USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 653 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 5 CYS SG : rot 107:sc= 1.93! USER MOD Set 1.2: A 10 CYS SG : rot 165:sc= 0.0562! USER MOD Set 1.3: A 12 ASN : amide:sc= -0.71 K(o=-6.9,f=-8.1) USER MOD Set 1.4: A 54 CYS SG : rot -88:sc= -4.6! USER MOD Set 1.5: A 57 HIS : no HD1:sc= -3.54! C(o=-6.9!,f=-20!) USER MOD Single : A 3 GLN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 4 SER OG : rot 59:sc= 0.723 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0.343 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= 1.27 (180deg=0.402) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -1.95 (180deg=-2.51!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00644 USER MOD Single : A 23 HIS : no HE2:sc= -10.4! C(o=-10!,f=-8.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00296 USER MOD Single : A 33 CYS SG : rot 31:sc= -3.14! USER MOD Single : A 34 LYS NZ :NH3+ 151:sc= -0.331 (180deg=-1.02!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 1.71 K(o=1.7,f=-9.3!) USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.129 (180deg=-0.584) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.0448 USER MOD Single : A 49 LYS NZ :NH3+ -107:sc= 1.21 (180deg=-0.112) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -13:sc= -4.97! USER MOD Single : A 52 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 55 SER OG : rot 89:sc= -2.82! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00884 USER MOD Single : A 62 SER OG : rot -141:sc= -2.46! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -131:sc= -3.57! USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 164:sc= -0.0992 (180deg=-0.446) USER MOD Single : A 75 ASN : amide:sc= -0.563 K(o=-0.56,f=-0.047) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 -7.947 -4.076 -5.687 1.00 10.00 N ATOM 37 CA GLN A 3 -9.342 -3.803 -5.968 1.00 10.00 C ATOM 38 C GLN A 3 -9.569 -2.300 -6.011 1.00 10.00 C ATOM 39 O GLN A 3 -10.149 -1.790 -6.970 1.00 10.00 O ATOM 40 CB GLN A 3 -10.240 -4.480 -4.918 1.00 10.00 C ATOM 41 CG GLN A 3 -10.180 -6.004 -4.976 1.00 10.00 C ATOM 42 CD GLN A 3 -10.657 -6.696 -3.702 1.00 10.00 C ATOM 43 OE1 GLN A 3 -10.134 -7.744 -3.330 1.00 10.00 O ATOM 44 NE2 GLN A 3 -11.658 -6.138 -3.034 1.00 10.00 N ATOM 0 HA GLN A 3 -9.606 -4.216 -6.942 1.00 10.00 H new ATOM 0 HB2 GLN A 3 -9.941 -4.148 -3.924 1.00 10.00 H new ATOM 0 HB3 GLN A 3 -11.270 -4.156 -5.066 1.00 10.00 H new ATOM 0 HG2 GLN A 3 -10.787 -6.349 -5.813 1.00 10.00 H new ATOM 0 HG3 GLN A 3 -9.154 -6.309 -5.180 1.00 10.00 H new ATOM 0 HE21 GLN A 3 -12.071 -5.267 -3.368 1.00 10.00 H new ATOM 0 HE22 GLN A 3 -12.014 -6.579 -2.186 1.00 10.00 H new ATOM 53 N SER A 4 -9.101 -1.597 -4.975 1.00 10.00 N ATOM 54 CA SER A 4 -9.251 -0.151 -4.912 1.00 10.00 C ATOM 55 C SER A 4 -8.594 0.430 -3.652 1.00 10.00 C ATOM 56 O SER A 4 -8.216 -0.311 -2.733 1.00 10.00 O ATOM 57 CB SER A 4 -10.755 0.148 -4.935 1.00 10.00 C ATOM 58 OG SER A 4 -11.081 1.404 -4.369 1.00 10.00 O ATOM 0 H SER A 4 -8.619 -2.008 -4.176 1.00 10.00 H new ATOM 0 HA SER A 4 -8.751 0.317 -5.760 1.00 10.00 H new ATOM 0 HB2 SER A 4 -11.110 0.118 -5.965 1.00 10.00 H new ATOM 0 HB3 SER A 4 -11.283 -0.636 -4.393 1.00 10.00 H new ATOM 0 HG SER A 4 -10.615 2.114 -4.858 1.00 10.00 H new ATOM 64 N CYS A 5 -8.441 1.760 -3.645 1.00 10.00 N ATOM 65 CA CYS A 5 -7.777 2.465 -2.552 1.00 10.00 C ATOM 66 C CYS A 5 -8.788 2.629 -1.418 1.00 10.00 C ATOM 67 O CYS A 5 -9.997 2.490 -1.591 1.00 10.00 O ATOM 68 CB CYS A 5 -7.296 3.841 -3.040 1.00 10.00 C ATOM 69 SG CYS A 5 -6.742 3.857 -4.758 1.00 10.00 S ATOM 0 H CYS A 5 -8.773 2.370 -4.392 1.00 10.00 H new ATOM 0 HA CYS A 5 -6.910 1.904 -2.203 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -8.107 4.560 -2.923 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.478 4.176 -2.402 1.00 10.00 H new ATOM 0 HG CYS A 5 -7.626 4.464 -5.493 1.00 10.00 H new ATOM 74 N SER A 6 -8.214 2.977 -0.250 1.00 10.00 N ATOM 75 CA SER A 6 -8.935 3.223 0.989 1.00 10.00 C ATOM 76 C SER A 6 -9.650 4.580 0.939 1.00 10.00 C ATOM 77 O SER A 6 -10.284 5.002 1.902 1.00 10.00 O ATOM 78 CB SER A 6 -7.930 3.171 2.157 1.00 10.00 C ATOM 79 OG SER A 6 -8.578 3.051 3.411 1.00 10.00 O ATOM 0 H SER A 6 -7.206 3.095 -0.152 1.00 10.00 H new ATOM 0 HA SER A 6 -9.699 2.459 1.131 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.254 2.327 2.016 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.319 4.074 2.150 1.00 10.00 H new ATOM 0 HG SER A 6 -7.907 3.020 4.124 1.00 10.00 H new ATOM 85 N ALA A 7 -9.488 5.264 -0.192 1.00 10.00 N ATOM 86 CA ALA A 7 -10.103 6.571 -0.445 1.00 10.00 C ATOM 87 C ALA A 7 -11.631 6.576 -0.316 1.00 10.00 C ATOM 88 O ALA A 7 -12.229 5.796 0.422 1.00 10.00 O ATOM 89 CB ALA A 7 -9.708 7.053 -1.832 1.00 10.00 C ATOM 0 H ALA A 7 -8.920 4.925 -0.969 1.00 10.00 H new ATOM 0 HA ALA A 7 -9.729 7.244 0.327 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.164 8.025 -2.023 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.623 7.143 -1.891 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.053 6.337 -2.578 1.00 10.00 H new ATOM 95 N TYR A 8 -12.273 7.439 -1.090 1.00 10.00 N ATOM 96 CA TYR A 8 -13.713 7.571 -1.038 1.00 10.00 C ATOM 97 C TYR A 8 -14.319 7.025 -2.331 1.00 10.00 C ATOM 98 O TYR A 8 -14.863 7.767 -3.144 1.00 10.00 O ATOM 99 CB TYR A 8 -14.082 9.044 -0.853 1.00 10.00 C ATOM 100 CG TYR A 8 -15.297 9.297 0.009 1.00 10.00 C ATOM 101 CD1 TYR A 8 -16.508 8.666 -0.245 1.00 10.00 C ATOM 102 CD2 TYR A 8 -15.230 10.187 1.069 1.00 10.00 C ATOM 103 CE1 TYR A 8 -17.616 8.915 0.538 1.00 10.00 C ATOM 104 CE2 TYR A 8 -16.329 10.441 1.859 1.00 10.00 C ATOM 105 CZ TYR A 8 -17.521 9.803 1.590 1.00 10.00 C ATOM 106 OH TYR A 8 -18.622 10.053 2.376 1.00 10.00 O ATOM 0 H TYR A 8 -11.815 8.056 -1.760 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.108 7.002 -0.197 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -13.230 9.564 -0.414 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.254 9.486 -1.835 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.583 7.970 -1.068 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -14.298 10.691 1.280 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -18.552 8.418 0.329 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -16.258 11.135 2.683 1.00 10.00 H new ATOM 0 HH TYR A 8 -18.386 10.701 3.073 1.00 10.00 H new ATOM 116 N GLY A 9 -14.216 5.717 -2.512 1.00 10.00 N ATOM 117 CA GLY A 9 -14.766 5.093 -3.696 1.00 10.00 C ATOM 118 C GLY A 9 -13.848 5.178 -4.900 1.00 10.00 C ATOM 119 O GLY A 9 -14.317 5.262 -6.033 1.00 10.00 O ATOM 0 H GLY A 9 -13.762 5.077 -1.860 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -14.977 4.045 -3.482 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.717 5.566 -3.939 1.00 10.00 H new ATOM 123 N CYS A 10 -12.540 5.139 -4.679 1.00 10.00 N ATOM 124 CA CYS A 10 -11.585 5.224 -5.765 1.00 10.00 C ATOM 125 C CYS A 10 -11.261 3.863 -6.353 1.00 10.00 C ATOM 126 O CYS A 10 -10.240 3.256 -6.014 1.00 10.00 O ATOM 127 CB CYS A 10 -10.313 5.921 -5.299 1.00 10.00 C ATOM 128 SG CYS A 10 -8.961 5.822 -6.480 1.00 10.00 S ATOM 0 H CYS A 10 -12.120 5.049 -3.754 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.046 5.814 -6.557 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.535 6.970 -5.102 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -9.992 5.480 -4.355 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.043 6.685 -6.162 1.00 10.00 H new ATOM 133 N LYS A 11 -12.176 3.328 -7.144 1.00 10.00 N ATOM 134 CA LYS A 11 -11.928 2.060 -7.807 1.00 10.00 C ATOM 135 C LYS A 11 -10.916 2.292 -8.922 1.00 10.00 C ATOM 136 O LYS A 11 -11.250 2.101 -10.091 1.00 10.00 O ATOM 137 CB LYS A 11 -13.217 1.470 -8.370 1.00 10.00 C ATOM 138 CG LYS A 11 -14.414 1.634 -7.449 1.00 10.00 C ATOM 139 CD LYS A 11 -15.440 0.527 -7.652 1.00 10.00 C ATOM 140 CE LYS A 11 -15.126 -0.696 -6.799 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.250 -1.673 -6.782 1.00 10.00 N ATOM 0 H LYS A 11 -13.086 3.746 -7.341 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.534 1.345 -7.085 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -13.437 1.945 -9.326 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.065 0.409 -8.569 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -14.078 1.632 -6.412 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.882 2.601 -7.630 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -16.433 0.901 -7.401 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -15.463 0.241 -8.704 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -14.229 -1.183 -7.181 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -14.907 -0.379 -5.779 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -15.992 -2.488 -6.190 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -17.100 -1.217 -6.393 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -16.444 -1.996 -7.751 1.00 10.00 H new ATOM 155 N ASN A 12 -9.691 2.687 -8.613 1.00 10.00 N ATOM 156 CA ASN A 12 -8.707 2.933 -9.668 1.00 10.00 C ATOM 157 C ASN A 12 -7.862 1.709 -9.987 1.00 10.00 C ATOM 158 O ASN A 12 -6.678 1.859 -10.288 1.00 10.00 O ATOM 159 CB ASN A 12 -7.790 4.084 -9.310 1.00 10.00 C ATOM 160 CG ASN A 12 -8.381 5.428 -9.681 1.00 10.00 C ATOM 161 OD1 ASN A 12 -9.596 5.608 -9.685 1.00 10.00 O ATOM 162 ND2 ASN A 12 -7.521 6.377 -10.010 1.00 10.00 N ATOM 0 H ASN A 12 -9.354 2.843 -7.663 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.287 3.186 -10.556 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -7.585 4.063 -8.240 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -6.835 3.957 -9.820 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -7.859 7.300 -10.280 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -6.519 6.186 -9.993 1.00 10.00 H new ATOM 169 N ARG A 13 -8.466 0.528 -9.845 1.00 10.00 N ATOM 170 CA ARG A 13 -7.819 -0.784 -10.106 1.00 10.00 C ATOM 171 C ARG A 13 -6.644 -0.662 -11.092 1.00 10.00 C ATOM 172 O ARG A 13 -6.777 0.021 -12.113 1.00 10.00 O ATOM 173 CB ARG A 13 -8.856 -1.761 -10.680 1.00 10.00 C ATOM 174 CG ARG A 13 -8.781 -3.182 -10.125 1.00 10.00 C ATOM 175 CD ARG A 13 -7.359 -3.731 -10.130 1.00 10.00 C ATOM 176 NE ARG A 13 -7.311 -5.171 -9.881 1.00 10.00 N ATOM 177 CZ ARG A 13 -6.300 -5.959 -10.257 1.00 10.00 C ATOM 178 NH1 ARG A 13 -5.274 -5.459 -10.938 1.00 10.00 N ATOM 179 NH2 ARG A 13 -6.317 -7.253 -9.956 1.00 10.00 N ATOM 0 H ARG A 13 -9.436 0.442 -9.541 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.427 -1.153 -9.158 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -9.853 -1.364 -10.487 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.733 -1.803 -11.762 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -9.169 -3.193 -9.106 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.422 -3.835 -10.717 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.894 -3.517 -11.092 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.772 -3.215 -9.371 1.00 10.00 H new ATOM 0 HE ARG A 13 -8.096 -5.599 -9.391 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -5.255 -4.468 -11.177 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -4.506 -6.067 -11.222 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -7.103 -7.646 -9.437 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -5.544 -7.854 -10.244 1.00 10.00 H new ATOM 193 N TYR A 14 -5.528 -1.360 -10.805 1.00 10.00 N ATOM 194 CA TYR A 14 -4.321 -1.299 -11.645 1.00 10.00 C ATOM 195 C TYR A 14 -4.681 -1.359 -13.117 1.00 10.00 C ATOM 196 O TYR A 14 -5.121 -2.388 -13.629 1.00 10.00 O ATOM 197 CB TYR A 14 -3.349 -2.441 -11.313 1.00 10.00 C ATOM 198 CG TYR A 14 -1.880 -2.031 -11.294 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.167 -1.820 -12.473 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.203 -1.854 -10.091 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.165 -1.450 -12.447 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.130 -1.478 -10.064 1.00 10.00 C ATOM 203 CZ TYR A 14 0.805 -1.279 -11.241 1.00 10.00 C ATOM 204 OH TYR A 14 2.136 -0.919 -11.213 1.00 10.00 O ATOM 0 H TYR A 14 -5.440 -1.974 -9.995 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.831 -0.348 -11.433 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.611 -2.854 -10.339 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.482 -3.239 -12.043 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.664 -1.948 -13.423 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.727 -2.013 -9.160 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.702 -1.296 -13.371 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.636 -1.342 -9.119 1.00 10.00 H new ATOM 0 HH TYR A 14 2.434 -0.839 -10.283 1.00 10.00 H new ATOM 214 N ASP A 15 -4.497 -0.226 -13.759 1.00 10.00 N ATOM 215 CA ASP A 15 -4.723 -0.055 -15.174 1.00 10.00 C ATOM 216 C ASP A 15 -3.524 0.702 -15.686 1.00 10.00 C ATOM 217 O ASP A 15 -3.267 1.830 -15.277 1.00 10.00 O ATOM 218 CB ASP A 15 -6.020 0.713 -15.431 1.00 10.00 C ATOM 219 CG ASP A 15 -6.250 0.984 -16.901 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.859 0.138 -17.734 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.821 2.046 -17.224 1.00 10.00 O ATOM 0 H ASP A 15 -4.177 0.625 -13.296 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.835 -1.012 -15.685 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.860 0.144 -15.034 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.992 1.659 -14.890 1.00 10.00 H new ATOM 226 N LYS A 16 -2.789 0.062 -16.575 1.00 10.00 N ATOM 227 CA LYS A 16 -1.587 0.634 -17.165 1.00 10.00 C ATOM 228 C LYS A 16 -1.904 1.889 -17.976 1.00 10.00 C ATOM 229 O LYS A 16 -1.026 2.694 -18.278 1.00 10.00 O ATOM 230 CB LYS A 16 -0.953 -0.410 -18.080 1.00 10.00 C ATOM 231 CG LYS A 16 -1.289 -0.183 -19.546 1.00 10.00 C ATOM 232 CD LYS A 16 -1.459 -1.479 -20.309 1.00 10.00 C ATOM 233 CE LYS A 16 -2.144 -1.238 -21.644 1.00 10.00 C ATOM 234 NZ LYS A 16 -3.610 -1.029 -21.501 1.00 10.00 N ATOM 0 H LYS A 16 -3.008 -0.875 -16.912 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.904 0.916 -16.363 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.129 -0.391 -17.952 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.292 -1.402 -17.783 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.207 0.401 -19.619 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.498 0.407 -20.010 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.485 -1.939 -20.474 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.046 -2.180 -19.716 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.701 -0.366 -22.124 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.964 -2.089 -22.300 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -4.117 -1.695 -22.118 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.889 -1.192 -20.512 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.850 -0.054 -21.773 1.00 10.00 H new ATOM 248 N ASP A 17 -3.176 2.043 -18.299 1.00 10.00 N ATOM 249 CA ASP A 17 -3.638 3.179 -19.081 1.00 10.00 C ATOM 250 C ASP A 17 -3.651 4.424 -18.215 1.00 10.00 C ATOM 251 O ASP A 17 -3.556 5.547 -18.710 1.00 10.00 O ATOM 252 CB ASP A 17 -5.031 2.931 -19.645 1.00 10.00 C ATOM 253 CG ASP A 17 -5.035 1.947 -20.799 1.00 10.00 C ATOM 254 OD1 ASP A 17 -3.946 1.640 -21.335 1.00 10.00 O ATOM 255 OD2 ASP A 17 -6.127 1.466 -21.173 1.00 10.00 O ATOM 0 H ASP A 17 -3.913 1.391 -18.030 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.953 3.318 -19.917 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.677 2.555 -18.852 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.455 3.877 -19.980 1.00 10.00 H new ATOM 260 N LYS A 18 -3.754 4.210 -16.913 1.00 10.00 N ATOM 261 CA LYS A 18 -3.763 5.300 -15.956 1.00 10.00 C ATOM 262 C LYS A 18 -2.373 5.408 -15.339 1.00 10.00 C ATOM 263 O LYS A 18 -1.725 4.392 -15.080 1.00 10.00 O ATOM 264 CB LYS A 18 -4.846 5.079 -14.890 1.00 10.00 C ATOM 265 CG LYS A 18 -4.426 4.195 -13.730 1.00 10.00 C ATOM 266 CD LYS A 18 -5.519 4.057 -12.667 1.00 10.00 C ATOM 267 CE LYS A 18 -6.915 4.373 -13.198 1.00 10.00 C ATOM 268 NZ LYS A 18 -7.461 3.269 -14.033 1.00 10.00 N ATOM 0 H LYS A 18 -3.833 3.283 -16.494 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.005 6.238 -16.456 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.153 6.048 -14.497 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.721 4.637 -15.367 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -4.165 3.206 -14.108 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -3.528 4.608 -13.270 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.508 3.041 -12.273 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.294 4.724 -11.835 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.587 4.559 -12.360 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.879 5.289 -13.788 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.490 3.385 -14.132 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.018 3.293 -14.973 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.258 2.356 -13.578 1.00 10.00 H new ATOM 282 N PRO A 19 -1.876 6.626 -15.105 1.00 10.00 N ATOM 283 CA PRO A 19 -0.538 6.809 -14.568 1.00 10.00 C ATOM 284 C PRO A 19 -0.450 6.772 -13.042 1.00 10.00 C ATOM 285 O PRO A 19 -0.312 7.813 -12.396 1.00 10.00 O ATOM 286 CB PRO A 19 -0.168 8.196 -15.094 1.00 10.00 C ATOM 287 CG PRO A 19 -1.458 8.938 -15.225 1.00 10.00 C ATOM 288 CD PRO A 19 -2.558 7.909 -15.346 1.00 10.00 C ATOM 0 HA PRO A 19 0.126 6.000 -14.872 1.00 10.00 H new ATOM 0 HB2 PRO A 19 0.509 8.706 -14.409 1.00 10.00 H new ATOM 0 HB3 PRO A 19 0.343 8.127 -16.054 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -1.623 9.577 -14.358 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -1.441 9.587 -16.101 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.349 8.083 -14.617 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.022 7.935 -16.332 1.00 10.00 H new ATOM 296 N VAL A 20 -0.535 5.580 -12.456 1.00 10.00 N ATOM 297 CA VAL A 20 -0.429 5.450 -11.009 1.00 10.00 C ATOM 298 C VAL A 20 0.257 4.136 -10.619 1.00 10.00 C ATOM 299 O VAL A 20 0.172 3.134 -11.332 1.00 10.00 O ATOM 300 CB VAL A 20 -1.811 5.532 -10.262 1.00 10.00 C ATOM 301 CG1 VAL A 20 -2.761 6.563 -10.861 1.00 10.00 C ATOM 302 CG2 VAL A 20 -2.499 4.181 -10.185 1.00 10.00 C ATOM 0 H VAL A 20 -0.675 4.702 -12.955 1.00 10.00 H new ATOM 0 HA VAL A 20 0.172 6.303 -10.694 1.00 10.00 H new ATOM 0 HB VAL A 20 -1.566 5.861 -9.252 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -3.695 6.568 -10.298 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -2.303 7.551 -10.812 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -2.965 6.309 -11.901 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -3.449 4.286 -9.661 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -2.680 3.807 -11.193 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -1.863 3.479 -9.646 1.00 10.00 H new ATOM 312 N SER A 21 0.975 4.189 -9.500 1.00 10.00 N ATOM 313 CA SER A 21 1.667 3.035 -8.929 1.00 10.00 C ATOM 314 C SER A 21 0.909 2.600 -7.684 1.00 10.00 C ATOM 315 O SER A 21 0.036 3.338 -7.210 1.00 10.00 O ATOM 316 CB SER A 21 3.107 3.406 -8.586 1.00 10.00 C ATOM 317 OG SER A 21 3.265 4.818 -8.531 1.00 10.00 O ATOM 0 H SER A 21 1.094 5.044 -8.957 1.00 10.00 H new ATOM 0 HA SER A 21 1.698 2.215 -9.646 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.382 2.967 -7.627 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.783 2.989 -9.333 1.00 10.00 H new ATOM 0 HG SER A 21 4.194 5.035 -8.308 1.00 10.00 H new ATOM 323 N PHE A 22 1.224 1.443 -7.124 1.00 10.00 N ATOM 324 CA PHE A 22 0.461 0.999 -5.980 1.00 10.00 C ATOM 325 C PHE A 22 1.224 0.824 -4.659 1.00 10.00 C ATOM 326 O PHE A 22 1.937 -0.156 -4.481 1.00 10.00 O ATOM 327 CB PHE A 22 -0.334 -0.262 -6.306 1.00 10.00 C ATOM 328 CG PHE A 22 -1.793 0.012 -6.585 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.683 0.225 -5.545 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.276 0.049 -7.883 1.00 10.00 C ATOM 331 CE1 PHE A 22 -4.020 0.471 -5.794 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.615 0.289 -8.138 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.486 0.502 -7.091 1.00 10.00 C ATOM 0 H PHE A 22 1.971 0.820 -7.430 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.207 1.838 -5.788 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.110 -0.750 -7.174 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.255 -0.960 -5.472 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -2.327 0.198 -4.526 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -1.598 -0.112 -8.708 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.700 0.639 -4.972 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -3.977 0.309 -9.155 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.531 0.693 -7.286 1.00 10.00 H new ATOM 343 N HIS A 23 1.079 1.742 -3.737 1.00 10.00 N ATOM 344 CA HIS A 23 1.920 1.739 -2.529 1.00 10.00 C ATOM 345 C HIS A 23 1.223 1.302 -1.281 1.00 10.00 C ATOM 346 O HIS A 23 0.031 1.400 -1.166 1.00 10.00 O ATOM 347 CB HIS A 23 2.402 3.152 -2.241 1.00 10.00 C ATOM 348 CG HIS A 23 2.055 4.121 -3.295 1.00 10.00 C ATOM 349 ND1 HIS A 23 0.777 4.567 -3.441 1.00 10.00 N ATOM 350 CD2 HIS A 23 2.770 4.659 -4.303 1.00 10.00 C ATOM 351 CE1 HIS A 23 0.695 5.325 -4.489 1.00 10.00 C ATOM 352 NE2 HIS A 23 1.895 5.412 -5.045 1.00 10.00 N ATOM 0 H HIS A 23 0.399 2.501 -3.782 1.00 10.00 H new ATOM 0 HA HIS A 23 2.718 1.031 -2.754 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.974 3.487 -1.296 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.484 3.139 -2.114 1.00 10.00 H new ATOM 0 HD1 HIS A 23 0.001 4.339 -2.819 1.00 10.00 H new ATOM 0 HD2 HIS A 23 3.825 4.524 -4.490 1.00 10.00 H new ATOM 0 HE1 HIS A 23 -0.202 5.806 -4.849 1.00 10.00 H new ATOM 361 N LYS A 24 2.004 0.886 -0.316 1.00 10.00 N ATOM 362 CA LYS A 24 1.416 0.482 0.939 1.00 10.00 C ATOM 363 C LYS A 24 1.403 1.642 1.942 1.00 10.00 C ATOM 364 O LYS A 24 2.091 2.641 1.717 1.00 10.00 O ATOM 365 CB LYS A 24 2.178 -0.712 1.519 1.00 10.00 C ATOM 366 CG LYS A 24 1.625 -2.058 1.072 1.00 10.00 C ATOM 367 CD LYS A 24 2.684 -3.148 1.122 1.00 10.00 C ATOM 368 CE LYS A 24 3.197 -3.377 2.537 1.00 10.00 C ATOM 369 NZ LYS A 24 4.471 -4.150 2.545 1.00 10.00 N ATOM 0 H LYS A 24 3.020 0.818 -0.369 1.00 10.00 H new ATOM 0 HA LYS A 24 0.384 0.187 0.751 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.225 -0.642 1.225 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.148 -0.659 2.607 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.786 -2.336 1.710 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.238 -1.973 0.056 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.268 -4.077 0.732 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.517 -2.875 0.474 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.352 -2.416 3.028 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.443 -3.912 3.115 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.789 -4.286 3.526 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.317 -5.077 2.099 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.197 -3.627 2.015 1.00 10.00 H new ATOM 383 N PHE A 25 0.618 1.553 3.006 1.00 10.00 N ATOM 384 CA PHE A 25 0.567 2.632 4.000 1.00 10.00 C ATOM 385 C PHE A 25 1.952 2.902 4.591 1.00 10.00 C ATOM 386 O PHE A 25 2.817 2.022 4.590 1.00 10.00 O ATOM 387 CB PHE A 25 -0.353 2.247 5.149 1.00 10.00 C ATOM 388 CG PHE A 25 -1.721 2.894 5.155 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.654 2.603 4.182 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.080 3.767 6.169 1.00 10.00 C ATOM 391 CE1 PHE A 25 -3.915 3.176 4.208 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.335 4.335 6.205 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.253 4.043 5.223 1.00 10.00 C ATOM 0 H PHE A 25 0.012 0.758 3.208 1.00 10.00 H new ATOM 0 HA PHE A 25 0.199 3.523 3.490 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.486 1.165 5.134 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.147 2.494 6.086 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.398 1.918 3.388 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.366 4.006 6.943 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.631 2.943 3.434 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.598 5.011 7.005 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.235 4.492 5.248 1.00 10.00 H new ATOM 403 N PRO A 26 2.172 4.113 5.135 1.00 10.00 N ATOM 404 CA PRO A 26 3.444 4.482 5.777 1.00 10.00 C ATOM 405 C PRO A 26 3.513 3.857 7.164 1.00 10.00 C ATOM 406 O PRO A 26 3.456 4.521 8.197 1.00 10.00 O ATOM 407 CB PRO A 26 3.296 5.992 5.943 1.00 10.00 C ATOM 408 CG PRO A 26 1.837 6.176 6.153 1.00 10.00 C ATOM 409 CD PRO A 26 1.197 5.226 5.189 1.00 10.00 C ATOM 0 HA PRO A 26 4.324 4.167 5.216 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.873 6.361 6.791 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.646 6.529 5.061 1.00 10.00 H new ATOM 0 HG2 PRO A 26 1.552 5.950 7.181 1.00 10.00 H new ATOM 0 HG3 PRO A 26 1.534 7.205 5.957 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.220 4.892 5.538 1.00 10.00 H new ATOM 0 HD3 PRO A 26 1.048 5.682 4.210 1.00 10.00 H new ATOM 417 N LEU A 27 3.623 2.537 7.127 1.00 10.00 N ATOM 418 CA LEU A 27 3.661 1.672 8.287 1.00 10.00 C ATOM 419 C LEU A 27 4.651 2.067 9.351 1.00 10.00 C ATOM 420 O LEU A 27 4.466 1.904 10.554 1.00 10.00 O ATOM 421 CB LEU A 27 3.895 0.233 7.842 1.00 10.00 C ATOM 422 CG LEU A 27 2.616 -0.506 7.471 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.900 -1.968 7.163 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.607 -0.365 8.600 1.00 10.00 C ATOM 0 H LEU A 27 3.691 2.022 6.249 1.00 10.00 H new ATOM 0 HA LEU A 27 2.688 1.776 8.767 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.567 0.232 6.984 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.399 -0.309 8.643 1.00 10.00 H new ATOM 0 HG LEU A 27 2.197 -0.064 6.567 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.970 -2.472 6.901 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.597 -2.035 6.327 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.337 -2.446 8.039 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.690 -0.893 8.337 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.022 -0.791 9.514 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.385 0.690 8.760 1.00 10.00 H new ATOM 436 N THR A 28 5.731 2.577 8.792 1.00 10.00 N ATOM 437 CA THR A 28 6.916 2.991 9.502 1.00 10.00 C ATOM 438 C THR A 28 6.881 4.459 9.936 1.00 10.00 C ATOM 439 O THR A 28 7.800 4.969 10.579 1.00 10.00 O ATOM 440 CB THR A 28 8.118 2.792 8.554 1.00 10.00 C ATOM 441 OG1 THR A 28 8.120 3.814 7.545 1.00 10.00 O ATOM 442 CG2 THR A 28 8.045 1.440 7.864 1.00 10.00 C ATOM 0 H THR A 28 5.805 2.719 7.785 1.00 10.00 H new ATOM 0 HA THR A 28 6.989 2.392 10.410 1.00 10.00 H new ATOM 0 HB THR A 28 9.028 2.846 9.152 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.886 3.683 6.948 1.00 10.00 H new ATOM 0 HG21 THR A 28 8.902 1.323 7.201 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.055 0.648 8.613 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.126 1.378 7.282 1.00 10.00 H new ATOM 450 N ARG A 29 5.777 5.112 9.596 1.00 10.00 N ATOM 451 CA ARG A 29 5.516 6.474 9.999 1.00 10.00 C ATOM 452 C ARG A 29 4.104 6.486 10.553 1.00 10.00 C ATOM 453 O ARG A 29 3.246 7.200 10.052 1.00 10.00 O ATOM 454 CB ARG A 29 5.634 7.397 8.784 1.00 10.00 C ATOM 455 CG ARG A 29 6.557 8.580 8.980 1.00 10.00 C ATOM 456 CD ARG A 29 5.909 9.646 9.831 1.00 10.00 C ATOM 457 NE ARG A 29 6.543 9.794 11.138 1.00 10.00 N ATOM 458 CZ ARG A 29 7.748 10.319 11.351 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.482 10.770 10.343 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.214 10.401 12.586 1.00 10.00 N ATOM 0 H ARG A 29 5.036 4.701 9.028 1.00 10.00 H new ATOM 0 HA ARG A 29 6.227 6.825 10.747 1.00 10.00 H new ATOM 0 HB2 ARG A 29 5.988 6.814 7.934 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.641 7.766 8.526 1.00 10.00 H new ATOM 0 HG2 ARG A 29 7.482 8.248 9.451 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.826 8.999 8.010 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.949 10.599 9.303 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.856 9.403 9.969 1.00 10.00 H new ATOM 0 HE ARG A 29 6.022 9.470 11.952 1.00 10.00 H new ATOM 0 HH11 ARG A 29 8.125 10.717 9.389 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.403 11.170 10.522 1.00 10.00 H new ATOM 0 HH21 ARG A 29 7.651 10.063 13.367 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.136 10.802 12.758 1.00 10.00 H new ATOM 474 N PRO A 30 3.857 5.676 11.605 1.00 10.00 N ATOM 475 CA PRO A 30 2.536 5.494 12.197 1.00 10.00 C ATOM 476 C PRO A 30 1.760 6.777 12.456 1.00 10.00 C ATOM 477 O PRO A 30 0.624 6.894 12.033 1.00 10.00 O ATOM 478 CB PRO A 30 2.801 4.796 13.524 1.00 10.00 C ATOM 479 CG PRO A 30 4.280 4.795 13.701 1.00 10.00 C ATOM 480 CD PRO A 30 4.853 4.877 12.326 1.00 10.00 C ATOM 0 HA PRO A 30 1.912 4.935 11.500 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.310 5.319 14.345 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.409 3.779 13.515 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.602 5.640 14.310 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.612 3.890 14.210 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.833 5.355 12.324 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.979 3.890 11.881 1.00 10.00 H new ATOM 488 N SER A 31 2.355 7.731 13.160 1.00 10.00 N ATOM 489 CA SER A 31 1.671 8.985 13.453 1.00 10.00 C ATOM 490 C SER A 31 1.132 9.595 12.167 1.00 10.00 C ATOM 491 O SER A 31 -0.044 9.949 12.078 1.00 10.00 O ATOM 492 CB SER A 31 2.626 9.949 14.150 1.00 10.00 C ATOM 493 OG SER A 31 3.315 9.298 15.205 1.00 10.00 O ATOM 0 H SER A 31 3.301 7.663 13.536 1.00 10.00 H new ATOM 0 HA SER A 31 0.832 8.789 14.120 1.00 10.00 H new ATOM 0 HB2 SER A 31 3.343 10.343 13.430 1.00 10.00 H new ATOM 0 HB3 SER A 31 2.069 10.800 14.543 1.00 10.00 H new ATOM 0 HG SER A 31 3.924 9.932 15.638 1.00 10.00 H new ATOM 499 N LEU A 32 1.968 9.617 11.146 1.00 10.00 N ATOM 500 CA LEU A 32 1.583 10.165 9.863 1.00 10.00 C ATOM 501 C LEU A 32 0.591 9.210 9.217 1.00 10.00 C ATOM 502 O LEU A 32 -0.369 9.630 8.580 1.00 10.00 O ATOM 503 CB LEU A 32 2.850 10.371 9.015 1.00 10.00 C ATOM 504 CG LEU A 32 2.699 10.974 7.624 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.579 9.882 6.586 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.524 11.920 7.559 1.00 10.00 C ATOM 0 H LEU A 32 2.922 9.259 11.183 1.00 10.00 H new ATOM 0 HA LEU A 32 1.097 11.135 9.962 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.529 11.008 9.581 1.00 10.00 H new ATOM 0 HB3 LEU A 32 3.338 9.402 8.906 1.00 10.00 H new ATOM 0 HG LEU A 32 3.595 11.555 7.408 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.472 10.329 5.598 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.474 9.260 6.607 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.705 9.268 6.803 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.444 12.333 6.553 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.609 11.381 7.803 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.669 12.730 8.273 1.00 10.00 H new ATOM 518 N CYS A 33 0.771 7.925 9.492 1.00 10.00 N ATOM 519 CA CYS A 33 -0.097 6.899 8.955 1.00 10.00 C ATOM 520 C CYS A 33 -1.482 7.152 9.502 1.00 10.00 C ATOM 521 O CYS A 33 -2.483 7.011 8.797 1.00 10.00 O ATOM 522 CB CYS A 33 0.388 5.543 9.470 1.00 10.00 C ATOM 523 SG CYS A 33 -0.445 4.104 8.774 1.00 10.00 S ATOM 0 H CYS A 33 1.518 7.572 10.089 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.097 6.909 7.865 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.455 5.457 9.266 1.00 10.00 H new ATOM 0 HB3 CYS A 33 0.268 5.522 10.553 1.00 10.00 H new ATOM 0 HG CYS A 33 -0.829 4.370 7.561 1.00 10.00 H new ATOM 529 N LYS A 34 -1.535 7.580 10.742 1.00 10.00 N ATOM 530 CA LYS A 34 -2.762 7.790 11.437 1.00 10.00 C ATOM 531 C LYS A 34 -3.579 8.947 10.897 1.00 10.00 C ATOM 532 O LYS A 34 -4.801 8.935 11.023 1.00 10.00 O ATOM 533 CB LYS A 34 -2.385 7.966 12.900 1.00 10.00 C ATOM 534 CG LYS A 34 -3.309 8.845 13.707 1.00 10.00 C ATOM 535 CD LYS A 34 -2.511 9.851 14.510 1.00 10.00 C ATOM 536 CE LYS A 34 -3.312 10.381 15.687 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.864 9.285 16.538 1.00 10.00 N ATOM 0 H LYS A 34 -0.706 7.793 11.297 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.426 6.937 11.299 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.346 6.982 13.368 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.379 8.383 12.951 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -3.999 9.365 13.043 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -3.912 8.232 14.376 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -1.594 9.385 14.872 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.215 10.680 13.867 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -2.677 11.025 16.295 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.131 10.998 15.318 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -3.956 9.620 17.518 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -4.799 9.004 16.179 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.222 8.467 16.511 1.00 10.00 H new ATOM 551 N GLU A 35 -2.968 9.928 10.249 1.00 10.00 N ATOM 552 CA GLU A 35 -3.815 11.000 9.748 1.00 10.00 C ATOM 553 C GLU A 35 -4.533 10.521 8.525 1.00 10.00 C ATOM 554 O GLU A 35 -5.588 11.048 8.176 1.00 10.00 O ATOM 555 CB GLU A 35 -3.108 12.290 9.427 1.00 10.00 C ATOM 556 CG GLU A 35 -1.626 12.150 9.185 1.00 10.00 C ATOM 557 CD GLU A 35 -0.884 13.440 9.442 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.241 14.463 8.835 1.00 10.00 O ATOM 559 OE2 GLU A 35 0.049 13.441 10.274 1.00 10.00 O ATOM 0 H GLU A 35 -1.968 10.007 10.067 1.00 10.00 H new ATOM 0 HA GLU A 35 -4.496 11.238 10.565 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -3.567 12.730 8.542 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.264 12.989 10.249 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.226 11.368 9.830 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -1.455 11.833 8.156 1.00 10.00 H new ATOM 566 N TRP A 36 -3.973 9.498 7.881 1.00 10.00 N ATOM 567 CA TRP A 36 -4.613 8.936 6.716 1.00 10.00 C ATOM 568 C TRP A 36 -5.984 8.485 7.172 1.00 10.00 C ATOM 569 O TRP A 36 -6.937 8.539 6.394 1.00 10.00 O ATOM 570 CB TRP A 36 -3.810 7.766 6.123 1.00 10.00 C ATOM 571 CG TRP A 36 -2.478 8.174 5.559 1.00 10.00 C ATOM 572 CD1 TRP A 36 -1.662 9.160 6.036 1.00 10.00 C ATOM 573 CD2 TRP A 36 -1.806 7.618 4.413 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.542 9.268 5.257 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.597 8.329 4.264 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.102 6.596 3.493 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.308 8.058 3.246 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.197 6.333 2.480 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.006 7.061 2.364 1.00 10.00 C ATOM 0 H TRP A 36 -3.094 9.055 8.148 1.00 10.00 H new ATOM 0 HA TRP A 36 -4.679 9.675 5.918 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.653 7.015 6.897 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.399 7.294 5.336 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -1.871 9.768 6.904 1.00 10.00 H new ATOM 0 HE1 TRP A 36 0.212 9.941 5.395 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.017 6.028 3.576 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 1.228 8.616 3.154 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.413 5.552 1.766 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.679 6.830 1.561 1.00 10.00 H new ATOM 590 N GLU A 37 -6.106 8.146 8.463 1.00 10.00 N ATOM 591 CA GLU A 37 -7.371 7.692 8.987 1.00 10.00 C ATOM 592 C GLU A 37 -8.444 8.729 8.702 1.00 10.00 C ATOM 593 O GLU A 37 -9.534 8.461 8.198 1.00 10.00 O ATOM 594 CB GLU A 37 -7.304 7.362 10.484 1.00 10.00 C ATOM 595 CG GLU A 37 -6.293 6.275 10.828 1.00 10.00 C ATOM 596 CD GLU A 37 -6.701 4.892 10.360 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.717 4.371 10.859 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.990 4.304 9.521 1.00 10.00 O ATOM 0 H GLU A 37 -5.347 8.182 9.144 1.00 10.00 H new ATOM 0 HA GLU A 37 -7.626 6.761 8.481 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.052 8.268 11.036 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.291 7.047 10.822 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.332 6.531 10.382 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.148 6.255 11.908 1.00 10.00 H new ATOM 605 N ALA A 38 -8.018 9.967 9.052 1.00 10.00 N ATOM 606 CA ALA A 38 -8.792 11.196 8.914 1.00 10.00 C ATOM 607 C ALA A 38 -9.307 11.406 7.503 1.00 10.00 C ATOM 608 O ALA A 38 -10.401 11.940 7.315 1.00 10.00 O ATOM 609 CB ALA A 38 -7.942 12.390 9.340 1.00 10.00 C ATOM 0 H ALA A 38 -7.093 10.128 9.450 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.663 11.105 9.563 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.523 13.306 9.236 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.640 12.269 10.380 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.055 12.449 8.709 1.00 10.00 H new ATOM 615 N ALA A 39 -8.542 11.002 6.515 1.00 10.00 N ATOM 616 CA ALA A 39 -8.969 11.176 5.141 1.00 10.00 C ATOM 617 C ALA A 39 -9.789 9.989 4.666 1.00 10.00 C ATOM 618 O ALA A 39 -10.534 10.080 3.691 1.00 10.00 O ATOM 619 CB ALA A 39 -7.755 11.390 4.248 1.00 10.00 C ATOM 0 H ALA A 39 -7.632 10.556 6.631 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.608 12.057 5.085 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.081 11.520 3.216 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.216 12.280 4.574 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.097 10.523 4.314 1.00 10.00 H new ATOM 625 N VAL A 40 -9.710 8.893 5.401 1.00 10.00 N ATOM 626 CA VAL A 40 -10.529 7.723 5.114 1.00 10.00 C ATOM 627 C VAL A 40 -11.830 7.872 5.914 1.00 10.00 C ATOM 628 O VAL A 40 -12.307 6.951 6.578 1.00 10.00 O ATOM 629 CB VAL A 40 -9.814 6.421 5.495 1.00 10.00 C ATOM 630 CG1 VAL A 40 -10.588 5.214 4.992 1.00 10.00 C ATOM 631 CG2 VAL A 40 -8.393 6.409 4.945 1.00 10.00 C ATOM 0 H VAL A 40 -9.087 8.787 6.202 1.00 10.00 H new ATOM 0 HA VAL A 40 -10.729 7.666 4.044 1.00 10.00 H new ATOM 0 HB VAL A 40 -9.764 6.367 6.583 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.062 4.302 5.274 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -11.584 5.210 5.435 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -10.673 5.263 3.906 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -7.902 5.477 5.226 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.423 6.490 3.858 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -7.836 7.251 5.357 1.00 10.00 H new ATOM 641 N ARG A 41 -12.371 9.077 5.846 1.00 10.00 N ATOM 642 CA ARG A 41 -13.591 9.477 6.561 1.00 10.00 C ATOM 643 C ARG A 41 -14.856 8.737 6.101 1.00 10.00 C ATOM 644 O ARG A 41 -15.968 9.143 6.434 1.00 10.00 O ATOM 645 CB ARG A 41 -13.792 10.986 6.406 1.00 10.00 C ATOM 646 CG ARG A 41 -14.089 11.414 4.978 1.00 10.00 C ATOM 647 CD ARG A 41 -13.212 12.577 4.537 1.00 10.00 C ATOM 648 NE ARG A 41 -13.944 13.488 3.659 1.00 10.00 N ATOM 649 CZ ARG A 41 -13.411 14.156 2.639 1.00 10.00 C ATOM 650 NH1 ARG A 41 -12.123 14.039 2.353 1.00 10.00 N ATOM 651 NH2 ARG A 41 -14.175 14.960 1.912 1.00 10.00 N ATOM 0 H ARG A 41 -11.972 9.827 5.282 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.444 9.204 7.606 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.612 11.303 7.050 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -12.896 11.501 6.753 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -13.935 10.569 4.307 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -15.138 11.699 4.896 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -12.856 13.120 5.413 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -12.332 12.196 4.018 1.00 10.00 H new ATOM 0 HE ARG A 41 -14.938 13.622 3.842 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -11.528 13.432 2.917 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -11.726 14.556 1.569 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -15.165 15.063 2.136 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -13.773 15.475 1.129 1.00 10.00 H new ATOM 665 N ARG A 42 -14.698 7.672 5.342 1.00 10.00 N ATOM 666 CA ARG A 42 -15.836 6.899 4.868 1.00 10.00 C ATOM 667 C ARG A 42 -16.355 5.992 5.989 1.00 10.00 C ATOM 668 O ARG A 42 -15.566 5.505 6.799 1.00 10.00 O ATOM 669 CB ARG A 42 -15.411 6.064 3.652 1.00 10.00 C ATOM 670 CG ARG A 42 -16.536 5.274 2.994 1.00 10.00 C ATOM 671 CD ARG A 42 -17.657 6.172 2.489 1.00 10.00 C ATOM 672 NE ARG A 42 -18.974 5.580 2.726 1.00 10.00 N ATOM 673 CZ ARG A 42 -20.089 6.282 2.929 1.00 10.00 C ATOM 674 NH1 ARG A 42 -20.063 7.607 2.891 1.00 10.00 N ATOM 675 NH2 ARG A 42 -21.235 5.654 3.160 1.00 10.00 N ATOM 0 H ARG A 42 -13.791 7.318 5.037 1.00 10.00 H new ATOM 0 HA ARG A 42 -16.640 7.573 4.572 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -14.970 6.728 2.909 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -14.631 5.369 3.961 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -16.133 4.698 2.161 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -16.941 4.559 3.710 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -17.599 7.141 2.986 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.526 6.352 1.422 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.044 4.562 2.737 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -19.187 8.095 2.706 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -20.919 8.139 3.047 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.262 4.635 3.182 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -22.088 6.191 3.315 1.00 10.00 H new ATOM 689 N LYS A 43 -17.676 5.790 6.061 1.00 10.00 N ATOM 690 CA LYS A 43 -18.247 4.919 7.090 1.00 10.00 C ATOM 691 C LYS A 43 -17.629 3.539 6.991 1.00 10.00 C ATOM 692 O LYS A 43 -17.063 3.021 7.955 1.00 10.00 O ATOM 693 CB LYS A 43 -19.772 4.799 6.962 1.00 10.00 C ATOM 694 CG LYS A 43 -20.308 3.503 7.560 1.00 10.00 C ATOM 695 CD LYS A 43 -21.815 3.512 7.731 1.00 10.00 C ATOM 696 CE LYS A 43 -22.542 3.248 6.422 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.997 3.028 6.637 1.00 10.00 N ATOM 0 H LYS A 43 -18.358 6.211 5.430 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.025 5.367 8.058 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.243 5.647 7.459 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.050 4.852 5.909 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -20.025 2.668 6.919 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -19.838 3.334 8.529 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.101 2.756 8.462 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.128 4.477 8.131 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -22.397 4.092 5.748 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.110 2.374 5.935 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -24.460 2.851 5.723 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.136 2.207 7.260 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.414 3.872 7.079 1.00 10.00 H new ATOM 711 N ASN A 44 -17.748 2.956 5.813 1.00 10.00 N ATOM 712 CA ASN A 44 -17.199 1.654 5.553 1.00 10.00 C ATOM 713 C ASN A 44 -15.711 1.797 5.278 1.00 10.00 C ATOM 714 O ASN A 44 -15.270 1.675 4.135 1.00 10.00 O ATOM 715 CB ASN A 44 -17.895 0.967 4.362 1.00 10.00 C ATOM 716 CG ASN A 44 -19.066 1.746 3.778 1.00 10.00 C ATOM 717 OD1 ASN A 44 -18.940 2.922 3.417 1.00 10.00 O ATOM 718 ND2 ASN A 44 -20.216 1.096 3.672 1.00 10.00 N ATOM 0 H ASN A 44 -18.228 3.376 5.017 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.364 1.026 6.428 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.159 0.799 3.576 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.250 -0.013 4.681 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -21.033 1.566 3.282 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -20.284 0.126 3.980 1.00 10.00 H new ATOM 725 N PHE A 45 -14.971 2.163 6.325 1.00 10.00 N ATOM 726 CA PHE A 45 -13.524 2.317 6.248 1.00 10.00 C ATOM 727 C PHE A 45 -12.925 1.110 5.531 1.00 10.00 C ATOM 728 O PHE A 45 -13.181 -0.038 5.901 1.00 10.00 O ATOM 729 CB PHE A 45 -12.923 2.475 7.666 1.00 10.00 C ATOM 730 CG PHE A 45 -11.450 2.860 7.713 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.481 2.001 7.227 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.031 4.071 8.261 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.144 2.323 7.272 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.688 4.400 8.306 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.745 3.526 7.810 1.00 10.00 C ATOM 0 H PHE A 45 -15.360 2.360 7.247 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.283 3.217 5.683 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.496 3.231 8.203 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.053 1.536 8.204 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.781 1.055 6.802 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.763 4.760 8.655 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.408 1.633 6.886 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.378 5.343 8.731 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.697 3.784 7.843 1.00 10.00 H new ATOM 745 N LYS A 46 -12.183 1.407 4.478 1.00 10.00 N ATOM 746 CA LYS A 46 -11.509 0.413 3.652 1.00 10.00 C ATOM 747 C LYS A 46 -10.466 -0.369 4.462 1.00 10.00 C ATOM 748 O LYS A 46 -10.435 -0.246 5.676 1.00 10.00 O ATOM 749 CB LYS A 46 -10.887 1.150 2.471 1.00 10.00 C ATOM 750 CG LYS A 46 -11.520 0.781 1.147 1.00 10.00 C ATOM 751 CD LYS A 46 -12.236 1.963 0.515 1.00 10.00 C ATOM 752 CE LYS A 46 -12.961 1.549 -0.756 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.923 0.447 -0.503 1.00 10.00 N ATOM 0 H LYS A 46 -12.027 2.365 4.165 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.218 -0.331 3.289 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -10.984 2.224 2.628 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -9.820 0.929 2.432 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.751 0.415 0.466 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.227 -0.035 1.297 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.950 2.381 1.225 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.516 2.749 0.287 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.491 2.407 -1.169 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.234 1.233 -1.504 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.624 0.415 -1.270 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -13.412 -0.458 -0.464 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.408 0.610 0.402 1.00 10.00 H new ATOM 767 N PRO A 47 -9.638 -1.237 3.828 1.00 10.00 N ATOM 768 CA PRO A 47 -8.605 -2.005 4.543 1.00 10.00 C ATOM 769 C PRO A 47 -7.791 -1.144 5.518 1.00 10.00 C ATOM 770 O PRO A 47 -7.871 0.084 5.544 1.00 10.00 O ATOM 771 CB PRO A 47 -7.776 -2.599 3.419 1.00 10.00 C ATOM 772 CG PRO A 47 -8.737 -2.750 2.295 1.00 10.00 C ATOM 773 CD PRO A 47 -9.636 -1.551 2.386 1.00 10.00 C ATOM 0 HA PRO A 47 -9.021 -2.771 5.198 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -6.947 -1.946 3.148 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.346 -3.558 3.706 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.220 -2.783 1.336 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.305 -3.676 2.383 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.257 -0.718 1.793 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.639 -1.772 2.021 1.00 10.00 H new ATOM 781 N THR A 48 -6.909 -1.823 6.237 1.00 10.00 N ATOM 782 CA THR A 48 -5.941 -1.179 7.101 1.00 10.00 C ATOM 783 C THR A 48 -4.836 -0.795 6.155 1.00 10.00 C ATOM 784 O THR A 48 -4.997 -0.657 4.951 1.00 10.00 O ATOM 785 CB THR A 48 -5.459 -2.137 8.185 1.00 10.00 C ATOM 786 OG1 THR A 48 -4.666 -3.202 7.618 1.00 10.00 O ATOM 787 CG2 THR A 48 -6.668 -2.727 8.834 1.00 10.00 C ATOM 0 H THR A 48 -6.848 -2.841 6.235 1.00 10.00 H new ATOM 0 HA THR A 48 -6.342 -0.321 7.641 1.00 10.00 H new ATOM 0 HB THR A 48 -4.841 -1.596 8.902 1.00 10.00 H new ATOM 0 HG1 THR A 48 -4.635 -3.955 8.244 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.359 -3.420 9.617 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.271 -1.931 9.271 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.257 -3.261 8.089 1.00 10.00 H new ATOM 795 N LYS A 49 -3.674 -0.710 6.767 1.00 10.00 N ATOM 796 CA LYS A 49 -2.467 -0.234 6.131 1.00 10.00 C ATOM 797 C LYS A 49 -1.633 -1.335 5.463 1.00 10.00 C ATOM 798 O LYS A 49 -0.606 -1.040 4.855 1.00 10.00 O ATOM 799 CB LYS A 49 -1.615 0.458 7.210 1.00 10.00 C ATOM 800 CG LYS A 49 -1.782 -0.088 8.631 1.00 10.00 C ATOM 801 CD LYS A 49 -2.294 0.989 9.580 1.00 10.00 C ATOM 802 CE LYS A 49 -3.796 1.202 9.442 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.263 2.410 10.185 1.00 10.00 N ATOM 0 H LYS A 49 -3.541 -0.976 7.743 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.764 0.444 5.331 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.565 0.375 6.928 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.860 1.520 7.216 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.477 -0.928 8.621 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -0.827 -0.469 8.991 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.060 0.709 10.607 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.775 1.926 9.379 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.052 1.304 8.387 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.322 0.323 9.814 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -4.785 2.115 11.035 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.442 2.984 10.465 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.888 2.974 9.574 1.00 10.00 H new ATOM 817 N TYR A 50 -2.033 -2.597 5.582 1.00 10.00 N ATOM 818 CA TYR A 50 -1.325 -3.630 4.853 1.00 10.00 C ATOM 819 C TYR A 50 -1.830 -3.532 3.431 1.00 10.00 C ATOM 820 O TYR A 50 -1.081 -3.882 2.519 1.00 10.00 O ATOM 821 CB TYR A 50 -1.632 -4.995 5.427 1.00 10.00 C ATOM 822 CG TYR A 50 -1.032 -5.266 6.785 1.00 10.00 C ATOM 823 CD1 TYR A 50 0.287 -5.666 6.910 1.00 10.00 C ATOM 824 CD2 TYR A 50 -1.805 -5.183 7.936 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.820 -5.991 8.134 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.275 -5.486 9.172 1.00 10.00 C ATOM 827 CZ TYR A 50 0.041 -5.898 9.262 1.00 10.00 C ATOM 828 OH TYR A 50 0.568 -6.276 10.469 1.00 10.00 O ATOM 0 H TYR A 50 -2.814 -2.917 6.155 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.245 -3.498 4.914 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -2.714 -5.109 5.495 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.275 -5.754 4.731 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.909 -5.724 6.029 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -2.838 -4.876 7.861 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.847 -6.318 8.209 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -1.882 -5.402 10.061 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.103 -6.152 11.172 1.00 10.00 H new ATOM 838 N SER A 51 -3.057 -3.130 3.182 1.00 10.00 N ATOM 839 CA SER A 51 -3.442 -2.944 1.785 1.00 10.00 C ATOM 840 C SER A 51 -2.606 -1.813 1.182 1.00 10.00 C ATOM 841 O SER A 51 -1.875 -1.106 1.874 1.00 10.00 O ATOM 842 CB SER A 51 -4.919 -2.650 1.659 1.00 10.00 C ATOM 843 OG SER A 51 -5.298 -1.658 2.568 1.00 10.00 O ATOM 0 H SER A 51 -3.776 -2.933 3.878 1.00 10.00 H new ATOM 0 HA SER A 51 -3.250 -3.867 1.237 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.147 -2.327 0.643 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.494 -3.558 1.841 1.00 10.00 H new ATOM 0 HG SER A 51 -4.577 -1.516 3.217 1.00 10.00 H new ATOM 849 N SER A 52 -2.760 -1.644 -0.116 1.00 10.00 N ATOM 850 CA SER A 52 -2.023 -0.650 -0.862 1.00 10.00 C ATOM 851 C SER A 52 -2.971 0.483 -1.322 1.00 10.00 C ATOM 852 O SER A 52 -4.193 0.337 -1.338 1.00 10.00 O ATOM 853 CB SER A 52 -1.321 -1.359 -2.032 1.00 10.00 C ATOM 854 OG SER A 52 -2.021 -2.569 -2.398 1.00 10.00 O ATOM 0 H SER A 52 -3.403 -2.196 -0.683 1.00 10.00 H new ATOM 0 HA SER A 52 -1.262 -0.174 -0.243 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.271 -0.689 -2.891 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.295 -1.598 -1.754 1.00 10.00 H new ATOM 0 HG SER A 52 -1.557 -3.002 -3.145 1.00 10.00 H new ATOM 860 N ILE A 53 -2.359 1.611 -1.697 1.00 10.00 N ATOM 861 CA ILE A 53 -3.051 2.832 -2.100 1.00 10.00 C ATOM 862 C ILE A 53 -2.433 3.307 -3.429 1.00 10.00 C ATOM 863 O ILE A 53 -1.309 2.928 -3.727 1.00 10.00 O ATOM 864 CB ILE A 53 -2.934 3.934 -0.996 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.655 3.526 0.300 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.508 5.254 -1.474 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.932 2.478 1.118 1.00 10.00 C ATOM 0 H ILE A 53 -1.343 1.699 -1.728 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.115 2.634 -2.233 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.870 4.049 -0.790 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.798 4.414 0.916 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.646 3.150 0.046 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.412 6.000 -0.685 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -2.964 5.589 -2.357 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.561 5.124 -1.724 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.512 2.251 2.013 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.812 1.572 0.524 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.951 2.855 1.407 1.00 10.00 H new ATOM 879 N CYS A 54 -3.123 4.118 -4.231 1.00 10.00 N ATOM 880 CA CYS A 54 -2.540 4.598 -5.479 1.00 10.00 C ATOM 881 C CYS A 54 -2.133 6.091 -5.382 1.00 10.00 C ATOM 882 O CYS A 54 -2.637 6.848 -4.551 1.00 10.00 O ATOM 883 CB CYS A 54 -3.496 4.302 -6.638 1.00 10.00 C ATOM 884 SG CYS A 54 -4.912 5.395 -6.742 1.00 10.00 S ATOM 0 H CYS A 54 -4.069 4.450 -4.042 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.612 4.061 -5.676 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -2.940 4.361 -7.573 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.853 3.276 -6.543 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.882 4.919 -6.019 1.00 10.00 H new ATOM 889 N SER A 55 -1.191 6.459 -6.248 1.00 10.00 N ATOM 890 CA SER A 55 -0.513 7.776 -6.276 1.00 10.00 C ATOM 891 C SER A 55 -1.366 9.050 -6.357 1.00 10.00 C ATOM 892 O SER A 55 -1.023 10.047 -5.727 1.00 10.00 O ATOM 893 CB SER A 55 0.478 7.757 -7.431 1.00 10.00 C ATOM 894 OG SER A 55 -0.027 7.004 -8.509 1.00 10.00 O ATOM 0 H SER A 55 -0.859 5.833 -6.981 1.00 10.00 H new ATOM 0 HA SER A 55 -0.062 7.865 -5.288 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.683 8.777 -7.758 1.00 10.00 H new ATOM 0 HB3 SER A 55 1.425 7.333 -7.097 1.00 10.00 H new ATOM 0 HG SER A 55 -0.550 7.587 -9.098 1.00 10.00 H new ATOM 900 N GLU A 56 -2.453 9.033 -7.091 1.00 10.00 N ATOM 901 CA GLU A 56 -3.293 10.221 -7.282 1.00 10.00 C ATOM 902 C GLU A 56 -3.779 10.861 -5.974 1.00 10.00 C ATOM 903 O GLU A 56 -4.230 12.004 -5.956 1.00 10.00 O ATOM 904 CB GLU A 56 -4.504 9.815 -8.110 1.00 10.00 C ATOM 905 CG GLU A 56 -4.900 8.373 -7.855 1.00 10.00 C ATOM 906 CD GLU A 56 -6.382 8.180 -7.665 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.173 8.878 -8.321 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.760 7.296 -6.849 1.00 10.00 O ATOM 0 H GLU A 56 -2.791 8.203 -7.578 1.00 10.00 H new ATOM 0 HA GLU A 56 -2.679 10.971 -7.780 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.343 10.470 -7.874 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -4.283 9.950 -9.169 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.566 7.760 -8.692 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.378 8.013 -6.968 1.00 10.00 H new ATOM 915 N HIS A 57 -3.665 10.124 -4.885 1.00 10.00 N ATOM 916 CA HIS A 57 -4.143 10.596 -3.586 1.00 10.00 C ATOM 917 C HIS A 57 -3.131 11.447 -2.805 1.00 10.00 C ATOM 918 O HIS A 57 -3.521 12.163 -1.878 1.00 10.00 O ATOM 919 CB HIS A 57 -4.552 9.394 -2.745 1.00 10.00 C ATOM 920 CG HIS A 57 -5.681 8.612 -3.338 1.00 10.00 C ATOM 921 ND1 HIS A 57 -6.919 9.142 -3.643 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.734 7.304 -3.690 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.671 8.155 -4.157 1.00 10.00 C ATOM 924 NE2 HIS A 57 -6.991 7.018 -4.208 1.00 10.00 N ATOM 0 H HIS A 57 -3.246 9.194 -4.868 1.00 10.00 H new ATOM 0 HA HIS A 57 -4.988 11.253 -3.789 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -3.691 8.737 -2.620 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -4.839 9.736 -1.751 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -4.926 6.595 -3.584 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.693 8.272 -4.485 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.323 6.118 -4.556 1.00 10.00 H new ATOM 932 N PHE A 58 -1.857 11.400 -3.171 1.00 10.00 N ATOM 933 CA PHE A 58 -0.833 12.166 -2.449 1.00 10.00 C ATOM 934 C PHE A 58 0.126 12.820 -3.410 1.00 10.00 C ATOM 935 O PHE A 58 0.514 12.222 -4.412 1.00 10.00 O ATOM 936 CB PHE A 58 -0.026 11.306 -1.469 1.00 10.00 C ATOM 937 CG PHE A 58 -0.210 9.844 -1.650 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.416 9.210 -2.690 1.00 10.00 C ATOM 939 CD2 PHE A 58 -0.989 9.105 -0.780 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.278 7.866 -2.876 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.138 7.748 -0.958 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.500 7.125 -2.008 1.00 10.00 C ATOM 0 H PHE A 58 -1.504 10.848 -3.953 1.00 10.00 H new ATOM 0 HA PHE A 58 -1.375 12.921 -1.879 1.00 10.00 H new ATOM 0 HB2 PHE A 58 1.032 11.544 -1.580 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.308 11.573 -0.451 1.00 10.00 H new ATOM 0 HD1 PHE A 58 1.027 9.782 -3.372 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.484 9.595 0.045 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.777 7.381 -3.702 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.752 7.175 -0.278 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.608 6.060 -2.152 1.00 10.00 H new ATOM 952 N THR A 59 0.426 14.075 -3.116 1.00 10.00 N ATOM 953 CA THR A 59 1.324 14.860 -3.907 1.00 10.00 C ATOM 954 C THR A 59 2.514 14.054 -4.336 1.00 10.00 C ATOM 955 O THR A 59 3.047 13.268 -3.565 1.00 10.00 O ATOM 956 CB THR A 59 1.756 16.117 -3.147 1.00 10.00 C ATOM 957 OG1 THR A 59 1.874 15.829 -1.745 1.00 10.00 O ATOM 958 CG2 THR A 59 0.727 17.208 -3.366 1.00 10.00 C ATOM 0 H THR A 59 0.043 14.571 -2.311 1.00 10.00 H new ATOM 0 HA THR A 59 0.795 15.173 -4.807 1.00 10.00 H new ATOM 0 HB THR A 59 2.726 16.450 -3.517 1.00 10.00 H new ATOM 0 HG1 THR A 59 2.152 16.638 -1.267 1.00 10.00 H new ATOM 0 HG21 THR A 59 1.029 18.106 -2.827 1.00 10.00 H new ATOM 0 HG22 THR A 59 0.654 17.431 -4.430 1.00 10.00 H new ATOM 0 HG23 THR A 59 -0.243 16.873 -2.998 1.00 10.00 H new ATOM 966 N PRO A 60 2.902 14.196 -5.597 1.00 10.00 N ATOM 967 CA PRO A 60 4.042 13.486 -6.157 1.00 10.00 C ATOM 968 C PRO A 60 5.267 13.610 -5.283 1.00 10.00 C ATOM 969 O PRO A 60 6.086 12.699 -5.173 1.00 10.00 O ATOM 970 CB PRO A 60 4.279 14.198 -7.496 1.00 10.00 C ATOM 971 CG PRO A 60 3.421 15.421 -7.458 1.00 10.00 C ATOM 972 CD PRO A 60 2.262 15.057 -6.598 1.00 10.00 C ATOM 0 HA PRO A 60 3.853 12.417 -6.251 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.330 14.460 -7.620 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.009 13.556 -8.335 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.965 16.271 -7.047 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.095 15.705 -8.459 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.794 15.932 -6.148 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.486 14.532 -7.155 1.00 10.00 H new ATOM 980 N ASP A 61 5.312 14.732 -4.587 1.00 10.00 N ATOM 981 CA ASP A 61 6.344 14.989 -3.610 1.00 10.00 C ATOM 982 C ASP A 61 6.270 13.889 -2.560 1.00 10.00 C ATOM 983 O ASP A 61 7.274 13.246 -2.249 1.00 10.00 O ATOM 984 CB ASP A 61 6.133 16.346 -2.943 1.00 10.00 C ATOM 985 CG ASP A 61 5.859 17.449 -3.944 1.00 10.00 C ATOM 986 OD1 ASP A 61 4.705 17.558 -4.410 1.00 10.00 O ATOM 987 OD2 ASP A 61 6.799 18.205 -4.268 1.00 10.00 O ATOM 0 H ASP A 61 4.633 15.487 -4.686 1.00 10.00 H new ATOM 0 HA ASP A 61 7.319 15.002 -4.097 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.299 16.278 -2.245 1.00 10.00 H new ATOM 0 HB3 ASP A 61 7.017 16.601 -2.359 1.00 10.00 H new ATOM 992 N SER A 62 5.053 13.645 -2.045 1.00 10.00 N ATOM 993 CA SER A 62 4.846 12.710 -0.951 1.00 10.00 C ATOM 994 C SER A 62 4.585 11.287 -1.392 1.00 10.00 C ATOM 995 O SER A 62 4.287 10.429 -0.577 1.00 10.00 O ATOM 996 CB SER A 62 3.640 13.165 -0.132 1.00 10.00 C ATOM 997 OG SER A 62 3.892 13.020 1.258 1.00 10.00 O ATOM 0 H SER A 62 4.199 14.091 -2.379 1.00 10.00 H new ATOM 0 HA SER A 62 5.773 12.710 -0.377 1.00 10.00 H new ATOM 0 HB2 SER A 62 3.413 14.207 -0.358 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.764 12.580 -0.411 1.00 10.00 H new ATOM 0 HG SER A 62 3.080 12.705 1.707 1.00 10.00 H new ATOM 1003 N PHE A 63 4.705 11.069 -2.685 1.00 10.00 N ATOM 1004 CA PHE A 63 4.484 9.749 -3.287 1.00 10.00 C ATOM 1005 C PHE A 63 5.037 8.565 -2.463 1.00 10.00 C ATOM 1006 O PHE A 63 4.278 7.656 -2.124 1.00 10.00 O ATOM 1007 CB PHE A 63 5.095 9.658 -4.684 1.00 10.00 C ATOM 1008 CG PHE A 63 4.184 10.059 -5.814 1.00 10.00 C ATOM 1009 CD1 PHE A 63 2.813 10.071 -5.651 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.708 10.409 -7.049 1.00 10.00 C ATOM 1011 CE1 PHE A 63 1.977 10.423 -6.685 1.00 10.00 C ATOM 1012 CE2 PHE A 63 3.876 10.761 -8.099 1.00 10.00 C ATOM 1013 CZ PHE A 63 2.504 10.769 -7.917 1.00 10.00 C ATOM 0 H PHE A 63 4.958 11.794 -3.357 1.00 10.00 H new ATOM 0 HA PHE A 63 3.398 9.661 -3.322 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.984 10.288 -4.715 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.425 8.633 -4.852 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.390 9.799 -4.695 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.778 10.407 -7.194 1.00 10.00 H new ATOM 0 HE1 PHE A 63 0.907 10.429 -6.535 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.297 11.028 -9.057 1.00 10.00 H new ATOM 0 HZ PHE A 63 1.849 11.043 -8.731 1.00 10.00 H new ATOM 1023 N LYS A 64 6.345 8.561 -2.150 1.00 10.00 N ATOM 1024 CA LYS A 64 6.947 7.430 -1.414 1.00 10.00 C ATOM 1025 C LYS A 64 8.412 7.688 -1.057 1.00 10.00 C ATOM 1026 O LYS A 64 8.788 8.811 -0.765 1.00 10.00 O ATOM 1027 CB LYS A 64 6.838 6.143 -2.240 1.00 10.00 C ATOM 1028 CG LYS A 64 7.385 6.266 -3.655 1.00 10.00 C ATOM 1029 CD LYS A 64 7.660 4.906 -4.273 1.00 10.00 C ATOM 1030 CE LYS A 64 7.050 4.807 -5.658 1.00 10.00 C ATOM 1031 NZ LYS A 64 7.449 3.557 -6.352 1.00 10.00 N ATOM 0 H LYS A 64 6.995 9.310 -2.388 1.00 10.00 H new ATOM 0 HA LYS A 64 6.392 7.320 -0.483 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.372 5.346 -1.723 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.791 5.844 -2.291 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.672 6.809 -4.275 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.305 6.851 -3.640 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.736 4.740 -4.332 1.00 10.00 H new ATOM 0 HD3 LYS A 64 7.251 4.123 -3.635 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.964 4.847 -5.580 1.00 10.00 H new ATOM 0 HE3 LYS A 64 7.359 5.667 -6.253 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 7.011 3.528 -7.295 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 8.484 3.530 -6.450 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 7.132 2.736 -5.798 1.00 10.00 H new ATOM 1045 N ARG A 65 9.235 6.626 -1.107 1.00 10.00 N ATOM 1046 CA ARG A 65 10.668 6.702 -0.776 1.00 10.00 C ATOM 1047 C ARG A 65 11.420 7.736 -1.614 1.00 10.00 C ATOM 1048 O ARG A 65 12.544 8.103 -1.288 1.00 10.00 O ATOM 1049 CB ARG A 65 11.337 5.328 -0.931 1.00 10.00 C ATOM 1050 CG ARG A 65 11.045 4.626 -2.251 1.00 10.00 C ATOM 1051 CD ARG A 65 11.201 3.113 -2.123 1.00 10.00 C ATOM 1052 NE ARG A 65 12.480 2.606 -2.655 1.00 10.00 N ATOM 1053 CZ ARG A 65 13.033 1.428 -2.300 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.442 0.657 -1.390 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.176 1.021 -2.864 1.00 10.00 N ATOM 0 H ARG A 65 8.926 5.692 -1.378 1.00 10.00 H new ATOM 0 HA ARG A 65 10.722 7.023 0.264 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.415 5.450 -0.830 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.011 4.685 -0.113 1.00 10.00 H new ATOM 0 HG2 ARG A 65 10.031 4.863 -2.574 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.721 4.999 -3.021 1.00 10.00 H new ATOM 0 HD2 ARG A 65 11.118 2.835 -1.072 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.380 2.625 -2.648 1.00 10.00 H new ATOM 0 HE ARG A 65 12.977 3.182 -3.334 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.568 0.956 -0.958 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.863 -0.233 -1.124 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.634 1.602 -3.566 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.590 0.129 -2.592 1.00 10.00 H new ATOM 1069 N GLU A 66 10.799 8.198 -2.687 1.00 10.00 N ATOM 1070 CA GLU A 66 11.403 9.204 -3.551 1.00 10.00 C ATOM 1071 C GLU A 66 11.189 10.594 -2.949 1.00 10.00 C ATOM 1072 O GLU A 66 11.484 11.610 -3.578 1.00 10.00 O ATOM 1073 CB GLU A 66 10.837 9.125 -4.982 1.00 10.00 C ATOM 1074 CG GLU A 66 11.206 7.841 -5.707 1.00 10.00 C ATOM 1075 CD GLU A 66 10.259 7.522 -6.849 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.360 8.169 -7.912 1.00 10.00 O ATOM 1077 OE2 GLU A 66 9.412 6.618 -6.690 1.00 10.00 O ATOM 0 H GLU A 66 9.872 7.892 -2.983 1.00 10.00 H new ATOM 0 HA GLU A 66 12.474 9.010 -3.618 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.751 9.211 -4.941 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.202 9.976 -5.557 1.00 10.00 H new ATOM 0 HG2 GLU A 66 12.221 7.926 -6.095 1.00 10.00 H new ATOM 0 HG3 GLU A 66 11.204 7.014 -4.997 1.00 10.00 H new ATOM 1084 N SER A 67 10.635 10.620 -1.735 1.00 10.00 N ATOM 1085 CA SER A 67 10.362 11.855 -1.020 1.00 10.00 C ATOM 1086 C SER A 67 11.674 12.509 -0.515 1.00 10.00 C ATOM 1087 O SER A 67 12.480 12.997 -1.306 1.00 10.00 O ATOM 1088 CB SER A 67 9.376 11.543 0.132 1.00 10.00 C ATOM 1089 OG SER A 67 9.441 12.471 1.202 1.00 10.00 O ATOM 0 H SER A 67 10.365 9.780 -1.224 1.00 10.00 H new ATOM 0 HA SER A 67 9.903 12.583 -1.688 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.361 11.528 -0.264 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.583 10.544 0.516 1.00 10.00 H new ATOM 0 HG SER A 67 9.512 11.987 2.051 1.00 10.00 H new ATOM 1095 N ASN A 68 11.880 12.509 0.791 1.00 10.00 N ATOM 1096 CA ASN A 68 13.056 13.121 1.398 1.00 10.00 C ATOM 1097 C ASN A 68 14.115 12.102 1.783 1.00 10.00 C ATOM 1098 O ASN A 68 15.211 12.093 1.227 1.00 10.00 O ATOM 1099 CB ASN A 68 12.652 13.910 2.643 1.00 10.00 C ATOM 1100 CG ASN A 68 12.656 15.407 2.419 1.00 10.00 C ATOM 1101 OD1 ASN A 68 11.622 16.004 2.120 1.00 10.00 O ATOM 1102 ND2 ASN A 68 13.818 16.025 2.562 1.00 10.00 N ATOM 0 H ASN A 68 11.239 12.086 1.462 1.00 10.00 H new ATOM 0 HA ASN A 68 13.487 13.783 0.647 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.656 13.598 2.958 1.00 10.00 H new ATOM 0 HB3 ASN A 68 13.334 13.668 3.458 1.00 10.00 H new ATOM 0 HD21 ASN A 68 13.880 17.034 2.423 1.00 10.00 H new ATOM 0 HD22 ASN A 68 14.652 15.492 2.811 1.00 10.00 H new ATOM 1109 N ASN A 69 13.787 11.241 2.738 1.00 10.00 N ATOM 1110 CA ASN A 69 14.744 10.258 3.226 1.00 10.00 C ATOM 1111 C ASN A 69 14.473 8.852 2.704 1.00 10.00 C ATOM 1112 O ASN A 69 15.232 8.331 1.888 1.00 10.00 O ATOM 1113 CB ASN A 69 14.749 10.236 4.757 1.00 10.00 C ATOM 1114 CG ASN A 69 15.703 9.197 5.320 1.00 10.00 C ATOM 1115 OD1 ASN A 69 16.793 8.975 4.791 1.00 10.00 O ATOM 1116 ND2 ASN A 69 15.293 8.550 6.398 1.00 10.00 N ATOM 0 H ASN A 69 12.872 11.204 3.187 1.00 10.00 H new ATOM 0 HA ASN A 69 15.719 10.565 2.848 1.00 10.00 H new ATOM 0 HB2 ASN A 69 15.028 11.221 5.131 1.00 10.00 H new ATOM 0 HB3 ASN A 69 13.741 10.032 5.118 1.00 10.00 H new ATOM 0 HD21 ASN A 69 15.887 7.837 6.822 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.383 8.764 6.806 1.00 10.00 H new ATOM 1123 N LYS A 70 13.400 8.231 3.176 1.00 10.00 N ATOM 1124 CA LYS A 70 13.102 6.865 2.771 1.00 10.00 C ATOM 1125 C LYS A 70 11.600 6.615 2.647 1.00 10.00 C ATOM 1126 O LYS A 70 11.178 5.554 2.194 1.00 10.00 O ATOM 1127 CB LYS A 70 13.713 5.901 3.794 1.00 10.00 C ATOM 1128 CG LYS A 70 13.846 4.465 3.301 1.00 10.00 C ATOM 1129 CD LYS A 70 15.016 4.300 2.342 1.00 10.00 C ATOM 1130 CE LYS A 70 16.350 4.463 3.052 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.493 4.323 2.116 1.00 10.00 N ATOM 0 H LYS A 70 12.732 8.643 3.828 1.00 10.00 H new ATOM 0 HA LYS A 70 13.535 6.699 1.785 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.699 6.268 4.078 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.099 5.908 4.695 1.00 10.00 H new ATOM 0 HG2 LYS A 70 13.979 3.799 4.154 1.00 10.00 H new ATOM 0 HG3 LYS A 70 12.924 4.165 2.803 1.00 10.00 H new ATOM 0 HD2 LYS A 70 14.969 3.316 1.876 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.937 5.035 1.541 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.390 5.441 3.531 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.434 3.718 3.843 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.385 4.440 2.637 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.470 3.380 1.678 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.426 5.050 1.376 1.00 10.00 H new ATOM 1145 N LEU A 71 10.795 7.590 3.029 1.00 10.00 N ATOM 1146 CA LEU A 71 9.350 7.434 2.966 1.00 10.00 C ATOM 1147 C LEU A 71 8.704 8.734 2.485 1.00 10.00 C ATOM 1148 O LEU A 71 9.404 9.552 1.925 1.00 10.00 O ATOM 1149 CB LEU A 71 8.857 7.004 4.342 1.00 10.00 C ATOM 1150 CG LEU A 71 7.812 5.893 4.331 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.657 6.266 5.222 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.325 5.604 2.917 1.00 10.00 C ATOM 0 H LEU A 71 11.112 8.492 3.384 1.00 10.00 H new ATOM 0 HA LEU A 71 9.068 6.665 2.246 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.712 6.673 4.931 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.437 7.873 4.849 1.00 10.00 H new ATOM 0 HG LEU A 71 8.277 4.984 4.712 1.00 10.00 H new ATOM 0 HD11 LEU A 71 5.915 5.468 5.209 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.016 6.411 6.241 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.203 7.189 4.862 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.581 4.808 2.944 1.00 10.00 H new ATOM 0 HD22 LEU A 71 6.878 6.504 2.495 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.167 5.293 2.299 1.00 10.00 H new ATOM 1164 N LEU A 72 7.394 8.941 2.757 1.00 10.00 N ATOM 1165 CA LEU A 72 6.662 10.130 2.267 1.00 10.00 C ATOM 1166 C LEU A 72 7.233 11.389 2.889 1.00 10.00 C ATOM 1167 O LEU A 72 8.259 11.382 3.572 1.00 10.00 O ATOM 1168 CB LEU A 72 5.164 10.002 2.539 1.00 10.00 C ATOM 1169 CG LEU A 72 4.580 8.622 2.235 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.418 7.837 3.503 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.243 8.721 1.539 1.00 10.00 C ATOM 0 H LEU A 72 6.825 8.301 3.312 1.00 10.00 H new ATOM 0 HA LEU A 72 6.790 10.197 1.187 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.976 10.239 3.586 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.635 10.746 1.944 1.00 10.00 H new ATOM 0 HG LEU A 72 5.278 8.114 1.569 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.001 6.856 3.273 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.389 7.715 3.982 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.745 8.368 4.176 1.00 10.00 H new ATOM 0 HD21 LEU A 72 2.861 7.720 1.340 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.540 9.258 2.176 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.362 9.257 0.598 1.00 10.00 H new ATOM 1183 N LYS A 73 6.519 12.485 2.646 1.00 10.00 N ATOM 1184 CA LYS A 73 6.809 13.731 3.325 1.00 10.00 C ATOM 1185 C LYS A 73 5.982 13.637 4.597 1.00 10.00 C ATOM 1186 O LYS A 73 4.771 13.782 4.536 1.00 10.00 O ATOM 1187 CB LYS A 73 6.402 15.023 2.577 1.00 10.00 C ATOM 1188 CG LYS A 73 6.330 14.954 1.059 1.00 10.00 C ATOM 1189 CD LYS A 73 7.628 14.507 0.419 1.00 10.00 C ATOM 1190 CE LYS A 73 8.763 15.505 0.601 1.00 10.00 C ATOM 1191 NZ LYS A 73 8.610 16.706 -0.262 1.00 10.00 N ATOM 0 H LYS A 73 5.742 12.530 1.987 1.00 10.00 H new ATOM 0 HA LYS A 73 7.888 13.824 3.449 1.00 10.00 H new ATOM 0 HB2 LYS A 73 5.425 15.335 2.948 1.00 10.00 H new ATOM 0 HB3 LYS A 73 7.110 15.807 2.846 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.535 14.267 0.770 1.00 10.00 H new ATOM 0 HG3 LYS A 73 6.060 15.936 0.670 1.00 10.00 H new ATOM 0 HD2 LYS A 73 7.924 13.549 0.845 1.00 10.00 H new ATOM 0 HD3 LYS A 73 7.463 14.345 -0.646 1.00 10.00 H new ATOM 0 HE2 LYS A 73 8.806 15.815 1.645 1.00 10.00 H new ATOM 0 HE3 LYS A 73 9.711 15.017 0.374 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 9.236 17.462 0.082 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 8.864 16.465 -1.241 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 7.623 17.032 -0.231 1.00 10.00 H new ATOM 1205 N GLU A 74 6.601 13.287 5.703 1.00 10.00 N ATOM 1206 CA GLU A 74 5.896 13.091 6.983 1.00 10.00 C ATOM 1207 C GLU A 74 4.928 14.203 7.416 1.00 10.00 C ATOM 1208 O GLU A 74 4.200 14.058 8.397 1.00 10.00 O ATOM 1209 CB GLU A 74 6.909 12.901 8.092 1.00 10.00 C ATOM 1210 CG GLU A 74 7.368 14.196 8.737 1.00 10.00 C ATOM 1211 CD GLU A 74 8.818 14.522 8.460 1.00 10.00 C ATOM 1212 OE1 GLU A 74 9.267 14.331 7.310 1.00 10.00 O ATOM 1213 OE2 GLU A 74 9.512 14.973 9.393 1.00 10.00 O ATOM 0 H GLU A 74 7.607 13.127 5.757 1.00 10.00 H new ATOM 0 HA GLU A 74 5.275 12.213 6.807 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.477 12.258 8.859 1.00 10.00 H new ATOM 0 HB3 GLU A 74 7.778 12.379 7.691 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.744 15.014 8.377 1.00 10.00 H new ATOM 0 HG3 GLU A 74 7.217 14.130 9.815 1.00 10.00 H new ATOM 1220 N ASN A 75 4.924 15.289 6.681 1.00 10.00 N ATOM 1221 CA ASN A 75 3.995 16.394 6.920 1.00 10.00 C ATOM 1222 C ASN A 75 2.914 16.436 5.829 1.00 10.00 C ATOM 1223 O ASN A 75 2.254 17.455 5.619 1.00 10.00 O ATOM 1224 CB ASN A 75 4.735 17.715 6.961 1.00 10.00 C ATOM 1225 CG ASN A 75 4.920 18.212 8.380 1.00 10.00 C ATOM 1226 OD1 ASN A 75 4.781 19.402 8.661 1.00 10.00 O ATOM 1227 ND2 ASN A 75 5.232 17.297 9.286 1.00 10.00 N ATOM 0 H ASN A 75 5.560 15.442 5.898 1.00 10.00 H new ATOM 0 HA ASN A 75 3.516 16.229 7.885 1.00 10.00 H new ATOM 0 HB2 ASN A 75 5.709 17.601 6.486 1.00 10.00 H new ATOM 0 HB3 ASN A 75 4.184 18.458 6.384 1.00 10.00 H new ATOM 0 HD21 ASN A 75 5.367 17.569 10.260 1.00 10.00 H new ATOM 0 HD22 ASN A 75 5.338 16.321 9.010 1.00 10.00 H new ATOM 1234 N ALA A 76 2.757 15.308 5.153 1.00 10.00 N ATOM 1235 CA ALA A 76 1.783 15.127 4.063 1.00 10.00 C ATOM 1236 C ALA A 76 1.197 13.729 4.134 1.00 10.00 C ATOM 1237 O ALA A 76 1.852 12.734 4.446 1.00 10.00 O ATOM 1238 CB ALA A 76 2.458 15.302 2.702 1.00 10.00 C ATOM 0 H ALA A 76 3.309 14.471 5.343 1.00 10.00 H new ATOM 0 HA ALA A 76 0.999 15.876 4.176 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.722 15.164 1.910 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.883 16.303 2.633 1.00 10.00 H new ATOM 0 HB3 ALA A 76 3.252 14.563 2.592 1.00 10.00 H new ATOM 1244 N VAL A 77 -0.098 13.737 3.814 1.00 10.00 N ATOM 1245 CA VAL A 77 -0.991 12.590 3.817 1.00 10.00 C ATOM 1246 C VAL A 77 -1.998 12.758 2.670 1.00 10.00 C ATOM 1247 O VAL A 77 -2.276 13.892 2.275 1.00 10.00 O ATOM 1248 CB VAL A 77 -1.739 12.542 5.193 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -1.860 13.935 5.798 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -3.126 11.912 5.091 1.00 10.00 C ATOM 0 H VAL A 77 -0.573 14.594 3.531 1.00 10.00 H new ATOM 0 HA VAL A 77 -0.436 11.662 3.679 1.00 10.00 H new ATOM 0 HB VAL A 77 -1.133 11.910 5.843 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -2.383 13.873 6.752 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -0.865 14.351 5.956 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -2.419 14.579 5.119 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -3.596 11.906 6.074 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -3.738 12.491 4.400 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.035 10.889 4.726 1.00 10.00 H new ATOM 1260 N PRO A 78 -2.504 11.644 2.090 1.00 10.00 N ATOM 1261 CA PRO A 78 -3.512 11.675 1.022 1.00 10.00 C ATOM 1262 C PRO A 78 -4.598 12.646 1.442 1.00 10.00 C ATOM 1263 O PRO A 78 -5.273 12.474 2.455 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.018 10.227 0.945 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.345 9.487 2.051 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.133 10.289 2.442 1.00 10.00 C ATOM 0 HA PRO A 78 -3.146 12.005 0.050 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.102 10.188 1.055 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.779 9.783 -0.021 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.018 9.366 2.900 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.058 8.487 1.727 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -1.914 10.195 3.506 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.243 9.962 1.903 1.00 10.00 H new ATOM 1274 N THR A 79 -4.753 13.661 0.613 1.00 10.00 N ATOM 1275 CA THR A 79 -5.765 14.677 0.790 1.00 10.00 C ATOM 1276 C THR A 79 -6.624 14.770 -0.477 1.00 10.00 C ATOM 1277 O THR A 79 -7.687 15.387 -0.485 1.00 10.00 O ATOM 1278 CB THR A 79 -5.130 16.049 1.114 1.00 10.00 C ATOM 1279 OG1 THR A 79 -6.043 16.862 1.865 1.00 10.00 O ATOM 1280 CG2 THR A 79 -4.716 16.786 -0.153 1.00 10.00 C ATOM 0 H THR A 79 -4.170 13.802 -0.212 1.00 10.00 H new ATOM 0 HA THR A 79 -6.395 14.397 1.635 1.00 10.00 H new ATOM 0 HB THR A 79 -4.237 15.861 1.710 1.00 10.00 H new ATOM 0 HG1 THR A 79 -5.625 17.726 2.063 1.00 10.00 H new ATOM 0 HG21 THR A 79 -4.274 17.746 0.113 1.00 10.00 H new ATOM 0 HG22 THR A 79 -3.986 16.189 -0.699 1.00 10.00 H new ATOM 0 HG23 THR A 79 -5.592 16.951 -0.780 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.161 14.112 -1.546 1.00 10.00 N ATOM 1289 CA ILE A 80 -6.822 14.171 -2.852 1.00 10.00 C ATOM 1290 C ILE A 80 -7.837 13.030 -3.001 1.00 10.00 C ATOM 1291 O ILE A 80 -8.387 12.820 -4.081 1.00 10.00 O ATOM 1292 CB ILE A 80 -5.795 14.059 -4.010 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.488 14.789 -3.660 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.393 14.589 -5.308 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.274 16.093 -4.404 1.00 10.00 C ATOM 0 H ILE A 80 -5.324 13.529 -1.530 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.330 15.134 -2.906 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.555 13.006 -4.154 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.476 14.991 -2.589 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -3.649 14.125 -3.869 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.659 14.503 -6.109 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.279 14.008 -5.564 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.669 15.636 -5.181 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.328 16.538 -4.094 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.250 15.900 -5.477 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.089 16.780 -4.177 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.054 12.289 -1.912 1.00 10.00 N ATOM 1308 CA PHE A 81 -8.958 11.127 -1.900 1.00 10.00 C ATOM 1309 C PHE A 81 -10.231 11.331 -2.712 1.00 10.00 C ATOM 1310 O PHE A 81 -10.585 10.466 -3.508 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.341 10.750 -0.467 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.411 9.766 0.206 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.349 9.184 -0.470 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.623 9.409 1.525 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.523 8.272 0.158 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -7.801 8.495 2.157 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.750 7.925 1.473 1.00 10.00 C ATOM 0 H PHE A 81 -7.610 12.474 -1.012 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.396 10.321 -2.371 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.380 11.659 0.134 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.347 10.329 -0.475 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.165 9.447 -1.501 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.444 9.851 2.070 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.698 7.830 -0.382 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -7.983 8.228 3.187 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.107 7.210 1.964 1.00 10.00 H new ATOM 1327 N LEU A 82 -10.909 12.455 -2.515 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.148 12.738 -3.235 1.00 10.00 C ATOM 1329 C LEU A 82 -12.616 14.154 -2.939 1.00 10.00 C ATOM 1330 O LEU A 82 -12.063 14.822 -2.065 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.241 11.745 -2.814 1.00 10.00 C ATOM 1332 CG LEU A 82 -13.769 10.780 -3.897 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.264 10.970 -4.088 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.055 10.950 -5.227 1.00 10.00 C ATOM 0 H LEU A 82 -10.623 13.186 -1.863 1.00 10.00 H new ATOM 0 HA LEU A 82 -11.958 12.637 -4.303 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -12.855 11.148 -1.988 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.086 12.315 -2.428 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.567 9.768 -3.545 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.623 10.283 -4.855 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.779 10.767 -3.149 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.464 11.996 -4.398 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.465 10.247 -5.953 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.196 11.969 -5.588 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -11.990 10.756 -5.096 1.00 10.00 H new