USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 591 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 36 SER OG : rot 180:sc= -0.0476 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -139:sc= 1.23 (180deg=1.03) USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.451 K(o=1.7,f=-2.8!) USER MOD Set 2.2: A 61 THR OG1 : rot -163:sc= 1.27 USER MOD Set 3.1: A 24 SER OG : rot -96:sc= 0.813 USER MOD Set 3.2: A 27 THR OG1 : rot -39:sc= 1.11 USER MOD Set 3.3: A 28 LYS NZ :NH3+ 172:sc= 1.89 (180deg=0.822) USER MOD Set 4.1: A 13 MET CE :methyl 155:sc= -2.14 (180deg=-2.26) USER MOD Set 4.2: A 42 ASN : amide:sc= 0.999 K(o=-1.1,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.23 (180deg=1) USER MOD Single : A 14 THR OG1 : rot -33:sc= 0.523 USER MOD Single : A 17 SER OG : rot 100:sc= 0.417 USER MOD Single : A 20 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 100:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -60:sc= -0.847 USER MOD Single : A 41 THR OG1 : rot -160:sc= 0.0109 USER MOD Single : A 45 HIS : no HE2:sc= 0.533 K(o=0.53,f=-6.1!) USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 1.24 (180deg=0.74) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.458 K(o=0.46,f=-4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 10:sc= 0.812 USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.391 -16.079 -5.617 1.00 6.31 N ATOM 2 CA MET A 1 -8.841 -17.050 -6.579 1.00 5.68 C ATOM 3 C MET A 1 -7.353 -17.131 -6.270 1.00 4.31 C ATOM 4 O MET A 1 -6.995 -17.739 -5.267 1.00 4.19 O ATOM 5 CB MET A 1 -9.153 -16.652 -8.031 1.00 6.79 C ATOM 6 CG MET A 1 -10.624 -16.903 -8.384 1.00 8.23 C ATOM 7 SD MET A 1 -11.081 -16.398 -10.060 1.00 10.02 S ATOM 8 CE MET A 1 -12.816 -16.901 -10.075 1.00 11.53 C ATOM 0 H1 MET A 1 -10.165 -15.548 -6.064 1.00 6.31 H new ATOM 0 H2 MET A 1 -9.754 -16.584 -4.783 1.00 6.31 H new ATOM 0 H3 MET A 1 -8.643 -15.419 -5.324 1.00 6.31 H new ATOM 0 HA MET A 1 -9.298 -18.034 -6.478 1.00 5.68 H new ATOM 0 HB2 MET A 1 -8.918 -15.598 -8.178 1.00 6.79 H new ATOM 0 HB3 MET A 1 -8.514 -17.218 -8.709 1.00 6.79 H new ATOM 0 HG2 MET A 1 -10.838 -17.965 -8.265 1.00 8.23 H new ATOM 0 HG3 MET A 1 -11.253 -16.369 -7.672 1.00 8.23 H new ATOM 0 HE1 MET A 1 -13.256 -16.661 -11.043 1.00 11.53 H new ATOM 0 HE2 MET A 1 -12.885 -17.975 -9.901 1.00 11.53 H new ATOM 0 HE3 MET A 1 -13.355 -16.371 -9.290 1.00 11.53 H new ATOM 20 N GLY A 2 -6.535 -16.350 -6.979 1.00 4.19 N ATOM 21 CA GLY A 2 -5.486 -15.628 -6.281 1.00 3.65 C ATOM 22 C GLY A 2 -6.159 -14.622 -5.335 1.00 3.10 C ATOM 23 O GLY A 2 -7.363 -14.359 -5.469 1.00 3.79 O ATOM 0 H GLY A 2 -6.577 -16.208 -7.988 1.00 4.19 H new ATOM 0 HA2 GLY A 2 -4.856 -16.318 -5.720 1.00 3.65 H new ATOM 0 HA3 GLY A 2 -4.840 -15.112 -6.991 1.00 3.65 H new ATOM 27 N ASP A 3 -5.410 -14.152 -4.337 1.00 2.56 N ATOM 28 CA ASP A 3 -5.758 -13.133 -3.356 1.00 2.16 C ATOM 29 C ASP A 3 -4.520 -12.995 -2.465 1.00 1.46 C ATOM 30 O ASP A 3 -3.573 -13.771 -2.609 1.00 2.31 O ATOM 31 CB ASP A 3 -7.007 -13.516 -2.531 1.00 2.88 C ATOM 32 CG ASP A 3 -7.355 -12.463 -1.488 1.00 3.35 C ATOM 33 OD1 ASP A 3 -7.124 -11.260 -1.749 1.00 4.22 O ATOM 34 OD2 ASP A 3 -7.768 -12.824 -0.364 1.00 3.96 O ATOM 0 H ASP A 3 -4.466 -14.507 -4.185 1.00 2.56 H new ATOM 0 HA ASP A 3 -6.020 -12.193 -3.841 1.00 2.16 H new ATOM 0 HB2 ASP A 3 -7.855 -13.654 -3.202 1.00 2.88 H new ATOM 0 HB3 ASP A 3 -6.834 -14.471 -2.036 1.00 2.88 H new ATOM 39 N GLY A 4 -4.522 -12.046 -1.533 1.00 0.99 N ATOM 40 CA GLY A 4 -3.468 -11.910 -0.550 1.00 1.21 C ATOM 41 C GLY A 4 -3.791 -10.760 0.390 1.00 1.15 C ATOM 42 O GLY A 4 -4.879 -10.183 0.327 1.00 1.88 O ATOM 0 H GLY A 4 -5.262 -11.349 -1.444 1.00 0.99 H new ATOM 0 HA2 GLY A 4 -3.363 -12.836 0.015 1.00 1.21 H new ATOM 0 HA3 GLY A 4 -2.515 -11.730 -1.047 1.00 1.21 H new ATOM 46 N VAL A 5 -2.841 -10.416 1.257 1.00 0.99 N ATOM 47 CA VAL A 5 -2.910 -9.250 2.119 1.00 0.96 C ATOM 48 C VAL A 5 -1.499 -8.682 2.276 1.00 1.02 C ATOM 49 O VAL A 5 -0.743 -9.047 3.176 1.00 1.49 O ATOM 50 CB VAL A 5 -3.648 -9.578 3.432 1.00 1.15 C ATOM 51 CG1 VAL A 5 -3.133 -10.825 4.160 1.00 1.98 C ATOM 52 CG2 VAL A 5 -3.630 -8.383 4.389 1.00 2.49 C ATOM 0 H VAL A 5 -1.984 -10.956 1.378 1.00 0.99 H new ATOM 0 HA VAL A 5 -3.514 -8.458 1.676 1.00 0.96 H new ATOM 0 HB VAL A 5 -4.670 -9.800 3.125 1.00 1.15 H new ATOM 0 HG11 VAL A 5 -3.710 -10.978 5.072 1.00 1.98 H new ATOM 0 HG12 VAL A 5 -3.240 -11.695 3.512 1.00 1.98 H new ATOM 0 HG13 VAL A 5 -2.082 -10.690 4.414 1.00 1.98 H new ATOM 0 HG21 VAL A 5 -4.158 -8.644 5.306 1.00 2.49 H new ATOM 0 HG22 VAL A 5 -2.599 -8.122 4.626 1.00 2.49 H new ATOM 0 HG23 VAL A 5 -4.121 -7.532 3.917 1.00 2.49 H new ATOM 62 N LEU A 6 -1.126 -7.760 1.389 1.00 1.15 N ATOM 63 CA LEU A 6 0.095 -6.995 1.534 1.00 1.40 C ATOM 64 C LEU A 6 -0.213 -5.913 2.567 1.00 1.17 C ATOM 65 O LEU A 6 -0.533 -4.769 2.248 1.00 1.32 O ATOM 66 CB LEU A 6 0.573 -6.468 0.172 1.00 1.58 C ATOM 67 CG LEU A 6 2.065 -6.104 0.084 1.00 1.95 C ATOM 68 CD1 LEU A 6 2.432 -4.876 0.912 1.00 3.12 C ATOM 69 CD2 LEU A 6 3.005 -7.262 0.440 1.00 2.04 C ATOM 0 H LEU A 6 -1.665 -7.529 0.555 1.00 1.15 H new ATOM 0 HA LEU A 6 0.934 -7.593 1.889 1.00 1.40 H new ATOM 0 HB2 LEU A 6 0.357 -7.222 -0.585 1.00 1.58 H new ATOM 0 HB3 LEU A 6 -0.013 -5.585 -0.081 1.00 1.58 H new ATOM 0 HG LEU A 6 2.212 -5.867 -0.970 1.00 1.95 H new ATOM 0 HD11 LEU A 6 3.498 -4.672 0.807 1.00 3.12 H new ATOM 0 HD12 LEU A 6 1.862 -4.016 0.560 1.00 3.12 H new ATOM 0 HD13 LEU A 6 2.199 -5.061 1.961 1.00 3.12 H new ATOM 0 HD21 LEU A 6 4.040 -6.930 0.355 1.00 2.04 H new ATOM 0 HD22 LEU A 6 2.811 -7.587 1.462 1.00 2.04 H new ATOM 0 HD23 LEU A 6 2.834 -8.093 -0.244 1.00 2.04 H new ATOM 81 N GLU A 7 -0.163 -6.337 3.830 1.00 1.05 N ATOM 82 CA GLU A 7 -0.185 -5.472 4.997 1.00 0.92 C ATOM 83 C GLU A 7 1.231 -4.996 5.281 1.00 0.89 C ATOM 84 O GLU A 7 2.128 -5.829 5.457 1.00 1.42 O ATOM 85 CB GLU A 7 -0.751 -6.219 6.206 1.00 1.31 C ATOM 86 CG GLU A 7 -2.211 -5.812 6.404 1.00 1.58 C ATOM 87 CD GLU A 7 -2.888 -6.599 7.515 1.00 2.49 C ATOM 88 OE1 GLU A 7 -2.257 -7.558 8.007 1.00 3.54 O ATOM 89 OE2 GLU A 7 -4.039 -6.224 7.828 1.00 3.06 O ATOM 0 H GLU A 7 -0.104 -7.326 4.071 1.00 1.05 H new ATOM 0 HA GLU A 7 -0.827 -4.613 4.803 1.00 0.92 H new ATOM 0 HB2 GLU A 7 -0.678 -7.295 6.051 1.00 1.31 H new ATOM 0 HB3 GLU A 7 -0.171 -5.985 7.099 1.00 1.31 H new ATOM 0 HG2 GLU A 7 -2.260 -4.748 6.635 1.00 1.58 H new ATOM 0 HG3 GLU A 7 -2.756 -5.962 5.472 1.00 1.58 H new ATOM 96 N LEU A 8 1.427 -3.679 5.328 1.00 0.60 N ATOM 97 CA LEU A 8 2.718 -3.078 5.614 1.00 0.66 C ATOM 98 C LEU A 8 2.542 -1.688 6.211 1.00 0.56 C ATOM 99 O LEU A 8 1.493 -1.067 6.037 1.00 0.62 O ATOM 100 CB LEU A 8 3.628 -3.126 4.367 1.00 0.99 C ATOM 101 CG LEU A 8 3.309 -2.246 3.144 1.00 0.88 C ATOM 102 CD1 LEU A 8 1.824 -2.153 2.799 1.00 1.73 C ATOM 103 CD2 LEU A 8 3.875 -0.835 3.283 1.00 2.56 C ATOM 0 H LEU A 8 0.685 -2.998 5.167 1.00 0.60 H new ATOM 0 HA LEU A 8 3.235 -3.661 6.376 1.00 0.66 H new ATOM 0 HB2 LEU A 8 4.637 -2.874 4.693 1.00 0.99 H new ATOM 0 HB3 LEU A 8 3.653 -4.160 4.024 1.00 0.99 H new ATOM 0 HG LEU A 8 3.802 -2.763 2.320 1.00 0.88 H new ATOM 0 HD11 LEU A 8 1.693 -1.514 1.926 1.00 1.73 H new ATOM 0 HD12 LEU A 8 1.438 -3.149 2.581 1.00 1.73 H new ATOM 0 HD13 LEU A 8 1.280 -1.730 3.643 1.00 1.73 H new ATOM 0 HD21 LEU A 8 3.624 -0.253 2.396 1.00 2.56 H new ATOM 0 HD22 LEU A 8 3.447 -0.357 4.164 1.00 2.56 H new ATOM 0 HD23 LEU A 8 4.959 -0.886 3.388 1.00 2.56 H new ATOM 115 N VAL A 9 3.561 -1.212 6.929 1.00 0.55 N ATOM 116 CA VAL A 9 3.643 0.156 7.389 1.00 0.56 C ATOM 117 C VAL A 9 4.106 0.988 6.194 1.00 0.56 C ATOM 118 O VAL A 9 5.197 0.770 5.662 1.00 0.71 O ATOM 119 CB VAL A 9 4.530 0.269 8.648 1.00 0.60 C ATOM 120 CG1 VAL A 9 5.414 1.518 8.661 1.00 0.68 C ATOM 121 CG2 VAL A 9 3.644 0.314 9.902 1.00 0.71 C ATOM 0 H VAL A 9 4.359 -1.783 7.206 1.00 0.55 H new ATOM 0 HA VAL A 9 2.680 0.542 7.723 1.00 0.56 H new ATOM 0 HB VAL A 9 5.180 -0.606 8.637 1.00 0.60 H new ATOM 0 HG11 VAL A 9 6.010 1.533 9.574 1.00 0.68 H new ATOM 0 HG12 VAL A 9 6.076 1.504 7.795 1.00 0.68 H new ATOM 0 HG13 VAL A 9 4.786 2.408 8.623 1.00 0.68 H new ATOM 0 HG21 VAL A 9 4.273 0.394 10.789 1.00 0.71 H new ATOM 0 HG22 VAL A 9 2.981 1.178 9.848 1.00 0.71 H new ATOM 0 HG23 VAL A 9 3.049 -0.597 9.960 1.00 0.71 H new ATOM 131 N VAL A 10 3.240 1.895 5.742 1.00 0.72 N ATOM 132 CA VAL A 10 3.468 2.817 4.653 1.00 0.87 C ATOM 133 C VAL A 10 3.999 4.096 5.291 1.00 0.95 C ATOM 134 O VAL A 10 3.305 5.100 5.440 1.00 1.54 O ATOM 135 CB VAL A 10 2.167 2.973 3.848 1.00 0.87 C ATOM 136 CG1 VAL A 10 0.965 3.520 4.632 1.00 2.22 C ATOM 137 CG2 VAL A 10 2.419 3.856 2.634 1.00 1.95 C ATOM 0 H VAL A 10 2.314 2.004 6.155 1.00 0.72 H new ATOM 0 HA VAL A 10 4.204 2.478 3.924 1.00 0.87 H new ATOM 0 HB VAL A 10 1.889 1.959 3.561 1.00 0.87 H new ATOM 0 HG11 VAL A 10 0.101 3.590 3.971 1.00 2.22 H new ATOM 0 HG12 VAL A 10 0.735 2.849 5.460 1.00 2.22 H new ATOM 0 HG13 VAL A 10 1.205 4.509 5.022 1.00 2.22 H new ATOM 0 HG21 VAL A 10 1.496 3.965 2.065 1.00 1.95 H new ATOM 0 HG22 VAL A 10 2.761 4.838 2.963 1.00 1.95 H new ATOM 0 HG23 VAL A 10 3.182 3.399 2.004 1.00 1.95 H new ATOM 147 N ARG A 11 5.249 4.046 5.731 1.00 1.03 N ATOM 148 CA ARG A 11 5.783 5.071 6.601 1.00 1.18 C ATOM 149 C ARG A 11 6.057 6.282 5.704 1.00 1.09 C ATOM 150 O ARG A 11 7.020 6.302 4.952 1.00 1.47 O ATOM 151 CB ARG A 11 7.045 4.522 7.299 1.00 1.44 C ATOM 152 CG ARG A 11 7.024 4.548 8.831 1.00 1.58 C ATOM 153 CD ARG A 11 7.363 5.935 9.380 1.00 2.24 C ATOM 154 NE ARG A 11 6.264 6.879 9.147 1.00 3.85 N ATOM 155 CZ ARG A 11 6.317 8.042 8.483 1.00 5.35 C ATOM 156 NH1 ARG A 11 7.400 8.425 7.793 1.00 5.55 N ATOM 157 NH2 ARG A 11 5.219 8.804 8.512 1.00 7.08 N ATOM 0 H ARG A 11 5.908 3.304 5.496 1.00 1.03 H new ATOM 0 HA ARG A 11 5.102 5.368 7.398 1.00 1.18 H new ATOM 0 HB2 ARG A 11 7.199 3.493 6.974 1.00 1.44 H new ATOM 0 HB3 ARG A 11 7.906 5.096 6.956 1.00 1.44 H new ATOM 0 HG2 ARG A 11 6.038 4.247 9.186 1.00 1.58 H new ATOM 0 HG3 ARG A 11 7.738 3.820 9.217 1.00 1.58 H new ATOM 0 HD2 ARG A 11 7.567 5.867 10.449 1.00 2.24 H new ATOM 0 HD3 ARG A 11 8.271 6.305 8.905 1.00 2.24 H new ATOM 0 HE ARG A 11 5.356 6.621 9.534 1.00 3.85 H new ATOM 0 HH11 ARG A 11 8.223 7.823 7.760 1.00 5.55 H new ATOM 0 HH12 ARG A 11 7.401 9.318 7.300 1.00 5.55 H new ATOM 0 HH21 ARG A 11 4.394 8.490 9.023 1.00 7.08 H new ATOM 0 HH22 ARG A 11 5.206 9.699 8.023 1.00 7.08 H new ATOM 171 N GLY A 12 5.181 7.288 5.704 1.00 1.43 N ATOM 172 CA GLY A 12 5.422 8.449 4.860 1.00 1.41 C ATOM 173 C GLY A 12 4.220 9.371 4.738 1.00 1.09 C ATOM 174 O GLY A 12 4.394 10.585 4.802 1.00 1.19 O ATOM 0 H GLY A 12 4.327 7.321 6.261 1.00 1.43 H new ATOM 0 HA2 GLY A 12 6.263 9.013 5.263 1.00 1.41 H new ATOM 0 HA3 GLY A 12 5.713 8.111 3.865 1.00 1.41 H new ATOM 178 N MET A 13 3.022 8.807 4.548 1.00 1.16 N ATOM 179 CA MET A 13 1.806 9.573 4.271 1.00 1.03 C ATOM 180 C MET A 13 1.384 10.514 5.410 1.00 0.96 C ATOM 181 O MET A 13 0.448 10.249 6.159 1.00 1.41 O ATOM 182 CB MET A 13 0.657 8.685 3.750 1.00 1.56 C ATOM 183 CG MET A 13 0.467 7.276 4.338 1.00 1.11 C ATOM 184 SD MET A 13 -0.147 7.102 6.032 1.00 1.95 S ATOM 185 CE MET A 13 1.347 7.360 7.012 1.00 2.61 C ATOM 0 H MET A 13 2.870 7.799 4.583 1.00 1.16 H new ATOM 0 HA MET A 13 2.066 10.244 3.453 1.00 1.03 H new ATOM 0 HB2 MET A 13 -0.274 9.231 3.902 1.00 1.56 H new ATOM 0 HB3 MET A 13 0.790 8.575 2.674 1.00 1.56 H new ATOM 0 HG2 MET A 13 -0.218 6.737 3.684 1.00 1.11 H new ATOM 0 HG3 MET A 13 1.428 6.765 4.283 1.00 1.11 H new ATOM 0 HE1 MET A 13 1.074 7.717 8.005 1.00 2.61 H new ATOM 0 HE2 MET A 13 1.890 6.419 7.102 1.00 2.61 H new ATOM 0 HE3 MET A 13 1.980 8.099 6.522 1.00 2.61 H new ATOM 195 N THR A 14 2.091 11.632 5.543 1.00 0.77 N ATOM 196 CA THR A 14 2.024 12.484 6.718 1.00 0.96 C ATOM 197 C THR A 14 0.698 13.233 6.892 1.00 0.83 C ATOM 198 O THR A 14 0.497 13.802 7.965 1.00 1.07 O ATOM 199 CB THR A 14 3.228 13.441 6.738 1.00 1.24 C ATOM 200 OG1 THR A 14 3.288 14.110 7.981 1.00 1.98 O ATOM 201 CG2 THR A 14 3.186 14.467 5.600 1.00 1.08 C ATOM 0 H THR A 14 2.733 11.973 4.828 1.00 0.77 H new ATOM 0 HA THR A 14 2.070 11.820 7.581 1.00 0.96 H new ATOM 0 HB THR A 14 4.122 12.835 6.593 1.00 1.24 H new ATOM 0 HG1 THR A 14 2.380 14.251 8.321 1.00 1.98 H new ATOM 0 HG21 THR A 14 4.059 15.116 5.663 1.00 1.08 H new ATOM 0 HG22 THR A 14 3.188 13.948 4.642 1.00 1.08 H new ATOM 0 HG23 THR A 14 2.281 15.068 5.685 1.00 1.08 H new ATOM 209 N CYS A 15 -0.180 13.287 5.882 1.00 0.60 N ATOM 210 CA CYS A 15 -1.467 13.956 6.004 1.00 0.57 C ATOM 211 C CYS A 15 -2.458 13.363 5.007 1.00 0.47 C ATOM 212 O CYS A 15 -2.074 12.593 4.122 1.00 0.47 O ATOM 213 CB CYS A 15 -1.297 15.469 5.811 1.00 0.72 C ATOM 214 SG CYS A 15 -0.919 15.992 4.119 1.00 0.70 S ATOM 0 H CYS A 15 -0.013 12.869 4.967 1.00 0.60 H new ATOM 0 HA CYS A 15 -1.868 13.796 7.005 1.00 0.57 H new ATOM 0 HB2 CYS A 15 -2.213 15.965 6.132 1.00 0.72 H new ATOM 0 HB3 CYS A 15 -0.500 15.816 6.468 1.00 0.72 H new ATOM 219 N ALA A 16 -3.731 13.747 5.150 1.00 0.50 N ATOM 220 CA ALA A 16 -4.833 13.322 4.295 1.00 0.54 C ATOM 221 C ALA A 16 -4.447 13.370 2.816 1.00 0.55 C ATOM 222 O ALA A 16 -4.710 12.426 2.074 1.00 0.59 O ATOM 223 CB ALA A 16 -6.057 14.203 4.563 1.00 0.67 C ATOM 0 H ALA A 16 -4.027 14.383 5.890 1.00 0.50 H new ATOM 0 HA ALA A 16 -5.074 12.286 4.532 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -6.881 13.885 3.924 1.00 0.67 H new ATOM 0 HB2 ALA A 16 -6.351 14.109 5.608 1.00 0.67 H new ATOM 0 HB3 ALA A 16 -5.811 15.243 4.348 1.00 0.67 H new ATOM 229 N SER A 17 -3.812 14.472 2.407 1.00 0.57 N ATOM 230 CA SER A 17 -3.333 14.713 1.059 1.00 0.66 C ATOM 231 C SER A 17 -2.425 13.585 0.562 1.00 0.64 C ATOM 232 O SER A 17 -2.487 13.218 -0.609 1.00 0.78 O ATOM 233 CB SER A 17 -2.588 16.050 1.049 1.00 0.81 C ATOM 234 OG SER A 17 -3.244 16.962 1.914 1.00 1.79 O ATOM 0 H SER A 17 -3.613 15.248 3.039 1.00 0.57 H new ATOM 0 HA SER A 17 -4.185 14.746 0.380 1.00 0.66 H new ATOM 0 HB2 SER A 17 -1.556 15.906 1.369 1.00 0.81 H new ATOM 0 HB3 SER A 17 -2.554 16.452 0.037 1.00 0.81 H new ATOM 0 HG SER A 17 -2.768 17.001 2.770 1.00 1.79 H new ATOM 240 N CYS A 18 -1.563 13.052 1.431 1.00 0.56 N ATOM 241 CA CYS A 18 -0.804 11.858 1.109 1.00 0.54 C ATOM 242 C CYS A 18 -1.724 10.638 1.110 1.00 0.51 C ATOM 243 O CYS A 18 -1.774 9.893 0.134 1.00 0.53 O ATOM 244 CB CYS A 18 0.342 11.664 2.096 1.00 0.57 C ATOM 245 SG CYS A 18 1.520 13.030 2.256 1.00 0.72 S ATOM 0 H CYS A 18 -1.379 13.433 2.359 1.00 0.56 H new ATOM 0 HA CYS A 18 -0.376 11.976 0.113 1.00 0.54 H new ATOM 0 HB2 CYS A 18 -0.086 11.467 3.079 1.00 0.57 H new ATOM 0 HB3 CYS A 18 0.895 10.771 1.804 1.00 0.57 H new ATOM 250 N VAL A 19 -2.432 10.415 2.221 1.00 0.55 N ATOM 251 CA VAL A 19 -3.246 9.222 2.436 1.00 0.59 C ATOM 252 C VAL A 19 -4.125 8.938 1.208 1.00 0.54 C ATOM 253 O VAL A 19 -3.993 7.889 0.572 1.00 0.52 O ATOM 254 CB VAL A 19 -4.061 9.377 3.736 1.00 0.72 C ATOM 255 CG1 VAL A 19 -5.027 8.215 3.992 1.00 0.85 C ATOM 256 CG2 VAL A 19 -3.139 9.451 4.962 1.00 0.83 C ATOM 0 H VAL A 19 -2.454 11.068 3.004 1.00 0.55 H new ATOM 0 HA VAL A 19 -2.601 8.352 2.559 1.00 0.59 H new ATOM 0 HB VAL A 19 -4.627 10.298 3.597 1.00 0.72 H new ATOM 0 HG11 VAL A 19 -5.567 8.389 4.922 1.00 0.85 H new ATOM 0 HG12 VAL A 19 -5.737 8.144 3.168 1.00 0.85 H new ATOM 0 HG13 VAL A 19 -4.465 7.284 4.068 1.00 0.85 H new ATOM 0 HG21 VAL A 19 -3.741 9.560 5.864 1.00 0.83 H new ATOM 0 HG22 VAL A 19 -2.548 8.538 5.028 1.00 0.83 H new ATOM 0 HG23 VAL A 19 -2.473 10.308 4.865 1.00 0.83 H new ATOM 266 N HIS A 20 -5.010 9.872 0.845 1.00 0.57 N ATOM 267 CA HIS A 20 -5.942 9.630 -0.250 1.00 0.62 C ATOM 268 C HIS A 20 -5.223 9.539 -1.603 1.00 0.55 C ATOM 269 O HIS A 20 -5.725 8.898 -2.526 1.00 0.61 O ATOM 270 CB HIS A 20 -7.106 10.635 -0.238 1.00 0.75 C ATOM 271 CG HIS A 20 -6.883 11.926 -0.987 1.00 0.68 C ATOM 272 ND1 HIS A 20 -7.783 12.520 -1.842 1.00 0.73 N ATOM 273 CD2 HIS A 20 -5.759 12.706 -0.968 1.00 0.73 C ATOM 274 CE1 HIS A 20 -7.204 13.632 -2.331 1.00 0.73 C ATOM 275 NE2 HIS A 20 -5.969 13.786 -1.831 1.00 0.80 N ATOM 0 H HIS A 20 -5.097 10.787 1.288 1.00 0.57 H new ATOM 0 HA HIS A 20 -6.394 8.651 -0.092 1.00 0.62 H new ATOM 0 HB2 HIS A 20 -7.985 10.145 -0.656 1.00 0.75 H new ATOM 0 HB3 HIS A 20 -7.338 10.877 0.799 1.00 0.75 H new ATOM 0 HD2 HIS A 20 -4.867 12.520 -0.389 1.00 0.73 H new ATOM 0 HE1 HIS A 20 -7.671 14.309 -3.031 1.00 0.73 H new ATOM 0 HE2 HIS A 20 -5.314 14.540 -2.039 1.00 0.80 H new ATOM 283 N LYS A 21 -4.042 10.154 -1.729 1.00 0.49 N ATOM 284 CA LYS A 21 -3.217 10.035 -2.918 1.00 0.47 C ATOM 285 C LYS A 21 -2.713 8.596 -3.025 1.00 0.44 C ATOM 286 O LYS A 21 -2.843 7.990 -4.087 1.00 0.51 O ATOM 287 CB LYS A 21 -2.102 11.093 -2.884 1.00 0.52 C ATOM 288 CG LYS A 21 -1.045 10.971 -3.988 1.00 0.55 C ATOM 289 CD LYS A 21 -0.080 12.162 -3.852 1.00 0.98 C ATOM 290 CE LYS A 21 1.213 12.017 -4.669 1.00 1.87 C ATOM 291 NZ LYS A 21 0.965 11.900 -6.120 1.00 3.56 N ATOM 0 H LYS A 21 -3.638 10.747 -1.004 1.00 0.49 H new ATOM 0 HA LYS A 21 -3.789 10.236 -3.824 1.00 0.47 H new ATOM 0 HB2 LYS A 21 -2.559 12.080 -2.950 1.00 0.52 H new ATOM 0 HB3 LYS A 21 -1.601 11.038 -1.917 1.00 0.52 H new ATOM 0 HG2 LYS A 21 -0.504 10.029 -3.896 1.00 0.55 H new ATOM 0 HG3 LYS A 21 -1.517 10.973 -4.970 1.00 0.55 H new ATOM 0 HD2 LYS A 21 -0.595 13.071 -4.164 1.00 0.98 H new ATOM 0 HD3 LYS A 21 0.179 12.288 -2.801 1.00 0.98 H new ATOM 0 HE2 LYS A 21 1.853 12.880 -4.483 1.00 1.87 H new ATOM 0 HE3 LYS A 21 1.757 11.137 -4.326 1.00 1.87 H new ATOM 0 HZ1 LYS A 21 1.872 11.805 -6.621 1.00 3.56 H new ATOM 0 HZ2 LYS A 21 0.378 11.062 -6.305 1.00 3.56 H new ATOM 0 HZ3 LYS A 21 0.471 12.751 -6.457 1.00 3.56 H new ATOM 305 N ILE A 22 -2.175 8.025 -1.940 1.00 0.41 N ATOM 306 CA ILE A 22 -1.793 6.616 -1.939 1.00 0.42 C ATOM 307 C ILE A 22 -3.012 5.758 -2.282 1.00 0.52 C ATOM 308 O ILE A 22 -2.969 5.003 -3.255 1.00 0.59 O ATOM 309 CB ILE A 22 -1.127 6.178 -0.616 1.00 0.44 C ATOM 310 CG1 ILE A 22 0.136 7.008 -0.334 1.00 0.46 C ATOM 311 CG2 ILE A 22 -0.756 4.689 -0.710 1.00 0.52 C ATOM 312 CD1 ILE A 22 0.971 6.442 0.818 1.00 0.83 C ATOM 0 H ILE A 22 -1.998 8.514 -1.063 1.00 0.41 H new ATOM 0 HA ILE A 22 -1.032 6.470 -2.705 1.00 0.42 H new ATOM 0 HB ILE A 22 -1.830 6.339 0.201 1.00 0.44 H new ATOM 0 HG12 ILE A 22 0.748 7.048 -1.235 1.00 0.46 H new ATOM 0 HG13 ILE A 22 -0.153 8.032 -0.099 1.00 0.46 H new ATOM 0 HG21 ILE A 22 -0.285 4.372 0.220 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -1.657 4.100 -0.880 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -0.062 4.538 -1.537 1.00 0.52 H new ATOM 0 HD11 ILE A 22 1.850 7.068 0.972 1.00 0.83 H new ATOM 0 HD12 ILE A 22 0.372 6.427 1.728 1.00 0.83 H new ATOM 0 HD13 ILE A 22 1.286 5.427 0.575 1.00 0.83 H new ATOM 324 N GLU A 23 -4.094 5.880 -1.506 1.00 0.61 N ATOM 325 CA GLU A 23 -5.285 5.056 -1.667 1.00 0.77 C ATOM 326 C GLU A 23 -5.790 5.124 -3.113 1.00 0.76 C ATOM 327 O GLU A 23 -5.969 4.102 -3.781 1.00 0.91 O ATOM 328 CB GLU A 23 -6.356 5.473 -0.640 1.00 0.92 C ATOM 329 CG GLU A 23 -7.069 4.260 -0.026 1.00 1.35 C ATOM 330 CD GLU A 23 -7.766 4.615 1.280 1.00 2.50 C ATOM 331 OE1 GLU A 23 -8.612 5.531 1.238 1.00 3.28 O ATOM 332 OE2 GLU A 23 -7.407 3.980 2.298 1.00 3.53 O ATOM 0 H GLU A 23 -4.163 6.558 -0.747 1.00 0.61 H new ATOM 0 HA GLU A 23 -5.040 4.012 -1.470 1.00 0.77 H new ATOM 0 HB2 GLU A 23 -5.890 6.058 0.152 1.00 0.92 H new ATOM 0 HB3 GLU A 23 -7.090 6.118 -1.123 1.00 0.92 H new ATOM 0 HG2 GLU A 23 -7.801 3.871 -0.734 1.00 1.35 H new ATOM 0 HG3 GLU A 23 -6.345 3.465 0.153 1.00 1.35 H new ATOM 339 N SER A 24 -5.957 6.341 -3.638 1.00 0.62 N ATOM 340 CA SER A 24 -6.317 6.492 -5.033 1.00 0.58 C ATOM 341 C SER A 24 -5.286 5.796 -5.912 1.00 0.72 C ATOM 342 O SER A 24 -5.683 5.000 -6.755 1.00 1.00 O ATOM 343 CB SER A 24 -6.501 7.950 -5.460 1.00 0.49 C ATOM 344 OG SER A 24 -6.954 7.984 -6.815 1.00 0.80 O ATOM 0 H SER A 24 -5.849 7.215 -3.123 1.00 0.62 H new ATOM 0 HA SER A 24 -7.290 6.019 -5.162 1.00 0.58 H new ATOM 0 HB2 SER A 24 -7.222 8.445 -4.809 1.00 0.49 H new ATOM 0 HB3 SER A 24 -5.560 8.492 -5.364 1.00 0.49 H new ATOM 0 HG SER A 24 -6.188 8.115 -7.413 1.00 0.80 H new ATOM 350 N SER A 25 -3.990 6.067 -5.745 1.00 0.61 N ATOM 351 CA SER A 25 -2.969 5.613 -6.680 1.00 0.65 C ATOM 352 C SER A 25 -3.048 4.098 -6.783 1.00 0.70 C ATOM 353 O SER A 25 -3.058 3.526 -7.869 1.00 0.83 O ATOM 354 CB SER A 25 -1.583 6.066 -6.214 1.00 0.73 C ATOM 355 OG SER A 25 -0.607 5.777 -7.199 1.00 1.31 O ATOM 0 H SER A 25 -3.624 6.605 -4.960 1.00 0.61 H new ATOM 0 HA SER A 25 -3.140 6.049 -7.664 1.00 0.65 H new ATOM 0 HB2 SER A 25 -1.594 7.136 -6.009 1.00 0.73 H new ATOM 0 HB3 SER A 25 -1.325 5.565 -5.281 1.00 0.73 H new ATOM 0 HG SER A 25 -0.409 6.589 -7.711 1.00 1.31 H new ATOM 361 N LEU A 26 -3.174 3.457 -5.630 1.00 0.73 N ATOM 362 CA LEU A 26 -3.356 2.032 -5.551 1.00 0.93 C ATOM 363 C LEU A 26 -4.574 1.571 -6.348 1.00 0.88 C ATOM 364 O LEU A 26 -4.431 0.722 -7.224 1.00 0.91 O ATOM 365 CB LEU A 26 -3.437 1.649 -4.087 1.00 1.12 C ATOM 366 CG LEU A 26 -2.045 1.654 -3.448 1.00 1.18 C ATOM 367 CD1 LEU A 26 -2.230 1.634 -1.938 1.00 3.07 C ATOM 368 CD2 LEU A 26 -1.173 0.470 -3.891 1.00 1.56 C ATOM 0 H LEU A 26 -3.151 3.922 -4.723 1.00 0.73 H new ATOM 0 HA LEU A 26 -2.507 1.522 -6.007 1.00 0.93 H new ATOM 0 HB2 LEU A 26 -4.087 2.346 -3.559 1.00 1.12 H new ATOM 0 HB3 LEU A 26 -3.884 0.660 -3.989 1.00 1.12 H new ATOM 0 HG LEU A 26 -1.518 2.551 -3.775 1.00 1.18 H new ATOM 0 HD11 LEU A 26 -1.254 1.637 -1.452 1.00 3.07 H new ATOM 0 HD12 LEU A 26 -2.792 2.515 -1.629 1.00 3.07 H new ATOM 0 HD13 LEU A 26 -2.776 0.736 -1.650 1.00 3.07 H new ATOM 0 HD21 LEU A 26 -0.200 0.532 -3.403 1.00 1.56 H new ATOM 0 HD22 LEU A 26 -1.660 -0.465 -3.613 1.00 1.56 H new ATOM 0 HD23 LEU A 26 -1.039 0.501 -4.972 1.00 1.56 H new ATOM 380 N THR A 27 -5.755 2.154 -6.112 1.00 0.86 N ATOM 381 CA THR A 27 -6.955 1.777 -6.869 1.00 0.90 C ATOM 382 C THR A 27 -6.813 1.952 -8.392 1.00 0.87 C ATOM 383 O THR A 27 -7.693 1.519 -9.131 1.00 1.26 O ATOM 384 CB THR A 27 -8.206 2.510 -6.364 1.00 1.04 C ATOM 385 OG1 THR A 27 -8.043 3.908 -6.496 1.00 2.25 O ATOM 386 CG2 THR A 27 -8.534 2.152 -4.912 1.00 1.65 C ATOM 0 H THR A 27 -5.905 2.880 -5.412 1.00 0.86 H new ATOM 0 HA THR A 27 -7.074 0.709 -6.687 1.00 0.90 H new ATOM 0 HB THR A 27 -9.044 2.185 -6.980 1.00 1.04 H new ATOM 0 HG1 THR A 27 -7.124 4.154 -6.262 1.00 2.25 H new ATOM 0 HG21 THR A 27 -9.426 2.693 -4.596 1.00 1.65 H new ATOM 0 HG22 THR A 27 -8.713 1.080 -4.833 1.00 1.65 H new ATOM 0 HG23 THR A 27 -7.697 2.428 -4.271 1.00 1.65 H new ATOM 394 N LYS A 28 -5.752 2.604 -8.883 1.00 0.86 N ATOM 395 CA LYS A 28 -5.487 2.674 -10.312 1.00 0.88 C ATOM 396 C LYS A 28 -5.023 1.316 -10.848 1.00 0.85 C ATOM 397 O LYS A 28 -5.312 0.980 -11.995 1.00 1.00 O ATOM 398 CB LYS A 28 -4.452 3.763 -10.617 1.00 0.97 C ATOM 399 CG LYS A 28 -4.695 5.113 -9.918 1.00 2.40 C ATOM 400 CD LYS A 28 -5.836 5.998 -10.460 1.00 3.82 C ATOM 401 CE LYS A 28 -7.263 5.680 -9.959 1.00 5.71 C ATOM 402 NZ LYS A 28 -7.435 5.808 -8.493 1.00 7.16 N ATOM 0 H LYS A 28 -5.066 3.089 -8.305 1.00 0.86 H new ATOM 0 HA LYS A 28 -6.416 2.936 -10.818 1.00 0.88 H new ATOM 0 HB2 LYS A 28 -3.467 3.396 -10.330 1.00 0.97 H new ATOM 0 HB3 LYS A 28 -4.429 3.929 -11.694 1.00 0.97 H new ATOM 0 HG2 LYS A 28 -4.893 4.916 -8.864 1.00 2.40 H new ATOM 0 HG3 LYS A 28 -3.771 5.688 -9.966 1.00 2.40 H new ATOM 0 HD2 LYS A 28 -5.611 7.034 -10.208 1.00 3.82 H new ATOM 0 HD3 LYS A 28 -5.834 5.926 -11.548 1.00 3.82 H new ATOM 0 HE2 LYS A 28 -7.967 6.347 -10.456 1.00 5.71 H new ATOM 0 HE3 LYS A 28 -7.522 4.664 -10.257 1.00 5.71 H new ATOM 0 HZ1 LYS A 28 -8.442 5.712 -8.252 1.00 7.16 H new ATOM 0 HZ2 LYS A 28 -6.892 5.062 -8.013 1.00 7.16 H new ATOM 0 HZ3 LYS A 28 -7.092 6.740 -8.183 1.00 7.16 H new ATOM 416 N HIS A 29 -4.293 0.538 -10.043 1.00 0.79 N ATOM 417 CA HIS A 29 -3.878 -0.796 -10.446 1.00 0.93 C ATOM 418 C HIS A 29 -5.061 -1.748 -10.273 1.00 1.25 C ATOM 419 O HIS A 29 -5.867 -1.574 -9.364 1.00 2.27 O ATOM 420 CB HIS A 29 -2.692 -1.283 -9.604 1.00 0.90 C ATOM 421 CG HIS A 29 -1.674 -0.227 -9.251 1.00 1.00 C ATOM 422 ND1 HIS A 29 -0.912 0.532 -10.109 1.00 1.72 N ATOM 423 CD2 HIS A 29 -1.379 0.172 -7.980 1.00 1.36 C ATOM 424 CE1 HIS A 29 -0.170 1.363 -9.351 1.00 1.65 C ATOM 425 NE2 HIS A 29 -0.408 1.173 -8.043 1.00 1.39 N ATOM 0 H HIS A 29 -3.981 0.814 -9.112 1.00 0.79 H new ATOM 0 HA HIS A 29 -3.560 -0.771 -11.488 1.00 0.93 H new ATOM 0 HB2 HIS A 29 -3.077 -1.716 -8.681 1.00 0.90 H new ATOM 0 HB3 HIS A 29 -2.188 -2.083 -10.145 1.00 0.90 H new ATOM 0 HD1 HIS A 29 -0.909 0.476 -11.127 1.00 1.72 H new ATOM 0 HD2 HIS A 29 -1.822 -0.221 -7.077 1.00 1.36 H new ATOM 0 HE1 HIS A 29 0.526 2.088 -9.745 1.00 1.65 H new ATOM 433 N ARG A 30 -5.145 -2.775 -11.121 1.00 0.90 N ATOM 434 CA ARG A 30 -6.168 -3.812 -11.021 1.00 1.07 C ATOM 435 C ARG A 30 -5.651 -5.031 -10.250 1.00 1.05 C ATOM 436 O ARG A 30 -6.439 -5.790 -9.693 1.00 1.88 O ATOM 437 CB ARG A 30 -6.634 -4.178 -12.439 1.00 1.36 C ATOM 438 CG ARG A 30 -7.720 -5.263 -12.503 1.00 2.71 C ATOM 439 CD ARG A 30 -8.971 -4.894 -11.693 1.00 4.17 C ATOM 440 NE ARG A 30 -10.055 -5.868 -11.898 1.00 5.25 N ATOM 441 CZ ARG A 30 -10.895 -5.889 -12.946 1.00 5.65 C ATOM 442 NH1 ARG A 30 -10.756 -4.991 -13.929 1.00 5.27 N ATOM 443 NH2 ARG A 30 -11.866 -6.807 -13.009 1.00 7.07 N ATOM 0 H ARG A 30 -4.500 -2.909 -11.900 1.00 0.90 H new ATOM 0 HA ARG A 30 -7.020 -3.437 -10.455 1.00 1.07 H new ATOM 0 HB2 ARG A 30 -7.011 -3.278 -12.926 1.00 1.36 H new ATOM 0 HB3 ARG A 30 -5.771 -4.514 -13.014 1.00 1.36 H new ATOM 0 HG2 ARG A 30 -8.001 -5.430 -13.543 1.00 2.71 H new ATOM 0 HG3 ARG A 30 -7.313 -6.202 -12.128 1.00 2.71 H new ATOM 0 HD2 ARG A 30 -8.719 -4.847 -10.634 1.00 4.17 H new ATOM 0 HD3 ARG A 30 -9.314 -3.901 -11.983 1.00 4.17 H new ATOM 0 HE ARG A 30 -10.179 -6.587 -11.185 1.00 5.25 H new ATOM 0 HH11 ARG A 30 -10.014 -4.293 -13.881 1.00 5.27 H new ATOM 0 HH12 ARG A 30 -11.392 -5.005 -14.726 1.00 5.27 H new ATOM 0 HH21 ARG A 30 -11.969 -7.492 -12.261 1.00 7.07 H new ATOM 0 HH22 ARG A 30 -12.503 -6.822 -13.805 1.00 7.07 H new ATOM 457 N GLY A 31 -4.331 -5.233 -10.225 1.00 0.72 N ATOM 458 CA GLY A 31 -3.729 -6.362 -9.533 1.00 0.68 C ATOM 459 C GLY A 31 -3.830 -6.234 -8.010 1.00 0.68 C ATOM 460 O GLY A 31 -3.722 -7.233 -7.300 1.00 0.93 O ATOM 0 H GLY A 31 -3.658 -4.619 -10.683 1.00 0.72 H new ATOM 0 HA2 GLY A 31 -4.219 -7.283 -9.851 1.00 0.68 H new ATOM 0 HA3 GLY A 31 -2.680 -6.443 -9.819 1.00 0.68 H new ATOM 464 N ILE A 32 -4.045 -5.015 -7.494 1.00 0.79 N ATOM 465 CA ILE A 32 -4.484 -4.833 -6.124 1.00 0.79 C ATOM 466 C ILE A 32 -6.008 -4.992 -6.146 1.00 0.77 C ATOM 467 O ILE A 32 -6.676 -4.360 -6.962 1.00 1.03 O ATOM 468 CB ILE A 32 -3.963 -3.502 -5.538 1.00 0.97 C ATOM 469 CG1 ILE A 32 -4.639 -2.233 -6.066 1.00 1.46 C ATOM 470 CG2 ILE A 32 -2.448 -3.392 -5.748 1.00 1.65 C ATOM 471 CD1 ILE A 32 -5.831 -1.842 -5.192 1.00 2.38 C ATOM 0 H ILE A 32 -3.919 -4.147 -8.014 1.00 0.79 H new ATOM 0 HA ILE A 32 -4.068 -5.576 -5.443 1.00 0.79 H new ATOM 0 HB ILE A 32 -4.220 -3.549 -4.480 1.00 0.97 H new ATOM 0 HG12 ILE A 32 -3.918 -1.416 -6.090 1.00 1.46 H new ATOM 0 HG13 ILE A 32 -4.973 -2.394 -7.091 1.00 1.46 H new ATOM 0 HG21 ILE A 32 -2.090 -2.450 -5.332 1.00 1.65 H new ATOM 0 HG22 ILE A 32 -1.950 -4.222 -5.248 1.00 1.65 H new ATOM 0 HG23 ILE A 32 -2.225 -3.425 -6.814 1.00 1.65 H new ATOM 0 HD11 ILE A 32 -6.292 -0.938 -5.589 1.00 2.38 H new ATOM 0 HD12 ILE A 32 -6.561 -2.651 -5.189 1.00 2.38 H new ATOM 0 HD13 ILE A 32 -5.490 -1.658 -4.173 1.00 2.38 H new ATOM 483 N LEU A 33 -6.559 -5.856 -5.293 1.00 0.69 N ATOM 484 CA LEU A 33 -8.000 -6.035 -5.180 1.00 0.69 C ATOM 485 C LEU A 33 -8.586 -4.913 -4.327 1.00 0.67 C ATOM 486 O LEU A 33 -9.694 -4.455 -4.596 1.00 0.78 O ATOM 487 CB LEU A 33 -8.362 -7.394 -4.554 1.00 0.68 C ATOM 488 CG LEU A 33 -8.102 -8.650 -5.407 1.00 0.98 C ATOM 489 CD1 LEU A 33 -8.594 -8.517 -6.852 1.00 2.47 C ATOM 490 CD2 LEU A 33 -6.636 -9.077 -5.392 1.00 2.46 C ATOM 0 H LEU A 33 -6.017 -6.449 -4.664 1.00 0.69 H new ATOM 0 HA LEU A 33 -8.419 -6.007 -6.186 1.00 0.69 H new ATOM 0 HB2 LEU A 33 -7.806 -7.496 -3.622 1.00 0.68 H new ATOM 0 HB3 LEU A 33 -9.420 -7.375 -4.293 1.00 0.68 H new ATOM 0 HG LEU A 33 -8.693 -9.432 -4.930 1.00 0.98 H new ATOM 0 HD11 LEU A 33 -8.379 -9.437 -7.396 1.00 2.47 H new ATOM 0 HD12 LEU A 33 -9.669 -8.336 -6.855 1.00 2.47 H new ATOM 0 HD13 LEU A 33 -8.085 -7.683 -7.335 1.00 2.47 H new ATOM 0 HD21 LEU A 33 -6.510 -9.967 -6.009 1.00 2.46 H new ATOM 0 HD22 LEU A 33 -6.018 -8.271 -5.787 1.00 2.46 H new ATOM 0 HD23 LEU A 33 -6.332 -9.299 -4.369 1.00 2.46 H new ATOM 502 N TYR A 34 -7.878 -4.494 -3.273 1.00 0.57 N ATOM 503 CA TYR A 34 -8.386 -3.498 -2.344 1.00 0.58 C ATOM 504 C TYR A 34 -7.196 -2.828 -1.689 1.00 0.51 C ATOM 505 O TYR A 34 -6.152 -3.464 -1.555 1.00 0.47 O ATOM 506 CB TYR A 34 -9.249 -4.179 -1.275 1.00 0.66 C ATOM 507 CG TYR A 34 -9.824 -3.238 -0.234 1.00 0.70 C ATOM 508 CD1 TYR A 34 -10.751 -2.250 -0.614 1.00 1.89 C ATOM 509 CD2 TYR A 34 -9.414 -3.334 1.110 1.00 2.20 C ATOM 510 CE1 TYR A 34 -11.274 -1.370 0.348 1.00 1.87 C ATOM 511 CE2 TYR A 34 -9.964 -2.474 2.077 1.00 2.32 C ATOM 512 CZ TYR A 34 -10.892 -1.490 1.694 1.00 0.98 C ATOM 513 OH TYR A 34 -11.470 -0.690 2.634 1.00 1.24 O ATOM 0 H TYR A 34 -6.944 -4.837 -3.047 1.00 0.57 H new ATOM 0 HA TYR A 34 -8.998 -2.764 -2.868 1.00 0.58 H new ATOM 0 HB2 TYR A 34 -10.070 -4.700 -1.767 1.00 0.66 H new ATOM 0 HB3 TYR A 34 -8.649 -4.935 -0.770 1.00 0.66 H new ATOM 0 HD1 TYR A 34 -11.060 -2.168 -1.645 1.00 1.89 H new ATOM 0 HD2 TYR A 34 -8.677 -4.069 1.398 1.00 2.20 H new ATOM 0 HE1 TYR A 34 -11.971 -0.600 0.052 1.00 1.87 H new ATOM 0 HE2 TYR A 34 -9.674 -2.569 3.113 1.00 2.32 H new ATOM 0 HH TYR A 34 -11.097 -0.899 3.516 1.00 1.24 H new ATOM 523 N CYS A 35 -7.367 -1.581 -1.244 1.00 0.56 N ATOM 524 CA CYS A 35 -6.400 -0.915 -0.396 1.00 0.58 C ATOM 525 C CYS A 35 -7.133 -0.129 0.686 1.00 0.61 C ATOM 526 O CYS A 35 -8.255 0.322 0.466 1.00 1.04 O ATOM 527 CB CYS A 35 -5.439 -0.054 -1.218 1.00 0.74 C ATOM 528 SG CYS A 35 -6.216 1.478 -1.757 1.00 2.14 S ATOM 0 H CYS A 35 -8.184 -1.012 -1.467 1.00 0.56 H new ATOM 0 HA CYS A 35 -5.775 -1.658 0.100 1.00 0.58 H new ATOM 0 HB2 CYS A 35 -4.555 0.176 -0.622 1.00 0.74 H new ATOM 0 HB3 CYS A 35 -5.100 -0.616 -2.088 1.00 0.74 H new ATOM 0 HG CYS A 35 -7.251 1.204 -2.495 1.00 2.14 H new ATOM 534 N SER A 36 -6.520 -0.045 1.868 1.00 0.42 N ATOM 535 CA SER A 36 -6.965 0.773 2.983 1.00 0.53 C ATOM 536 C SER A 36 -5.715 1.294 3.686 1.00 0.48 C ATOM 537 O SER A 36 -5.067 0.527 4.411 1.00 0.64 O ATOM 538 CB SER A 36 -7.839 -0.058 3.933 1.00 0.74 C ATOM 539 OG SER A 36 -8.045 0.611 5.171 1.00 1.58 O ATOM 0 H SER A 36 -5.669 -0.567 2.076 1.00 0.42 H new ATOM 0 HA SER A 36 -7.575 1.609 2.641 1.00 0.53 H new ATOM 0 HB2 SER A 36 -8.801 -0.258 3.462 1.00 0.74 H new ATOM 0 HB3 SER A 36 -7.366 -1.023 4.114 1.00 0.74 H new ATOM 0 HG SER A 36 -8.606 0.057 5.753 1.00 1.58 H new ATOM 545 N VAL A 37 -5.389 2.573 3.500 1.00 0.47 N ATOM 546 CA VAL A 37 -4.293 3.238 4.195 1.00 0.46 C ATOM 547 C VAL A 37 -4.799 3.870 5.493 1.00 0.51 C ATOM 548 O VAL A 37 -5.996 4.107 5.649 1.00 0.73 O ATOM 549 CB VAL A 37 -3.595 4.261 3.282 1.00 0.68 C ATOM 550 CG1 VAL A 37 -2.749 3.568 2.214 1.00 1.30 C ATOM 551 CG2 VAL A 37 -4.586 5.170 2.564 1.00 1.80 C ATOM 0 H VAL A 37 -5.888 3.183 2.852 1.00 0.47 H new ATOM 0 HA VAL A 37 -3.541 2.494 4.460 1.00 0.46 H new ATOM 0 HB VAL A 37 -2.965 4.858 3.941 1.00 0.68 H new ATOM 0 HG11 VAL A 37 -2.270 4.319 1.586 1.00 1.30 H new ATOM 0 HG12 VAL A 37 -1.986 2.956 2.695 1.00 1.30 H new ATOM 0 HG13 VAL A 37 -3.388 2.934 1.599 1.00 1.30 H new ATOM 0 HG21 VAL A 37 -4.043 5.873 1.933 1.00 1.80 H new ATOM 0 HG22 VAL A 37 -5.251 4.567 1.946 1.00 1.80 H new ATOM 0 HG23 VAL A 37 -5.173 5.721 3.299 1.00 1.80 H new ATOM 561 N ALA A 38 -3.900 4.137 6.444 1.00 0.49 N ATOM 562 CA ALA A 38 -4.197 5.033 7.554 1.00 0.58 C ATOM 563 C ALA A 38 -2.922 5.626 8.122 1.00 0.58 C ATOM 564 O ALA A 38 -2.021 4.880 8.503 1.00 0.62 O ATOM 565 CB ALA A 38 -4.912 4.315 8.698 1.00 0.66 C ATOM 0 H ALA A 38 -2.960 3.742 6.463 1.00 0.49 H new ATOM 0 HA ALA A 38 -4.844 5.811 7.149 1.00 0.58 H new ATOM 0 HB1 ALA A 38 -5.113 5.022 9.503 1.00 0.66 H new ATOM 0 HB2 ALA A 38 -5.853 3.901 8.336 1.00 0.66 H new ATOM 0 HB3 ALA A 38 -4.281 3.509 9.073 1.00 0.66 H new ATOM 571 N LEU A 39 -2.901 6.950 8.284 1.00 0.67 N ATOM 572 CA LEU A 39 -1.889 7.625 9.083 1.00 0.69 C ATOM 573 C LEU A 39 -2.029 7.306 10.570 1.00 0.66 C ATOM 574 O LEU A 39 -1.037 7.342 11.290 1.00 0.75 O ATOM 575 CB LEU A 39 -1.791 9.125 8.754 1.00 0.95 C ATOM 576 CG LEU A 39 -3.056 9.991 8.910 1.00 0.74 C ATOM 577 CD1 LEU A 39 -3.456 10.232 10.371 1.00 1.47 C ATOM 578 CD2 LEU A 39 -2.776 11.356 8.268 1.00 1.12 C ATOM 0 H LEU A 39 -3.585 7.579 7.864 1.00 0.67 H new ATOM 0 HA LEU A 39 -0.918 7.219 8.800 1.00 0.69 H new ATOM 0 HB2 LEU A 39 -1.014 9.554 9.387 1.00 0.95 H new ATOM 0 HB3 LEU A 39 -1.450 9.218 7.723 1.00 0.95 H new ATOM 0 HG LEU A 39 -3.876 9.455 8.432 1.00 0.74 H new ATOM 0 HD11 LEU A 39 -4.354 10.849 10.405 1.00 1.47 H new ATOM 0 HD12 LEU A 39 -3.653 9.276 10.857 1.00 1.47 H new ATOM 0 HD13 LEU A 39 -2.645 10.743 10.891 1.00 1.47 H new ATOM 0 HD21 LEU A 39 -3.657 11.991 8.364 1.00 1.12 H new ATOM 0 HD22 LEU A 39 -1.932 11.828 8.771 1.00 1.12 H new ATOM 0 HD23 LEU A 39 -2.540 11.220 7.213 1.00 1.12 H new ATOM 590 N ALA A 40 -3.223 6.913 11.026 1.00 0.76 N ATOM 591 CA ALA A 40 -3.428 6.504 12.410 1.00 0.93 C ATOM 592 C ALA A 40 -2.441 5.395 12.782 1.00 0.88 C ATOM 593 O ALA A 40 -1.785 5.457 13.817 1.00 1.11 O ATOM 594 CB ALA A 40 -4.877 6.048 12.610 1.00 1.21 C ATOM 0 H ALA A 40 -4.063 6.871 10.449 1.00 0.76 H new ATOM 0 HA ALA A 40 -3.245 7.353 13.069 1.00 0.93 H new ATOM 0 HB1 ALA A 40 -5.023 5.744 13.646 1.00 1.21 H new ATOM 0 HB2 ALA A 40 -5.553 6.870 12.374 1.00 1.21 H new ATOM 0 HB3 ALA A 40 -5.087 5.205 11.951 1.00 1.21 H new ATOM 600 N THR A 41 -2.334 4.386 11.914 1.00 0.77 N ATOM 601 CA THR A 41 -1.429 3.258 12.079 1.00 0.83 C ATOM 602 C THR A 41 -0.117 3.448 11.298 1.00 0.82 C ATOM 603 O THR A 41 0.839 2.716 11.530 1.00 1.16 O ATOM 604 CB THR A 41 -2.146 1.971 11.649 1.00 1.10 C ATOM 605 OG1 THR A 41 -3.480 2.236 11.242 1.00 1.97 O ATOM 606 CG2 THR A 41 -2.165 0.919 12.757 1.00 1.49 C ATOM 0 H THR A 41 -2.889 4.334 11.060 1.00 0.77 H new ATOM 0 HA THR A 41 -1.153 3.188 13.131 1.00 0.83 H new ATOM 0 HB THR A 41 -1.578 1.576 10.807 1.00 1.10 H new ATOM 0 HG1 THR A 41 -4.004 1.409 11.279 1.00 1.97 H new ATOM 0 HG21 THR A 41 -2.683 0.028 12.404 1.00 1.49 H new ATOM 0 HG22 THR A 41 -1.142 0.660 13.030 1.00 1.49 H new ATOM 0 HG23 THR A 41 -2.683 1.318 13.629 1.00 1.49 H new ATOM 614 N ASN A 42 -0.091 4.372 10.326 1.00 0.66 N ATOM 615 CA ASN A 42 0.915 4.441 9.261 1.00 0.72 C ATOM 616 C ASN A 42 0.904 3.132 8.470 1.00 0.76 C ATOM 617 O ASN A 42 1.957 2.664 8.050 1.00 1.19 O ATOM 618 CB ASN A 42 2.329 4.817 9.775 1.00 0.89 C ATOM 619 CG ASN A 42 2.511 6.313 10.007 1.00 1.16 C ATOM 620 OD1 ASN A 42 3.514 6.910 9.597 1.00 2.59 O ATOM 621 ND2 ASN A 42 1.527 6.948 10.628 1.00 1.11 N ATOM 0 H ASN A 42 -0.790 5.112 10.259 1.00 0.66 H new ATOM 0 HA ASN A 42 0.644 5.258 8.592 1.00 0.72 H new ATOM 0 HB2 ASN A 42 2.522 4.286 10.707 1.00 0.89 H new ATOM 0 HB3 ASN A 42 3.072 4.476 9.054 1.00 0.89 H new ATOM 0 HD21 ASN A 42 1.585 7.955 10.779 1.00 1.11 H new ATOM 0 HD22 ASN A 42 0.712 6.429 10.955 1.00 1.11 H new ATOM 628 N LYS A 43 -0.278 2.549 8.236 1.00 0.54 N ATOM 629 CA LYS A 43 -0.415 1.240 7.608 1.00 0.56 C ATOM 630 C LYS A 43 -1.030 1.386 6.238 1.00 0.47 C ATOM 631 O LYS A 43 -1.715 2.374 5.966 1.00 0.49 O ATOM 632 CB LYS A 43 -1.238 0.255 8.455 1.00 0.70 C ATOM 633 CG LYS A 43 -2.706 0.658 8.692 1.00 1.23 C ATOM 634 CD LYS A 43 -3.671 0.234 7.576 1.00 1.19 C ATOM 635 CE LYS A 43 -5.118 0.564 7.953 1.00 1.58 C ATOM 636 NZ LYS A 43 -6.051 0.085 6.908 1.00 2.59 N ATOM 0 H LYS A 43 -1.169 2.980 8.481 1.00 0.54 H new ATOM 0 HA LYS A 43 0.588 0.822 7.521 1.00 0.56 H new ATOM 0 HB2 LYS A 43 -1.220 -0.720 7.968 1.00 0.70 H new ATOM 0 HB3 LYS A 43 -0.750 0.137 9.422 1.00 0.70 H new ATOM 0 HG2 LYS A 43 -3.043 0.220 9.632 1.00 1.23 H new ATOM 0 HG3 LYS A 43 -2.758 1.741 8.808 1.00 1.23 H new ATOM 0 HD2 LYS A 43 -3.407 0.742 6.649 1.00 1.19 H new ATOM 0 HD3 LYS A 43 -3.573 -0.836 7.392 1.00 1.19 H new ATOM 0 HE2 LYS A 43 -5.365 0.101 8.908 1.00 1.58 H new ATOM 0 HE3 LYS A 43 -5.229 1.641 8.082 1.00 1.58 H new ATOM 0 HZ1 LYS A 43 -6.792 0.798 6.751 1.00 2.59 H new ATOM 0 HZ2 LYS A 43 -5.529 -0.073 6.023 1.00 2.59 H new ATOM 0 HZ3 LYS A 43 -6.489 -0.807 7.216 1.00 2.59 H new ATOM 650 N ALA A 44 -0.839 0.348 5.431 1.00 0.50 N ATOM 651 CA ALA A 44 -1.650 0.045 4.277 1.00 0.46 C ATOM 652 C ALA A 44 -1.957 -1.445 4.323 1.00 0.49 C ATOM 653 O ALA A 44 -1.040 -2.262 4.390 1.00 0.71 O ATOM 654 CB ALA A 44 -0.933 0.478 3.005 1.00 0.52 C ATOM 0 H ALA A 44 -0.086 -0.324 5.575 1.00 0.50 H new ATOM 0 HA ALA A 44 -2.592 0.594 4.283 1.00 0.46 H new ATOM 0 HB1 ALA A 44 -1.554 0.245 2.140 1.00 0.52 H new ATOM 0 HB2 ALA A 44 -0.747 1.552 3.039 1.00 0.52 H new ATOM 0 HB3 ALA A 44 0.016 -0.052 2.924 1.00 0.52 H new ATOM 660 N HIS A 45 -3.249 -1.775 4.339 1.00 0.48 N ATOM 661 CA HIS A 45 -3.758 -3.114 4.098 1.00 0.51 C ATOM 662 C HIS A 45 -4.135 -3.117 2.629 1.00 0.48 C ATOM 663 O HIS A 45 -5.081 -2.423 2.257 1.00 0.54 O ATOM 664 CB HIS A 45 -4.951 -3.374 5.028 1.00 0.59 C ATOM 665 CG HIS A 45 -5.613 -4.717 4.846 1.00 0.65 C ATOM 666 ND1 HIS A 45 -5.667 -5.730 5.776 1.00 0.83 N ATOM 667 CD2 HIS A 45 -6.350 -5.118 3.765 1.00 0.72 C ATOM 668 CE1 HIS A 45 -6.423 -6.715 5.264 1.00 0.93 C ATOM 669 NE2 HIS A 45 -6.857 -6.392 4.034 1.00 0.91 N ATOM 0 H HIS A 45 -3.986 -1.095 4.526 1.00 0.48 H new ATOM 0 HA HIS A 45 -3.042 -3.909 4.307 1.00 0.51 H new ATOM 0 HB2 HIS A 45 -4.614 -3.288 6.061 1.00 0.59 H new ATOM 0 HB3 HIS A 45 -5.695 -2.593 4.869 1.00 0.59 H new ATOM 0 HD1 HIS A 45 -5.214 -5.732 6.690 1.00 0.83 H new ATOM 0 HD2 HIS A 45 -6.512 -4.549 2.861 1.00 0.72 H new ATOM 0 HE1 HIS A 45 -6.651 -7.641 5.772 1.00 0.93 H new ATOM 677 N ILE A 46 -3.363 -3.831 1.808 1.00 0.51 N ATOM 678 CA ILE A 46 -3.561 -3.906 0.374 1.00 0.47 C ATOM 679 C ILE A 46 -3.796 -5.368 0.024 1.00 0.64 C ATOM 680 O ILE A 46 -2.860 -6.163 0.022 1.00 1.32 O ATOM 681 CB ILE A 46 -2.362 -3.300 -0.371 1.00 0.61 C ATOM 682 CG1 ILE A 46 -2.079 -1.886 0.167 1.00 1.51 C ATOM 683 CG2 ILE A 46 -2.661 -3.280 -1.880 1.00 1.29 C ATOM 684 CD1 ILE A 46 -0.879 -1.240 -0.515 1.00 1.75 C ATOM 0 H ILE A 46 -2.569 -4.381 2.136 1.00 0.51 H new ATOM 0 HA ILE A 46 -4.427 -3.322 0.063 1.00 0.47 H new ATOM 0 HB ILE A 46 -1.471 -3.905 -0.206 1.00 0.61 H new ATOM 0 HG12 ILE A 46 -2.959 -1.260 0.019 1.00 1.51 H new ATOM 0 HG13 ILE A 46 -1.900 -1.937 1.241 1.00 1.51 H new ATOM 0 HG21 ILE A 46 -1.813 -2.851 -2.413 1.00 1.29 H new ATOM 0 HG22 ILE A 46 -2.833 -4.298 -2.230 1.00 1.29 H new ATOM 0 HG23 ILE A 46 -3.550 -2.677 -2.067 1.00 1.29 H new ATOM 0 HD11 ILE A 46 -0.719 -0.244 -0.102 1.00 1.75 H new ATOM 0 HD12 ILE A 46 0.008 -1.850 -0.345 1.00 1.75 H new ATOM 0 HD13 ILE A 46 -1.067 -1.163 -1.586 1.00 1.75 H new ATOM 696 N LYS A 47 -5.044 -5.741 -0.255 1.00 0.45 N ATOM 697 CA LYS A 47 -5.320 -7.079 -0.745 1.00 0.49 C ATOM 698 C LYS A 47 -4.996 -7.094 -2.233 1.00 0.48 C ATOM 699 O LYS A 47 -5.265 -6.110 -2.924 1.00 0.62 O ATOM 700 CB LYS A 47 -6.767 -7.473 -0.472 1.00 0.66 C ATOM 701 CG LYS A 47 -7.085 -7.541 1.026 1.00 0.68 C ATOM 702 CD LYS A 47 -8.449 -8.205 1.270 1.00 1.07 C ATOM 703 CE LYS A 47 -8.378 -9.713 1.567 1.00 1.66 C ATOM 704 NZ LYS A 47 -7.514 -10.465 0.636 1.00 2.71 N ATOM 0 H LYS A 47 -5.864 -5.143 -0.151 1.00 0.45 H new ATOM 0 HA LYS A 47 -4.705 -7.815 -0.227 1.00 0.49 H new ATOM 0 HB2 LYS A 47 -7.432 -6.753 -0.949 1.00 0.66 H new ATOM 0 HB3 LYS A 47 -6.968 -8.443 -0.927 1.00 0.66 H new ATOM 0 HG2 LYS A 47 -6.306 -8.102 1.542 1.00 0.68 H new ATOM 0 HG3 LYS A 47 -7.085 -6.536 1.447 1.00 0.68 H new ATOM 0 HD2 LYS A 47 -8.938 -7.705 2.106 1.00 1.07 H new ATOM 0 HD3 LYS A 47 -9.077 -8.049 0.393 1.00 1.07 H new ATOM 0 HE2 LYS A 47 -8.012 -9.856 2.584 1.00 1.66 H new ATOM 0 HE3 LYS A 47 -9.385 -10.129 1.529 1.00 1.66 H new ATOM 0 HZ1 LYS A 47 -7.646 -11.485 0.788 1.00 2.71 H new ATOM 0 HZ2 LYS A 47 -7.768 -10.225 -0.344 1.00 2.71 H new ATOM 0 HZ3 LYS A 47 -6.519 -10.215 0.807 1.00 2.71 H new ATOM 718 N TYR A 48 -4.367 -8.167 -2.713 1.00 0.68 N ATOM 719 CA TYR A 48 -3.626 -8.140 -3.960 1.00 0.68 C ATOM 720 C TYR A 48 -3.447 -9.547 -4.514 1.00 0.66 C ATOM 721 O TYR A 48 -3.320 -10.487 -3.733 1.00 0.79 O ATOM 722 CB TYR A 48 -2.270 -7.448 -3.738 1.00 0.84 C ATOM 723 CG TYR A 48 -1.184 -8.248 -3.023 1.00 0.84 C ATOM 724 CD1 TYR A 48 -1.432 -8.916 -1.806 1.00 1.89 C ATOM 725 CD2 TYR A 48 0.111 -8.291 -3.570 1.00 1.62 C ATOM 726 CE1 TYR A 48 -0.431 -9.710 -1.215 1.00 1.99 C ATOM 727 CE2 TYR A 48 1.126 -9.034 -2.949 1.00 1.64 C ATOM 728 CZ TYR A 48 0.846 -9.771 -1.790 1.00 1.05 C ATOM 729 OH TYR A 48 1.828 -10.522 -1.216 1.00 1.19 O ATOM 0 H TYR A 48 -4.361 -9.073 -2.245 1.00 0.68 H new ATOM 0 HA TYR A 48 -4.190 -7.571 -4.699 1.00 0.68 H new ATOM 0 HB2 TYR A 48 -1.882 -7.147 -4.711 1.00 0.84 H new ATOM 0 HB3 TYR A 48 -2.446 -6.535 -3.169 1.00 0.84 H new ATOM 0 HD1 TYR A 48 -2.394 -8.818 -1.325 1.00 1.89 H new ATOM 0 HD2 TYR A 48 0.326 -7.746 -4.477 1.00 1.62 H new ATOM 0 HE1 TYR A 48 -0.647 -10.272 -0.319 1.00 1.99 H new ATOM 0 HE2 TYR A 48 2.123 -9.038 -3.364 1.00 1.64 H new ATOM 0 HH TYR A 48 2.648 -10.450 -1.748 1.00 1.19 H new ATOM 739 N ASP A 49 -3.414 -9.679 -5.842 1.00 0.66 N ATOM 740 CA ASP A 49 -3.005 -10.904 -6.515 1.00 0.76 C ATOM 741 C ASP A 49 -1.477 -10.843 -6.632 1.00 0.76 C ATOM 742 O ASP A 49 -0.965 -10.076 -7.452 1.00 0.77 O ATOM 743 CB ASP A 49 -3.670 -11.002 -7.896 1.00 0.95 C ATOM 744 CG ASP A 49 -5.097 -11.528 -7.838 1.00 1.77 C ATOM 745 OD1 ASP A 49 -5.270 -12.642 -7.299 1.00 2.65 O ATOM 746 OD2 ASP A 49 -5.989 -10.819 -8.353 1.00 3.15 O ATOM 0 H ASP A 49 -3.674 -8.929 -6.482 1.00 0.66 H new ATOM 0 HA ASP A 49 -3.311 -11.790 -5.959 1.00 0.76 H new ATOM 0 HB2 ASP A 49 -3.671 -10.017 -8.362 1.00 0.95 H new ATOM 0 HB3 ASP A 49 -3.074 -11.655 -8.533 1.00 0.95 H new ATOM 751 N PRO A 50 -0.726 -11.588 -5.799 1.00 0.94 N ATOM 752 CA PRO A 50 0.701 -11.368 -5.623 1.00 1.19 C ATOM 753 C PRO A 50 1.456 -11.542 -6.933 1.00 1.55 C ATOM 754 O PRO A 50 2.179 -10.641 -7.354 1.00 2.54 O ATOM 755 CB PRO A 50 1.156 -12.361 -4.545 1.00 1.27 C ATOM 756 CG PRO A 50 0.076 -13.444 -4.543 1.00 1.27 C ATOM 757 CD PRO A 50 -1.184 -12.681 -4.952 1.00 1.06 C ATOM 0 HA PRO A 50 0.912 -10.345 -5.310 1.00 1.19 H new ATOM 0 HB2 PRO A 50 2.136 -12.778 -4.777 1.00 1.27 H new ATOM 0 HB3 PRO A 50 1.237 -11.880 -3.570 1.00 1.27 H new ATOM 0 HG2 PRO A 50 0.308 -14.245 -5.245 1.00 1.27 H new ATOM 0 HG3 PRO A 50 -0.032 -13.903 -3.560 1.00 1.27 H new ATOM 0 HD2 PRO A 50 -1.877 -13.329 -5.489 1.00 1.06 H new ATOM 0 HD3 PRO A 50 -1.714 -12.303 -4.078 1.00 1.06 H new ATOM 765 N GLU A 51 1.271 -12.702 -7.562 1.00 1.66 N ATOM 766 CA GLU A 51 1.893 -13.076 -8.816 1.00 1.89 C ATOM 767 C GLU A 51 1.647 -12.031 -9.907 1.00 1.66 C ATOM 768 O GLU A 51 2.565 -11.684 -10.648 1.00 2.04 O ATOM 769 CB GLU A 51 1.389 -14.472 -9.208 1.00 2.30 C ATOM 770 CG GLU A 51 -0.141 -14.583 -9.325 1.00 1.80 C ATOM 771 CD GLU A 51 -0.567 -16.043 -9.331 1.00 2.19 C ATOM 772 OE1 GLU A 51 -0.667 -16.595 -8.215 1.00 3.02 O ATOM 773 OE2 GLU A 51 -0.755 -16.578 -10.443 1.00 2.55 O ATOM 0 H GLU A 51 0.659 -13.429 -7.192 1.00 1.66 H new ATOM 0 HA GLU A 51 2.976 -13.113 -8.695 1.00 1.89 H new ATOM 0 HB2 GLU A 51 1.836 -14.752 -10.162 1.00 2.30 H new ATOM 0 HB3 GLU A 51 1.738 -15.193 -8.468 1.00 2.30 H new ATOM 0 HG2 GLU A 51 -0.615 -14.063 -8.492 1.00 1.80 H new ATOM 0 HG3 GLU A 51 -0.479 -14.095 -10.239 1.00 1.80 H new ATOM 780 N ILE A 52 0.410 -11.542 -10.017 1.00 1.31 N ATOM 781 CA ILE A 52 0.020 -10.648 -11.093 1.00 1.27 C ATOM 782 C ILE A 52 0.617 -9.256 -10.880 1.00 0.96 C ATOM 783 O ILE A 52 1.149 -8.670 -11.820 1.00 1.24 O ATOM 784 CB ILE A 52 -1.516 -10.670 -11.294 1.00 1.57 C ATOM 785 CG1 ILE A 52 -1.894 -10.971 -12.755 1.00 2.31 C ATOM 786 CG2 ILE A 52 -2.251 -9.418 -10.794 1.00 1.83 C ATOM 787 CD1 ILE A 52 -1.439 -9.904 -13.757 1.00 2.96 C ATOM 0 H ILE A 52 -0.342 -11.757 -9.362 1.00 1.31 H new ATOM 0 HA ILE A 52 0.438 -11.000 -12.036 1.00 1.27 H new ATOM 0 HB ILE A 52 -1.860 -11.486 -10.658 1.00 1.57 H new ATOM 0 HG12 ILE A 52 -1.460 -11.929 -13.040 1.00 2.31 H new ATOM 0 HG13 ILE A 52 -2.977 -11.079 -12.823 1.00 2.31 H new ATOM 0 HG21 ILE A 52 -3.320 -9.526 -10.978 1.00 1.83 H new ATOM 0 HG22 ILE A 52 -2.077 -9.297 -9.725 1.00 1.83 H new ATOM 0 HG23 ILE A 52 -1.879 -8.541 -11.324 1.00 1.83 H new ATOM 0 HD11 ILE A 52 -1.746 -10.194 -14.762 1.00 2.96 H new ATOM 0 HD12 ILE A 52 -1.894 -8.947 -13.501 1.00 2.96 H new ATOM 0 HD13 ILE A 52 -0.354 -9.811 -13.722 1.00 2.96 H new ATOM 799 N ILE A 53 0.509 -8.707 -9.664 1.00 0.60 N ATOM 800 CA ILE A 53 0.892 -7.321 -9.428 1.00 0.83 C ATOM 801 C ILE A 53 2.377 -7.219 -9.069 1.00 1.72 C ATOM 802 O ILE A 53 3.090 -6.397 -9.632 1.00 3.98 O ATOM 803 CB ILE A 53 -0.060 -6.673 -8.403 1.00 0.76 C ATOM 804 CG1 ILE A 53 -0.314 -5.178 -8.667 1.00 1.31 C ATOM 805 CG2 ILE A 53 0.321 -6.914 -6.943 1.00 1.08 C ATOM 806 CD1 ILE A 53 0.939 -4.300 -8.692 1.00 0.84 C ATOM 0 H ILE A 53 0.163 -9.199 -8.841 1.00 0.60 H new ATOM 0 HA ILE A 53 0.781 -6.743 -10.346 1.00 0.83 H new ATOM 0 HB ILE A 53 -1.001 -7.200 -8.563 1.00 0.76 H new ATOM 0 HG12 ILE A 53 -0.829 -5.076 -9.622 1.00 1.31 H new ATOM 0 HG13 ILE A 53 -0.989 -4.799 -7.899 1.00 1.31 H new ATOM 0 HG21 ILE A 53 -0.402 -6.423 -6.292 1.00 1.08 H new ATOM 0 HG22 ILE A 53 0.324 -7.985 -6.740 1.00 1.08 H new ATOM 0 HG23 ILE A 53 1.314 -6.506 -6.754 1.00 1.08 H new ATOM 0 HD11 ILE A 53 0.655 -3.266 -8.885 1.00 0.84 H new ATOM 0 HD12 ILE A 53 1.447 -4.363 -7.730 1.00 0.84 H new ATOM 0 HD13 ILE A 53 1.609 -4.645 -9.479 1.00 0.84 H new ATOM 818 N GLY A 54 2.843 -8.053 -8.135 1.00 0.86 N ATOM 819 CA GLY A 54 4.164 -7.952 -7.537 1.00 1.24 C ATOM 820 C GLY A 54 4.106 -7.119 -6.247 1.00 1.04 C ATOM 821 O GLY A 54 3.821 -5.922 -6.308 1.00 1.03 O ATOM 0 H GLY A 54 2.295 -8.832 -7.770 1.00 0.86 H new ATOM 0 HA2 GLY A 54 4.548 -8.948 -7.317 1.00 1.24 H new ATOM 0 HA3 GLY A 54 4.856 -7.493 -8.243 1.00 1.24 H new ATOM 825 N PRO A 55 4.405 -7.690 -5.063 1.00 1.00 N ATOM 826 CA PRO A 55 4.505 -6.905 -3.835 1.00 0.95 C ATOM 827 C PRO A 55 5.598 -5.843 -3.990 1.00 0.81 C ATOM 828 O PRO A 55 5.428 -4.693 -3.584 1.00 0.83 O ATOM 829 CB PRO A 55 4.819 -7.901 -2.716 1.00 1.09 C ATOM 830 CG PRO A 55 5.442 -9.097 -3.437 1.00 1.13 C ATOM 831 CD PRO A 55 4.815 -9.069 -4.833 1.00 1.11 C ATOM 0 HA PRO A 55 3.584 -6.369 -3.607 1.00 0.95 H new ATOM 0 HB2 PRO A 55 5.507 -7.475 -1.986 1.00 1.09 H new ATOM 0 HB3 PRO A 55 3.917 -8.188 -2.175 1.00 1.09 H new ATOM 0 HG2 PRO A 55 6.527 -9.009 -3.487 1.00 1.13 H new ATOM 0 HG3 PRO A 55 5.221 -10.031 -2.921 1.00 1.13 H new ATOM 0 HD2 PRO A 55 5.530 -9.394 -5.588 1.00 1.11 H new ATOM 0 HD3 PRO A 55 3.961 -9.744 -4.891 1.00 1.11 H new ATOM 839 N ARG A 56 6.696 -6.238 -4.641 1.00 0.79 N ATOM 840 CA ARG A 56 7.718 -5.355 -5.182 1.00 0.95 C ATOM 841 C ARG A 56 7.088 -4.089 -5.769 1.00 0.72 C ATOM 842 O ARG A 56 7.502 -2.979 -5.461 1.00 0.69 O ATOM 843 CB ARG A 56 8.473 -6.135 -6.272 1.00 1.43 C ATOM 844 CG ARG A 56 9.663 -5.355 -6.842 1.00 2.25 C ATOM 845 CD ARG A 56 10.124 -5.944 -8.182 1.00 3.66 C ATOM 846 NE ARG A 56 9.142 -5.683 -9.252 1.00 5.36 N ATOM 847 CZ ARG A 56 9.404 -5.636 -10.566 1.00 7.07 C ATOM 848 NH1 ARG A 56 10.559 -6.123 -11.030 1.00 7.57 N ATOM 849 NH2 ARG A 56 8.523 -5.081 -11.401 1.00 8.61 N ATOM 0 H ARG A 56 6.900 -7.223 -4.809 1.00 0.79 H new ATOM 0 HA ARG A 56 8.401 -5.040 -4.393 1.00 0.95 H new ATOM 0 HB2 ARG A 56 8.828 -7.079 -5.858 1.00 1.43 H new ATOM 0 HB3 ARG A 56 7.784 -6.380 -7.080 1.00 1.43 H new ATOM 0 HG2 ARG A 56 9.384 -4.310 -6.978 1.00 2.25 H new ATOM 0 HG3 ARG A 56 10.488 -5.375 -6.130 1.00 2.25 H new ATOM 0 HD2 ARG A 56 11.087 -5.515 -8.458 1.00 3.66 H new ATOM 0 HD3 ARG A 56 10.273 -7.019 -8.077 1.00 3.66 H new ATOM 0 HE ARG A 56 8.176 -5.524 -8.966 1.00 5.36 H new ATOM 0 HH11 ARG A 56 11.237 -6.529 -10.385 1.00 7.57 H new ATOM 0 HH12 ARG A 56 10.762 -6.089 -12.029 1.00 7.57 H new ATOM 0 HH21 ARG A 56 7.652 -4.693 -11.039 1.00 8.61 H new ATOM 0 HH22 ARG A 56 8.721 -5.045 -12.401 1.00 8.61 H new ATOM 863 N ASP A 57 6.122 -4.259 -6.669 1.00 0.70 N ATOM 864 CA ASP A 57 5.497 -3.176 -7.401 1.00 0.64 C ATOM 865 C ASP A 57 4.543 -2.348 -6.548 1.00 0.52 C ATOM 866 O ASP A 57 4.499 -1.127 -6.678 1.00 0.58 O ATOM 867 CB ASP A 57 4.940 -3.713 -8.713 1.00 1.01 C ATOM 868 CG ASP A 57 6.112 -4.227 -9.530 1.00 1.80 C ATOM 869 OD1 ASP A 57 6.755 -3.424 -10.244 1.00 3.01 O ATOM 870 OD2 ASP A 57 6.507 -5.397 -9.344 1.00 2.22 O ATOM 0 H ASP A 57 5.748 -5.177 -6.910 1.00 0.70 H new ATOM 0 HA ASP A 57 6.246 -2.432 -7.673 1.00 0.64 H new ATOM 0 HB2 ASP A 57 4.223 -4.512 -8.526 1.00 1.01 H new ATOM 0 HB3 ASP A 57 4.410 -2.929 -9.254 1.00 1.01 H new ATOM 875 N ILE A 58 3.817 -2.974 -5.620 1.00 0.53 N ATOM 876 CA ILE A 58 3.116 -2.204 -4.591 1.00 0.53 C ATOM 877 C ILE A 58 4.105 -1.270 -3.883 1.00 0.49 C ATOM 878 O ILE A 58 3.847 -0.072 -3.737 1.00 0.49 O ATOM 879 CB ILE A 58 2.386 -3.143 -3.617 1.00 0.64 C ATOM 880 CG1 ILE A 58 1.177 -3.747 -4.347 1.00 0.63 C ATOM 881 CG2 ILE A 58 1.934 -2.406 -2.347 1.00 0.78 C ATOM 882 CD1 ILE A 58 0.547 -4.891 -3.559 1.00 0.68 C ATOM 0 H ILE A 58 3.700 -3.985 -5.559 1.00 0.53 H new ATOM 0 HA ILE A 58 2.350 -1.581 -5.054 1.00 0.53 H new ATOM 0 HB ILE A 58 3.070 -3.930 -3.299 1.00 0.64 H new ATOM 0 HG12 ILE A 58 0.431 -2.970 -4.518 1.00 0.63 H new ATOM 0 HG13 ILE A 58 1.489 -4.110 -5.326 1.00 0.63 H new ATOM 0 HG21 ILE A 58 1.422 -3.104 -1.684 1.00 0.78 H new ATOM 0 HG22 ILE A 58 2.804 -1.993 -1.837 1.00 0.78 H new ATOM 0 HG23 ILE A 58 1.254 -1.598 -2.618 1.00 0.78 H new ATOM 0 HD11 ILE A 58 -0.304 -5.288 -4.112 1.00 0.68 H new ATOM 0 HD12 ILE A 58 1.284 -5.680 -3.411 1.00 0.68 H new ATOM 0 HD13 ILE A 58 0.210 -4.523 -2.590 1.00 0.68 H new ATOM 894 N ILE A 59 5.249 -1.810 -3.457 1.00 0.56 N ATOM 895 CA ILE A 59 6.298 -1.013 -2.850 1.00 0.62 C ATOM 896 C ILE A 59 6.752 0.073 -3.836 1.00 0.64 C ATOM 897 O ILE A 59 6.792 1.240 -3.457 1.00 0.63 O ATOM 898 CB ILE A 59 7.415 -1.932 -2.334 1.00 0.74 C ATOM 899 CG1 ILE A 59 6.891 -2.790 -1.168 1.00 0.84 C ATOM 900 CG2 ILE A 59 8.628 -1.112 -1.894 1.00 0.83 C ATOM 901 CD1 ILE A 59 7.711 -4.072 -1.023 1.00 1.52 C ATOM 0 H ILE A 59 5.466 -2.804 -3.526 1.00 0.56 H new ATOM 0 HA ILE A 59 5.935 -0.479 -1.972 1.00 0.62 H new ATOM 0 HB ILE A 59 7.728 -2.591 -3.144 1.00 0.74 H new ATOM 0 HG12 ILE A 59 6.936 -2.218 -0.241 1.00 0.84 H new ATOM 0 HG13 ILE A 59 5.844 -3.040 -1.337 1.00 0.84 H new ATOM 0 HG21 ILE A 59 9.408 -1.782 -1.532 1.00 0.83 H new ATOM 0 HG22 ILE A 59 9.006 -0.539 -2.740 1.00 0.83 H new ATOM 0 HG23 ILE A 59 8.336 -0.430 -1.096 1.00 0.83 H new ATOM 0 HD11 ILE A 59 7.321 -4.661 -0.193 1.00 1.52 H new ATOM 0 HD12 ILE A 59 7.644 -4.653 -1.943 1.00 1.52 H new ATOM 0 HD13 ILE A 59 8.753 -3.817 -0.830 1.00 1.52 H new ATOM 913 N HIS A 60 7.007 -0.276 -5.106 1.00 0.74 N ATOM 914 CA HIS A 60 7.326 0.708 -6.137 1.00 0.88 C ATOM 915 C HIS A 60 6.301 1.842 -6.149 1.00 0.75 C ATOM 916 O HIS A 60 6.696 2.998 -6.276 1.00 0.79 O ATOM 917 CB HIS A 60 7.425 0.106 -7.551 1.00 1.16 C ATOM 918 CG HIS A 60 8.497 -0.930 -7.795 1.00 1.33 C ATOM 919 ND1 HIS A 60 8.498 -1.848 -8.828 1.00 2.47 N ATOM 920 CD2 HIS A 60 9.752 -0.938 -7.239 1.00 1.78 C ATOM 921 CE1 HIS A 60 9.730 -2.378 -8.892 1.00 3.04 C ATOM 922 NE2 HIS A 60 10.527 -1.867 -7.942 1.00 2.77 N ATOM 0 H HIS A 60 6.997 -1.240 -5.439 1.00 0.74 H new ATOM 0 HA HIS A 60 8.311 1.094 -5.874 1.00 0.88 H new ATOM 0 HB2 HIS A 60 6.462 -0.343 -7.793 1.00 1.16 H new ATOM 0 HB3 HIS A 60 7.581 0.924 -8.254 1.00 1.16 H new ATOM 0 HD1 HIS A 60 7.708 -2.080 -9.431 1.00 2.47 H new ATOM 0 HD2 HIS A 60 10.083 -0.334 -6.407 1.00 1.78 H new ATOM 0 HE1 HIS A 60 10.039 -3.119 -9.614 1.00 3.04 H new ATOM 930 N THR A 61 4.999 1.550 -6.024 1.00 0.67 N ATOM 931 CA THR A 61 4.002 2.620 -6.010 1.00 0.69 C ATOM 932 C THR A 61 4.282 3.551 -4.824 1.00 0.52 C ATOM 933 O THR A 61 4.441 4.760 -4.994 1.00 0.57 O ATOM 934 CB THR A 61 2.567 2.053 -6.007 1.00 0.84 C ATOM 935 OG1 THR A 61 2.339 1.347 -7.212 1.00 1.12 O ATOM 936 CG2 THR A 61 1.518 3.166 -5.907 1.00 1.21 C ATOM 0 H THR A 61 4.622 0.607 -5.934 1.00 0.67 H new ATOM 0 HA THR A 61 4.081 3.208 -6.925 1.00 0.69 H new ATOM 0 HB THR A 61 2.474 1.399 -5.140 1.00 0.84 H new ATOM 0 HG1 THR A 61 1.376 1.216 -7.337 1.00 1.12 H new ATOM 0 HG21 THR A 61 0.520 2.727 -5.908 1.00 1.21 H new ATOM 0 HG22 THR A 61 1.668 3.725 -4.983 1.00 1.21 H new ATOM 0 HG23 THR A 61 1.619 3.839 -6.759 1.00 1.21 H new ATOM 944 N ILE A 62 4.359 2.978 -3.624 1.00 0.41 N ATOM 945 CA ILE A 62 4.613 3.700 -2.380 1.00 0.45 C ATOM 946 C ILE A 62 5.866 4.590 -2.482 1.00 0.46 C ATOM 947 O ILE A 62 5.801 5.794 -2.201 1.00 0.54 O ATOM 948 CB ILE A 62 4.626 2.658 -1.241 1.00 0.51 C ATOM 949 CG1 ILE A 62 3.163 2.419 -0.832 1.00 0.54 C ATOM 950 CG2 ILE A 62 5.465 3.054 -0.024 1.00 0.83 C ATOM 951 CD1 ILE A 62 2.963 1.180 0.039 1.00 1.52 C ATOM 0 H ILE A 62 4.243 1.974 -3.487 1.00 0.41 H new ATOM 0 HA ILE A 62 3.824 4.420 -2.161 1.00 0.45 H new ATOM 0 HB ILE A 62 5.104 1.754 -1.617 1.00 0.51 H new ATOM 0 HG12 ILE A 62 2.798 3.294 -0.293 1.00 0.54 H new ATOM 0 HG13 ILE A 62 2.555 2.322 -1.731 1.00 0.54 H new ATOM 0 HG21 ILE A 62 5.416 2.263 0.725 1.00 0.83 H new ATOM 0 HG22 ILE A 62 6.501 3.201 -0.329 1.00 0.83 H new ATOM 0 HG23 ILE A 62 5.077 3.980 0.400 1.00 0.83 H new ATOM 0 HD11 ILE A 62 1.907 1.077 0.288 1.00 1.52 H new ATOM 0 HD12 ILE A 62 3.296 0.296 -0.504 1.00 1.52 H new ATOM 0 HD13 ILE A 62 3.543 1.282 0.956 1.00 1.52 H new ATOM 963 N GLU A 63 6.986 4.007 -2.916 1.00 0.49 N ATOM 964 CA GLU A 63 8.248 4.704 -3.116 1.00 0.66 C ATOM 965 C GLU A 63 8.084 5.822 -4.148 1.00 0.64 C ATOM 966 O GLU A 63 8.370 6.983 -3.864 1.00 0.70 O ATOM 967 CB GLU A 63 9.312 3.700 -3.574 1.00 0.89 C ATOM 968 CG GLU A 63 9.653 2.681 -2.477 1.00 0.87 C ATOM 969 CD GLU A 63 10.626 1.618 -2.973 1.00 0.99 C ATOM 970 OE1 GLU A 63 10.522 1.257 -4.166 1.00 2.24 O ATOM 971 OE2 GLU A 63 11.450 1.176 -2.143 1.00 1.60 O ATOM 0 H GLU A 63 7.036 3.014 -3.142 1.00 0.49 H new ATOM 0 HA GLU A 63 8.563 5.157 -2.176 1.00 0.66 H new ATOM 0 HB2 GLU A 63 8.956 3.174 -4.460 1.00 0.89 H new ATOM 0 HB3 GLU A 63 10.216 4.236 -3.864 1.00 0.89 H new ATOM 0 HG2 GLU A 63 10.086 3.199 -1.622 1.00 0.87 H new ATOM 0 HG3 GLU A 63 8.738 2.202 -2.129 1.00 0.87 H new ATOM 978 N SER A 64 7.629 5.455 -5.350 1.00 0.61 N ATOM 979 CA SER A 64 7.478 6.353 -6.488 1.00 0.70 C ATOM 980 C SER A 64 6.652 7.578 -6.101 1.00 0.61 C ATOM 981 O SER A 64 6.996 8.700 -6.465 1.00 0.68 O ATOM 982 CB SER A 64 6.849 5.589 -7.662 1.00 0.80 C ATOM 983 OG SER A 64 6.753 6.402 -8.815 1.00 1.46 O ATOM 0 H SER A 64 7.349 4.497 -5.559 1.00 0.61 H new ATOM 0 HA SER A 64 8.458 6.714 -6.800 1.00 0.70 H new ATOM 0 HB2 SER A 64 7.448 4.706 -7.886 1.00 0.80 H new ATOM 0 HB3 SER A 64 5.857 5.237 -7.379 1.00 0.80 H new ATOM 0 HG SER A 64 6.350 5.888 -9.545 1.00 1.46 H new ATOM 989 N LEU A 65 5.564 7.370 -5.354 1.00 0.60 N ATOM 990 CA LEU A 65 4.769 8.474 -4.851 1.00 0.63 C ATOM 991 C LEU A 65 5.598 9.347 -3.906 1.00 0.72 C ATOM 992 O LEU A 65 5.851 10.509 -4.222 1.00 1.03 O ATOM 993 CB LEU A 65 3.508 7.956 -4.152 1.00 0.72 C ATOM 994 CG LEU A 65 2.505 7.302 -5.109 1.00 0.88 C ATOM 995 CD1 LEU A 65 1.501 6.515 -4.265 1.00 2.32 C ATOM 996 CD2 LEU A 65 1.753 8.331 -5.961 1.00 1.40 C ATOM 0 H LEU A 65 5.221 6.447 -5.089 1.00 0.60 H new ATOM 0 HA LEU A 65 4.459 9.089 -5.696 1.00 0.63 H new ATOM 0 HB2 LEU A 65 3.796 7.232 -3.389 1.00 0.72 H new ATOM 0 HB3 LEU A 65 3.021 8.784 -3.638 1.00 0.72 H new ATOM 0 HG LEU A 65 3.051 6.656 -5.796 1.00 0.88 H new ATOM 0 HD11 LEU A 65 0.772 6.037 -4.919 1.00 2.32 H new ATOM 0 HD12 LEU A 65 2.027 5.753 -3.690 1.00 2.32 H new ATOM 0 HD13 LEU A 65 0.987 7.194 -3.584 1.00 2.32 H new ATOM 0 HD21 LEU A 65 1.055 7.816 -6.622 1.00 1.40 H new ATOM 0 HD22 LEU A 65 1.203 9.010 -5.310 1.00 1.40 H new ATOM 0 HD23 LEU A 65 2.466 8.899 -6.558 1.00 1.40 H new ATOM 1008 N GLY A 66 5.917 8.845 -2.709 1.00 0.77 N ATOM 1009 CA GLY A 66 6.691 9.641 -1.760 1.00 0.82 C ATOM 1010 C GLY A 66 7.387 8.901 -0.615 1.00 0.84 C ATOM 1011 O GLY A 66 8.074 9.555 0.168 1.00 1.17 O ATOM 0 H GLY A 66 5.658 7.914 -2.382 1.00 0.77 H new ATOM 0 HA2 GLY A 66 7.452 10.185 -2.320 1.00 0.82 H new ATOM 0 HA3 GLY A 66 6.024 10.385 -1.323 1.00 0.82 H new ATOM 1015 N PHE A 67 7.109 7.613 -0.389 1.00 0.74 N ATOM 1016 CA PHE A 67 6.918 7.132 0.976 1.00 0.58 C ATOM 1017 C PHE A 67 7.699 5.839 1.231 1.00 0.74 C ATOM 1018 O PHE A 67 8.005 5.105 0.297 1.00 1.22 O ATOM 1019 CB PHE A 67 5.410 6.940 1.173 1.00 0.50 C ATOM 1020 CG PHE A 67 4.568 8.149 0.789 1.00 0.49 C ATOM 1021 CD1 PHE A 67 4.776 9.394 1.412 1.00 1.74 C ATOM 1022 CD2 PHE A 67 3.667 8.062 -0.291 1.00 1.43 C ATOM 1023 CE1 PHE A 67 4.000 10.507 1.048 1.00 1.82 C ATOM 1024 CE2 PHE A 67 2.889 9.174 -0.655 1.00 1.41 C ATOM 1025 CZ PHE A 67 3.049 10.395 0.020 1.00 0.69 C ATOM 0 H PHE A 67 7.014 6.903 -1.115 1.00 0.74 H new ATOM 0 HA PHE A 67 7.304 7.853 1.697 1.00 0.58 H new ATOM 0 HB2 PHE A 67 5.085 6.083 0.583 1.00 0.50 H new ATOM 0 HB3 PHE A 67 5.220 6.697 2.219 1.00 0.50 H new ATOM 0 HD1 PHE A 67 5.536 9.494 2.173 1.00 1.74 H new ATOM 0 HD2 PHE A 67 3.574 7.137 -0.841 1.00 1.43 H new ATOM 0 HE1 PHE A 67 4.135 11.449 1.559 1.00 1.82 H new ATOM 0 HE2 PHE A 67 2.168 9.090 -1.454 1.00 1.41 H new ATOM 0 HZ PHE A 67 2.442 11.246 -0.251 1.00 0.69 H new ATOM 1035 N GLU A 68 8.014 5.557 2.498 1.00 0.57 N ATOM 1036 CA GLU A 68 8.737 4.364 2.915 1.00 0.66 C ATOM 1037 C GLU A 68 7.749 3.189 2.973 1.00 0.71 C ATOM 1038 O GLU A 68 6.543 3.394 3.129 1.00 1.00 O ATOM 1039 CB GLU A 68 9.366 4.577 4.309 1.00 0.94 C ATOM 1040 CG GLU A 68 9.989 5.960 4.613 1.00 1.74 C ATOM 1041 CD GLU A 68 10.084 6.200 6.124 1.00 2.32 C ATOM 1042 OE1 GLU A 68 10.824 5.429 6.768 1.00 2.41 O ATOM 1043 OE2 GLU A 68 9.373 7.101 6.636 1.00 3.63 O ATOM 0 H GLU A 68 7.766 6.169 3.276 1.00 0.57 H new ATOM 0 HA GLU A 68 9.535 4.154 2.202 1.00 0.66 H new ATOM 0 HB2 GLU A 68 8.597 4.384 5.057 1.00 0.94 H new ATOM 0 HB3 GLU A 68 10.141 3.823 4.446 1.00 0.94 H new ATOM 0 HG2 GLU A 68 10.982 6.021 4.168 1.00 1.74 H new ATOM 0 HG3 GLU A 68 9.386 6.743 4.154 1.00 1.74 H new ATOM 1050 N ALA A 69 8.257 1.955 2.911 1.00 0.73 N ATOM 1051 CA ALA A 69 7.487 0.732 3.108 1.00 0.86 C ATOM 1052 C ALA A 69 8.205 -0.164 4.117 1.00 0.73 C ATOM 1053 O ALA A 69 9.432 -0.247 4.094 1.00 0.93 O ATOM 1054 CB ALA A 69 7.350 -0.011 1.777 1.00 1.42 C ATOM 0 H ALA A 69 9.243 1.778 2.717 1.00 0.73 H new ATOM 0 HA ALA A 69 6.496 0.986 3.484 1.00 0.86 H new ATOM 0 HB1 ALA A 69 6.774 -0.924 1.928 1.00 1.42 H new ATOM 0 HB2 ALA A 69 6.838 0.626 1.056 1.00 1.42 H new ATOM 0 HB3 ALA A 69 8.340 -0.265 1.398 1.00 1.42 H new ATOM 1060 N SER A 70 7.466 -0.851 4.993 1.00 0.66 N ATOM 1061 CA SER A 70 8.009 -1.886 5.872 1.00 0.80 C ATOM 1062 C SER A 70 6.909 -2.888 6.231 1.00 0.77 C ATOM 1063 O SER A 70 5.987 -2.537 6.957 1.00 0.89 O ATOM 1064 CB SER A 70 8.577 -1.241 7.143 1.00 0.93 C ATOM 1065 OG SER A 70 9.745 -0.496 6.851 1.00 1.69 O ATOM 0 H SER A 70 6.464 -0.701 5.112 1.00 0.66 H new ATOM 0 HA SER A 70 8.812 -2.414 5.357 1.00 0.80 H new ATOM 0 HB2 SER A 70 7.827 -0.589 7.591 1.00 0.93 H new ATOM 0 HB3 SER A 70 8.807 -2.014 7.876 1.00 0.93 H new ATOM 0 HG SER A 70 9.847 -0.415 5.880 1.00 1.69 H new ATOM 1071 N LEU A 71 6.974 -4.123 5.725 1.00 0.79 N ATOM 1072 CA LEU A 71 6.014 -5.173 6.066 1.00 0.80 C ATOM 1073 C LEU A 71 6.028 -5.418 7.579 1.00 0.90 C ATOM 1074 O LEU A 71 7.101 -5.581 8.154 1.00 1.41 O ATOM 1075 CB LEU A 71 6.343 -6.466 5.304 1.00 0.99 C ATOM 1076 CG LEU A 71 5.832 -6.483 3.851 1.00 1.94 C ATOM 1077 CD1 LEU A 71 6.466 -5.401 2.968 1.00 3.25 C ATOM 1078 CD2 LEU A 71 6.123 -7.856 3.234 1.00 2.51 C ATOM 0 H LEU A 71 7.694 -4.421 5.067 1.00 0.79 H new ATOM 0 HA LEU A 71 5.015 -4.851 5.773 1.00 0.80 H new ATOM 0 HB2 LEU A 71 7.424 -6.609 5.300 1.00 0.99 H new ATOM 0 HB3 LEU A 71 5.912 -7.311 5.840 1.00 0.99 H new ATOM 0 HG LEU A 71 4.762 -6.278 3.891 1.00 1.94 H new ATOM 0 HD11 LEU A 71 6.060 -5.471 1.959 1.00 3.25 H new ATOM 0 HD12 LEU A 71 6.243 -4.417 3.381 1.00 3.25 H new ATOM 0 HD13 LEU A 71 7.546 -5.544 2.936 1.00 3.25 H new ATOM 0 HD21 LEU A 71 5.764 -7.876 2.205 1.00 2.51 H new ATOM 0 HD22 LEU A 71 7.197 -8.041 3.247 1.00 2.51 H new ATOM 0 HD23 LEU A 71 5.615 -8.629 3.811 1.00 2.51 H new ATOM 1090 N VAL A 72 4.843 -5.445 8.204 1.00 1.22 N ATOM 1091 CA VAL A 72 4.677 -5.722 9.627 1.00 1.40 C ATOM 1092 C VAL A 72 4.008 -7.093 9.774 1.00 1.36 C ATOM 1093 O VAL A 72 4.698 -8.108 9.737 1.00 2.20 O ATOM 1094 CB VAL A 72 3.926 -4.563 10.318 1.00 1.82 C ATOM 1095 CG1 VAL A 72 3.807 -4.806 11.828 1.00 2.49 C ATOM 1096 CG2 VAL A 72 4.678 -3.244 10.115 1.00 2.31 C ATOM 0 H VAL A 72 3.961 -5.271 7.722 1.00 1.22 H new ATOM 0 HA VAL A 72 5.637 -5.776 10.140 1.00 1.40 H new ATOM 0 HB VAL A 72 2.933 -4.510 9.872 1.00 1.82 H new ATOM 0 HG11 VAL A 72 3.274 -3.975 12.289 1.00 2.49 H new ATOM 0 HG12 VAL A 72 3.259 -5.731 12.006 1.00 2.49 H new ATOM 0 HG13 VAL A 72 4.803 -4.885 12.263 1.00 2.49 H new ATOM 0 HG21 VAL A 72 4.136 -2.437 10.608 1.00 2.31 H new ATOM 0 HG22 VAL A 72 5.677 -3.325 10.543 1.00 2.31 H new ATOM 0 HG23 VAL A 72 4.757 -3.030 9.049 1.00 2.31 H new ATOM 1106 N LYS A 73 2.675 -7.143 9.902 1.00 2.18 N ATOM 1107 CA LYS A 73 1.879 -8.347 10.150 1.00 2.40 C ATOM 1108 C LYS A 73 2.089 -8.890 11.568 1.00 2.88 C ATOM 1109 O LYS A 73 1.119 -9.073 12.297 1.00 4.21 O ATOM 1110 CB LYS A 73 2.086 -9.427 9.077 1.00 2.26 C ATOM 1111 CG LYS A 73 1.802 -8.875 7.677 1.00 2.66 C ATOM 1112 CD LYS A 73 2.052 -9.972 6.636 1.00 2.83 C ATOM 1113 CE LYS A 73 1.707 -9.500 5.220 1.00 4.16 C ATOM 1114 NZ LYS A 73 2.551 -8.373 4.772 1.00 5.37 N ATOM 0 H LYS A 73 2.098 -6.305 9.832 1.00 2.18 H new ATOM 0 HA LYS A 73 0.834 -8.046 10.076 1.00 2.40 H new ATOM 0 HB2 LYS A 73 3.109 -9.799 9.124 1.00 2.26 H new ATOM 0 HB3 LYS A 73 1.430 -10.274 9.277 1.00 2.26 H new ATOM 0 HG2 LYS A 73 0.771 -8.527 7.614 1.00 2.66 H new ATOM 0 HG3 LYS A 73 2.442 -8.016 7.476 1.00 2.66 H new ATOM 0 HD2 LYS A 73 3.098 -10.277 6.673 1.00 2.83 H new ATOM 0 HD3 LYS A 73 1.455 -10.850 6.882 1.00 2.83 H new ATOM 0 HE2 LYS A 73 1.822 -10.333 4.526 1.00 4.16 H new ATOM 0 HE3 LYS A 73 0.660 -9.200 5.187 1.00 4.16 H new ATOM 0 HZ1 LYS A 73 2.346 -8.160 3.775 1.00 5.37 H new ATOM 0 HZ2 LYS A 73 2.348 -7.535 5.353 1.00 5.37 H new ATOM 0 HZ3 LYS A 73 3.554 -8.629 4.872 1.00 5.37 H new ATOM 1128 N ILE A 74 3.342 -9.132 11.958 1.00 2.63 N ATOM 1129 CA ILE A 74 3.735 -9.413 13.333 1.00 3.46 C ATOM 1130 C ILE A 74 4.772 -8.379 13.769 1.00 4.30 C ATOM 1131 O ILE A 74 5.328 -7.673 12.926 1.00 4.95 O ATOM 1132 CB ILE A 74 4.225 -10.867 13.502 1.00 4.09 C ATOM 1133 CG1 ILE A 74 5.645 -11.166 12.980 1.00 4.44 C ATOM 1134 CG2 ILE A 74 3.200 -11.864 12.944 1.00 5.48 C ATOM 1135 CD1 ILE A 74 5.887 -10.879 11.495 1.00 5.41 C ATOM 0 H ILE A 74 4.128 -9.137 11.308 1.00 2.63 H new ATOM 0 HA ILE A 74 2.868 -9.327 13.988 1.00 3.46 H new ATOM 0 HB ILE A 74 4.311 -10.998 14.581 1.00 4.09 H new ATOM 0 HG12 ILE A 74 6.356 -10.581 13.564 1.00 4.44 H new ATOM 0 HG13 ILE A 74 5.866 -12.217 13.168 1.00 4.44 H new ATOM 0 HG21 ILE A 74 3.571 -12.880 13.076 1.00 5.48 H new ATOM 0 HG22 ILE A 74 2.255 -11.751 13.476 1.00 5.48 H new ATOM 0 HG23 ILE A 74 3.044 -11.670 11.883 1.00 5.48 H new ATOM 0 HD11 ILE A 74 6.918 -11.126 11.240 1.00 5.41 H new ATOM 0 HD12 ILE A 74 5.209 -11.484 10.892 1.00 5.41 H new ATOM 0 HD13 ILE A 74 5.707 -9.823 11.294 1.00 5.41 H new ATOM 1147 N GLU A 75 5.016 -8.304 15.077 1.00 5.44 N ATOM 1148 CA GLU A 75 6.015 -7.489 15.736 1.00 7.22 C ATOM 1149 C GLU A 75 6.502 -8.350 16.903 1.00 8.07 C ATOM 1150 O GLU A 75 5.767 -9.317 17.218 1.00 7.97 O ATOM 1151 CB GLU A 75 5.392 -6.178 16.242 1.00 8.38 C ATOM 1152 CG GLU A 75 4.863 -5.301 15.096 1.00 8.72 C ATOM 1153 CD GLU A 75 4.356 -3.943 15.564 1.00 10.21 C ATOM 1154 OE1 GLU A 75 3.856 -3.873 16.708 1.00 10.77 O ATOM 1155 OE2 GLU A 75 4.463 -2.993 14.757 1.00 11.07 O ATOM 1156 OXT GLU A 75 7.586 -8.043 17.444 1.00 9.24 O ATOM 0 H GLU A 75 4.477 -8.855 15.745 1.00 5.44 H new ATOM 0 HA GLU A 75 6.828 -7.203 15.069 1.00 7.22 H new ATOM 0 HB2 GLU A 75 4.576 -6.407 16.927 1.00 8.38 H new ATOM 0 HB3 GLU A 75 6.137 -5.620 16.809 1.00 8.38 H new ATOM 0 HG2 GLU A 75 5.657 -5.153 14.364 1.00 8.72 H new ATOM 0 HG3 GLU A 75 4.055 -5.827 14.587 1.00 8.72 H new TER 1163 GLU A 75 HETATM 1164 CU CU1 A 76 0.635 14.759 3.239 1.00 0.75 CU