USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 674 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 0 HIS : +bothHN:sc= -3.93 K(o=-7.7,f=-19!) USER MOD Set 1.2: A 39 HIS : no HD1:sc= -0.258! C(o=-7.7!,f=-14!) USER MOD Set 1.3: A 52 GLN : amide:sc= -1.81! C(o=-7.7!,f=-15!) USER MOD Set 1.4: A 56 ASN : amide:sc= -1.68 K(o=-7.7,f=-15!) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= -1.2 USER MOD Set 2.2: A 7 LYS NZ :NH3+ -170:sc= 1.13 (180deg=0.0258) USER MOD Set 2.3: A 29 GLN : amide:sc= -1.67! C(o=-3.5!,f=-7.8!) USER MOD Set 2.4: A 31 LYS NZ :NH3+ -117:sc= -1.77! (180deg=-3.05!) USER MOD Set 2.5: A 62 SER OG : rot 180:sc=-0.00611 USER MOD Single : A 1 MET CE :methyl -179:sc= -0.783 (180deg=-0.795) USER MOD Single : A 9 ASN : amide:sc= -0.0111 K(o=-0.011,f=-0.63) USER MOD Single : A -5 HIS : no HD1:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A -7 SER OG : rot 180:sc= 0 USER MOD Single : A -8 SER OG : rot 180:sc= 0 USER MOD Single : A -9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -9 HIS N :NH3+ -171:sc= 0 (180deg=-0.0977) USER MOD Single : A 13 GLN : amide:sc= -2.13 X(o=-2.1,f=-2.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.114) USER MOD Single : A 43 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-8.5!) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc=-0.00463 (180deg=-0.104) USER MOD Single : A 48 TYR OH : rot 174:sc= -1.35 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -4.97! C(o=-5!,f=-8.4!) USER MOD Single : A 63 SER OG : rot 77:sc= 1.26 USER MOD Single : A 67 SER OG : rot 62:sc= 0.901 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.553 K(o=-0.55,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 147:sc= -2.05! (180deg=-4.02!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -9 2.445 25.084 -9.912 1.00 10.50 N ATOM 2 CA HIS A -9 1.329 24.272 -10.450 1.00 10.47 C ATOM 3 C HIS A -9 1.802 22.873 -10.835 1.00 9.92 C ATOM 4 O HIS A -9 1.072 21.899 -10.674 1.00 9.95 O ATOM 5 CB HIS A -9 0.702 24.966 -11.668 1.00 10.88 C ATOM 6 CG HIS A -9 -0.398 24.178 -12.317 1.00 11.33 C ATOM 7 ND1 HIS A -9 -0.273 23.593 -13.557 1.00 11.58 N ATOM 8 CD2 HIS A -9 -1.651 23.883 -11.893 1.00 11.79 C ATOM 9 CE1 HIS A -9 -1.393 22.971 -13.866 1.00 12.14 C ATOM 10 NE2 HIS A -9 -2.246 23.130 -12.874 1.00 12.26 N ATOM 0 H1 HIS A -9 2.071 25.971 -9.518 1.00 10.50 H new ATOM 0 H2 HIS A -9 2.932 24.551 -9.163 1.00 10.50 H new ATOM 0 H3 HIS A -9 3.117 25.301 -10.676 1.00 10.50 H new ATOM 0 HA HIS A -9 0.577 24.176 -9.667 1.00 10.47 H new ATOM 0 HB2 HIS A -9 0.309 25.935 -11.359 1.00 10.88 H new ATOM 0 HB3 HIS A -9 1.481 25.159 -12.405 1.00 10.88 H new ATOM 0 HD2 HIS A -9 -2.098 24.184 -10.957 1.00 11.79 H new ATOM 0 HE1 HIS A -9 -1.580 22.424 -14.778 1.00 12.14 H new ATOM 0 HE2 HIS A -9 -3.194 22.755 -12.841 1.00 12.26 H new ATOM 19 N SER A -8 3.021 22.767 -11.341 1.00 9.64 N ATOM 20 CA SER A -8 3.551 21.482 -11.773 1.00 9.30 C ATOM 21 C SER A -8 4.116 20.689 -10.590 1.00 8.71 C ATOM 22 O SER A -8 5.249 20.208 -10.628 1.00 8.43 O ATOM 23 CB SER A -8 4.625 21.702 -12.839 1.00 9.57 C ATOM 24 OG SER A -8 4.102 22.436 -13.937 1.00 9.77 O ATOM 0 H SER A -8 3.661 23.552 -11.463 1.00 9.64 H new ATOM 0 HA SER A -8 2.737 20.896 -12.201 1.00 9.30 H new ATOM 0 HB2 SER A -8 5.469 22.239 -12.406 1.00 9.57 H new ATOM 0 HB3 SER A -8 5.003 20.740 -13.185 1.00 9.57 H new ATOM 0 HG SER A -8 4.805 22.568 -14.607 1.00 9.77 H new ATOM 30 N SER A -7 3.297 20.519 -9.556 1.00 8.68 N ATOM 31 CA SER A -7 3.709 19.817 -8.345 1.00 8.25 C ATOM 32 C SER A -7 3.671 18.303 -8.540 1.00 7.71 C ATOM 33 O SER A -7 3.818 17.541 -7.585 1.00 7.67 O ATOM 34 CB SER A -7 2.806 20.221 -7.176 1.00 9.17 C ATOM 35 OG SER A -7 2.812 21.626 -6.989 1.00 9.57 O ATOM 0 H SER A -7 2.336 20.861 -9.534 1.00 8.68 H new ATOM 0 HA SER A -7 4.738 20.100 -8.122 1.00 8.25 H new ATOM 0 HB2 SER A -7 1.788 19.880 -7.364 1.00 9.17 H new ATOM 0 HB3 SER A -7 3.144 19.728 -6.264 1.00 9.17 H new ATOM 0 HG SER A -7 2.227 21.859 -6.238 1.00 9.57 H new ATOM 41 N GLY A -6 3.500 17.871 -9.782 1.00 7.61 N ATOM 42 CA GLY A -6 3.520 16.454 -10.091 1.00 7.37 C ATOM 43 C GLY A -6 4.932 15.916 -10.181 1.00 6.38 C ATOM 44 O GLY A -6 5.166 14.853 -10.753 1.00 6.33 O ATOM 0 H GLY A -6 3.347 18.480 -10.586 1.00 7.61 H new ATOM 0 HA2 GLY A -6 2.971 15.907 -9.324 1.00 7.37 H new ATOM 0 HA3 GLY A -6 3.005 16.281 -11.036 1.00 7.37 H new ATOM 48 N HIS A -5 5.871 16.672 -9.630 1.00 5.88 N ATOM 49 CA HIS A -5 7.266 16.269 -9.570 1.00 5.12 C ATOM 50 C HIS A -5 7.428 15.126 -8.575 1.00 4.42 C ATOM 51 O HIS A -5 7.259 15.311 -7.372 1.00 4.55 O ATOM 52 CB HIS A -5 8.127 17.475 -9.159 1.00 5.41 C ATOM 53 CG HIS A -5 9.565 17.150 -8.874 1.00 5.17 C ATOM 54 ND1 HIS A -5 10.559 17.237 -9.821 1.00 5.51 N ATOM 55 CD2 HIS A -5 10.172 16.753 -7.734 1.00 5.06 C ATOM 56 CE1 HIS A -5 11.713 16.904 -9.276 1.00 5.66 C ATOM 57 NE2 HIS A -5 11.508 16.606 -8.009 1.00 5.36 N ATOM 0 H HIS A -5 5.685 17.583 -9.212 1.00 5.88 H new ATOM 0 HA HIS A -5 7.593 15.922 -10.550 1.00 5.12 H new ATOM 0 HB2 HIS A -5 8.087 18.220 -9.953 1.00 5.41 H new ATOM 0 HB3 HIS A -5 7.689 17.932 -8.272 1.00 5.41 H new ATOM 0 HD2 HIS A -5 9.693 16.583 -6.781 1.00 5.06 H new ATOM 0 HE1 HIS A -5 12.666 16.880 -9.783 1.00 5.66 H new ATOM 0 HE2 HIS A -5 12.224 16.314 -7.343 1.00 5.36 H new ATOM 66 N ILE A -4 7.747 13.946 -9.079 1.00 4.01 N ATOM 67 CA ILE A -4 7.865 12.780 -8.224 1.00 3.41 C ATOM 68 C ILE A -4 9.193 12.792 -7.459 1.00 2.79 C ATOM 69 O ILE A -4 10.265 12.566 -8.021 1.00 3.10 O ATOM 70 CB ILE A -4 7.682 11.459 -9.020 1.00 3.87 C ATOM 71 CG1 ILE A -4 7.704 10.266 -8.071 1.00 3.82 C ATOM 72 CG2 ILE A -4 8.736 11.299 -10.110 1.00 4.31 C ATOM 73 CD1 ILE A -4 6.609 10.319 -7.033 1.00 4.25 C ATOM 0 H ILE A -4 7.927 13.772 -10.068 1.00 4.01 H new ATOM 0 HA ILE A -4 7.057 12.827 -7.494 1.00 3.41 H new ATOM 0 HB ILE A -4 6.712 11.502 -9.515 1.00 3.87 H new ATOM 0 HG12 ILE A -4 7.605 9.347 -8.649 1.00 3.82 H new ATOM 0 HG13 ILE A -4 8.671 10.225 -7.570 1.00 3.82 H new ATOM 0 HG21 ILE A -4 8.570 10.362 -10.642 1.00 4.31 H new ATOM 0 HG22 ILE A -4 8.664 12.131 -10.810 1.00 4.31 H new ATOM 0 HG23 ILE A -4 9.728 11.289 -9.658 1.00 4.31 H new ATOM 0 HD11 ILE A -4 6.677 9.443 -6.388 1.00 4.25 H new ATOM 0 HD12 ILE A -4 6.720 11.222 -6.433 1.00 4.25 H new ATOM 0 HD13 ILE A -4 5.638 10.330 -7.528 1.00 4.25 H new ATOM 85 N GLU A -3 9.115 13.111 -6.175 1.00 2.65 N ATOM 86 CA GLU A -3 10.293 13.162 -5.327 1.00 2.74 C ATOM 87 C GLU A -3 10.281 12.047 -4.290 1.00 2.04 C ATOM 88 O GLU A -3 11.091 12.030 -3.362 1.00 2.60 O ATOM 89 CB GLU A -3 10.358 14.515 -4.638 1.00 3.81 C ATOM 90 CG GLU A -3 9.133 14.836 -3.796 1.00 4.47 C ATOM 91 CD GLU A -3 9.274 16.141 -3.043 1.00 5.44 C ATOM 92 OE1 GLU A -3 9.224 17.215 -3.681 1.00 6.04 O ATOM 93 OE2 GLU A -3 9.430 16.104 -1.805 1.00 5.87 O ATOM 0 H GLU A -3 8.243 13.339 -5.698 1.00 2.65 H new ATOM 0 HA GLU A -3 11.175 13.022 -5.952 1.00 2.74 H new ATOM 0 HB2 GLU A -3 11.243 14.546 -4.002 1.00 3.81 H new ATOM 0 HB3 GLU A -3 10.481 15.291 -5.393 1.00 3.81 H new ATOM 0 HG2 GLU A -3 8.256 14.885 -4.441 1.00 4.47 H new ATOM 0 HG3 GLU A -3 8.962 14.027 -3.086 1.00 4.47 H new ATOM 100 N GLY A -2 9.372 11.114 -4.470 1.00 1.45 N ATOM 101 CA GLY A -2 9.238 10.010 -3.539 1.00 1.14 C ATOM 102 C GLY A -2 7.801 9.569 -3.374 1.00 1.05 C ATOM 103 O GLY A -2 7.042 10.175 -2.624 1.00 1.37 O ATOM 0 H GLY A -2 8.715 11.096 -5.250 1.00 1.45 H new ATOM 0 HA2 GLY A -2 9.836 9.168 -3.889 1.00 1.14 H new ATOM 0 HA3 GLY A -2 9.639 10.305 -2.569 1.00 1.14 H new ATOM 107 N ARG A -1 7.424 8.519 -4.081 1.00 0.82 N ATOM 108 CA ARG A -1 6.070 7.988 -3.990 1.00 0.69 C ATOM 109 C ARG A -1 6.067 6.689 -3.210 1.00 0.61 C ATOM 110 O ARG A -1 7.118 6.102 -2.955 1.00 0.73 O ATOM 111 CB ARG A -1 5.477 7.717 -5.373 1.00 0.76 C ATOM 112 CG ARG A -1 6.007 6.448 -6.020 1.00 0.86 C ATOM 113 CD ARG A -1 5.271 6.122 -7.305 1.00 1.44 C ATOM 114 NE ARG A -1 5.714 4.852 -7.874 1.00 1.94 N ATOM 115 CZ ARG A -1 5.188 4.303 -8.965 1.00 2.72 C ATOM 116 NH1 ARG A -1 4.179 4.894 -9.594 1.00 3.04 N ATOM 117 NH2 ARG A -1 5.661 3.153 -9.422 1.00 3.51 N ATOM 0 H ARG A -1 8.034 8.015 -4.725 1.00 0.82 H new ATOM 0 HA ARG A -1 5.465 8.740 -3.483 1.00 0.69 H new ATOM 0 HB2 ARG A -1 4.393 7.647 -5.288 1.00 0.76 H new ATOM 0 HB3 ARG A -1 5.691 8.564 -6.024 1.00 0.76 H new ATOM 0 HG2 ARG A -1 7.070 6.563 -6.229 1.00 0.86 H new ATOM 0 HG3 ARG A -1 5.908 5.616 -5.323 1.00 0.86 H new ATOM 0 HD2 ARG A -1 4.199 6.079 -7.110 1.00 1.44 H new ATOM 0 HD3 ARG A -1 5.431 6.921 -8.029 1.00 1.44 H new ATOM 0 HE ARG A -1 6.473 4.356 -7.406 1.00 1.94 H new ATOM 0 HH11 ARG A -1 3.803 5.774 -9.241 1.00 3.04 H new ATOM 0 HH12 ARG A -1 3.780 4.468 -10.430 1.00 3.04 H new ATOM 0 HH21 ARG A -1 6.429 2.689 -8.937 1.00 3.51 H new ATOM 0 HH22 ARG A -1 5.257 2.732 -10.259 1.00 3.51 H new ATOM 131 N HIS A 0 4.887 6.242 -2.832 1.00 0.50 N ATOM 132 CA HIS A 0 4.742 4.917 -2.273 1.00 0.53 C ATOM 133 C HIS A 0 3.576 4.196 -2.929 1.00 0.44 C ATOM 134 O HIS A 0 2.430 4.636 -2.859 1.00 0.41 O ATOM 135 CB HIS A 0 4.584 4.948 -0.742 1.00 0.61 C ATOM 136 CG HIS A 0 3.517 5.871 -0.239 1.00 0.57 C ATOM 137 ND1 HIS A 0 3.778 6.938 0.580 1.00 0.79 N ATOM 138 CD2 HIS A 0 2.186 5.881 -0.448 1.00 0.51 C ATOM 139 CE1 HIS A 0 2.652 7.569 0.846 1.00 0.85 C ATOM 140 NE2 HIS A 0 1.672 6.947 0.230 1.00 0.66 N ATOM 0 H HIS A 0 4.020 6.775 -2.902 1.00 0.50 H new ATOM 0 HA HIS A 0 5.659 4.366 -2.483 1.00 0.53 H new ATOM 0 HB2 HIS A 0 4.366 3.939 -0.393 1.00 0.61 H new ATOM 0 HB3 HIS A 0 5.536 5.240 -0.298 1.00 0.61 H new ATOM 0 HD1 HIS A 0 4.699 7.202 0.929 1.00 0.79 H new ATOM 0 HD2 HIS A 0 1.628 5.174 -1.044 1.00 0.51 H new ATOM 0 HE1 HIS A 0 2.552 8.448 1.465 1.00 0.85 H new ATOM 0 HE2 HIS A 0 0.689 7.217 0.255 1.00 0.66 H new ATOM 149 N MET A 1 3.883 3.130 -3.626 1.00 0.50 N ATOM 150 CA MET A 1 2.857 2.222 -4.089 1.00 0.47 C ATOM 151 C MET A 1 2.918 0.973 -3.234 1.00 0.43 C ATOM 152 O MET A 1 3.778 0.116 -3.432 1.00 0.51 O ATOM 153 CB MET A 1 3.034 1.877 -5.573 1.00 0.56 C ATOM 154 CG MET A 1 2.019 0.865 -6.091 1.00 0.56 C ATOM 155 SD MET A 1 2.352 0.330 -7.784 1.00 0.67 S ATOM 156 CE MET A 1 2.212 1.881 -8.668 1.00 1.75 C ATOM 0 H MET A 1 4.834 2.868 -3.886 1.00 0.50 H new ATOM 0 HA MET A 1 1.881 2.698 -3.995 1.00 0.47 H new ATOM 0 HB2 MET A 1 2.955 2.791 -6.161 1.00 0.56 H new ATOM 0 HB3 MET A 1 4.038 1.483 -5.728 1.00 0.56 H new ATOM 0 HG2 MET A 1 2.016 -0.006 -5.435 1.00 0.56 H new ATOM 0 HG3 MET A 1 1.022 1.303 -6.044 1.00 0.56 H new ATOM 0 HE1 MET A 1 2.375 1.709 -9.732 1.00 1.75 H new ATOM 0 HE2 MET A 1 1.217 2.298 -8.516 1.00 1.75 H new ATOM 0 HE3 MET A 1 2.960 2.581 -8.295 1.00 1.75 H new ATOM 166 N LEU A 2 2.027 0.877 -2.261 1.00 0.34 N ATOM 167 CA LEU A 2 2.083 -0.223 -1.325 1.00 0.32 C ATOM 168 C LEU A 2 1.077 -1.269 -1.724 1.00 0.30 C ATOM 169 O LEU A 2 -0.127 -1.013 -1.783 1.00 0.33 O ATOM 170 CB LEU A 2 1.836 0.229 0.124 1.00 0.33 C ATOM 171 CG LEU A 2 2.175 -0.821 1.198 1.00 0.38 C ATOM 172 CD1 LEU A 2 1.007 -1.759 1.452 1.00 0.36 C ATOM 173 CD2 LEU A 2 3.404 -1.626 0.799 1.00 0.50 C ATOM 0 H LEU A 2 1.268 1.540 -2.103 1.00 0.34 H new ATOM 0 HA LEU A 2 3.089 -0.640 -1.359 1.00 0.32 H new ATOM 0 HB2 LEU A 2 2.425 1.126 0.315 1.00 0.33 H new ATOM 0 HB3 LEU A 2 0.788 0.508 0.228 1.00 0.33 H new ATOM 0 HG LEU A 2 2.386 -0.281 2.121 1.00 0.38 H new ATOM 0 HD11 LEU A 2 1.284 -2.486 2.216 1.00 0.36 H new ATOM 0 HD12 LEU A 2 0.146 -1.184 1.793 1.00 0.36 H new ATOM 0 HD13 LEU A 2 0.752 -2.281 0.530 1.00 0.36 H new ATOM 0 HD21 LEU A 2 3.624 -2.361 1.573 1.00 0.50 H new ATOM 0 HD22 LEU A 2 3.213 -2.138 -0.144 1.00 0.50 H new ATOM 0 HD23 LEU A 2 4.256 -0.956 0.682 1.00 0.50 H new ATOM 185 N VAL A 3 1.593 -2.443 -2.008 1.00 0.42 N ATOM 186 CA VAL A 3 0.787 -3.547 -2.417 1.00 0.40 C ATOM 187 C VAL A 3 0.149 -4.237 -1.217 1.00 0.40 C ATOM 188 O VAL A 3 0.821 -4.583 -0.245 1.00 0.52 O ATOM 189 CB VAL A 3 1.621 -4.548 -3.233 1.00 0.54 C ATOM 190 CG1 VAL A 3 1.731 -4.100 -4.682 1.00 1.03 C ATOM 191 CG2 VAL A 3 3.007 -4.712 -2.630 1.00 1.53 C ATOM 0 H VAL A 3 2.591 -2.650 -1.958 1.00 0.42 H new ATOM 0 HA VAL A 3 -0.014 -3.163 -3.049 1.00 0.40 H new ATOM 0 HB VAL A 3 1.113 -5.512 -3.204 1.00 0.54 H new ATOM 0 HG11 VAL A 3 2.325 -4.822 -5.242 1.00 1.03 H new ATOM 0 HG12 VAL A 3 0.735 -4.033 -5.119 1.00 1.03 H new ATOM 0 HG13 VAL A 3 2.212 -3.123 -4.725 1.00 1.03 H new ATOM 0 HG21 VAL A 3 3.580 -5.425 -3.223 1.00 1.53 H new ATOM 0 HG22 VAL A 3 3.518 -3.749 -2.626 1.00 1.53 H new ATOM 0 HG23 VAL A 3 2.918 -5.080 -1.608 1.00 1.53 H new ATOM 201 N LEU A 4 -1.149 -4.437 -1.313 1.00 0.34 N ATOM 202 CA LEU A 4 -1.912 -5.103 -0.286 1.00 0.41 C ATOM 203 C LEU A 4 -2.301 -6.464 -0.823 1.00 0.36 C ATOM 204 O LEU A 4 -2.762 -6.572 -1.964 1.00 0.32 O ATOM 205 CB LEU A 4 -3.167 -4.309 0.051 1.00 0.49 C ATOM 206 CG LEU A 4 -3.679 -4.452 1.493 1.00 0.96 C ATOM 207 CD1 LEU A 4 -4.541 -5.699 1.645 1.00 1.85 C ATOM 208 CD2 LEU A 4 -2.522 -4.489 2.485 1.00 1.66 C ATOM 0 H LEU A 4 -1.706 -4.138 -2.114 1.00 0.34 H new ATOM 0 HA LEU A 4 -1.318 -5.194 0.623 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -2.970 -3.254 -0.142 1.00 0.49 H new ATOM 0 HB3 LEU A 4 -3.962 -4.615 -0.629 1.00 0.49 H new ATOM 0 HG LEU A 4 -4.293 -3.578 1.712 1.00 0.96 H new ATOM 0 HD11 LEU A 4 -4.890 -5.777 2.675 1.00 1.85 H new ATOM 0 HD12 LEU A 4 -5.398 -5.633 0.975 1.00 1.85 H new ATOM 0 HD13 LEU A 4 -3.952 -6.581 1.394 1.00 1.85 H new ATOM 0 HD21 LEU A 4 -2.914 -4.591 3.497 1.00 1.66 H new ATOM 0 HD22 LEU A 4 -1.876 -5.337 2.259 1.00 1.66 H new ATOM 0 HD23 LEU A 4 -1.948 -3.565 2.409 1.00 1.66 H new ATOM 220 N SER A 5 -2.135 -7.498 -0.036 1.00 0.42 N ATOM 221 CA SER A 5 -2.297 -8.832 -0.556 1.00 0.43 C ATOM 222 C SER A 5 -3.748 -9.269 -0.472 1.00 0.43 C ATOM 223 O SER A 5 -4.254 -9.597 0.598 1.00 0.55 O ATOM 224 CB SER A 5 -1.389 -9.804 0.194 1.00 0.55 C ATOM 225 OG SER A 5 -0.042 -9.357 0.181 1.00 1.19 O ATOM 0 H SER A 5 -1.891 -7.444 0.953 1.00 0.42 H new ATOM 0 HA SER A 5 -2.009 -8.834 -1.607 1.00 0.43 H new ATOM 0 HB2 SER A 5 -1.732 -9.906 1.224 1.00 0.55 H new ATOM 0 HB3 SER A 5 -1.452 -10.792 -0.262 1.00 0.55 H new ATOM 0 HG SER A 5 0.519 -9.995 0.669 1.00 1.19 H new ATOM 231 N ARG A 6 -4.407 -9.295 -1.621 1.00 0.37 N ATOM 232 CA ARG A 6 -5.823 -9.593 -1.674 1.00 0.42 C ATOM 233 C ARG A 6 -6.104 -10.395 -2.929 1.00 0.38 C ATOM 234 O ARG A 6 -5.980 -9.890 -4.044 1.00 0.37 O ATOM 235 CB ARG A 6 -6.635 -8.286 -1.662 1.00 0.50 C ATOM 236 CG ARG A 6 -8.141 -8.476 -1.776 1.00 0.96 C ATOM 237 CD ARG A 6 -8.728 -9.185 -0.562 1.00 1.31 C ATOM 238 NE ARG A 6 -8.648 -8.378 0.656 1.00 1.92 N ATOM 239 CZ ARG A 6 -9.698 -7.769 1.214 1.00 2.57 C ATOM 240 NH1 ARG A 6 -10.879 -7.788 0.615 1.00 2.77 N ATOM 241 NH2 ARG A 6 -9.560 -7.127 2.366 1.00 3.50 N ATOM 0 H ARG A 6 -3.979 -9.112 -2.529 1.00 0.37 H new ATOM 0 HA ARG A 6 -6.117 -10.178 -0.803 1.00 0.42 H new ATOM 0 HB2 ARG A 6 -6.419 -7.747 -0.739 1.00 0.50 H new ATOM 0 HB3 ARG A 6 -6.298 -7.656 -2.485 1.00 0.50 H new ATOM 0 HG2 ARG A 6 -8.620 -7.504 -1.893 1.00 0.96 H new ATOM 0 HG3 ARG A 6 -8.365 -9.052 -2.674 1.00 0.96 H new ATOM 0 HD2 ARG A 6 -9.771 -9.434 -0.760 1.00 1.31 H new ATOM 0 HD3 ARG A 6 -8.200 -10.126 -0.405 1.00 1.31 H new ATOM 0 HE ARG A 6 -7.738 -8.274 1.105 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -10.991 -8.269 -0.277 1.00 2.77 H new ATOM 0 HH12 ARG A 6 -11.677 -7.321 1.046 1.00 2.77 H new ATOM 0 HH21 ARG A 6 -8.651 -7.097 2.828 1.00 3.50 H new ATOM 0 HH22 ARG A 6 -10.363 -6.663 2.790 1.00 3.50 H new ATOM 255 N LYS A 7 -6.538 -11.624 -2.738 1.00 0.40 N ATOM 256 CA LYS A 7 -6.630 -12.581 -3.824 1.00 0.42 C ATOM 257 C LYS A 7 -8.013 -12.553 -4.451 1.00 0.45 C ATOM 258 O LYS A 7 -8.602 -13.586 -4.761 1.00 0.61 O ATOM 259 CB LYS A 7 -6.274 -13.987 -3.322 1.00 0.47 C ATOM 260 CG LYS A 7 -4.771 -14.247 -3.225 1.00 0.64 C ATOM 261 CD LYS A 7 -4.241 -14.202 -1.799 1.00 0.77 C ATOM 262 CE LYS A 7 -4.092 -12.782 -1.287 1.00 0.66 C ATOM 263 NZ LYS A 7 -3.592 -12.753 0.116 1.00 0.85 N ATOM 0 H LYS A 7 -6.835 -11.987 -1.832 1.00 0.40 H new ATOM 0 HA LYS A 7 -5.913 -12.304 -4.597 1.00 0.42 H new ATOM 0 HB2 LYS A 7 -6.723 -14.136 -2.340 1.00 0.47 H new ATOM 0 HB3 LYS A 7 -6.718 -14.724 -3.991 1.00 0.47 H new ATOM 0 HG2 LYS A 7 -4.550 -15.223 -3.656 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -4.242 -13.506 -3.825 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -4.916 -14.753 -1.145 1.00 0.77 H new ATOM 0 HD3 LYS A 7 -3.275 -14.705 -1.756 1.00 0.77 H new ATOM 0 HE2 LYS A 7 -3.404 -12.233 -1.930 1.00 0.66 H new ATOM 0 HE3 LYS A 7 -5.054 -12.272 -1.341 1.00 0.66 H new ATOM 0 HZ1 LYS A 7 -3.663 -11.785 0.490 1.00 0.85 H new ATOM 0 HZ2 LYS A 7 -4.165 -13.393 0.702 1.00 0.85 H new ATOM 0 HZ3 LYS A 7 -2.599 -13.061 0.137 1.00 0.85 H new ATOM 277 N ILE A 8 -8.511 -11.343 -4.650 1.00 0.47 N ATOM 278 CA ILE A 8 -9.834 -11.134 -5.221 1.00 0.53 C ATOM 279 C ILE A 8 -9.725 -10.297 -6.493 1.00 0.54 C ATOM 280 O ILE A 8 -10.587 -10.361 -7.373 1.00 0.66 O ATOM 281 CB ILE A 8 -10.757 -10.411 -4.215 1.00 0.62 C ATOM 282 CG1 ILE A 8 -10.667 -11.075 -2.834 1.00 0.66 C ATOM 283 CG2 ILE A 8 -12.197 -10.405 -4.711 1.00 0.72 C ATOM 284 CD1 ILE A 8 -11.256 -12.467 -2.777 1.00 1.17 C ATOM 0 H ILE A 8 -8.014 -10.482 -4.422 1.00 0.47 H new ATOM 0 HA ILE A 8 -10.261 -12.109 -5.456 1.00 0.53 H new ATOM 0 HB ILE A 8 -10.423 -9.377 -4.126 1.00 0.62 H new ATOM 0 HG12 ILE A 8 -9.620 -11.123 -2.533 1.00 0.66 H new ATOM 0 HG13 ILE A 8 -11.179 -10.446 -2.106 1.00 0.66 H new ATOM 0 HG21 ILE A 8 -12.829 -9.891 -3.987 1.00 0.72 H new ATOM 0 HG22 ILE A 8 -12.249 -9.889 -5.670 1.00 0.72 H new ATOM 0 HG23 ILE A 8 -12.544 -11.431 -4.832 1.00 0.72 H new ATOM 0 HD11 ILE A 8 -11.152 -12.865 -1.768 1.00 1.17 H new ATOM 0 HD12 ILE A 8 -12.312 -12.426 -3.044 1.00 1.17 H new ATOM 0 HD13 ILE A 8 -10.729 -13.114 -3.478 1.00 1.17 H new ATOM 296 N ASN A 9 -8.638 -9.523 -6.575 1.00 0.50 N ATOM 297 CA ASN A 9 -8.407 -8.573 -7.673 1.00 0.51 C ATOM 298 C ASN A 9 -9.455 -7.475 -7.656 1.00 0.56 C ATOM 299 O ASN A 9 -9.658 -6.777 -8.651 1.00 0.74 O ATOM 300 CB ASN A 9 -8.406 -9.257 -9.043 1.00 0.60 C ATOM 301 CG ASN A 9 -7.392 -10.383 -9.141 1.00 1.27 C ATOM 302 OD1 ASN A 9 -6.229 -10.154 -9.462 1.00 2.27 O ATOM 303 ND2 ASN A 9 -7.825 -11.607 -8.879 1.00 1.56 N ATOM 0 H ASN A 9 -7.891 -9.536 -5.881 1.00 0.50 H new ATOM 0 HA ASN A 9 -7.419 -8.142 -7.514 1.00 0.51 H new ATOM 0 HB2 ASN A 9 -9.401 -9.652 -9.247 1.00 0.60 H new ATOM 0 HB3 ASN A 9 -8.194 -8.516 -9.813 1.00 0.60 H new ATOM 0 HD21 ASN A 9 -7.185 -12.399 -8.941 1.00 1.56 H new ATOM 0 HD22 ASN A 9 -8.799 -11.758 -8.615 1.00 1.56 H new ATOM 310 N GLU A 10 -10.108 -7.326 -6.513 1.00 0.74 N ATOM 311 CA GLU A 10 -11.099 -6.282 -6.319 1.00 0.81 C ATOM 312 C GLU A 10 -10.420 -4.919 -6.301 1.00 0.77 C ATOM 313 O GLU A 10 -9.194 -4.828 -6.352 1.00 1.04 O ATOM 314 CB GLU A 10 -11.857 -6.514 -5.008 1.00 0.87 C ATOM 315 CG GLU A 10 -10.948 -6.623 -3.791 1.00 0.82 C ATOM 316 CD GLU A 10 -11.714 -6.836 -2.502 1.00 0.95 C ATOM 317 OE1 GLU A 10 -12.089 -5.836 -1.858 1.00 1.12 O ATOM 318 OE2 GLU A 10 -11.946 -8.001 -2.131 1.00 1.11 O ATOM 0 H GLU A 10 -9.966 -7.923 -5.698 1.00 0.74 H new ATOM 0 HA GLU A 10 -11.811 -6.310 -7.144 1.00 0.81 H new ATOM 0 HB2 GLU A 10 -12.560 -5.695 -4.854 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -12.446 -7.427 -5.095 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -10.253 -7.450 -3.936 1.00 0.82 H new ATOM 0 HG3 GLU A 10 -10.351 -5.715 -3.707 1.00 0.82 H new ATOM 325 N ALA A 11 -11.209 -3.871 -6.208 1.00 0.53 N ATOM 326 CA ALA A 11 -10.667 -2.529 -6.180 1.00 0.46 C ATOM 327 C ALA A 11 -10.838 -1.947 -4.794 1.00 0.38 C ATOM 328 O ALA A 11 -11.791 -2.278 -4.086 1.00 0.41 O ATOM 329 CB ALA A 11 -11.361 -1.657 -7.212 1.00 0.56 C ATOM 0 H ALA A 11 -12.226 -3.921 -6.151 1.00 0.53 H new ATOM 0 HA ALA A 11 -9.605 -2.565 -6.424 1.00 0.46 H new ATOM 0 HB1 ALA A 11 -10.943 -0.651 -7.179 1.00 0.56 H new ATOM 0 HB2 ALA A 11 -11.211 -2.080 -8.205 1.00 0.56 H new ATOM 0 HB3 ALA A 11 -12.428 -1.614 -6.993 1.00 0.56 H new ATOM 335 N ILE A 12 -9.925 -1.088 -4.399 1.00 0.34 N ATOM 336 CA ILE A 12 -9.994 -0.501 -3.080 1.00 0.32 C ATOM 337 C ILE A 12 -10.441 0.945 -3.183 1.00 0.28 C ATOM 338 O ILE A 12 -9.711 1.800 -3.680 1.00 0.33 O ATOM 339 CB ILE A 12 -8.636 -0.573 -2.348 1.00 0.39 C ATOM 340 CG1 ILE A 12 -8.065 -1.991 -2.398 1.00 0.42 C ATOM 341 CG2 ILE A 12 -8.784 -0.121 -0.904 1.00 0.46 C ATOM 342 CD1 ILE A 12 -8.926 -3.030 -1.707 1.00 0.98 C ATOM 0 H ILE A 12 -9.134 -0.783 -4.966 1.00 0.34 H new ATOM 0 HA ILE A 12 -10.718 -1.074 -2.500 1.00 0.32 H new ATOM 0 HB ILE A 12 -7.943 0.097 -2.857 1.00 0.39 H new ATOM 0 HG12 ILE A 12 -7.931 -2.281 -3.440 1.00 0.42 H new ATOM 0 HG13 ILE A 12 -7.077 -1.990 -1.938 1.00 0.42 H new ATOM 0 HG21 ILE A 12 -7.817 -0.178 -0.404 1.00 0.46 H new ATOM 0 HG22 ILE A 12 -9.145 0.907 -0.880 1.00 0.46 H new ATOM 0 HG23 ILE A 12 -9.496 -0.767 -0.392 1.00 0.46 H new ATOM 0 HD11 ILE A 12 -8.451 -4.008 -1.788 1.00 0.98 H new ATOM 0 HD12 ILE A 12 -9.040 -2.767 -0.655 1.00 0.98 H new ATOM 0 HD13 ILE A 12 -9.907 -3.063 -2.181 1.00 0.98 H new ATOM 354 N GLN A 13 -11.660 1.191 -2.739 1.00 0.25 N ATOM 355 CA GLN A 13 -12.217 2.528 -2.701 1.00 0.26 C ATOM 356 C GLN A 13 -12.505 2.890 -1.254 1.00 0.25 C ATOM 357 O GLN A 13 -13.514 2.466 -0.686 1.00 0.30 O ATOM 358 CB GLN A 13 -13.504 2.586 -3.534 1.00 0.33 C ATOM 359 CG GLN A 13 -14.217 3.927 -3.493 1.00 0.40 C ATOM 360 CD GLN A 13 -13.431 5.038 -4.153 1.00 0.81 C ATOM 361 OE1 GLN A 13 -13.558 5.273 -5.353 1.00 1.62 O ATOM 362 NE2 GLN A 13 -12.624 5.737 -3.371 1.00 0.91 N ATOM 0 H GLN A 13 -12.291 0.468 -2.395 1.00 0.25 H new ATOM 0 HA GLN A 13 -11.508 3.240 -3.123 1.00 0.26 H new ATOM 0 HB2 GLN A 13 -13.263 2.348 -4.570 1.00 0.33 H new ATOM 0 HB3 GLN A 13 -14.187 1.814 -3.180 1.00 0.33 H new ATOM 0 HG2 GLN A 13 -15.185 3.832 -3.986 1.00 0.40 H new ATOM 0 HG3 GLN A 13 -14.413 4.196 -2.455 1.00 0.40 H new ATOM 0 HE21 GLN A 13 -12.549 5.508 -2.380 1.00 0.91 H new ATOM 0 HE22 GLN A 13 -12.077 6.505 -3.759 1.00 0.91 H new ATOM 371 N ILE A 14 -11.603 3.635 -0.647 1.00 0.25 N ATOM 372 CA ILE A 14 -11.731 3.956 0.763 1.00 0.26 C ATOM 373 C ILE A 14 -11.881 5.451 1.005 1.00 0.29 C ATOM 374 O ILE A 14 -11.026 6.251 0.609 1.00 0.30 O ATOM 375 CB ILE A 14 -10.567 3.398 1.621 1.00 0.26 C ATOM 376 CG1 ILE A 14 -9.192 3.896 1.139 1.00 0.28 C ATOM 377 CG2 ILE A 14 -10.613 1.878 1.641 1.00 0.29 C ATOM 378 CD1 ILE A 14 -8.613 3.141 -0.038 1.00 0.31 C ATOM 0 H ILE A 14 -10.779 4.028 -1.102 1.00 0.25 H new ATOM 0 HA ILE A 14 -12.647 3.460 1.083 1.00 0.26 H new ATOM 0 HB ILE A 14 -10.700 3.774 2.636 1.00 0.26 H new ATOM 0 HG12 ILE A 14 -9.278 4.949 0.869 1.00 0.28 H new ATOM 0 HG13 ILE A 14 -8.489 3.837 1.970 1.00 0.28 H new ATOM 0 HG21 ILE A 14 -9.791 1.497 2.247 1.00 0.29 H new ATOM 0 HG22 ILE A 14 -11.561 1.548 2.067 1.00 0.29 H new ATOM 0 HG23 ILE A 14 -10.521 1.498 0.624 1.00 0.29 H new ATOM 0 HD11 ILE A 14 -7.645 3.566 -0.302 1.00 0.31 H new ATOM 0 HD12 ILE A 14 -8.488 2.092 0.229 1.00 0.31 H new ATOM 0 HD13 ILE A 14 -9.289 3.221 -0.889 1.00 0.31 H new ATOM 390 N GLY A 15 -13.009 5.809 1.615 1.00 0.33 N ATOM 391 CA GLY A 15 -13.216 7.151 2.138 1.00 0.39 C ATOM 392 C GLY A 15 -13.080 8.256 1.105 1.00 0.59 C ATOM 393 O GLY A 15 -12.861 9.415 1.465 1.00 1.36 O ATOM 0 H GLY A 15 -13.798 5.179 1.758 1.00 0.33 H new ATOM 0 HA2 GLY A 15 -14.210 7.205 2.581 1.00 0.39 H new ATOM 0 HA3 GLY A 15 -12.499 7.330 2.940 1.00 0.39 H new ATOM 397 N ALA A 16 -13.211 7.897 -0.166 1.00 0.46 N ATOM 398 CA ALA A 16 -13.126 8.846 -1.272 1.00 0.51 C ATOM 399 C ALA A 16 -11.756 9.531 -1.364 1.00 0.49 C ATOM 400 O ALA A 16 -11.632 10.596 -1.972 1.00 0.71 O ATOM 401 CB ALA A 16 -14.237 9.881 -1.168 1.00 0.71 C ATOM 0 H ALA A 16 -13.380 6.935 -0.461 1.00 0.46 H new ATOM 0 HA ALA A 16 -13.252 8.274 -2.191 1.00 0.51 H new ATOM 0 HB1 ALA A 16 -14.161 10.582 -1.999 1.00 0.71 H new ATOM 0 HB2 ALA A 16 -15.205 9.381 -1.203 1.00 0.71 H new ATOM 0 HB3 ALA A 16 -14.142 10.423 -0.227 1.00 0.71 H new ATOM 407 N ASP A 17 -10.728 8.929 -0.774 1.00 0.45 N ATOM 408 CA ASP A 17 -9.365 9.451 -0.920 1.00 0.47 C ATOM 409 C ASP A 17 -8.577 8.600 -1.902 1.00 0.40 C ATOM 410 O ASP A 17 -7.902 9.116 -2.792 1.00 0.45 O ATOM 411 CB ASP A 17 -8.619 9.503 0.420 1.00 0.53 C ATOM 412 CG ASP A 17 -7.203 10.049 0.277 1.00 1.10 C ATOM 413 OD1 ASP A 17 -7.053 11.208 -0.163 1.00 1.04 O ATOM 414 OD2 ASP A 17 -6.235 9.330 0.609 1.00 1.80 O ATOM 0 H ASP A 17 -10.805 8.091 -0.197 1.00 0.45 H new ATOM 0 HA ASP A 17 -9.452 10.470 -1.297 1.00 0.47 H new ATOM 0 HB2 ASP A 17 -9.177 10.126 1.119 1.00 0.53 H new ATOM 0 HB3 ASP A 17 -8.578 8.502 0.849 1.00 0.53 H new ATOM 419 N ILE A 18 -8.686 7.290 -1.750 1.00 0.35 N ATOM 420 CA ILE A 18 -7.919 6.367 -2.569 1.00 0.35 C ATOM 421 C ILE A 18 -8.831 5.377 -3.297 1.00 0.31 C ATOM 422 O ILE A 18 -9.678 4.726 -2.681 1.00 0.30 O ATOM 423 CB ILE A 18 -6.883 5.597 -1.712 1.00 0.41 C ATOM 424 CG1 ILE A 18 -5.811 6.550 -1.173 1.00 0.54 C ATOM 425 CG2 ILE A 18 -6.241 4.470 -2.513 1.00 0.41 C ATOM 426 CD1 ILE A 18 -5.008 7.245 -2.256 1.00 0.61 C ATOM 0 H ILE A 18 -9.298 6.843 -1.067 1.00 0.35 H new ATOM 0 HA ILE A 18 -7.389 6.959 -3.315 1.00 0.35 H new ATOM 0 HB ILE A 18 -7.409 5.155 -0.866 1.00 0.41 H new ATOM 0 HG12 ILE A 18 -6.290 7.304 -0.548 1.00 0.54 H new ATOM 0 HG13 ILE A 18 -5.130 5.990 -0.532 1.00 0.54 H new ATOM 0 HG21 ILE A 18 -5.518 3.946 -1.888 1.00 0.41 H new ATOM 0 HG22 ILE A 18 -7.011 3.772 -2.841 1.00 0.41 H new ATOM 0 HG23 ILE A 18 -5.734 4.886 -3.384 1.00 0.41 H new ATOM 0 HD11 ILE A 18 -4.270 7.902 -1.796 1.00 0.61 H new ATOM 0 HD12 ILE A 18 -4.499 6.499 -2.867 1.00 0.61 H new ATOM 0 HD13 ILE A 18 -5.677 7.834 -2.884 1.00 0.61 H new ATOM 438 N GLU A 19 -8.662 5.302 -4.613 1.00 0.34 N ATOM 439 CA GLU A 19 -9.337 4.305 -5.435 1.00 0.35 C ATOM 440 C GLU A 19 -8.354 3.746 -6.461 1.00 0.36 C ATOM 441 O GLU A 19 -7.800 4.502 -7.265 1.00 0.44 O ATOM 442 CB GLU A 19 -10.560 4.908 -6.141 1.00 0.47 C ATOM 443 CG GLU A 19 -10.252 6.123 -7.003 1.00 1.35 C ATOM 444 CD GLU A 19 -11.421 6.542 -7.871 1.00 1.71 C ATOM 445 OE1 GLU A 19 -11.766 5.806 -8.818 1.00 2.27 O ATOM 446 OE2 GLU A 19 -12.007 7.613 -7.606 1.00 2.07 O ATOM 0 H GLU A 19 -8.054 5.930 -5.139 1.00 0.34 H new ATOM 0 HA GLU A 19 -9.689 3.499 -4.791 1.00 0.35 H new ATOM 0 HB2 GLU A 19 -11.018 4.141 -6.766 1.00 0.47 H new ATOM 0 HB3 GLU A 19 -11.297 5.189 -5.389 1.00 0.47 H new ATOM 0 HG2 GLU A 19 -9.967 6.956 -6.360 1.00 1.35 H new ATOM 0 HG3 GLU A 19 -9.394 5.903 -7.639 1.00 1.35 H new ATOM 453 N VAL A 20 -8.108 2.436 -6.425 1.00 0.36 N ATOM 454 CA VAL A 20 -7.125 1.824 -7.315 1.00 0.43 C ATOM 455 C VAL A 20 -6.936 0.338 -7.012 1.00 0.39 C ATOM 456 O VAL A 20 -6.956 -0.081 -5.854 1.00 0.36 O ATOM 457 CB VAL A 20 -5.748 2.539 -7.204 1.00 0.52 C ATOM 458 CG1 VAL A 20 -5.209 2.486 -5.780 1.00 0.52 C ATOM 459 CG2 VAL A 20 -4.738 1.948 -8.176 1.00 0.67 C ATOM 0 H VAL A 20 -8.573 1.784 -5.794 1.00 0.36 H new ATOM 0 HA VAL A 20 -7.512 1.932 -8.328 1.00 0.43 H new ATOM 0 HB VAL A 20 -5.905 3.584 -7.470 1.00 0.52 H new ATOM 0 HG11 VAL A 20 -4.246 2.994 -5.736 1.00 0.52 H new ATOM 0 HG12 VAL A 20 -5.910 2.979 -5.107 1.00 0.52 H new ATOM 0 HG13 VAL A 20 -5.085 1.447 -5.476 1.00 0.52 H new ATOM 0 HG21 VAL A 20 -3.786 2.469 -8.074 1.00 0.67 H new ATOM 0 HG22 VAL A 20 -4.597 0.890 -7.956 1.00 0.67 H new ATOM 0 HG23 VAL A 20 -5.106 2.061 -9.196 1.00 0.67 H new ATOM 469 N LYS A 21 -6.816 -0.460 -8.068 1.00 0.44 N ATOM 470 CA LYS A 21 -6.283 -1.806 -7.951 1.00 0.44 C ATOM 471 C LYS A 21 -5.223 -2.043 -9.020 1.00 0.46 C ATOM 472 O LYS A 21 -5.526 -2.251 -10.189 1.00 0.57 O ATOM 473 CB LYS A 21 -7.390 -2.886 -7.970 1.00 0.55 C ATOM 474 CG LYS A 21 -8.518 -2.705 -8.988 1.00 1.51 C ATOM 475 CD LYS A 21 -8.140 -3.208 -10.371 1.00 2.23 C ATOM 476 CE LYS A 21 -9.314 -3.173 -11.337 1.00 3.01 C ATOM 477 NZ LYS A 21 -9.781 -1.790 -11.624 1.00 3.67 N ATOM 0 H LYS A 21 -7.083 -0.194 -9.016 1.00 0.44 H new ATOM 0 HA LYS A 21 -5.807 -1.896 -6.975 1.00 0.44 H new ATOM 0 HB2 LYS A 21 -6.919 -3.851 -8.154 1.00 0.55 H new ATOM 0 HB3 LYS A 21 -7.835 -2.933 -6.976 1.00 0.55 H new ATOM 0 HG2 LYS A 21 -9.404 -3.236 -8.641 1.00 1.51 H new ATOM 0 HG3 LYS A 21 -8.782 -1.649 -9.049 1.00 1.51 H new ATOM 0 HD2 LYS A 21 -7.328 -2.599 -10.767 1.00 2.23 H new ATOM 0 HD3 LYS A 21 -7.765 -4.229 -10.294 1.00 2.23 H new ATOM 0 HE2 LYS A 21 -9.025 -3.656 -12.271 1.00 3.01 H new ATOM 0 HE3 LYS A 21 -10.139 -3.752 -10.921 1.00 3.01 H new ATOM 0 HZ1 LYS A 21 -10.582 -1.824 -12.287 1.00 3.67 H new ATOM 0 HZ2 LYS A 21 -10.084 -1.335 -10.739 1.00 3.67 H new ATOM 0 HZ3 LYS A 21 -9.005 -1.242 -12.047 1.00 3.67 H new ATOM 491 N VAL A 22 -3.968 -1.947 -8.624 1.00 0.40 N ATOM 492 CA VAL A 22 -2.884 -2.333 -9.511 1.00 0.42 C ATOM 493 C VAL A 22 -2.390 -3.708 -9.105 1.00 0.38 C ATOM 494 O VAL A 22 -1.786 -3.890 -8.048 1.00 0.39 O ATOM 495 CB VAL A 22 -1.720 -1.307 -9.557 1.00 0.54 C ATOM 496 CG1 VAL A 22 -2.191 -0.002 -10.177 1.00 1.32 C ATOM 497 CG2 VAL A 22 -1.133 -1.048 -8.180 1.00 0.82 C ATOM 0 H VAL A 22 -3.675 -1.610 -7.707 1.00 0.40 H new ATOM 0 HA VAL A 22 -3.278 -2.357 -10.527 1.00 0.42 H new ATOM 0 HB VAL A 22 -0.932 -1.738 -10.175 1.00 0.54 H new ATOM 0 HG11 VAL A 22 -1.364 0.708 -10.203 1.00 1.32 H new ATOM 0 HG12 VAL A 22 -2.542 -0.187 -11.192 1.00 1.32 H new ATOM 0 HG13 VAL A 22 -3.005 0.411 -9.581 1.00 1.32 H new ATOM 0 HG21 VAL A 22 -0.322 -0.324 -8.260 1.00 0.82 H new ATOM 0 HG22 VAL A 22 -1.908 -0.653 -7.523 1.00 0.82 H new ATOM 0 HG23 VAL A 22 -0.748 -1.980 -7.768 1.00 0.82 H new ATOM 507 N ILE A 23 -2.689 -4.680 -9.936 1.00 0.39 N ATOM 508 CA ILE A 23 -2.461 -6.063 -9.593 1.00 0.38 C ATOM 509 C ILE A 23 -1.101 -6.529 -10.087 1.00 0.41 C ATOM 510 O ILE A 23 -0.742 -6.334 -11.248 1.00 0.50 O ATOM 511 CB ILE A 23 -3.576 -6.951 -10.174 1.00 0.45 C ATOM 512 CG1 ILE A 23 -4.939 -6.512 -9.611 1.00 0.51 C ATOM 513 CG2 ILE A 23 -3.313 -8.422 -9.873 1.00 0.48 C ATOM 514 CD1 ILE A 23 -5.149 -6.868 -8.154 1.00 1.39 C ATOM 0 H ILE A 23 -3.094 -4.535 -10.861 1.00 0.39 H new ATOM 0 HA ILE A 23 -2.475 -6.150 -8.507 1.00 0.38 H new ATOM 0 HB ILE A 23 -3.589 -6.833 -11.257 1.00 0.45 H new ATOM 0 HG12 ILE A 23 -5.038 -5.433 -9.728 1.00 0.51 H new ATOM 0 HG13 ILE A 23 -5.730 -6.971 -10.204 1.00 0.51 H new ATOM 0 HG21 ILE A 23 -4.115 -9.029 -10.294 1.00 0.48 H new ATOM 0 HG22 ILE A 23 -2.362 -8.720 -10.315 1.00 0.48 H new ATOM 0 HG23 ILE A 23 -3.273 -8.571 -8.794 1.00 0.48 H new ATOM 0 HD11 ILE A 23 -6.133 -6.525 -7.834 1.00 1.39 H new ATOM 0 HD12 ILE A 23 -5.084 -7.949 -8.031 1.00 1.39 H new ATOM 0 HD13 ILE A 23 -4.382 -6.387 -7.548 1.00 1.39 H new ATOM 526 N ALA A 24 -0.352 -7.131 -9.185 1.00 0.38 N ATOM 527 CA ALA A 24 0.967 -7.640 -9.496 1.00 0.45 C ATOM 528 C ALA A 24 1.062 -9.101 -9.094 1.00 0.41 C ATOM 529 O ALA A 24 0.303 -9.565 -8.238 1.00 0.39 O ATOM 530 CB ALA A 24 2.032 -6.817 -8.784 1.00 0.55 C ATOM 0 H ALA A 24 -0.640 -7.281 -8.218 1.00 0.38 H new ATOM 0 HA ALA A 24 1.136 -7.560 -10.570 1.00 0.45 H new ATOM 0 HB1 ALA A 24 3.019 -7.211 -9.027 1.00 0.55 H new ATOM 0 HB2 ALA A 24 1.966 -5.778 -9.108 1.00 0.55 H new ATOM 0 HB3 ALA A 24 1.874 -6.872 -7.707 1.00 0.55 H new ATOM 536 N VAL A 25 1.987 -9.825 -9.701 1.00 0.56 N ATOM 537 CA VAL A 25 2.152 -11.233 -9.391 1.00 0.60 C ATOM 538 C VAL A 25 3.159 -11.422 -8.259 1.00 0.56 C ATOM 539 O VAL A 25 4.357 -11.157 -8.399 1.00 0.78 O ATOM 540 CB VAL A 25 2.549 -12.062 -10.640 1.00 0.91 C ATOM 541 CG1 VAL A 25 3.810 -11.518 -11.301 1.00 1.48 C ATOM 542 CG2 VAL A 25 2.711 -13.533 -10.279 1.00 1.67 C ATOM 0 H VAL A 25 2.630 -9.464 -10.406 1.00 0.56 H new ATOM 0 HA VAL A 25 1.185 -11.609 -9.056 1.00 0.60 H new ATOM 0 HB VAL A 25 1.741 -11.974 -11.366 1.00 0.91 H new ATOM 0 HG11 VAL A 25 4.055 -12.126 -12.172 1.00 1.48 H new ATOM 0 HG12 VAL A 25 3.641 -10.487 -11.613 1.00 1.48 H new ATOM 0 HG13 VAL A 25 4.636 -11.551 -10.591 1.00 1.48 H new ATOM 0 HG21 VAL A 25 2.990 -14.097 -11.169 1.00 1.67 H new ATOM 0 HG22 VAL A 25 3.490 -13.639 -9.524 1.00 1.67 H new ATOM 0 HG23 VAL A 25 1.770 -13.917 -9.886 1.00 1.67 H new ATOM 552 N GLU A 26 2.640 -11.862 -7.126 1.00 0.43 N ATOM 553 CA GLU A 26 3.425 -12.061 -5.918 1.00 0.48 C ATOM 554 C GLU A 26 3.977 -13.488 -5.897 1.00 0.53 C ATOM 555 O GLU A 26 3.969 -14.163 -4.869 1.00 0.68 O ATOM 556 CB GLU A 26 2.511 -11.826 -4.711 1.00 0.51 C ATOM 557 CG GLU A 26 3.218 -11.691 -3.370 1.00 0.74 C ATOM 558 CD GLU A 26 4.069 -10.441 -3.252 1.00 1.01 C ATOM 559 OE1 GLU A 26 4.980 -10.269 -4.090 1.00 1.85 O ATOM 560 OE2 GLU A 26 3.847 -9.634 -2.328 1.00 1.50 O ATOM 0 H GLU A 26 1.653 -12.094 -7.017 1.00 0.43 H new ATOM 0 HA GLU A 26 4.264 -11.366 -5.887 1.00 0.48 H new ATOM 0 HB2 GLU A 26 1.930 -10.921 -4.888 1.00 0.51 H new ATOM 0 HB3 GLU A 26 1.803 -12.652 -4.647 1.00 0.51 H new ATOM 0 HG2 GLU A 26 2.472 -11.689 -2.575 1.00 0.74 H new ATOM 0 HG3 GLU A 26 3.849 -12.566 -3.212 1.00 0.74 H new ATOM 567 N GLY A 27 4.451 -13.939 -7.045 1.00 0.54 N ATOM 568 CA GLY A 27 4.864 -15.318 -7.185 1.00 0.60 C ATOM 569 C GLY A 27 3.684 -16.208 -7.502 1.00 0.69 C ATOM 570 O GLY A 27 3.463 -16.579 -8.656 1.00 0.80 O ATOM 0 H GLY A 27 4.558 -13.373 -7.887 1.00 0.54 H new ATOM 0 HA2 GLY A 27 5.609 -15.400 -7.977 1.00 0.60 H new ATOM 0 HA3 GLY A 27 5.340 -15.654 -6.264 1.00 0.60 H new ATOM 574 N ASP A 28 2.905 -16.531 -6.479 1.00 0.75 N ATOM 575 CA ASP A 28 1.688 -17.307 -6.668 1.00 0.93 C ATOM 576 C ASP A 28 0.537 -16.643 -5.926 1.00 0.85 C ATOM 577 O ASP A 28 -0.524 -17.221 -5.718 1.00 1.07 O ATOM 578 CB ASP A 28 1.894 -18.751 -6.192 1.00 1.21 C ATOM 579 CG ASP A 28 0.753 -19.677 -6.573 1.00 1.64 C ATOM 580 OD1 ASP A 28 0.635 -20.023 -7.767 1.00 2.13 O ATOM 581 OD2 ASP A 28 -0.011 -20.092 -5.672 1.00 2.21 O ATOM 0 H ASP A 28 3.094 -16.268 -5.512 1.00 0.75 H new ATOM 0 HA ASP A 28 1.443 -17.339 -7.730 1.00 0.93 H new ATOM 0 HB2 ASP A 28 2.822 -19.137 -6.614 1.00 1.21 H new ATOM 0 HB3 ASP A 28 2.010 -18.756 -5.108 1.00 1.21 H new ATOM 586 N GLN A 29 0.758 -15.399 -5.558 1.00 0.61 N ATOM 587 CA GLN A 29 -0.243 -14.605 -4.876 1.00 0.54 C ATOM 588 C GLN A 29 -0.642 -13.431 -5.749 1.00 0.41 C ATOM 589 O GLN A 29 0.190 -12.872 -6.465 1.00 0.38 O ATOM 590 CB GLN A 29 0.315 -14.112 -3.540 1.00 0.60 C ATOM 591 CG GLN A 29 -0.518 -13.038 -2.854 1.00 0.62 C ATOM 592 CD GLN A 29 -0.320 -13.015 -1.357 1.00 0.73 C ATOM 593 OE1 GLN A 29 -1.046 -13.668 -0.612 1.00 1.01 O ATOM 594 NE2 GLN A 29 0.663 -12.261 -0.904 1.00 0.74 N ATOM 0 H GLN A 29 1.637 -14.909 -5.723 1.00 0.61 H new ATOM 0 HA GLN A 29 -1.125 -15.215 -4.683 1.00 0.54 H new ATOM 0 HB2 GLN A 29 0.410 -14.963 -2.866 1.00 0.60 H new ATOM 0 HB3 GLN A 29 1.320 -13.722 -3.704 1.00 0.60 H new ATOM 0 HG2 GLN A 29 -0.257 -12.063 -3.266 1.00 0.62 H new ATOM 0 HG3 GLN A 29 -1.572 -13.205 -3.074 1.00 0.62 H new ATOM 0 HE21 GLN A 29 1.244 -11.734 -1.556 1.00 0.74 H new ATOM 0 HE22 GLN A 29 0.843 -12.205 0.099 1.00 0.74 H new ATOM 603 N VAL A 30 -1.910 -13.075 -5.721 1.00 0.37 N ATOM 604 CA VAL A 30 -2.352 -11.904 -6.444 1.00 0.31 C ATOM 605 C VAL A 30 -2.692 -10.790 -5.468 1.00 0.24 C ATOM 606 O VAL A 30 -3.461 -10.961 -4.512 1.00 0.28 O ATOM 607 CB VAL A 30 -3.543 -12.193 -7.392 1.00 0.42 C ATOM 608 CG1 VAL A 30 -3.124 -13.136 -8.515 1.00 1.08 C ATOM 609 CG2 VAL A 30 -4.723 -12.773 -6.632 1.00 0.98 C ATOM 0 H VAL A 30 -2.642 -13.572 -5.213 1.00 0.37 H new ATOM 0 HA VAL A 30 -1.527 -11.587 -7.082 1.00 0.31 H new ATOM 0 HB VAL A 30 -3.854 -11.245 -7.830 1.00 0.42 H new ATOM 0 HG11 VAL A 30 -3.976 -13.325 -9.168 1.00 1.08 H new ATOM 0 HG12 VAL A 30 -2.319 -12.680 -9.091 1.00 1.08 H new ATOM 0 HG13 VAL A 30 -2.777 -14.078 -8.089 1.00 1.08 H new ATOM 0 HG21 VAL A 30 -5.543 -12.965 -7.324 1.00 0.98 H new ATOM 0 HG22 VAL A 30 -4.425 -13.706 -6.155 1.00 0.98 H new ATOM 0 HG23 VAL A 30 -5.049 -12.064 -5.871 1.00 0.98 H new ATOM 619 N LYS A 31 -2.042 -9.671 -5.654 1.00 0.20 N ATOM 620 CA LYS A 31 -2.205 -8.566 -4.756 1.00 0.21 C ATOM 621 C LYS A 31 -2.338 -7.262 -5.530 1.00 0.22 C ATOM 622 O LYS A 31 -1.777 -7.116 -6.618 1.00 0.25 O ATOM 623 CB LYS A 31 -1.024 -8.538 -3.794 1.00 0.31 C ATOM 624 CG LYS A 31 0.258 -8.018 -4.423 1.00 0.38 C ATOM 625 CD LYS A 31 1.440 -8.173 -3.488 1.00 0.55 C ATOM 626 CE LYS A 31 1.113 -7.691 -2.085 1.00 0.64 C ATOM 627 NZ LYS A 31 2.273 -7.828 -1.167 1.00 0.91 N ATOM 0 H LYS A 31 -1.393 -9.504 -6.423 1.00 0.20 H new ATOM 0 HA LYS A 31 -3.122 -8.685 -4.180 1.00 0.21 H new ATOM 0 HB2 LYS A 31 -1.278 -7.914 -2.937 1.00 0.31 H new ATOM 0 HB3 LYS A 31 -0.851 -9.545 -3.415 1.00 0.31 H new ATOM 0 HG2 LYS A 31 0.454 -8.557 -5.350 1.00 0.38 H new ATOM 0 HG3 LYS A 31 0.135 -6.967 -4.685 1.00 0.38 H new ATOM 0 HD2 LYS A 31 1.741 -9.220 -3.452 1.00 0.55 H new ATOM 0 HD3 LYS A 31 2.289 -7.611 -3.878 1.00 0.55 H new ATOM 0 HE2 LYS A 31 0.802 -6.647 -2.123 1.00 0.64 H new ATOM 0 HE3 LYS A 31 0.271 -8.261 -1.693 1.00 0.64 H new ATOM 0 HZ1 LYS A 31 2.036 -8.496 -0.406 1.00 0.91 H new ATOM 0 HZ2 LYS A 31 3.094 -8.184 -1.696 1.00 0.91 H new ATOM 0 HZ3 LYS A 31 2.502 -6.901 -0.756 1.00 0.91 H new ATOM 641 N LEU A 32 -3.093 -6.335 -4.974 1.00 0.27 N ATOM 642 CA LEU A 32 -3.249 -5.013 -5.559 1.00 0.30 C ATOM 643 C LEU A 32 -2.361 -4.038 -4.815 1.00 0.29 C ATOM 644 O LEU A 32 -1.869 -4.361 -3.750 1.00 0.33 O ATOM 645 CB LEU A 32 -4.708 -4.554 -5.480 1.00 0.43 C ATOM 646 CG LEU A 32 -5.319 -4.560 -4.074 1.00 0.53 C ATOM 647 CD1 LEU A 32 -5.081 -3.232 -3.367 1.00 0.57 C ATOM 648 CD2 LEU A 32 -6.801 -4.880 -4.137 1.00 0.75 C ATOM 0 H LEU A 32 -3.614 -6.473 -4.108 1.00 0.27 H new ATOM 0 HA LEU A 32 -2.961 -5.051 -6.610 1.00 0.30 H new ATOM 0 HB2 LEU A 32 -4.777 -3.544 -5.884 1.00 0.43 H new ATOM 0 HB3 LEU A 32 -5.310 -5.196 -6.123 1.00 0.43 H new ATOM 0 HG LEU A 32 -4.825 -5.339 -3.494 1.00 0.53 H new ATOM 0 HD11 LEU A 32 -5.525 -3.265 -2.372 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -4.009 -3.053 -3.280 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -5.538 -2.427 -3.942 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -7.216 -4.880 -3.129 1.00 0.75 H new ATOM 0 HD22 LEU A 32 -7.310 -4.128 -4.740 1.00 0.75 H new ATOM 0 HD23 LEU A 32 -6.942 -5.863 -4.587 1.00 0.75 H new ATOM 660 N GLY A 33 -2.132 -2.871 -5.368 1.00 0.29 N ATOM 661 CA GLY A 33 -1.382 -1.872 -4.647 1.00 0.29 C ATOM 662 C GLY A 33 -2.057 -0.526 -4.673 1.00 0.30 C ATOM 663 O GLY A 33 -2.640 -0.141 -5.686 1.00 0.41 O ATOM 0 H GLY A 33 -2.447 -2.593 -6.297 1.00 0.29 H new ATOM 0 HA2 GLY A 33 -1.254 -2.192 -3.613 1.00 0.29 H new ATOM 0 HA3 GLY A 33 -0.385 -1.785 -5.080 1.00 0.29 H new ATOM 667 N ILE A 34 -2.010 0.183 -3.556 1.00 0.26 N ATOM 668 CA ILE A 34 -2.471 1.556 -3.541 1.00 0.30 C ATOM 669 C ILE A 34 -1.285 2.487 -3.805 1.00 0.29 C ATOM 670 O ILE A 34 -0.258 2.415 -3.121 1.00 0.27 O ATOM 671 CB ILE A 34 -3.189 1.965 -2.231 1.00 0.34 C ATOM 672 CG1 ILE A 34 -2.215 2.084 -1.064 1.00 0.35 C ATOM 673 CG2 ILE A 34 -4.292 0.968 -1.903 1.00 0.36 C ATOM 674 CD1 ILE A 34 -2.727 2.981 0.040 1.00 1.16 C ATOM 0 H ILE A 34 -1.662 -0.165 -2.663 1.00 0.26 H new ATOM 0 HA ILE A 34 -3.219 1.646 -4.329 1.00 0.30 H new ATOM 0 HB ILE A 34 -3.631 2.949 -2.389 1.00 0.34 H new ATOM 0 HG12 ILE A 34 -2.020 1.092 -0.658 1.00 0.35 H new ATOM 0 HG13 ILE A 34 -1.264 2.472 -1.429 1.00 0.35 H new ATOM 0 HG21 ILE A 34 -4.789 1.266 -0.980 1.00 0.36 H new ATOM 0 HG22 ILE A 34 -5.018 0.948 -2.716 1.00 0.36 H new ATOM 0 HG23 ILE A 34 -3.860 -0.025 -1.778 1.00 0.36 H new ATOM 0 HD11 ILE A 34 -1.991 3.027 0.843 1.00 1.16 H new ATOM 0 HD12 ILE A 34 -2.896 3.983 -0.354 1.00 1.16 H new ATOM 0 HD13 ILE A 34 -3.663 2.581 0.429 1.00 1.16 H new ATOM 686 N ASP A 35 -1.396 3.322 -4.822 1.00 0.36 N ATOM 687 CA ASP A 35 -0.317 4.245 -5.156 1.00 0.37 C ATOM 688 C ASP A 35 -0.763 5.685 -4.966 1.00 0.38 C ATOM 689 O ASP A 35 -1.777 6.116 -5.524 1.00 0.51 O ATOM 690 CB ASP A 35 0.185 4.013 -6.587 1.00 0.53 C ATOM 691 CG ASP A 35 0.953 5.199 -7.147 1.00 1.15 C ATOM 692 OD1 ASP A 35 2.080 5.469 -6.667 1.00 1.94 O ATOM 693 OD2 ASP A 35 0.444 5.865 -8.067 1.00 1.40 O ATOM 0 H ASP A 35 -2.213 3.383 -5.429 1.00 0.36 H new ATOM 0 HA ASP A 35 0.513 4.053 -4.476 1.00 0.37 H new ATOM 0 HB2 ASP A 35 0.826 3.132 -6.603 1.00 0.53 H new ATOM 0 HB3 ASP A 35 -0.666 3.800 -7.234 1.00 0.53 H new ATOM 698 N ALA A 36 -0.005 6.418 -4.169 1.00 0.34 N ATOM 699 CA ALA A 36 -0.330 7.795 -3.860 1.00 0.42 C ATOM 700 C ALA A 36 0.925 8.659 -3.900 1.00 0.46 C ATOM 701 O ALA A 36 2.009 8.198 -3.533 1.00 0.49 O ATOM 702 CB ALA A 36 -0.992 7.876 -2.495 1.00 0.48 C ATOM 0 H ALA A 36 0.846 6.077 -3.722 1.00 0.34 H new ATOM 0 HA ALA A 36 -1.026 8.171 -4.610 1.00 0.42 H new ATOM 0 HB1 ALA A 36 -1.234 8.915 -2.269 1.00 0.48 H new ATOM 0 HB2 ALA A 36 -1.907 7.283 -2.498 1.00 0.48 H new ATOM 0 HB3 ALA A 36 -0.311 7.489 -1.737 1.00 0.48 H new ATOM 708 N PRO A 37 0.784 9.930 -4.323 1.00 0.54 N ATOM 709 CA PRO A 37 1.911 10.871 -4.461 1.00 0.63 C ATOM 710 C PRO A 37 2.456 11.358 -3.116 1.00 0.61 C ATOM 711 O PRO A 37 2.774 12.536 -2.953 1.00 0.65 O ATOM 712 CB PRO A 37 1.290 12.035 -5.234 1.00 0.71 C ATOM 713 CG PRO A 37 -0.152 12.002 -4.865 1.00 0.77 C ATOM 714 CD PRO A 37 -0.496 10.550 -4.721 1.00 0.62 C ATOM 0 HA PRO A 37 2.767 10.407 -4.951 1.00 0.63 H new ATOM 0 HB2 PRO A 37 1.749 12.984 -4.958 1.00 0.71 H new ATOM 0 HB3 PRO A 37 1.427 11.916 -6.309 1.00 0.71 H new ATOM 0 HG2 PRO A 37 -0.332 12.542 -3.935 1.00 0.77 H new ATOM 0 HG3 PRO A 37 -0.764 12.476 -5.632 1.00 0.77 H new ATOM 0 HD2 PRO A 37 -1.269 10.393 -3.969 1.00 0.62 H new ATOM 0 HD3 PRO A 37 -0.871 10.132 -5.655 1.00 0.62 H new ATOM 722 N LYS A 38 2.555 10.433 -2.161 1.00 0.59 N ATOM 723 CA LYS A 38 3.115 10.708 -0.840 1.00 0.63 C ATOM 724 C LYS A 38 2.304 11.779 -0.098 1.00 0.68 C ATOM 725 O LYS A 38 2.799 12.446 0.810 1.00 1.12 O ATOM 726 CB LYS A 38 4.588 11.111 -0.976 1.00 0.73 C ATOM 727 CG LYS A 38 5.368 11.104 0.323 1.00 1.19 C ATOM 728 CD LYS A 38 5.208 9.787 1.072 1.00 0.90 C ATOM 729 CE LYS A 38 6.397 9.535 1.978 1.00 0.92 C ATOM 730 NZ LYS A 38 6.607 10.645 2.943 1.00 1.86 N ATOM 0 H LYS A 38 2.247 9.468 -2.284 1.00 0.59 H new ATOM 0 HA LYS A 38 3.057 9.799 -0.241 1.00 0.63 H new ATOM 0 HB2 LYS A 38 5.073 10.433 -1.679 1.00 0.73 H new ATOM 0 HB3 LYS A 38 4.639 12.110 -1.409 1.00 0.73 H new ATOM 0 HG2 LYS A 38 6.424 11.277 0.114 1.00 1.19 H new ATOM 0 HG3 LYS A 38 5.029 11.925 0.955 1.00 1.19 H new ATOM 0 HD2 LYS A 38 4.293 9.809 1.663 1.00 0.90 H new ATOM 0 HD3 LYS A 38 5.108 8.968 0.360 1.00 0.90 H new ATOM 0 HE2 LYS A 38 6.246 8.604 2.524 1.00 0.92 H new ATOM 0 HE3 LYS A 38 7.294 9.407 1.372 1.00 0.92 H new ATOM 0 HZ1 LYS A 38 7.303 10.355 3.659 1.00 1.86 H new ATOM 0 HZ2 LYS A 38 6.959 11.483 2.437 1.00 1.86 H new ATOM 0 HZ3 LYS A 38 5.706 10.875 3.409 1.00 1.86 H new ATOM 744 N HIS A 39 1.039 11.917 -0.483 1.00 0.67 N ATOM 745 CA HIS A 39 0.106 12.782 0.232 1.00 0.67 C ATOM 746 C HIS A 39 -0.126 12.229 1.645 1.00 0.62 C ATOM 747 O HIS A 39 0.399 11.165 1.997 1.00 0.70 O ATOM 748 CB HIS A 39 -1.241 12.856 -0.528 1.00 0.69 C ATOM 749 CG HIS A 39 -2.104 11.632 -0.345 1.00 0.60 C ATOM 750 ND1 HIS A 39 -1.581 10.414 0.020 1.00 0.57 N ATOM 751 CD2 HIS A 39 -3.451 11.459 -0.396 1.00 0.59 C ATOM 752 CE1 HIS A 39 -2.550 9.551 0.196 1.00 0.55 C ATOM 753 NE2 HIS A 39 -3.703 10.149 -0.052 1.00 0.54 N ATOM 0 H HIS A 39 0.635 11.439 -1.289 1.00 0.67 H new ATOM 0 HA HIS A 39 0.529 13.784 0.299 1.00 0.67 H new ATOM 0 HB2 HIS A 39 -1.792 13.733 -0.189 1.00 0.69 H new ATOM 0 HB3 HIS A 39 -1.042 12.995 -1.591 1.00 0.69 H new ATOM 0 HD2 HIS A 39 -4.185 12.207 -0.657 1.00 0.59 H new ATOM 0 HE1 HIS A 39 -2.428 8.520 0.495 1.00 0.55 H new ATOM 0 HE2 HIS A 39 -4.624 9.714 0.002 1.00 0.54 H new ATOM 762 N ILE A 40 -0.956 12.903 2.412 1.00 0.63 N ATOM 763 CA ILE A 40 -1.386 12.384 3.691 1.00 0.64 C ATOM 764 C ILE A 40 -2.612 11.527 3.452 1.00 0.44 C ATOM 765 O ILE A 40 -3.425 11.837 2.584 1.00 0.44 O ATOM 766 CB ILE A 40 -1.736 13.497 4.710 1.00 0.85 C ATOM 767 CG1 ILE A 40 -3.012 14.252 4.294 1.00 0.90 C ATOM 768 CG2 ILE A 40 -0.566 14.456 4.878 1.00 1.06 C ATOM 769 CD1 ILE A 40 -2.812 15.318 3.230 1.00 1.02 C ATOM 0 H ILE A 40 -1.347 13.814 2.171 1.00 0.63 H new ATOM 0 HA ILE A 40 -0.563 11.813 4.120 1.00 0.64 H new ATOM 0 HB ILE A 40 -1.931 13.024 5.672 1.00 0.85 H new ATOM 0 HG12 ILE A 40 -3.741 13.528 3.929 1.00 0.90 H new ATOM 0 HG13 ILE A 40 -3.443 14.720 5.179 1.00 0.90 H new ATOM 0 HG21 ILE A 40 -0.831 15.231 5.598 1.00 1.06 H new ATOM 0 HG22 ILE A 40 0.305 13.908 5.239 1.00 1.06 H new ATOM 0 HG23 ILE A 40 -0.333 14.917 3.918 1.00 1.06 H new ATOM 0 HD11 ILE A 40 -3.768 15.792 3.006 1.00 1.02 H new ATOM 0 HD12 ILE A 40 -2.111 16.069 3.595 1.00 1.02 H new ATOM 0 HD13 ILE A 40 -2.414 14.859 2.325 1.00 1.02 H new ATOM 781 N ASP A 41 -2.736 10.440 4.171 1.00 0.43 N ATOM 782 CA ASP A 41 -3.874 9.567 3.981 1.00 0.34 C ATOM 783 C ASP A 41 -5.006 9.935 4.918 1.00 0.31 C ATOM 784 O ASP A 41 -4.861 9.917 6.141 1.00 0.38 O ATOM 785 CB ASP A 41 -3.469 8.094 4.101 1.00 0.54 C ATOM 786 CG ASP A 41 -2.506 7.792 5.226 1.00 0.90 C ATOM 787 OD1 ASP A 41 -1.364 8.303 5.197 1.00 1.36 O ATOM 788 OD2 ASP A 41 -2.879 7.003 6.111 1.00 1.05 O ATOM 0 H ASP A 41 -2.074 10.138 4.886 1.00 0.43 H new ATOM 0 HA ASP A 41 -4.246 9.708 2.966 1.00 0.34 H new ATOM 0 HB2 ASP A 41 -4.369 7.494 4.241 1.00 0.54 H new ATOM 0 HB3 ASP A 41 -3.018 7.778 3.160 1.00 0.54 H new ATOM 793 N ILE A 42 -6.134 10.277 4.317 1.00 0.28 N ATOM 794 CA ILE A 42 -7.292 10.761 5.052 1.00 0.30 C ATOM 795 C ILE A 42 -8.010 9.592 5.698 1.00 0.29 C ATOM 796 O ILE A 42 -8.040 8.501 5.140 1.00 0.31 O ATOM 797 CB ILE A 42 -8.268 11.496 4.103 1.00 0.38 C ATOM 798 CG1 ILE A 42 -7.516 12.545 3.282 1.00 0.41 C ATOM 799 CG2 ILE A 42 -9.408 12.140 4.885 1.00 0.47 C ATOM 800 CD1 ILE A 42 -8.389 13.287 2.293 1.00 1.28 C ATOM 0 H ILE A 42 -6.273 10.227 3.308 1.00 0.28 H new ATOM 0 HA ILE A 42 -6.951 11.457 5.819 1.00 0.30 H new ATOM 0 HB ILE A 42 -8.702 10.764 3.421 1.00 0.38 H new ATOM 0 HG12 ILE A 42 -7.059 13.265 3.961 1.00 0.41 H new ATOM 0 HG13 ILE A 42 -6.705 12.057 2.742 1.00 0.41 H new ATOM 0 HG21 ILE A 42 -10.080 12.650 4.195 1.00 0.47 H new ATOM 0 HG22 ILE A 42 -9.959 11.370 5.425 1.00 0.47 H new ATOM 0 HG23 ILE A 42 -9.001 12.861 5.594 1.00 0.47 H new ATOM 0 HD11 ILE A 42 -7.786 14.013 1.749 1.00 1.28 H new ATOM 0 HD12 ILE A 42 -8.826 12.578 1.590 1.00 1.28 H new ATOM 0 HD13 ILE A 42 -9.185 13.805 2.828 1.00 1.28 H new ATOM 812 N HIS A 43 -8.551 9.795 6.887 1.00 0.31 N ATOM 813 CA HIS A 43 -9.267 8.728 7.572 1.00 0.33 C ATOM 814 C HIS A 43 -10.551 9.268 8.182 1.00 0.45 C ATOM 815 O HIS A 43 -10.743 10.480 8.265 1.00 0.52 O ATOM 816 CB HIS A 43 -8.410 8.070 8.657 1.00 0.30 C ATOM 817 CG HIS A 43 -7.007 7.750 8.231 1.00 0.27 C ATOM 818 ND1 HIS A 43 -5.895 8.140 8.937 1.00 0.37 N ATOM 819 CD2 HIS A 43 -6.541 7.061 7.164 1.00 0.23 C ATOM 820 CE1 HIS A 43 -4.812 7.704 8.324 1.00 0.38 C ATOM 821 NE2 HIS A 43 -5.175 7.045 7.247 1.00 0.28 N ATOM 0 H HIS A 43 -8.510 10.678 7.395 1.00 0.31 H new ATOM 0 HA HIS A 43 -9.507 7.965 6.831 1.00 0.33 H new ATOM 0 HB2 HIS A 43 -8.372 8.731 9.523 1.00 0.30 H new ATOM 0 HB3 HIS A 43 -8.897 7.150 8.979 1.00 0.30 H new ATOM 0 HD2 HIS A 43 -7.138 6.606 6.388 1.00 0.23 H new ATOM 0 HE1 HIS A 43 -3.795 7.862 8.653 1.00 0.38 H new ATOM 0 HE2 HIS A 43 -4.544 6.596 6.583 1.00 0.28 H new ATOM 830 N ARG A 44 -11.428 8.366 8.593 1.00 0.52 N ATOM 831 CA ARG A 44 -12.719 8.766 9.148 1.00 0.70 C ATOM 832 C ARG A 44 -12.622 8.892 10.664 1.00 0.87 C ATOM 833 O ARG A 44 -12.650 9.995 11.210 1.00 1.74 O ATOM 834 CB ARG A 44 -13.802 7.758 8.760 1.00 0.99 C ATOM 835 CG ARG A 44 -15.192 8.149 9.229 1.00 1.38 C ATOM 836 CD ARG A 44 -16.241 7.148 8.772 1.00 1.75 C ATOM 837 NE ARG A 44 -16.064 5.833 9.390 1.00 2.71 N ATOM 838 CZ ARG A 44 -17.018 4.903 9.435 1.00 3.43 C ATOM 839 NH1 ARG A 44 -18.189 5.119 8.841 1.00 3.41 N ATOM 840 NH2 ARG A 44 -16.795 3.749 10.060 1.00 4.52 N ATOM 0 H ARG A 44 -11.275 7.358 8.555 1.00 0.52 H new ATOM 0 HA ARG A 44 -12.992 9.737 8.736 1.00 0.70 H new ATOM 0 HB2 ARG A 44 -13.811 7.647 7.676 1.00 0.99 H new ATOM 0 HB3 ARG A 44 -13.547 6.784 9.178 1.00 0.99 H new ATOM 0 HG2 ARG A 44 -15.203 8.217 10.317 1.00 1.38 H new ATOM 0 HG3 ARG A 44 -15.441 9.138 8.845 1.00 1.38 H new ATOM 0 HD2 ARG A 44 -17.233 7.530 9.014 1.00 1.75 H new ATOM 0 HD3 ARG A 44 -16.194 7.046 7.688 1.00 1.75 H new ATOM 0 HE ARG A 44 -15.160 5.616 9.810 1.00 2.71 H new ATOM 0 HH11 ARG A 44 -18.358 5.997 8.350 1.00 3.41 H new ATOM 0 HH12 ARG A 44 -18.918 4.406 8.876 1.00 3.41 H new ATOM 0 HH21 ARG A 44 -15.894 3.576 10.505 1.00 4.52 H new ATOM 0 HH22 ARG A 44 -17.526 3.038 10.094 1.00 4.52 H new ATOM 854 N LYS A 45 -12.520 7.754 11.332 1.00 0.90 N ATOM 855 CA LYS A 45 -12.263 7.715 12.766 1.00 0.97 C ATOM 856 C LYS A 45 -11.010 6.896 13.002 1.00 1.10 C ATOM 857 O LYS A 45 -10.040 7.359 13.600 1.00 2.07 O ATOM 858 CB LYS A 45 -13.441 7.095 13.517 1.00 1.13 C ATOM 859 CG LYS A 45 -14.734 7.882 13.401 1.00 1.58 C ATOM 860 CD LYS A 45 -15.843 7.257 14.233 1.00 2.14 C ATOM 861 CE LYS A 45 -15.475 7.213 15.711 1.00 2.99 C ATOM 862 NZ LYS A 45 -15.323 8.575 16.291 1.00 3.41 N ATOM 0 H LYS A 45 -12.612 6.835 10.900 1.00 0.90 H new ATOM 0 HA LYS A 45 -12.130 8.731 13.138 1.00 0.97 H new ATOM 0 HB2 LYS A 45 -13.608 6.086 13.140 1.00 1.13 H new ATOM 0 HB3 LYS A 45 -13.178 7.002 14.571 1.00 1.13 H new ATOM 0 HG2 LYS A 45 -14.567 8.908 13.728 1.00 1.58 H new ATOM 0 HG3 LYS A 45 -15.042 7.926 12.356 1.00 1.58 H new ATOM 0 HD2 LYS A 45 -16.763 7.828 14.103 1.00 2.14 H new ATOM 0 HD3 LYS A 45 -16.042 6.246 13.876 1.00 2.14 H new ATOM 0 HE2 LYS A 45 -16.244 6.670 16.260 1.00 2.99 H new ATOM 0 HE3 LYS A 45 -14.544 6.660 15.836 1.00 2.99 H new ATOM 0 HZ1 LYS A 45 -15.224 8.503 17.324 1.00 3.41 H new ATOM 0 HZ2 LYS A 45 -14.477 9.029 15.893 1.00 3.41 H new ATOM 0 HZ3 LYS A 45 -16.162 9.145 16.062 1.00 3.41 H new ATOM 876 N GLU A 46 -11.057 5.667 12.520 1.00 0.79 N ATOM 877 CA GLU A 46 -9.881 4.827 12.417 1.00 0.83 C ATOM 878 C GLU A 46 -9.306 5.010 11.022 1.00 0.92 C ATOM 879 O GLU A 46 -9.905 5.707 10.192 1.00 1.78 O ATOM 880 CB GLU A 46 -10.254 3.362 12.656 1.00 0.95 C ATOM 881 CG GLU A 46 -11.268 2.836 11.653 1.00 1.87 C ATOM 882 CD GLU A 46 -11.740 1.433 11.967 1.00 2.53 C ATOM 883 OE1 GLU A 46 -11.074 0.470 11.540 1.00 3.10 O ATOM 884 OE2 GLU A 46 -12.788 1.293 12.636 1.00 2.94 O ATOM 0 H GLU A 46 -11.914 5.224 12.189 1.00 0.79 H new ATOM 0 HA GLU A 46 -9.143 5.107 13.169 1.00 0.83 H new ATOM 0 HB2 GLU A 46 -9.353 2.751 12.608 1.00 0.95 H new ATOM 0 HB3 GLU A 46 -10.658 3.255 13.663 1.00 0.95 H new ATOM 0 HG2 GLU A 46 -12.128 3.506 11.629 1.00 1.87 H new ATOM 0 HG3 GLU A 46 -10.826 2.850 10.657 1.00 1.87 H new ATOM 891 N ILE A 47 -8.167 4.407 10.735 1.00 0.52 N ATOM 892 CA ILE A 47 -7.611 4.526 9.405 1.00 0.42 C ATOM 893 C ILE A 47 -8.343 3.597 8.454 1.00 0.37 C ATOM 894 O ILE A 47 -8.449 2.395 8.687 1.00 0.40 O ATOM 895 CB ILE A 47 -6.094 4.259 9.341 1.00 0.46 C ATOM 896 CG1 ILE A 47 -5.761 2.782 9.589 1.00 0.53 C ATOM 897 CG2 ILE A 47 -5.366 5.136 10.353 1.00 0.52 C ATOM 898 CD1 ILE A 47 -4.281 2.473 9.563 1.00 0.61 C ATOM 0 H ILE A 47 -7.622 3.844 11.388 1.00 0.52 H new ATOM 0 HA ILE A 47 -7.751 5.564 9.104 1.00 0.42 H new ATOM 0 HB ILE A 47 -5.758 4.508 8.334 1.00 0.46 H new ATOM 0 HG12 ILE A 47 -6.167 2.486 10.556 1.00 0.53 H new ATOM 0 HG13 ILE A 47 -6.262 2.175 8.834 1.00 0.53 H new ATOM 0 HG21 ILE A 47 -4.295 4.940 10.300 1.00 0.52 H new ATOM 0 HG22 ILE A 47 -5.555 6.186 10.127 1.00 0.52 H new ATOM 0 HG23 ILE A 47 -5.727 4.910 11.356 1.00 0.52 H new ATOM 0 HD11 ILE A 47 -4.128 1.409 9.746 1.00 0.61 H new ATOM 0 HD12 ILE A 47 -3.872 2.736 8.588 1.00 0.61 H new ATOM 0 HD13 ILE A 47 -3.775 3.051 10.336 1.00 0.61 H new ATOM 910 N TYR A 48 -8.894 4.161 7.397 1.00 0.32 N ATOM 911 CA TYR A 48 -9.683 3.373 6.478 1.00 0.30 C ATOM 912 C TYR A 48 -8.837 2.811 5.331 1.00 0.29 C ATOM 913 O TYR A 48 -9.300 1.970 4.570 1.00 0.30 O ATOM 914 CB TYR A 48 -10.916 4.161 6.012 1.00 0.29 C ATOM 915 CG TYR A 48 -10.674 5.421 5.206 1.00 0.27 C ATOM 916 CD1 TYR A 48 -9.756 5.408 4.169 1.00 0.24 C ATOM 917 CD2 TYR A 48 -11.309 6.614 5.501 1.00 0.32 C ATOM 918 CE1 TYR A 48 -9.473 6.550 3.451 1.00 0.23 C ATOM 919 CE2 TYR A 48 -11.040 7.762 4.783 1.00 0.33 C ATOM 920 CZ TYR A 48 -10.349 7.729 3.697 1.00 0.29 C ATOM 921 OH TYR A 48 -9.832 8.864 3.051 1.00 0.31 O ATOM 0 H TYR A 48 -8.810 5.149 7.157 1.00 0.32 H new ATOM 0 HA TYR A 48 -10.058 2.496 7.006 1.00 0.30 H new ATOM 0 HB2 TYR A 48 -11.537 3.493 5.415 1.00 0.29 H new ATOM 0 HB3 TYR A 48 -11.496 4.432 6.894 1.00 0.29 H new ATOM 0 HD1 TYR A 48 -9.253 4.486 3.918 1.00 0.24 H new ATOM 0 HD2 TYR A 48 -12.027 6.648 6.307 1.00 0.32 H new ATOM 0 HE1 TYR A 48 -8.657 6.588 2.745 1.00 0.23 H new ATOM 0 HE2 TYR A 48 -11.418 8.709 5.140 1.00 0.33 H new ATOM 0 HH TYR A 48 -10.465 9.607 3.139 1.00 0.31 H new ATOM 931 N LEU A 49 -7.589 3.273 5.225 1.00 0.29 N ATOM 932 CA LEU A 49 -6.655 2.708 4.252 1.00 0.29 C ATOM 933 C LEU A 49 -5.987 1.473 4.824 1.00 0.30 C ATOM 934 O LEU A 49 -6.254 0.366 4.383 1.00 0.36 O ATOM 935 CB LEU A 49 -5.563 3.707 3.840 1.00 0.36 C ATOM 936 CG LEU A 49 -6.020 4.907 3.015 1.00 0.40 C ATOM 937 CD1 LEU A 49 -6.444 6.047 3.917 1.00 0.60 C ATOM 938 CD2 LEU A 49 -4.916 5.353 2.070 1.00 0.67 C ATOM 0 H LEU A 49 -7.206 4.028 5.794 1.00 0.29 H new ATOM 0 HA LEU A 49 -7.240 2.455 3.368 1.00 0.29 H new ATOM 0 HB2 LEU A 49 -5.080 4.078 4.744 1.00 0.36 H new ATOM 0 HB3 LEU A 49 -4.805 3.169 3.271 1.00 0.36 H new ATOM 0 HG LEU A 49 -6.882 4.606 2.420 1.00 0.40 H new ATOM 0 HD11 LEU A 49 -6.766 6.892 3.308 1.00 0.60 H new ATOM 0 HD12 LEU A 49 -7.268 5.722 4.551 1.00 0.60 H new ATOM 0 HD13 LEU A 49 -5.603 6.349 4.541 1.00 0.60 H new ATOM 0 HD21 LEU A 49 -5.258 6.210 1.489 1.00 0.67 H new ATOM 0 HD22 LEU A 49 -4.035 5.634 2.647 1.00 0.67 H new ATOM 0 HD23 LEU A 49 -4.662 4.535 1.395 1.00 0.67 H new ATOM 950 N THR A 50 -5.107 1.695 5.803 1.00 0.31 N ATOM 951 CA THR A 50 -4.315 0.636 6.443 1.00 0.36 C ATOM 952 C THR A 50 -3.311 0.008 5.472 1.00 0.41 C ATOM 953 O THR A 50 -2.603 -0.943 5.803 1.00 0.75 O ATOM 954 CB THR A 50 -5.202 -0.446 7.139 1.00 0.41 C ATOM 955 OG1 THR A 50 -4.561 -0.891 8.343 1.00 0.94 O ATOM 956 CG2 THR A 50 -5.462 -1.661 6.252 1.00 0.93 C ATOM 0 H THR A 50 -4.920 2.624 6.180 1.00 0.31 H new ATOM 0 HA THR A 50 -3.743 1.120 7.235 1.00 0.36 H new ATOM 0 HB THR A 50 -6.162 0.024 7.352 1.00 0.41 H new ATOM 0 HG1 THR A 50 -5.119 -1.568 8.779 1.00 0.94 H new ATOM 0 HG21 THR A 50 -6.083 -2.378 6.789 1.00 0.93 H new ATOM 0 HG22 THR A 50 -5.975 -1.345 5.344 1.00 0.93 H new ATOM 0 HG23 THR A 50 -4.513 -2.129 5.989 1.00 0.93 H new ATOM 964 N ILE A 51 -3.211 0.587 4.288 1.00 0.34 N ATOM 965 CA ILE A 51 -2.247 0.139 3.304 1.00 0.38 C ATOM 966 C ILE A 51 -1.006 1.014 3.361 1.00 0.35 C ATOM 967 O ILE A 51 0.071 0.571 3.762 1.00 0.36 O ATOM 968 CB ILE A 51 -2.823 0.201 1.898 1.00 0.46 C ATOM 969 CG1 ILE A 51 -4.298 -0.115 1.935 1.00 0.44 C ATOM 970 CG2 ILE A 51 -2.097 -0.761 0.975 1.00 0.61 C ATOM 971 CD1 ILE A 51 -4.628 -1.568 2.086 1.00 0.83 C ATOM 0 H ILE A 51 -3.789 1.371 3.986 1.00 0.34 H new ATOM 0 HA ILE A 51 -1.993 -0.895 3.536 1.00 0.38 H new ATOM 0 HB ILE A 51 -2.685 1.210 1.509 1.00 0.46 H new ATOM 0 HG12 ILE A 51 -4.752 0.433 2.761 1.00 0.44 H new ATOM 0 HG13 ILE A 51 -4.757 0.253 1.017 1.00 0.44 H new ATOM 0 HG21 ILE A 51 -2.526 -0.699 -0.025 1.00 0.61 H new ATOM 0 HG22 ILE A 51 -1.040 -0.498 0.933 1.00 0.61 H new ATOM 0 HG23 ILE A 51 -2.203 -1.778 1.353 1.00 0.61 H new ATOM 0 HD11 ILE A 51 -5.710 -1.695 2.102 1.00 0.83 H new ATOM 0 HD12 ILE A 51 -4.210 -2.125 1.248 1.00 0.83 H new ATOM 0 HD13 ILE A 51 -4.204 -1.942 3.018 1.00 0.83 H new ATOM 983 N GLN A 52 -1.173 2.283 2.981 1.00 0.36 N ATOM 984 CA GLN A 52 -0.059 3.218 2.971 1.00 0.39 C ATOM 985 C GLN A 52 0.177 3.798 4.357 1.00 0.38 C ATOM 986 O GLN A 52 1.241 4.307 4.629 1.00 0.53 O ATOM 987 CB GLN A 52 -0.276 4.378 2.001 1.00 0.47 C ATOM 988 CG GLN A 52 -1.071 5.531 2.606 1.00 0.60 C ATOM 989 CD GLN A 52 -0.977 6.807 1.796 1.00 0.85 C ATOM 990 OE1 GLN A 52 -0.913 6.780 0.570 1.00 0.89 O ATOM 991 NE2 GLN A 52 -0.897 7.936 2.482 1.00 1.32 N ATOM 0 H GLN A 52 -2.063 2.679 2.680 1.00 0.36 H new ATOM 0 HA GLN A 52 0.808 2.644 2.645 1.00 0.39 H new ATOM 0 HB2 GLN A 52 0.693 4.750 1.668 1.00 0.47 H new ATOM 0 HB3 GLN A 52 -0.798 4.011 1.117 1.00 0.47 H new ATOM 0 HG2 GLN A 52 -2.117 5.238 2.691 1.00 0.60 H new ATOM 0 HG3 GLN A 52 -0.711 5.722 3.617 1.00 0.60 H new ATOM 0 HE21 GLN A 52 -0.954 7.919 3.500 1.00 1.32 H new ATOM 0 HE22 GLN A 52 -0.778 8.823 1.992 1.00 1.32 H new ATOM 1000 N GLU A 53 -0.826 3.765 5.225 1.00 0.31 N ATOM 1001 CA GLU A 53 -0.624 4.248 6.587 1.00 0.32 C ATOM 1002 C GLU A 53 0.442 3.371 7.231 1.00 0.32 C ATOM 1003 O GLU A 53 1.325 3.839 7.940 1.00 0.39 O ATOM 1004 CB GLU A 53 -1.946 4.215 7.370 1.00 0.39 C ATOM 1005 CG GLU A 53 -1.993 5.129 8.597 1.00 0.66 C ATOM 1006 CD GLU A 53 -0.962 4.801 9.662 1.00 1.13 C ATOM 1007 OE1 GLU A 53 -1.041 3.710 10.257 1.00 1.89 O ATOM 1008 OE2 GLU A 53 -0.079 5.648 9.924 1.00 1.41 O ATOM 0 H GLU A 53 -1.763 3.419 5.020 1.00 0.31 H new ATOM 0 HA GLU A 53 -0.290 5.286 6.588 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -2.757 4.493 6.697 1.00 0.39 H new ATOM 0 HB3 GLU A 53 -2.136 3.191 7.691 1.00 0.39 H new ATOM 0 HG2 GLU A 53 -1.848 6.160 8.273 1.00 0.66 H new ATOM 0 HG3 GLU A 53 -2.987 5.071 9.040 1.00 0.66 H new ATOM 1015 N GLU A 54 0.375 2.095 6.901 1.00 0.33 N ATOM 1016 CA GLU A 54 1.379 1.130 7.301 1.00 0.39 C ATOM 1017 C GLU A 54 2.715 1.381 6.595 1.00 0.43 C ATOM 1018 O GLU A 54 3.781 1.093 7.137 1.00 0.54 O ATOM 1019 CB GLU A 54 0.878 -0.277 6.964 1.00 0.47 C ATOM 1020 CG GLU A 54 -0.092 -0.840 7.987 1.00 0.56 C ATOM 1021 CD GLU A 54 0.526 -0.963 9.362 1.00 1.15 C ATOM 1022 OE1 GLU A 54 1.274 -1.935 9.597 1.00 1.46 O ATOM 1023 OE2 GLU A 54 0.263 -0.092 10.218 1.00 1.84 O ATOM 0 H GLU A 54 -0.382 1.698 6.345 1.00 0.33 H new ATOM 0 HA GLU A 54 1.545 1.230 8.374 1.00 0.39 H new ATOM 0 HB2 GLU A 54 0.392 -0.256 5.989 1.00 0.47 H new ATOM 0 HB3 GLU A 54 1.733 -0.947 6.880 1.00 0.47 H new ATOM 0 HG2 GLU A 54 -0.970 -0.197 8.043 1.00 0.56 H new ATOM 0 HG3 GLU A 54 -0.435 -1.821 7.657 1.00 0.56 H new ATOM 1030 N ASN A 55 2.652 1.928 5.385 1.00 0.41 N ATOM 1031 CA ASN A 55 3.821 1.995 4.512 1.00 0.50 C ATOM 1032 C ASN A 55 3.938 3.330 3.784 1.00 0.57 C ATOM 1033 O ASN A 55 4.146 3.368 2.571 1.00 1.17 O ATOM 1034 CB ASN A 55 3.701 0.906 3.472 1.00 0.62 C ATOM 1035 CG ASN A 55 3.802 -0.491 4.052 1.00 1.36 C ATOM 1036 OD1 ASN A 55 4.890 -1.051 4.179 1.00 1.97 O ATOM 1037 ND2 ASN A 55 2.663 -1.070 4.393 1.00 1.85 N ATOM 0 H ASN A 55 1.804 2.331 4.986 1.00 0.41 H new ATOM 0 HA ASN A 55 4.706 1.875 5.138 1.00 0.50 H new ATOM 0 HB2 ASN A 55 2.746 1.010 2.956 1.00 0.62 H new ATOM 0 HB3 ASN A 55 4.483 1.039 2.725 1.00 0.62 H new ATOM 0 HD21 ASN A 55 2.666 -2.015 4.777 1.00 1.85 H new ATOM 0 HD22 ASN A 55 1.781 -0.572 4.272 1.00 1.85 H new ATOM 1044 N ASN A 56 3.808 4.419 4.509 1.00 0.67 N ATOM 1045 CA ASN A 56 3.832 5.734 3.899 1.00 0.75 C ATOM 1046 C ASN A 56 5.268 6.166 3.664 1.00 0.99 C ATOM 1047 O ASN A 56 5.668 6.488 2.545 1.00 1.50 O ATOM 1048 CB ASN A 56 3.099 6.724 4.807 1.00 0.71 C ATOM 1049 CG ASN A 56 2.905 8.103 4.198 1.00 0.84 C ATOM 1050 OD1 ASN A 56 3.733 8.583 3.433 1.00 1.28 O ATOM 1051 ND2 ASN A 56 1.793 8.744 4.525 1.00 0.91 N ATOM 0 H ASN A 56 3.685 4.422 5.521 1.00 0.67 H new ATOM 0 HA ASN A 56 3.326 5.706 2.934 1.00 0.75 H new ATOM 0 HB2 ASN A 56 2.123 6.311 5.062 1.00 0.71 H new ATOM 0 HB3 ASN A 56 3.656 6.826 5.739 1.00 0.71 H new ATOM 0 HD21 ASN A 56 1.604 9.668 4.137 1.00 0.91 H new ATOM 0 HD22 ASN A 56 1.126 8.314 5.165 1.00 0.91 H new ATOM 1058 N ARG A 57 6.027 6.145 4.737 1.00 0.90 N ATOM 1059 CA ARG A 57 7.440 6.469 4.709 1.00 1.15 C ATOM 1060 C ARG A 57 8.234 5.430 3.908 1.00 1.21 C ATOM 1061 O ARG A 57 9.119 5.782 3.128 1.00 1.44 O ATOM 1062 CB ARG A 57 7.947 6.537 6.145 1.00 1.31 C ATOM 1063 CG ARG A 57 7.650 5.270 6.925 1.00 1.31 C ATOM 1064 CD ARG A 57 7.898 5.446 8.414 1.00 1.43 C ATOM 1065 NE ARG A 57 6.860 6.252 9.054 1.00 1.97 N ATOM 1066 CZ ARG A 57 7.038 6.932 10.186 1.00 2.54 C ATOM 1067 NH1 ARG A 57 8.229 6.971 10.766 1.00 2.69 N ATOM 1068 NH2 ARG A 57 6.031 7.598 10.730 1.00 3.47 N ATOM 0 H ARG A 57 5.679 5.900 5.664 1.00 0.90 H new ATOM 0 HA ARG A 57 7.579 7.431 4.216 1.00 1.15 H new ATOM 0 HB2 ARG A 57 9.023 6.713 6.139 1.00 1.31 H new ATOM 0 HB3 ARG A 57 7.488 7.387 6.650 1.00 1.31 H new ATOM 0 HG2 ARG A 57 6.612 4.979 6.762 1.00 1.31 H new ATOM 0 HG3 ARG A 57 8.271 4.458 6.548 1.00 1.31 H new ATOM 0 HD2 ARG A 57 7.942 4.467 8.892 1.00 1.43 H new ATOM 0 HD3 ARG A 57 8.868 5.919 8.566 1.00 1.43 H new ATOM 0 HE ARG A 57 5.944 6.297 8.607 1.00 1.97 H new ATOM 0 HH11 ARG A 57 9.017 6.478 10.346 1.00 2.69 H new ATOM 0 HH12 ARG A 57 8.357 7.494 11.632 1.00 2.69 H new ATOM 0 HH21 ARG A 57 5.114 7.592 10.282 1.00 3.47 H new ATOM 0 HH22 ARG A 57 6.172 8.117 11.597 1.00 3.47 H new ATOM 1082 N ALA A 58 7.911 4.153 4.101 1.00 1.14 N ATOM 1083 CA ALA A 58 8.634 3.077 3.439 1.00 1.28 C ATOM 1084 C ALA A 58 7.749 1.851 3.224 1.00 1.15 C ATOM 1085 O ALA A 58 7.636 0.990 4.098 1.00 1.52 O ATOM 1086 CB ALA A 58 9.876 2.702 4.235 1.00 1.91 C ATOM 0 H ALA A 58 7.154 3.842 4.710 1.00 1.14 H new ATOM 0 HA ALA A 58 8.939 3.440 2.458 1.00 1.28 H new ATOM 0 HB1 ALA A 58 10.405 1.896 3.726 1.00 1.91 H new ATOM 0 HB2 ALA A 58 10.530 3.570 4.318 1.00 1.91 H new ATOM 0 HB3 ALA A 58 9.583 2.371 5.232 1.00 1.91 H new ATOM 1092 N ALA A 59 7.081 1.817 2.079 1.00 1.24 N ATOM 1093 CA ALA A 59 6.327 0.640 1.645 1.00 1.70 C ATOM 1094 C ALA A 59 7.236 -0.587 1.506 1.00 1.52 C ATOM 1095 O ALA A 59 8.202 -0.566 0.743 1.00 1.54 O ATOM 1096 CB ALA A 59 5.634 0.936 0.323 1.00 2.43 C ATOM 0 H ALA A 59 7.044 2.599 1.425 1.00 1.24 H new ATOM 0 HA ALA A 59 5.579 0.413 2.405 1.00 1.70 H new ATOM 0 HB1 ALA A 59 5.073 0.058 0.002 1.00 2.43 H new ATOM 0 HB2 ALA A 59 4.951 1.776 0.450 1.00 2.43 H new ATOM 0 HB3 ALA A 59 6.380 1.186 -0.431 1.00 2.43 H new ATOM 1102 N ALA A 60 6.913 -1.653 2.241 1.00 1.85 N ATOM 1103 CA ALA A 60 7.746 -2.857 2.256 1.00 1.85 C ATOM 1104 C ALA A 60 6.937 -4.123 2.553 1.00 2.49 C ATOM 1105 O ALA A 60 7.489 -5.124 3.010 1.00 3.18 O ATOM 1106 CB ALA A 60 8.848 -2.691 3.291 1.00 2.34 C ATOM 0 H ALA A 60 6.083 -1.707 2.832 1.00 1.85 H new ATOM 0 HA ALA A 60 8.175 -2.978 1.261 1.00 1.85 H new ATOM 0 HB1 ALA A 60 9.471 -3.585 3.306 1.00 2.34 H new ATOM 0 HB2 ALA A 60 9.460 -1.826 3.035 1.00 2.34 H new ATOM 0 HB3 ALA A 60 8.404 -2.542 4.275 1.00 2.34 H new ATOM 1112 N LEU A 61 5.634 -4.101 2.275 1.00 2.99 N ATOM 1113 CA LEU A 61 4.787 -5.241 2.608 1.00 4.03 C ATOM 1114 C LEU A 61 4.502 -6.134 1.400 1.00 4.34 C ATOM 1115 O LEU A 61 3.784 -5.761 0.473 1.00 4.63 O ATOM 1116 CB LEU A 61 3.480 -4.795 3.266 1.00 5.03 C ATOM 1117 CG LEU A 61 3.623 -4.283 4.704 1.00 5.72 C ATOM 1118 CD1 LEU A 61 2.257 -4.059 5.334 1.00 6.55 C ATOM 1119 CD2 LEU A 61 4.434 -5.259 5.541 1.00 6.16 C ATOM 0 H LEU A 61 5.151 -3.321 1.829 1.00 2.99 H new ATOM 0 HA LEU A 61 5.349 -5.838 3.326 1.00 4.03 H new ATOM 0 HB2 LEU A 61 3.034 -4.008 2.658 1.00 5.03 H new ATOM 0 HB3 LEU A 61 2.784 -5.633 3.262 1.00 5.03 H new ATOM 0 HG LEU A 61 4.150 -3.329 4.673 1.00 5.72 H new ATOM 0 HD11 LEU A 61 2.382 -3.696 6.354 1.00 6.55 H new ATOM 0 HD12 LEU A 61 1.704 -3.322 4.752 1.00 6.55 H new ATOM 0 HD13 LEU A 61 1.705 -4.999 5.348 1.00 6.55 H new ATOM 0 HD21 LEU A 61 4.525 -4.878 6.558 1.00 6.16 H new ATOM 0 HD22 LEU A 61 3.933 -6.227 5.559 1.00 6.16 H new ATOM 0 HD23 LEU A 61 5.427 -5.373 5.107 1.00 6.16 H new ATOM 1131 N SER A 62 5.067 -7.329 1.464 1.00 4.74 N ATOM 1132 CA SER A 62 4.927 -8.358 0.444 1.00 5.35 C ATOM 1133 C SER A 62 5.208 -9.697 1.104 1.00 5.02 C ATOM 1134 O SER A 62 4.354 -10.577 1.159 1.00 5.49 O ATOM 1135 CB SER A 62 5.925 -8.130 -0.703 1.00 6.13 C ATOM 1136 OG SER A 62 5.742 -6.866 -1.318 1.00 6.82 O ATOM 0 H SER A 62 5.652 -7.619 2.248 1.00 4.74 H new ATOM 0 HA SER A 62 3.922 -8.330 0.024 1.00 5.35 H new ATOM 0 HB2 SER A 62 6.943 -8.203 -0.319 1.00 6.13 H new ATOM 0 HB3 SER A 62 5.808 -8.917 -1.448 1.00 6.13 H new ATOM 0 HG SER A 62 6.395 -6.756 -2.041 1.00 6.82 H new ATOM 1142 N SER A 63 6.421 -9.762 1.636 1.00 4.58 N ATOM 1143 CA SER A 63 7.012 -10.895 2.345 1.00 4.63 C ATOM 1144 C SER A 63 8.501 -10.681 2.240 1.00 4.13 C ATOM 1145 O SER A 63 9.268 -10.871 3.184 1.00 4.53 O ATOM 1146 CB SER A 63 6.642 -12.262 1.744 1.00 5.39 C ATOM 1147 OG SER A 63 5.343 -12.670 2.143 1.00 6.30 O ATOM 0 H SER A 63 7.064 -8.972 1.581 1.00 4.58 H new ATOM 0 HA SER A 63 6.641 -10.926 3.369 1.00 4.63 H new ATOM 0 HB2 SER A 63 6.690 -12.208 0.656 1.00 5.39 H new ATOM 0 HB3 SER A 63 7.372 -13.008 2.058 1.00 5.39 H new ATOM 0 HG SER A 63 4.672 -12.174 1.629 1.00 6.30 H new ATOM 1153 N ASP A 64 8.871 -10.227 1.057 1.00 3.70 N ATOM 1154 CA ASP A 64 10.206 -9.762 0.768 1.00 3.78 C ATOM 1155 C ASP A 64 10.257 -8.255 0.920 1.00 3.64 C ATOM 1156 O ASP A 64 9.776 -7.518 0.060 1.00 4.24 O ATOM 1157 CB ASP A 64 10.592 -10.156 -0.651 1.00 4.76 C ATOM 1158 CG ASP A 64 11.069 -11.590 -0.739 1.00 5.44 C ATOM 1159 OD1 ASP A 64 12.231 -11.864 -0.379 1.00 5.89 O ATOM 1160 OD2 ASP A 64 10.280 -12.452 -1.179 1.00 5.83 O ATOM 0 H ASP A 64 8.238 -10.172 0.259 1.00 3.70 H new ATOM 0 HA ASP A 64 10.910 -10.218 1.464 1.00 3.78 H new ATOM 0 HB2 ASP A 64 9.734 -10.020 -1.310 1.00 4.76 H new ATOM 0 HB3 ASP A 64 11.378 -9.491 -1.009 1.00 4.76 H new ATOM 1165 N VAL A 65 10.789 -7.808 2.048 1.00 3.46 N ATOM 1166 CA VAL A 65 10.966 -6.385 2.301 1.00 4.03 C ATOM 1167 C VAL A 65 11.972 -5.812 1.312 1.00 4.57 C ATOM 1168 O VAL A 65 11.618 -5.106 0.371 1.00 5.28 O ATOM 1169 CB VAL A 65 11.487 -6.148 3.725 1.00 4.22 C ATOM 1170 CG1 VAL A 65 11.600 -4.664 4.032 1.00 5.28 C ATOM 1171 CG2 VAL A 65 10.606 -6.845 4.750 1.00 4.30 C ATOM 0 H VAL A 65 11.107 -8.413 2.806 1.00 3.46 H new ATOM 0 HA VAL A 65 10.000 -5.894 2.186 1.00 4.03 H new ATOM 0 HB VAL A 65 12.486 -6.579 3.786 1.00 4.22 H new ATOM 0 HG11 VAL A 65 11.972 -4.530 5.048 1.00 5.28 H new ATOM 0 HG12 VAL A 65 12.290 -4.198 3.329 1.00 5.28 H new ATOM 0 HG13 VAL A 65 10.619 -4.198 3.940 1.00 5.28 H new ATOM 0 HG21 VAL A 65 10.997 -6.661 5.751 1.00 4.30 H new ATOM 0 HG22 VAL A 65 9.590 -6.457 4.680 1.00 4.30 H new ATOM 0 HG23 VAL A 65 10.599 -7.917 4.554 1.00 4.30 H new ATOM 1181 N ILE A 66 13.235 -6.133 1.551 1.00 4.67 N ATOM 1182 CA ILE A 66 14.302 -5.822 0.616 1.00 5.63 C ATOM 1183 C ILE A 66 14.802 -7.137 0.025 1.00 5.81 C ATOM 1184 O ILE A 66 15.693 -7.175 -0.826 1.00 6.55 O ATOM 1185 CB ILE A 66 15.460 -5.060 1.312 1.00 6.56 C ATOM 1186 CG1 ILE A 66 14.900 -3.895 2.138 1.00 6.73 C ATOM 1187 CG2 ILE A 66 16.464 -4.541 0.286 1.00 7.45 C ATOM 1188 CD1 ILE A 66 15.952 -3.134 2.918 1.00 7.56 C ATOM 0 H ILE A 66 13.546 -6.614 2.395 1.00 4.67 H new ATOM 0 HA ILE A 66 13.923 -5.170 -0.171 1.00 5.63 H new ATOM 0 HB ILE A 66 15.977 -5.753 1.976 1.00 6.56 H new ATOM 0 HG12 ILE A 66 14.386 -3.204 1.471 1.00 6.73 H new ATOM 0 HG13 ILE A 66 14.155 -4.281 2.833 1.00 6.73 H new ATOM 0 HG21 ILE A 66 17.266 -4.010 0.798 1.00 7.45 H new ATOM 0 HG22 ILE A 66 16.881 -5.380 -0.271 1.00 7.45 H new ATOM 0 HG23 ILE A 66 15.962 -3.862 -0.403 1.00 7.45 H new ATOM 0 HD11 ILE A 66 15.478 -2.326 3.476 1.00 7.56 H new ATOM 0 HD12 ILE A 66 16.451 -3.811 3.612 1.00 7.56 H new ATOM 0 HD13 ILE A 66 16.685 -2.717 2.228 1.00 7.56 H new ATOM 1200 N SER A 67 14.168 -8.211 0.497 1.00 5.44 N ATOM 1201 CA SER A 67 14.444 -9.569 0.072 1.00 5.98 C ATOM 1202 C SER A 67 15.824 -10.038 0.528 1.00 7.11 C ATOM 1203 O SER A 67 15.925 -10.865 1.433 1.00 7.59 O ATOM 1204 CB SER A 67 14.272 -9.673 -1.434 1.00 6.10 C ATOM 1205 OG SER A 67 14.417 -11.011 -1.882 1.00 6.60 O ATOM 0 H SER A 67 13.433 -8.151 1.201 1.00 5.44 H new ATOM 0 HA SER A 67 13.728 -10.239 0.549 1.00 5.98 H new ATOM 0 HB2 SER A 67 13.288 -9.298 -1.716 1.00 6.10 H new ATOM 0 HB3 SER A 67 15.008 -9.040 -1.930 1.00 6.10 H new ATOM 0 HG SER A 67 13.723 -11.570 -1.474 1.00 6.60 H new ATOM 1211 N ALA A 68 16.879 -9.499 -0.077 1.00 7.74 N ATOM 1212 CA ALA A 68 18.242 -9.869 0.282 1.00 8.91 C ATOM 1213 C ALA A 68 18.530 -9.512 1.730 1.00 9.09 C ATOM 1214 O ALA A 68 18.442 -8.342 2.111 1.00 8.87 O ATOM 1215 CB ALA A 68 19.236 -9.177 -0.639 1.00 9.69 C ATOM 0 H ALA A 68 16.814 -8.803 -0.820 1.00 7.74 H new ATOM 0 HA ALA A 68 18.348 -10.948 0.166 1.00 8.91 H new ATOM 0 HB1 ALA A 68 20.250 -9.462 -0.360 1.00 9.69 H new ATOM 0 HB2 ALA A 68 19.046 -9.476 -1.670 1.00 9.69 H new ATOM 0 HB3 ALA A 68 19.125 -8.096 -0.548 1.00 9.69 H new ATOM 1221 N LEU A 69 18.846 -10.534 2.530 1.00 9.69 N ATOM 1222 CA LEU A 69 19.191 -10.379 3.949 1.00 10.15 C ATOM 1223 C LEU A 69 17.966 -10.023 4.793 1.00 9.38 C ATOM 1224 O LEU A 69 17.712 -10.648 5.828 1.00 9.52 O ATOM 1225 CB LEU A 69 20.282 -9.319 4.131 1.00 10.80 C ATOM 1226 CG LEU A 69 21.541 -9.531 3.287 1.00 11.70 C ATOM 1227 CD1 LEU A 69 22.523 -8.392 3.502 1.00 12.35 C ATOM 1228 CD2 LEU A 69 22.195 -10.861 3.628 1.00 12.59 C ATOM 0 H LEU A 69 18.870 -11.502 2.209 1.00 9.69 H new ATOM 0 HA LEU A 69 19.571 -11.340 4.296 1.00 10.15 H new ATOM 0 HB2 LEU A 69 19.862 -8.343 3.890 1.00 10.80 H new ATOM 0 HB3 LEU A 69 20.569 -9.292 5.182 1.00 10.80 H new ATOM 0 HG LEU A 69 21.250 -9.547 2.237 1.00 11.70 H new ATOM 0 HD11 LEU A 69 23.412 -8.559 2.894 1.00 12.35 H new ATOM 0 HD12 LEU A 69 22.057 -7.450 3.212 1.00 12.35 H new ATOM 0 HD13 LEU A 69 22.805 -8.349 4.554 1.00 12.35 H new ATOM 0 HD21 LEU A 69 23.088 -10.994 3.018 1.00 12.59 H new ATOM 0 HD22 LEU A 69 22.471 -10.871 4.682 1.00 12.59 H new ATOM 0 HD23 LEU A 69 21.495 -11.672 3.428 1.00 12.59 H new ATOM 1240 N SER A 70 17.225 -9.011 4.339 1.00 8.79 N ATOM 1241 CA SER A 70 16.031 -8.513 5.014 1.00 8.22 C ATOM 1242 C SER A 70 16.401 -7.782 6.305 1.00 8.84 C ATOM 1243 O SER A 70 17.439 -8.060 6.914 1.00 8.93 O ATOM 1244 CB SER A 70 15.040 -9.648 5.293 1.00 8.19 C ATOM 1245 OG SER A 70 13.769 -9.139 5.654 1.00 7.74 O ATOM 0 H SER A 70 17.443 -8.508 3.479 1.00 8.79 H new ATOM 0 HA SER A 70 15.543 -7.801 4.349 1.00 8.22 H new ATOM 0 HB2 SER A 70 14.945 -10.277 4.408 1.00 8.19 H new ATOM 0 HB3 SER A 70 15.423 -10.280 6.094 1.00 8.19 H new ATOM 0 HG SER A 70 13.155 -9.883 5.825 1.00 7.74 H new ATOM 1251 N SER A 71 15.557 -6.828 6.698 1.00 9.47 N ATOM 1252 CA SER A 71 15.798 -6.014 7.887 1.00 10.26 C ATOM 1253 C SER A 71 17.181 -5.360 7.828 1.00 10.85 C ATOM 1254 O SER A 71 17.866 -5.231 8.843 1.00 11.64 O ATOM 1255 CB SER A 71 15.667 -6.877 9.149 1.00 11.01 C ATOM 1256 OG SER A 71 14.383 -7.490 9.220 1.00 11.01 O ATOM 0 H SER A 71 14.694 -6.600 6.205 1.00 9.47 H new ATOM 0 HA SER A 71 15.051 -5.221 7.921 1.00 10.26 H new ATOM 0 HB2 SER A 71 16.441 -7.645 9.150 1.00 11.01 H new ATOM 0 HB3 SER A 71 15.829 -6.261 10.033 1.00 11.01 H new ATOM 0 HG SER A 71 14.325 -8.036 10.032 1.00 11.01 H new ATOM 1262 N GLN A 72 17.574 -4.938 6.628 1.00 10.63 N ATOM 1263 CA GLN A 72 18.898 -4.373 6.404 1.00 11.35 C ATOM 1264 C GLN A 72 19.092 -3.082 7.183 1.00 12.08 C ATOM 1265 O GLN A 72 18.426 -2.076 6.922 1.00 12.07 O ATOM 1266 CB GLN A 72 19.129 -4.107 4.916 1.00 11.11 C ATOM 1267 CG GLN A 72 19.107 -5.355 4.052 1.00 10.22 C ATOM 1268 CD GLN A 72 19.505 -5.063 2.617 1.00 10.42 C ATOM 1269 OE1 GLN A 72 19.290 -3.962 2.113 1.00 10.46 O ATOM 1270 NE2 GLN A 72 20.077 -6.049 1.948 1.00 10.77 N ATOM 0 H GLN A 72 16.989 -4.978 5.793 1.00 10.63 H new ATOM 0 HA GLN A 72 19.624 -5.105 6.758 1.00 11.35 H new ATOM 0 HB2 GLN A 72 18.365 -3.417 4.558 1.00 11.11 H new ATOM 0 HB3 GLN A 72 20.091 -3.609 4.792 1.00 11.11 H new ATOM 0 HG2 GLN A 72 19.785 -6.098 4.472 1.00 10.22 H new ATOM 0 HG3 GLN A 72 18.108 -5.790 4.069 1.00 10.22 H new ATOM 0 HE21 GLN A 72 20.238 -6.948 2.403 1.00 10.77 H new ATOM 0 HE22 GLN A 72 20.358 -5.911 0.977 1.00 10.77 H new ATOM 1279 N LYS A 73 19.991 -3.124 8.148 1.00 12.85 N ATOM 1280 CA LYS A 73 20.381 -1.938 8.875 1.00 13.68 C ATOM 1281 C LYS A 73 21.406 -1.158 8.059 1.00 14.18 C ATOM 1282 O LYS A 73 22.438 -1.700 7.650 1.00 14.47 O ATOM 1283 CB LYS A 73 20.942 -2.292 10.265 1.00 14.41 C ATOM 1284 CG LYS A 73 22.145 -3.233 10.255 1.00 14.85 C ATOM 1285 CD LYS A 73 21.736 -4.682 10.045 1.00 14.25 C ATOM 1286 CE LYS A 73 22.947 -5.596 9.961 1.00 14.52 C ATOM 1287 NZ LYS A 73 22.557 -7.021 9.807 1.00 14.92 N ATOM 0 H LYS A 73 20.467 -3.976 8.446 1.00 12.85 H new ATOM 0 HA LYS A 73 19.499 -1.317 9.031 1.00 13.68 H new ATOM 0 HB2 LYS A 73 21.226 -1.369 10.771 1.00 14.41 H new ATOM 0 HB3 LYS A 73 20.148 -2.748 10.855 1.00 14.41 H new ATOM 0 HG2 LYS A 73 22.833 -2.933 9.465 1.00 14.85 H new ATOM 0 HG3 LYS A 73 22.684 -3.142 11.198 1.00 14.85 H new ATOM 0 HD2 LYS A 73 21.093 -5.002 10.865 1.00 14.25 H new ATOM 0 HD3 LYS A 73 21.151 -4.767 9.129 1.00 14.25 H new ATOM 0 HE2 LYS A 73 23.569 -5.297 9.118 1.00 14.52 H new ATOM 0 HE3 LYS A 73 23.552 -5.480 10.860 1.00 14.52 H new ATOM 0 HZ1 LYS A 73 23.412 -7.611 9.754 1.00 14.92 H new ATOM 0 HZ2 LYS A 73 21.984 -7.314 10.624 1.00 14.92 H new ATOM 0 HZ3 LYS A 73 22.001 -7.137 8.935 1.00 14.92 H new ATOM 1301 N LYS A 74 21.102 0.099 7.794 1.00 14.42 N ATOM 1302 CA LYS A 74 21.956 0.933 6.965 1.00 15.05 C ATOM 1303 C LYS A 74 22.287 2.226 7.695 1.00 16.04 C ATOM 1304 O LYS A 74 23.459 2.409 8.075 1.00 16.42 O ATOM 1305 CB LYS A 74 21.266 1.229 5.631 1.00 14.62 C ATOM 1306 CG LYS A 74 20.944 -0.021 4.826 1.00 13.81 C ATOM 1307 CD LYS A 74 20.057 0.275 3.622 1.00 13.84 C ATOM 1308 CE LYS A 74 18.592 0.476 4.010 1.00 13.62 C ATOM 1309 NZ LYS A 74 18.363 1.733 4.773 1.00 13.67 N ATOM 1310 OXT LYS A 74 21.360 3.026 7.938 1.00 16.53 O ATOM 0 H LYS A 74 20.266 0.568 8.142 1.00 14.42 H new ATOM 0 HA LYS A 74 22.886 0.401 6.762 1.00 15.05 H new ATOM 0 HB2 LYS A 74 20.343 1.777 5.822 1.00 14.62 H new ATOM 0 HB3 LYS A 74 21.906 1.880 5.036 1.00 14.62 H new ATOM 0 HG2 LYS A 74 21.872 -0.480 4.486 1.00 13.81 H new ATOM 0 HG3 LYS A 74 20.447 -0.747 5.470 1.00 13.81 H new ATOM 0 HD2 LYS A 74 20.422 1.169 3.117 1.00 13.84 H new ATOM 0 HD3 LYS A 74 20.131 -0.546 2.909 1.00 13.84 H new ATOM 0 HE2 LYS A 74 17.981 0.488 3.108 1.00 13.62 H new ATOM 0 HE3 LYS A 74 18.260 -0.372 4.609 1.00 13.62 H new ATOM 0 HZ1 LYS A 74 17.423 2.113 4.542 1.00 13.67 H new ATOM 0 HZ2 LYS A 74 18.416 1.535 5.793 1.00 13.67 H new ATOM 0 HZ3 LYS A 74 19.090 2.431 4.518 1.00 13.67 H new TER 1324 LYS A 74