USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=17 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 : no HD1:sc= -9.29! C(o=-18!,f=-31!) USER MOD Set 1.2: A 39 HIS : no HD1:sc= -2.78! C(o=-18!,f=-20!) USER MOD Set 1.3: A 52 GLN : amide:sc= -6.31! K(o=-18!,f=-20) USER MOD Set 2.1: A 5 SER OG : rot 88:sc= 0.152 USER MOD Set 2.2: A 29 GLN : amide:sc= -3.07! C(o=-0.49!,f=-2.8!) USER MOD Set 2.3: A 31 LYS NZ :NH3+ 177:sc= 2.43 (180deg=2.31) USER MOD Single : A 1 MET CE :methyl 141:sc= -0.144 (180deg=-0.8) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0871) USER MOD Single : A 9 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.32) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,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=-0.0051) USER MOD Single : A -9 HIS N :NH3+ -111:sc= 0.0697 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -9.64! C(o=-9.6!,f=-4.8!) USER MOD Single : A 21 LYS NZ :NH3+ -132:sc= -1.47 (180deg=-6.44!) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0.607 (180deg=0.602) USER MOD Single : A 43 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-6.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.9 USER MOD Single : A 55 ASN : amide:sc= -7.9! C(o=-7.9!,f=-8.3!) USER MOD Single : A 56 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.8!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 70:sc= 1.25 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -1.84 K(o=-1.8,f=-4.5!) USER MOD Single : A 73 LYS NZ :NH3+ 166:sc= -0.0106 (180deg=-0.215) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -9 15.656 13.925 -21.050 1.00 10.50 N ATOM 2 CA HIS A -9 16.165 14.482 -19.775 1.00 10.47 C ATOM 3 C HIS A -9 16.176 13.387 -18.708 1.00 9.92 C ATOM 4 O HIS A -9 15.362 12.466 -18.751 1.00 9.95 O ATOM 5 CB HIS A -9 15.279 15.654 -19.328 1.00 10.88 C ATOM 6 CG HIS A -9 15.839 16.441 -18.181 1.00 11.33 C ATOM 7 ND1 HIS A -9 15.257 16.472 -16.932 1.00 11.58 N ATOM 8 CD2 HIS A -9 16.926 17.244 -18.104 1.00 11.79 C ATOM 9 CE1 HIS A -9 15.965 17.256 -16.140 1.00 12.14 C ATOM 10 NE2 HIS A -9 16.980 17.738 -16.824 1.00 12.26 N ATOM 0 H1 HIS A -9 16.430 13.881 -21.743 1.00 10.50 H new ATOM 0 H2 HIS A -9 15.283 12.968 -20.886 1.00 10.50 H new ATOM 0 H3 HIS A -9 14.897 14.534 -21.417 1.00 10.50 H new ATOM 0 HA HIS A -9 17.182 14.848 -19.918 1.00 10.47 H new ATOM 0 HB2 HIS A -9 15.126 16.324 -20.174 1.00 10.88 H new ATOM 0 HB3 HIS A -9 14.299 15.268 -19.046 1.00 10.88 H new ATOM 0 HD2 HIS A -9 17.622 17.457 -18.902 1.00 11.79 H new ATOM 0 HE1 HIS A -9 15.747 17.466 -15.103 1.00 12.14 H new ATOM 0 HE2 HIS A -9 17.691 18.374 -16.463 1.00 12.26 H new ATOM 19 N SER A -8 17.105 13.475 -17.765 1.00 9.64 N ATOM 20 CA SER A -8 17.247 12.448 -16.743 1.00 9.30 C ATOM 21 C SER A -8 16.847 12.962 -15.360 1.00 8.71 C ATOM 22 O SER A -8 16.672 14.168 -15.161 1.00 8.43 O ATOM 23 CB SER A -8 18.690 11.950 -16.716 1.00 9.57 C ATOM 24 OG SER A -8 19.102 11.532 -18.007 1.00 9.77 O ATOM 0 H SER A -8 17.769 14.245 -17.687 1.00 9.64 H new ATOM 0 HA SER A -8 16.575 11.628 -16.996 1.00 9.30 H new ATOM 0 HB2 SER A -8 19.347 12.743 -16.359 1.00 9.57 H new ATOM 0 HB3 SER A -8 18.780 11.121 -16.014 1.00 9.57 H new ATOM 0 HG SER A -8 20.030 11.218 -17.969 1.00 9.77 H new ATOM 30 N SER A -7 16.675 12.026 -14.423 1.00 8.68 N ATOM 31 CA SER A -7 16.371 12.330 -13.022 1.00 8.25 C ATOM 32 C SER A -7 15.060 13.100 -12.865 1.00 7.71 C ATOM 33 O SER A -7 14.817 13.736 -11.837 1.00 7.67 O ATOM 34 CB SER A -7 17.537 13.089 -12.382 1.00 9.17 C ATOM 35 OG SER A -7 18.705 12.280 -12.359 1.00 9.57 O ATOM 0 H SER A -7 16.743 11.027 -14.617 1.00 8.68 H new ATOM 0 HA SER A -7 16.238 11.382 -12.501 1.00 8.25 H new ATOM 0 HB2 SER A -7 17.733 14.005 -12.940 1.00 9.17 H new ATOM 0 HB3 SER A -7 17.272 13.385 -11.367 1.00 9.17 H new ATOM 0 HG SER A -7 19.441 12.780 -11.949 1.00 9.57 H new ATOM 41 N GLY A -6 14.209 13.018 -13.877 1.00 7.61 N ATOM 42 CA GLY A -6 12.870 13.548 -13.756 1.00 7.37 C ATOM 43 C GLY A -6 11.949 12.525 -13.134 1.00 6.38 C ATOM 44 O GLY A -6 10.772 12.788 -12.893 1.00 6.33 O ATOM 0 H GLY A -6 14.423 12.594 -14.779 1.00 7.61 H new ATOM 0 HA2 GLY A -6 12.884 14.451 -13.146 1.00 7.37 H new ATOM 0 HA3 GLY A -6 12.495 13.833 -14.739 1.00 7.37 H new ATOM 48 N HIS A -5 12.507 11.349 -12.876 1.00 5.88 N ATOM 49 CA HIS A -5 11.782 10.276 -12.232 1.00 5.12 C ATOM 50 C HIS A -5 11.719 10.547 -10.741 1.00 4.42 C ATOM 51 O HIS A -5 12.714 10.396 -10.033 1.00 4.55 O ATOM 52 CB HIS A -5 12.478 8.935 -12.505 1.00 5.41 C ATOM 53 CG HIS A -5 11.753 7.745 -11.948 1.00 5.17 C ATOM 54 ND1 HIS A -5 10.740 7.100 -12.624 1.00 5.51 N ATOM 55 CD2 HIS A -5 11.902 7.080 -10.780 1.00 5.06 C ATOM 56 CE1 HIS A -5 10.297 6.093 -11.898 1.00 5.66 C ATOM 57 NE2 HIS A -5 10.984 6.060 -10.772 1.00 5.36 N ATOM 0 H HIS A -5 13.473 11.119 -13.109 1.00 5.88 H new ATOM 0 HA HIS A -5 10.769 10.224 -12.631 1.00 5.12 H new ATOM 0 HB2 HIS A -5 12.589 8.808 -13.582 1.00 5.41 H new ATOM 0 HB3 HIS A -5 13.482 8.966 -12.082 1.00 5.41 H new ATOM 0 HD2 HIS A -5 12.612 7.309 -9.999 1.00 5.06 H new ATOM 0 HE1 HIS A -5 9.507 5.412 -12.177 1.00 5.66 H new ATOM 0 HE2 HIS A -5 10.854 5.386 -10.018 1.00 5.36 H new ATOM 66 N ILE A -4 10.560 10.965 -10.271 1.00 4.01 N ATOM 67 CA ILE A -4 10.395 11.276 -8.867 1.00 3.41 C ATOM 68 C ILE A -4 9.893 10.055 -8.111 1.00 2.79 C ATOM 69 O ILE A -4 8.836 9.507 -8.417 1.00 3.10 O ATOM 70 CB ILE A -4 9.452 12.489 -8.610 1.00 3.87 C ATOM 71 CG1 ILE A -4 8.038 12.266 -9.182 1.00 3.82 C ATOM 72 CG2 ILE A -4 10.065 13.761 -9.181 1.00 4.31 C ATOM 73 CD1 ILE A -4 7.944 12.363 -10.690 1.00 4.25 C ATOM 0 H ILE A -4 9.723 11.096 -10.839 1.00 4.01 H new ATOM 0 HA ILE A -4 11.380 11.562 -8.498 1.00 3.41 H new ATOM 0 HB ILE A -4 9.345 12.594 -7.530 1.00 3.87 H new ATOM 0 HG12 ILE A -4 7.686 11.282 -8.872 1.00 3.82 H new ATOM 0 HG13 ILE A -4 7.363 12.999 -8.741 1.00 3.82 H new ATOM 0 HG21 ILE A -4 9.397 14.602 -8.995 1.00 4.31 H new ATOM 0 HG22 ILE A -4 11.026 13.948 -8.702 1.00 4.31 H new ATOM 0 HG23 ILE A -4 10.211 13.644 -10.255 1.00 4.31 H new ATOM 0 HD11 ILE A -4 6.914 12.193 -11.002 1.00 4.25 H new ATOM 0 HD12 ILE A -4 8.261 13.355 -11.011 1.00 4.25 H new ATOM 0 HD13 ILE A -4 8.590 11.611 -11.144 1.00 4.25 H new ATOM 85 N GLU A -3 10.679 9.612 -7.147 1.00 2.65 N ATOM 86 CA GLU A -3 10.295 8.488 -6.310 1.00 2.74 C ATOM 87 C GLU A -3 9.504 8.981 -5.107 1.00 2.04 C ATOM 88 O GLU A -3 9.358 8.279 -4.104 1.00 2.60 O ATOM 89 CB GLU A -3 11.532 7.707 -5.862 1.00 3.81 C ATOM 90 CG GLU A -3 12.331 7.113 -7.013 1.00 4.47 C ATOM 91 CD GLU A -3 13.498 6.285 -6.528 1.00 5.44 C ATOM 92 OE1 GLU A -3 14.582 6.857 -6.293 1.00 6.04 O ATOM 93 OE2 GLU A -3 13.336 5.056 -6.371 1.00 5.87 O ATOM 0 H GLU A -3 11.589 10.014 -6.923 1.00 2.65 H new ATOM 0 HA GLU A -3 9.662 7.816 -6.890 1.00 2.74 H new ATOM 0 HB2 GLU A -3 12.179 8.368 -5.285 1.00 3.81 H new ATOM 0 HB3 GLU A -3 11.221 6.903 -5.194 1.00 3.81 H new ATOM 0 HG2 GLU A -3 11.677 6.493 -7.626 1.00 4.47 H new ATOM 0 HG3 GLU A -3 12.698 7.917 -7.652 1.00 4.47 H new ATOM 100 N GLY A -2 8.978 10.194 -5.235 1.00 1.45 N ATOM 101 CA GLY A -2 8.099 10.754 -4.227 1.00 1.14 C ATOM 102 C GLY A -2 6.690 10.216 -4.360 1.00 1.05 C ATOM 103 O GLY A -2 5.717 10.966 -4.313 1.00 1.37 O ATOM 0 H GLY A -2 9.149 10.807 -6.032 1.00 1.45 H new ATOM 0 HA2 GLY A -2 8.486 10.522 -3.235 1.00 1.14 H new ATOM 0 HA3 GLY A -2 8.085 11.840 -4.317 1.00 1.14 H new ATOM 107 N ARG A -1 6.596 8.911 -4.563 1.00 0.82 N ATOM 108 CA ARG A -1 5.327 8.213 -4.608 1.00 0.69 C ATOM 109 C ARG A -1 5.441 6.982 -3.719 1.00 0.61 C ATOM 110 O ARG A -1 6.505 6.364 -3.654 1.00 0.73 O ATOM 111 CB ARG A -1 4.978 7.804 -6.052 1.00 0.76 C ATOM 112 CG ARG A -1 5.627 6.502 -6.514 1.00 0.86 C ATOM 113 CD ARG A -1 5.479 6.276 -8.014 1.00 1.44 C ATOM 114 NE ARG A -1 4.147 6.617 -8.508 1.00 1.94 N ATOM 115 CZ ARG A -1 3.277 5.738 -9.012 1.00 2.72 C ATOM 116 NH1 ARG A -1 3.559 4.439 -9.045 1.00 3.04 N ATOM 117 NH2 ARG A -1 2.121 6.166 -9.494 1.00 3.51 N ATOM 0 H ARG A -1 7.405 8.305 -4.702 1.00 0.82 H new ATOM 0 HA ARG A -1 4.529 8.865 -4.253 1.00 0.69 H new ATOM 0 HB2 ARG A -1 3.896 7.706 -6.137 1.00 0.76 H new ATOM 0 HB3 ARG A -1 5.280 8.605 -6.726 1.00 0.76 H new ATOM 0 HG2 ARG A -1 6.686 6.516 -6.255 1.00 0.86 H new ATOM 0 HG3 ARG A -1 5.178 5.666 -5.978 1.00 0.86 H new ATOM 0 HD2 ARG A -1 6.222 6.874 -8.542 1.00 1.44 H new ATOM 0 HD3 ARG A -1 5.690 5.231 -8.242 1.00 1.44 H new ATOM 0 HE ARG A -1 3.861 7.595 -8.465 1.00 1.94 H new ATOM 0 HH11 ARG A -1 4.450 4.101 -8.682 1.00 3.04 H new ATOM 0 HH12 ARG A -1 2.884 3.780 -9.433 1.00 3.04 H new ATOM 0 HH21 ARG A -1 1.899 7.162 -9.479 1.00 3.51 H new ATOM 0 HH22 ARG A -1 1.452 5.500 -9.880 1.00 3.51 H new ATOM 131 N HIS A 0 4.384 6.640 -3.006 1.00 0.50 N ATOM 132 CA HIS A 0 4.417 5.433 -2.196 1.00 0.53 C ATOM 133 C HIS A 0 3.471 4.391 -2.784 1.00 0.44 C ATOM 134 O HIS A 0 2.308 4.679 -3.056 1.00 0.41 O ATOM 135 CB HIS A 0 4.114 5.710 -0.698 1.00 0.61 C ATOM 136 CG HIS A 0 2.777 6.330 -0.385 1.00 0.57 C ATOM 137 ND1 HIS A 0 2.618 7.371 0.508 1.00 0.79 N ATOM 138 CD2 HIS A 0 1.539 6.045 -0.831 1.00 0.51 C ATOM 139 CE1 HIS A 0 1.343 7.694 0.588 1.00 0.85 C ATOM 140 NE2 HIS A 0 0.664 6.906 -0.219 1.00 0.66 N ATOM 0 H HIS A 0 3.511 7.165 -2.969 1.00 0.50 H new ATOM 0 HA HIS A 0 5.433 5.039 -2.222 1.00 0.53 H new ATOM 0 HB2 HIS A 0 4.188 4.768 -0.155 1.00 0.61 H new ATOM 0 HB3 HIS A 0 4.893 6.365 -0.308 1.00 0.61 H new ATOM 0 HD2 HIS A 0 1.281 5.276 -1.544 1.00 0.51 H new ATOM 0 HE1 HIS A 0 0.926 8.473 1.210 1.00 0.85 H new ATOM 0 HE2 HIS A 0 -0.345 6.932 -0.365 1.00 0.66 H new ATOM 149 N MET A 1 3.994 3.211 -3.053 1.00 0.50 N ATOM 150 CA MET A 1 3.171 2.105 -3.515 1.00 0.47 C ATOM 151 C MET A 1 3.218 0.974 -2.504 1.00 0.43 C ATOM 152 O MET A 1 4.261 0.349 -2.312 1.00 0.51 O ATOM 153 CB MET A 1 3.648 1.613 -4.882 1.00 0.56 C ATOM 154 CG MET A 1 2.804 0.478 -5.443 1.00 0.56 C ATOM 155 SD MET A 1 3.385 -0.090 -7.053 1.00 0.67 S ATOM 156 CE MET A 1 5.050 -0.614 -6.641 1.00 1.75 C ATOM 0 H MET A 1 4.986 2.991 -2.960 1.00 0.50 H new ATOM 0 HA MET A 1 2.143 2.452 -3.617 1.00 0.47 H new ATOM 0 HB2 MET A 1 3.636 2.446 -5.584 1.00 0.56 H new ATOM 0 HB3 MET A 1 4.683 1.280 -4.800 1.00 0.56 H new ATOM 0 HG2 MET A 1 2.813 -0.357 -4.742 1.00 0.56 H new ATOM 0 HG3 MET A 1 1.769 0.809 -5.531 1.00 0.56 H new ATOM 0 HE1 MET A 1 5.290 -1.526 -7.187 1.00 1.75 H new ATOM 0 HE2 MET A 1 5.756 0.170 -6.915 1.00 1.75 H new ATOM 0 HE3 MET A 1 5.117 -0.804 -5.570 1.00 1.75 H new ATOM 166 N LEU A 2 2.097 0.717 -1.852 1.00 0.34 N ATOM 167 CA LEU A 2 2.047 -0.316 -0.834 1.00 0.32 C ATOM 168 C LEU A 2 1.120 -1.439 -1.275 1.00 0.30 C ATOM 169 O LEU A 2 -0.022 -1.196 -1.669 1.00 0.33 O ATOM 170 CB LEU A 2 1.591 0.278 0.500 1.00 0.33 C ATOM 171 CG LEU A 2 2.033 -0.504 1.759 1.00 0.38 C ATOM 172 CD1 LEU A 2 1.171 -1.737 1.978 1.00 0.36 C ATOM 173 CD2 LEU A 2 3.497 -0.915 1.664 1.00 0.50 C ATOM 0 H LEU A 2 1.216 1.206 -2.008 1.00 0.34 H new ATOM 0 HA LEU A 2 3.046 -0.730 -0.697 1.00 0.32 H new ATOM 0 HB2 LEU A 2 1.971 1.297 0.574 1.00 0.33 H new ATOM 0 HB3 LEU A 2 0.503 0.343 0.497 1.00 0.33 H new ATOM 0 HG LEU A 2 1.907 0.165 2.611 1.00 0.38 H new ATOM 0 HD11 LEU A 2 1.509 -2.263 2.871 1.00 0.36 H new ATOM 0 HD12 LEU A 2 0.131 -1.436 2.106 1.00 0.36 H new ATOM 0 HD13 LEU A 2 1.254 -2.397 1.115 1.00 0.36 H new ATOM 0 HD21 LEU A 2 3.780 -1.463 2.563 1.00 0.50 H new ATOM 0 HD22 LEU A 2 3.640 -1.551 0.791 1.00 0.50 H new ATOM 0 HD23 LEU A 2 4.119 -0.025 1.571 1.00 0.50 H new ATOM 185 N VAL A 3 1.621 -2.664 -1.212 1.00 0.42 N ATOM 186 CA VAL A 3 0.888 -3.815 -1.676 1.00 0.40 C ATOM 187 C VAL A 3 0.121 -4.509 -0.550 1.00 0.40 C ATOM 188 O VAL A 3 0.672 -4.821 0.506 1.00 0.52 O ATOM 189 CB VAL A 3 1.839 -4.818 -2.351 1.00 0.54 C ATOM 190 CG1 VAL A 3 2.284 -4.297 -3.709 1.00 1.03 C ATOM 191 CG2 VAL A 3 3.046 -5.114 -1.470 1.00 1.53 C ATOM 0 H VAL A 3 2.545 -2.880 -0.838 1.00 0.42 H new ATOM 0 HA VAL A 3 0.157 -3.456 -2.400 1.00 0.40 H new ATOM 0 HB VAL A 3 1.295 -5.751 -2.496 1.00 0.54 H new ATOM 0 HG11 VAL A 3 2.956 -5.019 -4.173 1.00 1.03 H new ATOM 0 HG12 VAL A 3 1.412 -4.151 -4.346 1.00 1.03 H new ATOM 0 HG13 VAL A 3 2.803 -3.347 -3.582 1.00 1.03 H new ATOM 0 HG21 VAL A 3 3.699 -5.826 -1.975 1.00 1.53 H new ATOM 0 HG22 VAL A 3 3.593 -4.191 -1.281 1.00 1.53 H new ATOM 0 HG23 VAL A 3 2.710 -5.538 -0.523 1.00 1.53 H new ATOM 201 N LEU A 4 -1.159 -4.734 -0.798 1.00 0.34 N ATOM 202 CA LEU A 4 -2.015 -5.498 0.095 1.00 0.41 C ATOM 203 C LEU A 4 -2.409 -6.809 -0.568 1.00 0.36 C ATOM 204 O LEU A 4 -2.766 -6.833 -1.743 1.00 0.32 O ATOM 205 CB LEU A 4 -3.289 -4.720 0.444 1.00 0.49 C ATOM 206 CG LEU A 4 -3.239 -3.866 1.715 1.00 0.96 C ATOM 207 CD1 LEU A 4 -4.630 -3.352 2.056 1.00 1.85 C ATOM 208 CD2 LEU A 4 -2.661 -4.652 2.881 1.00 1.66 C ATOM 0 H LEU A 4 -1.637 -4.389 -1.631 1.00 0.34 H new ATOM 0 HA LEU A 4 -1.456 -5.689 1.011 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -3.533 -4.069 -0.396 1.00 0.49 H new ATOM 0 HB3 LEU A 4 -4.108 -5.432 0.543 1.00 0.49 H new ATOM 0 HG LEU A 4 -2.584 -3.015 1.528 1.00 0.96 H new ATOM 0 HD11 LEU A 4 -4.582 -2.746 2.961 1.00 1.85 H new ATOM 0 HD12 LEU A 4 -5.006 -2.745 1.232 1.00 1.85 H new ATOM 0 HD13 LEU A 4 -5.300 -4.196 2.219 1.00 1.85 H new ATOM 0 HD21 LEU A 4 -2.638 -4.021 3.769 1.00 1.66 H new ATOM 0 HD22 LEU A 4 -3.282 -5.527 3.074 1.00 1.66 H new ATOM 0 HD23 LEU A 4 -1.648 -4.973 2.637 1.00 1.66 H new ATOM 220 N SER A 5 -2.389 -7.890 0.187 1.00 0.42 N ATOM 221 CA SER A 5 -2.680 -9.194 -0.376 1.00 0.43 C ATOM 222 C SER A 5 -4.177 -9.471 -0.359 1.00 0.43 C ATOM 223 O SER A 5 -4.772 -9.709 0.694 1.00 0.55 O ATOM 224 CB SER A 5 -1.935 -10.273 0.399 1.00 0.55 C ATOM 225 OG SER A 5 -0.546 -10.013 0.419 1.00 1.19 O ATOM 0 H SER A 5 -2.176 -7.892 1.185 1.00 0.42 H new ATOM 0 HA SER A 5 -2.345 -9.204 -1.413 1.00 0.43 H new ATOM 0 HB2 SER A 5 -2.315 -10.321 1.420 1.00 0.55 H new ATOM 0 HB3 SER A 5 -2.120 -11.246 -0.056 1.00 0.55 H new ATOM 0 HG SER A 5 -0.331 -9.443 1.187 1.00 1.19 H new ATOM 231 N ARG A 6 -4.778 -9.429 -1.538 1.00 0.37 N ATOM 232 CA ARG A 6 -6.205 -9.646 -1.687 1.00 0.42 C ATOM 233 C ARG A 6 -6.433 -10.327 -3.025 1.00 0.38 C ATOM 234 O ARG A 6 -6.175 -9.738 -4.078 1.00 0.37 O ATOM 235 CB ARG A 6 -6.958 -8.313 -1.631 1.00 0.50 C ATOM 236 CG ARG A 6 -8.466 -8.442 -1.444 1.00 0.96 C ATOM 237 CD ARG A 6 -8.869 -8.458 0.027 1.00 1.31 C ATOM 238 NE ARG A 6 -8.448 -9.677 0.715 1.00 1.92 N ATOM 239 CZ ARG A 6 -8.084 -9.725 1.997 1.00 2.57 C ATOM 240 NH1 ARG A 6 -8.065 -8.615 2.727 1.00 2.77 N ATOM 241 NH2 ARG A 6 -7.747 -10.887 2.545 1.00 3.50 N ATOM 0 H ARG A 6 -4.290 -9.244 -2.415 1.00 0.37 H new ATOM 0 HA ARG A 6 -6.579 -10.271 -0.876 1.00 0.42 H new ATOM 0 HB2 ARG A 6 -6.554 -7.717 -0.813 1.00 0.50 H new ATOM 0 HB3 ARG A 6 -6.765 -7.763 -2.552 1.00 0.50 H new ATOM 0 HG2 ARG A 6 -8.964 -7.612 -1.946 1.00 0.96 H new ATOM 0 HG3 ARG A 6 -8.812 -9.358 -1.923 1.00 0.96 H new ATOM 0 HD2 ARG A 6 -8.433 -7.594 0.528 1.00 1.31 H new ATOM 0 HD3 ARG A 6 -9.952 -8.358 0.104 1.00 1.31 H new ATOM 0 HE ARG A 6 -8.432 -10.546 0.181 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -8.329 -7.724 2.307 1.00 2.77 H new ATOM 0 HH12 ARG A 6 -7.786 -8.654 3.707 1.00 2.77 H new ATOM 0 HH21 ARG A 6 -7.767 -11.740 1.985 1.00 3.50 H new ATOM 0 HH22 ARG A 6 -7.468 -10.927 3.525 1.00 3.50 H new ATOM 255 N LYS A 7 -6.968 -11.531 -2.991 1.00 0.40 N ATOM 256 CA LYS A 7 -6.928 -12.405 -4.150 1.00 0.42 C ATOM 257 C LYS A 7 -8.283 -12.453 -4.832 1.00 0.45 C ATOM 258 O LYS A 7 -9.037 -13.412 -4.698 1.00 0.61 O ATOM 259 CB LYS A 7 -6.451 -13.809 -3.749 1.00 0.47 C ATOM 260 CG LYS A 7 -5.105 -13.806 -3.026 1.00 0.64 C ATOM 261 CD LYS A 7 -5.258 -13.577 -1.523 1.00 0.77 C ATOM 262 CE LYS A 7 -3.981 -13.053 -0.896 1.00 0.66 C ATOM 263 NZ LYS A 7 -4.052 -13.059 0.596 1.00 0.85 N ATOM 0 H LYS A 7 -7.435 -11.928 -2.176 1.00 0.40 H new ATOM 0 HA LYS A 7 -6.212 -12.001 -4.866 1.00 0.42 H new ATOM 0 HB2 LYS A 7 -7.200 -14.270 -3.105 1.00 0.47 H new ATOM 0 HB3 LYS A 7 -6.374 -14.428 -4.643 1.00 0.47 H new ATOM 0 HG2 LYS A 7 -4.600 -14.757 -3.197 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -4.470 -13.027 -3.448 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -6.067 -12.868 -1.345 1.00 0.77 H new ATOM 0 HD3 LYS A 7 -5.542 -14.512 -1.041 1.00 0.77 H new ATOM 0 HE2 LYS A 7 -3.139 -13.663 -1.222 1.00 0.66 H new ATOM 0 HE3 LYS A 7 -3.794 -12.038 -1.247 1.00 0.66 H new ATOM 0 HZ1 LYS A 7 -3.107 -12.874 0.989 1.00 0.85 H new ATOM 0 HZ2 LYS A 7 -4.711 -12.320 0.915 1.00 0.85 H new ATOM 0 HZ3 LYS A 7 -4.388 -13.987 0.924 1.00 0.85 H new ATOM 277 N ILE A 8 -8.592 -11.370 -5.533 1.00 0.47 N ATOM 278 CA ILE A 8 -9.884 -11.220 -6.200 1.00 0.53 C ATOM 279 C ILE A 8 -9.715 -10.465 -7.501 1.00 0.54 C ATOM 280 O ILE A 8 -10.276 -10.838 -8.522 1.00 0.66 O ATOM 281 CB ILE A 8 -10.898 -10.425 -5.346 1.00 0.62 C ATOM 282 CG1 ILE A 8 -10.674 -10.671 -3.851 1.00 0.66 C ATOM 283 CG2 ILE A 8 -12.319 -10.796 -5.748 1.00 0.72 C ATOM 284 CD1 ILE A 8 -11.682 -9.982 -2.961 1.00 1.17 C ATOM 0 H ILE A 8 -7.963 -10.577 -5.656 1.00 0.47 H new ATOM 0 HA ILE A 8 -10.260 -12.229 -6.365 1.00 0.53 H new ATOM 0 HB ILE A 8 -10.746 -9.362 -5.531 1.00 0.62 H new ATOM 0 HG12 ILE A 8 -10.708 -11.744 -3.660 1.00 0.66 H new ATOM 0 HG13 ILE A 8 -9.674 -10.331 -3.582 1.00 0.66 H new ATOM 0 HG21 ILE A 8 -13.028 -10.232 -5.142 1.00 0.72 H new ATOM 0 HG22 ILE A 8 -12.473 -10.559 -6.801 1.00 0.72 H new ATOM 0 HG23 ILE A 8 -12.475 -11.863 -5.590 1.00 0.72 H new ATOM 0 HD11 ILE A 8 -11.458 -10.204 -1.918 1.00 1.17 H new ATOM 0 HD12 ILE A 8 -11.633 -8.905 -3.122 1.00 1.17 H new ATOM 0 HD13 ILE A 8 -12.683 -10.340 -3.201 1.00 1.17 H new ATOM 296 N ASN A 9 -8.914 -9.405 -7.424 1.00 0.50 N ATOM 297 CA ASN A 9 -8.751 -8.423 -8.493 1.00 0.51 C ATOM 298 C ASN A 9 -10.053 -7.659 -8.745 1.00 0.56 C ATOM 299 O ASN A 9 -11.098 -8.224 -9.070 1.00 0.74 O ATOM 300 CB ASN A 9 -8.157 -9.030 -9.779 1.00 0.60 C ATOM 301 CG ASN A 9 -9.133 -9.148 -10.945 1.00 1.27 C ATOM 302 OD1 ASN A 9 -9.292 -8.213 -11.732 1.00 2.27 O ATOM 303 ND2 ASN A 9 -9.764 -10.301 -11.084 1.00 1.56 N ATOM 0 H ASN A 9 -8.349 -9.201 -6.600 1.00 0.50 H new ATOM 0 HA ASN A 9 -8.013 -7.698 -8.151 1.00 0.51 H new ATOM 0 HB2 ASN A 9 -7.310 -8.420 -10.094 1.00 0.60 H new ATOM 0 HB3 ASN A 9 -7.767 -10.022 -9.549 1.00 0.60 H new ATOM 0 HD21 ASN A 9 -10.408 -10.439 -11.863 1.00 1.56 H new ATOM 0 HD22 ASN A 9 -9.607 -11.052 -10.412 1.00 1.56 H new ATOM 310 N GLU A 10 -9.961 -6.361 -8.523 1.00 0.74 N ATOM 311 CA GLU A 10 -11.101 -5.453 -8.559 1.00 0.81 C ATOM 312 C GLU A 10 -10.576 -4.028 -8.398 1.00 0.77 C ATOM 313 O GLU A 10 -9.646 -3.634 -9.100 1.00 1.04 O ATOM 314 CB GLU A 10 -12.075 -5.799 -7.425 1.00 0.87 C ATOM 315 CG GLU A 10 -11.359 -6.084 -6.114 1.00 0.82 C ATOM 316 CD GLU A 10 -12.273 -6.255 -4.930 1.00 0.95 C ATOM 317 OE1 GLU A 10 -13.323 -5.587 -4.914 1.00 1.12 O ATOM 318 OE2 GLU A 10 -11.977 -7.087 -4.054 1.00 1.11 O ATOM 0 H GLU A 10 -9.079 -5.897 -8.309 1.00 0.74 H new ATOM 0 HA GLU A 10 -11.635 -5.545 -9.505 1.00 0.81 H new ATOM 0 HB2 GLU A 10 -12.772 -4.973 -7.283 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -12.666 -6.669 -7.710 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -10.761 -6.988 -6.230 1.00 0.82 H new ATOM 0 HG3 GLU A 10 -10.666 -5.268 -5.908 1.00 0.82 H new ATOM 325 N ALA A 11 -11.143 -3.277 -7.464 1.00 0.53 N ATOM 326 CA ALA A 11 -10.619 -1.966 -7.110 1.00 0.46 C ATOM 327 C ALA A 11 -10.918 -1.660 -5.650 1.00 0.38 C ATOM 328 O ALA A 11 -11.936 -2.091 -5.118 1.00 0.41 O ATOM 329 CB ALA A 11 -11.201 -0.887 -8.013 1.00 0.56 C ATOM 0 H ALA A 11 -11.970 -3.555 -6.936 1.00 0.53 H new ATOM 0 HA ALA A 11 -9.538 -1.976 -7.252 1.00 0.46 H new ATOM 0 HB1 ALA A 11 -10.794 0.084 -7.729 1.00 0.56 H new ATOM 0 HB2 ALA A 11 -10.940 -1.100 -9.050 1.00 0.56 H new ATOM 0 HB3 ALA A 11 -12.286 -0.871 -7.908 1.00 0.56 H new ATOM 335 N ILE A 12 -10.016 -0.940 -5.000 1.00 0.34 N ATOM 336 CA ILE A 12 -10.195 -0.590 -3.598 1.00 0.32 C ATOM 337 C ILE A 12 -10.533 0.887 -3.462 1.00 0.28 C ATOM 338 O ILE A 12 -9.748 1.745 -3.852 1.00 0.33 O ATOM 339 CB ILE A 12 -8.932 -0.902 -2.762 1.00 0.39 C ATOM 340 CG1 ILE A 12 -8.636 -2.400 -2.781 1.00 0.42 C ATOM 341 CG2 ILE A 12 -9.098 -0.420 -1.327 1.00 0.46 C ATOM 342 CD1 ILE A 12 -9.751 -3.248 -2.202 1.00 0.98 C ATOM 0 H ILE A 12 -9.155 -0.587 -5.419 1.00 0.34 H new ATOM 0 HA ILE A 12 -11.017 -1.196 -3.217 1.00 0.32 H new ATOM 0 HB ILE A 12 -8.092 -0.371 -3.209 1.00 0.39 H new ATOM 0 HG12 ILE A 12 -8.450 -2.712 -3.809 1.00 0.42 H new ATOM 0 HG13 ILE A 12 -7.720 -2.588 -2.221 1.00 0.42 H new ATOM 0 HG21 ILE A 12 -8.197 -0.651 -0.759 1.00 0.46 H new ATOM 0 HG22 ILE A 12 -9.264 0.657 -1.322 1.00 0.46 H new ATOM 0 HG23 ILE A 12 -9.952 -0.921 -0.871 1.00 0.46 H new ATOM 0 HD11 ILE A 12 -9.470 -4.300 -2.249 1.00 0.98 H new ATOM 0 HD12 ILE A 12 -9.922 -2.964 -1.164 1.00 0.98 H new ATOM 0 HD13 ILE A 12 -10.664 -3.090 -2.776 1.00 0.98 H new ATOM 354 N GLN A 13 -11.707 1.167 -2.921 1.00 0.25 N ATOM 355 CA GLN A 13 -12.146 2.534 -2.698 1.00 0.26 C ATOM 356 C GLN A 13 -12.460 2.746 -1.224 1.00 0.25 C ATOM 357 O GLN A 13 -13.513 2.336 -0.733 1.00 0.30 O ATOM 358 CB GLN A 13 -13.371 2.844 -3.575 1.00 0.33 C ATOM 359 CG GLN A 13 -14.167 4.085 -3.165 1.00 0.40 C ATOM 360 CD GLN A 13 -13.475 5.410 -3.451 1.00 0.81 C ATOM 361 OE1 GLN A 13 -14.134 6.412 -3.716 1.00 1.62 O ATOM 362 NE2 GLN A 13 -12.155 5.443 -3.381 1.00 0.91 N ATOM 0 H GLN A 13 -12.379 0.458 -2.626 1.00 0.25 H new ATOM 0 HA GLN A 13 -11.346 3.219 -2.978 1.00 0.26 H new ATOM 0 HB2 GLN A 13 -13.038 2.969 -4.605 1.00 0.33 H new ATOM 0 HB3 GLN A 13 -14.038 1.982 -3.558 1.00 0.33 H new ATOM 0 HG2 GLN A 13 -15.126 4.072 -3.684 1.00 0.40 H new ATOM 0 HG3 GLN A 13 -14.381 4.026 -2.098 1.00 0.40 H new ATOM 0 HE21 GLN A 13 -11.635 4.594 -3.159 1.00 0.91 H new ATOM 0 HE22 GLN A 13 -11.657 6.317 -3.549 1.00 0.91 H new ATOM 371 N ILE A 14 -11.524 3.350 -0.512 1.00 0.25 N ATOM 372 CA ILE A 14 -11.707 3.626 0.901 1.00 0.26 C ATOM 373 C ILE A 14 -11.682 5.125 1.167 1.00 0.29 C ATOM 374 O ILE A 14 -10.751 5.825 0.756 1.00 0.30 O ATOM 375 CB ILE A 14 -10.667 2.914 1.806 1.00 0.26 C ATOM 376 CG1 ILE A 14 -9.220 3.312 1.458 1.00 0.28 C ATOM 377 CG2 ILE A 14 -10.845 1.405 1.733 1.00 0.29 C ATOM 378 CD1 ILE A 14 -8.627 2.590 0.264 1.00 0.31 C ATOM 0 H ILE A 14 -10.629 3.659 -0.891 1.00 0.25 H new ATOM 0 HA ILE A 14 -12.686 3.222 1.161 1.00 0.26 H new ATOM 0 HB ILE A 14 -10.848 3.242 2.829 1.00 0.26 H new ATOM 0 HG12 ILE A 14 -9.190 4.385 1.267 1.00 0.28 H new ATOM 0 HG13 ILE A 14 -8.589 3.125 2.327 1.00 0.28 H new ATOM 0 HG21 ILE A 14 -10.108 0.920 2.373 1.00 0.29 H new ATOM 0 HG22 ILE A 14 -11.848 1.140 2.069 1.00 0.29 H new ATOM 0 HG23 ILE A 14 -10.707 1.072 0.704 1.00 0.29 H new ATOM 0 HD11 ILE A 14 -7.607 2.938 0.098 1.00 0.31 H new ATOM 0 HD12 ILE A 14 -8.618 1.517 0.455 1.00 0.31 H new ATOM 0 HD13 ILE A 14 -9.229 2.796 -0.621 1.00 0.31 H new ATOM 390 N GLY A 15 -12.737 5.614 1.811 1.00 0.33 N ATOM 391 CA GLY A 15 -12.810 7.009 2.215 1.00 0.39 C ATOM 392 C GLY A 15 -12.789 7.992 1.054 1.00 0.59 C ATOM 393 O GLY A 15 -12.741 9.204 1.271 1.00 1.36 O ATOM 0 H GLY A 15 -13.555 5.060 2.064 1.00 0.33 H new ATOM 0 HA2 GLY A 15 -13.723 7.162 2.791 1.00 0.39 H new ATOM 0 HA3 GLY A 15 -11.974 7.229 2.879 1.00 0.39 H new ATOM 397 N ALA A 16 -12.814 7.464 -0.169 1.00 0.46 N ATOM 398 CA ALA A 16 -12.785 8.270 -1.391 1.00 0.51 C ATOM 399 C ALA A 16 -11.446 8.991 -1.579 1.00 0.49 C ATOM 400 O ALA A 16 -11.296 9.793 -2.500 1.00 0.71 O ATOM 401 CB ALA A 16 -13.940 9.264 -1.416 1.00 0.71 C ATOM 0 H ALA A 16 -12.855 6.460 -0.342 1.00 0.46 H new ATOM 0 HA ALA A 16 -12.901 7.581 -2.228 1.00 0.51 H new ATOM 0 HB1 ALA A 16 -13.896 9.850 -2.334 1.00 0.71 H new ATOM 0 HB2 ALA A 16 -14.886 8.724 -1.376 1.00 0.71 H new ATOM 0 HB3 ALA A 16 -13.866 9.930 -0.556 1.00 0.71 H new ATOM 407 N ASP A 17 -10.471 8.702 -0.718 1.00 0.45 N ATOM 408 CA ASP A 17 -9.142 9.292 -0.858 1.00 0.47 C ATOM 409 C ASP A 17 -8.278 8.396 -1.725 1.00 0.40 C ATOM 410 O ASP A 17 -7.530 8.869 -2.578 1.00 0.45 O ATOM 411 CB ASP A 17 -8.463 9.521 0.501 1.00 0.53 C ATOM 412 CG ASP A 17 -7.060 10.092 0.356 1.00 1.10 C ATOM 413 OD1 ASP A 17 -6.912 11.251 -0.092 1.00 1.04 O ATOM 414 OD2 ASP A 17 -6.088 9.387 0.702 1.00 1.80 O ATOM 0 H ASP A 17 -10.575 8.070 0.076 1.00 0.45 H new ATOM 0 HA ASP A 17 -9.259 10.268 -1.330 1.00 0.47 H new ATOM 0 HB2 ASP A 17 -9.070 10.202 1.098 1.00 0.53 H new ATOM 0 HB3 ASP A 17 -8.415 8.577 1.044 1.00 0.53 H new ATOM 419 N ILE A 18 -8.411 7.095 -1.517 1.00 0.35 N ATOM 420 CA ILE A 18 -7.661 6.124 -2.293 1.00 0.35 C ATOM 421 C ILE A 18 -8.603 5.198 -3.052 1.00 0.31 C ATOM 422 O ILE A 18 -9.495 4.581 -2.462 1.00 0.30 O ATOM 423 CB ILE A 18 -6.709 5.298 -1.397 1.00 0.41 C ATOM 424 CG1 ILE A 18 -5.629 6.206 -0.804 1.00 0.54 C ATOM 425 CG2 ILE A 18 -6.076 4.156 -2.180 1.00 0.41 C ATOM 426 CD1 ILE A 18 -4.782 6.910 -1.843 1.00 0.61 C ATOM 0 H ILE A 18 -9.032 6.689 -0.817 1.00 0.35 H new ATOM 0 HA ILE A 18 -7.055 6.676 -3.011 1.00 0.35 H new ATOM 0 HB ILE A 18 -7.291 4.864 -0.584 1.00 0.41 H new ATOM 0 HG12 ILE A 18 -6.105 6.954 -0.170 1.00 0.54 H new ATOM 0 HG13 ILE A 18 -4.979 5.611 -0.162 1.00 0.54 H new ATOM 0 HG21 ILE A 18 -5.411 3.591 -1.526 1.00 0.41 H new ATOM 0 HG22 ILE A 18 -6.858 3.498 -2.559 1.00 0.41 H new ATOM 0 HG23 ILE A 18 -5.505 4.560 -3.016 1.00 0.41 H new ATOM 0 HD11 ILE A 18 -4.040 7.534 -1.345 1.00 0.61 H new ATOM 0 HD12 ILE A 18 -4.276 6.170 -2.463 1.00 0.61 H new ATOM 0 HD13 ILE A 18 -5.419 7.534 -2.470 1.00 0.61 H new ATOM 438 N GLU A 19 -8.419 5.139 -4.366 1.00 0.34 N ATOM 439 CA GLU A 19 -9.201 4.256 -5.225 1.00 0.35 C ATOM 440 C GLU A 19 -8.320 3.621 -6.298 1.00 0.36 C ATOM 441 O GLU A 19 -7.827 4.318 -7.187 1.00 0.44 O ATOM 442 CB GLU A 19 -10.338 5.044 -5.883 1.00 0.47 C ATOM 443 CG GLU A 19 -9.869 6.309 -6.582 1.00 1.35 C ATOM 444 CD GLU A 19 -11.003 7.131 -7.142 1.00 1.71 C ATOM 445 OE1 GLU A 19 -11.649 6.671 -8.103 1.00 2.27 O ATOM 446 OE2 GLU A 19 -11.251 8.241 -6.622 1.00 2.07 O ATOM 0 H GLU A 19 -7.727 5.699 -4.864 1.00 0.34 H new ATOM 0 HA GLU A 19 -9.621 3.460 -4.610 1.00 0.35 H new ATOM 0 HB2 GLU A 19 -10.843 4.404 -6.606 1.00 0.47 H new ATOM 0 HB3 GLU A 19 -11.074 5.309 -5.124 1.00 0.47 H new ATOM 0 HG2 GLU A 19 -9.301 6.917 -5.878 1.00 1.35 H new ATOM 0 HG3 GLU A 19 -9.190 6.040 -7.391 1.00 1.35 H new ATOM 453 N VAL A 20 -8.129 2.298 -6.211 1.00 0.36 N ATOM 454 CA VAL A 20 -7.333 1.561 -7.196 1.00 0.43 C ATOM 455 C VAL A 20 -7.003 0.145 -6.702 1.00 0.39 C ATOM 456 O VAL A 20 -6.979 -0.117 -5.499 1.00 0.36 O ATOM 457 CB VAL A 20 -6.000 2.293 -7.522 1.00 0.52 C ATOM 458 CG1 VAL A 20 -5.036 2.249 -6.342 1.00 0.52 C ATOM 459 CG2 VAL A 20 -5.350 1.725 -8.779 1.00 0.67 C ATOM 0 H VAL A 20 -8.516 1.717 -5.467 1.00 0.36 H new ATOM 0 HA VAL A 20 -7.941 1.502 -8.098 1.00 0.43 H new ATOM 0 HB VAL A 20 -6.242 3.339 -7.713 1.00 0.52 H new ATOM 0 HG11 VAL A 20 -4.115 2.770 -6.605 1.00 0.52 H new ATOM 0 HG12 VAL A 20 -5.494 2.734 -5.480 1.00 0.52 H new ATOM 0 HG13 VAL A 20 -4.809 1.212 -6.096 1.00 0.52 H new ATOM 0 HG21 VAL A 20 -4.420 2.257 -8.980 1.00 0.67 H new ATOM 0 HG22 VAL A 20 -5.137 0.666 -8.632 1.00 0.67 H new ATOM 0 HG23 VAL A 20 -6.027 1.845 -9.625 1.00 0.67 H new ATOM 469 N LYS A 21 -6.811 -0.769 -7.644 1.00 0.44 N ATOM 470 CA LYS A 21 -6.129 -2.025 -7.377 1.00 0.44 C ATOM 471 C LYS A 21 -5.056 -2.236 -8.422 1.00 0.46 C ATOM 472 O LYS A 21 -5.349 -2.652 -9.545 1.00 0.57 O ATOM 473 CB LYS A 21 -7.081 -3.234 -7.379 1.00 0.55 C ATOM 474 CG LYS A 21 -7.608 -3.600 -6.002 1.00 1.51 C ATOM 475 CD LYS A 21 -8.144 -5.024 -5.944 1.00 2.23 C ATOM 476 CE LYS A 21 -8.671 -5.350 -4.551 1.00 3.01 C ATOM 477 NZ LYS A 21 -9.056 -6.779 -4.385 1.00 3.67 N ATOM 0 H LYS A 21 -7.122 -0.660 -8.609 1.00 0.44 H new ATOM 0 HA LYS A 21 -5.698 -1.955 -6.378 1.00 0.44 H new ATOM 0 HB2 LYS A 21 -7.924 -3.020 -8.036 1.00 0.55 H new ATOM 0 HB3 LYS A 21 -6.560 -4.094 -7.799 1.00 0.55 H new ATOM 0 HG2 LYS A 21 -6.810 -3.485 -5.268 1.00 1.51 H new ATOM 0 HG3 LYS A 21 -8.400 -2.905 -5.723 1.00 1.51 H new ATOM 0 HD2 LYS A 21 -8.941 -5.147 -6.677 1.00 2.23 H new ATOM 0 HD3 LYS A 21 -7.354 -5.726 -6.212 1.00 2.23 H new ATOM 0 HE2 LYS A 21 -7.908 -5.099 -3.814 1.00 3.01 H new ATOM 0 HE3 LYS A 21 -9.536 -4.721 -4.341 1.00 3.01 H new ATOM 0 HZ1 LYS A 21 -9.996 -6.836 -3.944 1.00 3.67 H new ATOM 0 HZ2 LYS A 21 -9.081 -7.242 -5.316 1.00 3.67 H new ATOM 0 HZ3 LYS A 21 -8.360 -7.258 -3.779 1.00 3.67 H new ATOM 491 N VAL A 22 -3.820 -1.928 -8.072 1.00 0.40 N ATOM 492 CA VAL A 22 -2.711 -2.275 -8.931 1.00 0.42 C ATOM 493 C VAL A 22 -2.326 -3.704 -8.621 1.00 0.38 C ATOM 494 O VAL A 22 -1.738 -3.989 -7.583 1.00 0.39 O ATOM 495 CB VAL A 22 -1.495 -1.344 -8.726 1.00 0.54 C ATOM 496 CG1 VAL A 22 -0.344 -1.750 -9.634 1.00 1.32 C ATOM 497 CG2 VAL A 22 -1.885 0.108 -8.970 1.00 0.82 C ATOM 0 H VAL A 22 -3.565 -1.445 -7.211 1.00 0.40 H new ATOM 0 HA VAL A 22 -3.017 -2.161 -9.971 1.00 0.42 H new ATOM 0 HB VAL A 22 -1.162 -1.441 -7.693 1.00 0.54 H new ATOM 0 HG11 VAL A 22 0.501 -1.080 -9.472 1.00 1.32 H new ATOM 0 HG12 VAL A 22 -0.045 -2.773 -9.407 1.00 1.32 H new ATOM 0 HG13 VAL A 22 -0.662 -1.688 -10.675 1.00 1.32 H new ATOM 0 HG21 VAL A 22 -1.016 0.748 -8.821 1.00 0.82 H new ATOM 0 HG22 VAL A 22 -2.248 0.221 -9.992 1.00 0.82 H new ATOM 0 HG23 VAL A 22 -2.671 0.396 -8.272 1.00 0.82 H new ATOM 507 N ILE A 23 -2.678 -4.600 -9.511 1.00 0.39 N ATOM 508 CA ILE A 23 -2.484 -6.007 -9.270 1.00 0.38 C ATOM 509 C ILE A 23 -1.081 -6.421 -9.662 1.00 0.41 C ATOM 510 O ILE A 23 -0.611 -6.132 -10.766 1.00 0.50 O ATOM 511 CB ILE A 23 -3.530 -6.844 -10.029 1.00 0.45 C ATOM 512 CG1 ILE A 23 -4.939 -6.426 -9.596 1.00 0.51 C ATOM 513 CG2 ILE A 23 -3.314 -8.325 -9.770 1.00 0.48 C ATOM 514 CD1 ILE A 23 -5.985 -6.648 -10.665 1.00 1.39 C ATOM 0 H ILE A 23 -3.102 -4.377 -10.412 1.00 0.39 H new ATOM 0 HA ILE A 23 -2.614 -6.192 -8.204 1.00 0.38 H new ATOM 0 HB ILE A 23 -3.419 -6.665 -11.098 1.00 0.45 H new ATOM 0 HG12 ILE A 23 -5.218 -6.986 -8.703 1.00 0.51 H new ATOM 0 HG13 ILE A 23 -4.929 -5.371 -9.321 1.00 0.51 H new ATOM 0 HG21 ILE A 23 -4.062 -8.902 -10.314 1.00 0.48 H new ATOM 0 HG22 ILE A 23 -2.318 -8.612 -10.107 1.00 0.48 H new ATOM 0 HG23 ILE A 23 -3.407 -8.525 -8.703 1.00 0.48 H new ATOM 0 HD11 ILE A 23 -6.959 -6.331 -10.292 1.00 1.39 H new ATOM 0 HD12 ILE A 23 -5.729 -6.067 -11.551 1.00 1.39 H new ATOM 0 HD13 ILE A 23 -6.022 -7.706 -10.923 1.00 1.39 H new ATOM 526 N ALA A 24 -0.418 -7.073 -8.732 1.00 0.38 N ATOM 527 CA ALA A 24 0.932 -7.542 -8.936 1.00 0.45 C ATOM 528 C ALA A 24 0.988 -9.026 -8.646 1.00 0.41 C ATOM 529 O ALA A 24 0.235 -9.530 -7.808 1.00 0.39 O ATOM 530 CB ALA A 24 1.898 -6.778 -8.043 1.00 0.55 C ATOM 0 H ALA A 24 -0.802 -7.292 -7.813 1.00 0.38 H new ATOM 0 HA ALA A 24 1.228 -7.369 -9.971 1.00 0.45 H new ATOM 0 HB1 ALA A 24 2.912 -7.143 -8.208 1.00 0.55 H new ATOM 0 HB2 ALA A 24 1.851 -5.715 -8.282 1.00 0.55 H new ATOM 0 HB3 ALA A 24 1.624 -6.928 -6.999 1.00 0.55 H new ATOM 536 N VAL A 25 1.861 -9.727 -9.342 1.00 0.56 N ATOM 537 CA VAL A 25 1.961 -11.162 -9.184 1.00 0.60 C ATOM 538 C VAL A 25 2.980 -11.493 -8.110 1.00 0.56 C ATOM 539 O VAL A 25 4.181 -11.304 -8.294 1.00 0.78 O ATOM 540 CB VAL A 25 2.353 -11.861 -10.499 1.00 0.91 C ATOM 541 CG1 VAL A 25 2.321 -13.372 -10.331 1.00 1.48 C ATOM 542 CG2 VAL A 25 1.431 -11.430 -11.629 1.00 1.67 C ATOM 0 H VAL A 25 2.509 -9.327 -10.020 1.00 0.56 H new ATOM 0 HA VAL A 25 0.977 -11.529 -8.891 1.00 0.60 H new ATOM 0 HB VAL A 25 3.371 -11.565 -10.754 1.00 0.91 H new ATOM 0 HG11 VAL A 25 2.601 -13.849 -11.271 1.00 1.48 H new ATOM 0 HG12 VAL A 25 3.024 -13.666 -9.551 1.00 1.48 H new ATOM 0 HG13 VAL A 25 1.316 -13.686 -10.050 1.00 1.48 H new ATOM 0 HG21 VAL A 25 1.724 -11.934 -12.550 1.00 1.67 H new ATOM 0 HG22 VAL A 25 0.403 -11.695 -11.381 1.00 1.67 H new ATOM 0 HG23 VAL A 25 1.504 -10.351 -11.767 1.00 1.67 H new ATOM 552 N GLU A 26 2.487 -11.985 -6.988 1.00 0.43 N ATOM 553 CA GLU A 26 3.331 -12.326 -5.853 1.00 0.48 C ATOM 554 C GLU A 26 3.940 -13.710 -6.065 1.00 0.53 C ATOM 555 O GLU A 26 4.080 -14.495 -5.128 1.00 0.68 O ATOM 556 CB GLU A 26 2.492 -12.327 -4.574 1.00 0.51 C ATOM 557 CG GLU A 26 3.279 -12.009 -3.315 1.00 0.74 C ATOM 558 CD GLU A 26 2.595 -12.505 -2.057 1.00 1.01 C ATOM 559 OE1 GLU A 26 2.818 -13.680 -1.682 1.00 1.50 O ATOM 560 OE2 GLU A 26 1.843 -11.721 -1.439 1.00 1.85 O ATOM 0 H GLU A 26 1.494 -12.160 -6.836 1.00 0.43 H new ATOM 0 HA GLU A 26 4.130 -11.590 -5.762 1.00 0.48 H new ATOM 0 HB2 GLU A 26 1.687 -11.599 -4.680 1.00 0.51 H new ATOM 0 HB3 GLU A 26 2.025 -13.305 -4.460 1.00 0.51 H new ATOM 0 HG2 GLU A 26 4.269 -12.459 -3.387 1.00 0.74 H new ATOM 0 HG3 GLU A 26 3.423 -10.931 -3.244 1.00 0.74 H new ATOM 567 N GLY A 27 4.295 -14.002 -7.306 1.00 0.54 N ATOM 568 CA GLY A 27 4.749 -15.325 -7.662 1.00 0.60 C ATOM 569 C GLY A 27 3.588 -16.288 -7.800 1.00 0.69 C ATOM 570 O GLY A 27 3.254 -16.717 -8.904 1.00 0.80 O ATOM 0 H GLY A 27 4.275 -13.337 -8.079 1.00 0.54 H new ATOM 0 HA2 GLY A 27 5.302 -15.282 -8.601 1.00 0.60 H new ATOM 0 HA3 GLY A 27 5.439 -15.691 -6.902 1.00 0.60 H new ATOM 574 N ASP A 28 2.955 -16.600 -6.678 1.00 0.75 N ATOM 575 CA ASP A 28 1.816 -17.507 -6.662 1.00 0.93 C ATOM 576 C ASP A 28 0.610 -16.864 -5.981 1.00 0.85 C ATOM 577 O ASP A 28 -0.428 -17.499 -5.803 1.00 1.07 O ATOM 578 CB ASP A 28 2.184 -18.810 -5.946 1.00 1.21 C ATOM 579 CG ASP A 28 2.588 -18.592 -4.498 1.00 1.64 C ATOM 580 OD1 ASP A 28 3.772 -18.300 -4.243 1.00 2.21 O ATOM 581 OD2 ASP A 28 1.717 -18.705 -3.606 1.00 2.13 O ATOM 0 H ASP A 28 3.213 -16.236 -5.761 1.00 0.75 H new ATOM 0 HA ASP A 28 1.550 -17.728 -7.695 1.00 0.93 H new ATOM 0 HB2 ASP A 28 1.334 -19.492 -5.983 1.00 1.21 H new ATOM 0 HB3 ASP A 28 3.003 -19.293 -6.478 1.00 1.21 H new ATOM 586 N GLN A 29 0.749 -15.601 -5.613 1.00 0.61 N ATOM 587 CA GLN A 29 -0.313 -14.890 -4.914 1.00 0.54 C ATOM 588 C GLN A 29 -0.761 -13.670 -5.708 1.00 0.41 C ATOM 589 O GLN A 29 0.027 -13.087 -6.456 1.00 0.38 O ATOM 590 CB GLN A 29 0.178 -14.469 -3.526 1.00 0.60 C ATOM 591 CG GLN A 29 -0.798 -13.606 -2.745 1.00 0.62 C ATOM 592 CD GLN A 29 -0.869 -13.980 -1.278 1.00 0.73 C ATOM 593 OE1 GLN A 29 -1.633 -14.865 -0.889 1.00 1.01 O ATOM 594 NE2 GLN A 29 -0.108 -13.293 -0.452 1.00 0.74 N ATOM 0 H GLN A 29 1.587 -15.045 -5.786 1.00 0.61 H new ATOM 0 HA GLN A 29 -1.169 -15.556 -4.807 1.00 0.54 H new ATOM 0 HB2 GLN A 29 0.396 -15.365 -2.945 1.00 0.60 H new ATOM 0 HB3 GLN A 29 1.116 -13.925 -3.636 1.00 0.60 H new ATOM 0 HG2 GLN A 29 -0.504 -12.560 -2.835 1.00 0.62 H new ATOM 0 HG3 GLN A 29 -1.790 -13.697 -3.187 1.00 0.62 H new ATOM 0 HE21 GLN A 29 0.512 -12.568 -0.813 1.00 0.74 H new ATOM 0 HE22 GLN A 29 -0.138 -13.486 0.549 1.00 0.74 H new ATOM 603 N VAL A 30 -2.024 -13.296 -5.562 1.00 0.37 N ATOM 604 CA VAL A 30 -2.518 -12.084 -6.189 1.00 0.31 C ATOM 605 C VAL A 30 -2.729 -11.009 -5.134 1.00 0.24 C ATOM 606 O VAL A 30 -3.519 -11.171 -4.193 1.00 0.28 O ATOM 607 CB VAL A 30 -3.854 -12.317 -6.938 1.00 0.42 C ATOM 608 CG1 VAL A 30 -4.265 -11.083 -7.730 1.00 1.08 C ATOM 609 CG2 VAL A 30 -3.776 -13.541 -7.840 1.00 0.98 C ATOM 0 H VAL A 30 -2.718 -13.811 -5.020 1.00 0.37 H new ATOM 0 HA VAL A 30 -1.770 -11.768 -6.916 1.00 0.31 H new ATOM 0 HB VAL A 30 -4.622 -12.504 -6.187 1.00 0.42 H new ATOM 0 HG11 VAL A 30 -5.206 -11.278 -8.244 1.00 1.08 H new ATOM 0 HG12 VAL A 30 -4.390 -10.240 -7.051 1.00 1.08 H new ATOM 0 HG13 VAL A 30 -3.493 -10.847 -8.463 1.00 1.08 H new ATOM 0 HG21 VAL A 30 -4.729 -13.677 -8.351 1.00 0.98 H new ATOM 0 HG22 VAL A 30 -2.985 -13.400 -8.577 1.00 0.98 H new ATOM 0 HG23 VAL A 30 -3.558 -14.423 -7.238 1.00 0.98 H new ATOM 619 N LYS A 31 -2.018 -9.915 -5.273 1.00 0.20 N ATOM 620 CA LYS A 31 -2.125 -8.844 -4.319 1.00 0.21 C ATOM 621 C LYS A 31 -2.205 -7.497 -5.027 1.00 0.22 C ATOM 622 O LYS A 31 -1.670 -7.327 -6.123 1.00 0.25 O ATOM 623 CB LYS A 31 -0.962 -8.922 -3.327 1.00 0.31 C ATOM 624 CG LYS A 31 0.386 -8.509 -3.892 1.00 0.38 C ATOM 625 CD LYS A 31 1.509 -8.893 -2.947 1.00 0.55 C ATOM 626 CE LYS A 31 1.221 -8.438 -1.527 1.00 0.64 C ATOM 627 NZ LYS A 31 2.029 -9.193 -0.534 1.00 0.91 N ATOM 0 H LYS A 31 -1.362 -9.746 -6.036 1.00 0.20 H new ATOM 0 HA LYS A 31 -3.050 -8.949 -3.751 1.00 0.21 H new ATOM 0 HB2 LYS A 31 -1.191 -8.288 -2.470 1.00 0.31 H new ATOM 0 HB3 LYS A 31 -0.887 -9.944 -2.956 1.00 0.31 H new ATOM 0 HG2 LYS A 31 0.541 -8.986 -4.860 1.00 0.38 H new ATOM 0 HG3 LYS A 31 0.400 -7.432 -4.061 1.00 0.38 H new ATOM 0 HD2 LYS A 31 1.646 -9.974 -2.963 1.00 0.55 H new ATOM 0 HD3 LYS A 31 2.443 -8.448 -3.290 1.00 0.55 H new ATOM 0 HE2 LYS A 31 1.434 -7.373 -1.436 1.00 0.64 H new ATOM 0 HE3 LYS A 31 0.161 -8.571 -1.310 1.00 0.64 H new ATOM 0 HZ1 LYS A 31 1.844 -8.821 0.419 1.00 0.91 H new ATOM 0 HZ2 LYS A 31 1.770 -10.200 -0.569 1.00 0.91 H new ATOM 0 HZ3 LYS A 31 3.039 -9.087 -0.756 1.00 0.91 H new ATOM 641 N LEU A 32 -2.899 -6.558 -4.405 1.00 0.27 N ATOM 642 CA LEU A 32 -3.080 -5.229 -4.968 1.00 0.30 C ATOM 643 C LEU A 32 -2.039 -4.284 -4.402 1.00 0.29 C ATOM 644 O LEU A 32 -1.392 -4.591 -3.409 1.00 0.33 O ATOM 645 CB LEU A 32 -4.473 -4.688 -4.643 1.00 0.43 C ATOM 646 CG LEU A 32 -4.749 -4.455 -3.151 1.00 0.53 C ATOM 647 CD1 LEU A 32 -4.746 -2.966 -2.830 1.00 0.57 C ATOM 648 CD2 LEU A 32 -6.069 -5.088 -2.745 1.00 0.75 C ATOM 0 H LEU A 32 -3.351 -6.694 -3.501 1.00 0.27 H new ATOM 0 HA LEU A 32 -2.969 -5.300 -6.050 1.00 0.30 H new ATOM 0 HB2 LEU A 32 -4.613 -3.746 -5.174 1.00 0.43 H new ATOM 0 HB3 LEU A 32 -5.216 -5.386 -5.030 1.00 0.43 H new ATOM 0 HG LEU A 32 -3.952 -4.929 -2.578 1.00 0.53 H new ATOM 0 HD11 LEU A 32 -4.944 -2.822 -1.768 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -3.773 -2.542 -3.079 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -5.519 -2.466 -3.414 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -6.246 -4.912 -1.684 1.00 0.75 H new ATOM 0 HD22 LEU A 32 -6.878 -4.646 -3.326 1.00 0.75 H new ATOM 0 HD23 LEU A 32 -6.031 -6.161 -2.933 1.00 0.75 H new ATOM 660 N GLY A 33 -1.874 -3.147 -5.036 1.00 0.29 N ATOM 661 CA GLY A 33 -1.021 -2.123 -4.499 1.00 0.29 C ATOM 662 C GLY A 33 -1.647 -0.760 -4.652 1.00 0.30 C ATOM 663 O GLY A 33 -2.189 -0.446 -5.710 1.00 0.41 O ATOM 0 H GLY A 33 -2.320 -2.912 -5.923 1.00 0.29 H new ATOM 0 HA2 GLY A 33 -0.828 -2.322 -3.445 1.00 0.29 H new ATOM 0 HA3 GLY A 33 -0.058 -2.144 -5.009 1.00 0.29 H new ATOM 667 N ILE A 34 -1.614 0.036 -3.598 1.00 0.26 N ATOM 668 CA ILE A 34 -2.126 1.387 -3.682 1.00 0.30 C ATOM 669 C ILE A 34 -0.975 2.368 -3.848 1.00 0.29 C ATOM 670 O ILE A 34 -0.039 2.392 -3.043 1.00 0.27 O ATOM 671 CB ILE A 34 -3.003 1.795 -2.468 1.00 0.34 C ATOM 672 CG1 ILE A 34 -2.179 1.945 -1.185 1.00 0.35 C ATOM 673 CG2 ILE A 34 -4.112 0.777 -2.261 1.00 0.36 C ATOM 674 CD1 ILE A 34 -2.788 2.919 -0.203 1.00 1.16 C ATOM 0 H ILE A 34 -1.242 -0.228 -2.685 1.00 0.26 H new ATOM 0 HA ILE A 34 -2.777 1.418 -4.555 1.00 0.30 H new ATOM 0 HB ILE A 34 -3.438 2.769 -2.691 1.00 0.34 H new ATOM 0 HG12 ILE A 34 -2.080 0.970 -0.707 1.00 0.35 H new ATOM 0 HG13 ILE A 34 -1.173 2.278 -1.442 1.00 0.35 H new ATOM 0 HG21 ILE A 34 -4.722 1.072 -1.407 1.00 0.36 H new ATOM 0 HG22 ILE A 34 -4.736 0.732 -3.154 1.00 0.36 H new ATOM 0 HG23 ILE A 34 -3.675 -0.204 -2.073 1.00 0.36 H new ATOM 0 HD11 ILE A 34 -2.159 2.982 0.685 1.00 1.16 H new ATOM 0 HD12 ILE A 34 -2.862 3.903 -0.665 1.00 1.16 H new ATOM 0 HD13 ILE A 34 -3.783 2.575 0.081 1.00 1.16 H new ATOM 686 N ASP A 35 -1.013 3.134 -4.921 1.00 0.36 N ATOM 687 CA ASP A 35 -0.032 4.181 -5.113 1.00 0.37 C ATOM 688 C ASP A 35 -0.705 5.536 -5.044 1.00 0.38 C ATOM 689 O ASP A 35 -1.823 5.725 -5.529 1.00 0.51 O ATOM 690 CB ASP A 35 0.736 4.019 -6.432 1.00 0.53 C ATOM 691 CG ASP A 35 -0.108 4.265 -7.669 1.00 1.15 C ATOM 692 OD1 ASP A 35 -0.354 5.439 -8.007 1.00 1.94 O ATOM 693 OD2 ASP A 35 -0.498 3.280 -8.331 1.00 1.40 O ATOM 0 H ASP A 35 -1.705 3.052 -5.665 1.00 0.36 H new ATOM 0 HA ASP A 35 0.701 4.103 -4.310 1.00 0.37 H new ATOM 0 HB2 ASP A 35 1.580 4.709 -6.437 1.00 0.53 H new ATOM 0 HB3 ASP A 35 1.148 3.011 -6.480 1.00 0.53 H new ATOM 698 N ALA A 36 -0.033 6.459 -4.396 1.00 0.34 N ATOM 699 CA ALA A 36 -0.541 7.803 -4.226 1.00 0.42 C ATOM 700 C ALA A 36 0.579 8.797 -4.446 1.00 0.46 C ATOM 701 O ALA A 36 1.748 8.462 -4.237 1.00 0.49 O ATOM 702 CB ALA A 36 -1.146 7.972 -2.840 1.00 0.48 C ATOM 0 H ALA A 36 0.881 6.301 -3.972 1.00 0.34 H new ATOM 0 HA ALA A 36 -1.326 7.985 -4.960 1.00 0.42 H new ATOM 0 HB1 ALA A 36 -1.523 8.989 -2.729 1.00 0.48 H new ATOM 0 HB2 ALA A 36 -1.966 7.265 -2.712 1.00 0.48 H new ATOM 0 HB3 ALA A 36 -0.383 7.784 -2.085 1.00 0.48 H new ATOM 708 N PRO A 37 0.246 10.037 -4.846 1.00 0.54 N ATOM 709 CA PRO A 37 1.229 11.110 -5.073 1.00 0.63 C ATOM 710 C PRO A 37 1.897 11.573 -3.772 1.00 0.61 C ATOM 711 O PRO A 37 2.406 12.690 -3.685 1.00 0.65 O ATOM 712 CB PRO A 37 0.401 12.249 -5.685 1.00 0.71 C ATOM 713 CG PRO A 37 -0.914 11.645 -6.054 1.00 0.77 C ATOM 714 CD PRO A 37 -1.123 10.497 -5.116 1.00 0.62 C ATOM 0 HA PRO A 37 2.046 10.776 -5.713 1.00 0.63 H new ATOM 0 HB2 PRO A 37 0.271 13.064 -4.973 1.00 0.71 H new ATOM 0 HB3 PRO A 37 0.898 12.667 -6.560 1.00 0.71 H new ATOM 0 HG2 PRO A 37 -1.718 12.375 -5.961 1.00 0.77 H new ATOM 0 HG3 PRO A 37 -0.910 11.306 -7.090 1.00 0.77 H new ATOM 0 HD2 PRO A 37 -1.631 10.809 -4.204 1.00 0.62 H new ATOM 0 HD3 PRO A 37 -1.731 9.713 -5.567 1.00 0.62 H new ATOM 722 N LYS A 38 1.869 10.694 -2.770 1.00 0.59 N ATOM 723 CA LYS A 38 2.540 10.904 -1.493 1.00 0.63 C ATOM 724 C LYS A 38 1.971 12.080 -0.713 1.00 0.68 C ATOM 725 O LYS A 38 2.672 12.717 0.069 1.00 1.12 O ATOM 726 CB LYS A 38 4.041 11.049 -1.705 1.00 0.73 C ATOM 727 CG LYS A 38 4.797 9.766 -1.441 1.00 1.19 C ATOM 728 CD LYS A 38 4.685 9.369 0.013 1.00 0.90 C ATOM 729 CE LYS A 38 5.706 10.096 0.873 1.00 0.92 C ATOM 730 NZ LYS A 38 7.046 9.452 0.818 1.00 1.86 N ATOM 0 H LYS A 38 1.372 9.805 -2.826 1.00 0.59 H new ATOM 0 HA LYS A 38 2.355 10.022 -0.880 1.00 0.63 H new ATOM 0 HB2 LYS A 38 4.229 11.372 -2.729 1.00 0.73 H new ATOM 0 HB3 LYS A 38 4.422 11.831 -1.049 1.00 0.73 H new ATOM 0 HG2 LYS A 38 4.403 8.969 -2.072 1.00 1.19 H new ATOM 0 HG3 LYS A 38 5.846 9.895 -1.708 1.00 1.19 H new ATOM 0 HD2 LYS A 38 3.681 9.590 0.375 1.00 0.90 H new ATOM 0 HD3 LYS A 38 4.828 8.293 0.109 1.00 0.90 H new ATOM 0 HE2 LYS A 38 5.788 11.131 0.540 1.00 0.92 H new ATOM 0 HE3 LYS A 38 5.358 10.120 1.906 1.00 0.92 H new ATOM 0 HZ1 LYS A 38 7.722 10.009 1.378 1.00 1.86 H new ATOM 0 HZ2 LYS A 38 6.985 8.489 1.207 1.00 1.86 H new ATOM 0 HZ3 LYS A 38 7.369 9.406 -0.170 1.00 1.86 H new ATOM 744 N HIS A 39 0.685 12.343 -0.916 1.00 0.67 N ATOM 745 CA HIS A 39 -0.063 13.245 -0.042 1.00 0.67 C ATOM 746 C HIS A 39 -0.242 12.593 1.335 1.00 0.62 C ATOM 747 O HIS A 39 0.273 11.502 1.590 1.00 0.70 O ATOM 748 CB HIS A 39 -1.451 13.555 -0.640 1.00 0.69 C ATOM 749 CG HIS A 39 -2.392 12.383 -0.601 1.00 0.60 C ATOM 750 ND1 HIS A 39 -1.938 11.089 -0.557 1.00 0.57 N ATOM 751 CD2 HIS A 39 -3.746 12.305 -0.535 1.00 0.59 C ATOM 752 CE1 HIS A 39 -2.953 10.270 -0.463 1.00 0.55 C ATOM 753 NE2 HIS A 39 -4.068 10.971 -0.449 1.00 0.54 N ATOM 0 H HIS A 39 0.136 11.945 -1.678 1.00 0.67 H new ATOM 0 HA HIS A 39 0.496 14.176 0.055 1.00 0.67 H new ATOM 0 HB2 HIS A 39 -1.896 14.387 -0.095 1.00 0.69 H new ATOM 0 HB3 HIS A 39 -1.329 13.880 -1.673 1.00 0.69 H new ATOM 0 HD2 HIS A 39 -4.439 13.134 -0.548 1.00 0.59 H new ATOM 0 HE1 HIS A 39 -2.888 9.193 -0.406 1.00 0.55 H new ATOM 0 HE2 HIS A 39 -5.011 10.589 -0.385 1.00 0.54 H new ATOM 762 N ILE A 40 -1.020 13.238 2.183 1.00 0.63 N ATOM 763 CA ILE A 40 -1.387 12.682 3.471 1.00 0.64 C ATOM 764 C ILE A 40 -2.596 11.777 3.304 1.00 0.44 C ATOM 765 O ILE A 40 -3.395 11.960 2.388 1.00 0.44 O ATOM 766 CB ILE A 40 -1.734 13.769 4.510 1.00 0.85 C ATOM 767 CG1 ILE A 40 -3.022 14.511 4.105 1.00 0.90 C ATOM 768 CG2 ILE A 40 -0.568 14.735 4.678 1.00 1.06 C ATOM 769 CD1 ILE A 40 -2.831 15.621 3.083 1.00 1.02 C ATOM 0 H ILE A 40 -1.415 14.160 1.999 1.00 0.63 H new ATOM 0 HA ILE A 40 -0.523 12.128 3.837 1.00 0.64 H new ATOM 0 HB ILE A 40 -1.914 13.290 5.472 1.00 0.85 H new ATOM 0 HG12 ILE A 40 -3.730 13.786 3.703 1.00 0.90 H new ATOM 0 HG13 ILE A 40 -3.475 14.936 5.001 1.00 0.90 H new ATOM 0 HG21 ILE A 40 -0.829 15.495 5.414 1.00 1.06 H new ATOM 0 HG22 ILE A 40 0.312 14.188 5.017 1.00 1.06 H new ATOM 0 HG23 ILE A 40 -0.352 15.214 3.723 1.00 1.06 H new ATOM 0 HD11 ILE A 40 -3.794 16.082 2.863 1.00 1.02 H new ATOM 0 HD12 ILE A 40 -2.152 16.373 3.485 1.00 1.02 H new ATOM 0 HD13 ILE A 40 -2.411 15.204 2.168 1.00 1.02 H new ATOM 781 N ASP A 41 -2.721 10.809 4.171 1.00 0.43 N ATOM 782 CA ASP A 41 -3.804 9.856 4.081 1.00 0.34 C ATOM 783 C ASP A 41 -4.909 10.182 5.076 1.00 0.31 C ATOM 784 O ASP A 41 -4.695 10.213 6.288 1.00 0.38 O ATOM 785 CB ASP A 41 -3.257 8.444 4.274 1.00 0.54 C ATOM 786 CG ASP A 41 -2.467 8.260 5.544 1.00 0.90 C ATOM 787 OD1 ASP A 41 -1.559 9.068 5.823 1.00 1.36 O ATOM 788 OD2 ASP A 41 -2.760 7.292 6.261 1.00 1.05 O ATOM 0 H ASP A 41 -2.085 10.656 4.953 1.00 0.43 H new ATOM 0 HA ASP A 41 -4.253 9.917 3.090 1.00 0.34 H new ATOM 0 HB2 ASP A 41 -4.089 7.740 4.271 1.00 0.54 H new ATOM 0 HB3 ASP A 41 -2.623 8.192 3.424 1.00 0.54 H new ATOM 793 N ILE A 42 -6.096 10.437 4.545 1.00 0.28 N ATOM 794 CA ILE A 42 -7.236 10.840 5.356 1.00 0.30 C ATOM 795 C ILE A 42 -7.907 9.618 5.965 1.00 0.29 C ATOM 796 O ILE A 42 -7.876 8.543 5.379 1.00 0.31 O ATOM 797 CB ILE A 42 -8.271 11.612 4.508 1.00 0.38 C ATOM 798 CG1 ILE A 42 -7.554 12.556 3.537 1.00 0.41 C ATOM 799 CG2 ILE A 42 -9.228 12.385 5.408 1.00 0.47 C ATOM 800 CD1 ILE A 42 -8.489 13.421 2.719 1.00 1.28 C ATOM 0 H ILE A 42 -6.296 10.371 3.547 1.00 0.28 H new ATOM 0 HA ILE A 42 -6.868 11.492 6.148 1.00 0.30 H new ATOM 0 HB ILE A 42 -8.856 10.898 3.928 1.00 0.38 H new ATOM 0 HG12 ILE A 42 -6.881 13.200 4.103 1.00 0.41 H new ATOM 0 HG13 ILE A 42 -6.937 11.965 2.861 1.00 0.41 H new ATOM 0 HG21 ILE A 42 -9.950 12.923 4.794 1.00 0.47 H new ATOM 0 HG22 ILE A 42 -9.754 11.690 6.062 1.00 0.47 H new ATOM 0 HG23 ILE A 42 -8.665 13.096 6.012 1.00 0.47 H new ATOM 0 HD11 ILE A 42 -7.906 14.061 2.056 1.00 1.28 H new ATOM 0 HD12 ILE A 42 -9.146 12.786 2.125 1.00 1.28 H new ATOM 0 HD13 ILE A 42 -9.089 14.040 3.386 1.00 1.28 H new ATOM 812 N HIS A 43 -8.485 9.767 7.155 1.00 0.31 N ATOM 813 CA HIS A 43 -9.205 8.671 7.806 1.00 0.33 C ATOM 814 C HIS A 43 -10.417 9.221 8.539 1.00 0.45 C ATOM 815 O HIS A 43 -10.539 10.430 8.704 1.00 0.52 O ATOM 816 CB HIS A 43 -8.330 7.901 8.803 1.00 0.30 C ATOM 817 CG HIS A 43 -6.921 7.671 8.353 1.00 0.27 C ATOM 818 ND1 HIS A 43 -5.831 8.175 9.020 1.00 0.37 N ATOM 819 CD2 HIS A 43 -6.425 6.977 7.300 1.00 0.23 C ATOM 820 CE1 HIS A 43 -4.732 7.805 8.399 1.00 0.38 C ATOM 821 NE2 HIS A 43 -5.060 7.076 7.358 1.00 0.28 N ATOM 0 H HIS A 43 -8.470 10.636 7.689 1.00 0.31 H new ATOM 0 HA HIS A 43 -9.507 7.977 7.022 1.00 0.33 H new ATOM 0 HB2 HIS A 43 -8.311 8.447 9.746 1.00 0.30 H new ATOM 0 HB3 HIS A 43 -8.795 6.936 9.003 1.00 0.30 H new ATOM 0 HD2 HIS A 43 -6.998 6.446 6.555 1.00 0.23 H new ATOM 0 HE1 HIS A 43 -3.725 8.059 8.697 1.00 0.38 H new ATOM 0 HE2 HIS A 43 -4.406 6.653 6.700 1.00 0.28 H new ATOM 830 N ARG A 44 -11.310 8.340 8.973 1.00 0.52 N ATOM 831 CA ARG A 44 -12.506 8.770 9.697 1.00 0.70 C ATOM 832 C ARG A 44 -12.307 8.591 11.202 1.00 0.87 C ATOM 833 O ARG A 44 -11.463 9.264 11.799 1.00 1.74 O ATOM 834 CB ARG A 44 -13.740 8.008 9.207 1.00 0.99 C ATOM 835 CG ARG A 44 -14.049 8.245 7.737 1.00 1.38 C ATOM 836 CD ARG A 44 -15.356 7.594 7.313 1.00 1.75 C ATOM 837 NE ARG A 44 -15.331 6.141 7.471 1.00 2.71 N ATOM 838 CZ ARG A 44 -16.026 5.300 6.707 1.00 3.43 C ATOM 839 NH1 ARG A 44 -16.752 5.761 5.693 1.00 3.41 N ATOM 840 NH2 ARG A 44 -15.971 3.997 6.946 1.00 4.52 N ATOM 0 H ARG A 44 -11.233 7.332 8.839 1.00 0.52 H new ATOM 0 HA ARG A 44 -12.671 9.829 9.499 1.00 0.70 H new ATOM 0 HB2 ARG A 44 -13.589 6.941 9.372 1.00 0.99 H new ATOM 0 HB3 ARG A 44 -14.602 8.304 9.805 1.00 0.99 H new ATOM 0 HG2 ARG A 44 -14.100 9.317 7.546 1.00 1.38 H new ATOM 0 HG3 ARG A 44 -13.235 7.852 7.128 1.00 1.38 H new ATOM 0 HD2 ARG A 44 -16.173 8.007 7.904 1.00 1.75 H new ATOM 0 HD3 ARG A 44 -15.560 7.840 6.271 1.00 1.75 H new ATOM 0 HE ARG A 44 -14.747 5.748 8.209 1.00 2.71 H new ATOM 0 HH11 ARG A 44 -16.778 6.762 5.498 1.00 3.41 H new ATOM 0 HH12 ARG A 44 -17.283 5.114 5.110 1.00 3.41 H new ATOM 0 HH21 ARG A 44 -15.398 3.643 7.712 1.00 4.52 H new ATOM 0 HH22 ARG A 44 -16.501 3.349 6.364 1.00 4.52 H new ATOM 854 N LYS A 45 -13.073 7.696 11.824 1.00 0.90 N ATOM 855 CA LYS A 45 -12.837 7.354 13.221 1.00 0.97 C ATOM 856 C LYS A 45 -11.505 6.633 13.337 1.00 1.10 C ATOM 857 O LYS A 45 -10.554 7.135 13.938 1.00 2.07 O ATOM 858 CB LYS A 45 -13.946 6.455 13.779 1.00 1.13 C ATOM 859 CG LYS A 45 -13.738 6.097 15.243 1.00 1.58 C ATOM 860 CD LYS A 45 -14.417 4.789 15.620 1.00 2.14 C ATOM 861 CE LYS A 45 -15.928 4.871 15.480 1.00 2.99 C ATOM 862 NZ LYS A 45 -16.589 3.622 15.932 1.00 3.41 N ATOM 0 H LYS A 45 -13.851 7.202 11.388 1.00 0.90 H new ATOM 0 HA LYS A 45 -12.827 8.278 13.800 1.00 0.97 H new ATOM 0 HB2 LYS A 45 -14.906 6.959 13.666 1.00 1.13 H new ATOM 0 HB3 LYS A 45 -13.995 5.539 13.190 1.00 1.13 H new ATOM 0 HG2 LYS A 45 -12.670 6.022 15.448 1.00 1.58 H new ATOM 0 HG3 LYS A 45 -14.127 6.899 15.870 1.00 1.58 H new ATOM 0 HD2 LYS A 45 -14.037 3.988 14.986 1.00 2.14 H new ATOM 0 HD3 LYS A 45 -14.162 4.531 16.648 1.00 2.14 H new ATOM 0 HE2 LYS A 45 -16.302 5.713 16.063 1.00 2.99 H new ATOM 0 HE3 LYS A 45 -16.187 5.064 14.439 1.00 2.99 H new ATOM 0 HZ1 LYS A 45 -17.619 3.715 15.822 1.00 3.41 H new ATOM 0 HZ2 LYS A 45 -16.250 2.823 15.359 1.00 3.41 H new ATOM 0 HZ3 LYS A 45 -16.362 3.451 16.932 1.00 3.41 H new ATOM 876 N GLU A 46 -11.455 5.451 12.747 1.00 0.79 N ATOM 877 CA GLU A 46 -10.236 4.675 12.677 1.00 0.83 C ATOM 878 C GLU A 46 -9.584 4.905 11.324 1.00 0.92 C ATOM 879 O GLU A 46 -10.101 5.667 10.497 1.00 1.78 O ATOM 880 CB GLU A 46 -10.542 3.187 12.860 1.00 0.95 C ATOM 881 CG GLU A 46 -11.274 2.867 14.152 1.00 1.87 C ATOM 882 CD GLU A 46 -11.653 1.405 14.253 1.00 2.53 C ATOM 883 OE1 GLU A 46 -10.817 0.600 14.713 1.00 3.10 O ATOM 884 OE2 GLU A 46 -12.788 1.049 13.866 1.00 2.94 O ATOM 0 H GLU A 46 -12.259 5.006 12.305 1.00 0.79 H new ATOM 0 HA GLU A 46 -9.560 4.989 13.473 1.00 0.83 H new ATOM 0 HB2 GLU A 46 -11.143 2.843 12.018 1.00 0.95 H new ATOM 0 HB3 GLU A 46 -9.607 2.627 12.835 1.00 0.95 H new ATOM 0 HG2 GLU A 46 -10.644 3.136 15.000 1.00 1.87 H new ATOM 0 HG3 GLU A 46 -12.174 3.478 14.218 1.00 1.87 H new ATOM 891 N ILE A 47 -8.465 4.256 11.081 1.00 0.52 N ATOM 892 CA ILE A 47 -7.839 4.354 9.785 1.00 0.42 C ATOM 893 C ILE A 47 -8.509 3.389 8.819 1.00 0.37 C ATOM 894 O ILE A 47 -8.549 2.180 9.039 1.00 0.40 O ATOM 895 CB ILE A 47 -6.322 4.098 9.829 1.00 0.46 C ATOM 896 CG1 ILE A 47 -6.022 2.689 10.341 1.00 0.53 C ATOM 897 CG2 ILE A 47 -5.642 5.137 10.707 1.00 0.52 C ATOM 898 CD1 ILE A 47 -4.554 2.315 10.314 1.00 0.61 C ATOM 0 H ILE A 47 -7.978 3.664 11.754 1.00 0.52 H new ATOM 0 HA ILE A 47 -7.970 5.380 9.440 1.00 0.42 H new ATOM 0 HB ILE A 47 -5.929 4.181 8.816 1.00 0.46 H new ATOM 0 HG12 ILE A 47 -6.389 2.601 11.364 1.00 0.53 H new ATOM 0 HG13 ILE A 47 -6.579 1.970 9.740 1.00 0.53 H new ATOM 0 HG21 ILE A 47 -4.569 4.947 10.731 1.00 0.52 H new ATOM 0 HG22 ILE A 47 -5.825 6.132 10.301 1.00 0.52 H new ATOM 0 HG23 ILE A 47 -6.044 5.078 11.718 1.00 0.52 H new ATOM 0 HD11 ILE A 47 -4.430 1.301 10.693 1.00 0.61 H new ATOM 0 HD12 ILE A 47 -4.184 2.367 9.290 1.00 0.61 H new ATOM 0 HD13 ILE A 47 -3.991 3.008 10.939 1.00 0.61 H new ATOM 910 N TYR A 48 -9.061 3.939 7.763 1.00 0.32 N ATOM 911 CA TYR A 48 -9.796 3.155 6.793 1.00 0.30 C ATOM 912 C TYR A 48 -8.865 2.607 5.713 1.00 0.29 C ATOM 913 O TYR A 48 -9.269 1.840 4.847 1.00 0.30 O ATOM 914 CB TYR A 48 -10.952 3.988 6.222 1.00 0.29 C ATOM 915 CG TYR A 48 -10.571 5.210 5.413 1.00 0.27 C ATOM 916 CD1 TYR A 48 -9.600 5.159 4.427 1.00 0.24 C ATOM 917 CD2 TYR A 48 -11.243 6.406 5.606 1.00 0.32 C ATOM 918 CE1 TYR A 48 -9.303 6.264 3.657 1.00 0.23 C ATOM 919 CE2 TYR A 48 -10.948 7.521 4.848 1.00 0.33 C ATOM 920 CZ TYR A 48 -9.982 7.442 3.869 1.00 0.29 C ATOM 921 OH TYR A 48 -9.699 8.545 3.101 1.00 0.31 O ATOM 0 H TYR A 48 -9.015 4.936 7.551 1.00 0.32 H new ATOM 0 HA TYR A 48 -10.233 2.285 7.283 1.00 0.30 H new ATOM 0 HB2 TYR A 48 -11.561 3.339 5.593 1.00 0.29 H new ATOM 0 HB3 TYR A 48 -11.582 4.311 7.051 1.00 0.29 H new ATOM 0 HD1 TYR A 48 -9.065 4.236 4.258 1.00 0.24 H new ATOM 0 HD2 TYR A 48 -12.011 6.467 6.363 1.00 0.32 H new ATOM 0 HE1 TYR A 48 -8.542 6.205 2.893 1.00 0.23 H new ATOM 0 HE2 TYR A 48 -11.471 8.450 5.021 1.00 0.33 H new ATOM 0 HH TYR A 48 -10.268 9.292 3.380 1.00 0.31 H new ATOM 931 N LEU A 49 -7.605 3.020 5.784 1.00 0.29 N ATOM 932 CA LEU A 49 -6.625 2.712 4.763 1.00 0.29 C ATOM 933 C LEU A 49 -5.706 1.616 5.257 1.00 0.30 C ATOM 934 O LEU A 49 -5.831 0.461 4.855 1.00 0.36 O ATOM 935 CB LEU A 49 -5.815 3.964 4.419 1.00 0.36 C ATOM 936 CG LEU A 49 -6.203 4.657 3.115 1.00 0.40 C ATOM 937 CD1 LEU A 49 -5.629 6.063 3.072 1.00 0.60 C ATOM 938 CD2 LEU A 49 -5.707 3.848 1.928 1.00 0.67 C ATOM 0 H LEU A 49 -7.239 3.579 6.555 1.00 0.29 H new ATOM 0 HA LEU A 49 -7.138 2.370 3.864 1.00 0.29 H new ATOM 0 HB2 LEU A 49 -5.919 4.679 5.235 1.00 0.36 H new ATOM 0 HB3 LEU A 49 -4.761 3.691 4.366 1.00 0.36 H new ATOM 0 HG LEU A 49 -7.290 4.726 3.064 1.00 0.40 H new ATOM 0 HD11 LEU A 49 -5.914 6.544 2.136 1.00 0.60 H new ATOM 0 HD12 LEU A 49 -6.018 6.641 3.910 1.00 0.60 H new ATOM 0 HD13 LEU A 49 -4.542 6.014 3.138 1.00 0.60 H new ATOM 0 HD21 LEU A 49 -5.988 4.350 1.002 1.00 0.67 H new ATOM 0 HD22 LEU A 49 -4.622 3.758 1.977 1.00 0.67 H new ATOM 0 HD23 LEU A 49 -6.155 2.854 1.952 1.00 0.67 H new ATOM 950 N THR A 50 -4.784 1.988 6.138 1.00 0.31 N ATOM 951 CA THR A 50 -3.884 1.028 6.753 1.00 0.36 C ATOM 952 C THR A 50 -2.950 0.411 5.696 1.00 0.41 C ATOM 953 O THR A 50 -2.330 -0.623 5.912 1.00 0.75 O ATOM 954 CB THR A 50 -4.706 -0.067 7.469 1.00 0.41 C ATOM 955 OG1 THR A 50 -5.792 0.530 8.188 1.00 0.94 O ATOM 956 CG2 THR A 50 -3.849 -0.886 8.428 1.00 0.93 C ATOM 0 H THR A 50 -4.643 2.952 6.441 1.00 0.31 H new ATOM 0 HA THR A 50 -3.263 1.539 7.489 1.00 0.36 H new ATOM 0 HB THR A 50 -5.091 -0.741 6.704 1.00 0.41 H new ATOM 0 HG1 THR A 50 -6.310 -0.170 8.638 1.00 0.94 H new ATOM 0 HG21 THR A 50 -4.466 -1.644 8.910 1.00 0.93 H new ATOM 0 HG22 THR A 50 -3.045 -1.371 7.874 1.00 0.93 H new ATOM 0 HG23 THR A 50 -3.423 -0.229 9.186 1.00 0.93 H new ATOM 964 N ILE A 51 -2.859 1.061 4.534 1.00 0.34 N ATOM 965 CA ILE A 51 -1.940 0.625 3.488 1.00 0.38 C ATOM 966 C ILE A 51 -0.809 1.633 3.366 1.00 0.35 C ATOM 967 O ILE A 51 0.341 1.337 3.669 1.00 0.36 O ATOM 968 CB ILE A 51 -2.640 0.463 2.111 1.00 0.46 C ATOM 969 CG1 ILE A 51 -4.110 0.109 2.316 1.00 0.44 C ATOM 970 CG2 ILE A 51 -1.949 -0.622 1.303 1.00 0.61 C ATOM 971 CD1 ILE A 51 -4.925 0.081 1.042 1.00 0.83 C ATOM 0 H ILE A 51 -3.409 1.887 4.297 1.00 0.34 H new ATOM 0 HA ILE A 51 -1.556 -0.354 3.773 1.00 0.38 H new ATOM 0 HB ILE A 51 -2.575 1.404 1.565 1.00 0.46 H new ATOM 0 HG12 ILE A 51 -4.173 -0.868 2.796 1.00 0.44 H new ATOM 0 HG13 ILE A 51 -4.554 0.831 3.002 1.00 0.44 H new ATOM 0 HG21 ILE A 51 -2.446 -0.730 0.339 1.00 0.61 H new ATOM 0 HG22 ILE A 51 -0.906 -0.349 1.145 1.00 0.61 H new ATOM 0 HG23 ILE A 51 -1.999 -1.567 1.844 1.00 0.61 H new ATOM 0 HD11 ILE A 51 -5.957 -0.179 1.276 1.00 0.83 H new ATOM 0 HD12 ILE A 51 -4.896 1.063 0.570 1.00 0.83 H new ATOM 0 HD13 ILE A 51 -4.510 -0.662 0.361 1.00 0.83 H new ATOM 983 N GLN A 52 -1.154 2.852 2.971 1.00 0.36 N ATOM 984 CA GLN A 52 -0.161 3.912 2.841 1.00 0.39 C ATOM 985 C GLN A 52 0.096 4.600 4.164 1.00 0.38 C ATOM 986 O GLN A 52 0.907 5.513 4.243 1.00 0.53 O ATOM 987 CB GLN A 52 -0.594 4.947 1.813 1.00 0.47 C ATOM 988 CG GLN A 52 -1.932 5.602 2.121 1.00 0.60 C ATOM 989 CD GLN A 52 -2.361 6.560 1.031 1.00 0.85 C ATOM 990 OE1 GLN A 52 -1.992 6.393 -0.131 1.00 0.89 O ATOM 991 NE2 GLN A 52 -3.125 7.571 1.390 1.00 1.32 N ATOM 0 H GLN A 52 -2.107 3.131 2.736 1.00 0.36 H new ATOM 0 HA GLN A 52 0.762 3.439 2.507 1.00 0.39 H new ATOM 0 HB2 GLN A 52 0.171 5.721 1.747 1.00 0.47 H new ATOM 0 HB3 GLN A 52 -0.651 4.470 0.834 1.00 0.47 H new ATOM 0 HG2 GLN A 52 -2.692 4.831 2.245 1.00 0.60 H new ATOM 0 HG3 GLN A 52 -1.863 6.138 3.068 1.00 0.60 H new ATOM 0 HE21 GLN A 52 -3.410 7.674 2.364 1.00 1.32 H new ATOM 0 HE22 GLN A 52 -3.432 8.250 0.694 1.00 1.32 H new ATOM 1000 N GLU A 53 -0.601 4.166 5.190 1.00 0.31 N ATOM 1001 CA GLU A 53 -0.388 4.709 6.511 1.00 0.32 C ATOM 1002 C GLU A 53 0.634 3.837 7.228 1.00 0.32 C ATOM 1003 O GLU A 53 1.467 4.322 7.991 1.00 0.39 O ATOM 1004 CB GLU A 53 -1.731 4.806 7.237 1.00 0.39 C ATOM 1005 CG GLU A 53 -1.938 3.862 8.403 1.00 0.66 C ATOM 1006 CD GLU A 53 -1.630 4.512 9.739 1.00 1.13 C ATOM 1007 OE1 GLU A 53 -2.375 5.414 10.156 1.00 1.89 O ATOM 1008 OE2 GLU A 53 -0.638 4.109 10.385 1.00 1.41 O ATOM 0 H GLU A 53 -1.317 3.442 5.135 1.00 0.31 H new ATOM 0 HA GLU A 53 0.017 5.720 6.476 1.00 0.32 H new ATOM 0 HB2 GLU A 53 -1.850 5.827 7.599 1.00 0.39 H new ATOM 0 HB3 GLU A 53 -2.525 4.631 6.511 1.00 0.39 H new ATOM 0 HG2 GLU A 53 -2.970 3.511 8.403 1.00 0.66 H new ATOM 0 HG3 GLU A 53 -1.303 2.986 8.274 1.00 0.66 H new ATOM 1015 N GLU A 54 0.572 2.541 6.931 1.00 0.33 N ATOM 1016 CA GLU A 54 1.631 1.611 7.286 1.00 0.39 C ATOM 1017 C GLU A 54 2.892 1.983 6.524 1.00 0.43 C ATOM 1018 O GLU A 54 3.985 2.076 7.083 1.00 0.54 O ATOM 1019 CB GLU A 54 1.223 0.186 6.906 1.00 0.47 C ATOM 1020 CG GLU A 54 0.203 -0.440 7.844 1.00 0.56 C ATOM 1021 CD GLU A 54 0.674 -0.479 9.283 1.00 1.15 C ATOM 1022 OE1 GLU A 54 1.473 -1.365 9.624 1.00 1.46 O ATOM 1023 OE2 GLU A 54 0.245 0.384 10.082 1.00 1.84 O ATOM 0 H GLU A 54 -0.212 2.111 6.440 1.00 0.33 H new ATOM 0 HA GLU A 54 1.810 1.661 8.360 1.00 0.39 H new ATOM 0 HB2 GLU A 54 0.814 0.194 5.896 1.00 0.47 H new ATOM 0 HB3 GLU A 54 2.114 -0.442 6.884 1.00 0.47 H new ATOM 0 HG2 GLU A 54 -0.729 0.122 7.787 1.00 0.56 H new ATOM 0 HG3 GLU A 54 -0.016 -1.454 7.511 1.00 0.56 H new ATOM 1030 N ASN A 55 2.704 2.200 5.232 1.00 0.41 N ATOM 1031 CA ASN A 55 3.782 2.575 4.341 1.00 0.50 C ATOM 1032 C ASN A 55 4.059 4.066 4.414 1.00 0.57 C ATOM 1033 O ASN A 55 4.660 4.532 5.380 1.00 1.17 O ATOM 1034 CB ASN A 55 3.425 2.153 2.911 1.00 0.62 C ATOM 1035 CG ASN A 55 4.378 2.671 1.847 1.00 1.36 C ATOM 1036 OD1 ASN A 55 3.980 2.919 0.713 1.00 1.97 O ATOM 1037 ND2 ASN A 55 5.629 2.847 2.211 1.00 1.85 N ATOM 0 H ASN A 55 1.796 2.120 4.774 1.00 0.41 H new ATOM 0 HA ASN A 55 4.693 2.062 4.650 1.00 0.50 H new ATOM 0 HB2 ASN A 55 3.402 1.064 2.862 1.00 0.62 H new ATOM 0 HB3 ASN A 55 2.419 2.504 2.682 1.00 0.62 H new ATOM 0 HD21 ASN A 55 6.310 3.202 1.540 1.00 1.85 H new ATOM 0 HD22 ASN A 55 5.918 2.628 3.164 1.00 1.85 H new ATOM 1044 N ASN A 56 3.622 4.802 3.382 1.00 0.67 N ATOM 1045 CA ASN A 56 3.963 6.210 3.200 1.00 0.75 C ATOM 1046 C ASN A 56 5.464 6.378 2.933 1.00 0.99 C ATOM 1047 O ASN A 56 5.872 7.064 1.995 1.00 1.50 O ATOM 1048 CB ASN A 56 3.561 7.001 4.433 1.00 0.71 C ATOM 1049 CG ASN A 56 3.402 8.483 4.157 1.00 0.84 C ATOM 1050 OD1 ASN A 56 4.028 9.028 3.250 1.00 1.28 O ATOM 1051 ND2 ASN A 56 2.554 9.143 4.926 1.00 0.91 N ATOM 0 H ASN A 56 3.019 4.430 2.649 1.00 0.67 H new ATOM 0 HA ASN A 56 3.418 6.589 2.335 1.00 0.75 H new ATOM 0 HB2 ASN A 56 2.622 6.606 4.822 1.00 0.71 H new ATOM 0 HB3 ASN A 56 4.312 6.860 5.210 1.00 0.71 H new ATOM 0 HD21 ASN A 56 2.400 10.140 4.777 1.00 0.91 H new ATOM 0 HD22 ASN A 56 2.053 8.655 5.669 1.00 0.91 H new ATOM 1058 N ARG A 57 6.263 5.730 3.765 1.00 0.90 N ATOM 1059 CA ARG A 57 7.712 5.814 3.725 1.00 1.15 C ATOM 1060 C ARG A 57 8.343 4.450 3.409 1.00 1.21 C ATOM 1061 O ARG A 57 8.827 4.227 2.299 1.00 1.44 O ATOM 1062 CB ARG A 57 8.200 6.327 5.080 1.00 1.31 C ATOM 1063 CG ARG A 57 7.446 5.701 6.243 1.00 1.31 C ATOM 1064 CD ARG A 57 7.918 6.218 7.587 1.00 1.43 C ATOM 1065 NE ARG A 57 9.330 5.925 7.829 1.00 1.97 N ATOM 1066 CZ ARG A 57 9.912 6.007 9.026 1.00 2.54 C ATOM 1067 NH1 ARG A 57 9.210 6.371 10.091 1.00 2.69 N ATOM 1068 NH2 ARG A 57 11.202 5.730 9.155 1.00 3.47 N ATOM 0 H ARG A 57 5.914 5.118 4.502 1.00 0.90 H new ATOM 0 HA ARG A 57 8.012 6.498 2.931 1.00 1.15 H new ATOM 0 HB2 ARG A 57 9.264 6.115 5.184 1.00 1.31 H new ATOM 0 HB3 ARG A 57 8.086 7.410 5.118 1.00 1.31 H new ATOM 0 HG2 ARG A 57 6.381 5.905 6.133 1.00 1.31 H new ATOM 0 HG3 ARG A 57 7.569 4.618 6.210 1.00 1.31 H new ATOM 0 HD2 ARG A 57 7.759 7.295 7.636 1.00 1.43 H new ATOM 0 HD3 ARG A 57 7.316 5.771 8.378 1.00 1.43 H new ATOM 0 HE ARG A 57 9.904 5.641 7.035 1.00 1.97 H new ATOM 0 HH11 ARG A 57 8.218 6.590 9.998 1.00 2.69 H new ATOM 0 HH12 ARG A 57 9.662 6.432 11.003 1.00 2.69 H new ATOM 0 HH21 ARG A 57 11.749 5.454 8.339 1.00 3.47 H new ATOM 0 HH22 ARG A 57 11.648 5.792 10.070 1.00 3.47 H new ATOM 1082 N ALA A 58 8.295 3.525 4.370 1.00 1.14 N ATOM 1083 CA ALA A 58 9.011 2.256 4.258 1.00 1.28 C ATOM 1084 C ALA A 58 8.106 1.136 3.756 1.00 1.15 C ATOM 1085 O ALA A 58 7.673 0.271 4.517 1.00 1.52 O ATOM 1086 CB ALA A 58 9.635 1.879 5.592 1.00 1.91 C ATOM 0 H ALA A 58 7.766 3.633 5.236 1.00 1.14 H new ATOM 0 HA ALA A 58 9.804 2.390 3.522 1.00 1.28 H new ATOM 0 HB1 ALA A 58 10.164 0.932 5.491 1.00 1.91 H new ATOM 0 HB2 ALA A 58 10.336 2.656 5.898 1.00 1.91 H new ATOM 0 HB3 ALA A 58 8.853 1.779 6.344 1.00 1.91 H new ATOM 1092 N ALA A 59 7.778 1.204 2.479 1.00 1.24 N ATOM 1093 CA ALA A 59 7.016 0.152 1.808 1.00 1.70 C ATOM 1094 C ALA A 59 7.730 -1.198 1.835 1.00 1.52 C ATOM 1095 O ALA A 59 8.961 -1.269 1.911 1.00 1.54 O ATOM 1096 CB ALA A 59 6.743 0.547 0.364 1.00 2.43 C ATOM 0 H ALA A 59 8.029 1.986 1.874 1.00 1.24 H new ATOM 0 HA ALA A 59 6.079 0.042 2.355 1.00 1.70 H new ATOM 0 HB1 ALA A 59 6.175 -0.243 -0.128 1.00 2.43 H new ATOM 0 HB2 ALA A 59 6.170 1.474 0.342 1.00 2.43 H new ATOM 0 HB3 ALA A 59 7.689 0.693 -0.158 1.00 2.43 H new ATOM 1102 N ALA A 60 6.936 -2.260 1.766 1.00 1.85 N ATOM 1103 CA ALA A 60 7.443 -3.621 1.646 1.00 1.85 C ATOM 1104 C ALA A 60 6.744 -4.313 0.479 1.00 2.49 C ATOM 1105 O ALA A 60 5.594 -3.999 0.176 1.00 3.18 O ATOM 1106 CB ALA A 60 7.216 -4.392 2.938 1.00 2.34 C ATOM 0 H ALA A 60 5.918 -2.201 1.792 1.00 1.85 H new ATOM 0 HA ALA A 60 8.516 -3.592 1.459 1.00 1.85 H new ATOM 0 HB1 ALA A 60 7.601 -5.406 2.829 1.00 2.34 H new ATOM 0 HB2 ALA A 60 7.735 -3.892 3.756 1.00 2.34 H new ATOM 0 HB3 ALA A 60 6.149 -4.431 3.156 1.00 2.34 H new ATOM 1112 N LEU A 61 7.428 -5.245 -0.172 1.00 2.99 N ATOM 1113 CA LEU A 61 6.887 -5.871 -1.377 1.00 4.03 C ATOM 1114 C LEU A 61 6.840 -7.392 -1.257 1.00 4.34 C ATOM 1115 O LEU A 61 7.393 -7.964 -0.316 1.00 4.63 O ATOM 1116 CB LEU A 61 7.725 -5.476 -2.601 1.00 5.03 C ATOM 1117 CG LEU A 61 7.746 -3.982 -2.930 1.00 5.72 C ATOM 1118 CD1 LEU A 61 8.672 -3.711 -4.105 1.00 6.55 C ATOM 1119 CD2 LEU A 61 6.341 -3.482 -3.237 1.00 6.16 C ATOM 0 H LEU A 61 8.349 -5.583 0.108 1.00 2.99 H new ATOM 0 HA LEU A 61 5.865 -5.512 -1.499 1.00 4.03 H new ATOM 0 HB2 LEU A 61 8.750 -5.809 -2.441 1.00 5.03 H new ATOM 0 HB3 LEU A 61 7.346 -6.016 -3.469 1.00 5.03 H new ATOM 0 HG LEU A 61 8.121 -3.444 -2.060 1.00 5.72 H new ATOM 0 HD11 LEU A 61 8.676 -2.644 -4.327 1.00 6.55 H new ATOM 0 HD12 LEU A 61 9.683 -4.033 -3.854 1.00 6.55 H new ATOM 0 HD13 LEU A 61 8.322 -4.262 -4.978 1.00 6.55 H new ATOM 0 HD21 LEU A 61 6.376 -2.417 -3.469 1.00 6.16 H new ATOM 0 HD22 LEU A 61 5.940 -4.026 -4.092 1.00 6.16 H new ATOM 0 HD23 LEU A 61 5.700 -3.644 -2.371 1.00 6.16 H new ATOM 1131 N SER A 62 6.158 -8.016 -2.222 1.00 4.74 N ATOM 1132 CA SER A 62 6.078 -9.471 -2.375 1.00 5.35 C ATOM 1133 C SER A 62 5.752 -10.219 -1.080 1.00 5.02 C ATOM 1134 O SER A 62 4.585 -10.443 -0.781 1.00 5.49 O ATOM 1135 CB SER A 62 7.383 -9.983 -2.973 1.00 6.13 C ATOM 1136 OG SER A 62 7.691 -9.301 -4.178 1.00 6.82 O ATOM 0 H SER A 62 5.633 -7.510 -2.936 1.00 4.74 H new ATOM 0 HA SER A 62 5.241 -9.673 -3.044 1.00 5.35 H new ATOM 0 HB2 SER A 62 8.193 -9.848 -2.257 1.00 6.13 H new ATOM 0 HB3 SER A 62 7.304 -11.053 -3.166 1.00 6.13 H new ATOM 0 HG SER A 62 8.533 -9.645 -4.543 1.00 6.82 H new ATOM 1142 N SER A 63 6.788 -10.555 -0.308 1.00 4.58 N ATOM 1143 CA SER A 63 6.682 -11.474 0.829 1.00 4.63 C ATOM 1144 C SER A 63 5.685 -11.016 1.894 1.00 4.13 C ATOM 1145 O SER A 63 5.364 -11.782 2.801 1.00 4.53 O ATOM 1146 CB SER A 63 8.063 -11.655 1.456 1.00 5.39 C ATOM 1147 OG SER A 63 9.007 -12.099 0.492 1.00 6.30 O ATOM 0 H SER A 63 7.731 -10.195 -0.455 1.00 4.58 H new ATOM 0 HA SER A 63 6.302 -12.419 0.441 1.00 4.63 H new ATOM 0 HB2 SER A 63 8.396 -10.712 1.888 1.00 5.39 H new ATOM 0 HB3 SER A 63 8.004 -12.376 2.271 1.00 5.39 H new ATOM 0 HG SER A 63 9.883 -12.206 0.917 1.00 6.30 H new ATOM 1153 N ASP A 64 5.219 -9.769 1.795 1.00 3.70 N ATOM 1154 CA ASP A 64 4.186 -9.256 2.694 1.00 3.78 C ATOM 1155 C ASP A 64 4.694 -9.284 4.125 1.00 3.64 C ATOM 1156 O ASP A 64 3.948 -9.497 5.078 1.00 4.24 O ATOM 1157 CB ASP A 64 2.908 -10.098 2.545 1.00 4.76 C ATOM 1158 CG ASP A 64 1.642 -9.338 2.887 1.00 5.44 C ATOM 1159 OD1 ASP A 64 1.175 -8.533 2.060 1.00 5.83 O ATOM 1160 OD2 ASP A 64 1.138 -9.512 4.020 1.00 5.89 O ATOM 0 H ASP A 64 5.542 -9.096 1.100 1.00 3.70 H new ATOM 0 HA ASP A 64 3.950 -8.224 2.434 1.00 3.78 H new ATOM 0 HB2 ASP A 64 2.839 -10.461 1.520 1.00 4.76 H new ATOM 0 HB3 ASP A 64 2.982 -10.974 3.189 1.00 4.76 H new ATOM 1165 N VAL A 65 5.989 -9.039 4.250 1.00 3.46 N ATOM 1166 CA VAL A 65 6.665 -9.027 5.536 1.00 4.03 C ATOM 1167 C VAL A 65 6.136 -7.905 6.416 1.00 4.57 C ATOM 1168 O VAL A 65 6.227 -7.969 7.640 1.00 5.28 O ATOM 1169 CB VAL A 65 8.166 -8.780 5.355 1.00 4.22 C ATOM 1170 CG1 VAL A 65 8.934 -9.031 6.646 1.00 5.28 C ATOM 1171 CG2 VAL A 65 8.729 -9.616 4.221 1.00 4.30 C ATOM 0 H VAL A 65 6.602 -8.842 3.459 1.00 3.46 H new ATOM 0 HA VAL A 65 6.483 -9.997 5.999 1.00 4.03 H new ATOM 0 HB VAL A 65 8.291 -7.729 5.093 1.00 4.22 H new ATOM 0 HG11 VAL A 65 9.995 -8.846 6.480 1.00 5.28 H new ATOM 0 HG12 VAL A 65 8.566 -8.362 7.424 1.00 5.28 H new ATOM 0 HG13 VAL A 65 8.791 -10.065 6.959 1.00 5.28 H new ATOM 0 HG21 VAL A 65 9.796 -9.418 4.118 1.00 4.30 H new ATOM 0 HG22 VAL A 65 8.575 -10.673 4.437 1.00 4.30 H new ATOM 0 HG23 VAL A 65 8.221 -9.358 3.292 1.00 4.30 H new ATOM 1181 N ILE A 66 5.614 -6.865 5.761 1.00 4.67 N ATOM 1182 CA ILE A 66 5.169 -5.636 6.422 1.00 5.63 C ATOM 1183 C ILE A 66 6.371 -4.755 6.756 1.00 5.81 C ATOM 1184 O ILE A 66 6.340 -3.546 6.531 1.00 6.55 O ATOM 1185 CB ILE A 66 4.340 -5.912 7.699 1.00 6.56 C ATOM 1186 CG1 ILE A 66 3.242 -6.934 7.397 1.00 6.73 C ATOM 1187 CG2 ILE A 66 3.730 -4.621 8.222 1.00 7.45 C ATOM 1188 CD1 ILE A 66 2.531 -7.447 8.629 1.00 7.56 C ATOM 0 H ILE A 66 5.487 -6.852 4.749 1.00 4.67 H new ATOM 0 HA ILE A 66 4.514 -5.116 5.723 1.00 5.63 H new ATOM 0 HB ILE A 66 4.999 -6.318 8.466 1.00 6.56 H new ATOM 0 HG12 ILE A 66 2.510 -6.480 6.729 1.00 6.73 H new ATOM 0 HG13 ILE A 66 3.680 -7.778 6.864 1.00 6.73 H new ATOM 0 HG21 ILE A 66 3.150 -4.831 9.121 1.00 7.45 H new ATOM 0 HG22 ILE A 66 4.524 -3.914 8.460 1.00 7.45 H new ATOM 0 HG23 ILE A 66 3.078 -4.192 7.461 1.00 7.45 H new ATOM 0 HD11 ILE A 66 1.767 -8.167 8.335 1.00 7.56 H new ATOM 0 HD12 ILE A 66 3.251 -7.931 9.289 1.00 7.56 H new ATOM 0 HD13 ILE A 66 2.062 -6.614 9.152 1.00 7.56 H new ATOM 1200 N SER A 67 7.436 -5.389 7.260 1.00 5.44 N ATOM 1201 CA SER A 67 8.693 -4.722 7.588 1.00 5.98 C ATOM 1202 C SER A 67 8.540 -3.767 8.771 1.00 7.11 C ATOM 1203 O SER A 67 9.068 -4.026 9.856 1.00 7.59 O ATOM 1204 CB SER A 67 9.237 -4.004 6.355 1.00 6.10 C ATOM 1205 OG SER A 67 9.604 -4.938 5.352 1.00 6.60 O ATOM 0 H SER A 67 7.445 -6.391 7.452 1.00 5.44 H new ATOM 0 HA SER A 67 9.412 -5.481 7.895 1.00 5.98 H new ATOM 0 HB2 SER A 67 8.483 -3.320 5.964 1.00 6.10 H new ATOM 0 HB3 SER A 67 10.102 -3.401 6.631 1.00 6.10 H new ATOM 0 HG SER A 67 9.949 -4.459 4.569 1.00 6.60 H new ATOM 1211 N ALA A 68 7.818 -2.674 8.572 1.00 7.74 N ATOM 1212 CA ALA A 68 7.531 -1.753 9.655 1.00 8.91 C ATOM 1213 C ALA A 68 6.347 -2.271 10.444 1.00 9.09 C ATOM 1214 O ALA A 68 5.250 -2.394 9.908 1.00 8.87 O ATOM 1215 CB ALA A 68 7.250 -0.361 9.109 1.00 9.69 C ATOM 0 H ALA A 68 7.422 -2.406 7.671 1.00 7.74 H new ATOM 0 HA ALA A 68 8.397 -1.683 10.313 1.00 8.91 H new ATOM 0 HB1 ALA A 68 7.037 0.318 9.935 1.00 9.69 H new ATOM 0 HB2 ALA A 68 8.121 -0.003 8.561 1.00 9.69 H new ATOM 0 HB3 ALA A 68 6.391 -0.399 8.440 1.00 9.69 H new ATOM 1221 N LEU A 69 6.581 -2.576 11.716 1.00 9.69 N ATOM 1222 CA LEU A 69 5.552 -3.141 12.578 1.00 10.15 C ATOM 1223 C LEU A 69 4.989 -4.423 11.965 1.00 9.38 C ATOM 1224 O LEU A 69 3.781 -4.582 11.815 1.00 9.52 O ATOM 1225 CB LEU A 69 4.443 -2.114 12.821 1.00 10.80 C ATOM 1226 CG LEU A 69 4.928 -0.792 13.415 1.00 11.70 C ATOM 1227 CD1 LEU A 69 3.782 0.200 13.521 1.00 12.35 C ATOM 1228 CD2 LEU A 69 5.559 -1.020 14.780 1.00 12.59 C ATOM 0 H LEU A 69 7.482 -2.440 12.174 1.00 9.69 H new ATOM 0 HA LEU A 69 5.997 -3.395 13.540 1.00 10.15 H new ATOM 0 HB2 LEU A 69 3.939 -1.911 11.876 1.00 10.80 H new ATOM 0 HB3 LEU A 69 3.701 -2.549 13.491 1.00 10.80 H new ATOM 0 HG LEU A 69 5.684 -0.375 12.749 1.00 11.70 H new ATOM 0 HD11 LEU A 69 4.148 1.135 13.946 1.00 12.35 H new ATOM 0 HD12 LEU A 69 3.371 0.389 12.529 1.00 12.35 H new ATOM 0 HD13 LEU A 69 3.003 -0.211 14.164 1.00 12.35 H new ATOM 0 HD21 LEU A 69 5.898 -0.068 15.188 1.00 12.59 H new ATOM 0 HD22 LEU A 69 4.823 -1.461 15.452 1.00 12.59 H new ATOM 0 HD23 LEU A 69 6.409 -1.695 14.680 1.00 12.59 H new ATOM 1240 N SER A 70 5.891 -5.340 11.626 1.00 8.79 N ATOM 1241 CA SER A 70 5.516 -6.621 11.040 1.00 8.22 C ATOM 1242 C SER A 70 4.593 -7.392 11.984 1.00 8.84 C ATOM 1243 O SER A 70 3.776 -8.206 11.552 1.00 8.93 O ATOM 1244 CB SER A 70 6.777 -7.437 10.745 1.00 8.19 C ATOM 1245 OG SER A 70 6.462 -8.704 10.191 1.00 7.74 O ATOM 0 H SER A 70 6.896 -5.216 11.749 1.00 8.79 H new ATOM 0 HA SER A 70 4.978 -6.442 10.109 1.00 8.22 H new ATOM 0 HB2 SER A 70 7.414 -6.885 10.054 1.00 8.19 H new ATOM 0 HB3 SER A 70 7.346 -7.573 11.664 1.00 8.19 H new ATOM 0 HG SER A 70 6.120 -8.587 9.280 1.00 7.74 H new ATOM 1251 N SER A 71 4.724 -7.129 13.274 1.00 9.47 N ATOM 1252 CA SER A 71 3.869 -7.756 14.262 1.00 10.26 C ATOM 1253 C SER A 71 2.766 -6.791 14.693 1.00 10.85 C ATOM 1254 O SER A 71 2.391 -6.737 15.864 1.00 11.64 O ATOM 1255 CB SER A 71 4.703 -8.200 15.465 1.00 11.01 C ATOM 1256 OG SER A 71 5.725 -9.103 15.067 1.00 11.01 O ATOM 0 H SER A 71 5.415 -6.485 13.659 1.00 9.47 H new ATOM 0 HA SER A 71 3.399 -8.636 13.822 1.00 10.26 H new ATOM 0 HB2 SER A 71 5.149 -7.329 15.945 1.00 11.01 H new ATOM 0 HB3 SER A 71 4.058 -8.676 16.204 1.00 11.01 H new ATOM 0 HG SER A 71 6.247 -9.373 15.851 1.00 11.01 H new ATOM 1262 N GLN A 72 2.259 -6.027 13.724 1.00 10.63 N ATOM 1263 CA GLN A 72 1.144 -5.114 13.951 1.00 11.35 C ATOM 1264 C GLN A 72 -0.043 -5.858 14.554 1.00 12.08 C ATOM 1265 O GLN A 72 -0.519 -6.854 14.001 1.00 12.07 O ATOM 1266 CB GLN A 72 0.744 -4.424 12.641 1.00 11.11 C ATOM 1267 CG GLN A 72 0.514 -5.385 11.479 1.00 10.22 C ATOM 1268 CD GLN A 72 0.039 -4.683 10.217 1.00 10.42 C ATOM 1269 OE1 GLN A 72 0.294 -5.145 9.107 1.00 10.46 O ATOM 1270 NE2 GLN A 72 -0.662 -3.573 10.374 1.00 10.77 N ATOM 0 H GLN A 72 2.609 -6.025 12.766 1.00 10.63 H new ATOM 0 HA GLN A 72 1.461 -4.349 14.659 1.00 11.35 H new ATOM 0 HB2 GLN A 72 -0.166 -3.848 12.809 1.00 11.11 H new ATOM 0 HB3 GLN A 72 1.523 -3.714 12.363 1.00 11.11 H new ATOM 0 HG2 GLN A 72 1.441 -5.918 11.266 1.00 10.22 H new ATOM 0 HG3 GLN A 72 -0.223 -6.132 11.772 1.00 10.22 H new ATOM 0 HE21 GLN A 72 -0.854 -3.219 11.311 1.00 10.77 H new ATOM 0 HE22 GLN A 72 -1.011 -3.070 9.558 1.00 10.77 H new ATOM 1279 N LYS A 73 -0.499 -5.379 15.699 1.00 12.85 N ATOM 1280 CA LYS A 73 -1.543 -6.050 16.445 1.00 13.68 C ATOM 1281 C LYS A 73 -2.892 -5.357 16.280 1.00 14.18 C ATOM 1282 O LYS A 73 -2.993 -4.130 16.347 1.00 14.47 O ATOM 1283 CB LYS A 73 -1.161 -6.135 17.931 1.00 14.41 C ATOM 1284 CG LYS A 73 -1.097 -4.797 18.665 1.00 14.85 C ATOM 1285 CD LYS A 73 0.150 -4.008 18.298 1.00 14.25 C ATOM 1286 CE LYS A 73 0.217 -2.681 19.039 1.00 14.52 C ATOM 1287 NZ LYS A 73 0.269 -2.869 20.513 1.00 14.92 N ATOM 0 H LYS A 73 -0.158 -4.521 16.132 1.00 12.85 H new ATOM 0 HA LYS A 73 -1.643 -7.058 16.043 1.00 13.68 H new ATOM 0 HB2 LYS A 73 -1.882 -6.775 18.439 1.00 14.41 H new ATOM 0 HB3 LYS A 73 -0.189 -6.622 18.012 1.00 14.41 H new ATOM 0 HG2 LYS A 73 -1.983 -4.209 18.425 1.00 14.85 H new ATOM 0 HG3 LYS A 73 -1.112 -4.972 19.741 1.00 14.85 H new ATOM 0 HD2 LYS A 73 1.036 -4.599 18.530 1.00 14.25 H new ATOM 0 HD3 LYS A 73 0.162 -3.825 17.223 1.00 14.25 H new ATOM 0 HE2 LYS A 73 1.097 -2.127 18.713 1.00 14.52 H new ATOM 0 HE3 LYS A 73 -0.653 -2.077 18.781 1.00 14.52 H new ATOM 0 HZ1 LYS A 73 0.550 -1.977 20.967 1.00 14.92 H new ATOM 0 HZ2 LYS A 73 -0.669 -3.154 20.860 1.00 14.92 H new ATOM 0 HZ3 LYS A 73 0.963 -3.608 20.744 1.00 14.92 H new ATOM 1301 N LYS A 74 -3.917 -6.159 16.045 1.00 14.42 N ATOM 1302 CA LYS A 74 -5.285 -5.674 16.003 1.00 15.05 C ATOM 1303 C LYS A 74 -6.196 -6.660 16.716 1.00 16.04 C ATOM 1304 O LYS A 74 -6.714 -7.585 16.052 1.00 16.42 O ATOM 1305 CB LYS A 74 -5.769 -5.466 14.564 1.00 14.62 C ATOM 1306 CG LYS A 74 -5.130 -4.284 13.848 1.00 13.81 C ATOM 1307 CD LYS A 74 -5.810 -4.024 12.512 1.00 13.84 C ATOM 1308 CE LYS A 74 -7.291 -3.724 12.692 1.00 13.62 C ATOM 1309 NZ LYS A 74 -8.004 -3.602 11.394 1.00 13.67 N ATOM 1310 OXT LYS A 74 -6.377 -6.524 17.942 1.00 16.53 O ATOM 0 H LYS A 74 -3.824 -7.161 15.879 1.00 14.42 H new ATOM 0 HA LYS A 74 -5.316 -4.708 16.506 1.00 15.05 H new ATOM 0 HB2 LYS A 74 -5.569 -6.372 13.992 1.00 14.62 H new ATOM 0 HB3 LYS A 74 -6.850 -5.327 14.574 1.00 14.62 H new ATOM 0 HG2 LYS A 74 -5.198 -3.394 14.474 1.00 13.81 H new ATOM 0 HG3 LYS A 74 -4.070 -4.481 13.688 1.00 13.81 H new ATOM 0 HD2 LYS A 74 -5.325 -3.185 12.013 1.00 13.84 H new ATOM 0 HD3 LYS A 74 -5.689 -4.893 11.865 1.00 13.84 H new ATOM 0 HE2 LYS A 74 -7.751 -4.516 13.283 1.00 13.62 H new ATOM 0 HE3 LYS A 74 -7.406 -2.798 13.255 1.00 13.62 H new ATOM 0 HZ1 LYS A 74 -9.009 -3.398 11.568 1.00 13.67 H new ATOM 0 HZ2 LYS A 74 -7.584 -2.829 10.839 1.00 13.67 H new ATOM 0 HZ3 LYS A 74 -7.918 -4.494 10.866 1.00 13.67 H new TER 1324 LYS A 74