USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 534 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= -0.223 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -141:sc= 1.07 (180deg=1) USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.608 K(o=1.9,f=-3.3!) USER MOD Set 2.2: A 61 THR OG1 : rot -174:sc= 1.28 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= -0.541 USER MOD Set 3.2: A 18 CYS SG : rot 90:sc= -0.467 USER MOD Single : A 13 MET CE :methyl 164:sc= -0.0669 (180deg=-0.454) USER MOD Single : A 14 THR OG1 : rot -27:sc= 0.436 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 79:sc= 1.21 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -1.08 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0485 USER MOD Single : A 42 ASN : amide:sc= 0.0971 X(o=0.097,f=-0.0076) USER MOD Single : A 45 HIS : no HE2:sc= -1.92 K(o=-1.9,f=-4.4!) USER MOD Single : A 47 LYS NZ :NH3+ 140:sc= -0.192 (180deg=-1.46) USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 4:sc= 0.287 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -2.916 -12.281 -1.613 1.00 1.42 N ATOM 40 CA GLY A 4 -1.841 -11.390 -1.218 1.00 1.84 C ATOM 41 C GLY A 4 -2.411 -10.346 -0.264 1.00 1.47 C ATOM 42 O GLY A 4 -2.469 -9.165 -0.598 1.00 2.01 O ATOM 0 HA2 GLY A 4 -1.042 -11.951 -0.734 1.00 1.84 H new ATOM 0 HA3 GLY A 4 -1.407 -10.907 -2.094 1.00 1.84 H new ATOM 46 N VAL A 5 -2.843 -10.781 0.921 1.00 0.91 N ATOM 47 CA VAL A 5 -3.233 -9.892 2.007 1.00 0.80 C ATOM 48 C VAL A 5 -1.957 -9.382 2.680 1.00 0.89 C ATOM 49 O VAL A 5 -1.101 -10.178 3.065 1.00 1.20 O ATOM 50 CB VAL A 5 -4.136 -10.642 3.003 1.00 1.06 C ATOM 51 CG1 VAL A 5 -4.465 -9.764 4.218 1.00 1.73 C ATOM 52 CG2 VAL A 5 -5.449 -11.056 2.329 1.00 2.73 C ATOM 0 H VAL A 5 -2.931 -11.771 1.152 1.00 0.91 H new ATOM 0 HA VAL A 5 -3.804 -9.044 1.628 1.00 0.80 H new ATOM 0 HB VAL A 5 -3.593 -11.527 3.334 1.00 1.06 H new ATOM 0 HG11 VAL A 5 -5.104 -10.318 4.905 1.00 1.73 H new ATOM 0 HG12 VAL A 5 -3.542 -9.485 4.726 1.00 1.73 H new ATOM 0 HG13 VAL A 5 -4.983 -8.864 3.887 1.00 1.73 H new ATOM 0 HG21 VAL A 5 -6.076 -11.585 3.047 1.00 2.73 H new ATOM 0 HG22 VAL A 5 -5.973 -10.168 1.976 1.00 2.73 H new ATOM 0 HG23 VAL A 5 -5.234 -11.710 1.484 1.00 2.73 H new ATOM 62 N LEU A 6 -1.808 -8.060 2.795 1.00 1.05 N ATOM 63 CA LEU A 6 -0.620 -7.450 3.366 1.00 1.24 C ATOM 64 C LEU A 6 -0.921 -6.058 3.924 1.00 0.98 C ATOM 65 O LEU A 6 -0.904 -5.069 3.190 1.00 0.98 O ATOM 66 CB LEU A 6 0.488 -7.412 2.301 1.00 1.47 C ATOM 67 CG LEU A 6 1.812 -6.789 2.777 1.00 1.85 C ATOM 68 CD1 LEU A 6 2.358 -7.460 4.042 1.00 3.00 C ATOM 69 CD2 LEU A 6 2.847 -6.907 1.652 1.00 2.08 C ATOM 0 H LEU A 6 -2.513 -7.387 2.492 1.00 1.05 H new ATOM 0 HA LEU A 6 -0.277 -8.051 4.208 1.00 1.24 H new ATOM 0 HB2 LEU A 6 0.682 -8.429 1.961 1.00 1.47 H new ATOM 0 HB3 LEU A 6 0.127 -6.851 1.439 1.00 1.47 H new ATOM 0 HG LEU A 6 1.618 -5.745 3.024 1.00 1.85 H new ATOM 0 HD11 LEU A 6 3.293 -6.981 4.333 1.00 3.00 H new ATOM 0 HD12 LEU A 6 1.632 -7.360 4.849 1.00 3.00 H new ATOM 0 HD13 LEU A 6 2.538 -8.517 3.845 1.00 3.00 H new ATOM 0 HD21 LEU A 6 3.790 -6.468 1.978 1.00 2.08 H new ATOM 0 HD22 LEU A 6 3.001 -7.958 1.408 1.00 2.08 H new ATOM 0 HD23 LEU A 6 2.487 -6.378 0.769 1.00 2.08 H new ATOM 81 N GLU A 7 -1.086 -5.966 5.244 1.00 1.23 N ATOM 82 CA GLU A 7 -0.827 -4.742 5.982 1.00 0.99 C ATOM 83 C GLU A 7 0.677 -4.578 6.173 1.00 0.85 C ATOM 84 O GLU A 7 1.275 -5.005 7.165 1.00 1.44 O ATOM 85 CB GLU A 7 -1.639 -4.647 7.276 1.00 1.41 C ATOM 86 CG GLU A 7 -1.751 -5.961 8.038 1.00 1.83 C ATOM 87 CD GLU A 7 -2.911 -6.824 7.596 1.00 2.62 C ATOM 88 OE1 GLU A 7 -2.706 -7.577 6.621 1.00 3.89 O ATOM 89 OE2 GLU A 7 -3.982 -6.668 8.224 1.00 3.31 O ATOM 0 H GLU A 7 -1.403 -6.741 5.826 1.00 1.23 H new ATOM 0 HA GLU A 7 -1.178 -3.891 5.397 1.00 0.99 H new ATOM 0 HB2 GLU A 7 -1.181 -3.901 7.925 1.00 1.41 H new ATOM 0 HB3 GLU A 7 -2.641 -4.291 7.038 1.00 1.41 H new ATOM 0 HG2 GLU A 7 -0.825 -6.522 7.915 1.00 1.83 H new ATOM 0 HG3 GLU A 7 -1.854 -5.746 9.102 1.00 1.83 H new ATOM 96 N LEU A 8 1.278 -3.914 5.188 1.00 0.69 N ATOM 97 CA LEU A 8 2.591 -3.325 5.336 1.00 0.76 C ATOM 98 C LEU A 8 2.441 -1.971 6.042 1.00 0.69 C ATOM 99 O LEU A 8 1.379 -1.344 5.987 1.00 0.71 O ATOM 100 CB LEU A 8 3.324 -3.294 3.980 1.00 1.04 C ATOM 101 CG LEU A 8 2.567 -2.784 2.742 1.00 0.92 C ATOM 102 CD1 LEU A 8 2.240 -1.299 2.844 1.00 1.66 C ATOM 103 CD2 LEU A 8 3.453 -2.990 1.508 1.00 2.06 C ATOM 0 H LEU A 8 0.862 -3.774 4.268 1.00 0.69 H new ATOM 0 HA LEU A 8 3.237 -3.929 5.972 1.00 0.76 H new ATOM 0 HB2 LEU A 8 4.215 -2.677 4.100 1.00 1.04 H new ATOM 0 HB3 LEU A 8 3.664 -4.307 3.765 1.00 1.04 H new ATOM 0 HG LEU A 8 1.632 -3.340 2.669 1.00 0.92 H new ATOM 0 HD11 LEU A 8 1.706 -0.982 1.949 1.00 1.66 H new ATOM 0 HD12 LEU A 8 1.616 -1.123 3.720 1.00 1.66 H new ATOM 0 HD13 LEU A 8 3.164 -0.728 2.936 1.00 1.66 H new ATOM 0 HD21 LEU A 8 2.930 -2.633 0.621 1.00 2.06 H new ATOM 0 HD22 LEU A 8 4.382 -2.433 1.630 1.00 2.06 H new ATOM 0 HD23 LEU A 8 3.678 -4.050 1.394 1.00 2.06 H new ATOM 115 N VAL A 9 3.497 -1.532 6.732 1.00 0.70 N ATOM 116 CA VAL A 9 3.601 -0.178 7.245 1.00 0.70 C ATOM 117 C VAL A 9 4.004 0.682 6.048 1.00 0.72 C ATOM 118 O VAL A 9 4.793 0.229 5.218 1.00 0.95 O ATOM 119 CB VAL A 9 4.600 -0.114 8.425 1.00 0.75 C ATOM 120 CG1 VAL A 9 5.487 1.139 8.421 1.00 0.85 C ATOM 121 CG2 VAL A 9 3.851 -0.142 9.766 1.00 0.76 C ATOM 0 H VAL A 9 4.305 -2.116 6.948 1.00 0.70 H new ATOM 0 HA VAL A 9 2.664 0.189 7.664 1.00 0.70 H new ATOM 0 HB VAL A 9 5.241 -0.987 8.301 1.00 0.75 H new ATOM 0 HG11 VAL A 9 6.160 1.111 9.278 1.00 0.85 H new ATOM 0 HG12 VAL A 9 6.072 1.168 7.502 1.00 0.85 H new ATOM 0 HG13 VAL A 9 4.860 2.029 8.481 1.00 0.85 H new ATOM 0 HG21 VAL A 9 4.569 -0.096 10.585 1.00 0.76 H new ATOM 0 HG22 VAL A 9 3.178 0.714 9.825 1.00 0.76 H new ATOM 0 HG23 VAL A 9 3.273 -1.063 9.841 1.00 0.76 H new ATOM 131 N VAL A 10 3.457 1.895 5.950 1.00 0.61 N ATOM 132 CA VAL A 10 3.769 2.919 4.982 1.00 0.60 C ATOM 133 C VAL A 10 4.064 4.168 5.811 1.00 0.61 C ATOM 134 O VAL A 10 3.246 4.512 6.660 1.00 0.87 O ATOM 135 CB VAL A 10 2.548 3.135 4.077 1.00 0.59 C ATOM 136 CG1 VAL A 10 2.832 4.271 3.101 1.00 1.77 C ATOM 137 CG2 VAL A 10 2.196 1.875 3.291 1.00 1.89 C ATOM 0 H VAL A 10 2.731 2.198 6.599 1.00 0.61 H new ATOM 0 HA VAL A 10 4.612 2.663 4.340 1.00 0.60 H new ATOM 0 HB VAL A 10 1.700 3.384 4.715 1.00 0.59 H new ATOM 0 HG11 VAL A 10 1.965 4.424 2.459 1.00 1.77 H new ATOM 0 HG12 VAL A 10 3.038 5.186 3.657 1.00 1.77 H new ATOM 0 HG13 VAL A 10 3.697 4.017 2.488 1.00 1.77 H new ATOM 0 HG21 VAL A 10 1.327 2.069 2.663 1.00 1.89 H new ATOM 0 HG22 VAL A 10 3.041 1.590 2.664 1.00 1.89 H new ATOM 0 HG23 VAL A 10 1.969 1.065 3.984 1.00 1.89 H new ATOM 147 N ARG A 11 5.202 4.834 5.603 1.00 0.64 N ATOM 148 CA ARG A 11 5.550 6.039 6.355 1.00 0.68 C ATOM 149 C ARG A 11 5.735 7.223 5.411 1.00 0.64 C ATOM 150 O ARG A 11 5.918 7.051 4.206 1.00 1.03 O ATOM 151 CB ARG A 11 6.795 5.835 7.228 1.00 0.79 C ATOM 152 CG ARG A 11 6.662 4.656 8.200 1.00 1.36 C ATOM 153 CD ARG A 11 7.900 4.518 9.099 1.00 1.80 C ATOM 154 NE ARG A 11 8.101 5.715 9.940 1.00 2.80 N ATOM 155 CZ ARG A 11 8.939 6.738 9.683 1.00 3.90 C ATOM 156 NH1 ARG A 11 9.851 6.651 8.719 1.00 4.15 N ATOM 157 NH2 ARG A 11 8.849 7.869 10.388 1.00 5.43 N ATOM 0 H ARG A 11 5.902 4.556 4.915 1.00 0.64 H new ATOM 0 HA ARG A 11 4.720 6.255 7.028 1.00 0.68 H new ATOM 0 HB2 ARG A 11 7.660 5.672 6.585 1.00 0.79 H new ATOM 0 HB3 ARG A 11 6.987 6.746 7.795 1.00 0.79 H new ATOM 0 HG2 ARG A 11 5.776 4.793 8.820 1.00 1.36 H new ATOM 0 HG3 ARG A 11 6.517 3.734 7.636 1.00 1.36 H new ATOM 0 HD2 ARG A 11 7.791 3.640 9.736 1.00 1.80 H new ATOM 0 HD3 ARG A 11 8.783 4.356 8.480 1.00 1.80 H new ATOM 0 HE ARG A 11 7.553 5.773 10.798 1.00 2.80 H new ATOM 0 HH11 ARG A 11 9.924 5.800 8.161 1.00 4.15 H new ATOM 0 HH12 ARG A 11 10.478 7.435 8.538 1.00 4.15 H new ATOM 0 HH21 ARG A 11 8.146 7.958 11.121 1.00 5.43 H new ATOM 0 HH22 ARG A 11 9.484 8.643 10.193 1.00 5.43 H new ATOM 171 N GLY A 12 5.658 8.430 5.980 1.00 0.65 N ATOM 172 CA GLY A 12 5.664 9.686 5.246 1.00 0.73 C ATOM 173 C GLY A 12 4.245 10.154 4.914 1.00 0.73 C ATOM 174 O GLY A 12 4.083 11.147 4.209 1.00 1.16 O ATOM 0 H GLY A 12 5.588 8.557 6.990 1.00 0.65 H new ATOM 0 HA2 GLY A 12 6.171 10.450 5.836 1.00 0.73 H new ATOM 0 HA3 GLY A 12 6.233 9.566 4.324 1.00 0.73 H new ATOM 178 N MET A 13 3.215 9.464 5.422 1.00 0.92 N ATOM 179 CA MET A 13 1.815 9.757 5.158 1.00 0.99 C ATOM 180 C MET A 13 1.379 11.008 5.929 1.00 0.81 C ATOM 181 O MET A 13 0.538 10.932 6.822 1.00 1.19 O ATOM 182 CB MET A 13 0.976 8.547 5.587 1.00 1.47 C ATOM 183 CG MET A 13 1.417 7.229 4.944 1.00 1.18 C ATOM 184 SD MET A 13 0.532 5.770 5.544 1.00 1.91 S ATOM 185 CE MET A 13 -1.144 6.205 5.068 1.00 1.61 C ATOM 0 H MET A 13 3.345 8.666 6.044 1.00 0.92 H new ATOM 0 HA MET A 13 1.671 9.949 4.095 1.00 0.99 H new ATOM 0 HB2 MET A 13 1.028 8.447 6.671 1.00 1.47 H new ATOM 0 HB3 MET A 13 -0.068 8.732 5.334 1.00 1.47 H new ATOM 0 HG2 MET A 13 1.282 7.302 3.865 1.00 1.18 H new ATOM 0 HG3 MET A 13 2.483 7.091 5.123 1.00 1.18 H new ATOM 0 HE1 MET A 13 -1.774 5.316 5.100 1.00 1.61 H new ATOM 0 HE2 MET A 13 -1.536 6.952 5.758 1.00 1.61 H new ATOM 0 HE3 MET A 13 -1.141 6.612 4.057 1.00 1.61 H new ATOM 195 N THR A 14 1.979 12.159 5.630 1.00 0.62 N ATOM 196 CA THR A 14 1.912 13.296 6.534 1.00 0.67 C ATOM 197 C THR A 14 0.523 13.940 6.635 1.00 0.70 C ATOM 198 O THR A 14 0.320 14.717 7.568 1.00 1.04 O ATOM 199 CB THR A 14 3.016 14.320 6.224 1.00 0.79 C ATOM 200 OG1 THR A 14 3.054 15.303 7.240 1.00 1.46 O ATOM 201 CG2 THR A 14 2.846 15.005 4.866 1.00 0.94 C ATOM 0 H THR A 14 2.511 12.324 4.776 1.00 0.62 H new ATOM 0 HA THR A 14 2.098 12.896 7.531 1.00 0.67 H new ATOM 0 HB THR A 14 3.953 13.764 6.186 1.00 0.79 H new ATOM 0 HG1 THR A 14 2.168 15.383 7.651 1.00 1.46 H new ATOM 0 HG21 THR A 14 3.659 15.715 4.712 1.00 0.94 H new ATOM 0 HG22 THR A 14 2.864 14.255 4.075 1.00 0.94 H new ATOM 0 HG23 THR A 14 1.893 15.534 4.842 1.00 0.94 H new ATOM 209 N CYS A 15 -0.409 13.681 5.708 1.00 0.51 N ATOM 210 CA CYS A 15 -1.752 14.241 5.779 1.00 0.49 C ATOM 211 C CYS A 15 -2.713 13.451 4.894 1.00 0.43 C ATOM 212 O CYS A 15 -2.304 12.566 4.137 1.00 0.42 O ATOM 213 CB CYS A 15 -1.721 15.723 5.376 1.00 0.53 C ATOM 214 SG CYS A 15 -1.367 16.015 3.627 1.00 0.58 S ATOM 0 H CYS A 15 -0.249 13.082 4.898 1.00 0.51 H new ATOM 0 HA CYS A 15 -2.112 14.169 6.805 1.00 0.49 H new ATOM 0 HB2 CYS A 15 -2.683 16.173 5.619 1.00 0.53 H new ATOM 0 HB3 CYS A 15 -0.969 16.235 5.977 1.00 0.53 H new ATOM 0 HG CYS A 15 -1.366 17.294 3.392 1.00 0.58 H new ATOM 219 N ALA A 16 -3.998 13.815 4.958 1.00 0.46 N ATOM 220 CA ALA A 16 -5.056 13.253 4.129 1.00 0.47 C ATOM 221 C ALA A 16 -4.657 13.213 2.651 1.00 0.44 C ATOM 222 O ALA A 16 -4.955 12.244 1.952 1.00 0.47 O ATOM 223 CB ALA A 16 -6.338 14.070 4.315 1.00 0.56 C ATOM 0 H ALA A 16 -4.334 14.527 5.606 1.00 0.46 H new ATOM 0 HA ALA A 16 -5.228 12.224 4.445 1.00 0.47 H new ATOM 0 HB1 ALA A 16 -7.130 13.650 3.695 1.00 0.56 H new ATOM 0 HB2 ALA A 16 -6.641 14.038 5.362 1.00 0.56 H new ATOM 0 HB3 ALA A 16 -6.157 15.104 4.021 1.00 0.56 H new ATOM 229 N SER A 17 -3.976 14.267 2.184 1.00 0.44 N ATOM 230 CA SER A 17 -3.507 14.365 0.810 1.00 0.48 C ATOM 231 C SER A 17 -2.556 13.217 0.464 1.00 0.50 C ATOM 232 O SER A 17 -2.525 12.794 -0.688 1.00 0.67 O ATOM 233 CB SER A 17 -2.838 15.717 0.537 1.00 0.59 C ATOM 234 OG SER A 17 -2.792 15.954 -0.858 1.00 2.29 O ATOM 0 H SER A 17 -3.737 15.076 2.757 1.00 0.44 H new ATOM 0 HA SER A 17 -4.383 14.288 0.166 1.00 0.48 H new ATOM 0 HB2 SER A 17 -3.392 16.514 1.033 1.00 0.59 H new ATOM 0 HB3 SER A 17 -1.829 15.725 0.950 1.00 0.59 H new ATOM 0 HG SER A 17 -2.365 16.820 -1.029 1.00 2.29 H new ATOM 240 N CYS A 18 -1.760 12.734 1.422 1.00 0.42 N ATOM 241 CA CYS A 18 -0.983 11.521 1.233 1.00 0.44 C ATOM 242 C CYS A 18 -1.912 10.310 1.236 1.00 0.43 C ATOM 243 O CYS A 18 -1.892 9.503 0.309 1.00 0.49 O ATOM 244 CB CYS A 18 0.081 11.398 2.323 1.00 0.53 C ATOM 245 SG CYS A 18 1.208 12.810 2.422 1.00 0.69 S ATOM 0 H CYS A 18 -1.641 13.171 2.336 1.00 0.42 H new ATOM 0 HA CYS A 18 -0.474 11.565 0.270 1.00 0.44 H new ATOM 0 HB2 CYS A 18 -0.414 11.274 3.286 1.00 0.53 H new ATOM 0 HB3 CYS A 18 0.664 10.494 2.146 1.00 0.53 H new ATOM 0 HG CYS A 18 0.724 13.695 3.242 1.00 0.69 H new ATOM 250 N VAL A 19 -2.713 10.187 2.296 1.00 0.45 N ATOM 251 CA VAL A 19 -3.582 9.038 2.534 1.00 0.53 C ATOM 252 C VAL A 19 -4.365 8.674 1.265 1.00 0.51 C ATOM 253 O VAL A 19 -4.235 7.563 0.744 1.00 0.58 O ATOM 254 CB VAL A 19 -4.505 9.329 3.734 1.00 0.63 C ATOM 255 CG1 VAL A 19 -5.504 8.202 4.010 1.00 0.79 C ATOM 256 CG2 VAL A 19 -3.700 9.530 5.024 1.00 0.74 C ATOM 0 H VAL A 19 -2.775 10.897 3.025 1.00 0.45 H new ATOM 0 HA VAL A 19 -2.976 8.167 2.783 1.00 0.53 H new ATOM 0 HB VAL A 19 -5.043 10.235 3.457 1.00 0.63 H new ATOM 0 HG11 VAL A 19 -6.124 8.467 4.866 1.00 0.79 H new ATOM 0 HG12 VAL A 19 -6.137 8.054 3.135 1.00 0.79 H new ATOM 0 HG13 VAL A 19 -4.963 7.281 4.226 1.00 0.79 H new ATOM 0 HG21 VAL A 19 -4.381 9.733 5.850 1.00 0.74 H new ATOM 0 HG22 VAL A 19 -3.127 8.628 5.240 1.00 0.74 H new ATOM 0 HG23 VAL A 19 -3.019 10.372 4.900 1.00 0.74 H new ATOM 266 N HIS A 20 -5.186 9.601 0.759 1.00 0.48 N ATOM 267 CA HIS A 20 -6.043 9.284 -0.377 1.00 0.52 C ATOM 268 C HIS A 20 -5.230 9.102 -1.665 1.00 0.51 C ATOM 269 O HIS A 20 -5.612 8.308 -2.521 1.00 0.61 O ATOM 270 CB HIS A 20 -7.214 10.272 -0.512 1.00 0.59 C ATOM 271 CG HIS A 20 -6.939 11.548 -1.268 1.00 0.54 C ATOM 272 ND1 HIS A 20 -7.788 12.143 -2.174 1.00 0.65 N ATOM 273 CD2 HIS A 20 -5.825 12.335 -1.177 1.00 0.61 C ATOM 274 CE1 HIS A 20 -7.189 13.262 -2.618 1.00 0.68 C ATOM 275 NE2 HIS A 20 -5.987 13.419 -2.042 1.00 0.74 N ATOM 0 H HIS A 20 -5.272 10.554 1.112 1.00 0.48 H new ATOM 0 HA HIS A 20 -6.508 8.317 -0.184 1.00 0.52 H new ATOM 0 HB2 HIS A 20 -8.039 9.757 -1.003 1.00 0.59 H new ATOM 0 HB3 HIS A 20 -7.554 10.536 0.489 1.00 0.59 H new ATOM 0 HD2 HIS A 20 -4.968 12.150 -0.546 1.00 0.61 H new ATOM 0 HE1 HIS A 20 -7.617 13.942 -3.340 1.00 0.68 H new ATOM 0 HE2 HIS A 20 -5.325 14.178 -2.204 1.00 0.74 H new ATOM 283 N LYS A 21 -4.104 9.812 -1.803 1.00 0.46 N ATOM 284 CA LYS A 21 -3.213 9.678 -2.945 1.00 0.50 C ATOM 285 C LYS A 21 -2.700 8.242 -3.006 1.00 0.52 C ATOM 286 O LYS A 21 -2.808 7.599 -4.048 1.00 0.63 O ATOM 287 CB LYS A 21 -2.084 10.717 -2.838 1.00 0.54 C ATOM 288 CG LYS A 21 -0.958 10.595 -3.874 1.00 0.70 C ATOM 289 CD LYS A 21 0.081 11.696 -3.595 1.00 1.08 C ATOM 290 CE LYS A 21 1.325 11.542 -4.485 1.00 1.99 C ATOM 291 NZ LYS A 21 2.389 12.516 -4.155 1.00 2.98 N ATOM 0 H LYS A 21 -3.790 10.498 -1.117 1.00 0.46 H new ATOM 0 HA LYS A 21 -3.738 9.877 -3.879 1.00 0.50 H new ATOM 0 HB2 LYS A 21 -2.523 11.711 -2.923 1.00 0.54 H new ATOM 0 HB3 LYS A 21 -1.645 10.646 -1.843 1.00 0.54 H new ATOM 0 HG2 LYS A 21 -0.493 9.611 -3.814 1.00 0.70 H new ATOM 0 HG3 LYS A 21 -1.358 10.698 -4.883 1.00 0.70 H new ATOM 0 HD2 LYS A 21 -0.370 12.674 -3.766 1.00 1.08 H new ATOM 0 HD3 LYS A 21 0.377 11.660 -2.547 1.00 1.08 H new ATOM 0 HE2 LYS A 21 1.719 10.531 -4.380 1.00 1.99 H new ATOM 0 HE3 LYS A 21 1.037 11.665 -5.529 1.00 1.99 H new ATOM 0 HZ1 LYS A 21 3.203 12.367 -4.785 1.00 2.98 H new ATOM 0 HZ2 LYS A 21 2.026 13.482 -4.281 1.00 2.98 H new ATOM 0 HZ3 LYS A 21 2.687 12.384 -3.167 1.00 2.98 H new ATOM 305 N ILE A 22 -2.156 7.734 -1.897 1.00 0.46 N ATOM 306 CA ILE A 22 -1.659 6.366 -1.803 1.00 0.53 C ATOM 307 C ILE A 22 -2.741 5.399 -2.273 1.00 0.60 C ATOM 308 O ILE A 22 -2.530 4.651 -3.230 1.00 0.71 O ATOM 309 CB ILE A 22 -1.196 6.071 -0.363 1.00 0.58 C ATOM 310 CG1 ILE A 22 0.057 6.902 -0.069 1.00 0.55 C ATOM 311 CG2 ILE A 22 -0.880 4.582 -0.160 1.00 0.81 C ATOM 312 CD1 ILE A 22 0.297 7.094 1.427 1.00 0.90 C ATOM 0 H ILE A 22 -2.049 8.268 -1.034 1.00 0.46 H new ATOM 0 HA ILE A 22 -0.793 6.236 -2.452 1.00 0.53 H new ATOM 0 HB ILE A 22 -2.004 6.335 0.319 1.00 0.58 H new ATOM 0 HG12 ILE A 22 0.925 6.414 -0.513 1.00 0.55 H new ATOM 0 HG13 ILE A 22 -0.038 7.877 -0.546 1.00 0.55 H new ATOM 0 HG21 ILE A 22 -0.557 4.415 0.868 1.00 0.81 H new ATOM 0 HG22 ILE A 22 -1.773 3.990 -0.360 1.00 0.81 H new ATOM 0 HG23 ILE A 22 -0.085 4.282 -0.843 1.00 0.81 H new ATOM 0 HD11 ILE A 22 1.197 7.690 1.578 1.00 0.90 H new ATOM 0 HD12 ILE A 22 -0.556 7.608 1.869 1.00 0.90 H new ATOM 0 HD13 ILE A 22 0.422 6.122 1.903 1.00 0.90 H new ATOM 324 N GLU A 23 -3.897 5.436 -1.606 1.00 0.57 N ATOM 325 CA GLU A 23 -5.004 4.538 -1.903 1.00 0.62 C ATOM 326 C GLU A 23 -5.359 4.624 -3.393 1.00 0.62 C ATOM 327 O GLU A 23 -5.267 3.633 -4.116 1.00 0.72 O ATOM 328 CB GLU A 23 -6.181 4.866 -0.970 1.00 0.66 C ATOM 329 CG GLU A 23 -7.105 3.661 -0.766 1.00 1.39 C ATOM 330 CD GLU A 23 -7.830 3.239 -2.042 1.00 2.68 C ATOM 331 OE1 GLU A 23 -8.274 4.156 -2.764 1.00 3.60 O ATOM 332 OE2 GLU A 23 -7.910 2.016 -2.285 1.00 3.73 O ATOM 0 H GLU A 23 -4.087 6.090 -0.847 1.00 0.57 H new ATOM 0 HA GLU A 23 -4.727 3.501 -1.715 1.00 0.62 H new ATOM 0 HB2 GLU A 23 -5.797 5.196 -0.005 1.00 0.66 H new ATOM 0 HB3 GLU A 23 -6.753 5.695 -1.386 1.00 0.66 H new ATOM 0 HG2 GLU A 23 -6.519 2.821 -0.393 1.00 1.39 H new ATOM 0 HG3 GLU A 23 -7.842 3.901 0.001 1.00 1.39 H new ATOM 339 N SER A 24 -5.675 5.835 -3.857 1.00 0.58 N ATOM 340 CA SER A 24 -6.055 6.119 -5.233 1.00 0.61 C ATOM 341 C SER A 24 -5.012 5.588 -6.223 1.00 0.66 C ATOM 342 O SER A 24 -5.351 5.012 -7.255 1.00 0.75 O ATOM 343 CB SER A 24 -6.256 7.633 -5.390 1.00 0.65 C ATOM 344 OG SER A 24 -6.715 7.960 -6.685 1.00 0.85 O ATOM 0 H SER A 24 -5.672 6.665 -3.265 1.00 0.58 H new ATOM 0 HA SER A 24 -6.990 5.606 -5.461 1.00 0.61 H new ATOM 0 HB2 SER A 24 -6.973 7.985 -4.648 1.00 0.65 H new ATOM 0 HB3 SER A 24 -5.316 8.149 -5.194 1.00 0.65 H new ATOM 0 HG SER A 24 -6.835 8.930 -6.754 1.00 0.85 H new ATOM 350 N SER A 25 -3.725 5.776 -5.918 1.00 0.67 N ATOM 351 CA SER A 25 -2.661 5.407 -6.831 1.00 0.69 C ATOM 352 C SER A 25 -2.570 3.892 -6.898 1.00 0.74 C ATOM 353 O SER A 25 -2.445 3.317 -7.974 1.00 0.90 O ATOM 354 CB SER A 25 -1.339 6.008 -6.364 1.00 0.70 C ATOM 355 OG SER A 25 -1.423 7.418 -6.359 1.00 1.93 O ATOM 0 H SER A 25 -3.403 6.184 -5.040 1.00 0.67 H new ATOM 0 HA SER A 25 -2.876 5.796 -7.826 1.00 0.69 H new ATOM 0 HB2 SER A 25 -1.099 5.646 -5.364 1.00 0.70 H new ATOM 0 HB3 SER A 25 -0.532 5.686 -7.022 1.00 0.70 H new ATOM 0 HG SER A 25 -1.901 7.714 -5.556 1.00 1.93 H new ATOM 361 N LEU A 26 -2.625 3.243 -5.738 1.00 0.71 N ATOM 362 CA LEU A 26 -2.545 1.802 -5.669 1.00 0.78 C ATOM 363 C LEU A 26 -3.749 1.157 -6.358 1.00 0.76 C ATOM 364 O LEU A 26 -3.589 0.358 -7.276 1.00 0.68 O ATOM 365 CB LEU A 26 -2.449 1.375 -4.210 1.00 0.88 C ATOM 366 CG LEU A 26 -1.052 1.570 -3.609 1.00 0.99 C ATOM 367 CD1 LEU A 26 -1.148 1.452 -2.084 1.00 2.71 C ATOM 368 CD2 LEU A 26 -0.041 0.535 -4.122 1.00 1.77 C ATOM 0 H LEU A 26 -2.725 3.703 -4.833 1.00 0.71 H new ATOM 0 HA LEU A 26 -1.653 1.464 -6.195 1.00 0.78 H new ATOM 0 HB2 LEU A 26 -3.171 1.944 -3.624 1.00 0.88 H new ATOM 0 HB3 LEU A 26 -2.729 0.325 -4.127 1.00 0.88 H new ATOM 0 HG LEU A 26 -0.698 2.556 -3.911 1.00 0.99 H new ATOM 0 HD11 LEU A 26 -0.160 1.589 -1.646 1.00 2.71 H new ATOM 0 HD12 LEU A 26 -1.824 2.217 -1.702 1.00 2.71 H new ATOM 0 HD13 LEU A 26 -1.529 0.466 -1.819 1.00 2.71 H new ATOM 0 HD21 LEU A 26 0.931 0.719 -3.665 1.00 1.77 H new ATOM 0 HD22 LEU A 26 -0.381 -0.467 -3.860 1.00 1.77 H new ATOM 0 HD23 LEU A 26 0.046 0.617 -5.205 1.00 1.77 H new ATOM 380 N THR A 27 -4.965 1.512 -5.943 1.00 0.90 N ATOM 381 CA THR A 27 -6.181 0.902 -6.471 1.00 0.98 C ATOM 382 C THR A 27 -6.269 1.043 -8.004 1.00 0.94 C ATOM 383 O THR A 27 -6.957 0.274 -8.672 1.00 1.27 O ATOM 384 CB THR A 27 -7.397 1.438 -5.692 1.00 1.18 C ATOM 385 OG1 THR A 27 -8.488 0.546 -5.756 1.00 2.64 O ATOM 386 CG2 THR A 27 -7.856 2.817 -6.164 1.00 1.72 C ATOM 0 H THR A 27 -5.132 2.227 -5.235 1.00 0.90 H new ATOM 0 HA THR A 27 -6.164 -0.176 -6.312 1.00 0.98 H new ATOM 0 HB THR A 27 -7.056 1.531 -4.661 1.00 1.18 H new ATOM 0 HG1 THR A 27 -9.242 0.915 -5.251 1.00 2.64 H new ATOM 0 HG21 THR A 27 -8.716 3.136 -5.574 1.00 1.72 H new ATOM 0 HG22 THR A 27 -7.044 3.533 -6.039 1.00 1.72 H new ATOM 0 HG23 THR A 27 -8.136 2.767 -7.216 1.00 1.72 H new ATOM 394 N LYS A 28 -5.524 1.993 -8.589 1.00 0.92 N ATOM 395 CA LYS A 28 -5.432 2.157 -10.031 1.00 0.92 C ATOM 396 C LYS A 28 -4.852 0.924 -10.732 1.00 0.79 C ATOM 397 O LYS A 28 -5.225 0.637 -11.869 1.00 0.97 O ATOM 398 CB LYS A 28 -4.685 3.458 -10.377 1.00 1.08 C ATOM 399 CG LYS A 28 -3.199 3.372 -10.770 1.00 1.47 C ATOM 400 CD LYS A 28 -3.023 3.295 -12.294 1.00 2.35 C ATOM 401 CE LYS A 28 -1.538 3.386 -12.671 1.00 3.57 C ATOM 402 NZ LYS A 28 -1.340 3.417 -14.135 1.00 4.73 N ATOM 0 H LYS A 28 -4.969 2.668 -8.064 1.00 0.92 H new ATOM 0 HA LYS A 28 -6.445 2.249 -10.423 1.00 0.92 H new ATOM 0 HB2 LYS A 28 -5.218 3.937 -11.199 1.00 1.08 H new ATOM 0 HB3 LYS A 28 -4.762 4.123 -9.517 1.00 1.08 H new ATOM 0 HG2 LYS A 28 -2.669 4.243 -10.385 1.00 1.47 H new ATOM 0 HG3 LYS A 28 -2.749 2.494 -10.306 1.00 1.47 H new ATOM 0 HD2 LYS A 28 -3.442 2.361 -12.667 1.00 2.35 H new ATOM 0 HD3 LYS A 28 -3.575 4.105 -12.771 1.00 2.35 H new ATOM 0 HE2 LYS A 28 -1.106 4.283 -12.228 1.00 3.57 H new ATOM 0 HE3 LYS A 28 -1.004 2.534 -12.251 1.00 3.57 H new ATOM 0 HZ1 LYS A 28 -0.324 3.479 -14.347 1.00 4.73 H new ATOM 0 HZ2 LYS A 28 -1.729 2.550 -14.556 1.00 4.73 H new ATOM 0 HZ3 LYS A 28 -1.827 4.245 -14.534 1.00 4.73 H new ATOM 416 N HIS A 29 -3.905 0.216 -10.105 1.00 0.60 N ATOM 417 CA HIS A 29 -3.355 -0.990 -10.706 1.00 0.65 C ATOM 418 C HIS A 29 -4.335 -2.131 -10.437 1.00 0.87 C ATOM 419 O HIS A 29 -4.574 -2.469 -9.280 1.00 1.73 O ATOM 420 CB HIS A 29 -1.959 -1.345 -10.168 1.00 0.74 C ATOM 421 CG HIS A 29 -1.064 -0.198 -9.769 1.00 0.77 C ATOM 422 ND1 HIS A 29 -0.153 0.463 -10.560 1.00 1.62 N ATOM 423 CD2 HIS A 29 -0.835 0.195 -8.481 1.00 1.00 C ATOM 424 CE1 HIS A 29 0.564 1.269 -9.754 1.00 1.46 C ATOM 425 NE2 HIS A 29 0.201 1.128 -8.473 1.00 1.08 N ATOM 0 H HIS A 29 -3.513 0.458 -9.195 1.00 0.60 H new ATOM 0 HA HIS A 29 -3.228 -0.820 -11.775 1.00 0.65 H new ATOM 0 HB2 HIS A 29 -2.085 -1.993 -9.301 1.00 0.74 H new ATOM 0 HB3 HIS A 29 -1.442 -1.929 -10.929 1.00 0.74 H new ATOM 0 HD1 HIS A 29 -0.041 0.362 -11.569 1.00 1.62 H new ATOM 0 HD2 HIS A 29 -1.369 -0.159 -7.611 1.00 1.00 H new ATOM 0 HE1 HIS A 29 1.334 1.944 -10.097 1.00 1.46 H new ATOM 433 N ARG A 30 -4.873 -2.749 -11.492 1.00 0.77 N ATOM 434 CA ARG A 30 -5.858 -3.823 -11.387 1.00 0.90 C ATOM 435 C ARG A 30 -5.458 -4.941 -10.411 1.00 0.99 C ATOM 436 O ARG A 30 -6.325 -5.601 -9.849 1.00 1.84 O ATOM 437 CB ARG A 30 -6.175 -4.395 -12.777 1.00 1.21 C ATOM 438 CG ARG A 30 -4.927 -4.878 -13.536 1.00 2.71 C ATOM 439 CD ARG A 30 -5.276 -5.699 -14.785 1.00 3.54 C ATOM 440 NE ARG A 30 -6.024 -4.912 -15.782 1.00 4.01 N ATOM 441 CZ ARG A 30 -7.357 -4.914 -15.969 1.00 4.49 C ATOM 442 NH1 ARG A 30 -8.155 -5.630 -15.169 1.00 4.71 N ATOM 443 NH2 ARG A 30 -7.886 -4.191 -16.962 1.00 5.56 N ATOM 0 H ARG A 30 -4.632 -2.513 -12.454 1.00 0.77 H new ATOM 0 HA ARG A 30 -6.757 -3.373 -10.965 1.00 0.90 H new ATOM 0 HB2 ARG A 30 -6.871 -5.227 -12.670 1.00 1.21 H new ATOM 0 HB3 ARG A 30 -6.679 -3.632 -13.370 1.00 1.21 H new ATOM 0 HG2 ARG A 30 -4.328 -4.016 -13.828 1.00 2.71 H new ATOM 0 HG3 ARG A 30 -4.312 -5.482 -12.869 1.00 2.71 H new ATOM 0 HD2 ARG A 30 -4.359 -6.076 -15.237 1.00 3.54 H new ATOM 0 HD3 ARG A 30 -5.867 -6.567 -14.493 1.00 3.54 H new ATOM 0 HE ARG A 30 -5.476 -4.305 -16.392 1.00 4.01 H new ATOM 0 HH11 ARG A 30 -7.754 -6.181 -14.410 1.00 4.71 H new ATOM 0 HH12 ARG A 30 -9.164 -5.625 -15.318 1.00 4.71 H new ATOM 0 HH21 ARG A 30 -7.280 -3.642 -17.572 1.00 5.56 H new ATOM 0 HH22 ARG A 30 -8.895 -4.188 -17.109 1.00 5.56 H new ATOM 457 N GLY A 31 -4.155 -5.175 -10.232 1.00 0.74 N ATOM 458 CA GLY A 31 -3.657 -6.200 -9.329 1.00 0.77 C ATOM 459 C GLY A 31 -3.962 -5.909 -7.860 1.00 0.75 C ATOM 460 O GLY A 31 -3.959 -6.838 -7.055 1.00 0.97 O ATOM 0 H GLY A 31 -3.420 -4.655 -10.712 1.00 0.74 H new ATOM 0 HA2 GLY A 31 -4.097 -7.160 -9.601 1.00 0.77 H new ATOM 0 HA3 GLY A 31 -2.579 -6.295 -9.457 1.00 0.77 H new ATOM 464 N ILE A 32 -4.201 -4.642 -7.493 1.00 0.83 N ATOM 465 CA ILE A 32 -4.598 -4.266 -6.149 1.00 0.88 C ATOM 466 C ILE A 32 -6.112 -4.441 -6.045 1.00 0.93 C ATOM 467 O ILE A 32 -6.867 -3.692 -6.659 1.00 1.43 O ATOM 468 CB ILE A 32 -4.156 -2.824 -5.821 1.00 0.97 C ATOM 469 CG1 ILE A 32 -2.703 -2.522 -6.207 1.00 2.33 C ATOM 470 CG2 ILE A 32 -4.339 -2.590 -4.324 1.00 2.28 C ATOM 471 CD1 ILE A 32 -1.680 -3.347 -5.442 1.00 4.39 C ATOM 0 H ILE A 32 -4.121 -3.851 -8.133 1.00 0.83 H new ATOM 0 HA ILE A 32 -4.107 -4.904 -5.414 1.00 0.88 H new ATOM 0 HB ILE A 32 -4.778 -2.153 -6.414 1.00 0.97 H new ATOM 0 HG12 ILE A 32 -2.576 -2.702 -7.275 1.00 2.33 H new ATOM 0 HG13 ILE A 32 -2.504 -1.464 -6.036 1.00 2.33 H new ATOM 0 HG21 ILE A 32 -4.031 -1.575 -4.074 1.00 2.28 H new ATOM 0 HG22 ILE A 32 -5.388 -2.727 -4.060 1.00 2.28 H new ATOM 0 HG23 ILE A 32 -3.729 -3.301 -3.767 1.00 2.28 H new ATOM 0 HD11 ILE A 32 -0.676 -3.077 -5.770 1.00 4.39 H new ATOM 0 HD12 ILE A 32 -1.778 -3.150 -4.375 1.00 4.39 H new ATOM 0 HD13 ILE A 32 -1.851 -4.406 -5.632 1.00 4.39 H new ATOM 483 N LEU A 33 -6.560 -5.434 -5.276 1.00 0.60 N ATOM 484 CA LEU A 33 -7.975 -5.721 -5.094 1.00 0.63 C ATOM 485 C LEU A 33 -8.560 -4.794 -4.034 1.00 0.65 C ATOM 486 O LEU A 33 -9.736 -4.445 -4.110 1.00 0.80 O ATOM 487 CB LEU A 33 -8.179 -7.192 -4.696 1.00 0.66 C ATOM 488 CG LEU A 33 -8.233 -8.176 -5.877 1.00 1.02 C ATOM 489 CD1 LEU A 33 -9.554 -8.070 -6.649 1.00 2.78 C ATOM 490 CD2 LEU A 33 -7.054 -8.026 -6.842 1.00 1.93 C ATOM 0 H LEU A 33 -5.944 -6.063 -4.761 1.00 0.60 H new ATOM 0 HA LEU A 33 -8.494 -5.549 -6.037 1.00 0.63 H new ATOM 0 HB2 LEU A 33 -7.369 -7.490 -4.030 1.00 0.66 H new ATOM 0 HB3 LEU A 33 -9.106 -7.275 -4.129 1.00 0.66 H new ATOM 0 HG LEU A 33 -8.164 -9.167 -5.428 1.00 1.02 H new ATOM 0 HD11 LEU A 33 -9.551 -8.782 -7.475 1.00 2.78 H new ATOM 0 HD12 LEU A 33 -10.385 -8.294 -5.980 1.00 2.78 H new ATOM 0 HD13 LEU A 33 -9.666 -7.059 -7.042 1.00 2.78 H new ATOM 0 HD21 LEU A 33 -7.152 -8.749 -7.652 1.00 1.93 H new ATOM 0 HD22 LEU A 33 -7.048 -7.017 -7.255 1.00 1.93 H new ATOM 0 HD23 LEU A 33 -6.121 -8.205 -6.307 1.00 1.93 H new ATOM 502 N TYR A 34 -7.770 -4.421 -3.021 1.00 0.60 N ATOM 503 CA TYR A 34 -8.222 -3.489 -2.004 1.00 0.67 C ATOM 504 C TYR A 34 -7.017 -2.805 -1.379 1.00 0.62 C ATOM 505 O TYR A 34 -5.916 -3.356 -1.410 1.00 0.54 O ATOM 506 CB TYR A 34 -9.011 -4.246 -0.928 1.00 0.78 C ATOM 507 CG TYR A 34 -9.616 -3.365 0.142 1.00 0.91 C ATOM 508 CD1 TYR A 34 -10.548 -2.372 -0.212 1.00 1.41 C ATOM 509 CD2 TYR A 34 -9.189 -3.482 1.477 1.00 2.21 C ATOM 510 CE1 TYR A 34 -11.016 -1.470 0.759 1.00 1.49 C ATOM 511 CE2 TYR A 34 -9.717 -2.629 2.458 1.00 2.32 C ATOM 512 CZ TYR A 34 -10.591 -1.592 2.093 1.00 1.25 C ATOM 513 OH TYR A 34 -11.039 -0.723 3.041 1.00 1.48 O ATOM 0 H TYR A 34 -6.815 -4.755 -2.891 1.00 0.60 H new ATOM 0 HA TYR A 34 -8.869 -2.737 -2.456 1.00 0.67 H new ATOM 0 HB2 TYR A 34 -9.809 -4.810 -1.410 1.00 0.78 H new ATOM 0 HB3 TYR A 34 -8.350 -4.971 -0.453 1.00 0.78 H new ATOM 0 HD1 TYR A 34 -10.904 -2.303 -1.229 1.00 1.41 H new ATOM 0 HD2 TYR A 34 -8.456 -4.228 1.747 1.00 2.21 H new ATOM 0 HE1 TYR A 34 -11.702 -0.684 0.480 1.00 1.49 H new ATOM 0 HE2 TYR A 34 -9.451 -2.770 3.495 1.00 2.32 H new ATOM 0 HH TYR A 34 -10.847 -1.083 3.932 1.00 1.48 H new ATOM 523 N CYS A 35 -7.245 -1.641 -0.771 1.00 0.78 N ATOM 524 CA CYS A 35 -6.278 -0.972 0.074 1.00 0.86 C ATOM 525 C CYS A 35 -7.019 -0.253 1.201 1.00 0.88 C ATOM 526 O CYS A 35 -8.062 0.351 0.969 1.00 1.13 O ATOM 527 CB CYS A 35 -5.422 -0.025 -0.762 1.00 0.99 C ATOM 528 SG CYS A 35 -4.229 0.755 0.339 1.00 2.84 S ATOM 0 H CYS A 35 -8.126 -1.134 -0.859 1.00 0.78 H new ATOM 0 HA CYS A 35 -5.599 -1.694 0.527 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -4.910 -0.571 -1.554 1.00 0.99 H new ATOM 0 HB3 CYS A 35 -6.045 0.728 -1.245 1.00 0.99 H new ATOM 0 HG CYS A 35 -3.478 1.570 -0.341 1.00 2.84 H new ATOM 534 N SER A 36 -6.517 -0.371 2.434 1.00 0.85 N ATOM 535 CA SER A 36 -6.996 0.343 3.606 1.00 0.96 C ATOM 536 C SER A 36 -5.790 1.044 4.220 1.00 0.75 C ATOM 537 O SER A 36 -5.048 0.452 5.011 1.00 0.90 O ATOM 538 CB SER A 36 -7.715 -0.603 4.578 1.00 1.22 C ATOM 539 OG SER A 36 -7.725 -0.113 5.913 1.00 2.18 O ATOM 0 H SER A 36 -5.736 -0.992 2.644 1.00 0.85 H new ATOM 0 HA SER A 36 -7.747 1.088 3.342 1.00 0.96 H new ATOM 0 HB2 SER A 36 -8.741 -0.752 4.242 1.00 1.22 H new ATOM 0 HB3 SER A 36 -7.228 -1.578 4.557 1.00 1.22 H new ATOM 0 HG SER A 36 -8.195 -0.749 6.492 1.00 2.18 H new ATOM 545 N VAL A 37 -5.615 2.308 3.842 1.00 0.60 N ATOM 546 CA VAL A 37 -4.561 3.191 4.307 1.00 0.51 C ATOM 547 C VAL A 37 -4.898 3.741 5.698 1.00 0.66 C ATOM 548 O VAL A 37 -6.070 3.939 6.012 1.00 1.04 O ATOM 549 CB VAL A 37 -4.383 4.341 3.300 1.00 1.04 C ATOM 550 CG1 VAL A 37 -3.745 3.867 1.995 1.00 1.24 C ATOM 551 CG2 VAL A 37 -5.701 5.053 2.953 1.00 2.46 C ATOM 0 H VAL A 37 -6.236 2.761 3.172 1.00 0.60 H new ATOM 0 HA VAL A 37 -3.628 2.632 4.383 1.00 0.51 H new ATOM 0 HB VAL A 37 -3.724 5.047 3.805 1.00 1.04 H new ATOM 0 HG11 VAL A 37 -3.639 4.712 1.314 1.00 1.24 H new ATOM 0 HG12 VAL A 37 -2.763 3.443 2.203 1.00 1.24 H new ATOM 0 HG13 VAL A 37 -4.378 3.108 1.535 1.00 1.24 H new ATOM 0 HG21 VAL A 37 -5.505 5.853 2.239 1.00 2.46 H new ATOM 0 HG22 VAL A 37 -6.397 4.337 2.515 1.00 2.46 H new ATOM 0 HG23 VAL A 37 -6.136 5.474 3.859 1.00 2.46 H new ATOM 561 N ALA A 38 -3.884 4.004 6.532 1.00 0.57 N ATOM 562 CA ALA A 38 -4.050 4.817 7.735 1.00 0.74 C ATOM 563 C ALA A 38 -2.723 5.442 8.164 1.00 0.70 C ATOM 564 O ALA A 38 -1.769 4.718 8.437 1.00 0.76 O ATOM 565 CB ALA A 38 -4.618 3.977 8.881 1.00 0.94 C ATOM 0 H ALA A 38 -2.934 3.661 6.390 1.00 0.57 H new ATOM 0 HA ALA A 38 -4.752 5.617 7.498 1.00 0.74 H new ATOM 0 HB1 ALA A 38 -4.734 4.601 9.767 1.00 0.94 H new ATOM 0 HB2 ALA A 38 -5.589 3.575 8.591 1.00 0.94 H new ATOM 0 HB3 ALA A 38 -3.937 3.156 9.102 1.00 0.94 H new ATOM 571 N LEU A 39 -2.679 6.773 8.284 1.00 0.77 N ATOM 572 CA LEU A 39 -1.529 7.514 8.798 1.00 0.85 C ATOM 573 C LEU A 39 -1.379 7.407 10.321 1.00 0.95 C ATOM 574 O LEU A 39 -0.373 7.850 10.867 1.00 1.14 O ATOM 575 CB LEU A 39 -1.550 8.978 8.320 1.00 1.08 C ATOM 576 CG LEU A 39 -2.814 9.816 8.594 1.00 0.70 C ATOM 577 CD1 LEU A 39 -3.173 9.945 10.079 1.00 1.44 C ATOM 578 CD2 LEU A 39 -2.581 11.228 8.035 1.00 1.05 C ATOM 0 H LEU A 39 -3.459 7.375 8.020 1.00 0.77 H new ATOM 0 HA LEU A 39 -0.640 7.041 8.380 1.00 0.85 H new ATOM 0 HB2 LEU A 39 -0.705 9.490 8.780 1.00 1.08 H new ATOM 0 HB3 LEU A 39 -1.377 8.979 7.244 1.00 1.08 H new ATOM 0 HG LEU A 39 -3.644 9.299 8.113 1.00 0.70 H new ATOM 0 HD11 LEU A 39 -4.074 10.549 10.184 1.00 1.44 H new ATOM 0 HD12 LEU A 39 -3.349 8.954 10.498 1.00 1.44 H new ATOM 0 HD13 LEU A 39 -2.351 10.423 10.612 1.00 1.44 H new ATOM 0 HD21 LEU A 39 -3.463 11.842 8.217 1.00 1.05 H new ATOM 0 HD22 LEU A 39 -1.719 11.677 8.528 1.00 1.05 H new ATOM 0 HD23 LEU A 39 -2.395 11.169 6.963 1.00 1.05 H new ATOM 590 N ALA A 40 -2.366 6.829 11.017 1.00 1.19 N ATOM 591 CA ALA A 40 -2.284 6.600 12.452 1.00 1.47 C ATOM 592 C ALA A 40 -1.355 5.414 12.696 1.00 1.56 C ATOM 593 O ALA A 40 -0.252 5.562 13.219 1.00 2.19 O ATOM 594 CB ALA A 40 -3.686 6.363 13.024 1.00 1.68 C ATOM 0 H ALA A 40 -3.239 6.510 10.596 1.00 1.19 H new ATOM 0 HA ALA A 40 -1.876 7.472 12.962 1.00 1.47 H new ATOM 0 HB1 ALA A 40 -3.617 6.192 14.098 1.00 1.68 H new ATOM 0 HB2 ALA A 40 -4.309 7.237 12.835 1.00 1.68 H new ATOM 0 HB3 ALA A 40 -4.131 5.490 12.546 1.00 1.68 H new ATOM 600 N THR A 41 -1.754 4.237 12.219 1.00 1.19 N ATOM 601 CA THR A 41 -0.942 3.038 12.306 1.00 1.23 C ATOM 602 C THR A 41 0.170 3.067 11.253 1.00 1.12 C ATOM 603 O THR A 41 1.038 2.200 11.276 1.00 1.43 O ATOM 604 CB THR A 41 -1.863 1.826 12.125 1.00 1.29 C ATOM 605 OG1 THR A 41 -2.871 2.144 11.184 1.00 2.03 O ATOM 606 CG2 THR A 41 -2.553 1.466 13.442 1.00 1.72 C ATOM 0 H THR A 41 -2.654 4.094 11.761 1.00 1.19 H new ATOM 0 HA THR A 41 -0.454 2.976 13.279 1.00 1.23 H new ATOM 0 HB THR A 41 -1.257 0.986 11.787 1.00 1.29 H new ATOM 0 HG1 THR A 41 -3.462 1.371 11.064 1.00 2.03 H new ATOM 0 HG21 THR A 41 -3.201 0.603 13.289 1.00 1.72 H new ATOM 0 HG22 THR A 41 -1.801 1.226 14.193 1.00 1.72 H new ATOM 0 HG23 THR A 41 -3.149 2.312 13.783 1.00 1.72 H new ATOM 614 N ASN A 42 0.168 4.071 10.363 1.00 0.86 N ATOM 615 CA ASN A 42 1.180 4.275 9.334 1.00 0.84 C ATOM 616 C ASN A 42 1.230 3.025 8.482 1.00 0.89 C ATOM 617 O ASN A 42 2.263 2.371 8.395 1.00 1.10 O ATOM 618 CB ASN A 42 2.551 4.614 9.937 1.00 0.96 C ATOM 619 CG ASN A 42 2.598 6.046 10.427 1.00 0.95 C ATOM 620 OD1 ASN A 42 3.263 6.892 9.834 1.00 2.36 O ATOM 621 ND2 ASN A 42 1.871 6.344 11.496 1.00 1.56 N ATOM 0 H ASN A 42 -0.564 4.781 10.345 1.00 0.86 H new ATOM 0 HA ASN A 42 0.913 5.133 8.717 1.00 0.84 H new ATOM 0 HB2 ASN A 42 2.764 3.937 10.764 1.00 0.96 H new ATOM 0 HB3 ASN A 42 3.328 4.458 9.189 1.00 0.96 H new ATOM 0 HD21 ASN A 42 1.852 7.301 11.850 1.00 1.56 H new ATOM 0 HD22 ASN A 42 1.331 5.617 11.964 1.00 1.56 H new ATOM 628 N LYS A 43 0.093 2.655 7.895 1.00 0.78 N ATOM 629 CA LYS A 43 -0.046 1.375 7.233 1.00 0.80 C ATOM 630 C LYS A 43 -0.901 1.478 5.995 1.00 0.60 C ATOM 631 O LYS A 43 -1.616 2.461 5.787 1.00 0.59 O ATOM 632 CB LYS A 43 -0.570 0.310 8.213 1.00 0.95 C ATOM 633 CG LYS A 43 -2.014 0.532 8.699 1.00 1.23 C ATOM 634 CD LYS A 43 -3.100 0.001 7.745 1.00 1.20 C ATOM 635 CE LYS A 43 -4.495 0.047 8.388 1.00 1.35 C ATOM 636 NZ LYS A 43 -5.532 -0.508 7.489 1.00 2.13 N ATOM 0 H LYS A 43 -0.746 3.234 7.869 1.00 0.78 H new ATOM 0 HA LYS A 43 0.942 1.058 6.900 1.00 0.80 H new ATOM 0 HB2 LYS A 43 -0.510 -0.666 7.732 1.00 0.95 H new ATOM 0 HB3 LYS A 43 0.089 0.279 9.080 1.00 0.95 H new ATOM 0 HG2 LYS A 43 -2.135 0.051 9.670 1.00 1.23 H new ATOM 0 HG3 LYS A 43 -2.172 1.600 8.850 1.00 1.23 H new ATOM 0 HD2 LYS A 43 -3.102 0.593 6.830 1.00 1.20 H new ATOM 0 HD3 LYS A 43 -2.864 -1.024 7.460 1.00 1.20 H new ATOM 0 HE2 LYS A 43 -4.484 -0.516 9.321 1.00 1.35 H new ATOM 0 HE3 LYS A 43 -4.746 1.077 8.640 1.00 1.35 H new ATOM 0 HZ1 LYS A 43 -6.399 0.061 7.566 1.00 2.13 H new ATOM 0 HZ2 LYS A 43 -5.189 -0.485 6.508 1.00 2.13 H new ATOM 0 HZ3 LYS A 43 -5.738 -1.490 7.761 1.00 2.13 H new ATOM 650 N ALA A 44 -0.863 0.387 5.235 1.00 0.55 N ATOM 651 CA ALA A 44 -1.771 0.111 4.148 1.00 0.46 C ATOM 652 C ALA A 44 -2.052 -1.384 4.188 1.00 0.46 C ATOM 653 O ALA A 44 -1.186 -2.174 3.823 1.00 0.62 O ATOM 654 CB ALA A 44 -1.176 0.571 2.817 1.00 0.62 C ATOM 0 H ALA A 44 -0.171 -0.350 5.372 1.00 0.55 H new ATOM 0 HA ALA A 44 -2.706 0.661 4.250 1.00 0.46 H new ATOM 0 HB1 ALA A 44 -1.877 0.354 2.011 1.00 0.62 H new ATOM 0 HB2 ALA A 44 -0.987 1.644 2.854 1.00 0.62 H new ATOM 0 HB3 ALA A 44 -0.239 0.044 2.636 1.00 0.62 H new ATOM 660 N HIS A 45 -3.254 -1.762 4.638 1.00 0.57 N ATOM 661 CA HIS A 45 -3.757 -3.122 4.499 1.00 0.67 C ATOM 662 C HIS A 45 -4.182 -3.200 3.048 1.00 0.68 C ATOM 663 O HIS A 45 -5.290 -2.803 2.693 1.00 0.86 O ATOM 664 CB HIS A 45 -4.859 -3.423 5.532 1.00 0.83 C ATOM 665 CG HIS A 45 -5.413 -4.834 5.505 1.00 0.88 C ATOM 666 ND1 HIS A 45 -5.675 -5.659 6.577 1.00 0.97 N ATOM 667 CD2 HIS A 45 -5.768 -5.537 4.391 1.00 0.97 C ATOM 668 CE1 HIS A 45 -6.200 -6.802 6.103 1.00 1.03 C ATOM 669 NE2 HIS A 45 -6.301 -6.767 4.766 1.00 1.01 N ATOM 0 H HIS A 45 -3.901 -1.129 5.108 1.00 0.57 H new ATOM 0 HA HIS A 45 -3.022 -3.897 4.716 1.00 0.67 H new ATOM 0 HB2 HIS A 45 -4.462 -3.226 6.528 1.00 0.83 H new ATOM 0 HB3 HIS A 45 -5.681 -2.726 5.373 1.00 0.83 H new ATOM 0 HD1 HIS A 45 -5.501 -5.441 7.558 1.00 0.97 H new ATOM 0 HD2 HIS A 45 -5.653 -5.192 3.374 1.00 0.97 H new ATOM 0 HE1 HIS A 45 -6.501 -7.638 6.717 1.00 1.03 H new ATOM 677 N ILE A 46 -3.250 -3.672 2.228 1.00 0.63 N ATOM 678 CA ILE A 46 -3.448 -3.951 0.828 1.00 0.64 C ATOM 679 C ILE A 46 -3.925 -5.392 0.736 1.00 0.66 C ATOM 680 O ILE A 46 -3.495 -6.244 1.511 1.00 0.99 O ATOM 681 CB ILE A 46 -2.136 -3.706 0.066 1.00 0.76 C ATOM 682 CG1 ILE A 46 -1.695 -2.248 0.281 1.00 1.42 C ATOM 683 CG2 ILE A 46 -2.328 -3.954 -1.435 1.00 1.21 C ATOM 684 CD1 ILE A 46 -0.361 -1.944 -0.388 1.00 1.83 C ATOM 0 H ILE A 46 -2.301 -3.876 2.542 1.00 0.63 H new ATOM 0 HA ILE A 46 -4.192 -3.298 0.372 1.00 0.64 H new ATOM 0 HB ILE A 46 -1.378 -4.393 0.442 1.00 0.76 H new ATOM 0 HG12 ILE A 46 -2.458 -1.578 -0.114 1.00 1.42 H new ATOM 0 HG13 ILE A 46 -1.617 -2.048 1.350 1.00 1.42 H new ATOM 0 HG21 ILE A 46 -1.388 -3.775 -1.957 1.00 1.21 H new ATOM 0 HG22 ILE A 46 -2.642 -4.985 -1.596 1.00 1.21 H new ATOM 0 HG23 ILE A 46 -3.091 -3.278 -1.821 1.00 1.21 H new ATOM 0 HD11 ILE A 46 -0.092 -0.903 -0.208 1.00 1.83 H new ATOM 0 HD12 ILE A 46 0.410 -2.594 0.025 1.00 1.83 H new ATOM 0 HD13 ILE A 46 -0.444 -2.117 -1.461 1.00 1.83 H new ATOM 696 N LYS A 47 -4.823 -5.665 -0.203 1.00 0.52 N ATOM 697 CA LYS A 47 -5.107 -7.010 -0.650 1.00 0.58 C ATOM 698 C LYS A 47 -4.884 -6.985 -2.158 1.00 0.51 C ATOM 699 O LYS A 47 -5.511 -6.175 -2.844 1.00 0.60 O ATOM 700 CB LYS A 47 -6.533 -7.400 -0.266 1.00 0.77 C ATOM 701 CG LYS A 47 -6.799 -7.236 1.236 1.00 0.86 C ATOM 702 CD LYS A 47 -8.050 -7.977 1.739 1.00 1.22 C ATOM 703 CE LYS A 47 -9.380 -7.523 1.114 1.00 2.16 C ATOM 704 NZ LYS A 47 -9.584 -8.042 -0.256 1.00 3.25 N ATOM 0 H LYS A 47 -5.375 -4.949 -0.675 1.00 0.52 H new ATOM 0 HA LYS A 47 -4.466 -7.760 -0.185 1.00 0.58 H new ATOM 0 HB2 LYS A 47 -7.238 -6.786 -0.826 1.00 0.77 H new ATOM 0 HB3 LYS A 47 -6.714 -8.436 -0.553 1.00 0.77 H new ATOM 0 HG2 LYS A 47 -5.931 -7.595 1.789 1.00 0.86 H new ATOM 0 HG3 LYS A 47 -6.904 -6.175 1.461 1.00 0.86 H new ATOM 0 HD2 LYS A 47 -7.923 -9.042 1.547 1.00 1.22 H new ATOM 0 HD3 LYS A 47 -8.115 -7.853 2.820 1.00 1.22 H new ATOM 0 HE2 LYS A 47 -10.204 -7.853 1.747 1.00 2.16 H new ATOM 0 HE3 LYS A 47 -9.411 -6.434 1.092 1.00 2.16 H new ATOM 0 HZ1 LYS A 47 -10.579 -8.321 -0.377 1.00 3.25 H new ATOM 0 HZ2 LYS A 47 -9.345 -7.302 -0.947 1.00 3.25 H new ATOM 0 HZ3 LYS A 47 -8.972 -8.869 -0.409 1.00 3.25 H new ATOM 718 N TYR A 48 -3.954 -7.797 -2.660 1.00 0.67 N ATOM 719 CA TYR A 48 -3.552 -7.784 -4.058 1.00 0.65 C ATOM 720 C TYR A 48 -3.341 -9.207 -4.559 1.00 0.66 C ATOM 721 O TYR A 48 -3.172 -10.118 -3.750 1.00 0.80 O ATOM 722 CB TYR A 48 -2.284 -6.938 -4.219 1.00 0.83 C ATOM 723 CG TYR A 48 -1.026 -7.530 -3.608 1.00 0.95 C ATOM 724 CD1 TYR A 48 -0.753 -7.370 -2.238 1.00 1.71 C ATOM 725 CD2 TYR A 48 -0.092 -8.186 -4.431 1.00 1.82 C ATOM 726 CE1 TYR A 48 0.422 -7.908 -1.685 1.00 1.90 C ATOM 727 CE2 TYR A 48 1.114 -8.660 -3.888 1.00 2.02 C ATOM 728 CZ TYR A 48 1.352 -8.556 -2.511 1.00 1.51 C ATOM 729 OH TYR A 48 2.486 -9.091 -1.977 1.00 1.81 O ATOM 0 H TYR A 48 -3.456 -8.488 -2.098 1.00 0.67 H new ATOM 0 HA TYR A 48 -4.341 -7.336 -4.662 1.00 0.65 H new ATOM 0 HB2 TYR A 48 -2.109 -6.774 -5.282 1.00 0.83 H new ATOM 0 HB3 TYR A 48 -2.460 -5.960 -3.771 1.00 0.83 H new ATOM 0 HD1 TYR A 48 -1.448 -6.833 -1.609 1.00 1.71 H new ATOM 0 HD2 TYR A 48 -0.302 -8.325 -5.481 1.00 1.82 H new ATOM 0 HE1 TYR A 48 0.609 -7.822 -0.625 1.00 1.90 H new ATOM 0 HE2 TYR A 48 1.858 -9.105 -4.532 1.00 2.02 H new ATOM 0 HH TYR A 48 2.764 -9.866 -2.509 1.00 1.81 H new ATOM 739 N ASP A 49 -3.328 -9.381 -5.882 1.00 0.67 N ATOM 740 CA ASP A 49 -3.075 -10.666 -6.524 1.00 0.70 C ATOM 741 C ASP A 49 -1.574 -10.750 -6.830 1.00 0.70 C ATOM 742 O ASP A 49 -1.105 -10.003 -7.697 1.00 0.75 O ATOM 743 CB ASP A 49 -3.909 -10.787 -7.809 1.00 0.83 C ATOM 744 CG ASP A 49 -5.405 -10.983 -7.571 1.00 2.21 C ATOM 745 OD1 ASP A 49 -5.815 -11.056 -6.392 1.00 3.47 O ATOM 746 OD2 ASP A 49 -6.122 -11.049 -8.592 1.00 3.24 O ATOM 0 H ASP A 49 -3.495 -8.622 -6.543 1.00 0.67 H new ATOM 0 HA ASP A 49 -3.363 -11.488 -5.869 1.00 0.70 H new ATOM 0 HB2 ASP A 49 -3.763 -9.889 -8.409 1.00 0.83 H new ATOM 0 HB3 ASP A 49 -3.533 -11.626 -8.395 1.00 0.83 H new ATOM 751 N PRO A 50 -0.803 -11.609 -6.131 1.00 0.81 N ATOM 752 CA PRO A 50 0.657 -11.606 -6.148 1.00 0.91 C ATOM 753 C PRO A 50 1.210 -12.271 -7.414 1.00 0.95 C ATOM 754 O PRO A 50 1.943 -13.255 -7.355 1.00 1.55 O ATOM 755 CB PRO A 50 1.065 -12.343 -4.867 1.00 1.12 C ATOM 756 CG PRO A 50 -0.041 -13.387 -4.737 1.00 1.14 C ATOM 757 CD PRO A 50 -1.279 -12.606 -5.181 1.00 0.95 C ATOM 0 HA PRO A 50 1.068 -10.597 -6.172 1.00 0.91 H new ATOM 0 HB2 PRO A 50 2.050 -12.801 -4.956 1.00 1.12 H new ATOM 0 HB3 PRO A 50 1.100 -11.676 -4.006 1.00 1.12 H new ATOM 0 HG2 PRO A 50 0.142 -14.254 -5.371 1.00 1.14 H new ATOM 0 HG3 PRO A 50 -0.136 -13.754 -3.715 1.00 1.14 H new ATOM 0 HD2 PRO A 50 -2.013 -13.267 -5.643 1.00 0.95 H new ATOM 0 HD3 PRO A 50 -1.768 -12.132 -4.330 1.00 0.95 H new ATOM 765 N GLU A 51 0.857 -11.698 -8.561 1.00 1.36 N ATOM 766 CA GLU A 51 1.156 -12.183 -9.897 1.00 1.31 C ATOM 767 C GLU A 51 0.744 -11.105 -10.900 1.00 1.14 C ATOM 768 O GLU A 51 1.513 -10.756 -11.793 1.00 1.63 O ATOM 769 CB GLU A 51 0.475 -13.538 -10.160 1.00 1.38 C ATOM 770 CG GLU A 51 -1.032 -13.578 -9.862 1.00 2.08 C ATOM 771 CD GLU A 51 -1.569 -14.992 -10.042 1.00 2.08 C ATOM 772 OE1 GLU A 51 -1.627 -15.424 -11.213 1.00 2.72 O ATOM 773 OE2 GLU A 51 -1.891 -15.616 -9.008 1.00 2.94 O ATOM 0 H GLU A 51 0.322 -10.830 -8.579 1.00 1.36 H new ATOM 0 HA GLU A 51 2.225 -12.368 -10.005 1.00 1.31 H new ATOM 0 HB2 GLU A 51 0.631 -13.809 -11.204 1.00 1.38 H new ATOM 0 HB3 GLU A 51 0.969 -14.299 -9.556 1.00 1.38 H new ATOM 0 HG2 GLU A 51 -1.217 -13.238 -8.843 1.00 2.08 H new ATOM 0 HG3 GLU A 51 -1.559 -12.894 -10.527 1.00 2.08 H new ATOM 780 N ILE A 52 -0.447 -10.527 -10.711 1.00 0.82 N ATOM 781 CA ILE A 52 -0.878 -9.353 -11.458 1.00 0.96 C ATOM 782 C ILE A 52 -0.005 -8.163 -11.057 1.00 0.96 C ATOM 783 O ILE A 52 0.339 -7.337 -11.902 1.00 1.22 O ATOM 784 CB ILE A 52 -2.371 -9.060 -11.226 1.00 1.08 C ATOM 785 CG1 ILE A 52 -3.203 -10.330 -11.465 1.00 1.99 C ATOM 786 CG2 ILE A 52 -2.836 -7.927 -12.156 1.00 2.05 C ATOM 787 CD1 ILE A 52 -4.717 -10.098 -11.440 1.00 3.26 C ATOM 0 H ILE A 52 -1.134 -10.863 -10.036 1.00 0.82 H new ATOM 0 HA ILE A 52 -0.759 -9.540 -12.525 1.00 0.96 H new ATOM 0 HB ILE A 52 -2.514 -8.743 -10.193 1.00 1.08 H new ATOM 0 HG12 ILE A 52 -2.927 -10.756 -12.430 1.00 1.99 H new ATOM 0 HG13 ILE A 52 -2.946 -11.068 -10.705 1.00 1.99 H new ATOM 0 HG21 ILE A 52 -3.894 -7.727 -11.985 1.00 2.05 H new ATOM 0 HG22 ILE A 52 -2.258 -7.026 -11.949 1.00 2.05 H new ATOM 0 HG23 ILE A 52 -2.686 -8.224 -13.194 1.00 2.05 H new ATOM 0 HD11 ILE A 52 -5.233 -11.042 -11.617 1.00 3.26 H new ATOM 0 HD12 ILE A 52 -5.008 -9.702 -10.467 1.00 3.26 H new ATOM 0 HD13 ILE A 52 -4.989 -9.385 -12.218 1.00 3.26 H new ATOM 799 N ILE A 53 0.345 -8.066 -9.771 1.00 0.79 N ATOM 800 CA ILE A 53 1.256 -7.062 -9.265 1.00 0.83 C ATOM 801 C ILE A 53 2.013 -7.703 -8.105 1.00 0.84 C ATOM 802 O ILE A 53 1.420 -8.438 -7.319 1.00 1.18 O ATOM 803 CB ILE A 53 0.461 -5.802 -8.875 1.00 1.03 C ATOM 804 CG1 ILE A 53 1.389 -4.592 -8.775 1.00 1.41 C ATOM 805 CG2 ILE A 53 -0.298 -5.968 -7.551 1.00 1.04 C ATOM 806 CD1 ILE A 53 0.648 -3.264 -8.921 1.00 1.09 C ATOM 0 H ILE A 53 -0.007 -8.696 -9.051 1.00 0.79 H new ATOM 0 HA ILE A 53 1.983 -6.731 -10.007 1.00 0.83 H new ATOM 0 HB ILE A 53 -0.275 -5.645 -9.664 1.00 1.03 H new ATOM 0 HG12 ILE A 53 1.903 -4.612 -7.814 1.00 1.41 H new ATOM 0 HG13 ILE A 53 2.155 -4.662 -9.547 1.00 1.41 H new ATOM 0 HG21 ILE A 53 -0.841 -5.050 -7.325 1.00 1.04 H new ATOM 0 HG22 ILE A 53 -1.003 -6.795 -7.637 1.00 1.04 H new ATOM 0 HG23 ILE A 53 0.410 -6.177 -6.749 1.00 1.04 H new ATOM 0 HD11 ILE A 53 1.358 -2.441 -8.842 1.00 1.09 H new ATOM 0 HD12 ILE A 53 0.156 -3.227 -9.893 1.00 1.09 H new ATOM 0 HD13 ILE A 53 -0.100 -3.176 -8.133 1.00 1.09 H new ATOM 818 N GLY A 54 3.320 -7.489 -8.025 1.00 0.93 N ATOM 819 CA GLY A 54 4.152 -8.038 -6.971 1.00 0.92 C ATOM 820 C GLY A 54 4.252 -7.070 -5.791 1.00 0.85 C ATOM 821 O GLY A 54 3.958 -5.878 -5.923 1.00 0.91 O ATOM 0 H GLY A 54 3.834 -6.923 -8.699 1.00 0.93 H new ATOM 0 HA2 GLY A 54 3.737 -8.988 -6.633 1.00 0.92 H new ATOM 0 HA3 GLY A 54 5.148 -8.246 -7.361 1.00 0.92 H new ATOM 825 N PRO A 55 4.733 -7.547 -4.631 1.00 0.85 N ATOM 826 CA PRO A 55 5.033 -6.683 -3.503 1.00 0.96 C ATOM 827 C PRO A 55 6.003 -5.584 -3.938 1.00 0.98 C ATOM 828 O PRO A 55 5.766 -4.412 -3.671 1.00 1.07 O ATOM 829 CB PRO A 55 5.613 -7.591 -2.413 1.00 1.13 C ATOM 830 CG PRO A 55 6.099 -8.829 -3.168 1.00 1.05 C ATOM 831 CD PRO A 55 5.155 -8.913 -4.368 1.00 0.91 C ATOM 0 HA PRO A 55 4.151 -6.170 -3.120 1.00 0.96 H new ATOM 0 HB2 PRO A 55 6.431 -7.103 -1.883 1.00 1.13 H new ATOM 0 HB3 PRO A 55 4.860 -7.850 -1.669 1.00 1.13 H new ATOM 0 HG2 PRO A 55 7.138 -8.725 -3.482 1.00 1.05 H new ATOM 0 HG3 PRO A 55 6.041 -9.724 -2.549 1.00 1.05 H new ATOM 0 HD2 PRO A 55 5.660 -9.341 -5.234 1.00 0.91 H new ATOM 0 HD3 PRO A 55 4.300 -9.552 -4.150 1.00 0.91 H new ATOM 839 N ARG A 56 7.074 -5.953 -4.646 1.00 0.96 N ATOM 840 CA ARG A 56 8.048 -5.005 -5.180 1.00 1.08 C ATOM 841 C ARG A 56 7.379 -3.881 -5.976 1.00 0.99 C ATOM 842 O ARG A 56 7.822 -2.741 -5.894 1.00 1.09 O ATOM 843 CB ARG A 56 9.092 -5.736 -6.040 1.00 1.30 C ATOM 844 CG ARG A 56 10.281 -6.264 -5.222 1.00 1.89 C ATOM 845 CD ARG A 56 9.888 -7.308 -4.167 1.00 3.17 C ATOM 846 NE ARG A 56 11.057 -7.767 -3.397 1.00 4.60 N ATOM 847 CZ ARG A 56 11.952 -8.683 -3.800 1.00 6.00 C ATOM 848 NH1 ARG A 56 11.841 -9.239 -5.011 1.00 6.37 N ATOM 849 NH2 ARG A 56 12.957 -9.037 -2.990 1.00 7.54 N ATOM 0 H ARG A 56 7.289 -6.926 -4.865 1.00 0.96 H new ATOM 0 HA ARG A 56 8.553 -4.541 -4.332 1.00 1.08 H new ATOM 0 HB2 ARG A 56 8.612 -6.570 -6.553 1.00 1.30 H new ATOM 0 HB3 ARG A 56 9.460 -5.057 -6.809 1.00 1.30 H new ATOM 0 HG2 ARG A 56 11.011 -6.704 -5.901 1.00 1.89 H new ATOM 0 HG3 ARG A 56 10.771 -5.426 -4.726 1.00 1.89 H new ATOM 0 HD2 ARG A 56 9.150 -6.881 -3.489 1.00 3.17 H new ATOM 0 HD3 ARG A 56 9.416 -8.160 -4.656 1.00 3.17 H new ATOM 0 HE ARG A 56 11.199 -7.352 -2.476 1.00 4.60 H new ATOM 0 HH11 ARG A 56 11.076 -8.967 -5.629 1.00 6.37 H new ATOM 0 HH12 ARG A 56 12.521 -9.935 -5.317 1.00 6.37 H new ATOM 0 HH21 ARG A 56 13.043 -8.611 -2.067 1.00 7.54 H new ATOM 0 HH22 ARG A 56 13.637 -9.733 -3.296 1.00 7.54 H new ATOM 863 N ASP A 57 6.325 -4.183 -6.735 1.00 0.83 N ATOM 864 CA ASP A 57 5.643 -3.182 -7.544 1.00 0.76 C ATOM 865 C ASP A 57 4.885 -2.223 -6.627 1.00 0.62 C ATOM 866 O ASP A 57 4.988 -1.007 -6.761 1.00 0.59 O ATOM 867 CB ASP A 57 4.687 -3.858 -8.527 1.00 0.79 C ATOM 868 CG ASP A 57 5.376 -4.802 -9.499 1.00 1.32 C ATOM 869 OD1 ASP A 57 6.324 -4.348 -10.170 1.00 2.38 O ATOM 870 OD2 ASP A 57 4.932 -5.971 -9.539 1.00 1.92 O ATOM 0 H ASP A 57 5.926 -5.119 -6.804 1.00 0.83 H new ATOM 0 HA ASP A 57 6.377 -2.618 -8.120 1.00 0.76 H new ATOM 0 HB2 ASP A 57 3.936 -4.414 -7.966 1.00 0.79 H new ATOM 0 HB3 ASP A 57 4.159 -3.090 -9.093 1.00 0.79 H new ATOM 875 N ILE A 58 4.132 -2.768 -5.668 1.00 0.61 N ATOM 876 CA ILE A 58 3.443 -1.973 -4.653 1.00 0.56 C ATOM 877 C ILE A 58 4.432 -1.043 -3.945 1.00 0.55 C ATOM 878 O ILE A 58 4.210 0.168 -3.862 1.00 0.47 O ATOM 879 CB ILE A 58 2.719 -2.919 -3.678 1.00 0.68 C ATOM 880 CG1 ILE A 58 1.445 -3.435 -4.347 1.00 0.59 C ATOM 881 CG2 ILE A 58 2.389 -2.263 -2.333 1.00 0.91 C ATOM 882 CD1 ILE A 58 1.050 -4.806 -3.803 1.00 0.67 C ATOM 0 H ILE A 58 3.984 -3.773 -5.575 1.00 0.61 H new ATOM 0 HA ILE A 58 2.693 -1.334 -5.119 1.00 0.56 H new ATOM 0 HB ILE A 58 3.395 -3.743 -3.452 1.00 0.68 H new ATOM 0 HG12 ILE A 58 0.632 -2.728 -4.181 1.00 0.59 H new ATOM 0 HG13 ILE A 58 1.597 -3.499 -5.424 1.00 0.59 H new ATOM 0 HG21 ILE A 58 1.880 -2.983 -1.692 1.00 0.91 H new ATOM 0 HG22 ILE A 58 3.311 -1.937 -1.851 1.00 0.91 H new ATOM 0 HG23 ILE A 58 1.741 -1.402 -2.497 1.00 0.91 H new ATOM 0 HD11 ILE A 58 0.140 -5.146 -4.298 1.00 0.67 H new ATOM 0 HD12 ILE A 58 1.854 -5.518 -3.992 1.00 0.67 H new ATOM 0 HD13 ILE A 58 0.874 -4.735 -2.730 1.00 0.67 H new ATOM 894 N ILE A 59 5.530 -1.612 -3.448 1.00 0.66 N ATOM 895 CA ILE A 59 6.626 -0.857 -2.865 1.00 0.79 C ATOM 896 C ILE A 59 7.073 0.238 -3.839 1.00 0.75 C ATOM 897 O ILE A 59 7.116 1.407 -3.469 1.00 0.74 O ATOM 898 CB ILE A 59 7.762 -1.818 -2.462 1.00 1.03 C ATOM 899 CG1 ILE A 59 7.379 -2.793 -1.331 1.00 1.24 C ATOM 900 CG2 ILE A 59 9.013 -1.034 -2.069 1.00 1.18 C ATOM 901 CD1 ILE A 59 6.810 -2.127 -0.080 1.00 1.86 C ATOM 0 H ILE A 59 5.680 -2.621 -3.441 1.00 0.66 H new ATOM 0 HA ILE A 59 6.304 -0.354 -1.954 1.00 0.79 H new ATOM 0 HB ILE A 59 7.963 -2.427 -3.343 1.00 1.03 H new ATOM 0 HG12 ILE A 59 6.645 -3.502 -1.714 1.00 1.24 H new ATOM 0 HG13 ILE A 59 8.262 -3.368 -1.051 1.00 1.24 H new ATOM 0 HG21 ILE A 59 9.804 -1.729 -1.788 1.00 1.18 H new ATOM 0 HG22 ILE A 59 9.344 -0.430 -2.914 1.00 1.18 H new ATOM 0 HG23 ILE A 59 8.784 -0.383 -1.225 1.00 1.18 H new ATOM 0 HD11 ILE A 59 6.569 -2.890 0.661 1.00 1.86 H new ATOM 0 HD12 ILE A 59 7.548 -1.439 0.334 1.00 1.86 H new ATOM 0 HD13 ILE A 59 5.906 -1.576 -0.340 1.00 1.86 H new ATOM 913 N HIS A 60 7.350 -0.118 -5.093 1.00 0.78 N ATOM 914 CA HIS A 60 7.774 0.844 -6.095 1.00 0.84 C ATOM 915 C HIS A 60 6.760 1.981 -6.249 1.00 0.71 C ATOM 916 O HIS A 60 7.156 3.136 -6.392 1.00 0.74 O ATOM 917 CB HIS A 60 8.043 0.144 -7.431 1.00 0.97 C ATOM 918 CG HIS A 60 8.775 1.031 -8.401 1.00 2.26 C ATOM 919 ND1 HIS A 60 8.209 1.966 -9.237 1.00 3.83 N ATOM 920 CD2 HIS A 60 10.133 1.117 -8.531 1.00 2.94 C ATOM 921 CE1 HIS A 60 9.214 2.593 -9.872 1.00 4.98 C ATOM 922 NE2 HIS A 60 10.404 2.108 -9.480 1.00 4.50 N ATOM 0 H HIS A 60 7.286 -1.077 -5.436 1.00 0.78 H new ATOM 0 HA HIS A 60 8.707 1.295 -5.756 1.00 0.84 H new ATOM 0 HB2 HIS A 60 8.628 -0.759 -7.255 1.00 0.97 H new ATOM 0 HB3 HIS A 60 7.097 -0.170 -7.872 1.00 0.97 H new ATOM 0 HD2 HIS A 60 10.864 0.527 -7.998 1.00 2.94 H new ATOM 0 HE1 HIS A 60 9.083 3.381 -10.599 1.00 4.98 H new ATOM 0 HE2 HIS A 60 11.323 2.404 -9.809 1.00 4.50 H new ATOM 930 N THR A 61 5.455 1.686 -6.218 1.00 0.61 N ATOM 931 CA THR A 61 4.434 2.726 -6.257 1.00 0.52 C ATOM 932 C THR A 61 4.610 3.647 -5.044 1.00 0.45 C ATOM 933 O THR A 61 4.787 4.854 -5.200 1.00 0.51 O ATOM 934 CB THR A 61 3.028 2.103 -6.349 1.00 0.54 C ATOM 935 OG1 THR A 61 2.890 1.451 -7.595 1.00 0.87 O ATOM 936 CG2 THR A 61 1.926 3.159 -6.236 1.00 0.86 C ATOM 0 H THR A 61 5.087 0.736 -6.166 1.00 0.61 H new ATOM 0 HA THR A 61 4.549 3.337 -7.153 1.00 0.52 H new ATOM 0 HB THR A 61 2.923 1.402 -5.521 1.00 0.54 H new ATOM 0 HG1 THR A 61 1.968 1.137 -7.700 1.00 0.87 H new ATOM 0 HG21 THR A 61 0.951 2.676 -6.306 1.00 0.86 H new ATOM 0 HG22 THR A 61 2.010 3.671 -5.277 1.00 0.86 H new ATOM 0 HG23 THR A 61 2.031 3.883 -7.044 1.00 0.86 H new ATOM 944 N ILE A 62 4.579 3.077 -3.840 1.00 0.42 N ATOM 945 CA ILE A 62 4.750 3.794 -2.577 1.00 0.46 C ATOM 946 C ILE A 62 5.968 4.738 -2.628 1.00 0.50 C ATOM 947 O ILE A 62 5.841 5.939 -2.361 1.00 0.52 O ATOM 948 CB ILE A 62 4.809 2.731 -1.461 1.00 0.61 C ATOM 949 CG1 ILE A 62 3.382 2.235 -1.168 1.00 0.70 C ATOM 950 CG2 ILE A 62 5.476 3.199 -0.163 1.00 0.80 C ATOM 951 CD1 ILE A 62 3.366 0.906 -0.408 1.00 1.56 C ATOM 0 H ILE A 62 4.430 2.076 -3.713 1.00 0.42 H new ATOM 0 HA ILE A 62 3.913 4.462 -2.373 1.00 0.46 H new ATOM 0 HB ILE A 62 5.443 1.927 -1.836 1.00 0.61 H new ATOM 0 HG12 ILE A 62 2.852 2.989 -0.586 1.00 0.70 H new ATOM 0 HG13 ILE A 62 2.841 2.119 -2.107 1.00 0.70 H new ATOM 0 HG21 ILE A 62 5.471 2.385 0.562 1.00 0.80 H new ATOM 0 HG22 ILE A 62 6.504 3.496 -0.369 1.00 0.80 H new ATOM 0 HG23 ILE A 62 4.927 4.049 0.242 1.00 0.80 H new ATOM 0 HD11 ILE A 62 2.335 0.602 -0.228 1.00 1.56 H new ATOM 0 HD12 ILE A 62 3.871 0.142 -1.000 1.00 1.56 H new ATOM 0 HD13 ILE A 62 3.881 1.026 0.545 1.00 1.56 H new ATOM 963 N GLU A 63 7.130 4.192 -2.997 1.00 0.59 N ATOM 964 CA GLU A 63 8.376 4.928 -3.142 1.00 0.75 C ATOM 965 C GLU A 63 8.220 6.038 -4.180 1.00 0.71 C ATOM 966 O GLU A 63 8.457 7.209 -3.888 1.00 0.77 O ATOM 967 CB GLU A 63 9.490 3.948 -3.535 1.00 0.95 C ATOM 968 CG GLU A 63 9.814 2.976 -2.387 1.00 0.88 C ATOM 969 CD GLU A 63 10.802 1.890 -2.800 1.00 0.99 C ATOM 970 OE1 GLU A 63 10.909 1.635 -4.019 1.00 2.22 O ATOM 971 OE2 GLU A 63 11.421 1.316 -1.878 1.00 1.62 O ATOM 0 H GLU A 63 7.226 3.199 -3.207 1.00 0.59 H new ATOM 0 HA GLU A 63 8.640 5.401 -2.196 1.00 0.75 H new ATOM 0 HB2 GLU A 63 9.186 3.384 -4.417 1.00 0.95 H new ATOM 0 HB3 GLU A 63 10.387 4.504 -3.807 1.00 0.95 H new ATOM 0 HG2 GLU A 63 10.225 3.536 -1.547 1.00 0.88 H new ATOM 0 HG3 GLU A 63 8.892 2.510 -2.039 1.00 0.88 H new ATOM 978 N SER A 64 7.815 5.667 -5.396 1.00 0.68 N ATOM 979 CA SER A 64 7.697 6.587 -6.517 1.00 0.72 C ATOM 980 C SER A 64 6.722 7.728 -6.217 1.00 0.68 C ATOM 981 O SER A 64 6.868 8.807 -6.786 1.00 0.88 O ATOM 982 CB SER A 64 7.280 5.828 -7.782 1.00 0.76 C ATOM 983 OG SER A 64 7.336 6.674 -8.916 1.00 1.47 O ATOM 0 H SER A 64 7.558 4.707 -5.627 1.00 0.68 H new ATOM 0 HA SER A 64 8.675 7.038 -6.684 1.00 0.72 H new ATOM 0 HB2 SER A 64 7.936 4.970 -7.930 1.00 0.76 H new ATOM 0 HB3 SER A 64 6.269 5.439 -7.662 1.00 0.76 H new ATOM 0 HG SER A 64 7.068 6.171 -9.713 1.00 1.47 H new ATOM 989 N LEU A 65 5.703 7.490 -5.385 1.00 0.57 N ATOM 990 CA LEU A 65 4.769 8.528 -4.987 1.00 0.67 C ATOM 991 C LEU A 65 5.437 9.515 -4.030 1.00 0.79 C ATOM 992 O LEU A 65 5.640 10.674 -4.391 1.00 1.16 O ATOM 993 CB LEU A 65 3.526 7.906 -4.344 1.00 0.78 C ATOM 994 CG LEU A 65 2.627 7.175 -5.347 1.00 0.98 C ATOM 995 CD1 LEU A 65 1.676 6.285 -4.548 1.00 2.32 C ATOM 996 CD2 LEU A 65 1.814 8.131 -6.228 1.00 1.42 C ATOM 0 H LEU A 65 5.510 6.576 -4.975 1.00 0.57 H new ATOM 0 HA LEU A 65 4.459 9.076 -5.877 1.00 0.67 H new ATOM 0 HB2 LEU A 65 3.838 7.206 -3.569 1.00 0.78 H new ATOM 0 HB3 LEU A 65 2.949 8.689 -3.853 1.00 0.78 H new ATOM 0 HG LEU A 65 3.259 6.596 -6.020 1.00 0.98 H new ATOM 0 HD11 LEU A 65 1.019 5.748 -5.232 1.00 2.32 H new ATOM 0 HD12 LEU A 65 2.253 5.569 -3.962 1.00 2.32 H new ATOM 0 HD13 LEU A 65 1.076 6.902 -3.879 1.00 2.32 H new ATOM 0 HD21 LEU A 65 1.197 7.555 -6.917 1.00 1.42 H new ATOM 0 HD22 LEU A 65 1.174 8.750 -5.599 1.00 1.42 H new ATOM 0 HD23 LEU A 65 2.492 8.769 -6.795 1.00 1.42 H new ATOM 1008 N GLY A 66 5.641 9.116 -2.770 1.00 0.74 N ATOM 1009 CA GLY A 66 6.372 9.954 -1.826 1.00 0.84 C ATOM 1010 C GLY A 66 6.903 9.256 -0.573 1.00 0.68 C ATOM 1011 O GLY A 66 7.307 9.961 0.350 1.00 0.78 O ATOM 0 H GLY A 66 5.313 8.229 -2.388 1.00 0.74 H new ATOM 0 HA2 GLY A 66 7.215 10.405 -2.350 1.00 0.84 H new ATOM 0 HA3 GLY A 66 5.718 10.768 -1.513 1.00 0.84 H new ATOM 1015 N PHE A 67 6.809 7.925 -0.452 1.00 0.63 N ATOM 1016 CA PHE A 67 6.611 7.314 0.861 1.00 0.54 C ATOM 1017 C PHE A 67 7.589 6.174 1.118 1.00 0.60 C ATOM 1018 O PHE A 67 8.108 5.576 0.181 1.00 0.94 O ATOM 1019 CB PHE A 67 5.163 6.816 0.928 1.00 0.57 C ATOM 1020 CG PHE A 67 4.143 7.900 0.648 1.00 0.55 C ATOM 1021 CD1 PHE A 67 4.104 9.035 1.476 1.00 1.52 C ATOM 1022 CD2 PHE A 67 3.369 7.866 -0.527 1.00 1.66 C ATOM 1023 CE1 PHE A 67 3.297 10.130 1.134 1.00 1.56 C ATOM 1024 CE2 PHE A 67 2.532 8.949 -0.850 1.00 1.62 C ATOM 1025 CZ PHE A 67 2.490 10.077 -0.013 1.00 0.53 C ATOM 0 H PHE A 67 6.866 7.267 -1.230 1.00 0.63 H new ATOM 0 HA PHE A 67 6.801 8.055 1.637 1.00 0.54 H new ATOM 0 HB2 PHE A 67 5.031 6.008 0.209 1.00 0.57 H new ATOM 0 HB3 PHE A 67 4.976 6.397 1.917 1.00 0.57 H new ATOM 0 HD1 PHE A 67 4.697 9.064 2.378 1.00 1.52 H new ATOM 0 HD2 PHE A 67 3.418 7.008 -1.181 1.00 1.66 H new ATOM 0 HE1 PHE A 67 3.297 11.015 1.754 1.00 1.56 H new ATOM 0 HE2 PHE A 67 1.922 8.914 -1.741 1.00 1.62 H new ATOM 0 HZ PHE A 67 1.837 10.903 -0.252 1.00 0.53 H new ATOM 1035 N GLU A 68 7.804 5.853 2.394 1.00 0.45 N ATOM 1036 CA GLU A 68 8.549 4.670 2.803 1.00 0.54 C ATOM 1037 C GLU A 68 7.541 3.540 3.008 1.00 0.58 C ATOM 1038 O GLU A 68 6.350 3.813 3.164 1.00 0.90 O ATOM 1039 CB GLU A 68 9.256 4.905 4.144 1.00 0.78 C ATOM 1040 CG GLU A 68 9.832 6.307 4.404 1.00 1.87 C ATOM 1041 CD GLU A 68 10.238 6.445 5.866 1.00 2.27 C ATOM 1042 OE1 GLU A 68 10.346 5.395 6.544 1.00 2.75 O ATOM 1043 OE2 GLU A 68 10.329 7.591 6.364 1.00 3.08 O ATOM 0 H GLU A 68 7.462 6.413 3.175 1.00 0.45 H new ATOM 0 HA GLU A 68 9.292 4.434 2.042 1.00 0.54 H new ATOM 0 HB2 GLU A 68 8.549 4.678 4.942 1.00 0.78 H new ATOM 0 HB3 GLU A 68 10.071 4.186 4.226 1.00 0.78 H new ATOM 0 HG2 GLU A 68 10.695 6.479 3.761 1.00 1.87 H new ATOM 0 HG3 GLU A 68 9.091 7.065 4.151 1.00 1.87 H new ATOM 1050 N ALA A 69 8.014 2.298 3.138 1.00 0.54 N ATOM 1051 CA ALA A 69 7.197 1.213 3.655 1.00 0.59 C ATOM 1052 C ALA A 69 8.060 0.116 4.264 1.00 0.60 C ATOM 1053 O ALA A 69 9.282 0.124 4.126 1.00 0.80 O ATOM 1054 CB ALA A 69 6.276 0.659 2.564 1.00 0.88 C ATOM 0 H ALA A 69 8.965 2.024 2.889 1.00 0.54 H new ATOM 0 HA ALA A 69 6.569 1.613 4.451 1.00 0.59 H new ATOM 0 HB1 ALA A 69 5.674 -0.152 2.973 1.00 0.88 H new ATOM 0 HB2 ALA A 69 5.620 1.452 2.204 1.00 0.88 H new ATOM 0 HB3 ALA A 69 6.878 0.282 1.737 1.00 0.88 H new ATOM 1060 N SER A 70 7.418 -0.819 4.966 1.00 0.63 N ATOM 1061 CA SER A 70 8.044 -1.993 5.553 1.00 0.78 C ATOM 1062 C SER A 70 6.977 -3.079 5.693 1.00 0.85 C ATOM 1063 O SER A 70 5.924 -2.831 6.278 1.00 0.93 O ATOM 1064 CB SER A 70 8.646 -1.636 6.917 1.00 0.93 C ATOM 1065 OG SER A 70 9.692 -0.693 6.776 1.00 1.65 O ATOM 0 H SER A 70 6.415 -0.773 5.145 1.00 0.63 H new ATOM 0 HA SER A 70 8.853 -2.356 4.918 1.00 0.78 H new ATOM 0 HB2 SER A 70 7.870 -1.230 7.566 1.00 0.93 H new ATOM 0 HB3 SER A 70 9.026 -2.537 7.399 1.00 0.93 H new ATOM 0 HG SER A 70 9.764 -0.422 5.837 1.00 1.65 H new ATOM 1071 N LEU A 71 7.224 -4.271 5.144 1.00 1.00 N ATOM 1072 CA LEU A 71 6.256 -5.362 5.118 1.00 1.27 C ATOM 1073 C LEU A 71 6.103 -6.021 6.490 1.00 1.54 C ATOM 1074 O LEU A 71 6.494 -7.168 6.684 1.00 2.58 O ATOM 1075 CB LEU A 71 6.586 -6.358 3.992 1.00 1.62 C ATOM 1076 CG LEU A 71 8.029 -6.898 4.019 1.00 1.80 C ATOM 1077 CD1 LEU A 71 8.028 -8.415 3.791 1.00 2.25 C ATOM 1078 CD2 LEU A 71 8.888 -6.237 2.931 1.00 2.84 C ATOM 0 H LEU A 71 8.113 -4.505 4.701 1.00 1.00 H new ATOM 0 HA LEU A 71 5.275 -4.946 4.887 1.00 1.27 H new ATOM 0 HB2 LEU A 71 5.896 -7.199 4.054 1.00 1.62 H new ATOM 0 HB3 LEU A 71 6.411 -5.872 3.032 1.00 1.62 H new ATOM 0 HG LEU A 71 8.451 -6.665 4.997 1.00 1.80 H new ATOM 0 HD11 LEU A 71 9.052 -8.787 3.812 1.00 2.25 H new ATOM 0 HD12 LEU A 71 7.450 -8.901 4.577 1.00 2.25 H new ATOM 0 HD13 LEU A 71 7.581 -8.637 2.822 1.00 2.25 H new ATOM 0 HD21 LEU A 71 9.901 -6.637 2.974 1.00 2.84 H new ATOM 0 HD22 LEU A 71 8.457 -6.444 1.951 1.00 2.84 H new ATOM 0 HD23 LEU A 71 8.916 -5.160 3.094 1.00 2.84 H new