 7.637 3.758 -12.460 1.00 13.40 H new ATOM 0 HZ1 LYS A 69 9.301 4.457 -14.055 1.00 3.04 H new ATOM 0 HZ2 LYS A 69 8.970 5.722 -12.973 1.00 3.04 H new ATOM 0 HZ3 LYS A 69 10.398 4.819 -12.811 1.00 3.04 H new ATOM 1077 N LEU A 70 4.041 5.506 -8.453 1.00 42.20 N ATOM 1078 CA LEU A 70 2.761 5.796 -9.090 1.00 32.20 C ATOM 1079 C LEU A 70 2.319 7.225 -8.794 1.00 70.20 C ATOM 1080 O LEU A 70 1.850 7.937 -9.683 1.00 54.10 O ATOM 1081 CB LEU A 70 1.694 4.809 -8.612 1.00 4.42 C ATOM 1082 CG LEU A 70 1.812 3.397 -9.188 1.00 34.10 C ATOM 1083 CD1 LEU A 70 0.646 2.535 -8.730 1.00 33.50 C ATOM 1084 CD2 LEU A 70 1.877 3.445 -10.700 1.00 64.20 C ATOM 0 H LEU A 70 3.994 4.810 -7.708 1.00 42.20 H new ATOM 0 HA LEU A 70 2.886 5.689 -10.167 1.00 32.20 H new ATOM 0 HB2 LEU A 70 1.740 4.746 -7.525 1.00 4.42 H new ATOM 0 HB3 LEU A 70 0.712 5.208 -8.867 1.00 4.42 H new ATOM 0 HG LEU A 70 2.735 2.950 -8.818 1.00 34.10 H new ATOM 0 HD11 LEU A 70 0.747 1.534 -9.150 1.00 33.50 H new ATOM 0 HD12 LEU A 70 0.644 2.474 -7.642 1.00 33.50 H new ATOM 0 HD13 LEU A 70 -0.290 2.978 -9.070 1.00 33.50 H new ATOM 0 HD21 LEU A 70 1.961 2.432 -11.093 1.00 64.20 H new ATOM 0 HD22 LEU A 70 0.972 3.911 -11.088 1.00 64.20 H new ATOM 0 HD23 LEU A 70 2.746 4.027 -11.009 1.00 64.20 H new ATOM 1096 N LYS A 71 2.471 7.639 -7.541 1.00 20.10 N ATOM 1097 CA LYS A 71 2.087 8.984 -7.128 1.00 11.10 C ATOM 1098 C LYS A 71 3.096 10.014 -7.626 1.00 12.30 C ATOM 1099 O LYS A 71 2.721 11.086 -8.101 1.00 30.30 O ATOM 1100 CB LYS A 71 1.972 9.060 -5.605 1.00 64.50 C ATOM 1101 CG LYS A 71 0.906 10.029 -5.122 1.00 34.40 C ATOM 1102 CD LYS A 71 1.410 11.463 -5.131 1.00 14.20 C ATOM 1103 CE LYS A 71 0.266 12.456 -5.251 1.00 24.10 C ATOM 1104 NZ LYS A 71 0.756 13.858 -5.365 1.00 75.20 N ATOM 0 H LYS A 71 2.857 7.063 -6.793 1.00 20.10 H new ATOM 0 HA LYS A 71 1.116 9.209 -7.569 1.00 11.10 H new ATOM 0 HB2 LYS A 71 1.751 8.066 -5.216 1.00 64.50 H new ATOM 0 HB3 LYS A 71 2.935 9.357 -5.191 1.00 64.50 H new ATOM 0 HG2 LYS A 71 0.025 9.948 -5.758 1.00 34.40 H new ATOM 0 HG3 LYS A 71 0.597 9.757 -4.113 1.00 34.40 H new ATOM 0 HD2 LYS A 71 1.968 11.659 -4.216 1.00 14.20 H new ATOM 0 HD3 LYS A 71 2.102 11.601 -5.962 1.00 14.20 H new ATOM 0 HE2 LYS A 71 -0.338 12.210 -6.125 1.00 24.10 H new ATOM 0 HE3 LYS A 71 -0.384 12.368 -4.380 1.00 24.10 H new ATOM 0 HZ1 LYS A 71 0.331 14.436 -4.612 1.00 75.20 H new ATOM 0 HZ2 LYS A 71 1.792 13.873 -5.271 1.00 75.20 H new ATOM 0 HZ3 LYS A 71 0.488 14.245 -6.292 1.00 75.20 H new ATOM 1118 N ASP A 72 4.377 9.681 -7.514 1.00 34.10 N ATOM 1119 CA ASP A 72 5.441 10.576 -7.954 1.00 0.14 C ATOM 1120 C ASP A 72 5.407 10.762 -9.467 1.00 25.30 C ATOM 1121 O ASP A 72 5.783 11.815 -9.982 1.00 5.20 O ATOM 1122 CB ASP A 72 6.805 10.030 -7.526 1.00 12.30 C ATOM 1123 CG ASP A 72 7.127 10.346 -6.079 1.00 4.42 C ATOM 1124 OD1 ASP A 72 6.249 10.136 -5.216 1.00 2.31 O ATOM 1125 OD2 ASP A 72 8.257 10.805 -5.809 1.00 4.31 O ATOM 0 H ASP A 72 4.704 8.798 -7.122 1.00 34.10 H new ATOM 0 HA ASP A 72 5.282 11.546 -7.484 1.00 0.14 H new ATOM 0 HB2 ASP A 72 6.823 8.950 -7.672 1.00 12.30 H new ATOM 0 HB3 ASP A 72 7.579 10.451 -8.168 1.00 12.30 H new ATOM 1130 N TYR A 73 4.954 9.732 -10.170 1.00 11.20 N ATOM 1131 CA TYR A 73 4.870 9.781 -11.630 1.00 63.10 C ATOM 1132 C TYR A 73 3.813 10.784 -12.080 1.00 24.40 C ATOM 1133 O TYR A 73 4.092 11.674 -12.880 1.00 12.40 O ATOM 1134 CB TYR A 73 4.547 8.393 -12.180 1.00 64.30 C ATOM 1135 CG TYR A 73 4.421 8.358 -13.690 1.00 21.10 C ATOM 1136 CD1 TYR A 73 5.537 8.165 -14.500 1.00 10.10 C ATOM 1137 CD2 TYR A 73 3.187 8.519 -14.310 1.00 44.50 C ATOM 1138 CE1 TYR A 73 5.425 8.133 -15.870 1.00 61.10 C ATOM 1139 CE2 TYR A 73 3.067 8.487 -15.680 1.00 10.50 C ATOM 1140 CZ TYR A 73 4.189 8.294 -16.460 1.00 43.30 C ATOM 1141 OH TYR A 73 4.073 8.262 -17.830 1.00 50.40 O ATOM 0 H TYR A 73 4.639 8.854 -9.758 1.00 11.20 H new ATOM 0 HA TYR A 73 5.835 10.105 -12.020 1.00 63.10 H new ATOM 0 HB2 TYR A 73 5.328 7.698 -11.872 1.00 64.30 H new ATOM 0 HB3 TYR A 73 3.615 8.043 -11.737 1.00 64.30 H new ATOM 0 HD1 TYR A 73 6.508 8.038 -14.044 1.00 10.10 H new ATOM 0 HD2 TYR A 73 2.306 8.672 -13.704 1.00 44.50 H new ATOM 0 HE1 TYR A 73 6.302 7.982 -16.482 1.00 61.10 H new ATOM 0 HE2 TYR A 73 2.099 8.612 -16.143 1.00 10.50 H new ATOM 0 HH TYR A 73 3.135 8.390 -18.082 1.00 50.40 H new ATOM 1151 N LEU A 74 2.600 10.633 -11.560 1.00 13.40 N ATOM 1152 CA LEU A 74 1.500 11.524 -11.910 1.00 11.00 C ATOM 1153 C LEU A 74 1.833 12.970 -11.550 1.00 14.30 C ATOM 1154 O LEU A 74 1.750 13.862 -12.400 1.00 53.40 O ATOM 1155 CB LEU A 74 0.218 11.092 -11.190 1.00 52.40 C ATOM 1156 CG LEU A 74 -0.616 10.048 -11.940 1.00 64.20 C ATOM 1157 CD1 LEU A 74 -1.343 9.145 -10.950 1.00 54.10 C ATOM 1158 CD2 LEU A 74 -1.605 10.726 -12.870 1.00 54.20 C ATOM 0 H LEU A 74 2.353 9.901 -10.894 1.00 13.40 H new ATOM 0 HA LEU A 74 1.345 11.462 -12.987 1.00 11.00 H new ATOM 0 HB2 LEU A 74 0.484 10.691 -10.212 1.00 52.40 H new ATOM 0 HB3 LEU A 74 -0.399 11.973 -11.015 1.00 52.40 H new ATOM 0 HG LEU A 74 0.053 9.434 -12.543 1.00 64.20 H new ATOM 0 HD11 LEU A 74 -1.932 8.407 -11.495 1.00 54.10 H new ATOM 0 HD12 LEU A 74 -0.614 8.634 -10.321 1.00 54.10 H new ATOM 0 HD13 LEU A 74 -2.003 9.747 -10.325 1.00 54.10 H new ATOM 0 HD21 LEU A 74 -2.189 9.969 -13.394 1.00 54.20 H new ATOM 0 HD22 LEU A 74 -2.273 11.362 -12.289 1.00 54.20 H new ATOM 0 HD23 LEU A 74 -1.064 11.334 -13.595 1.00 54.20 H new ATOM 1170 N ARG A 75 2.208 13.194 -10.300 1.00 4.45 N ATOM 1171 CA ARG A 75 2.551 14.533 -9.834 1.00 31.20 C ATOM 1172 C ARG A 75 3.719 15.105 -10.630 1.00 53.10 C ATOM 1173 O ARG A 75 3.807 16.315 -10.840 1.00 45.30 O ATOM 1174 CB ARG A 75 2.900 14.502 -8.345 1.00 23.10 C ATOM 1175 CG ARG A 75 4.141 13.683 -8.027 1.00 63.40 C ATOM 1176 CD ARG A 75 5.394 14.543 -8.039 1.00 42.40 C ATOM 1177 NE ARG A 75 5.774 14.976 -6.696 1.00 71.10 N ATOM 1178 CZ ARG A 75 6.637 15.958 -6.450 1.00 40.10 C ATOM 1179 NH1 ARG A 75 7.212 16.613 -7.452 1.00 51.40 N ATOM 1180 NH2 ARG A 75 6.927 16.289 -5.199 1.00 44.10 N ATOM 0 H ARG A 75 2.283 12.467 -9.588 1.00 4.45 H new ATOM 0 HA ARG A 75 1.684 15.176 -9.985 1.00 31.20 H new ATOM 0 HB2 ARG A 75 3.049 15.523 -7.994 1.00 23.10 H new ATOM 0 HB3 ARG A 75 2.054 14.095 -7.791 1.00 23.10 H new ATOM 0 HG2 ARG A 75 4.029 13.215 -7.049 1.00 63.40 H new ATOM 0 HG3 ARG A 75 4.244 12.878 -8.755 1.00 63.40 H new ATOM 0 HD2 ARG A 75 6.215 13.981 -8.485 1.00 42.40 H new ATOM 0 HD3 ARG A 75 5.228 15.417 -8.668 1.00 42.40 H new ATOM 0 HE ARG A 75 5.353 14.497 -5.900 1.00 71.10 H new ATOM 0 HH11 ARG A 75 6.993 16.364 -8.417 1.00 51.40 H new ATOM 0 HH12 ARG A 75 7.873 17.365 -7.257 1.00 51.40 H new ATOM 0 HH21 ARG A 75 6.488 15.791 -4.425 1.00 44.10 H new ATOM 0 HH22 ARG A 75 7.589 17.042 -5.011 1.00 44.10 H new TER 1194 ARG A 75 ATOM 1195 N GLU B 115 9.678 -3.026 9.497 1.00 11.20 N ATOM 1196 CA GLU B 115 8.241 -2.792 9.414 1.00 43.20 C ATOM 1197 C GLU B 115 7.924 -1.304 9.519 1.00 61.30 C ATOM 1198 O GLU B 115 6.953 -0.823 8.935 1.00 51.40 O ATOM 1199 CB GLU B 115 7.513 -3.559 10.519 1.00 71.20 C ATOM 1200 CG GLU B 115 6.121 -4.024 10.122 1.00 30.20 C ATOM 1201 CD GLU B 115 5.027 -3.155 10.709 1.00 35.20 C ATOM 1202 OE1 GLU B 115 5.273 -1.947 10.912 1.00 3.54 O ATOM 1203 OE2 GLU B 115 3.924 -3.682 10.966 1.00 4.24 O ATOM 0 HA GLU B 115 7.896 -3.151 8.444 1.00 43.20 H new ATOM 0 HB2 GLU B 115 8.110 -4.426 10.801 1.00 71.20 H new ATOM 0 HB3 GLU B 115 7.437 -2.923 11.401 1.00 71.20 H new ATOM 0 HG2 GLU B 115 6.038 -4.022 9.035 1.00 30.20 H new ATOM 0 HG3 GLU B 115 5.978 -5.053 10.451 1.00 30.20 H new ATOM 1210 N ASP B 116 8.751 -0.579 10.266 1.00 23.30 N ATOM 1211 CA ASP B 116 8.559 0.855 10.448 1.00 64.20 C ATOM 1212 C ASP B 116 8.885 1.616 9.166 1.00 12.20 C ATOM 1213 O ASP B 116 8.320 2.678 8.904 1.00 72.40 O ATOM 1214 CB ASP B 116 9.434 1.366 11.594 1.00 72.10 C ATOM 1215 CG ASP B 116 8.770 1.200 12.947 1.00 11.00 C ATOM 1216 OD1 ASP B 116 8.445 0.050 13.312 1.00 54.30 O ATOM 1217 OD2 ASP B 116 8.574 2.220 13.641 1.00 30.40 O ATOM 0 H ASP B 116 9.560 -0.961 10.755 1.00 23.30 H new ATOM 0 HA ASP B 116 7.511 1.027 10.694 1.00 64.20 H new ATOM 0 HB2 ASP B 116 10.383 0.830 11.590 1.00 72.10 H new ATOM 0 HB3 ASP B 116 9.662 2.419 11.431 1.00 72.10 H new ATOM 1222 N GLN B 117 9.799 1.068 8.373 1.00 72.30 N ATOM 1223 CA GLN B 117 10.200 1.696 7.119 1.00 51.10 C ATOM 1224 C GLN B 117 9.003 1.877 6.191 1.00 52.20 C ATOM 1225 O GLN B 117 8.661 2.997 5.813 1.00 71.40 O ATOM 1226 CB GLN B 117 11.276 0.858 6.425 1.00 53.30 C ATOM 1227 CG GLN B 117 12.320 1.690 5.698 1.00 4.12 C ATOM 1228 CD GLN B 117 13.686 1.033 5.691 1.00 2.13 C ATOM 1229 OE1 GLN B 117 13.852 -0.076 5.182 1.00 51.30 O ATOM 1230 NE2 GLN B 117 14.674 1.715 6.258 1.00 34.40 N ATOM 0 H GLN B 117 10.277 0.190 8.576 1.00 72.30 H new ATOM 0 HA GLN B 117 10.608 2.680 7.350 1.00 51.10 H new ATOM 0 HB2 GLN B 117 11.773 0.234 7.167 1.00 53.30 H new ATOM 0 HB3 GLN B 117 10.798 0.186 5.712 1.00 53.30 H new ATOM 0 HG2 GLN B 117 11.996 1.857 4.671 1.00 4.12 H new ATOM 0 HG3 GLN B 117 12.394 2.669 6.172 1.00 4.12 H new ATOM 0 HE21 GLN B 117 14.492 2.631 6.668 1.00 34.40 H new ATOM 0 HE22 GLN B 117 15.615 1.323 6.284 1.00 34.40 H new ATOM 1239 N LEU B 118 8.370 0.766 5.826 1.00 61.40 N ATOM 1240 CA LEU B 118 7.211 0.803 4.942 1.00 4.21 C ATOM 1241 C LEU B 118 6.004 1.413 5.648 1.00 31.20 C ATOM 1242 O LEU B 118 5.147 2.027 5.013 1.00 42.20 O ATOM 1243 CB LEU B 118 6.872 -0.607 4.452 1.00 51.10 C ATOM 1244 CG LEU B 118 6.406 -1.577 5.539 1.00 62.10 C ATOM 1245 CD1 LEU B 118 5.367 -2.540 4.986 1.00 42.10 C ATOM 1246 CD2 LEU B 118 7.590 -2.339 6.113 1.00 23.40 C ATOM 0 H LEU B 118 8.640 -0.170 6.129 1.00 61.40 H new ATOM 0 HA LEU B 118 7.460 1.429 4.085 1.00 4.21 H new ATOM 0 HB2 LEU B 118 6.092 -0.534 3.694 1.00 51.10 H new ATOM 0 HB3 LEU B 118 7.752 -1.027 3.965 1.00 51.10 H new ATOM 0 HG LEU B 118 5.945 -1.001 6.341 1.00 62.10 H new ATOM 0 HD11 LEU B 118 5.047 -3.222 5.774 1.00 42.10 H new ATOM 0 HD12 LEU B 118 4.507 -1.978 4.622 1.00 42.10 H new ATOM 0 HD13 LEU B 118 5.801 -3.111 4.165 1.00 42.10 H new ATOM 0 HD21 LEU B 118 7.241 -3.025 6.885 1.00 23.40 H new ATOM 0 HD22 LEU B 118 8.078 -2.904 5.319 1.00 23.40 H new ATOM 0 HD23 LEU B 118 8.300 -1.635 6.547 1.00 23.40 H new ATOM 1258 N SER B 119 5.944 1.240 6.965 1.00 4.33 N ATOM 1259 CA SER B 119 4.842 1.775 7.755 1.00 34.30 C ATOM 1260 C SER B 119 4.863 3.300 7.758 1.00 2.42 C ATOM 1261 O SER B 119 3.836 3.946 7.552 1.00 60.20 O ATOM 1262 CB SER B 119 4.914 1.250 9.190 1.00 71.40 C ATOM 1263 OG SER B 119 4.242 0.008 9.314 1.00 11.20 O ATOM 0 H SER B 119 6.645 0.734 7.506 1.00 4.33 H new ATOM 0 HA SER B 119 3.908 1.444 7.300 1.00 34.30 H new ATOM 0 HB2 SER B 119 5.957 1.134 9.486 1.00 71.40 H new ATOM 0 HB3 SER B 119 4.469 1.977 9.869 1.00 71.40 H new ATOM 0 HG SER B 119 4.804 -0.620 9.814 1.00 11.20 H new ATOM 1269 N ARG B 120 6.041 3.870 7.993 1.00 22.20 N ATOM 1270 CA ARG B 120 6.196 5.319 8.023 1.00 22.40 C ATOM 1271 C ARG B 120 5.839 5.932 6.673 1.00 13.40 C ATOM 1272 O ARG B 120 5.146 6.948 6.605 1.00 71.00 O ATOM 1273 CB ARG B 120 7.631 5.692 8.401 1.00 71.20 C ATOM 1274 CG ARG B 120 7.743 7.024 9.124 1.00 45.10 C ATOM 1275 CD ARG B 120 9.044 7.734 8.785 1.00 73.30 C ATOM 1276 NE ARG B 120 10.191 7.123 9.451 1.00 71.20 N ATOM 1277 CZ ARG B 120 11.365 7.730 9.613 1.00 2.11 C ATOM 1278 NH1 ARG B 120 11.550 8.963 9.158 1.00 32.40 N ATOM 1279 NH2 ARG B 120 12.356 7.102 10.230 1.00 44.30 N ATOM 0 H ARG B 120 6.901 3.350 8.165 1.00 22.20 H new ATOM 0 HA ARG B 120 5.514 5.717 8.775 1.00 22.40 H new ATOM 0 HB2 ARG B 120 8.046 4.908 9.034 1.00 71.20 H new ATOM 0 HB3 ARG B 120 8.239 5.727 7.497 1.00 71.20 H new ATOM 0 HG2 ARG B 120 6.899 7.659 8.852 1.00 45.10 H new ATOM 0 HG3 ARG B 120 7.686 6.861 10.200 1.00 45.10 H new ATOM 0 HD2 ARG B 120 9.198 7.713 7.706 1.00 73.30 H new ATOM 0 HD3 ARG B 120 8.972 8.782 9.076 1.00 73.30 H new ATOM 0 HE ARG B 120 10.087 6.175 9.813 1.00 71.20 H new ATOM 0 HH11 ARG B 120 10.791 9.450 8.682 1.00 32.40 H new ATOM 0 HH12 ARG B 120 12.451 9.423 9.285 1.00 32.40 H new ATOM 0 HH21 ARG B 120 12.219 6.154 10.581 1.00 44.30 H new ATOM 0 HH22 ARG B 120 13.255 7.567 10.354 1.00 44.30 H new ATOM 1293 N ARG B 121 6.315 5.309 5.600 1.00 11.20 N ATOM 1294 CA ARG B 121 6.046 5.793 4.252 1.00 63.20 C ATOM 1295 C ARG B 121 4.552 5.753 3.948 1.00 12.10 C ATOM 1296 O ARG B 121 4.036 6.592 3.209 1.00 73.50 O ATOM 1297 CB ARG B 121 6.810 4.956 3.224 1.00 11.10 C ATOM 1298 CG ARG B 121 8.316 4.963 3.433 1.00 64.20 C ATOM 1299 CD ARG B 121 8.976 3.770 2.762 1.00 25.30 C ATOM 1300 NE ARG B 121 9.485 4.101 1.433 1.00 33.30 N ATOM 1301 CZ ARG B 121 10.375 3.362 0.774 1.00 4.44 C ATOM 1302 NH1 ARG B 121 10.855 2.250 1.316 1.00 24.10 N ATOM 1303 NH2 ARG B 121 10.784 3.735 -0.431 1.00 33.20 N ATOM 0 H ARG B 121 6.890 4.467 5.639 1.00 11.20 H new ATOM 0 HA ARG B 121 6.384 6.828 4.191 1.00 63.20 H new ATOM 0 HB2 ARG B 121 6.450 3.928 3.265 1.00 11.10 H new ATOM 0 HB3 ARG B 121 6.588 5.331 2.225 1.00 11.10 H new ATOM 0 HG2 ARG B 121 8.736 5.886 3.032 1.00 64.20 H new ATOM 0 HG3 ARG B 121 8.537 4.950 4.500 1.00 64.20 H new ATOM 0 HD2 ARG B 121 9.795 3.411 3.385 1.00 25.30 H new ATOM 0 HD3 ARG B 121 8.256 2.955 2.682 1.00 25.30 H new ATOM 0 HE ARG B 121 9.138 4.948 0.984 1.00 33.30 H new ATOM 0 HH11 ARG B 121 10.542 1.958 2.242 1.00 24.10 H new ATOM 0 HH12 ARG B 121 11.537 1.687 0.807 1.00 24.10 H new ATOM 0 HH21 ARG B 121 10.417 4.588 -0.853 1.00 33.20 H new ATOM 0 HH22 ARG B 121 11.466 3.169 -0.936 1.00 33.20 H new ATOM 1317 N LEU B 122 3.862 4.772 4.522 1.00 12.40 N ATOM 1318 CA LEU B 122 2.427 4.623 4.312 1.00 14.20 C ATOM 1319 C LEU B 122 1.674 5.856 4.801 1.00 24.00 C ATOM 1320 O LEU B 122 0.870 6.434 4.071 1.00 13.10 O ATOM 1321 CB LEU B 122 1.912 3.376 5.035 1.00 43.40 C ATOM 1322 CG LEU B 122 0.778 2.637 4.323 1.00 4.43 C ATOM 1323 CD1 LEU B 122 0.660 1.213 4.843 1.00 12.20 C ATOM 1324 CD2 LEU B 122 -0.537 3.382 4.500 1.00 52.30 C ATOM 0 H LEU B 122 4.274 4.069 5.136 1.00 12.40 H new ATOM 0 HA LEU B 122 2.251 4.513 3.242 1.00 14.20 H new ATOM 0 HB2 LEU B 122 2.744 2.686 5.174 1.00 43.40 H new ATOM 0 HB3 LEU B 122 1.569 3.666 6.028 1.00 43.40 H new ATOM 0 HG LEU B 122 1.009 2.595 3.259 1.00 4.43 H new ATOM 0 HD11 LEU B 122 -0.152 0.703 4.325 1.00 12.20 H new ATOM 0 HD12 LEU B 122 1.595 0.682 4.665 1.00 12.20 H new ATOM 0 HD13 LEU B 122 0.452 1.232 5.913 1.00 12.20 H new ATOM 0 HD21 LEU B 122 -1.333 2.842 3.987 1.00 52.30 H new ATOM 0 HD22 LEU B 122 -0.774 3.455 5.561 1.00 52.30 H new ATOM 0 HD23 LEU B 122 -0.448 4.383 4.078 1.00 52.30 H new ATOM 1336 N ALA B 123 1.942 6.253 6.041 1.00 21.10 N ATOM 1337 CA ALA B 123 1.290 7.417 6.627 1.00 41.10 C ATOM 1338 C ALA B 123 1.585 8.676 5.820 1.00 23.50 C ATOM 1339 O ALA B 123 0.735 9.558 5.692 1.00 34.50 O ATOM 1340 CB ALA B 123 1.733 7.598 8.071 1.00 65.50 C ATOM 0 H ALA B 123 2.606 5.786 6.658 1.00 21.10 H new ATOM 0 HA ALA B 123 0.213 7.248 6.607 1.00 41.10 H new ATOM 0 HB1 ALA B 123 1.238 8.471 8.497 1.00 65.50 H new ATOM 0 HB2 ALA B 123 1.465 6.712 8.647 1.00 65.50 H new ATOM 0 HB3 ALA B 123 2.813 7.740 8.105 1.00 65.50 H new ATOM 1346 N ALA B 124 2.795 8.754 5.276 1.00 44.20 N ATOM 1347 CA ALA B 124 3.203 9.905 4.480 1.00 5.02 C ATOM 1348 C ALA B 124 2.410 9.982 3.180 1.00 55.30 C ATOM 1349 O ALA B 124 2.086 11.070 2.703 1.00 14.30 O ATOM 1350 CB ALA B 124 4.695 9.843 4.188 1.00 33.10 C ATOM 0 H ALA B 124 3.510 8.033 5.372 1.00 44.20 H new ATOM 0 HA ALA B 124 2.994 10.806 5.056 1.00 5.02 H new ATOM 0 HB1 ALA B 124 4.986 10.709 3.593 1.00 33.10 H new ATOM 0 HB2 ALA B 124 5.250 9.845 5.126 1.00 33.10 H new ATOM 0 HB3 ALA B 124 4.920 8.931 3.635 1.00 33.10 H new ATOM 1356 N LEU B 125 2.101 8.821 2.612 1.00 4.10 N ATOM 1357 CA LEU B 125 1.345 8.757 1.366 1.00 25.00 C ATOM 1358 C LEU B 125 -0.064 9.310 1.555 1.00 23.30 C ATOM 1359 O LEU B 125 -0.598 9.989 0.678 1.00 1.22 O ATOM 1360 CB LEU B 125 1.276 7.315 0.861 1.00 60.10 C ATOM 1361 CG LEU B 125 2.572 6.780 0.250 1.00 54.40 C ATOM 1362 CD1 LEU B 125 2.701 5.284 0.495 1.00 42.50 C ATOM 1363 CD2 LEU B 125 2.623 7.084 -1.240 1.00 21.40 C ATOM 0 H LEU B 125 2.362 7.912 2.994 1.00 4.10 H new ATOM 0 HA LEU B 125 1.860 9.370 0.626 1.00 25.00 H new ATOM 0 HB2 LEU B 125 0.990 6.669 1.691 1.00 60.10 H new ATOM 0 HB3 LEU B 125 0.485 7.245 0.115 1.00 60.10 H new ATOM 0 HG LEU B 125 3.412 7.280 0.732 1.00 54.40 H new ATOM 0 HD11 LEU B 125 3.629 4.922 0.053 1.00 42.50 H new ATOM 0 HD12 LEU B 125 2.710 5.090 1.568 1.00 42.50 H new ATOM 0 HD13 LEU B 125 1.856 4.767 0.040 1.00 42.50 H new ATOM 0 HD21 LEU B 125 3.552 6.696 -1.659 1.00 21.40 H new ATOM 0 HD22 LEU B 125 1.776 6.611 -1.737 1.00 21.40 H new ATOM 0 HD23 LEU B 125 2.578 8.162 -1.393 1.00 21.40 H new ATOM 1375 N ARG B 126 -0.660 9.015 2.706 1.00 41.20 N ATOM 1376 CA ARG B 126 -2.007 9.483 3.011 1.00 44.10 C ATOM 1377 C ARG B 126 -1.965 10.730 3.888 1.00 14.40 C ATOM 1378 O ARG B 126 -2.816 10.919 4.757 1.00 2.43 O ATOM 1379 CB ARG B 126 -2.806 8.381 3.709 1.00 51.40 C ATOM 1380 CG ARG B 126 -2.050 7.706 4.841 1.00 64.30 C ATOM 1381 CD ARG B 126 -2.988 7.273 5.956 1.00 74.00 C ATOM 1382 NE ARG B 126 -3.338 8.383 6.839 1.00 35.30 N ATOM 1383 CZ ARG B 126 -3.996 8.238 7.987 1.00 65.10 C ATOM 1384 NH1 ARG B 126 -4.377 7.034 8.394 1.00 20.40 N ATOM 1385 NH2 ARG B 126 -4.274 9.300 8.730 1.00 40.30 N ATOM 0 H ARG B 126 -0.231 8.454 3.442 1.00 41.20 H new ATOM 0 HA ARG B 126 -2.497 9.739 2.072 1.00 44.10 H new ATOM 0 HB2 ARG B 126 -3.729 8.807 4.103 1.00 51.40 H new ATOM 0 HB3 ARG B 126 -3.090 7.628 2.974 1.00 51.40 H new ATOM 0 HG2 ARG B 126 -1.515 6.838 4.456 1.00 64.30 H new ATOM 0 HG3 ARG B 126 -1.301 8.391 5.239 1.00 64.30 H new ATOM 0 HD2 ARG B 126 -3.896 6.854 5.523 1.00 74.00 H new ATOM 0 HD3 ARG B 126 -2.517 6.481 6.538 1.00 74.00 H new ATOM 0 HE ARG B 126 -3.062 9.324 6.559 1.00 35.30 H new ATOM 0 HH11 ARG B 126 -4.166 6.213 7.826 1.00 20.40 H new ATOM 0 HH12 ARG B 126 -4.881 6.929 9.275 1.00 20.40 H new ATOM 0 HH21 ARG B 126 -3.984 10.228 8.422 1.00 40.30 H new ATOM 0 HH22 ARG B 126 -4.778 9.189 9.610 1.00 40.30 H new ATOM 1399 N ASN B 127 -0.969 11.579 3.654 1.00 35.30 N ATOM 1400 CA ASN B 127 -0.816 12.808 4.423 1.00 23.20 C ATOM 1401 C ASN B 127 -0.189 13.908 3.572 1.00 5.01 C ATOM 1402 O ASN B 127 0.057 13.659 2.373 1.00 4.34 O ATOM 1403 CB ASN B 127 0.042 12.555 5.664 1.00 34.20 C ATOM 1404 CG ASN B 127 -0.779 12.085 6.848 1.00 31.40 C ATOM 1405 OD1 ASN B 127 -0.497 11.042 7.439 1.00 41.50 O ATOM 1406 ND2 ASN B 127 -1.801 12.854 7.203 1.00 65.10 N ATOM 1407 OXT ASN B 127 0.051 15.008 4.112 1.00 38.30 O ATOM 0 H ASN B 127 -0.256 11.438 2.938 1.00 35.30 H new ATOM 0 HA ASN B 127 -1.807 13.137 4.736 1.00 23.20 H new ATOM 0 HB2 ASN B 127 0.801 11.808 5.432 1.00 34.20 H new ATOM 0 HB3 ASN B 127 0.569 13.471 5.931 1.00 34.20 H new ATOM 0 HD21 ASN B 127 -2.388 12.589 7.994 1.00 65.10 H new ATOM 0 HD22 ASN B 127 -1.999 13.710 6.685 1.00 65.10 H new TER 1414 ASN B 127