USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 975 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 103 MET CE :methyl -115:sc= -0.687 (180deg=-0.412) USER MOD Set 1.2: A 106 THR OG1 : rot -147:sc= -0.199 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.788 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc=-0.00647 X(o=-0.0065,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.76 K(o=-2.8,f=-1.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -39:sc= 0.698 USER MOD Single : A 43 MET CE :methyl -156:sc= -3.67 (180deg=-5.24!) USER MOD Single : A 44 ASN : amide:sc= -3.31! C(o=-3.3!,f=-6.2!) USER MOD Single : A 49 LYS NZ :NH3+ -144:sc= -0.0805 (180deg=-0.824) USER MOD Single : A 57 GLN : amide:sc= -0.611 K(o=-0.61,f=-2.7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -93:sc= 0.0203 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 96 THR OG1 : rot 180:sc=-7.33e-06 USER MOD Single : A 97 ASN : amide:sc= -0.22 K(o=-0.22,f=-3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.104) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -161:sc= -0.0206 (180deg=-0.206) USER MOD Single : A 116 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.152) USER MOD Single : A 117 HIS : no HD1:sc= -0.778 K(o=-0.78,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 1.329 0.000 0.000 1.00 2.00 N ATOM 2 CA SER A 3 2.094 0.002 -1.242 1.00 34.22 C ATOM 3 C SER A 3 1.282 -0.609 -2.380 1.00 52.43 C ATOM 4 O SER A 3 0.878 -1.769 -2.316 1.00 53.23 O ATOM 5 CB SER A 3 3.402 -0.771 -1.061 1.00 74.14 C ATOM 6 OG SER A 3 4.369 0.014 -0.386 1.00 50.24 O ATOM 0 HA SER A 3 2.324 1.036 -1.497 1.00 34.22 H new ATOM 0 HB2 SER A 3 3.213 -1.685 -0.497 1.00 74.14 H new ATOM 0 HB3 SER A 3 3.788 -1.071 -2.035 1.00 74.14 H new ATOM 0 HG SER A 3 5.195 -0.503 -0.281 1.00 50.24 H new ATOM 12 N ASN A 4 1.047 0.183 -3.422 1.00 23.11 N ATOM 13 CA ASN A 4 0.283 -0.278 -4.575 1.00 63.35 C ATOM 14 C ASN A 4 1.030 -1.383 -5.316 1.00 63.23 C ATOM 15 O ASN A 4 0.441 -2.390 -5.708 1.00 52.35 O ATOM 16 CB ASN A 4 0.001 0.887 -5.525 1.00 50.45 C ATOM 17 CG ASN A 4 -0.681 0.439 -6.804 1.00 5.31 C ATOM 18 OD1 ASN A 4 -1.886 0.191 -6.824 1.00 12.23 O ATOM 19 ND2 ASN A 4 0.091 0.333 -7.880 1.00 11.34 N ATOM 0 H ASN A 4 1.375 1.146 -3.491 1.00 23.11 H new ATOM 0 HA ASN A 4 -0.663 -0.682 -4.214 1.00 63.35 H new ATOM 0 HB2 ASN A 4 -0.627 1.621 -5.019 1.00 50.45 H new ATOM 0 HB3 ASN A 4 0.938 1.386 -5.772 1.00 50.45 H new ATOM 0 HD21 ASN A 4 -0.311 0.036 -8.769 1.00 11.34 H new ATOM 0 HD22 ASN A 4 1.086 0.549 -7.817 1.00 11.34 H new ATOM 26 N ALA A 5 2.331 -1.188 -5.503 1.00 44.45 N ATOM 27 CA ALA A 5 3.160 -2.168 -6.194 1.00 53.04 C ATOM 28 C ALA A 5 4.115 -2.858 -5.227 1.00 62.52 C ATOM 29 O ALA A 5 5.064 -3.521 -5.644 1.00 23.21 O ATOM 30 CB ALA A 5 3.936 -1.503 -7.321 1.00 52.34 C ATOM 0 H ALA A 5 2.834 -0.360 -5.185 1.00 44.45 H new ATOM 0 HA ALA A 5 2.503 -2.927 -6.619 1.00 53.04 H new ATOM 0 HB1 ALA A 5 4.551 -2.247 -7.828 1.00 52.34 H new ATOM 0 HB2 ALA A 5 3.238 -1.063 -8.033 1.00 52.34 H new ATOM 0 HB3 ALA A 5 4.576 -0.722 -6.911 1.00 52.34 H new ATOM 36 N GLY A 6 3.858 -2.698 -3.932 1.00 42.15 N ATOM 37 CA GLY A 6 4.705 -3.311 -2.926 1.00 63.34 C ATOM 38 C GLY A 6 4.793 -4.817 -3.082 1.00 4.50 C ATOM 39 O GLY A 6 5.854 -5.407 -2.882 1.00 45.20 O ATOM 0 H GLY A 6 3.078 -2.155 -3.562 1.00 42.15 H new ATOM 0 HA2 GLY A 6 5.706 -2.883 -2.988 1.00 63.34 H new ATOM 0 HA3 GLY A 6 4.318 -3.073 -1.935 1.00 63.34 H new ATOM 43 N ALA A 7 3.675 -5.439 -3.438 1.00 72.42 N ATOM 44 CA ALA A 7 3.630 -6.885 -3.621 1.00 3.15 C ATOM 45 C ALA A 7 4.737 -7.354 -4.559 1.00 20.33 C ATOM 46 O ALA A 7 5.333 -8.412 -4.351 1.00 11.44 O ATOM 47 CB ALA A 7 2.269 -7.308 -4.153 1.00 43.04 C ATOM 0 H ALA A 7 2.788 -4.965 -3.606 1.00 72.42 H new ATOM 0 HA ALA A 7 3.789 -7.355 -2.650 1.00 3.15 H new ATOM 0 HB1 ALA A 7 2.250 -8.390 -4.285 1.00 43.04 H new ATOM 0 HB2 ALA A 7 1.494 -7.015 -3.444 1.00 43.04 H new ATOM 0 HB3 ALA A 7 2.086 -6.823 -5.112 1.00 43.04 H new ATOM 53 N ILE A 8 5.006 -6.563 -5.591 1.00 43.52 N ATOM 54 CA ILE A 8 6.042 -6.898 -6.561 1.00 11.24 C ATOM 55 C ILE A 8 7.433 -6.663 -5.982 1.00 41.43 C ATOM 56 O ILE A 8 8.366 -7.418 -6.255 1.00 14.10 O ATOM 57 CB ILE A 8 5.890 -6.075 -7.854 1.00 20.32 C ATOM 58 CG1 ILE A 8 4.520 -6.327 -8.486 1.00 71.35 C ATOM 59 CG2 ILE A 8 7.003 -6.418 -8.833 1.00 52.31 C ATOM 60 CD1 ILE A 8 3.454 -5.359 -8.025 1.00 12.50 C ATOM 0 H ILE A 8 4.521 -5.685 -5.778 1.00 43.52 H new ATOM 0 HA ILE A 8 5.923 -7.955 -6.798 1.00 11.24 H new ATOM 0 HB ILE A 8 5.965 -5.016 -7.605 1.00 20.32 H new ATOM 0 HG12 ILE A 8 4.612 -6.264 -9.570 1.00 71.35 H new ATOM 0 HG13 ILE A 8 4.202 -7.343 -8.252 1.00 71.35 H new ATOM 0 HG21 ILE A 8 6.882 -5.829 -9.742 1.00 52.31 H new ATOM 0 HG22 ILE A 8 7.968 -6.193 -8.380 1.00 52.31 H new ATOM 0 HG23 ILE A 8 6.957 -7.479 -9.080 1.00 52.31 H new ATOM 0 HD11 ILE A 8 2.510 -5.598 -8.514 1.00 12.50 H new ATOM 0 HD12 ILE A 8 3.333 -5.438 -6.945 1.00 12.50 H new ATOM 0 HD13 ILE A 8 3.749 -4.342 -8.284 1.00 12.50 H new ATOM 72 N ALA A 9 7.565 -5.611 -5.181 1.00 14.23 N ATOM 73 CA ALA A 9 8.841 -5.278 -4.560 1.00 71.12 C ATOM 74 C ALA A 9 9.240 -6.327 -3.528 1.00 73.52 C ATOM 75 O ALA A 9 10.425 -6.579 -3.309 1.00 11.34 O ATOM 76 CB ALA A 9 8.772 -3.901 -3.916 1.00 73.32 C ATOM 0 H ALA A 9 6.803 -4.974 -4.947 1.00 14.23 H new ATOM 0 HA ALA A 9 9.603 -5.265 -5.339 1.00 71.12 H new ATOM 0 HB1 ALA A 9 9.732 -3.666 -3.456 1.00 73.32 H new ATOM 0 HB2 ALA A 9 8.541 -3.155 -4.676 1.00 73.32 H new ATOM 0 HB3 ALA A 9 7.993 -3.895 -3.153 1.00 73.32 H new ATOM 82 N LYS A 10 8.243 -6.938 -2.896 1.00 51.41 N ATOM 83 CA LYS A 10 8.489 -7.961 -1.887 1.00 13.12 C ATOM 84 C LYS A 10 9.080 -9.217 -2.518 1.00 43.04 C ATOM 85 O LYS A 10 9.625 -10.076 -1.824 1.00 33.23 O ATOM 86 CB LYS A 10 7.190 -8.308 -1.156 1.00 33.00 C ATOM 87 CG LYS A 10 7.409 -8.920 0.217 1.00 40.51 C ATOM 88 CD LYS A 10 7.930 -7.892 1.208 1.00 23.40 C ATOM 89 CE LYS A 10 7.424 -8.169 2.615 1.00 23.15 C ATOM 90 NZ LYS A 10 7.896 -7.143 3.586 1.00 25.43 N ATOM 0 H LYS A 10 7.256 -6.742 -3.065 1.00 51.41 H new ATOM 0 HA LYS A 10 9.208 -7.563 -1.170 1.00 13.12 H new ATOM 0 HB2 LYS A 10 6.590 -7.404 -1.050 1.00 33.00 H new ATOM 0 HB3 LYS A 10 6.614 -9.003 -1.767 1.00 33.00 H new ATOM 0 HG2 LYS A 10 6.472 -9.338 0.584 1.00 40.51 H new ATOM 0 HG3 LYS A 10 8.118 -9.745 0.140 1.00 40.51 H new ATOM 0 HD2 LYS A 10 9.020 -7.901 1.204 1.00 23.40 H new ATOM 0 HD3 LYS A 10 7.618 -6.895 0.898 1.00 23.40 H new ATOM 0 HE2 LYS A 10 6.334 -8.191 2.611 1.00 23.15 H new ATOM 0 HE3 LYS A 10 7.762 -9.155 2.935 1.00 23.15 H new ATOM 0 HZ1 LYS A 10 7.530 -7.367 4.533 1.00 25.43 H new ATOM 0 HZ2 LYS A 10 8.936 -7.139 3.609 1.00 25.43 H new ATOM 0 HZ3 LYS A 10 7.552 -6.206 3.295 1.00 25.43 H new ATOM 104 N LEU A 11 8.972 -9.317 -3.839 1.00 33.14 N ATOM 105 CA LEU A 11 9.498 -10.468 -4.564 1.00 74.14 C ATOM 106 C LEU A 11 10.992 -10.311 -4.825 1.00 43.10 C ATOM 107 O LEU A 11 11.670 -11.266 -5.205 1.00 32.41 O ATOM 108 CB LEU A 11 8.753 -10.644 -5.889 1.00 61.20 C ATOM 109 CG LEU A 11 7.256 -10.336 -5.863 1.00 74.14 C ATOM 110 CD1 LEU A 11 6.674 -10.398 -7.267 1.00 72.12 C ATOM 111 CD2 LEU A 11 6.528 -11.302 -4.939 1.00 41.14 C ATOM 0 H LEU A 11 8.525 -8.615 -4.429 1.00 33.14 H new ATOM 0 HA LEU A 11 9.347 -11.355 -3.948 1.00 74.14 H new ATOM 0 HB2 LEU A 11 9.223 -10.003 -6.635 1.00 61.20 H new ATOM 0 HB3 LEU A 11 8.886 -11.673 -6.224 1.00 61.20 H new ATOM 0 HG LEU A 11 7.119 -9.325 -5.479 1.00 74.14 H new ATOM 0 HD11 LEU A 11 5.608 -10.176 -7.229 1.00 72.12 H new ATOM 0 HD12 LEU A 11 7.175 -9.666 -7.901 1.00 72.12 H new ATOM 0 HD13 LEU A 11 6.822 -11.396 -7.679 1.00 72.12 H new ATOM 0 HD21 LEU A 11 5.464 -11.067 -4.933 1.00 41.14 H new ATOM 0 HD22 LEU A 11 6.673 -12.323 -5.293 1.00 41.14 H new ATOM 0 HD23 LEU A 11 6.926 -11.208 -3.928 1.00 41.14 H new ATOM 123 N ILE A 12 11.500 -9.101 -4.616 1.00 51.15 N ATOM 124 CA ILE A 12 12.915 -8.820 -4.826 1.00 32.13 C ATOM 125 C ILE A 12 13.790 -9.827 -4.088 1.00 21.42 C ATOM 126 O ILE A 12 14.620 -10.517 -4.680 1.00 61.42 O ATOM 127 CB ILE A 12 13.282 -7.399 -4.359 1.00 32.11 C ATOM 128 CG1 ILE A 12 13.066 -6.395 -5.493 1.00 11.44 C ATOM 129 CG2 ILE A 12 14.723 -7.357 -3.874 1.00 2.33 C ATOM 130 CD1 ILE A 12 14.015 -6.582 -6.655 1.00 63.22 C ATOM 0 H ILE A 12 10.953 -8.300 -4.301 1.00 51.15 H new ATOM 0 HA ILE A 12 13.097 -8.900 -5.898 1.00 32.13 H new ATOM 0 HB ILE A 12 12.632 -7.126 -3.528 1.00 32.11 H new ATOM 0 HG12 ILE A 12 12.041 -6.482 -5.854 1.00 11.44 H new ATOM 0 HG13 ILE A 12 13.181 -5.385 -5.100 1.00 11.44 H new ATOM 0 HG21 ILE A 12 14.968 -6.346 -3.547 1.00 2.33 H new ATOM 0 HG22 ILE A 12 14.846 -8.048 -3.040 1.00 2.33 H new ATOM 0 HG23 ILE A 12 15.389 -7.647 -4.687 1.00 2.33 H new ATOM 0 HD11 ILE A 12 13.804 -5.836 -7.421 1.00 63.22 H new ATOM 0 HD12 ILE A 12 15.042 -6.466 -6.308 1.00 63.22 H new ATOM 0 HD13 ILE A 12 13.885 -7.580 -7.074 1.00 63.22 H new ATOM 142 N PRO A 13 13.601 -9.917 -2.763 1.00 0.00 N ATOM 143 CA PRO A 13 14.362 -10.839 -1.915 1.00 63.22 C ATOM 144 C PRO A 13 13.991 -12.297 -2.165 1.00 43.14 C ATOM 145 O PRO A 13 14.811 -13.197 -1.981 1.00 75.54 O ATOM 146 CB PRO A 13 13.968 -10.423 -0.496 1.00 25.33 C ATOM 147 CG PRO A 13 12.626 -9.794 -0.644 1.00 22.20 C ATOM 148 CD PRO A 13 12.629 -9.125 -1.991 1.00 30.14 C ATOM 0 HA PRO A 13 15.433 -10.781 -2.109 1.00 63.22 H new ATOM 0 HB2 PRO A 13 13.930 -11.283 0.173 1.00 25.33 H new ATOM 0 HB3 PRO A 13 14.689 -9.723 -0.074 1.00 25.33 H new ATOM 0 HG2 PRO A 13 11.835 -10.542 -0.581 1.00 22.20 H new ATOM 0 HG3 PRO A 13 12.444 -9.071 0.151 1.00 22.20 H new ATOM 0 HD2 PRO A 13 11.641 -9.143 -2.451 1.00 30.14 H new ATOM 0 HD3 PRO A 13 12.929 -8.079 -1.920 1.00 30.14 H new ATOM 156 N LYS A 14 12.752 -12.523 -2.587 1.00 34.24 N ATOM 157 CA LYS A 14 12.272 -13.872 -2.864 1.00 55.43 C ATOM 158 C LYS A 14 13.172 -14.572 -3.877 1.00 21.12 C ATOM 159 O LYS A 14 13.449 -15.766 -3.755 1.00 22.11 O ATOM 160 CB LYS A 14 10.835 -13.826 -3.390 1.00 11.52 C ATOM 161 CG LYS A 14 9.910 -14.828 -2.722 1.00 24.44 C ATOM 162 CD LYS A 14 8.631 -15.023 -3.517 1.00 72.54 C ATOM 163 CE LYS A 14 7.533 -14.081 -3.048 1.00 21.24 C ATOM 164 NZ LYS A 14 6.876 -14.571 -1.804 1.00 43.01 N ATOM 0 H LYS A 14 12.061 -11.789 -2.745 1.00 34.24 H new ATOM 0 HA LYS A 14 12.294 -14.437 -1.932 1.00 55.43 H new ATOM 0 HB2 LYS A 14 10.436 -12.822 -3.244 1.00 11.52 H new ATOM 0 HB3 LYS A 14 10.844 -14.012 -4.464 1.00 11.52 H new ATOM 0 HG2 LYS A 14 10.423 -15.784 -2.617 1.00 24.44 H new ATOM 0 HG3 LYS A 14 9.666 -14.485 -1.717 1.00 24.44 H new ATOM 0 HD2 LYS A 14 8.830 -14.853 -4.575 1.00 72.54 H new ATOM 0 HD3 LYS A 14 8.294 -16.055 -3.418 1.00 72.54 H new ATOM 0 HE2 LYS A 14 7.955 -13.092 -2.871 1.00 21.24 H new ATOM 0 HE3 LYS A 14 6.786 -13.973 -3.835 1.00 21.24 H new ATOM 0 HZ1 LYS A 14 6.134 -13.902 -1.517 1.00 43.01 H new ATOM 0 HZ2 LYS A 14 6.452 -15.504 -1.980 1.00 43.01 H new ATOM 0 HZ3 LYS A 14 7.583 -14.650 -1.046 1.00 43.01 H new ATOM 178 N LEU A 15 13.627 -13.823 -4.875 1.00 3.33 N ATOM 179 CA LEU A 15 14.499 -14.372 -5.908 1.00 14.41 C ATOM 180 C LEU A 15 15.952 -14.385 -5.444 1.00 52.55 C ATOM 181 O LEU A 15 16.755 -15.193 -5.908 1.00 73.11 O ATOM 182 CB LEU A 15 14.370 -13.558 -7.197 1.00 13.22 C ATOM 183 CG LEU A 15 13.066 -13.736 -7.975 1.00 54.42 C ATOM 184 CD1 LEU A 15 12.650 -12.426 -8.626 1.00 53.41 C ATOM 185 CD2 LEU A 15 13.214 -14.830 -9.022 1.00 44.11 C ATOM 0 H LEU A 15 13.407 -12.834 -4.991 1.00 3.33 H new ATOM 0 HA LEU A 15 14.190 -15.399 -6.102 1.00 14.41 H new ATOM 0 HB2 LEU A 15 14.481 -12.502 -6.949 1.00 13.22 H new ATOM 0 HB3 LEU A 15 15.200 -13.820 -7.853 1.00 13.22 H new ATOM 0 HG LEU A 15 12.286 -14.034 -7.275 1.00 54.42 H new ATOM 0 HD11 LEU A 15 11.720 -12.572 -9.175 1.00 53.41 H new ATOM 0 HD12 LEU A 15 12.502 -11.668 -7.857 1.00 53.41 H new ATOM 0 HD13 LEU A 15 13.430 -12.098 -9.313 1.00 53.41 H new ATOM 0 HD21 LEU A 15 12.276 -14.943 -9.566 1.00 44.11 H new ATOM 0 HD22 LEU A 15 14.008 -14.561 -9.719 1.00 44.11 H new ATOM 0 HD23 LEU A 15 13.464 -15.771 -8.532 1.00 44.11 H new ATOM 197 N GLY A 16 16.282 -13.483 -4.524 1.00 63.42 N ATOM 198 CA GLY A 16 17.638 -13.410 -4.012 1.00 11.35 C ATOM 199 C GLY A 16 18.036 -14.654 -3.243 1.00 73.20 C ATOM 200 O GLY A 16 19.218 -14.982 -3.150 1.00 1.33 O ATOM 0 H GLY A 16 15.635 -12.803 -4.125 1.00 63.42 H new ATOM 0 HA2 GLY A 16 18.329 -13.263 -4.842 1.00 11.35 H new ATOM 0 HA3 GLY A 16 17.731 -12.540 -3.362 1.00 11.35 H new ATOM 204 N GLU A 17 17.046 -15.348 -2.690 1.00 73.21 N ATOM 205 CA GLU A 17 17.300 -16.562 -1.924 1.00 21.34 C ATOM 206 C GLU A 17 18.078 -17.578 -2.755 1.00 43.23 C ATOM 207 O GLU A 17 18.885 -18.344 -2.226 1.00 12.43 O ATOM 208 CB GLU A 17 15.982 -17.178 -1.449 1.00 61.02 C ATOM 209 CG GLU A 17 16.078 -17.849 -0.089 1.00 64.14 C ATOM 210 CD GLU A 17 16.383 -16.867 1.025 1.00 22.44 C ATOM 211 OE1 GLU A 17 16.310 -15.646 0.777 1.00 3.14 O ATOM 212 OE2 GLU A 17 16.694 -17.322 2.146 1.00 3.34 O ATOM 0 H GLU A 17 16.061 -15.090 -2.758 1.00 73.21 H new ATOM 0 HA GLU A 17 17.901 -16.293 -1.055 1.00 21.34 H new ATOM 0 HB2 GLU A 17 15.221 -16.399 -1.407 1.00 61.02 H new ATOM 0 HB3 GLU A 17 15.648 -17.911 -2.183 1.00 61.02 H new ATOM 0 HG2 GLU A 17 15.139 -18.359 0.128 1.00 64.14 H new ATOM 0 HG3 GLU A 17 16.856 -18.612 -0.119 1.00 64.14 H new ATOM 219 N LEU A 18 17.830 -17.579 -4.060 1.00 44.23 N ATOM 220 CA LEU A 18 18.507 -18.500 -4.967 1.00 32.21 C ATOM 221 C LEU A 18 19.809 -17.898 -5.484 1.00 3.33 C ATOM 222 O LEU A 18 20.679 -18.610 -5.988 1.00 35.24 O ATOM 223 CB LEU A 18 17.593 -18.853 -6.142 1.00 22.10 C ATOM 224 CG LEU A 18 16.563 -19.954 -5.885 1.00 4.34 C ATOM 225 CD1 LEU A 18 17.256 -21.261 -5.534 1.00 21.40 C ATOM 226 CD2 LEU A 18 15.607 -19.540 -4.775 1.00 61.43 C ATOM 0 H LEU A 18 17.165 -16.953 -4.514 1.00 44.23 H new ATOM 0 HA LEU A 18 18.744 -19.408 -4.413 1.00 32.21 H new ATOM 0 HB2 LEU A 18 17.062 -17.951 -6.447 1.00 22.10 H new ATOM 0 HB3 LEU A 18 18.217 -19.156 -6.983 1.00 22.10 H new ATOM 0 HG LEU A 18 15.986 -20.106 -6.797 1.00 4.34 H new ATOM 0 HD11 LEU A 18 16.508 -22.033 -5.354 1.00 21.40 H new ATOM 0 HD12 LEU A 18 17.900 -21.565 -6.360 1.00 21.40 H new ATOM 0 HD13 LEU A 18 17.858 -21.124 -4.636 1.00 21.40 H new ATOM 0 HD21 LEU A 18 14.881 -20.335 -4.605 1.00 61.43 H new ATOM 0 HD22 LEU A 18 16.169 -19.360 -3.859 1.00 61.43 H new ATOM 0 HD23 LEU A 18 15.085 -18.628 -5.065 1.00 61.43 H new ATOM 238 N LEU A 19 19.939 -16.582 -5.354 1.00 30.04 N ATOM 239 CA LEU A 19 21.137 -15.883 -5.805 1.00 40.04 C ATOM 240 C LEU A 19 22.215 -15.896 -4.726 1.00 72.41 C ATOM 241 O LEU A 19 23.390 -15.655 -5.004 1.00 73.31 O ATOM 242 CB LEU A 19 20.797 -14.441 -6.185 1.00 2.41 C ATOM 243 CG LEU A 19 20.395 -14.207 -7.642 1.00 3.35 C ATOM 244 CD1 LEU A 19 21.597 -14.369 -8.559 1.00 50.14 C ATOM 245 CD2 LEU A 19 19.280 -15.159 -8.047 1.00 30.44 C ATOM 0 H LEU A 19 19.229 -15.978 -4.940 1.00 30.04 H new ATOM 0 HA LEU A 19 21.522 -16.403 -6.682 1.00 40.04 H new ATOM 0 HB2 LEU A 19 19.983 -14.100 -5.545 1.00 2.41 H new ATOM 0 HB3 LEU A 19 21.661 -13.815 -5.962 1.00 2.41 H new ATOM 0 HG LEU A 19 20.026 -13.186 -7.738 1.00 3.35 H new ATOM 0 HD11 LEU A 19 21.292 -14.199 -9.592 1.00 50.14 H new ATOM 0 HD12 LEU A 19 22.365 -13.646 -8.283 1.00 50.14 H new ATOM 0 HD13 LEU A 19 21.997 -15.378 -8.460 1.00 50.14 H new ATOM 0 HD21 LEU A 19 19.007 -14.978 -9.087 1.00 30.44 H new ATOM 0 HD22 LEU A 19 19.622 -16.188 -7.935 1.00 30.44 H new ATOM 0 HD23 LEU A 19 18.411 -14.994 -7.410 1.00 30.44 H new ATOM 257 N VAL A 20 21.807 -16.182 -3.494 1.00 23.05 N ATOM 258 CA VAL A 20 22.738 -16.231 -2.373 1.00 4.45 C ATOM 259 C VAL A 20 23.499 -17.552 -2.347 1.00 1.52 C ATOM 260 O VAL A 20 24.571 -17.651 -1.751 1.00 33.41 O ATOM 261 CB VAL A 20 22.009 -16.045 -1.029 1.00 0.43 C ATOM 262 CG1 VAL A 20 21.203 -14.755 -1.033 1.00 13.23 C ATOM 263 CG2 VAL A 20 21.115 -17.241 -0.738 1.00 4.21 C ATOM 0 H VAL A 20 20.838 -16.383 -3.247 1.00 23.05 H new ATOM 0 HA VAL A 20 23.443 -15.412 -2.512 1.00 4.45 H new ATOM 0 HB VAL A 20 22.755 -15.977 -0.237 1.00 0.43 H new ATOM 0 HG11 VAL A 20 20.695 -14.640 -0.076 1.00 13.23 H new ATOM 0 HG12 VAL A 20 21.871 -13.909 -1.193 1.00 13.23 H new ATOM 0 HG13 VAL A 20 20.464 -14.790 -1.834 1.00 13.23 H new ATOM 0 HG21 VAL A 20 20.608 -17.093 0.215 1.00 4.21 H new ATOM 0 HG22 VAL A 20 20.374 -17.343 -1.531 1.00 4.21 H new ATOM 0 HG23 VAL A 20 21.722 -18.145 -0.689 1.00 4.21 H new ATOM 273 N GLY A 21 22.937 -18.565 -2.999 1.00 12.03 N ATOM 274 CA GLY A 21 23.576 -19.867 -3.039 1.00 21.23 C ATOM 275 C GLY A 21 22.925 -20.862 -2.098 1.00 52.13 C ATOM 276 O GLY A 21 23.548 -21.842 -1.694 1.00 24.52 O ATOM 0 H GLY A 21 22.051 -18.507 -3.500 1.00 12.03 H new ATOM 0 HA2 GLY A 21 23.538 -20.256 -4.057 1.00 21.23 H new ATOM 0 HA3 GLY A 21 24.629 -19.760 -2.778 1.00 21.23 H new ATOM 280 N GLU A 22 21.668 -20.608 -1.749 1.00 13.24 N ATOM 281 CA GLU A 22 20.933 -21.488 -0.848 1.00 23.25 C ATOM 282 C GLU A 22 19.990 -22.400 -1.627 1.00 24.52 C ATOM 283 O GLU A 22 18.781 -22.173 -1.667 1.00 0.14 O ATOM 284 CB GLU A 22 20.140 -20.666 0.170 1.00 31.12 C ATOM 285 CG GLU A 22 20.912 -20.364 1.443 1.00 2.23 C ATOM 286 CD GLU A 22 21.102 -21.590 2.315 1.00 1.34 C ATOM 287 OE1 GLU A 22 22.071 -22.342 2.080 1.00 53.30 O ATOM 288 OE2 GLU A 22 20.281 -21.796 3.234 1.00 65.41 O ATOM 0 H GLU A 22 21.138 -19.801 -2.076 1.00 13.24 H new ATOM 0 HA GLU A 22 21.656 -22.109 -0.319 1.00 23.25 H new ATOM 0 HB2 GLU A 22 19.836 -19.727 -0.292 1.00 31.12 H new ATOM 0 HB3 GLU A 22 19.228 -21.204 0.427 1.00 31.12 H new ATOM 0 HG2 GLU A 22 21.887 -19.953 1.183 1.00 2.23 H new ATOM 0 HG3 GLU A 22 20.384 -19.597 2.010 1.00 2.23 H new ATOM 295 N TYR A 23 20.553 -23.433 -2.245 1.00 52.23 N ATOM 296 CA TYR A 23 19.764 -24.378 -3.026 1.00 71.12 C ATOM 297 C TYR A 23 20.601 -25.591 -3.421 1.00 41.10 C ATOM 298 O TYR A 23 21.830 -25.561 -3.354 1.00 41.34 O ATOM 299 CB TYR A 23 19.208 -23.698 -4.279 1.00 21.52 C ATOM 300 CG TYR A 23 20.275 -23.101 -5.167 1.00 44.24 C ATOM 301 CD1 TYR A 23 20.793 -21.837 -4.911 1.00 61.25 C ATOM 302 CD2 TYR A 23 20.767 -23.800 -6.263 1.00 32.52 C ATOM 303 CE1 TYR A 23 21.768 -21.287 -5.721 1.00 73.13 C ATOM 304 CE2 TYR A 23 21.742 -23.259 -7.077 1.00 45.22 C ATOM 305 CZ TYR A 23 22.239 -22.002 -6.803 1.00 3.33 C ATOM 306 OH TYR A 23 23.211 -21.458 -7.611 1.00 1.21 O ATOM 0 H TYR A 23 21.552 -23.637 -2.220 1.00 52.23 H new ATOM 0 HA TYR A 23 18.934 -24.718 -2.407 1.00 71.12 H new ATOM 0 HB2 TYR A 23 18.635 -24.426 -4.853 1.00 21.52 H new ATOM 0 HB3 TYR A 23 18.515 -22.912 -3.979 1.00 21.52 H new ATOM 0 HD1 TYR A 23 20.427 -21.275 -4.064 1.00 61.25 H new ATOM 0 HD2 TYR A 23 20.380 -24.784 -6.482 1.00 32.52 H new ATOM 0 HE1 TYR A 23 22.159 -20.303 -5.508 1.00 73.13 H new ATOM 0 HE2 TYR A 23 22.114 -23.817 -7.924 1.00 45.22 H new ATOM 0 HH TYR A 23 23.433 -22.090 -8.327 1.00 1.21 H new ATOM 316 N LYS A 24 19.926 -26.658 -3.833 1.00 61.54 N ATOM 317 CA LYS A 24 20.605 -27.883 -4.242 1.00 13.32 C ATOM 318 C LYS A 24 20.524 -28.071 -5.753 1.00 65.03 C ATOM 319 O LYS A 24 19.960 -29.053 -6.238 1.00 14.42 O ATOM 320 CB LYS A 24 19.990 -29.092 -3.533 1.00 51.31 C ATOM 321 CG LYS A 24 20.757 -30.383 -3.757 1.00 65.20 C ATOM 322 CD LYS A 24 21.869 -30.555 -2.736 1.00 24.22 C ATOM 323 CE LYS A 24 23.222 -30.166 -3.313 1.00 54.12 C ATOM 324 NZ LYS A 24 23.827 -31.273 -4.104 1.00 75.12 N ATOM 0 H LYS A 24 18.909 -26.700 -3.893 1.00 61.54 H new ATOM 0 HA LYS A 24 21.654 -27.799 -3.960 1.00 13.32 H new ATOM 0 HB2 LYS A 24 19.941 -28.889 -2.463 1.00 51.31 H new ATOM 0 HB3 LYS A 24 18.965 -29.223 -3.880 1.00 51.31 H new ATOM 0 HG2 LYS A 24 20.072 -31.229 -3.697 1.00 65.20 H new ATOM 0 HG3 LYS A 24 21.180 -30.386 -4.761 1.00 65.20 H new ATOM 0 HD2 LYS A 24 21.657 -29.943 -1.859 1.00 24.22 H new ATOM 0 HD3 LYS A 24 21.900 -31.592 -2.401 1.00 24.22 H new ATOM 0 HE2 LYS A 24 23.107 -29.287 -3.947 1.00 54.12 H new ATOM 0 HE3 LYS A 24 23.896 -29.888 -2.503 1.00 54.12 H new ATOM 0 HZ1 LYS A 24 24.748 -30.968 -4.480 1.00 75.12 H new ATOM 0 HZ2 LYS A 24 23.960 -32.104 -3.493 1.00 75.12 H new ATOM 0 HZ3 LYS A 24 23.196 -31.521 -4.893 1.00 75.12 H new ATOM 338 N LEU A 25 21.094 -27.126 -6.494 1.00 32.34 N ATOM 339 CA LEU A 25 21.088 -27.189 -7.951 1.00 61.00 C ATOM 340 C LEU A 25 22.420 -26.712 -8.522 1.00 32.32 C ATOM 341 O LEU A 25 23.280 -26.219 -7.791 1.00 55.01 O ATOM 342 CB LEU A 25 19.946 -26.340 -8.513 1.00 62.52 C ATOM 343 CG LEU A 25 18.584 -26.518 -7.841 1.00 3.31 C ATOM 344 CD1 LEU A 25 17.672 -25.345 -8.166 1.00 71.42 C ATOM 345 CD2 LEU A 25 17.944 -27.830 -8.271 1.00 1.43 C ATOM 0 H LEU A 25 21.566 -26.308 -6.109 1.00 32.34 H new ATOM 0 HA LEU A 25 20.939 -28.228 -8.245 1.00 61.00 H new ATOM 0 HB2 LEU A 25 20.230 -25.290 -8.440 1.00 62.52 H new ATOM 0 HB3 LEU A 25 19.838 -26.568 -9.573 1.00 62.52 H new ATOM 0 HG LEU A 25 18.733 -26.547 -6.762 1.00 3.31 H new ATOM 0 HD11 LEU A 25 16.707 -25.489 -7.680 1.00 71.42 H new ATOM 0 HD12 LEU A 25 18.126 -24.421 -7.807 1.00 71.42 H new ATOM 0 HD13 LEU A 25 17.529 -25.283 -9.245 1.00 71.42 H new ATOM 0 HD21 LEU A 25 16.976 -27.940 -7.783 1.00 1.43 H new ATOM 0 HD22 LEU A 25 17.807 -27.831 -9.352 1.00 1.43 H new ATOM 0 HD23 LEU A 25 18.590 -28.660 -7.986 1.00 1.43 H new ATOM 357 N HIS A 26 22.583 -26.861 -9.833 1.00 2.03 N ATOM 358 CA HIS A 26 23.810 -26.443 -10.502 1.00 54.25 C ATOM 359 C HIS A 26 23.806 -24.938 -10.753 1.00 10.35 C ATOM 360 O HIS A 26 22.825 -24.252 -10.465 1.00 33.01 O ATOM 361 CB HIS A 26 23.974 -27.191 -11.826 1.00 35.02 C ATOM 362 CG HIS A 26 24.486 -28.589 -11.664 1.00 31.01 C ATOM 363 ND1 HIS A 26 24.177 -29.383 -10.580 1.00 31.03 N ATOM 364 CD2 HIS A 26 25.289 -29.335 -12.458 1.00 4.13 C ATOM 365 CE1 HIS A 26 24.770 -30.556 -10.713 1.00 34.23 C ATOM 366 NE2 HIS A 26 25.451 -30.553 -11.844 1.00 54.05 N ATOM 0 H HIS A 26 21.882 -27.267 -10.452 1.00 2.03 H new ATOM 0 HA HIS A 26 24.650 -26.683 -9.850 1.00 54.25 H new ATOM 0 HB2 HIS A 26 23.012 -27.222 -12.338 1.00 35.02 H new ATOM 0 HB3 HIS A 26 24.658 -26.634 -12.466 1.00 35.02 H new ATOM 0 HD2 HIS A 26 25.722 -29.030 -13.399 1.00 4.13 H new ATOM 0 HE1 HIS A 26 24.708 -31.378 -10.015 1.00 34.23 H new ATOM 0 HE2 HIS A 26 26.007 -31.329 -12.203 1.00 54.05 H new ATOM 374 N LYS A 27 24.910 -24.429 -11.289 1.00 61.42 N ATOM 375 CA LYS A 27 25.035 -23.006 -11.579 1.00 3.11 C ATOM 376 C LYS A 27 24.150 -22.610 -12.757 1.00 22.45 C ATOM 377 O LYS A 27 23.757 -21.452 -12.889 1.00 21.24 O ATOM 378 CB LYS A 27 26.493 -22.652 -11.882 1.00 22.35 C ATOM 379 CG LYS A 27 27.417 -22.807 -10.686 1.00 64.32 C ATOM 380 CD LYS A 27 27.494 -21.527 -9.871 1.00 62.21 C ATOM 381 CE LYS A 27 28.723 -21.510 -8.975 1.00 30.12 C ATOM 382 NZ LYS A 27 28.652 -20.425 -7.958 1.00 5.24 N ATOM 0 H LYS A 27 25.732 -24.982 -11.532 1.00 61.42 H new ATOM 0 HA LYS A 27 24.708 -22.452 -10.699 1.00 3.11 H new ATOM 0 HB2 LYS A 27 26.852 -23.287 -12.692 1.00 22.35 H new ATOM 0 HB3 LYS A 27 26.542 -21.623 -12.238 1.00 22.35 H new ATOM 0 HG2 LYS A 27 27.062 -23.621 -10.054 1.00 64.32 H new ATOM 0 HG3 LYS A 27 28.415 -23.082 -11.029 1.00 64.32 H new ATOM 0 HD2 LYS A 27 27.520 -20.668 -10.542 1.00 62.21 H new ATOM 0 HD3 LYS A 27 26.596 -21.428 -9.261 1.00 62.21 H new ATOM 0 HE2 LYS A 27 28.820 -22.473 -8.473 1.00 30.12 H new ATOM 0 HE3 LYS A 27 29.616 -21.378 -9.586 1.00 30.12 H new ATOM 0 HZ1 LYS A 27 29.508 -20.447 -7.367 1.00 5.24 H new ATOM 0 HZ2 LYS A 27 28.585 -19.504 -8.437 1.00 5.24 H new ATOM 0 HZ3 LYS A 27 27.814 -20.565 -7.359 1.00 5.24 H new ATOM 396 N GLY A 28 23.839 -23.582 -13.610 1.00 10.42 N ATOM 397 CA GLY A 28 23.001 -23.314 -14.764 1.00 62.53 C ATOM 398 C GLY A 28 21.555 -23.064 -14.386 1.00 1.54 C ATOM 399 O GLY A 28 20.816 -22.414 -15.125 1.00 74.24 O ATOM 0 H GLY A 28 24.152 -24.549 -13.522 1.00 10.42 H new ATOM 0 HA2 GLY A 28 23.389 -22.446 -15.297 1.00 62.53 H new ATOM 0 HA3 GLY A 28 23.053 -24.159 -15.451 1.00 62.53 H new ATOM 403 N VAL A 29 21.149 -23.581 -13.230 1.00 41.42 N ATOM 404 CA VAL A 29 19.781 -23.410 -12.755 1.00 5.33 C ATOM 405 C VAL A 29 19.563 -22.006 -12.201 1.00 64.02 C ATOM 406 O VAL A 29 18.615 -21.318 -12.579 1.00 11.22 O ATOM 407 CB VAL A 29 19.434 -24.440 -11.664 1.00 12.34 C ATOM 408 CG1 VAL A 29 18.015 -24.224 -11.158 1.00 64.21 C ATOM 409 CG2 VAL A 29 19.611 -25.855 -12.192 1.00 21.22 C ATOM 0 H VAL A 29 21.748 -24.121 -12.606 1.00 41.42 H new ATOM 0 HA VAL A 29 19.126 -23.565 -13.612 1.00 5.33 H new ATOM 0 HB VAL A 29 20.118 -24.301 -10.827 1.00 12.34 H new ATOM 0 HG11 VAL A 29 17.787 -24.961 -10.388 1.00 64.21 H new ATOM 0 HG12 VAL A 29 17.927 -23.222 -10.739 1.00 64.21 H new ATOM 0 HG13 VAL A 29 17.313 -24.335 -11.985 1.00 64.21 H new ATOM 0 HG21 VAL A 29 19.362 -26.570 -11.408 1.00 21.22 H new ATOM 0 HG22 VAL A 29 18.952 -26.009 -13.047 1.00 21.22 H new ATOM 0 HG23 VAL A 29 20.646 -26.001 -12.500 1.00 21.22 H new ATOM 419 N LYS A 30 20.448 -21.586 -11.304 1.00 4.04 N ATOM 420 CA LYS A 30 20.355 -20.263 -10.698 1.00 5.02 C ATOM 421 C LYS A 30 20.319 -19.176 -11.767 1.00 74.14 C ATOM 422 O LYS A 30 19.765 -18.098 -11.553 1.00 10.43 O ATOM 423 CB LYS A 30 21.538 -20.027 -9.756 1.00 2.52 C ATOM 424 CG LYS A 30 22.891 -20.195 -10.425 1.00 5.33 C ATOM 425 CD LYS A 30 23.975 -19.420 -9.693 1.00 61.51 C ATOM 426 CE LYS A 30 24.159 -18.029 -10.280 1.00 31.31 C ATOM 427 NZ LYS A 30 24.743 -17.082 -9.290 1.00 34.42 N ATOM 0 H LYS A 30 21.239 -22.143 -10.980 1.00 4.04 H new ATOM 0 HA LYS A 30 19.428 -20.217 -10.127 1.00 5.02 H new ATOM 0 HB2 LYS A 30 21.468 -19.020 -9.344 1.00 2.52 H new ATOM 0 HB3 LYS A 30 21.468 -20.720 -8.918 1.00 2.52 H new ATOM 0 HG2 LYS A 30 23.155 -21.252 -10.454 1.00 5.33 H new ATOM 0 HG3 LYS A 30 22.832 -19.853 -11.458 1.00 5.33 H new ATOM 0 HD2 LYS A 30 23.716 -19.339 -8.637 1.00 61.51 H new ATOM 0 HD3 LYS A 30 24.916 -19.967 -9.749 1.00 61.51 H new ATOM 0 HE2 LYS A 30 24.808 -18.087 -11.154 1.00 31.31 H new ATOM 0 HE3 LYS A 30 23.196 -17.649 -10.622 1.00 31.31 H new ATOM 0 HZ1 LYS A 30 24.853 -16.145 -9.728 1.00 34.42 H new ATOM 0 HZ2 LYS A 30 24.112 -17.007 -8.467 1.00 34.42 H new ATOM 0 HZ3 LYS A 30 25.673 -17.431 -8.982 1.00 34.42 H new ATOM 441 N LYS A 31 20.910 -19.467 -12.921 1.00 24.32 N ATOM 442 CA LYS A 31 20.943 -18.517 -14.026 1.00 3.42 C ATOM 443 C LYS A 31 19.536 -18.046 -14.381 1.00 64.20 C ATOM 444 O LYS A 31 19.349 -16.932 -14.867 1.00 12.20 O ATOM 445 CB LYS A 31 21.605 -19.150 -15.251 1.00 62.45 C ATOM 446 CG LYS A 31 23.122 -19.169 -15.182 1.00 24.11 C ATOM 447 CD LYS A 31 23.708 -17.783 -15.397 1.00 74.42 C ATOM 448 CE LYS A 31 23.592 -17.349 -16.850 1.00 70.23 C ATOM 449 NZ LYS A 31 24.572 -16.281 -17.190 1.00 2.35 N ATOM 0 H LYS A 31 21.373 -20.355 -13.115 1.00 24.32 H new ATOM 0 HA LYS A 31 21.528 -17.653 -13.711 1.00 3.42 H new ATOM 0 HB2 LYS A 31 21.242 -20.172 -15.362 1.00 62.45 H new ATOM 0 HB3 LYS A 31 21.297 -18.604 -16.143 1.00 62.45 H new ATOM 0 HG2 LYS A 31 23.438 -19.552 -14.212 1.00 24.11 H new ATOM 0 HG3 LYS A 31 23.513 -19.851 -15.937 1.00 24.11 H new ATOM 0 HD2 LYS A 31 23.192 -17.065 -14.759 1.00 74.42 H new ATOM 0 HD3 LYS A 31 24.756 -17.779 -15.097 1.00 74.42 H new ATOM 0 HE2 LYS A 31 23.752 -18.209 -17.500 1.00 70.23 H new ATOM 0 HE3 LYS A 31 22.581 -16.989 -17.042 1.00 70.23 H new ATOM 0 HZ1 LYS A 31 24.461 -16.013 -18.189 1.00 2.35 H new ATOM 0 HZ2 LYS A 31 24.403 -15.450 -16.588 1.00 2.35 H new ATOM 0 HZ3 LYS A 31 25.538 -16.633 -17.032 1.00 2.35 H new ATOM 463 N ASN A 32 18.551 -18.903 -14.134 1.00 12.14 N ATOM 464 CA ASN A 32 17.161 -18.574 -14.427 1.00 14.13 C ATOM 465 C ASN A 32 16.597 -17.613 -13.384 1.00 24.43 C ATOM 466 O ASN A 32 15.760 -16.766 -13.694 1.00 52.21 O ATOM 467 CB ASN A 32 16.313 -19.847 -14.475 1.00 12.32 C ATOM 468 CG ASN A 32 14.829 -19.550 -14.579 1.00 3.44 C ATOM 469 OD1 ASN A 32 14.265 -19.522 -15.673 1.00 25.23 O ATOM 470 ND2 ASN A 32 14.190 -19.325 -13.437 1.00 33.03 N ATOM 0 H ASN A 32 18.689 -19.830 -13.732 1.00 12.14 H new ATOM 0 HA ASN A 32 17.127 -18.086 -15.401 1.00 14.13 H new ATOM 0 HB2 ASN A 32 16.620 -20.453 -15.327 1.00 12.32 H new ATOM 0 HB3 ASN A 32 16.500 -20.439 -13.579 1.00 12.32 H new ATOM 0 HD21 ASN A 32 13.191 -19.119 -13.444 1.00 33.03 H new ATOM 0 HD22 ASN A 32 14.698 -19.358 -12.553 1.00 33.03 H new ATOM 477 N ILE A 33 17.063 -17.752 -12.147 1.00 62.01 N ATOM 478 CA ILE A 33 16.607 -16.896 -11.059 1.00 44.22 C ATOM 479 C ILE A 33 17.194 -15.493 -11.181 1.00 35.20 C ATOM 480 O ILE A 33 16.466 -14.502 -11.151 1.00 54.45 O ATOM 481 CB ILE A 33 16.986 -17.481 -9.686 1.00 3.22 C ATOM 482 CG1 ILE A 33 16.591 -18.957 -9.609 1.00 40.13 C ATOM 483 CG2 ILE A 33 16.319 -16.690 -8.571 1.00 11.42 C ATOM 484 CD1 ILE A 33 15.118 -19.201 -9.849 1.00 73.14 C ATOM 0 H ILE A 33 17.756 -18.449 -11.874 1.00 62.01 H new ATOM 0 HA ILE A 33 15.521 -16.841 -11.134 1.00 44.22 H new ATOM 0 HB ILE A 33 18.066 -17.407 -9.562 1.00 3.22 H new ATOM 0 HG12 ILE A 33 17.168 -19.518 -10.344 1.00 40.13 H new ATOM 0 HG13 ILE A 33 16.860 -19.346 -8.627 1.00 40.13 H new ATOM 0 HG21 ILE A 33 16.597 -17.116 -7.607 1.00 11.42 H new ATOM 0 HG22 ILE A 33 16.645 -15.651 -8.616 1.00 11.42 H new ATOM 0 HG23 ILE A 33 15.236 -16.736 -8.690 1.00 11.42 H new ATOM 0 HD11 ILE A 33 14.910 -20.269 -9.779 1.00 73.14 H new ATOM 0 HD12 ILE A 33 14.534 -18.668 -9.099 1.00 73.14 H new ATOM 0 HD13 ILE A 33 14.847 -18.843 -10.842 1.00 73.14 H new ATOM 496 N GLU A 34 18.514 -15.419 -11.320 1.00 34.33 N ATOM 497 CA GLU A 34 19.197 -14.138 -11.447 1.00 50.52 C ATOM 498 C GLU A 34 18.586 -13.305 -12.571 1.00 4.22 C ATOM 499 O GLU A 34 18.558 -12.076 -12.502 1.00 53.00 O ATOM 500 CB GLU A 34 20.689 -14.354 -11.711 1.00 13.34 C ATOM 501 CG GLU A 34 20.993 -14.854 -13.113 1.00 0.14 C ATOM 502 CD GLU A 34 22.481 -14.974 -13.379 1.00 50.01 C ATOM 503 OE1 GLU A 34 23.194 -15.533 -12.519 1.00 73.23 O ATOM 504 OE2 GLU A 34 22.933 -14.509 -14.446 1.00 54.12 O ATOM 0 H GLU A 34 19.131 -16.231 -11.347 1.00 34.33 H new ATOM 0 HA GLU A 34 19.076 -13.596 -10.509 1.00 50.52 H new ATOM 0 HB2 GLU A 34 21.218 -13.415 -11.547 1.00 13.34 H new ATOM 0 HB3 GLU A 34 21.078 -15.070 -10.987 1.00 13.34 H new ATOM 0 HG2 GLU A 34 20.522 -15.826 -13.258 1.00 0.14 H new ATOM 0 HG3 GLU A 34 20.551 -14.174 -13.841 1.00 0.14 H new ATOM 511 N ASP A 35 18.100 -13.983 -13.604 1.00 70.04 N ATOM 512 CA ASP A 35 17.489 -13.307 -14.743 1.00 63.22 C ATOM 513 C ASP A 35 16.158 -12.675 -14.350 1.00 11.21 C ATOM 514 O ASP A 35 15.895 -11.512 -14.661 1.00 34.43 O ATOM 515 CB ASP A 35 17.280 -14.291 -15.895 1.00 62.23 C ATOM 516 CG ASP A 35 16.923 -13.595 -17.194 1.00 12.13 C ATOM 517 OD1 ASP A 35 15.727 -13.299 -17.398 1.00 41.20 O ATOM 518 OD2 ASP A 35 17.839 -13.347 -18.006 1.00 54.10 O ATOM 0 H ASP A 35 18.117 -15.000 -13.677 1.00 70.04 H new ATOM 0 HA ASP A 35 18.164 -12.516 -15.069 1.00 63.22 H new ATOM 0 HB2 ASP A 35 18.188 -14.877 -16.038 1.00 62.23 H new ATOM 0 HB3 ASP A 35 16.487 -14.991 -15.632 1.00 62.23 H new ATOM 523 N LEU A 36 15.321 -13.447 -13.666 1.00 23.32 N ATOM 524 CA LEU A 36 14.016 -12.963 -13.230 1.00 73.44 C ATOM 525 C LEU A 36 14.159 -11.718 -12.361 1.00 53.15 C ATOM 526 O LEU A 36 13.543 -10.686 -12.631 1.00 13.21 O ATOM 527 CB LEU A 36 13.277 -14.057 -12.457 1.00 13.31 C ATOM 528 CG LEU A 36 12.369 -14.967 -13.284 1.00 73.43 C ATOM 529 CD1 LEU A 36 11.969 -16.195 -12.481 1.00 15.24 C ATOM 530 CD2 LEU A 36 11.135 -14.208 -13.752 1.00 24.41 C ATOM 0 H LEU A 36 15.523 -14.411 -13.401 1.00 23.32 H new ATOM 0 HA LEU A 36 13.439 -12.700 -14.116 1.00 73.44 H new ATOM 0 HB2 LEU A 36 14.016 -14.678 -11.950 1.00 13.31 H new ATOM 0 HB3 LEU A 36 12.674 -13.583 -11.683 1.00 13.31 H new ATOM 0 HG LEU A 36 12.922 -15.298 -14.163 1.00 73.43 H new ATOM 0 HD11 LEU A 36 11.323 -16.831 -13.086 1.00 15.24 H new ATOM 0 HD12 LEU A 36 12.863 -16.751 -12.197 1.00 15.24 H new ATOM 0 HD13 LEU A 36 11.435 -15.884 -11.583 1.00 15.24 H new ATOM 0 HD21 LEU A 36 10.500 -14.872 -14.339 1.00 24.41 H new ATOM 0 HD22 LEU A 36 10.580 -13.847 -12.886 1.00 24.41 H new ATOM 0 HD23 LEU A 36 11.440 -13.361 -14.366 1.00 24.41 H new ATOM 542 N LEU A 37 14.976 -11.821 -11.319 1.00 42.45 N ATOM 543 CA LEU A 37 15.203 -10.702 -10.411 1.00 54.44 C ATOM 544 C LEU A 37 15.760 -9.496 -11.161 1.00 63.03 C ATOM 545 O LEU A 37 15.444 -8.350 -10.840 1.00 72.41 O ATOM 546 CB LEU A 37 16.164 -11.112 -9.295 1.00 4.31 C ATOM 547 CG LEU A 37 16.646 -9.987 -8.377 1.00 63.44 C ATOM 548 CD1 LEU A 37 15.508 -9.489 -7.500 1.00 60.43 C ATOM 549 CD2 LEU A 37 17.813 -10.460 -7.523 1.00 3.24 C ATOM 0 H LEU A 37 15.492 -12.668 -11.082 1.00 42.45 H new ATOM 0 HA LEU A 37 14.245 -10.422 -9.972 1.00 54.44 H new ATOM 0 HB2 LEU A 37 15.675 -11.870 -8.682 1.00 4.31 H new ATOM 0 HB3 LEU A 37 17.036 -11.583 -9.749 1.00 4.31 H new ATOM 0 HG LEU A 37 16.988 -9.158 -8.997 1.00 63.44 H new ATOM 0 HD11 LEU A 37 15.870 -8.689 -6.854 1.00 60.43 H new ATOM 0 HD12 LEU A 37 14.702 -9.111 -8.129 1.00 60.43 H new ATOM 0 HD13 LEU A 37 15.135 -10.310 -6.887 1.00 60.43 H new ATOM 0 HD21 LEU A 37 18.143 -9.647 -6.876 1.00 3.24 H new ATOM 0 HD22 LEU A 37 17.497 -11.305 -6.911 1.00 3.24 H new ATOM 0 HD23 LEU A 37 18.636 -10.767 -8.169 1.00 3.24 H new ATOM 561 N LYS A 38 16.591 -9.762 -12.164 1.00 12.23 N ATOM 562 CA LYS A 38 17.191 -8.700 -12.963 1.00 33.00 C ATOM 563 C LYS A 38 16.116 -7.807 -13.576 1.00 25.23 C ATOM 564 O LYS A 38 16.292 -6.594 -13.681 1.00 51.13 O ATOM 565 CB LYS A 38 18.064 -9.297 -14.069 1.00 22.34 C ATOM 566 CG LYS A 38 18.940 -8.274 -14.771 1.00 72.33 C ATOM 567 CD LYS A 38 20.228 -8.899 -15.280 1.00 40.35 C ATOM 568 CE LYS A 38 20.986 -7.947 -16.194 1.00 34.31 C ATOM 569 NZ LYS A 38 21.679 -6.876 -15.427 1.00 11.15 N ATOM 0 H LYS A 38 16.864 -10.704 -12.443 1.00 12.23 H new ATOM 0 HA LYS A 38 17.813 -8.092 -12.306 1.00 33.00 H new ATOM 0 HB2 LYS A 38 18.698 -10.073 -13.641 1.00 22.34 H new ATOM 0 HB3 LYS A 38 17.422 -9.780 -14.806 1.00 22.34 H new ATOM 0 HG2 LYS A 38 18.392 -7.836 -15.606 1.00 72.33 H new ATOM 0 HG3 LYS A 38 19.176 -7.462 -14.083 1.00 72.33 H new ATOM 0 HD2 LYS A 38 20.859 -9.174 -14.435 1.00 40.35 H new ATOM 0 HD3 LYS A 38 19.999 -9.818 -15.819 1.00 40.35 H new ATOM 0 HE2 LYS A 38 21.717 -8.508 -16.776 1.00 34.31 H new ATOM 0 HE3 LYS A 38 20.292 -7.495 -16.903 1.00 34.31 H new ATOM 0 HZ1 LYS A 38 22.184 -6.249 -16.085 1.00 11.15 H new ATOM 0 HZ2 LYS A 38 20.979 -6.325 -14.891 1.00 11.15 H new ATOM 0 HZ3 LYS A 38 22.359 -7.306 -14.768 1.00 11.15 H new ATOM 583 N GLU A 39 15.005 -8.416 -13.976 1.00 72.24 N ATOM 584 CA GLU A 39 13.903 -7.675 -14.578 1.00 14.33 C ATOM 585 C GLU A 39 13.115 -6.914 -13.515 1.00 52.10 C ATOM 586 O GLU A 39 12.942 -5.698 -13.606 1.00 2.42 O ATOM 587 CB GLU A 39 12.973 -8.625 -15.335 1.00 55.20 C ATOM 588 CG GLU A 39 13.706 -9.607 -16.233 1.00 32.44 C ATOM 589 CD GLU A 39 14.823 -8.954 -17.022 1.00 64.22 C ATOM 590 OE1 GLU A 39 14.646 -7.798 -17.458 1.00 14.43 O ATOM 591 OE2 GLU A 39 15.877 -9.601 -17.204 1.00 54.52 O ATOM 0 H GLU A 39 14.844 -9.420 -13.894 1.00 72.24 H new ATOM 0 HA GLU A 39 14.324 -6.955 -15.280 1.00 14.33 H new ATOM 0 HB2 GLU A 39 12.373 -9.182 -14.616 1.00 55.20 H new ATOM 0 HB3 GLU A 39 12.282 -8.038 -15.940 1.00 55.20 H new ATOM 0 HG2 GLU A 39 14.118 -10.412 -15.625 1.00 32.44 H new ATOM 0 HG3 GLU A 39 12.996 -10.062 -16.924 1.00 32.44 H new ATOM 598 N LEU A 40 12.639 -7.638 -12.509 1.00 33.44 N ATOM 599 CA LEU A 40 11.868 -7.033 -11.428 1.00 23.24 C ATOM 600 C LEU A 40 12.642 -5.888 -10.783 1.00 0.25 C ATOM 601 O LEU A 40 12.058 -4.889 -10.361 1.00 61.21 O ATOM 602 CB LEU A 40 11.518 -8.085 -10.373 1.00 43.14 C ATOM 603 CG LEU A 40 10.947 -9.401 -10.902 1.00 62.12 C ATOM 604 CD1 LEU A 40 10.531 -10.303 -9.751 1.00 20.22 C ATOM 605 CD2 LEU A 40 9.769 -9.137 -11.828 1.00 70.44 C ATOM 0 H LEU A 40 12.773 -8.645 -12.419 1.00 33.44 H new ATOM 0 HA LEU A 40 10.947 -6.632 -11.852 1.00 23.24 H new ATOM 0 HB2 LEU A 40 12.417 -8.307 -9.798 1.00 43.14 H new ATOM 0 HB3 LEU A 40 10.796 -7.651 -9.681 1.00 43.14 H new ATOM 0 HG LEU A 40 11.725 -9.909 -11.472 1.00 62.12 H new ATOM 0 HD11 LEU A 40 10.127 -11.235 -10.147 1.00 20.22 H new ATOM 0 HD12 LEU A 40 11.398 -10.519 -9.127 1.00 20.22 H new ATOM 0 HD13 LEU A 40 9.769 -9.802 -9.153 1.00 20.22 H new ATOM 0 HD21 LEU A 40 9.375 -10.085 -12.195 1.00 70.44 H new ATOM 0 HD22 LEU A 40 8.989 -8.607 -11.282 1.00 70.44 H new ATOM 0 HD23 LEU A 40 10.098 -8.530 -12.671 1.00 70.44 H new ATOM 617 N LYS A 41 13.960 -6.038 -10.710 1.00 62.03 N ATOM 618 CA LYS A 41 14.816 -5.016 -10.120 1.00 41.32 C ATOM 619 C LYS A 41 14.612 -3.671 -10.810 1.00 13.52 C ATOM 620 O LYS A 41 14.508 -2.634 -10.154 1.00 3.53 O ATOM 621 CB LYS A 41 16.285 -5.433 -10.218 1.00 3.32 C ATOM 622 CG LYS A 41 16.778 -6.212 -9.011 1.00 33.32 C ATOM 623 CD LYS A 41 17.193 -5.286 -7.880 1.00 53.00 C ATOM 624 CE LYS A 41 18.681 -4.975 -7.932 1.00 54.43 C ATOM 625 NZ LYS A 41 19.159 -4.339 -6.674 1.00 13.45 N ATOM 0 H LYS A 41 14.459 -6.859 -11.053 1.00 62.03 H new ATOM 0 HA LYS A 41 14.543 -4.911 -9.070 1.00 41.32 H new ATOM 0 HB2 LYS A 41 16.423 -6.040 -11.113 1.00 3.32 H new ATOM 0 HB3 LYS A 41 16.900 -4.541 -10.340 1.00 3.32 H new ATOM 0 HG2 LYS A 41 15.992 -6.882 -8.664 1.00 33.32 H new ATOM 0 HG3 LYS A 41 17.624 -6.836 -9.300 1.00 33.32 H new ATOM 0 HD2 LYS A 41 16.624 -4.358 -7.941 1.00 53.00 H new ATOM 0 HD3 LYS A 41 16.950 -5.747 -6.923 1.00 53.00 H new ATOM 0 HE2 LYS A 41 19.238 -5.895 -8.108 1.00 54.43 H new ATOM 0 HE3 LYS A 41 18.884 -4.313 -8.774 1.00 54.43 H new ATOM 0 HZ1 LYS A 41 20.178 -4.143 -6.749 1.00 13.45 H new ATOM 0 HZ2 LYS A 41 18.645 -3.448 -6.519 1.00 13.45 H new ATOM 0 HZ3 LYS A 41 18.988 -4.981 -5.874 1.00 13.45 H new ATOM 639 N THR A 42 14.553 -3.694 -12.138 1.00 34.22 N ATOM 640 CA THR A 42 14.360 -2.477 -12.916 1.00 61.21 C ATOM 641 C THR A 42 12.885 -2.100 -12.992 1.00 30.35 C ATOM 642 O THR A 42 12.522 -0.939 -12.811 1.00 53.51 O ATOM 643 CB THR A 42 14.913 -2.631 -14.346 1.00 33.23 C ATOM 644 OG1 THR A 42 14.138 -3.594 -15.069 1.00 63.30 O ATOM 645 CG2 THR A 42 16.371 -3.063 -14.319 1.00 1.25 C ATOM 0 H THR A 42 14.636 -4.543 -12.697 1.00 34.22 H new ATOM 0 HA THR A 42 14.908 -1.685 -12.405 1.00 61.21 H new ATOM 0 HB THR A 42 14.847 -1.664 -14.844 1.00 33.23 H new ATOM 0 HG1 THR A 42 13.905 -4.339 -14.476 1.00 63.30 H new ATOM 0 HG21 THR A 42 16.739 -3.165 -15.340 1.00 1.25 H new ATOM 0 HG22 THR A 42 16.963 -2.314 -13.793 1.00 1.25 H new ATOM 0 HG23 THR A 42 16.457 -4.020 -13.805 1.00 1.25 H new ATOM 653 N MET A 43 12.039 -3.090 -13.259 1.00 1.04 N ATOM 654 CA MET A 43 10.602 -2.861 -13.356 1.00 21.33 C ATOM 655 C MET A 43 10.068 -2.211 -12.084 1.00 10.34 C ATOM 656 O MET A 43 9.475 -1.134 -12.128 1.00 42.32 O ATOM 657 CB MET A 43 9.871 -4.180 -13.614 1.00 55.21 C ATOM 658 CG MET A 43 9.583 -4.437 -15.084 1.00 74.13 C ATOM 659 SD MET A 43 10.820 -5.495 -15.860 1.00 1.43 S ATOM 660 CE MET A 43 9.774 -6.700 -16.673 1.00 0.12 C ATOM 0 H MET A 43 12.324 -4.058 -13.412 1.00 1.04 H new ATOM 0 HA MET A 43 10.422 -2.184 -14.191 1.00 21.33 H new ATOM 0 HB2 MET A 43 10.470 -5.001 -13.221 1.00 55.21 H new ATOM 0 HB3 MET A 43 8.931 -4.179 -13.063 1.00 55.21 H new ATOM 0 HG2 MET A 43 8.601 -4.900 -15.182 1.00 74.13 H new ATOM 0 HG3 MET A 43 9.541 -3.485 -15.614 1.00 74.13 H new ATOM 0 HE1 MET A 43 10.333 -7.623 -16.825 1.00 0.12 H new ATOM 0 HE2 MET A 43 8.901 -6.902 -16.052 1.00 0.12 H new ATOM 0 HE3 MET A 43 9.450 -6.309 -17.638 1.00 0.12 H new ATOM 670 N ASN A 44 10.282 -2.872 -10.951 1.00 70.50 N ATOM 671 CA ASN A 44 9.821 -2.358 -9.667 1.00 31.35 C ATOM 672 C ASN A 44 10.340 -0.943 -9.429 1.00 73.31 C ATOM 673 O ASN A 44 9.563 -0.017 -9.198 1.00 20.35 O ATOM 674 CB ASN A 44 10.277 -3.278 -8.532 1.00 2.20 C ATOM 675 CG ASN A 44 9.424 -3.127 -7.287 1.00 62.32 C ATOM 676 OD1 ASN A 44 8.446 -3.851 -7.100 1.00 51.14 O ATOM 677 ND2 ASN A 44 9.792 -2.184 -6.428 1.00 43.45 N ATOM 0 H ASN A 44 10.772 -3.765 -10.896 1.00 70.50 H new ATOM 0 HA ASN A 44 8.732 -2.328 -9.686 1.00 31.35 H new ATOM 0 HB2 ASN A 44 10.241 -4.313 -8.871 1.00 2.20 H new ATOM 0 HB3 ASN A 44 11.316 -3.059 -8.286 1.00 2.20 H new ATOM 0 HD21 ASN A 44 9.257 -2.037 -5.572 1.00 43.45 H new ATOM 0 HD22 ASN A 44 10.610 -1.607 -6.624 1.00 43.45 H new ATOM 684 N ALA A 45 11.658 -0.784 -9.489 1.00 72.41 N ATOM 685 CA ALA A 45 12.280 0.517 -9.283 1.00 44.44 C ATOM 686 C ALA A 45 11.689 1.563 -10.222 1.00 52.43 C ATOM 687 O ALA A 45 11.685 2.755 -9.916 1.00 3.13 O ATOM 688 CB ALA A 45 13.786 0.419 -9.481 1.00 11.52 C ATOM 0 H ALA A 45 12.315 -1.541 -9.679 1.00 72.41 H new ATOM 0 HA ALA A 45 12.078 0.830 -8.259 1.00 44.44 H new ATOM 0 HB1 ALA A 45 14.238 1.398 -9.324 1.00 11.52 H new ATOM 0 HB2 ALA A 45 14.202 -0.291 -8.766 1.00 11.52 H new ATOM 0 HB3 ALA A 45 13.998 0.080 -10.495 1.00 11.52 H new ATOM 694 N ALA A 46 11.190 1.109 -11.367 1.00 52.33 N ATOM 695 CA ALA A 46 10.595 2.006 -12.350 1.00 55.12 C ATOM 696 C ALA A 46 9.365 2.706 -11.781 1.00 73.52 C ATOM 697 O ALA A 46 9.185 3.911 -11.960 1.00 1.02 O ATOM 698 CB ALA A 46 10.231 1.239 -13.613 1.00 31.13 C ATOM 0 H ALA A 46 11.186 0.125 -11.637 1.00 52.33 H new ATOM 0 HA ALA A 46 11.332 2.769 -12.601 1.00 55.12 H new ATOM 0 HB1 ALA A 46 9.788 1.921 -14.338 1.00 31.13 H new ATOM 0 HB2 ALA A 46 11.129 0.791 -14.038 1.00 31.13 H new ATOM 0 HB3 ALA A 46 9.515 0.454 -13.369 1.00 31.13 H new ATOM 704 N LEU A 47 8.520 1.943 -11.096 1.00 71.44 N ATOM 705 CA LEU A 47 7.305 2.489 -10.501 1.00 44.33 C ATOM 706 C LEU A 47 7.630 3.662 -9.581 1.00 60.22 C ATOM 707 O LEU A 47 6.799 4.545 -9.368 1.00 34.30 O ATOM 708 CB LEU A 47 6.563 1.404 -9.720 1.00 63.40 C ATOM 709 CG LEU A 47 7.053 1.149 -8.294 1.00 0.30 C ATOM 710 CD1 LEU A 47 6.254 1.977 -7.300 1.00 1.44 C ATOM 711 CD2 LEU A 47 6.960 -0.331 -7.954 1.00 62.12 C ATOM 0 H LEU A 47 8.654 0.944 -10.939 1.00 71.44 H new ATOM 0 HA LEU A 47 6.665 2.849 -11.307 1.00 44.33 H new ATOM 0 HB2 LEU A 47 5.507 1.673 -9.677 1.00 63.40 H new ATOM 0 HB3 LEU A 47 6.632 0.471 -10.279 1.00 63.40 H new ATOM 0 HG LEU A 47 8.099 1.450 -8.230 1.00 0.30 H new ATOM 0 HD11 LEU A 47 6.616 1.783 -6.290 1.00 1.44 H new ATOM 0 HD12 LEU A 47 6.372 3.036 -7.531 1.00 1.44 H new ATOM 0 HD13 LEU A 47 5.200 1.707 -7.365 1.00 1.44 H new ATOM 0 HD21 LEU A 47 7.313 -0.493 -6.936 1.00 62.12 H new ATOM 0 HD22 LEU A 47 5.924 -0.659 -8.035 1.00 62.12 H new ATOM 0 HD23 LEU A 47 7.577 -0.903 -8.647 1.00 62.12 H new ATOM 723 N ILE A 48 8.844 3.665 -9.041 1.00 70.20 N ATOM 724 CA ILE A 48 9.279 4.731 -8.147 1.00 21.40 C ATOM 725 C ILE A 48 9.588 6.007 -8.922 1.00 73.24 C ATOM 726 O ILE A 48 9.206 7.103 -8.513 1.00 11.41 O ATOM 727 CB ILE A 48 10.526 4.317 -7.343 1.00 42.34 C ATOM 728 CG1 ILE A 48 10.230 3.071 -6.506 1.00 3.52 C ATOM 729 CG2 ILE A 48 10.987 5.463 -6.454 1.00 61.34 C ATOM 730 CD1 ILE A 48 11.461 2.251 -6.188 1.00 34.12 C ATOM 0 H ILE A 48 9.544 2.941 -9.207 1.00 70.20 H new ATOM 0 HA ILE A 48 8.457 4.919 -7.456 1.00 21.40 H new ATOM 0 HB ILE A 48 11.328 4.079 -8.041 1.00 42.34 H new ATOM 0 HG12 ILE A 48 9.754 3.374 -5.573 1.00 3.52 H new ATOM 0 HG13 ILE A 48 9.515 2.446 -7.040 1.00 3.52 H new ATOM 0 HG21 ILE A 48 11.869 5.155 -5.892 1.00 61.34 H new ATOM 0 HG22 ILE A 48 11.233 6.326 -7.072 1.00 61.34 H new ATOM 0 HG23 ILE A 48 10.189 5.729 -5.760 1.00 61.34 H new ATOM 0 HD11 ILE A 48 11.176 1.384 -5.592 1.00 34.12 H new ATOM 0 HD12 ILE A 48 11.926 1.918 -7.116 1.00 34.12 H new ATOM 0 HD13 ILE A 48 12.169 2.860 -5.626 1.00 34.12 H new ATOM 742 N LYS A 49 10.280 5.857 -10.046 1.00 62.24 N ATOM 743 CA LYS A 49 10.638 6.996 -10.883 1.00 5.11 C ATOM 744 C LYS A 49 9.425 7.510 -11.651 1.00 11.33 C ATOM 745 O LYS A 49 9.124 8.704 -11.627 1.00 42.11 O ATOM 746 CB LYS A 49 11.748 6.607 -11.863 1.00 32.14 C ATOM 747 CG LYS A 49 13.134 6.608 -11.243 1.00 25.31 C ATOM 748 CD LYS A 49 13.415 5.311 -10.501 1.00 53.43 C ATOM 749 CE LYS A 49 14.908 5.060 -10.364 1.00 64.51 C ATOM 750 NZ LYS A 49 15.193 3.831 -9.572 1.00 2.11 N ATOM 0 H LYS A 49 10.605 4.957 -10.399 1.00 62.24 H new ATOM 0 HA LYS A 49 10.999 7.793 -10.233 1.00 5.11 H new ATOM 0 HB2 LYS A 49 11.538 5.614 -12.261 1.00 32.14 H new ATOM 0 HB3 LYS A 49 11.736 7.298 -12.706 1.00 32.14 H new ATOM 0 HG2 LYS A 49 13.882 6.751 -12.023 1.00 25.31 H new ATOM 0 HG3 LYS A 49 13.225 7.449 -10.555 1.00 25.31 H new ATOM 0 HD2 LYS A 49 12.959 5.351 -9.512 1.00 53.43 H new ATOM 0 HD3 LYS A 49 12.952 4.479 -11.032 1.00 53.43 H new ATOM 0 HE2 LYS A 49 15.353 4.965 -11.355 1.00 64.51 H new ATOM 0 HE3 LYS A 49 15.378 5.918 -9.884 1.00 64.51 H new ATOM 0 HZ1 LYS A 49 16.046 3.979 -8.996 1.00 2.11 H new ATOM 0 HZ2 LYS A 49 14.386 3.625 -8.949 1.00 2.11 H new ATOM 0 HZ3 LYS A 49 15.346 3.030 -10.217 1.00 2.11 H new ATOM 764 N ILE A 50 8.731 6.602 -12.329 1.00 3.22 N ATOM 765 CA ILE A 50 7.549 6.965 -13.101 1.00 23.42 C ATOM 766 C ILE A 50 6.384 7.324 -12.186 1.00 34.34 C ATOM 767 O ILE A 50 5.476 8.056 -12.577 1.00 40.11 O ATOM 768 CB ILE A 50 7.118 5.822 -14.039 1.00 54.10 C ATOM 769 CG1 ILE A 50 6.645 4.616 -13.225 1.00 71.33 C ATOM 770 CG2 ILE A 50 8.264 5.431 -14.959 1.00 70.24 C ATOM 771 CD1 ILE A 50 5.144 4.428 -13.240 1.00 21.43 C ATOM 0 H ILE A 50 8.967 5.610 -12.359 1.00 3.22 H new ATOM 0 HA ILE A 50 7.818 7.835 -13.701 1.00 23.42 H new ATOM 0 HB ILE A 50 6.288 6.170 -14.654 1.00 54.10 H new ATOM 0 HG12 ILE A 50 7.120 3.716 -13.615 1.00 71.33 H new ATOM 0 HG13 ILE A 50 6.978 4.731 -12.194 1.00 71.33 H new ATOM 0 HG21 ILE A 50 7.944 4.622 -15.616 1.00 70.24 H new ATOM 0 HG22 ILE A 50 8.558 6.292 -15.560 1.00 70.24 H new ATOM 0 HG23 ILE A 50 9.113 5.099 -14.362 1.00 70.24 H new ATOM 0 HD11 ILE A 50 4.881 3.555 -12.643 1.00 21.43 H new ATOM 0 HD12 ILE A 50 4.662 5.312 -12.822 1.00 21.43 H new ATOM 0 HD13 ILE A 50 4.806 4.281 -14.266 1.00 21.43 H new ATOM 783 N GLY A 51 6.417 6.803 -10.962 1.00 54.53 N ATOM 784 CA GLY A 51 5.358 7.082 -10.009 1.00 62.21 C ATOM 785 C GLY A 51 5.257 8.555 -9.669 1.00 1.50 C ATOM 786 O GLY A 51 4.254 9.003 -9.116 1.00 15.34 O ATOM 0 H GLY A 51 7.157 6.194 -10.614 1.00 54.53 H new ATOM 0 HA2 GLY A 51 4.407 6.741 -10.417 1.00 62.21 H new ATOM 0 HA3 GLY A 51 5.536 6.513 -9.096 1.00 62.21 H new ATOM 790 N GLU A 52 6.300 9.311 -9.999 1.00 63.53 N ATOM 791 CA GLU A 52 6.325 10.742 -9.722 1.00 75.04 C ATOM 792 C GLU A 52 5.174 11.452 -10.429 1.00 53.42 C ATOM 793 O GLU A 52 4.621 12.426 -9.916 1.00 65.23 O ATOM 794 CB GLU A 52 7.659 11.347 -10.163 1.00 62.30 C ATOM 795 CG GLU A 52 7.964 12.687 -9.515 1.00 74.02 C ATOM 796 CD GLU A 52 9.328 13.225 -9.901 1.00 30.24 C ATOM 797 OE1 GLU A 52 9.808 12.887 -11.003 1.00 43.10 O ATOM 798 OE2 GLU A 52 9.915 13.982 -9.101 1.00 4.44 O ATOM 0 H GLU A 52 7.138 8.956 -10.458 1.00 63.53 H new ATOM 0 HA GLU A 52 6.210 10.880 -8.647 1.00 75.04 H new ATOM 0 HB2 GLU A 52 8.461 10.648 -9.927 1.00 62.30 H new ATOM 0 HB3 GLU A 52 7.652 11.470 -11.246 1.00 62.30 H new ATOM 0 HG2 GLU A 52 7.199 13.408 -9.803 1.00 74.02 H new ATOM 0 HG3 GLU A 52 7.912 12.582 -8.431 1.00 74.02 H new ATOM 805 N VAL A 53 4.818 10.959 -11.611 1.00 34.51 N ATOM 806 CA VAL A 53 3.733 11.545 -12.389 1.00 32.41 C ATOM 807 C VAL A 53 2.375 11.078 -11.877 1.00 12.24 C ATOM 808 O VAL A 53 2.236 9.994 -11.311 1.00 20.52 O ATOM 809 CB VAL A 53 3.856 11.187 -13.882 1.00 42.31 C ATOM 810 CG1 VAL A 53 5.213 11.611 -14.422 1.00 45.23 C ATOM 811 CG2 VAL A 53 3.631 9.698 -14.093 1.00 73.24 C ATOM 0 H VAL A 53 5.265 10.155 -12.051 1.00 34.51 H new ATOM 0 HA VAL A 53 3.810 12.626 -12.274 1.00 32.41 H new ATOM 0 HB VAL A 53 3.087 11.729 -14.432 1.00 42.31 H new ATOM 0 HG11 VAL A 53 5.282 11.350 -15.478 1.00 45.23 H new ATOM 0 HG12 VAL A 53 5.330 12.688 -14.306 1.00 45.23 H new ATOM 0 HG13 VAL A 53 6.001 11.099 -13.870 1.00 45.23 H new ATOM 0 HG21 VAL A 53 3.722 9.463 -15.154 1.00 73.24 H new ATOM 0 HG22 VAL A 53 4.376 9.134 -13.531 1.00 73.24 H new ATOM 0 HG23 VAL A 53 2.634 9.428 -13.745 1.00 73.24 H new ATOM 821 N PRO A 54 1.347 11.916 -12.079 1.00 33.42 N ATOM 822 CA PRO A 54 -0.020 11.610 -11.646 1.00 11.14 C ATOM 823 C PRO A 54 -0.649 10.485 -12.461 1.00 3.22 C ATOM 824 O PRO A 54 -0.133 10.077 -13.502 1.00 1.14 O ATOM 825 CB PRO A 54 -0.769 12.924 -11.881 1.00 41.23 C ATOM 826 CG PRO A 54 0.001 13.612 -12.955 1.00 62.34 C ATOM 827 CD PRO A 54 1.439 13.225 -12.746 1.00 62.12 C ATOM 0 HA PRO A 54 -0.052 11.264 -10.613 1.00 11.14 H new ATOM 0 HB2 PRO A 54 -1.800 12.743 -12.187 1.00 41.23 H new ATOM 0 HB3 PRO A 54 -0.807 13.526 -10.973 1.00 41.23 H new ATOM 0 HG2 PRO A 54 -0.346 13.305 -13.942 1.00 62.34 H new ATOM 0 HG3 PRO A 54 -0.125 14.693 -12.894 1.00 62.34 H new ATOM 0 HD2 PRO A 54 1.978 13.157 -13.691 1.00 62.12 H new ATOM 0 HD3 PRO A 54 1.966 13.954 -12.130 1.00 62.12 H new ATOM 835 N PRO A 55 -1.790 9.971 -11.979 1.00 70.22 N ATOM 836 CA PRO A 55 -2.514 8.886 -12.649 1.00 11.30 C ATOM 837 C PRO A 55 -3.155 9.338 -13.957 1.00 0.23 C ATOM 838 O PRO A 55 -3.664 8.521 -14.724 1.00 50.34 O ATOM 839 CB PRO A 55 -3.590 8.498 -11.632 1.00 75.33 C ATOM 840 CG PRO A 55 -3.799 9.725 -10.814 1.00 32.11 C ATOM 841 CD PRO A 55 -2.462 10.409 -10.744 1.00 63.41 C ATOM 0 HA PRO A 55 -1.853 8.064 -12.926 1.00 11.30 H new ATOM 0 HB2 PRO A 55 -4.511 8.191 -12.128 1.00 75.33 H new ATOM 0 HB3 PRO A 55 -3.267 7.661 -11.014 1.00 75.33 H new ATOM 0 HG2 PRO A 55 -4.546 10.375 -11.269 1.00 32.11 H new ATOM 0 HG3 PRO A 55 -4.161 9.473 -9.817 1.00 32.11 H new ATOM 0 HD2 PRO A 55 -2.567 11.493 -10.706 1.00 63.41 H new ATOM 0 HD3 PRO A 55 -1.904 10.112 -9.856 1.00 63.41 H new ATOM 849 N ASP A 56 -3.126 10.643 -14.204 1.00 50.03 N ATOM 850 CA ASP A 56 -3.703 11.203 -15.421 1.00 0.42 C ATOM 851 C ASP A 56 -2.830 10.888 -16.631 1.00 50.25 C ATOM 852 O ASP A 56 -3.316 10.835 -17.761 1.00 43.50 O ATOM 853 CB ASP A 56 -3.874 12.717 -15.280 1.00 25.24 C ATOM 854 CG ASP A 56 -5.197 13.205 -15.835 1.00 32.41 C ATOM 855 OD1 ASP A 56 -6.241 12.925 -15.210 1.00 13.42 O ATOM 856 OD2 ASP A 56 -5.189 13.865 -16.895 1.00 71.22 O ATOM 0 H ASP A 56 -2.709 11.333 -13.578 1.00 50.03 H new ATOM 0 HA ASP A 56 -4.681 10.747 -15.573 1.00 0.42 H new ATOM 0 HB2 ASP A 56 -3.802 12.991 -14.228 1.00 25.24 H new ATOM 0 HB3 ASP A 56 -3.058 13.221 -15.798 1.00 25.24 H new ATOM 861 N GLN A 57 -1.540 10.681 -16.387 1.00 32.22 N ATOM 862 CA GLN A 57 -0.600 10.373 -17.458 1.00 21.23 C ATOM 863 C GLN A 57 -0.732 8.918 -17.897 1.00 11.25 C ATOM 864 O GLN A 57 -0.422 8.572 -19.037 1.00 45.02 O ATOM 865 CB GLN A 57 0.833 10.652 -17.003 1.00 5.44 C ATOM 866 CG GLN A 57 1.050 12.075 -16.514 1.00 11.44 C ATOM 867 CD GLN A 57 0.808 13.108 -17.597 1.00 64.10 C ATOM 868 OE1 GLN A 57 0.600 12.766 -18.761 1.00 62.34 O ATOM 869 NE2 GLN A 57 0.835 14.380 -17.219 1.00 13.52 N ATOM 0 H GLN A 57 -1.122 10.721 -15.457 1.00 32.22 H new ATOM 0 HA GLN A 57 -0.835 11.013 -18.308 1.00 21.23 H new ATOM 0 HB2 GLN A 57 1.093 9.958 -16.203 1.00 5.44 H new ATOM 0 HB3 GLN A 57 1.513 10.453 -17.831 1.00 5.44 H new ATOM 0 HG2 GLN A 57 0.384 12.272 -15.674 1.00 11.44 H new ATOM 0 HG3 GLN A 57 2.070 12.176 -16.142 1.00 11.44 H new ATOM 0 HE21 GLN A 57 1.011 14.618 -16.243 1.00 13.52 H new ATOM 0 HE22 GLN A 57 0.680 15.119 -17.905 1.00 13.52 H new ATOM 878 N LEU A 58 -1.194 8.070 -16.984 1.00 51.15 N ATOM 879 CA LEU A 58 -1.367 6.651 -17.277 1.00 53.40 C ATOM 880 C LEU A 58 -2.555 6.428 -18.208 1.00 44.53 C ATOM 881 O LEU A 58 -3.585 7.091 -18.086 1.00 41.35 O ATOM 882 CB LEU A 58 -1.566 5.864 -15.981 1.00 33.21 C ATOM 883 CG LEU A 58 -0.597 6.187 -14.844 1.00 22.05 C ATOM 884 CD1 LEU A 58 -0.829 5.256 -13.664 1.00 1.04 C ATOM 885 CD2 LEU A 58 0.843 6.090 -15.326 1.00 40.34 C ATOM 0 H LEU A 58 -1.455 8.340 -16.036 1.00 51.15 H new ATOM 0 HA LEU A 58 -0.466 6.296 -17.777 1.00 53.40 H new ATOM 0 HB2 LEU A 58 -2.582 6.038 -15.626 1.00 33.21 H new ATOM 0 HB3 LEU A 58 -1.486 4.801 -16.209 1.00 33.21 H new ATOM 0 HG LEU A 58 -0.781 7.210 -14.516 1.00 22.05 H new ATOM 0 HD11 LEU A 58 -0.130 5.501 -12.864 1.00 1.04 H new ATOM 0 HD12 LEU A 58 -1.850 5.375 -13.302 1.00 1.04 H new ATOM 0 HD13 LEU A 58 -0.673 4.224 -13.979 1.00 1.04 H new ATOM 0 HD21 LEU A 58 1.519 6.323 -14.503 1.00 40.34 H new ATOM 0 HD22 LEU A 58 1.040 5.079 -15.682 1.00 40.34 H new ATOM 0 HD23 LEU A 58 1.003 6.798 -16.139 1.00 40.34 H new ATOM 897 N ASP A 59 -2.404 5.490 -19.137 1.00 4.25 N ATOM 898 CA ASP A 59 -3.465 5.177 -20.087 1.00 24.02 C ATOM 899 C ASP A 59 -3.986 3.760 -19.871 1.00 60.44 C ATOM 900 O ASP A 59 -3.541 3.055 -18.965 1.00 72.15 O ATOM 901 CB ASP A 59 -2.957 5.335 -21.521 1.00 22.51 C ATOM 902 CG ASP A 59 -2.697 6.782 -21.887 1.00 43.52 C ATOM 903 OD1 ASP A 59 -2.005 7.476 -21.112 1.00 13.11 O ATOM 904 OD2 ASP A 59 -3.184 7.222 -22.950 1.00 21.15 O ATOM 0 H ASP A 59 -1.557 4.933 -19.252 1.00 4.25 H new ATOM 0 HA ASP A 59 -4.286 5.875 -19.922 1.00 24.02 H new ATOM 0 HB2 ASP A 59 -2.038 4.762 -21.643 1.00 22.51 H new ATOM 0 HB3 ASP A 59 -3.689 4.915 -22.211 1.00 22.51 H new ATOM 909 N SER A 60 -4.932 3.349 -20.710 1.00 33.14 N ATOM 910 CA SER A 60 -5.518 2.017 -20.608 1.00 11.41 C ATOM 911 C SER A 60 -4.450 0.940 -20.770 1.00 0.10 C ATOM 912 O SER A 60 -4.575 -0.158 -20.230 1.00 34.51 O ATOM 913 CB SER A 60 -6.608 1.834 -21.666 1.00 42.41 C ATOM 914 OG SER A 60 -7.619 0.952 -21.210 1.00 3.41 O ATOM 0 H SER A 60 -5.309 3.919 -21.467 1.00 33.14 H new ATOM 0 HA SER A 60 -5.962 1.917 -19.618 1.00 11.41 H new ATOM 0 HB2 SER A 60 -7.048 2.801 -21.910 1.00 42.41 H new ATOM 0 HB3 SER A 60 -6.167 1.443 -22.583 1.00 42.41 H new ATOM 0 HG SER A 60 -8.304 0.853 -21.904 1.00 3.41 H new ATOM 920 N GLN A 61 -3.400 1.264 -21.518 1.00 11.53 N ATOM 921 CA GLN A 61 -2.310 0.325 -21.752 1.00 31.32 C ATOM 922 C GLN A 61 -1.341 0.311 -20.574 1.00 62.14 C ATOM 923 O GLN A 61 -0.883 -0.749 -20.147 1.00 61.02 O ATOM 924 CB GLN A 61 -1.564 0.686 -23.038 1.00 13.25 C ATOM 925 CG GLN A 61 -0.285 -0.108 -23.242 1.00 64.34 C ATOM 926 CD GLN A 61 0.030 -0.340 -24.707 1.00 44.01 C ATOM 927 OE1 GLN A 61 0.505 0.559 -25.402 1.00 25.04 O ATOM 928 NE2 GLN A 61 -0.233 -1.550 -25.185 1.00 71.52 N ATOM 0 H GLN A 61 -3.281 2.170 -21.972 1.00 11.53 H new ATOM 0 HA GLN A 61 -2.739 -0.671 -21.858 1.00 31.32 H new ATOM 0 HB2 GLN A 61 -2.224 0.521 -23.890 1.00 13.25 H new ATOM 0 HB3 GLN A 61 -1.323 1.749 -23.022 1.00 13.25 H new ATOM 0 HG2 GLN A 61 0.545 0.422 -22.775 1.00 64.34 H new ATOM 0 HG3 GLN A 61 -0.374 -1.070 -22.737 1.00 64.34 H new ATOM 0 HE21 GLN A 61 -0.626 -2.265 -24.574 1.00 71.52 H new ATOM 0 HE22 GLN A 61 -0.042 -1.764 -26.164 1.00 71.52 H new ATOM 937 N ASP A 62 -1.032 1.494 -20.055 1.00 32.11 N ATOM 938 CA ASP A 62 -0.118 1.618 -18.926 1.00 5.01 C ATOM 939 C ASP A 62 -0.544 0.708 -17.778 1.00 52.22 C ATOM 940 O ASP A 62 0.291 0.092 -17.116 1.00 63.35 O ATOM 941 CB ASP A 62 -0.058 3.070 -18.447 1.00 71.54 C ATOM 942 CG ASP A 62 0.955 3.272 -17.338 1.00 43.42 C ATOM 943 OD1 ASP A 62 2.142 3.500 -17.654 1.00 32.05 O ATOM 944 OD2 ASP A 62 0.562 3.203 -16.155 1.00 20.23 O ATOM 0 H ASP A 62 -1.401 2.381 -20.398 1.00 32.11 H new ATOM 0 HA ASP A 62 0.874 1.312 -19.259 1.00 5.01 H new ATOM 0 HB2 ASP A 62 0.194 3.717 -19.287 1.00 71.54 H new ATOM 0 HB3 ASP A 62 -1.044 3.374 -18.095 1.00 71.54 H new ATOM 949 N LYS A 63 -1.850 0.629 -17.547 1.00 12.55 N ATOM 950 CA LYS A 63 -2.389 -0.205 -16.479 1.00 55.32 C ATOM 951 C LYS A 63 -1.994 -1.665 -16.677 1.00 53.42 C ATOM 952 O LYS A 63 -1.774 -2.395 -15.710 1.00 71.44 O ATOM 953 CB LYS A 63 -3.914 -0.080 -16.428 1.00 21.44 C ATOM 954 CG LYS A 63 -4.398 1.192 -15.754 1.00 20.12 C ATOM 955 CD LYS A 63 -5.764 1.611 -16.270 1.00 13.02 C ATOM 956 CE LYS A 63 -6.537 2.401 -15.224 1.00 63.04 C ATOM 957 NZ LYS A 63 -7.981 2.514 -15.569 1.00 61.45 N ATOM 0 H LYS A 63 -2.555 1.133 -18.085 1.00 12.55 H new ATOM 0 HA LYS A 63 -1.970 0.141 -15.534 1.00 55.32 H new ATOM 0 HB2 LYS A 63 -4.307 -0.115 -17.444 1.00 21.44 H new ATOM 0 HB3 LYS A 63 -4.323 -0.940 -15.898 1.00 21.44 H new ATOM 0 HG2 LYS A 63 -4.447 1.038 -14.676 1.00 20.12 H new ATOM 0 HG3 LYS A 63 -3.680 1.993 -15.929 1.00 20.12 H new ATOM 0 HD2 LYS A 63 -5.645 2.215 -17.169 1.00 13.02 H new ATOM 0 HD3 LYS A 63 -6.334 0.726 -16.554 1.00 13.02 H new ATOM 0 HE2 LYS A 63 -6.433 1.917 -14.253 1.00 63.04 H new ATOM 0 HE3 LYS A 63 -6.107 3.398 -15.131 1.00 63.04 H new ATOM 0 HZ1 LYS A 63 -8.472 3.059 -14.832 1.00 61.45 H new ATOM 0 HZ2 LYS A 63 -8.083 2.999 -16.484 1.00 61.45 H new ATOM 0 HZ3 LYS A 63 -8.398 1.563 -15.633 1.00 61.45 H new ATOM 971 N LEU A 64 -1.905 -2.083 -17.935 1.00 21.12 N ATOM 972 CA LEU A 64 -1.534 -3.456 -18.260 1.00 33.12 C ATOM 973 C LEU A 64 -0.039 -3.680 -18.055 1.00 15.25 C ATOM 974 O LEU A 64 0.387 -4.764 -17.657 1.00 70.13 O ATOM 975 CB LEU A 64 -1.916 -3.780 -19.705 1.00 53.22 C ATOM 976 CG LEU A 64 -3.319 -4.351 -19.917 1.00 1.40 C ATOM 977 CD1 LEU A 64 -4.374 -3.369 -19.429 1.00 63.53 C ATOM 978 CD2 LEU A 64 -3.541 -4.690 -21.384 1.00 1.42 C ATOM 0 H LEU A 64 -2.085 -1.491 -18.746 1.00 21.12 H new ATOM 0 HA LEU A 64 -2.077 -4.121 -17.589 1.00 33.12 H new ATOM 0 HB2 LEU A 64 -1.823 -2.870 -20.297 1.00 53.22 H new ATOM 0 HB3 LEU A 64 -1.192 -4.493 -20.100 1.00 53.22 H new ATOM 0 HG LEU A 64 -3.409 -5.268 -19.335 1.00 1.40 H new ATOM 0 HD11 LEU A 64 -5.366 -3.792 -19.588 1.00 63.53 H new ATOM 0 HD12 LEU A 64 -4.228 -3.176 -18.366 1.00 63.53 H new ATOM 0 HD13 LEU A 64 -4.285 -2.434 -19.983 1.00 63.53 H new ATOM 0 HD21 LEU A 64 -4.544 -5.095 -21.516 1.00 1.42 H new ATOM 0 HD22 LEU A 64 -3.431 -3.788 -21.986 1.00 1.42 H new ATOM 0 HD23 LEU A 64 -2.806 -5.430 -21.702 1.00 1.42 H new ATOM 990 N TRP A 65 0.750 -2.647 -18.326 1.00 24.22 N ATOM 991 CA TRP A 65 2.198 -2.731 -18.169 1.00 0.54 C ATOM 992 C TRP A 65 2.567 -3.194 -16.764 1.00 3.33 C ATOM 993 O TRP A 65 3.384 -4.098 -16.593 1.00 63.02 O ATOM 994 CB TRP A 65 2.842 -1.374 -18.457 1.00 50.53 C ATOM 995 CG TRP A 65 4.308 -1.333 -18.147 1.00 33.42 C ATOM 996 CD1 TRP A 65 5.249 -2.253 -18.514 1.00 14.24 C ATOM 997 CD2 TRP A 65 4.999 -0.323 -17.404 1.00 60.22 C ATOM 998 NE1 TRP A 65 6.483 -1.875 -18.044 1.00 3.03 N ATOM 999 CE2 TRP A 65 6.357 -0.694 -17.361 1.00 22.33 C ATOM 1000 CE3 TRP A 65 4.604 0.859 -16.774 1.00 14.53 C ATOM 1001 CZ2 TRP A 65 7.318 0.075 -16.711 1.00 3.24 C ATOM 1002 CZ3 TRP A 65 5.559 1.622 -16.129 1.00 34.13 C ATOM 1003 CH2 TRP A 65 6.903 1.228 -16.102 1.00 1.23 C ATOM 0 H TRP A 65 0.413 -1.742 -18.655 1.00 24.22 H new ATOM 0 HA TRP A 65 2.574 -3.463 -18.883 1.00 0.54 H new ATOM 0 HB2 TRP A 65 2.693 -1.125 -19.508 1.00 50.53 H new ATOM 0 HB3 TRP A 65 2.333 -0.607 -17.873 1.00 50.53 H new ATOM 0 HD1 TRP A 65 5.052 -3.146 -19.089 1.00 14.24 H new ATOM 0 HE1 TRP A 65 7.353 -2.390 -18.181 1.00 3.03 H new ATOM 0 HE3 TRP A 65 3.570 1.171 -16.790 1.00 14.53 H new ATOM 0 HZ2 TRP A 65 8.354 -0.228 -16.688 1.00 3.24 H new ATOM 0 HZ3 TRP A 65 5.264 2.537 -15.638 1.00 34.13 H new ATOM 0 HH2 TRP A 65 7.626 1.846 -15.591 1.00 1.23 H new ATOM 1014 N ALA A 66 1.960 -2.568 -15.760 1.00 62.44 N ATOM 1015 CA ALA A 66 2.224 -2.919 -14.370 1.00 42.24 C ATOM 1016 C ALA A 66 1.608 -4.268 -14.018 1.00 34.22 C ATOM 1017 O ALA A 66 2.229 -5.088 -13.341 1.00 42.33 O ATOM 1018 CB ALA A 66 1.694 -1.835 -13.443 1.00 73.50 C ATOM 0 H ALA A 66 1.282 -1.816 -15.884 1.00 62.44 H new ATOM 0 HA ALA A 66 3.303 -2.998 -14.239 1.00 42.24 H new ATOM 0 HB1 ALA A 66 1.898 -2.110 -12.408 1.00 73.50 H new ATOM 0 HB2 ALA A 66 2.185 -0.889 -13.671 1.00 73.50 H new ATOM 0 HB3 ALA A 66 0.619 -1.729 -13.585 1.00 73.50 H new ATOM 1024 N ASP A 67 0.382 -4.492 -14.480 1.00 23.15 N ATOM 1025 CA ASP A 67 -0.319 -5.743 -14.213 1.00 4.10 C ATOM 1026 C ASP A 67 0.514 -6.939 -14.663 1.00 24.01 C ATOM 1027 O ASP A 67 0.667 -7.913 -13.926 1.00 43.41 O ATOM 1028 CB ASP A 67 -1.674 -5.754 -14.922 1.00 1.12 C ATOM 1029 CG ASP A 67 -2.289 -7.139 -14.974 1.00 44.31 C ATOM 1030 OD1 ASP A 67 -2.352 -7.799 -13.916 1.00 73.45 O ATOM 1031 OD2 ASP A 67 -2.705 -7.562 -16.073 1.00 32.32 O ATOM 0 H ASP A 67 -0.146 -3.824 -15.041 1.00 23.15 H new ATOM 0 HA ASP A 67 -0.480 -5.819 -13.138 1.00 4.10 H new ATOM 0 HB2 ASP A 67 -2.355 -5.076 -14.408 1.00 1.12 H new ATOM 0 HB3 ASP A 67 -1.553 -5.375 -15.937 1.00 1.12 H new ATOM 1036 N GLU A 68 1.049 -6.858 -15.877 1.00 64.22 N ATOM 1037 CA GLU A 68 1.865 -7.936 -16.425 1.00 41.51 C ATOM 1038 C GLU A 68 3.026 -8.268 -15.492 1.00 12.21 C ATOM 1039 O GLU A 68 3.448 -9.420 -15.394 1.00 62.00 O ATOM 1040 CB GLU A 68 2.401 -7.548 -17.805 1.00 74.42 C ATOM 1041 CG GLU A 68 1.399 -7.761 -18.928 1.00 43.51 C ATOM 1042 CD GLU A 68 2.067 -8.051 -20.258 1.00 61.31 C ATOM 1043 OE1 GLU A 68 2.881 -8.997 -20.318 1.00 52.05 O ATOM 1044 OE2 GLU A 68 1.777 -7.334 -21.238 1.00 12.31 O ATOM 0 H GLU A 68 0.933 -6.058 -16.499 1.00 64.22 H new ATOM 0 HA GLU A 68 1.235 -8.820 -16.522 1.00 41.51 H new ATOM 0 HB2 GLU A 68 2.698 -6.499 -17.789 1.00 74.42 H new ATOM 0 HB3 GLU A 68 3.298 -8.131 -18.014 1.00 74.42 H new ATOM 0 HG2 GLU A 68 0.739 -8.589 -18.669 1.00 43.51 H new ATOM 0 HG3 GLU A 68 0.774 -6.873 -19.025 1.00 43.51 H new ATOM 1051 N VAL A 69 3.538 -7.249 -14.808 1.00 32.40 N ATOM 1052 CA VAL A 69 4.649 -7.432 -13.882 1.00 62.01 C ATOM 1053 C VAL A 69 4.186 -8.100 -12.592 1.00 52.33 C ATOM 1054 O VAL A 69 4.913 -8.895 -11.997 1.00 72.43 O ATOM 1055 CB VAL A 69 5.321 -6.089 -13.539 1.00 53.14 C ATOM 1056 CG1 VAL A 69 6.557 -6.313 -12.682 1.00 32.22 C ATOM 1057 CG2 VAL A 69 5.674 -5.331 -14.810 1.00 53.31 C ATOM 0 H VAL A 69 3.201 -6.289 -14.878 1.00 32.40 H new ATOM 0 HA VAL A 69 5.373 -8.076 -14.381 1.00 62.01 H new ATOM 0 HB VAL A 69 4.616 -5.486 -12.966 1.00 53.14 H new ATOM 0 HG11 VAL A 69 7.018 -5.353 -12.450 1.00 32.22 H new ATOM 0 HG12 VAL A 69 6.272 -6.812 -11.756 1.00 32.22 H new ATOM 0 HG13 VAL A 69 7.268 -6.935 -13.225 1.00 32.22 H new ATOM 0 HG21 VAL A 69 6.148 -4.385 -14.549 1.00 53.31 H new ATOM 0 HG22 VAL A 69 6.361 -5.928 -15.411 1.00 53.31 H new ATOM 0 HG23 VAL A 69 4.767 -5.137 -15.382 1.00 53.31 H new ATOM 1067 N ARG A 70 2.971 -7.771 -12.166 1.00 11.24 N ATOM 1068 CA ARG A 70 2.410 -8.338 -10.945 1.00 61.33 C ATOM 1069 C ARG A 70 2.105 -9.822 -11.126 1.00 22.40 C ATOM 1070 O ARG A 70 2.458 -10.645 -10.282 1.00 32.05 O ATOM 1071 CB ARG A 70 1.137 -7.590 -10.548 1.00 15.22 C ATOM 1072 CG ARG A 70 1.263 -6.078 -10.644 1.00 24.23 C ATOM 1073 CD ARG A 70 0.484 -5.382 -9.539 1.00 21.54 C ATOM 1074 NE ARG A 70 -0.655 -4.633 -10.061 1.00 12.22 N ATOM 1075 CZ ARG A 70 -1.822 -5.189 -10.369 1.00 44.42 C ATOM 1076 NH1 ARG A 70 -2.002 -6.492 -10.208 1.00 63.32 N ATOM 1077 NH2 ARG A 70 -2.811 -4.440 -10.839 1.00 51.13 N ATOM 0 H ARG A 70 2.356 -7.115 -12.648 1.00 11.24 H new ATOM 0 HA ARG A 70 3.149 -8.230 -10.151 1.00 61.33 H new ATOM 0 HB2 ARG A 70 0.318 -7.919 -11.188 1.00 15.22 H new ATOM 0 HB3 ARG A 70 0.871 -7.860 -9.526 1.00 15.22 H new ATOM 0 HG2 ARG A 70 2.314 -5.795 -10.583 1.00 24.23 H new ATOM 0 HG3 ARG A 70 0.898 -5.742 -11.615 1.00 24.23 H new ATOM 0 HD2 ARG A 70 0.132 -6.123 -8.821 1.00 21.54 H new ATOM 0 HD3 ARG A 70 1.146 -4.705 -8.999 1.00 21.54 H new ATOM 0 HE ARG A 70 -0.549 -3.628 -10.197 1.00 12.22 H new ATOM 0 HH11 ARG A 70 -1.244 -7.071 -9.847 1.00 63.32 H new ATOM 0 HH12 ARG A 70 -2.899 -6.916 -10.445 1.00 63.32 H new ATOM 0 HH21 ARG A 70 -2.676 -3.437 -10.964 1.00 51.13 H new ATOM 0 HH22 ARG A 70 -3.707 -4.867 -11.075 1.00 51.13 H new ATOM 1091 N GLU A 71 1.448 -10.156 -12.232 1.00 53.12 N ATOM 1092 CA GLU A 71 1.095 -11.541 -12.522 1.00 14.30 C ATOM 1093 C GLU A 71 2.341 -12.418 -12.586 1.00 24.23 C ATOM 1094 O GLU A 71 2.306 -13.595 -12.223 1.00 54.05 O ATOM 1095 CB GLU A 71 0.327 -11.629 -13.843 1.00 4.01 C ATOM 1096 CG GLU A 71 1.109 -11.107 -15.037 1.00 30.02 C ATOM 1097 CD GLU A 71 0.393 -11.345 -16.352 1.00 60.31 C ATOM 1098 OE1 GLU A 71 -0.783 -11.763 -16.321 1.00 32.02 O ATOM 1099 OE2 GLU A 71 1.010 -11.113 -17.413 1.00 72.30 O ATOM 0 H GLU A 71 1.149 -9.487 -12.942 1.00 53.12 H new ATOM 0 HA GLU A 71 0.458 -11.903 -11.715 1.00 14.30 H new ATOM 0 HB2 GLU A 71 0.052 -12.668 -14.025 1.00 4.01 H new ATOM 0 HB3 GLU A 71 -0.601 -11.065 -13.752 1.00 4.01 H new ATOM 0 HG2 GLU A 71 1.286 -10.039 -14.912 1.00 30.02 H new ATOM 0 HG3 GLU A 71 2.086 -11.590 -15.067 1.00 30.02 H new ATOM 1106 N LEU A 72 3.443 -11.838 -13.049 1.00 52.12 N ATOM 1107 CA LEU A 72 4.702 -12.566 -13.162 1.00 10.14 C ATOM 1108 C LEU A 72 5.096 -13.182 -11.823 1.00 71.42 C ATOM 1109 O LEU A 72 5.779 -14.206 -11.777 1.00 15.34 O ATOM 1110 CB LEU A 72 5.811 -11.634 -13.653 1.00 12.43 C ATOM 1111 CG LEU A 72 6.865 -12.265 -14.563 1.00 33.31 C ATOM 1112 CD1 LEU A 72 6.218 -12.824 -15.821 1.00 10.40 C ATOM 1113 CD2 LEU A 72 7.940 -11.249 -14.920 1.00 14.14 C ATOM 0 H LEU A 72 3.490 -10.865 -13.352 1.00 52.12 H new ATOM 0 HA LEU A 72 4.565 -13.370 -13.885 1.00 10.14 H new ATOM 0 HB2 LEU A 72 5.350 -10.803 -14.187 1.00 12.43 H new ATOM 0 HB3 LEU A 72 6.316 -11.213 -12.783 1.00 12.43 H new ATOM 0 HG LEU A 72 7.336 -13.088 -14.025 1.00 33.31 H new ATOM 0 HD11 LEU A 72 6.983 -13.269 -16.457 1.00 10.40 H new ATOM 0 HD12 LEU A 72 5.487 -13.584 -15.547 1.00 10.40 H new ATOM 0 HD13 LEU A 72 5.720 -12.020 -16.362 1.00 10.40 H new ATOM 0 HD21 LEU A 72 8.681 -11.716 -15.568 1.00 14.14 H new ATOM 0 HD22 LEU A 72 7.485 -10.405 -15.439 1.00 14.14 H new ATOM 0 HD23 LEU A 72 8.425 -10.897 -14.009 1.00 14.14 H new ATOM 1125 N SER A 73 4.659 -12.554 -10.736 1.00 42.25 N ATOM 1126 CA SER A 73 4.967 -13.040 -9.397 1.00 4.44 C ATOM 1127 C SER A 73 4.603 -14.514 -9.256 1.00 74.31 C ATOM 1128 O SER A 73 5.230 -15.251 -8.495 1.00 10.35 O ATOM 1129 CB SER A 73 4.219 -12.215 -8.348 1.00 32.25 C ATOM 1130 OG SER A 73 2.931 -12.753 -8.100 1.00 41.33 O ATOM 0 H SER A 73 4.090 -11.707 -10.757 1.00 42.25 H new ATOM 0 HA SER A 73 6.040 -12.933 -9.236 1.00 4.44 H new ATOM 0 HB2 SER A 73 4.792 -12.193 -7.421 1.00 32.25 H new ATOM 0 HB3 SER A 73 4.126 -11.184 -8.690 1.00 32.25 H new ATOM 0 HG SER A 73 2.275 -12.311 -8.678 1.00 41.33 H new ATOM 1136 N TYR A 74 3.584 -14.938 -9.996 1.00 62.11 N ATOM 1137 CA TYR A 74 3.133 -16.324 -9.953 1.00 51.03 C ATOM 1138 C TYR A 74 4.233 -17.270 -10.425 1.00 51.14 C ATOM 1139 O TYR A 74 4.378 -18.379 -9.911 1.00 13.23 O ATOM 1140 CB TYR A 74 1.885 -16.503 -10.819 1.00 53.20 C ATOM 1141 CG TYR A 74 0.636 -15.903 -10.213 1.00 3.31 C ATOM 1142 CD1 TYR A 74 0.281 -16.170 -8.897 1.00 22.44 C ATOM 1143 CD2 TYR A 74 -0.188 -15.067 -10.957 1.00 2.25 C ATOM 1144 CE1 TYR A 74 -0.859 -15.625 -8.339 1.00 41.22 C ATOM 1145 CE2 TYR A 74 -1.329 -14.515 -10.407 1.00 31.51 C ATOM 1146 CZ TYR A 74 -1.661 -14.798 -9.098 1.00 44.11 C ATOM 1147 OH TYR A 74 -2.796 -14.251 -8.546 1.00 74.30 O ATOM 0 H TYR A 74 3.055 -14.342 -10.633 1.00 62.11 H new ATOM 0 HA TYR A 74 2.888 -16.568 -8.919 1.00 51.03 H new ATOM 0 HB2 TYR A 74 2.061 -16.047 -11.793 1.00 53.20 H new ATOM 0 HB3 TYR A 74 1.721 -17.567 -10.990 1.00 53.20 H new ATOM 0 HD1 TYR A 74 0.908 -16.815 -8.299 1.00 22.44 H new ATOM 0 HD2 TYR A 74 0.068 -14.845 -11.983 1.00 2.25 H new ATOM 0 HE1 TYR A 74 -1.121 -15.845 -7.315 1.00 41.22 H new ATOM 0 HE2 TYR A 74 -1.957 -13.866 -10.998 1.00 31.51 H new ATOM 0 HH TYR A 74 -3.247 -13.692 -9.213 1.00 74.30 H new ATOM 1157 N VAL A 75 5.007 -16.823 -11.409 1.00 50.42 N ATOM 1158 CA VAL A 75 6.096 -17.627 -11.951 1.00 53.22 C ATOM 1159 C VAL A 75 7.258 -17.713 -10.968 1.00 14.30 C ATOM 1160 O VAL A 75 7.928 -18.741 -10.872 1.00 33.31 O ATOM 1161 CB VAL A 75 6.608 -17.052 -13.285 1.00 52.02 C ATOM 1162 CG1 VAL A 75 7.613 -17.998 -13.924 1.00 22.23 C ATOM 1163 CG2 VAL A 75 5.446 -16.780 -14.229 1.00 12.24 C ATOM 0 H VAL A 75 4.900 -15.908 -11.847 1.00 50.42 H new ATOM 0 HA VAL A 75 5.696 -18.626 -12.124 1.00 53.22 H new ATOM 0 HB VAL A 75 7.112 -16.107 -13.083 1.00 52.02 H new ATOM 0 HG11 VAL A 75 7.963 -17.575 -14.865 1.00 22.23 H new ATOM 0 HG12 VAL A 75 8.459 -18.138 -13.252 1.00 22.23 H new ATOM 0 HG13 VAL A 75 7.137 -18.960 -14.114 1.00 22.23 H new ATOM 0 HG21 VAL A 75 5.826 -16.374 -15.166 1.00 12.24 H new ATOM 0 HG22 VAL A 75 4.912 -17.710 -14.426 1.00 12.24 H new ATOM 0 HG23 VAL A 75 4.766 -16.061 -13.772 1.00 12.24 H new ATOM 1173 N ILE A 76 7.490 -16.626 -10.239 1.00 65.15 N ATOM 1174 CA ILE A 76 8.571 -16.579 -9.262 1.00 72.41 C ATOM 1175 C ILE A 76 8.470 -17.737 -8.275 1.00 74.41 C ATOM 1176 O ILE A 76 9.480 -18.225 -7.770 1.00 62.35 O ATOM 1177 CB ILE A 76 8.566 -15.252 -8.481 1.00 63.10 C ATOM 1178 CG1 ILE A 76 8.637 -14.067 -9.446 1.00 43.02 C ATOM 1179 CG2 ILE A 76 9.727 -15.212 -7.498 1.00 71.01 C ATOM 1180 CD1 ILE A 76 8.613 -12.722 -8.754 1.00 41.04 C ATOM 0 H ILE A 76 6.944 -15.767 -10.306 1.00 65.15 H new ATOM 0 HA ILE A 76 9.504 -16.660 -9.819 1.00 72.41 H new ATOM 0 HB ILE A 76 7.636 -15.182 -7.918 1.00 63.10 H new ATOM 0 HG12 ILE A 76 9.549 -14.145 -10.039 1.00 43.02 H new ATOM 0 HG13 ILE A 76 7.799 -14.124 -10.141 1.00 43.02 H new ATOM 0 HG21 ILE A 76 9.710 -14.268 -6.953 1.00 71.01 H new ATOM 0 HG22 ILE A 76 9.636 -16.039 -6.794 1.00 71.01 H new ATOM 0 HG23 ILE A 76 10.667 -15.300 -8.042 1.00 71.01 H new ATOM 0 HD11 ILE A 76 8.666 -11.928 -9.499 1.00 41.04 H new ATOM 0 HD12 ILE A 76 7.689 -12.623 -8.184 1.00 41.04 H new ATOM 0 HD13 ILE A 76 9.466 -12.644 -8.080 1.00 41.04 H new ATOM 1192 N GLU A 77 7.243 -18.173 -8.006 1.00 73.22 N ATOM 1193 CA GLU A 77 7.010 -19.275 -7.080 1.00 62.20 C ATOM 1194 C GLU A 77 7.831 -20.500 -7.474 1.00 51.24 C ATOM 1195 O GLU A 77 8.313 -21.240 -6.617 1.00 35.13 O ATOM 1196 CB GLU A 77 5.523 -19.634 -7.043 1.00 63.50 C ATOM 1197 CG GLU A 77 4.644 -18.530 -6.482 1.00 51.41 C ATOM 1198 CD GLU A 77 4.764 -18.396 -4.976 1.00 60.14 C ATOM 1199 OE1 GLU A 77 4.249 -19.281 -4.260 1.00 44.42 O ATOM 1200 OE2 GLU A 77 5.372 -17.408 -4.514 1.00 73.13 O ATOM 0 H GLU A 77 6.396 -17.780 -8.416 1.00 73.22 H new ATOM 0 HA GLU A 77 7.323 -18.953 -6.087 1.00 62.20 H new ATOM 0 HB2 GLU A 77 5.191 -19.874 -8.053 1.00 63.50 H new ATOM 0 HB3 GLU A 77 5.390 -20.533 -6.442 1.00 63.50 H new ATOM 0 HG2 GLU A 77 4.914 -17.583 -6.950 1.00 51.41 H new ATOM 0 HG3 GLU A 77 3.605 -18.730 -6.743 1.00 51.41 H new ATOM 1207 N ASP A 78 7.985 -20.706 -8.778 1.00 31.54 N ATOM 1208 CA ASP A 78 8.747 -21.840 -9.287 1.00 23.50 C ATOM 1209 C ASP A 78 10.220 -21.719 -8.910 1.00 4.54 C ATOM 1210 O ASP A 78 10.916 -22.721 -8.751 1.00 34.43 O ATOM 1211 CB ASP A 78 8.604 -21.938 -10.807 1.00 13.44 C ATOM 1212 CG ASP A 78 9.100 -23.262 -11.352 1.00 23.34 C ATOM 1213 OD1 ASP A 78 9.459 -24.140 -10.540 1.00 23.24 O ATOM 1214 OD2 ASP A 78 9.131 -23.421 -12.590 1.00 52.32 O ATOM 0 H ASP A 78 7.592 -20.103 -9.501 1.00 31.54 H new ATOM 0 HA ASP A 78 8.347 -22.747 -8.833 1.00 23.50 H new ATOM 0 HB2 ASP A 78 7.557 -21.806 -11.080 1.00 13.44 H new ATOM 0 HB3 ASP A 78 9.160 -21.125 -11.274 1.00 13.44 H new ATOM 1219 N ALA A 79 10.690 -20.483 -8.769 1.00 35.12 N ATOM 1220 CA ALA A 79 12.079 -20.230 -8.409 1.00 63.14 C ATOM 1221 C ALA A 79 12.469 -20.996 -7.150 1.00 32.22 C ATOM 1222 O ALA A 79 13.460 -21.727 -7.137 1.00 14.32 O ATOM 1223 CB ALA A 79 12.311 -18.739 -8.215 1.00 42.15 C ATOM 0 H ALA A 79 10.128 -19.642 -8.899 1.00 35.12 H new ATOM 0 HA ALA A 79 12.709 -20.581 -9.226 1.00 63.14 H new ATOM 0 HB1 ALA A 79 13.353 -18.565 -7.946 1.00 42.15 H new ATOM 0 HB2 ALA A 79 12.082 -18.212 -9.141 1.00 42.15 H new ATOM 0 HB3 ALA A 79 11.665 -18.371 -7.418 1.00 42.15 H new ATOM 1229 N VAL A 80 11.683 -20.824 -6.091 1.00 63.13 N ATOM 1230 CA VAL A 80 11.946 -21.500 -4.826 1.00 40.14 C ATOM 1231 C VAL A 80 11.445 -22.939 -4.858 1.00 21.41 C ATOM 1232 O VAL A 80 11.979 -23.808 -4.168 1.00 72.52 O ATOM 1233 CB VAL A 80 11.283 -20.763 -3.648 1.00 14.31 C ATOM 1234 CG1 VAL A 80 11.761 -19.320 -3.582 1.00 63.54 C ATOM 1235 CG2 VAL A 80 9.767 -20.825 -3.766 1.00 62.31 C ATOM 0 H VAL A 80 10.859 -20.222 -6.084 1.00 63.13 H new ATOM 0 HA VAL A 80 13.027 -21.498 -4.684 1.00 40.14 H new ATOM 0 HB VAL A 80 11.574 -21.260 -2.722 1.00 14.31 H new ATOM 0 HG11 VAL A 80 11.281 -18.816 -2.743 1.00 63.54 H new ATOM 0 HG12 VAL A 80 12.842 -19.301 -3.447 1.00 63.54 H new ATOM 0 HG13 VAL A 80 11.502 -18.808 -4.509 1.00 63.54 H new ATOM 0 HG21 VAL A 80 9.315 -20.299 -2.925 1.00 62.31 H new ATOM 0 HG22 VAL A 80 9.455 -20.354 -4.698 1.00 62.31 H new ATOM 0 HG23 VAL A 80 9.444 -21.866 -3.759 1.00 62.31 H new ATOM 1245 N ASP A 81 10.417 -23.185 -5.663 1.00 3.31 N ATOM 1246 CA ASP A 81 9.844 -24.520 -5.786 1.00 64.13 C ATOM 1247 C ASP A 81 10.879 -25.508 -6.316 1.00 32.44 C ATOM 1248 O ASP A 81 10.831 -26.699 -6.006 1.00 61.24 O ATOM 1249 CB ASP A 81 8.627 -24.492 -6.712 1.00 31.44 C ATOM 1250 CG ASP A 81 7.796 -25.757 -6.613 1.00 11.41 C ATOM 1251 OD1 ASP A 81 7.015 -25.879 -5.646 1.00 50.34 O ATOM 1252 OD2 ASP A 81 7.927 -26.624 -7.502 1.00 21.22 O ATOM 0 H ASP A 81 9.963 -22.477 -6.240 1.00 3.31 H new ATOM 0 HA ASP A 81 9.529 -24.847 -4.795 1.00 64.13 H new ATOM 0 HB2 ASP A 81 8.005 -23.632 -6.464 1.00 31.44 H new ATOM 0 HB3 ASP A 81 8.960 -24.359 -7.741 1.00 31.44 H new ATOM 1257 N LYS A 82 11.813 -25.007 -7.116 1.00 42.13 N ATOM 1258 CA LYS A 82 12.860 -25.844 -7.690 1.00 22.35 C ATOM 1259 C LYS A 82 13.622 -26.588 -6.597 1.00 14.33 C ATOM 1260 O LYS A 82 14.181 -27.658 -6.835 1.00 21.45 O ATOM 1261 CB LYS A 82 13.830 -24.993 -8.512 1.00 54.33 C ATOM 1262 CG LYS A 82 14.294 -25.665 -9.793 1.00 32.23 C ATOM 1263 CD LYS A 82 13.170 -25.763 -10.810 1.00 74.42 C ATOM 1264 CE LYS A 82 13.458 -26.828 -11.858 1.00 54.51 C ATOM 1265 NZ LYS A 82 14.349 -26.317 -12.936 1.00 63.42 N ATOM 0 H LYS A 82 11.867 -24.024 -7.382 1.00 42.13 H new ATOM 0 HA LYS A 82 12.386 -26.577 -8.343 1.00 22.35 H new ATOM 0 HB2 LYS A 82 13.349 -24.047 -8.762 1.00 54.33 H new ATOM 0 HB3 LYS A 82 14.700 -24.756 -7.900 1.00 54.33 H new ATOM 0 HG2 LYS A 82 15.124 -25.102 -10.220 1.00 32.23 H new ATOM 0 HG3 LYS A 82 14.669 -26.663 -9.566 1.00 32.23 H new ATOM 0 HD2 LYS A 82 12.235 -25.996 -10.300 1.00 74.42 H new ATOM 0 HD3 LYS A 82 13.034 -24.798 -11.298 1.00 74.42 H new ATOM 0 HE2 LYS A 82 13.923 -27.691 -11.381 1.00 54.51 H new ATOM 0 HE3 LYS A 82 12.520 -27.172 -12.294 1.00 54.51 H new ATOM 0 HZ1 LYS A 82 14.522 -27.072 -13.630 1.00 63.42 H new ATOM 0 HZ2 LYS A 82 13.895 -25.509 -13.408 1.00 63.42 H new ATOM 0 HZ3 LYS A 82 15.254 -26.013 -12.523 1.00 63.42 H new ATOM 1279 N PHE A 83 13.638 -26.014 -5.398 1.00 52.02 N ATOM 1280 CA PHE A 83 14.330 -26.623 -4.268 1.00 43.14 C ATOM 1281 C PHE A 83 13.653 -27.926 -3.853 1.00 51.34 C ATOM 1282 O PHE A 83 14.316 -28.938 -3.622 1.00 42.43 O ATOM 1283 CB PHE A 83 14.368 -25.655 -3.084 1.00 41.32 C ATOM 1284 CG PHE A 83 15.263 -26.109 -1.967 1.00 33.34 C ATOM 1285 CD1 PHE A 83 14.860 -27.116 -1.105 1.00 34.43 C ATOM 1286 CD2 PHE A 83 16.507 -25.529 -1.778 1.00 14.04 C ATOM 1287 CE1 PHE A 83 15.681 -27.537 -0.075 1.00 75.45 C ATOM 1288 CE2 PHE A 83 17.332 -25.946 -0.751 1.00 20.05 C ATOM 1289 CZ PHE A 83 16.918 -26.951 0.102 1.00 0.54 C ATOM 0 H PHE A 83 13.180 -25.128 -5.184 1.00 52.02 H new ATOM 0 HA PHE A 83 15.351 -26.847 -4.578 1.00 43.14 H new ATOM 0 HB2 PHE A 83 14.704 -24.679 -3.434 1.00 41.32 H new ATOM 0 HB3 PHE A 83 13.357 -25.525 -2.699 1.00 41.32 H new ATOM 0 HD1 PHE A 83 13.893 -27.578 -1.239 1.00 34.43 H new ATOM 0 HD2 PHE A 83 16.836 -24.742 -2.441 1.00 14.04 H new ATOM 0 HE1 PHE A 83 15.355 -28.323 0.590 1.00 75.45 H new ATOM 0 HE2 PHE A 83 18.300 -25.487 -0.615 1.00 20.05 H new ATOM 0 HZ PHE A 83 17.561 -27.277 0.906 1.00 0.54 H new ATOM 1299 N LEU A 84 12.328 -27.893 -3.760 1.00 42.11 N ATOM 1300 CA LEU A 84 11.559 -29.070 -3.372 1.00 61.33 C ATOM 1301 C LEU A 84 11.492 -30.078 -4.516 1.00 13.52 C ATOM 1302 O LEU A 84 11.463 -31.287 -4.290 1.00 73.55 O ATOM 1303 CB LEU A 84 10.146 -28.665 -2.951 1.00 13.51 C ATOM 1304 CG LEU A 84 10.051 -27.576 -1.881 1.00 32.31 C ATOM 1305 CD1 LEU A 84 8.696 -26.887 -1.939 1.00 63.31 C ATOM 1306 CD2 LEU A 84 10.293 -28.165 -0.499 1.00 11.24 C ATOM 0 H LEU A 84 11.764 -27.064 -3.948 1.00 42.11 H new ATOM 0 HA LEU A 84 12.062 -29.540 -2.527 1.00 61.33 H new ATOM 0 HB2 LEU A 84 9.608 -28.325 -3.836 1.00 13.51 H new ATOM 0 HB3 LEU A 84 9.629 -29.552 -2.585 1.00 13.51 H new ATOM 0 HG LEU A 84 10.823 -26.832 -2.078 1.00 32.31 H new ATOM 0 HD11 LEU A 84 8.647 -26.116 -1.171 1.00 63.31 H new ATOM 0 HD12 LEU A 84 8.561 -26.431 -2.920 1.00 63.31 H new ATOM 0 HD13 LEU A 84 7.908 -27.620 -1.768 1.00 63.31 H new ATOM 0 HD21 LEU A 84 10.222 -27.376 0.250 1.00 11.24 H new ATOM 0 HD22 LEU A 84 9.544 -28.930 -0.293 1.00 11.24 H new ATOM 0 HD23 LEU A 84 11.287 -28.611 -0.463 1.00 11.24 H new ATOM 1318 N VAL A 85 11.469 -29.570 -5.744 1.00 41.01 N ATOM 1319 CA VAL A 85 11.409 -30.425 -6.924 1.00 13.14 C ATOM 1320 C VAL A 85 12.558 -31.427 -6.935 1.00 55.04 C ATOM 1321 O VAL A 85 12.457 -32.495 -7.539 1.00 33.42 O ATOM 1322 CB VAL A 85 11.452 -29.596 -8.221 1.00 10.42 C ATOM 1323 CG1 VAL A 85 11.418 -30.506 -9.439 1.00 24.55 C ATOM 1324 CG2 VAL A 85 10.301 -28.602 -8.256 1.00 53.11 C ATOM 0 H VAL A 85 11.491 -28.571 -5.948 1.00 41.01 H new ATOM 0 HA VAL A 85 10.462 -30.963 -6.878 1.00 13.14 H new ATOM 0 HB VAL A 85 12.387 -29.036 -8.242 1.00 10.42 H new ATOM 0 HG11 VAL A 85 11.449 -29.902 -10.346 1.00 24.55 H new ATOM 0 HG12 VAL A 85 12.279 -31.174 -9.418 1.00 24.55 H new ATOM 0 HG13 VAL A 85 10.501 -31.096 -9.427 1.00 24.55 H new ATOM 0 HG21 VAL A 85 10.347 -28.025 -9.179 1.00 53.11 H new ATOM 0 HG22 VAL A 85 9.354 -29.140 -8.211 1.00 53.11 H new ATOM 0 HG23 VAL A 85 10.376 -27.928 -7.403 1.00 53.11 H new ATOM 1334 N ARG A 86 13.649 -31.075 -6.264 1.00 43.04 N ATOM 1335 CA ARG A 86 14.819 -31.943 -6.198 1.00 75.40 C ATOM 1336 C ARG A 86 14.496 -33.233 -5.449 1.00 2.14 C ATOM 1337 O ARG A 86 14.541 -34.323 -6.019 1.00 40.23 O ATOM 1338 CB ARG A 86 15.980 -31.220 -5.513 1.00 54.35 C ATOM 1339 CG ARG A 86 16.879 -30.463 -6.477 1.00 72.24 C ATOM 1340 CD ARG A 86 17.705 -31.413 -7.331 1.00 32.03 C ATOM 1341 NE ARG A 86 18.783 -32.036 -6.568 1.00 64.23 N ATOM 1342 CZ ARG A 86 19.845 -32.606 -7.128 1.00 34.40 C ATOM 1343 NH1 ARG A 86 19.969 -32.631 -8.448 1.00 21.43 N ATOM 1344 NH2 ARG A 86 20.784 -33.153 -6.367 1.00 5.50 N ATOM 0 H ARG A 86 13.748 -30.195 -5.758 1.00 43.04 H new ATOM 0 HA ARG A 86 15.110 -32.197 -7.217 1.00 75.40 H new ATOM 0 HB2 ARG A 86 15.579 -30.522 -4.778 1.00 54.35 H new ATOM 0 HB3 ARG A 86 16.579 -31.948 -4.967 1.00 54.35 H new ATOM 0 HG2 ARG A 86 16.271 -29.828 -7.121 1.00 72.24 H new ATOM 0 HG3 ARG A 86 17.543 -29.805 -5.917 1.00 72.24 H new ATOM 0 HD2 ARG A 86 17.057 -32.187 -7.742 1.00 32.03 H new ATOM 0 HD3 ARG A 86 18.126 -30.868 -8.176 1.00 32.03 H new ATOM 0 HE ARG A 86 18.717 -32.034 -5.550 1.00 64.23 H new ATOM 0 HH11 ARG A 86 19.248 -32.212 -9.036 1.00 21.43 H new ATOM 0 HH12 ARG A 86 20.785 -33.069 -8.875 1.00 21.43 H new ATOM 0 HH21 ARG A 86 20.691 -33.136 -5.351 1.00 5.50 H new ATOM 0 HH22 ARG A 86 21.599 -33.590 -6.798 1.00 5.50 H new ATOM 1358 N VAL A 87 14.172 -33.101 -4.166 1.00 54.24 N ATOM 1359 CA VAL A 87 13.841 -34.255 -3.339 1.00 1.34 C ATOM 1360 C VAL A 87 12.704 -35.063 -3.952 1.00 34.40 C ATOM 1361 O VAL A 87 12.580 -36.264 -3.710 1.00 21.44 O ATOM 1362 CB VAL A 87 13.442 -33.827 -1.914 1.00 24.54 C ATOM 1363 CG1 VAL A 87 14.626 -33.199 -1.194 1.00 13.23 C ATOM 1364 CG2 VAL A 87 12.263 -32.868 -1.956 1.00 34.10 C ATOM 0 H VAL A 87 14.132 -32.207 -3.677 1.00 54.24 H new ATOM 0 HA VAL A 87 14.736 -34.875 -3.288 1.00 1.34 H new ATOM 0 HB VAL A 87 13.139 -34.714 -1.358 1.00 24.54 H new ATOM 0 HG11 VAL A 87 14.325 -32.903 -0.189 1.00 13.23 H new ATOM 0 HG12 VAL A 87 15.439 -33.922 -1.131 1.00 13.23 H new ATOM 0 HG13 VAL A 87 14.963 -32.321 -1.745 1.00 13.23 H new ATOM 0 HG21 VAL A 87 11.995 -32.576 -0.941 1.00 34.10 H new ATOM 0 HG22 VAL A 87 12.535 -31.981 -2.528 1.00 34.10 H new ATOM 0 HG23 VAL A 87 11.412 -33.358 -2.429 1.00 34.10 H new ATOM 1374 N HIS A 88 11.874 -34.397 -4.749 1.00 32.23 N ATOM 1375 CA HIS A 88 10.746 -35.054 -5.399 1.00 35.53 C ATOM 1376 C HIS A 88 11.229 -36.098 -6.401 1.00 72.13 C ATOM 1377 O HIS A 88 10.459 -36.947 -6.849 1.00 12.23 O ATOM 1378 CB HIS A 88 9.864 -34.023 -6.104 1.00 2.14 C ATOM 1379 CG HIS A 88 8.871 -33.364 -5.197 1.00 4.44 C ATOM 1380 ND1 HIS A 88 7.737 -32.729 -5.657 1.00 32.21 N ATOM 1381 CD2 HIS A 88 8.847 -33.244 -3.849 1.00 11.14 C ATOM 1382 CE1 HIS A 88 7.058 -32.246 -4.631 1.00 63.34 C ATOM 1383 NE2 HIS A 88 7.710 -32.546 -3.522 1.00 44.53 N ATOM 0 H HIS A 88 11.962 -33.403 -4.960 1.00 32.23 H new ATOM 0 HA HIS A 88 10.159 -35.557 -4.631 1.00 35.53 H new ATOM 0 HB2 HIS A 88 10.499 -33.258 -6.550 1.00 2.14 H new ATOM 0 HB3 HIS A 88 9.331 -34.511 -6.920 1.00 2.14 H new ATOM 0 HD2 HIS A 88 9.585 -33.626 -3.159 1.00 11.14 H new ATOM 0 HE1 HIS A 88 6.128 -31.699 -4.689 1.00 63.34 H new ATOM 0 HE2 HIS A 88 7.417 -32.299 -2.577 1.00 44.53 H new ATOM 1391 N GLY A 89 12.510 -36.028 -6.750 1.00 51.04 N ATOM 1392 CA GLY A 89 13.073 -36.972 -7.698 1.00 42.42 C ATOM 1393 C GLY A 89 13.178 -36.396 -9.097 1.00 33.24 C ATOM 1394 O GLY A 89 14.042 -36.796 -9.877 1.00 53.23 O ATOM 0 H GLY A 89 13.168 -35.335 -6.393 1.00 51.04 H new ATOM 0 HA2 GLY A 89 14.063 -37.276 -7.358 1.00 42.42 H new ATOM 0 HA3 GLY A 89 12.455 -37.869 -7.723 1.00 42.42 H new ATOM 1398 N VAL A 90 12.294 -35.456 -9.416 1.00 2.45 N ATOM 1399 CA VAL A 90 12.290 -34.825 -10.730 1.00 1.52 C ATOM 1400 C VAL A 90 13.602 -34.093 -10.992 1.00 53.02 C ATOM 1401 O VAL A 90 14.247 -33.605 -10.065 1.00 41.13 O ATOM 1402 CB VAL A 90 11.123 -33.830 -10.871 1.00 51.42 C ATOM 1403 CG1 VAL A 90 11.019 -33.328 -12.303 1.00 43.43 C ATOM 1404 CG2 VAL A 90 9.818 -34.473 -10.427 1.00 70.45 C ATOM 0 H VAL A 90 11.571 -35.115 -8.782 1.00 2.45 H new ATOM 0 HA VAL A 90 12.169 -35.622 -11.464 1.00 1.52 H new ATOM 0 HB VAL A 90 11.318 -32.974 -10.225 1.00 51.42 H new ATOM 0 HG11 VAL A 90 10.189 -32.626 -12.383 1.00 43.43 H new ATOM 0 HG12 VAL A 90 11.946 -32.827 -12.581 1.00 43.43 H new ATOM 0 HG13 VAL A 90 10.847 -34.171 -12.972 1.00 43.43 H new ATOM 0 HG21 VAL A 90 9.004 -33.756 -10.533 1.00 70.45 H new ATOM 0 HG22 VAL A 90 9.614 -35.347 -11.045 1.00 70.45 H new ATOM 0 HG23 VAL A 90 9.899 -34.778 -9.384 1.00 70.45 H new ATOM 1414 N GLU A 91 13.989 -34.021 -12.262 1.00 1.11 N ATOM 1415 CA GLU A 91 15.225 -33.349 -12.646 1.00 12.53 C ATOM 1416 C GLU A 91 14.931 -32.100 -13.473 1.00 33.40 C ATOM 1417 O GLU A 91 13.871 -31.966 -14.085 1.00 61.24 O ATOM 1418 CB GLU A 91 16.124 -34.299 -13.439 1.00 33.30 C ATOM 1419 CG GLU A 91 15.370 -35.150 -14.447 1.00 71.32 C ATOM 1420 CD GLU A 91 14.865 -36.450 -13.852 1.00 30.23 C ATOM 1421 OE1 GLU A 91 15.689 -37.361 -13.628 1.00 5.32 O ATOM 1422 OE2 GLU A 91 13.644 -36.556 -13.609 1.00 63.34 O ATOM 0 H GLU A 91 13.465 -34.419 -13.041 1.00 1.11 H new ATOM 0 HA GLU A 91 15.742 -33.048 -11.735 1.00 12.53 H new ATOM 0 HB2 GLU A 91 16.882 -33.716 -13.963 1.00 33.30 H new ATOM 0 HB3 GLU A 91 16.649 -34.954 -12.744 1.00 33.30 H new ATOM 0 HG2 GLU A 91 14.526 -34.582 -14.837 1.00 71.32 H new ATOM 0 HG3 GLU A 91 16.023 -35.371 -15.291 1.00 71.32 H new ATOM 1429 N PRO A 92 15.891 -31.164 -13.492 1.00 14.23 N ATOM 1430 CA PRO A 92 15.759 -29.910 -14.239 1.00 54.23 C ATOM 1431 C PRO A 92 15.805 -30.127 -15.748 1.00 15.20 C ATOM 1432 O PRO A 92 16.617 -30.905 -16.248 1.00 51.23 O ATOM 1433 CB PRO A 92 16.969 -29.093 -13.779 1.00 61.54 C ATOM 1434 CG PRO A 92 17.970 -30.110 -13.350 1.00 1.34 C ATOM 1435 CD PRO A 92 17.179 -31.257 -12.785 1.00 21.11 C ATOM 0 HA PRO A 92 14.802 -29.422 -14.051 1.00 54.23 H new ATOM 0 HB2 PRO A 92 17.357 -28.471 -14.586 1.00 61.54 H new ATOM 0 HB3 PRO A 92 16.707 -28.424 -12.959 1.00 61.54 H new ATOM 0 HG2 PRO A 92 18.582 -30.435 -14.192 1.00 1.34 H new ATOM 0 HG3 PRO A 92 18.649 -29.699 -12.603 1.00 1.34 H new ATOM 0 HD2 PRO A 92 17.670 -32.213 -12.968 1.00 21.11 H new ATOM 0 HD3 PRO A 92 17.053 -31.165 -11.706 1.00 21.11 H new ATOM 1443 N ASP A 93 14.928 -29.434 -16.467 1.00 64.34 N ATOM 1444 CA ASP A 93 14.870 -29.550 -17.920 1.00 22.20 C ATOM 1445 C ASP A 93 14.577 -28.198 -18.562 1.00 3.32 C ATOM 1446 O ASP A 93 13.655 -27.492 -18.153 1.00 31.21 O ATOM 1447 CB ASP A 93 13.802 -30.565 -18.329 1.00 72.25 C ATOM 1448 CG ASP A 93 14.075 -31.176 -19.690 1.00 54.21 C ATOM 1449 OD1 ASP A 93 14.604 -30.460 -20.566 1.00 23.35 O ATOM 1450 OD2 ASP A 93 13.758 -32.369 -19.880 1.00 15.13 O ATOM 0 H ASP A 93 14.248 -28.787 -16.068 1.00 64.34 H new ATOM 0 HA ASP A 93 15.842 -29.895 -18.272 1.00 22.20 H new ATOM 0 HB2 ASP A 93 13.752 -31.357 -17.582 1.00 72.25 H new ATOM 0 HB3 ASP A 93 12.827 -30.077 -18.342 1.00 72.25 H new ATOM 1455 N ASP A 94 15.369 -27.842 -19.568 1.00 34.32 N ATOM 1456 CA ASP A 94 15.194 -26.574 -20.266 1.00 64.25 C ATOM 1457 C ASP A 94 13.830 -26.511 -20.946 1.00 11.13 C ATOM 1458 O ASP A 94 13.266 -25.433 -21.129 1.00 4.21 O ATOM 1459 CB ASP A 94 16.303 -26.382 -21.302 1.00 40.34 C ATOM 1460 CG ASP A 94 17.537 -25.725 -20.715 1.00 14.30 C ATOM 1461 OD1 ASP A 94 18.405 -26.454 -20.193 1.00 63.22 O ATOM 1462 OD2 ASP A 94 17.633 -24.481 -20.776 1.00 50.12 O ATOM 0 H ASP A 94 16.138 -28.414 -19.918 1.00 34.32 H new ATOM 0 HA ASP A 94 15.250 -25.772 -19.530 1.00 64.25 H new ATOM 0 HB2 ASP A 94 16.576 -27.350 -21.722 1.00 40.34 H new ATOM 0 HB3 ASP A 94 15.927 -25.773 -22.124 1.00 40.34 H new ATOM 1467 N ASN A 95 13.305 -27.674 -21.318 1.00 24.01 N ATOM 1468 CA ASN A 95 12.008 -27.751 -21.979 1.00 15.43 C ATOM 1469 C ASN A 95 10.873 -27.624 -20.966 1.00 63.32 C ATOM 1470 O ASN A 95 10.010 -26.754 -21.088 1.00 45.01 O ATOM 1471 CB ASN A 95 11.879 -29.069 -22.744 1.00 74.20 C ATOM 1472 CG ASN A 95 10.961 -28.953 -23.946 1.00 10.22 C ATOM 1473 OD1 ASN A 95 9.821 -28.502 -23.829 1.00 63.02 O ATOM 1474 ND2 ASN A 95 11.455 -29.360 -25.109 1.00 22.40 N ATOM 0 H ASN A 95 13.758 -28.576 -21.173 1.00 24.01 H new ATOM 0 HA ASN A 95 11.937 -26.922 -22.683 1.00 15.43 H new ATOM 0 HB2 ASN A 95 12.866 -29.392 -23.074 1.00 74.20 H new ATOM 0 HB3 ASN A 95 11.499 -29.840 -22.073 1.00 74.20 H new ATOM 0 HD21 ASN A 95 10.884 -29.306 -25.953 1.00 22.40 H new ATOM 0 HD22 ASN A 95 12.405 -29.727 -25.159 1.00 22.40 H new ATOM 1481 N THR A 96 10.881 -28.499 -19.965 1.00 72.00 N ATOM 1482 CA THR A 96 9.853 -28.486 -18.931 1.00 64.54 C ATOM 1483 C THR A 96 9.861 -27.169 -18.164 1.00 64.22 C ATOM 1484 O THR A 96 8.811 -26.657 -17.781 1.00 75.02 O ATOM 1485 CB THR A 96 10.043 -29.648 -17.937 1.00 54.31 C ATOM 1486 OG1 THR A 96 10.410 -30.840 -18.640 1.00 54.13 O ATOM 1487 CG2 THR A 96 8.769 -29.893 -17.143 1.00 34.11 C ATOM 0 H THR A 96 11.588 -29.225 -19.848 1.00 72.00 H new ATOM 0 HA THR A 96 8.894 -28.602 -19.436 1.00 64.54 H new ATOM 0 HB THR A 96 10.839 -29.377 -17.243 1.00 54.31 H new ATOM 0 HG1 THR A 96 10.530 -31.573 -18.001 1.00 54.13 H new ATOM 0 HG21 THR A 96 8.926 -30.718 -16.448 1.00 34.11 H new ATOM 0 HG22 THR A 96 8.509 -28.993 -16.586 1.00 34.11 H new ATOM 0 HG23 THR A 96 7.957 -30.144 -17.826 1.00 34.11 H new ATOM 1495 N ASN A 97 11.054 -26.625 -17.944 1.00 31.31 N ATOM 1496 CA ASN A 97 11.198 -25.366 -17.222 1.00 20.31 C ATOM 1497 C ASN A 97 10.364 -24.267 -17.873 1.00 62.23 C ATOM 1498 O ASN A 97 9.948 -23.316 -17.214 1.00 0.24 O ATOM 1499 CB ASN A 97 12.669 -24.947 -17.175 1.00 54.44 C ATOM 1500 CG ASN A 97 12.859 -23.575 -16.557 1.00 61.01 C ATOM 1501 OD1 ASN A 97 13.283 -22.633 -17.227 1.00 73.23 O ATOM 1502 ND2 ASN A 97 12.546 -23.457 -15.272 1.00 3.00 N ATOM 0 H ASN A 97 11.934 -27.036 -18.255 1.00 31.31 H new ATOM 0 HA ASN A 97 10.837 -25.516 -16.204 1.00 20.31 H new ATOM 0 HB2 ASN A 97 13.235 -25.682 -16.603 1.00 54.44 H new ATOM 0 HB3 ASN A 97 13.077 -24.947 -18.186 1.00 54.44 H new ATOM 0 HD21 ASN A 97 12.654 -22.559 -14.801 1.00 3.00 H new ATOM 0 HD22 ASN A 97 12.198 -24.265 -14.756 1.00 3.00 H new ATOM 1509 N GLY A 98 10.124 -24.406 -19.174 1.00 34.14 N ATOM 1510 CA GLY A 98 9.340 -23.419 -19.893 1.00 2.43 C ATOM 1511 C GLY A 98 10.017 -22.063 -19.937 1.00 55.34 C ATOM 1512 O GLY A 98 9.349 -21.029 -19.966 1.00 40.43 O ATOM 0 H GLY A 98 10.459 -25.184 -19.742 1.00 34.14 H new ATOM 0 HA2 GLY A 98 9.166 -23.768 -20.911 1.00 2.43 H new ATOM 0 HA3 GLY A 98 8.364 -23.319 -19.419 1.00 2.43 H new ATOM 1516 N PHE A 99 11.345 -22.066 -19.941 1.00 44.05 N ATOM 1517 CA PHE A 99 12.113 -20.827 -19.980 1.00 52.50 C ATOM 1518 C PHE A 99 11.672 -19.950 -21.148 1.00 53.15 C ATOM 1519 O PHE A 99 11.736 -18.722 -21.078 1.00 63.41 O ATOM 1520 CB PHE A 99 13.608 -21.131 -20.092 1.00 41.03 C ATOM 1521 CG PHE A 99 14.486 -20.000 -19.639 1.00 12.34 C ATOM 1522 CD1 PHE A 99 14.672 -18.885 -20.440 1.00 62.35 C ATOM 1523 CD2 PHE A 99 15.125 -20.051 -18.410 1.00 61.13 C ATOM 1524 CE1 PHE A 99 15.479 -17.842 -20.026 1.00 30.32 C ATOM 1525 CE2 PHE A 99 15.933 -19.011 -17.990 1.00 74.12 C ATOM 1526 CZ PHE A 99 16.111 -17.906 -18.799 1.00 52.04 C ATOM 0 H PHE A 99 11.913 -22.913 -19.918 1.00 44.05 H new ATOM 0 HA PHE A 99 11.928 -20.286 -19.052 1.00 52.50 H new ATOM 0 HB2 PHE A 99 13.836 -22.017 -19.499 1.00 41.03 H new ATOM 0 HB3 PHE A 99 13.845 -21.371 -21.128 1.00 41.03 H new ATOM 0 HD1 PHE A 99 14.180 -18.830 -21.400 1.00 62.35 H new ATOM 0 HD2 PHE A 99 14.990 -20.913 -17.773 1.00 61.13 H new ATOM 0 HE1 PHE A 99 15.615 -16.979 -20.660 1.00 30.32 H new ATOM 0 HE2 PHE A 99 16.425 -19.063 -17.030 1.00 74.12 H new ATOM 0 HZ PHE A 99 16.743 -17.093 -18.473 1.00 52.04 H new ATOM 1536 N LYS A 100 11.224 -20.589 -22.224 1.00 35.14 N ATOM 1537 CA LYS A 100 10.770 -19.870 -23.408 1.00 65.14 C ATOM 1538 C LYS A 100 9.602 -18.949 -23.072 1.00 70.13 C ATOM 1539 O LYS A 100 9.414 -17.912 -23.707 1.00 74.31 O ATOM 1540 CB LYS A 100 10.357 -20.857 -24.502 1.00 63.24 C ATOM 1541 CG LYS A 100 11.531 -21.446 -25.266 1.00 2.52 C ATOM 1542 CD LYS A 100 11.077 -22.141 -26.538 1.00 51.43 C ATOM 1543 CE LYS A 100 10.568 -21.143 -27.567 1.00 44.34 C ATOM 1544 NZ LYS A 100 10.387 -21.770 -28.906 1.00 3.11 N ATOM 0 H LYS A 100 11.166 -21.605 -22.300 1.00 35.14 H new ATOM 0 HA LYS A 100 11.597 -19.260 -23.771 1.00 65.14 H new ATOM 0 HB2 LYS A 100 9.785 -21.668 -24.051 1.00 63.24 H new ATOM 0 HB3 LYS A 100 9.694 -20.351 -25.204 1.00 63.24 H new ATOM 0 HG2 LYS A 100 12.238 -20.654 -25.515 1.00 2.52 H new ATOM 0 HG3 LYS A 100 12.060 -22.157 -24.631 1.00 2.52 H new ATOM 0 HD2 LYS A 100 11.906 -22.709 -26.960 1.00 51.43 H new ATOM 0 HD3 LYS A 100 10.289 -22.856 -26.302 1.00 51.43 H new ATOM 0 HE2 LYS A 100 9.619 -20.726 -27.230 1.00 44.34 H new ATOM 0 HE3 LYS A 100 11.270 -20.313 -27.647 1.00 44.34 H new ATOM 0 HZ1 LYS A 100 10.039 -21.057 -29.579 1.00 3.11 H new ATOM 0 HZ2 LYS A 100 11.298 -22.146 -29.239 1.00 3.11 H new ATOM 0 HZ3 LYS A 100 9.698 -22.545 -28.836 1.00 3.11 H new ATOM 1558 N GLY A 101 8.820 -19.335 -22.068 1.00 40.42 N ATOM 1559 CA GLY A 101 7.681 -18.531 -21.665 1.00 32.33 C ATOM 1560 C GLY A 101 8.073 -17.386 -20.753 1.00 51.40 C ATOM 1561 O GLY A 101 7.461 -16.317 -20.788 1.00 30.13 O ATOM 0 H GLY A 101 8.955 -20.189 -21.527 1.00 40.42 H new ATOM 0 HA2 GLY A 101 7.189 -18.133 -22.552 1.00 32.33 H new ATOM 0 HA3 GLY A 101 6.955 -19.165 -21.156 1.00 32.33 H new ATOM 1565 N LEU A 102 9.095 -17.607 -19.933 1.00 53.05 N ATOM 1566 CA LEU A 102 9.567 -16.585 -19.006 1.00 43.44 C ATOM 1567 C LEU A 102 10.377 -15.519 -19.738 1.00 0.33 C ATOM 1568 O LEU A 102 10.156 -14.322 -19.554 1.00 34.33 O ATOM 1569 CB LEU A 102 10.417 -17.221 -17.905 1.00 2.41 C ATOM 1570 CG LEU A 102 9.997 -18.621 -17.457 1.00 13.22 C ATOM 1571 CD1 LEU A 102 10.806 -19.059 -16.246 1.00 70.22 C ATOM 1572 CD2 LEU A 102 8.507 -18.657 -17.147 1.00 4.45 C ATOM 0 H LEU A 102 9.612 -18.485 -19.892 1.00 53.05 H new ATOM 0 HA LEU A 102 8.697 -16.108 -18.555 1.00 43.44 H new ATOM 0 HB2 LEU A 102 11.449 -17.267 -18.252 1.00 2.41 H new ATOM 0 HB3 LEU A 102 10.401 -16.563 -17.036 1.00 2.41 H new ATOM 0 HG LEU A 102 10.195 -19.317 -18.272 1.00 13.22 H new ATOM 0 HD11 LEU A 102 10.493 -20.058 -15.941 1.00 70.22 H new ATOM 0 HD12 LEU A 102 11.865 -19.073 -16.502 1.00 70.22 H new ATOM 0 HD13 LEU A 102 10.640 -18.361 -15.426 1.00 70.22 H new ATOM 0 HD21 LEU A 102 8.226 -19.661 -16.830 1.00 4.45 H new ATOM 0 HD22 LEU A 102 8.284 -17.948 -16.349 1.00 4.45 H new ATOM 0 HD23 LEU A 102 7.943 -18.387 -18.040 1.00 4.45 H new ATOM 1584 N MET A 103 11.314 -15.962 -20.569 1.00 44.22 N ATOM 1585 CA MET A 103 12.155 -15.045 -21.331 1.00 73.31 C ATOM 1586 C MET A 103 11.316 -14.214 -22.297 1.00 30.21 C ATOM 1587 O MET A 103 11.597 -13.037 -22.525 1.00 60.53 O ATOM 1588 CB MET A 103 13.223 -15.822 -22.103 1.00 42.43 C ATOM 1589 CG MET A 103 14.269 -14.932 -22.755 1.00 52.53 C ATOM 1590 SD MET A 103 15.392 -14.187 -21.557 1.00 70.12 S ATOM 1591 CE MET A 103 14.715 -12.533 -21.441 1.00 43.22 C ATOM 0 H MET A 103 11.511 -16.949 -20.732 1.00 44.22 H new ATOM 0 HA MET A 103 12.644 -14.370 -20.629 1.00 73.31 H new ATOM 0 HB2 MET A 103 13.720 -16.514 -21.423 1.00 42.43 H new ATOM 0 HB3 MET A 103 12.738 -16.423 -22.872 1.00 42.43 H new ATOM 0 HG2 MET A 103 14.845 -15.519 -23.471 1.00 52.53 H new ATOM 0 HG3 MET A 103 13.770 -14.144 -23.318 1.00 52.53 H new ATOM 0 HE1 MET A 103 15.441 -11.815 -21.823 1.00 43.22 H new ATOM 0 HE2 MET A 103 13.800 -12.472 -22.030 1.00 43.22 H new ATOM 0 HE3 MET A 103 14.491 -12.304 -20.399 1.00 43.22 H new ATOM 1601 N LYS A 104 10.285 -14.833 -22.862 1.00 21.41 N ATOM 1602 CA LYS A 104 9.404 -14.151 -23.803 1.00 22.34 C ATOM 1603 C LYS A 104 8.460 -13.201 -23.073 1.00 30.32 C ATOM 1604 O LYS A 104 8.098 -12.147 -23.596 1.00 62.42 O ATOM 1605 CB LYS A 104 8.596 -15.171 -24.608 1.00 64.41 C ATOM 1606 CG LYS A 104 9.388 -15.829 -25.725 1.00 41.43 C ATOM 1607 CD LYS A 104 9.788 -14.823 -26.792 1.00 12.11 C ATOM 1608 CE LYS A 104 10.398 -15.509 -28.005 1.00 34.14 C ATOM 1609 NZ LYS A 104 9.375 -16.248 -28.796 1.00 42.23 N ATOM 0 H LYS A 104 10.039 -15.807 -22.684 1.00 21.41 H new ATOM 0 HA LYS A 104 10.023 -13.568 -24.485 1.00 22.34 H new ATOM 0 HB2 LYS A 104 8.226 -15.943 -23.933 1.00 64.41 H new ATOM 0 HB3 LYS A 104 7.724 -14.676 -25.035 1.00 64.41 H new ATOM 0 HG2 LYS A 104 10.281 -16.297 -25.312 1.00 41.43 H new ATOM 0 HG3 LYS A 104 8.792 -16.622 -26.176 1.00 41.43 H new ATOM 0 HD2 LYS A 104 8.913 -14.249 -27.099 1.00 12.11 H new ATOM 0 HD3 LYS A 104 10.504 -14.114 -26.375 1.00 12.11 H new ATOM 0 HE2 LYS A 104 10.880 -14.765 -28.639 1.00 34.14 H new ATOM 0 HE3 LYS A 104 11.175 -16.201 -27.679 1.00 34.14 H new ATOM 0 HZ1 LYS A 104 9.780 -16.529 -29.712 1.00 42.23 H new ATOM 0 HZ2 LYS A 104 9.079 -17.097 -28.274 1.00 42.23 H new ATOM 0 HZ3 LYS A 104 8.550 -15.635 -28.956 1.00 42.23 H new ATOM 1623 N ARG A 105 8.066 -13.581 -21.862 1.00 12.34 N ATOM 1624 CA ARG A 105 7.164 -12.762 -21.060 1.00 50.04 C ATOM 1625 C ARG A 105 7.890 -11.543 -20.500 1.00 2.25 C ATOM 1626 O ARG A 105 7.289 -10.487 -20.295 1.00 61.51 O ATOM 1627 CB ARG A 105 6.572 -13.587 -19.916 1.00 62.44 C ATOM 1628 CG ARG A 105 5.270 -14.284 -20.278 1.00 4.22 C ATOM 1629 CD ARG A 105 5.010 -15.480 -19.376 1.00 72.32 C ATOM 1630 NE ARG A 105 4.204 -16.501 -20.041 1.00 12.04 N ATOM 1631 CZ ARG A 105 4.009 -17.719 -19.548 1.00 71.21 C ATOM 1632 NH1 ARG A 105 4.559 -18.066 -18.393 1.00 35.44 N ATOM 1633 NH2 ARG A 105 3.262 -18.593 -20.212 1.00 4.24 N ATOM 0 H ARG A 105 8.357 -14.450 -21.415 1.00 12.34 H new ATOM 0 HA ARG A 105 6.356 -12.417 -21.706 1.00 50.04 H new ATOM 0 HB2 ARG A 105 7.300 -14.335 -19.604 1.00 62.44 H new ATOM 0 HB3 ARG A 105 6.399 -12.934 -19.060 1.00 62.44 H new ATOM 0 HG2 ARG A 105 4.443 -13.578 -20.196 1.00 4.22 H new ATOM 0 HG3 ARG A 105 5.308 -14.612 -21.317 1.00 4.22 H new ATOM 0 HD2 ARG A 105 5.961 -15.914 -19.066 1.00 72.32 H new ATOM 0 HD3 ARG A 105 4.501 -15.148 -18.471 1.00 72.32 H new ATOM 0 HE ARG A 105 3.767 -16.266 -20.932 1.00 12.04 H new ATOM 0 HH11 ARG A 105 5.134 -17.397 -17.880 1.00 35.44 H new ATOM 0 HH12 ARG A 105 4.408 -19.002 -18.017 1.00 35.44 H new ATOM 0 HH21 ARG A 105 2.837 -18.329 -21.101 1.00 4.24 H new ATOM 0 HH22 ARG A 105 3.113 -19.528 -19.833 1.00 4.24 H new ATOM 1647 N THR A 106 9.187 -11.695 -20.252 1.00 25.13 N ATOM 1648 CA THR A 106 9.995 -10.608 -19.713 1.00 65.41 C ATOM 1649 C THR A 106 10.401 -9.630 -20.809 1.00 2.51 C ATOM 1650 O THR A 106 10.194 -8.422 -20.686 1.00 4.24 O ATOM 1651 CB THR A 106 11.264 -11.141 -19.021 1.00 22.30 C ATOM 1652 OG1 THR A 106 12.054 -11.887 -19.954 1.00 23.35 O ATOM 1653 CG2 THR A 106 10.904 -12.023 -17.835 1.00 12.13 C ATOM 0 H THR A 106 9.701 -12.561 -20.416 1.00 25.13 H new ATOM 0 HA THR A 106 9.379 -10.091 -18.977 1.00 65.41 H new ATOM 0 HB THR A 106 11.839 -10.289 -18.658 1.00 22.30 H new ATOM 0 HG1 THR A 106 12.513 -12.615 -19.485 1.00 23.35 H new ATOM 0 HG21 THR A 106 11.816 -12.388 -17.363 1.00 12.13 H new ATOM 0 HG22 THR A 106 10.328 -11.445 -17.113 1.00 12.13 H new ATOM 0 HG23 THR A 106 10.310 -12.870 -18.178 1.00 12.13 H new ATOM 1661 N THR A 107 10.980 -10.157 -21.883 1.00 61.41 N ATOM 1662 CA THR A 107 11.415 -9.330 -23.001 1.00 64.01 C ATOM 1663 C THR A 107 10.291 -8.419 -23.481 1.00 64.24 C ATOM 1664 O THR A 107 10.531 -7.284 -23.894 1.00 62.33 O ATOM 1665 CB THR A 107 11.902 -10.192 -24.181 1.00 44.44 C ATOM 1666 OG1 THR A 107 12.360 -9.350 -25.246 1.00 73.41 O ATOM 1667 CG2 THR A 107 10.789 -11.097 -24.686 1.00 50.02 C ATOM 0 H THR A 107 11.159 -11.154 -22.002 1.00 61.41 H new ATOM 0 HA THR A 107 12.243 -8.720 -22.640 1.00 64.01 H new ATOM 0 HB THR A 107 12.725 -10.816 -23.832 1.00 44.44 H new ATOM 0 HG1 THR A 107 12.669 -9.905 -25.992 1.00 73.41 H new ATOM 0 HG21 THR A 107 11.157 -11.696 -25.519 1.00 50.02 H new ATOM 0 HG22 THR A 107 10.463 -11.756 -23.881 1.00 50.02 H new ATOM 0 HG23 THR A 107 9.949 -10.489 -25.020 1.00 50.02 H new ATOM 1675 N LYS A 108 9.063 -8.923 -23.424 1.00 41.54 N ATOM 1676 CA LYS A 108 7.900 -8.154 -23.852 1.00 1.14 C ATOM 1677 C LYS A 108 7.713 -6.918 -22.977 1.00 64.11 C ATOM 1678 O LYS A 108 7.415 -5.832 -23.475 1.00 55.11 O ATOM 1679 CB LYS A 108 6.642 -9.023 -23.800 1.00 35.00 C ATOM 1680 CG LYS A 108 5.566 -8.595 -24.783 1.00 52.31 C ATOM 1681 CD LYS A 108 5.735 -9.280 -26.129 1.00 21.25 C ATOM 1682 CE LYS A 108 4.848 -8.649 -27.191 1.00 21.40 C ATOM 1683 NZ LYS A 108 5.235 -9.079 -28.563 1.00 45.33 N ATOM 0 H LYS A 108 8.847 -9.861 -23.086 1.00 41.54 H new ATOM 0 HA LYS A 108 8.068 -7.829 -24.879 1.00 1.14 H new ATOM 0 HB2 LYS A 108 6.917 -10.058 -24.003 1.00 35.00 H new ATOM 0 HB3 LYS A 108 6.232 -8.994 -22.790 1.00 35.00 H new ATOM 0 HG2 LYS A 108 4.584 -8.832 -24.374 1.00 52.31 H new ATOM 0 HG3 LYS A 108 5.604 -7.514 -24.917 1.00 52.31 H new ATOM 0 HD2 LYS A 108 6.778 -9.219 -26.441 1.00 21.25 H new ATOM 0 HD3 LYS A 108 5.493 -10.338 -26.033 1.00 21.25 H new ATOM 0 HE2 LYS A 108 3.809 -8.921 -27.005 1.00 21.40 H new ATOM 0 HE3 LYS A 108 4.911 -7.563 -27.119 1.00 21.40 H new ATOM 0 HZ1 LYS A 108 4.607 -8.628 -29.258 1.00 45.33 H new ATOM 0 HZ2 LYS A 108 6.218 -8.798 -28.751 1.00 45.33 H new ATOM 0 HZ3 LYS A 108 5.150 -10.113 -28.640 1.00 45.33 H new ATOM 1697 N LEU A 109 7.893 -7.090 -21.672 1.00 72.01 N ATOM 1698 CA LEU A 109 7.746 -5.988 -20.728 1.00 13.21 C ATOM 1699 C LEU A 109 8.967 -5.074 -20.763 1.00 33.33 C ATOM 1700 O LEU A 109 8.846 -3.854 -20.648 1.00 52.22 O ATOM 1701 CB LEU A 109 7.539 -6.528 -19.312 1.00 12.33 C ATOM 1702 CG LEU A 109 6.237 -7.292 -19.068 1.00 51.13 C ATOM 1703 CD1 LEU A 109 6.266 -7.977 -17.711 1.00 11.12 C ATOM 1704 CD2 LEU A 109 5.042 -6.355 -19.170 1.00 32.53 C ATOM 0 H LEU A 109 8.141 -7.982 -21.244 1.00 72.01 H new ATOM 0 HA LEU A 109 6.872 -5.406 -21.020 1.00 13.21 H new ATOM 0 HB2 LEU A 109 8.374 -7.186 -19.070 1.00 12.33 H new ATOM 0 HB3 LEU A 109 7.581 -5.691 -18.616 1.00 12.33 H new ATOM 0 HG LEU A 109 6.139 -8.059 -19.836 1.00 51.13 H new ATOM 0 HD11 LEU A 109 5.331 -8.516 -17.555 1.00 11.12 H new ATOM 0 HD12 LEU A 109 7.099 -8.679 -17.675 1.00 11.12 H new ATOM 0 HD13 LEU A 109 6.388 -7.228 -16.928 1.00 11.12 H new ATOM 0 HD21 LEU A 109 4.124 -6.916 -18.994 1.00 32.53 H new ATOM 0 HD22 LEU A 109 5.134 -5.565 -18.424 1.00 32.53 H new ATOM 0 HD23 LEU A 109 5.011 -5.912 -20.165 1.00 32.53 H new ATOM 1716 N LEU A 110 10.142 -5.672 -20.924 1.00 31.24 N ATOM 1717 CA LEU A 110 11.386 -4.912 -20.976 1.00 62.43 C ATOM 1718 C LEU A 110 11.420 -4.007 -22.203 1.00 53.13 C ATOM 1719 O LEU A 110 11.864 -2.861 -22.131 1.00 64.10 O ATOM 1720 CB LEU A 110 12.586 -5.861 -20.996 1.00 32.33 C ATOM 1721 CG LEU A 110 13.142 -6.268 -19.631 1.00 33.54 C ATOM 1722 CD1 LEU A 110 13.594 -5.043 -18.851 1.00 60.35 C ATOM 1723 CD2 LEU A 110 12.101 -7.050 -18.842 1.00 54.33 C ATOM 0 H LEU A 110 10.260 -6.681 -21.021 1.00 31.24 H new ATOM 0 HA LEU A 110 11.439 -4.287 -20.084 1.00 62.43 H new ATOM 0 HB2 LEU A 110 12.300 -6.765 -21.534 1.00 32.33 H new ATOM 0 HB3 LEU A 110 13.387 -5.390 -21.567 1.00 32.33 H new ATOM 0 HG LEU A 110 14.007 -6.911 -19.791 1.00 33.54 H new ATOM 0 HD11 LEU A 110 13.987 -5.353 -17.882 1.00 60.35 H new ATOM 0 HD12 LEU A 110 14.373 -4.523 -19.409 1.00 60.35 H new ATOM 0 HD13 LEU A 110 12.747 -4.374 -18.702 1.00 60.35 H new ATOM 0 HD21 LEU A 110 12.514 -7.331 -17.873 1.00 54.33 H new ATOM 0 HD22 LEU A 110 11.217 -6.431 -18.693 1.00 54.33 H new ATOM 0 HD23 LEU A 110 11.826 -7.949 -19.394 1.00 54.33 H new ATOM 1735 N LYS A 111 10.945 -4.528 -23.330 1.00 15.44 N ATOM 1736 CA LYS A 111 10.916 -3.766 -24.573 1.00 21.32 C ATOM 1737 C LYS A 111 10.102 -2.487 -24.409 1.00 3.34 C ATOM 1738 O LYS A 111 10.268 -1.531 -25.168 1.00 31.54 O ATOM 1739 CB LYS A 111 10.328 -4.616 -25.702 1.00 4.12 C ATOM 1740 CG LYS A 111 11.358 -5.475 -26.416 1.00 34.15 C ATOM 1741 CD LYS A 111 12.205 -4.652 -27.371 1.00 51.13 C ATOM 1742 CE LYS A 111 13.110 -5.536 -28.216 1.00 50.50 C ATOM 1743 NZ LYS A 111 14.210 -6.135 -27.410 1.00 15.40 N ATOM 0 H LYS A 111 10.575 -5.475 -23.408 1.00 15.44 H new ATOM 0 HA LYS A 111 11.940 -3.493 -24.827 1.00 21.32 H new ATOM 0 HB2 LYS A 111 9.550 -5.261 -25.293 1.00 4.12 H new ATOM 0 HB3 LYS A 111 9.849 -3.959 -26.428 1.00 4.12 H new ATOM 0 HG2 LYS A 111 12.002 -5.958 -25.681 1.00 34.15 H new ATOM 0 HG3 LYS A 111 10.853 -6.268 -26.967 1.00 34.15 H new ATOM 0 HD2 LYS A 111 11.556 -4.066 -28.022 1.00 51.13 H new ATOM 0 HD3 LYS A 111 12.811 -3.945 -26.805 1.00 51.13 H new ATOM 0 HE2 LYS A 111 12.519 -6.331 -28.671 1.00 50.50 H new ATOM 0 HE3 LYS A 111 13.535 -4.948 -29.030 1.00 50.50 H new ATOM 0 HZ1 LYS A 111 14.804 -6.730 -28.022 1.00 15.40 H new ATOM 0 HZ2 LYS A 111 14.789 -5.377 -26.996 1.00 15.40 H new ATOM 0 HZ3 LYS A 111 13.805 -6.717 -26.649 1.00 15.40 H new ATOM 1757 N LYS A 112 9.223 -2.474 -23.412 1.00 45.42 N ATOM 1758 CA LYS A 112 8.385 -1.311 -23.146 1.00 3.42 C ATOM 1759 C LYS A 112 9.110 -0.312 -22.249 1.00 15.04 C ATOM 1760 O LYS A 112 8.883 0.895 -22.337 1.00 24.10 O ATOM 1761 CB LYS A 112 7.072 -1.742 -22.490 1.00 32.41 C ATOM 1762 CG LYS A 112 6.137 -2.484 -23.430 1.00 42.43 C ATOM 1763 CD LYS A 112 5.229 -3.440 -22.675 1.00 45.21 C ATOM 1764 CE LYS A 112 3.849 -3.515 -23.308 1.00 54.34 C ATOM 1765 NZ LYS A 112 3.077 -2.257 -23.107 1.00 43.24 N ATOM 0 H LYS A 112 9.073 -3.256 -22.775 1.00 45.42 H new ATOM 0 HA LYS A 112 8.166 -0.827 -24.098 1.00 3.42 H new ATOM 0 HB2 LYS A 112 7.295 -2.380 -21.635 1.00 32.41 H new ATOM 0 HB3 LYS A 112 6.561 -0.859 -22.105 1.00 32.41 H new ATOM 0 HG2 LYS A 112 5.531 -1.766 -23.983 1.00 42.43 H new ATOM 0 HG3 LYS A 112 6.722 -3.039 -24.163 1.00 42.43 H new ATOM 0 HD2 LYS A 112 5.678 -4.433 -22.659 1.00 45.21 H new ATOM 0 HD3 LYS A 112 5.138 -3.115 -21.639 1.00 45.21 H new ATOM 0 HE2 LYS A 112 3.949 -3.713 -24.375 1.00 54.34 H new ATOM 0 HE3 LYS A 112 3.298 -4.352 -22.879 1.00 54.34 H new ATOM 0 HZ1 LYS A 112 2.064 -2.444 -23.254 1.00 43.24 H new ATOM 0 HZ2 LYS A 112 3.228 -1.908 -22.139 1.00 43.24 H new ATOM 0 HZ3 LYS A 112 3.399 -1.540 -23.788 1.00 43.24 H new ATOM 1779 N VAL A 113 9.982 -0.823 -21.386 1.00 3.11 N ATOM 1780 CA VAL A 113 10.742 0.025 -20.474 1.00 72.54 C ATOM 1781 C VAL A 113 11.916 0.685 -21.188 1.00 21.12 C ATOM 1782 O VAL A 113 12.341 1.781 -20.823 1.00 43.21 O ATOM 1783 CB VAL A 113 11.272 -0.779 -19.272 1.00 12.53 C ATOM 1784 CG1 VAL A 113 12.081 0.117 -18.346 1.00 13.30 C ATOM 1785 CG2 VAL A 113 10.123 -1.435 -18.522 1.00 14.02 C ATOM 0 H VAL A 113 10.180 -1.820 -21.299 1.00 3.11 H new ATOM 0 HA VAL A 113 10.060 0.795 -20.114 1.00 72.54 H new ATOM 0 HB VAL A 113 11.929 -1.565 -19.644 1.00 12.53 H new ATOM 0 HG11 VAL A 113 12.447 -0.468 -17.502 1.00 13.30 H new ATOM 0 HG12 VAL A 113 12.926 0.536 -18.892 1.00 13.30 H new ATOM 0 HG13 VAL A 113 11.449 0.926 -17.979 1.00 13.30 H new ATOM 0 HG21 VAL A 113 10.516 -1.999 -17.676 1.00 14.02 H new ATOM 0 HG22 VAL A 113 9.439 -0.667 -18.160 1.00 14.02 H new ATOM 0 HG23 VAL A 113 9.590 -2.110 -19.192 1.00 14.02 H new ATOM 1795 N VAL A 114 12.437 0.010 -22.208 1.00 52.41 N ATOM 1796 CA VAL A 114 13.562 0.532 -22.975 1.00 12.10 C ATOM 1797 C VAL A 114 13.231 1.892 -23.579 1.00 44.31 C ATOM 1798 O VAL A 114 14.123 2.700 -23.840 1.00 50.22 O ATOM 1799 CB VAL A 114 13.968 -0.434 -24.104 1.00 13.11 C ATOM 1800 CG1 VAL A 114 14.166 -1.840 -23.558 1.00 51.23 C ATOM 1801 CG2 VAL A 114 12.926 -0.425 -25.212 1.00 73.22 C ATOM 0 H VAL A 114 12.098 -0.899 -22.522 1.00 52.41 H new ATOM 0 HA VAL A 114 14.396 0.639 -22.281 1.00 12.10 H new ATOM 0 HB VAL A 114 14.915 -0.097 -24.525 1.00 13.11 H new ATOM 0 HG11 VAL A 114 14.452 -2.509 -24.370 1.00 51.23 H new ATOM 0 HG12 VAL A 114 14.951 -1.830 -22.802 1.00 51.23 H new ATOM 0 HG13 VAL A 114 13.236 -2.191 -23.110 1.00 51.23 H new ATOM 0 HG21 VAL A 114 13.229 -1.113 -26.002 1.00 73.22 H new ATOM 0 HG22 VAL A 114 11.963 -0.737 -24.808 1.00 73.22 H new ATOM 0 HG23 VAL A 114 12.839 0.581 -25.621 1.00 73.22 H new ATOM 1811 N ASP A 115 11.945 2.139 -23.798 1.00 53.14 N ATOM 1812 CA ASP A 115 11.495 3.403 -24.371 1.00 22.13 C ATOM 1813 C ASP A 115 11.584 4.527 -23.343 1.00 34.30 C ATOM 1814 O ASP A 115 11.454 5.704 -23.681 1.00 30.42 O ATOM 1815 CB ASP A 115 10.059 3.274 -24.882 1.00 24.13 C ATOM 1816 CG ASP A 115 9.726 4.307 -25.940 1.00 4.32 C ATOM 1817 OD1 ASP A 115 10.644 5.043 -26.361 1.00 31.03 O ATOM 1818 OD2 ASP A 115 8.549 4.380 -26.348 1.00 34.14 O ATOM 0 H ASP A 115 11.195 1.481 -23.588 1.00 53.14 H new ATOM 0 HA ASP A 115 12.149 3.648 -25.208 1.00 22.13 H new ATOM 0 HB2 ASP A 115 9.911 2.276 -25.294 1.00 24.13 H new ATOM 0 HB3 ASP A 115 9.368 3.379 -24.046 1.00 24.13 H new ATOM 1823 N LYS A 116 11.804 4.156 -22.086 1.00 40.22 N ATOM 1824 CA LYS A 116 11.910 5.132 -21.008 1.00 21.23 C ATOM 1825 C LYS A 116 13.367 5.500 -20.749 1.00 4.51 C ATOM 1826 O LYS A 116 13.742 6.672 -20.811 1.00 22.14 O ATOM 1827 CB LYS A 116 11.278 4.579 -19.728 1.00 52.13 C ATOM 1828 CG LYS A 116 9.920 5.181 -19.412 1.00 11.44 C ATOM 1829 CD LYS A 116 8.885 4.105 -19.129 1.00 52.43 C ATOM 1830 CE LYS A 116 7.472 4.614 -19.371 1.00 51.20 C ATOM 1831 NZ LYS A 116 7.031 5.555 -18.304 1.00 32.51 N ATOM 0 H LYS A 116 11.912 3.186 -21.789 1.00 40.22 H new ATOM 0 HA LYS A 116 11.374 6.031 -21.312 1.00 21.23 H new ATOM 0 HB2 LYS A 116 11.174 3.498 -19.822 1.00 52.13 H new ATOM 0 HB3 LYS A 116 11.952 4.763 -18.891 1.00 52.13 H new ATOM 0 HG2 LYS A 116 10.006 5.841 -18.549 1.00 11.44 H new ATOM 0 HG3 LYS A 116 9.589 5.794 -20.250 1.00 11.44 H new ATOM 0 HD2 LYS A 116 9.075 3.240 -19.764 1.00 52.43 H new ATOM 0 HD3 LYS A 116 8.980 3.770 -18.096 1.00 52.43 H new ATOM 0 HE2 LYS A 116 7.427 5.115 -20.338 1.00 51.20 H new ATOM 0 HE3 LYS A 116 6.785 3.769 -19.417 1.00 51.20 H new ATOM 0 HZ1 LYS A 116 6.167 6.046 -18.610 1.00 32.51 H new ATOM 0 HZ2 LYS A 116 6.837 5.024 -17.431 1.00 32.51 H new ATOM 0 HZ3 LYS A 116 7.781 6.253 -18.125 1.00 32.51 H new ATOM 1845 N HIS A 117 14.186 4.493 -20.460 1.00 53.44 N ATOM 1846 CA HIS A 117 15.603 4.712 -20.194 1.00 41.35 C ATOM 1847 C HIS A 117 16.467 3.873 -21.130 1.00 64.34 C ATOM 1848 O HIS A 117 17.616 4.216 -21.406 1.00 50.51 O ATOM 1849 CB HIS A 117 15.929 4.374 -18.740 1.00 32.45 C ATOM 1850 CG HIS A 117 14.950 4.942 -17.759 1.00 31.13 C ATOM 1851 ND1 HIS A 117 15.039 6.226 -17.264 1.00 63.02 N ATOM 1852 CD2 HIS A 117 13.855 4.394 -17.182 1.00 21.53 C ATOM 1853 CE1 HIS A 117 14.043 6.442 -16.424 1.00 51.32 C ATOM 1854 NE2 HIS A 117 13.309 5.346 -16.357 1.00 24.03 N ATOM 0 H HIS A 117 13.892 3.518 -20.404 1.00 53.44 H new ATOM 0 HA HIS A 117 15.822 5.765 -20.372 1.00 41.35 H new ATOM 0 HB2 HIS A 117 15.959 3.290 -18.625 1.00 32.45 H new ATOM 0 HB3 HIS A 117 16.926 4.747 -18.504 1.00 32.45 H new ATOM 0 HD2 HIS A 117 13.480 3.394 -17.341 1.00 21.53 H new ATOM 0 HE1 HIS A 117 13.860 7.359 -15.884 1.00 51.32 H new ATOM 0 HE2 HIS A 117 12.473 5.226 -15.785 1.00 24.03 H new ATOM 1862 N GLY A 118 15.907 2.769 -21.615 1.00 74.23 N ATOM 1863 CA GLY A 118 16.641 1.897 -22.514 1.00 14.21 C ATOM 1864 C GLY A 118 17.139 0.642 -21.826 1.00 2.14 C ATOM 1865 O GLY A 118 18.225 0.148 -22.131 1.00 51.25 O ATOM 0 H GLY A 118 14.958 2.463 -21.401 1.00 74.23 H new ATOM 0 HA2 GLY A 118 15.999 1.619 -23.350 1.00 14.21 H new ATOM 0 HA3 GLY A 118 17.489 2.440 -22.930 1.00 14.21 H new ATOM 1869 N ILE A 119 16.346 0.126 -20.893 1.00 30.01 N ATOM 1870 CA ILE A 119 16.714 -1.079 -20.159 1.00 52.32 C ATOM 1871 C ILE A 119 17.111 -2.202 -21.111 1.00 32.22 C ATOM 1872 O ILE A 119 16.267 -2.771 -21.802 1.00 35.31 O ATOM 1873 CB ILE A 119 15.561 -1.565 -19.261 1.00 52.03 C ATOM 1874 CG1 ILE A 119 15.216 -0.502 -18.216 1.00 40.13 C ATOM 1875 CG2 ILE A 119 15.932 -2.877 -18.587 1.00 71.42 C ATOM 1876 CD1 ILE A 119 16.366 -0.167 -17.292 1.00 61.44 C ATOM 0 H ILE A 119 15.445 0.523 -20.627 1.00 30.01 H new ATOM 0 HA ILE A 119 17.567 -0.819 -19.532 1.00 52.32 H new ATOM 0 HB ILE A 119 14.682 -1.734 -19.883 1.00 52.03 H new ATOM 0 HG12 ILE A 119 14.894 0.406 -18.726 1.00 40.13 H new ATOM 0 HG13 ILE A 119 14.372 -0.850 -17.621 1.00 40.13 H new ATOM 0 HG21 ILE A 119 15.107 -3.208 -17.956 1.00 71.42 H new ATOM 0 HG22 ILE A 119 16.133 -3.632 -19.347 1.00 71.42 H new ATOM 0 HG23 ILE A 119 16.822 -2.733 -17.975 1.00 71.42 H new ATOM 0 HD11 ILE A 119 16.049 0.593 -16.578 1.00 61.44 H new ATOM 0 HD12 ILE A 119 16.674 -1.064 -16.755 1.00 61.44 H new ATOM 0 HD13 ILE A 119 17.204 0.211 -17.877 1.00 61.44 H new ATOM 1888 N ALA A 120 18.402 -2.517 -21.139 1.00 75.54 N ATOM 1889 CA ALA A 120 18.910 -3.576 -22.003 1.00 3.20 C ATOM 1890 C ALA A 120 18.482 -4.950 -21.498 1.00 41.44 C ATOM 1891 O ALA A 120 19.114 -5.519 -20.608 1.00 23.11 O ATOM 1892 CB ALA A 120 20.427 -3.496 -22.099 1.00 13.45 C ATOM 0 H ALA A 120 19.114 -2.055 -20.574 1.00 75.54 H new ATOM 0 HA ALA A 120 18.485 -3.435 -22.997 1.00 3.20 H new ATOM 0 HB1 ALA A 120 20.793 -4.292 -22.747 1.00 13.45 H new ATOM 0 HB2 ALA A 120 20.715 -2.530 -22.513 1.00 13.45 H new ATOM 0 HB3 ALA A 120 20.861 -3.608 -21.105 1.00 13.45 H new