USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 424 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 7 CYS SG : rot 118:sc= -0.0624 USER MOD Set 1.2: A 28 CYS SG : rot 120:sc= -2.13! USER MOD Set 1.3: A 43 CYS SG : rot -20:sc= 1.24 USER MOD Set 2.1: A 36 CYS SG : rot 160:sc= -0.375 USER MOD Set 2.2: A 41 ASN : amide:sc= -1.29 K(o=-1.7,f=-3.2!) USER MOD Set 3.1: A 18 ASN : amide:sc= -0.298 K(o=-0.08,f=0.45) USER MOD Set 3.2: A 24 THR OG1 : rot 58:sc= 0.218 USER MOD Set 4.1: A 8 THR OG1 : rot -123:sc= 0.503 USER MOD Set 4.2: A 10 SER OG : rot 180:sc= 0.427 USER MOD Set 5.1: A 1 ALA N :NH3+ -112:sc= 0.0864 (180deg=0) USER MOD Set 5.2: A 47 THR OG1 : rot -76:sc= -3.9! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.48) USER MOD Single : A 14 CYS SG : rot -120:sc= -0.245 USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0106) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -2.69 K(o=-2.7,f=-3.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.423) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0275 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.799 K(o=-0.8,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.641 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0473 K(o=-0.047,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.0035) USER MOD Single : A 54 CYS SG : rot 120:sc= -0.502 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.806 -0.625 1.424 1.00 0.00 N ATOM 2 CA ALA A 1 -14.414 -0.129 0.111 1.00 0.00 C ATOM 3 C ALA A 1 -13.005 -0.586 -0.250 1.00 0.00 C ATOM 4 O ALA A 1 -12.420 -1.427 0.433 1.00 0.00 O ATOM 5 CB ALA A 1 -14.506 1.389 0.070 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.567 -1.326 1.317 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.987 -1.070 1.886 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.144 0.167 2.007 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.102 -0.543 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.210 1.745 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.531 1.697 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.842 1.814 0.823 1.00 0.00 H new ATOM 11 N LYS A 2 -12.466 -0.027 -1.328 1.00 0.00 N ATOM 12 CA LYS A 2 -11.124 -0.375 -1.781 1.00 0.00 C ATOM 13 C LYS A 2 -10.371 0.862 -2.256 1.00 0.00 C ATOM 14 O LYS A 2 -10.975 1.895 -2.547 1.00 0.00 O ATOM 15 CB LYS A 2 -11.196 -1.406 -2.911 1.00 0.00 C ATOM 16 CG LYS A 2 -11.573 -2.800 -2.440 1.00 0.00 C ATOM 17 CD LYS A 2 -13.067 -3.047 -2.566 1.00 0.00 C ATOM 18 CE LYS A 2 -13.357 -4.389 -3.220 1.00 0.00 C ATOM 19 NZ LYS A 2 -14.792 -4.525 -3.594 1.00 0.00 N ATOM 0 H LYS A 2 -12.938 0.669 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.584 -0.805 -0.938 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.924 -1.072 -3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.230 -1.450 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.030 -3.542 -3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.268 -2.929 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.527 -3.016 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.520 -2.249 -3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.738 -4.501 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.082 -5.193 -2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.949 -5.453 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.382 -4.444 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.048 -3.773 -4.265 1.00 0.00 H new ATOM 33 N TYR A 3 -9.050 0.752 -2.332 1.00 0.00 N ATOM 34 CA TYR A 3 -8.214 1.864 -2.771 1.00 0.00 C ATOM 35 C TYR A 3 -7.048 1.367 -3.621 1.00 0.00 C ATOM 36 O TYR A 3 -6.394 0.380 -3.283 1.00 0.00 O ATOM 37 CB TYR A 3 -7.685 2.639 -1.564 1.00 0.00 C ATOM 38 CG TYR A 3 -8.676 3.633 -1.000 1.00 0.00 C ATOM 39 CD1 TYR A 3 -9.638 3.239 -0.078 1.00 0.00 C ATOM 40 CD2 TYR A 3 -8.650 4.967 -1.390 1.00 0.00 C ATOM 41 CE1 TYR A 3 -10.546 4.143 0.438 1.00 0.00 C ATOM 42 CE2 TYR A 3 -9.553 5.879 -0.878 1.00 0.00 C ATOM 43 CZ TYR A 3 -10.499 5.462 0.036 1.00 0.00 C ATOM 44 OH TYR A 3 -11.401 6.365 0.548 1.00 0.00 O ATOM 0 H TYR A 3 -8.534 -0.096 -2.095 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.827 2.528 -3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -7.408 1.932 -0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.777 3.168 -1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.676 2.208 0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.911 5.296 -2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.289 3.819 1.152 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -9.519 6.912 -1.191 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.232 7.250 0.163 1.00 0.00 H new ATOM 54 N THR A 4 -6.794 2.059 -4.727 1.00 0.00 N ATOM 55 CA THR A 4 -5.708 1.690 -5.626 1.00 0.00 C ATOM 56 C THR A 4 -4.429 2.446 -5.284 1.00 0.00 C ATOM 57 O THR A 4 -4.418 3.675 -5.235 1.00 0.00 O ATOM 58 CB THR A 4 -6.077 1.967 -7.096 1.00 0.00 C ATOM 59 OG1 THR A 4 -7.378 1.442 -7.381 1.00 0.00 O ATOM 60 CG2 THR A 4 -5.057 1.345 -8.037 1.00 0.00 C ATOM 0 H THR A 4 -7.326 2.878 -5.022 1.00 0.00 H new ATOM 0 HA THR A 4 -5.540 0.621 -5.496 1.00 0.00 H new ATOM 0 HB THR A 4 -6.079 3.046 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.606 1.623 -8.317 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.339 1.554 -9.069 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.072 1.768 -7.837 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.027 0.267 -7.880 1.00 0.00 H new ATOM 68 N GLY A 5 -3.352 1.702 -5.049 1.00 0.00 N ATOM 69 CA GLY A 5 -2.082 2.321 -4.716 1.00 0.00 C ATOM 70 C GLY A 5 -0.902 1.417 -5.013 1.00 0.00 C ATOM 71 O GLY A 5 -1.031 0.192 -5.015 1.00 0.00 O ATOM 0 H GLY A 5 -3.336 0.683 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.975 3.249 -5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.076 2.586 -3.659 1.00 0.00 H new ATOM 75 N LYS A 6 0.254 2.021 -5.268 1.00 0.00 N ATOM 76 CA LYS A 6 1.463 1.264 -5.569 1.00 0.00 C ATOM 77 C LYS A 6 2.538 1.515 -4.517 1.00 0.00 C ATOM 78 O LYS A 6 2.399 2.402 -3.673 1.00 0.00 O ATOM 79 CB LYS A 6 1.993 1.640 -6.954 1.00 0.00 C ATOM 80 CG LYS A 6 0.898 1.892 -7.976 1.00 0.00 C ATOM 81 CD LYS A 6 0.493 3.356 -8.010 1.00 0.00 C ATOM 82 CE LYS A 6 0.995 4.046 -9.269 1.00 0.00 C ATOM 83 NZ LYS A 6 -0.109 4.328 -10.226 1.00 0.00 N ATOM 0 H LYS A 6 0.379 3.033 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 6 1.210 0.204 -5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.610 2.534 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.639 0.840 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.243 1.586 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.029 1.279 -7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.593 3.435 -7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.891 3.865 -7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.488 4.980 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.743 3.418 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.275 4.798 -11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.564 3.435 -10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.811 4.948 -9.773 1.00 0.00 H new ATOM 97 N CYS A 7 3.609 0.731 -4.572 1.00 0.00 N ATOM 98 CA CYS A 7 4.708 0.869 -3.624 1.00 0.00 C ATOM 99 C CYS A 7 6.055 0.772 -4.334 1.00 0.00 C ATOM 100 O CYS A 7 6.159 0.190 -5.415 1.00 0.00 O ATOM 101 CB CYS A 7 4.612 -0.205 -2.540 1.00 0.00 C ATOM 102 SG CYS A 7 3.061 -0.176 -1.610 1.00 0.00 S ATOM 0 H CYS A 7 3.739 -0.007 -5.264 1.00 0.00 H new ATOM 0 HA CYS A 7 4.632 1.852 -3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.728 -1.185 -3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.443 -0.081 -1.845 1.00 0.00 H new ATOM 0 HG CYS A 7 2.428 -1.298 -1.786 1.00 0.00 H new ATOM 108 N THR A 8 7.085 1.348 -3.721 1.00 0.00 N ATOM 109 CA THR A 8 8.424 1.329 -4.295 1.00 0.00 C ATOM 110 C THR A 8 9.320 0.333 -3.568 1.00 0.00 C ATOM 111 O THR A 8 9.199 0.142 -2.357 1.00 0.00 O ATOM 112 CB THR A 8 9.077 2.723 -4.244 1.00 0.00 C ATOM 113 OG1 THR A 8 10.452 2.635 -4.633 1.00 0.00 O ATOM 114 CG2 THR A 8 8.978 3.315 -2.846 1.00 0.00 C ATOM 0 H THR A 8 7.017 1.834 -2.827 1.00 0.00 H new ATOM 0 HA THR A 8 8.317 1.024 -5.336 1.00 0.00 H new ATOM 0 HB THR A 8 8.545 3.375 -4.937 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.018 2.996 -3.919 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.446 4.299 -2.834 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.929 3.408 -2.564 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.488 2.662 -2.138 1.00 0.00 H new ATOM 122 N LYS A 9 10.220 -0.299 -4.313 1.00 0.00 N ATOM 123 CA LYS A 9 11.140 -1.275 -3.738 1.00 0.00 C ATOM 124 C LYS A 9 11.971 -0.649 -2.623 1.00 0.00 C ATOM 125 O LYS A 9 12.445 -1.344 -1.725 1.00 0.00 O ATOM 126 CB LYS A 9 12.063 -1.836 -4.823 1.00 0.00 C ATOM 127 CG LYS A 9 12.689 -0.766 -5.701 1.00 0.00 C ATOM 128 CD LYS A 9 14.143 -1.079 -6.009 1.00 0.00 C ATOM 129 CE LYS A 9 14.276 -1.962 -7.240 1.00 0.00 C ATOM 130 NZ LYS A 9 15.262 -1.415 -8.213 1.00 0.00 N ATOM 0 H LYS A 9 10.333 -0.153 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 9 10.550 -2.088 -3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.856 -2.416 -4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.496 -2.524 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.128 -0.684 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.622 0.201 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.691 -0.150 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.598 -1.576 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.582 -2.963 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.304 -2.059 -7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.323 -2.046 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.957 -0.470 -8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.196 -1.346 -7.760 1.00 0.00 H new ATOM 144 N SER A 10 12.140 0.667 -2.686 1.00 0.00 N ATOM 145 CA SER A 10 12.916 1.386 -1.681 1.00 0.00 C ATOM 146 C SER A 10 12.005 1.963 -0.602 1.00 0.00 C ATOM 147 O SER A 10 12.400 2.854 0.151 1.00 0.00 O ATOM 148 CB SER A 10 13.722 2.510 -2.337 1.00 0.00 C ATOM 149 OG SER A 10 12.947 3.198 -3.301 1.00 0.00 O ATOM 0 H SER A 10 11.751 1.257 -3.421 1.00 0.00 H new ATOM 0 HA SER A 10 13.602 0.680 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.064 3.210 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.612 2.095 -2.810 1.00 0.00 H new ATOM 0 HG SER A 10 13.484 3.912 -3.704 1.00 0.00 H new ATOM 155 N LYS A 11 10.782 1.449 -0.532 1.00 0.00 N ATOM 156 CA LYS A 11 9.813 1.910 0.455 1.00 0.00 C ATOM 157 C LYS A 11 8.497 1.150 0.321 1.00 0.00 C ATOM 158 O LYS A 11 7.722 1.391 -0.604 1.00 0.00 O ATOM 159 CB LYS A 11 9.565 3.411 0.295 1.00 0.00 C ATOM 160 CG LYS A 11 9.950 4.226 1.519 1.00 0.00 C ATOM 161 CD LYS A 11 9.190 3.769 2.753 1.00 0.00 C ATOM 162 CE LYS A 11 10.117 3.120 3.769 1.00 0.00 C ATOM 163 NZ LYS A 11 9.380 2.216 4.694 1.00 0.00 N ATOM 0 H LYS A 11 10.438 0.712 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 11 10.224 1.720 1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.128 3.774 -0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.510 3.575 0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.022 4.135 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.746 5.281 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.688 4.622 3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.414 3.061 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.889 2.555 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.624 3.894 4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.047 1.793 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.660 2.760 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.917 1.462 4.147 1.00 0.00 H new ATOM 177 N ASN A 12 8.251 0.233 1.251 1.00 0.00 N ATOM 178 CA ASN A 12 7.028 -0.562 1.236 1.00 0.00 C ATOM 179 C ASN A 12 5.893 0.173 1.946 1.00 0.00 C ATOM 180 O ASN A 12 5.540 -0.156 3.077 1.00 0.00 O ATOM 181 CB ASN A 12 7.268 -1.917 1.904 1.00 0.00 C ATOM 182 CG ASN A 12 6.005 -2.754 1.982 1.00 0.00 C ATOM 183 OD1 ASN A 12 5.356 -3.015 0.969 1.00 0.00 O ATOM 184 ND2 ASN A 12 5.652 -3.179 3.189 1.00 0.00 N ATOM 0 H ASN A 12 8.882 0.022 2.024 1.00 0.00 H new ATOM 0 HA ASN A 12 6.741 -0.722 0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.029 -2.464 1.348 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.659 -1.760 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.812 -3.746 3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.221 -2.938 4.001 1.00 0.00 H new ATOM 191 N GLU A 13 5.329 1.169 1.271 1.00 0.00 N ATOM 192 CA GLU A 13 4.235 1.951 1.838 1.00 0.00 C ATOM 193 C GLU A 13 3.184 2.264 0.776 1.00 0.00 C ATOM 194 O GLU A 13 3.515 2.620 -0.355 1.00 0.00 O ATOM 195 CB GLU A 13 4.768 3.251 2.443 1.00 0.00 C ATOM 196 CG GLU A 13 5.479 4.143 1.439 1.00 0.00 C ATOM 197 CD GLU A 13 6.372 5.173 2.105 1.00 0.00 C ATOM 198 OE1 GLU A 13 6.281 5.326 3.342 1.00 0.00 O ATOM 199 OE2 GLU A 13 7.160 5.826 1.390 1.00 0.00 O ATOM 0 H GLU A 13 5.610 1.454 0.333 1.00 0.00 H new ATOM 0 HA GLU A 13 3.767 1.358 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.938 3.804 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.456 3.010 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.079 3.525 0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.738 4.653 0.823 1.00 0.00 H new ATOM 206 N CYS A 14 1.916 2.129 1.150 1.00 0.00 N ATOM 207 CA CYS A 14 0.816 2.396 0.230 1.00 0.00 C ATOM 208 C CYS A 14 0.613 3.896 0.047 1.00 0.00 C ATOM 209 O CYS A 14 0.083 4.574 0.927 1.00 0.00 O ATOM 210 CB CYS A 14 -0.474 1.753 0.745 1.00 0.00 C ATOM 211 SG CYS A 14 -1.697 1.418 -0.543 1.00 0.00 S ATOM 0 H CYS A 14 1.625 1.837 2.083 1.00 0.00 H new ATOM 0 HA CYS A 14 1.069 1.961 -0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.226 0.818 1.247 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.920 2.408 1.493 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.792 2.068 -0.281 1.00 0.00 H new ATOM 217 N LYS A 15 1.038 4.409 -1.103 1.00 0.00 N ATOM 218 CA LYS A 15 0.904 5.829 -1.404 1.00 0.00 C ATOM 219 C LYS A 15 -0.428 6.117 -2.090 1.00 0.00 C ATOM 220 O LYS A 15 -0.469 6.744 -3.148 1.00 0.00 O ATOM 221 CB LYS A 15 2.059 6.294 -2.294 1.00 0.00 C ATOM 222 CG LYS A 15 2.229 5.461 -3.553 1.00 0.00 C ATOM 223 CD LYS A 15 2.284 6.335 -4.796 1.00 0.00 C ATOM 224 CE LYS A 15 3.342 5.847 -5.774 1.00 0.00 C ATOM 225 NZ LYS A 15 4.719 6.161 -5.303 1.00 0.00 N ATOM 0 H LYS A 15 1.479 3.862 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 15 0.934 6.378 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.894 7.334 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.985 6.263 -1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.143 4.872 -3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.402 4.756 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.309 6.337 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.499 7.364 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.241 4.770 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.177 6.308 -6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.402 5.936 -6.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.783 7.172 -5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.935 5.594 -4.458 1.00 0.00 H new ATOM 239 N TYR A 16 -1.513 5.655 -1.479 1.00 0.00 N ATOM 240 CA TYR A 16 -2.847 5.863 -2.032 1.00 0.00 C ATOM 241 C TYR A 16 -3.408 7.216 -1.607 1.00 0.00 C ATOM 242 O TYR A 16 -2.763 7.967 -0.875 1.00 0.00 O ATOM 243 CB TYR A 16 -3.788 4.744 -1.582 1.00 0.00 C ATOM 244 CG TYR A 16 -4.216 4.858 -0.136 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.416 4.366 0.888 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.422 5.458 0.205 1.00 0.00 C ATOM 247 CE1 TYR A 16 -3.805 4.468 2.209 1.00 0.00 C ATOM 248 CE2 TYR A 16 -5.818 5.566 1.525 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.006 5.068 2.523 1.00 0.00 C ATOM 250 OH TYR A 16 -5.396 5.172 3.839 1.00 0.00 O ATOM 0 H TYR A 16 -1.496 5.135 -0.602 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.769 5.848 -3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.675 4.749 -2.216 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.295 3.784 -1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.474 3.896 0.647 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.061 5.847 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.171 4.080 2.993 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.757 6.037 1.774 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.266 5.621 3.888 1.00 0.00 H new ATOM 260 N LYS A 17 -4.615 7.520 -2.071 1.00 0.00 N ATOM 261 CA LYS A 17 -5.268 8.782 -1.739 1.00 0.00 C ATOM 262 C LYS A 17 -6.657 8.539 -1.160 1.00 0.00 C ATOM 263 O LYS A 17 -7.424 7.729 -1.678 1.00 0.00 O ATOM 264 CB LYS A 17 -5.369 9.670 -2.981 1.00 0.00 C ATOM 265 CG LYS A 17 -6.119 9.021 -4.132 1.00 0.00 C ATOM 266 CD LYS A 17 -5.792 9.689 -5.458 1.00 0.00 C ATOM 267 CE LYS A 17 -4.610 9.019 -6.142 1.00 0.00 C ATOM 268 NZ LYS A 17 -5.012 7.769 -6.845 1.00 0.00 N ATOM 0 H LYS A 17 -5.162 6.910 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.664 9.289 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.868 10.601 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.364 9.931 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.863 7.963 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.192 9.081 -3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.663 9.648 -6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.568 10.742 -5.291 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.164 9.711 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.844 8.789 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.179 7.342 -7.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.414 7.099 -6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.724 7.992 -7.569 1.00 0.00 H new ATOM 282 N ASN A 18 -6.976 9.249 -0.081 1.00 0.00 N ATOM 283 CA ASN A 18 -8.274 9.111 0.568 1.00 0.00 C ATOM 284 C ASN A 18 -9.024 10.440 0.573 1.00 0.00 C ATOM 285 O ASN A 18 -8.498 11.462 0.134 1.00 0.00 O ATOM 286 CB ASN A 18 -8.101 8.606 2.002 1.00 0.00 C ATOM 287 CG ASN A 18 -7.902 9.736 2.992 1.00 0.00 C ATOM 288 OD1 ASN A 18 -8.741 9.968 3.863 1.00 0.00 O ATOM 289 ND2 ASN A 18 -6.787 10.446 2.865 1.00 0.00 N ATOM 0 H ASN A 18 -6.353 9.925 0.361 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.859 8.385 0.003 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.978 8.026 2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.245 7.933 2.046 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.599 11.218 3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.119 10.219 2.129 1.00 0.00 H new ATOM 296 N ASP A 19 -10.254 10.417 1.073 1.00 0.00 N ATOM 297 CA ASP A 19 -11.077 11.619 1.137 1.00 0.00 C ATOM 298 C ASP A 19 -11.553 12.027 -0.254 1.00 0.00 C ATOM 299 O ASP A 19 -12.737 11.926 -0.570 1.00 0.00 O ATOM 300 CB ASP A 19 -10.292 12.765 1.777 1.00 0.00 C ATOM 301 CG ASP A 19 -11.199 13.834 2.357 1.00 0.00 C ATOM 302 OD1 ASP A 19 -12.432 13.711 2.207 1.00 0.00 O ATOM 303 OD2 ASP A 19 -10.673 14.795 2.958 1.00 0.00 O ATOM 0 H ASP A 19 -10.704 9.578 1.440 1.00 0.00 H new ATOM 0 HA ASP A 19 -11.951 11.399 1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.653 12.368 2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.637 13.214 1.031 1.00 0.00 H new ATOM 308 N ALA A 20 -10.620 12.490 -1.080 1.00 0.00 N ATOM 309 CA ALA A 20 -10.943 12.912 -2.437 1.00 0.00 C ATOM 310 C ALA A 20 -9.689 13.333 -3.196 1.00 0.00 C ATOM 311 O ALA A 20 -9.702 14.310 -3.943 1.00 0.00 O ATOM 312 CB ALA A 20 -11.952 14.051 -2.410 1.00 0.00 C ATOM 0 H ALA A 20 -9.635 12.582 -0.833 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.383 12.062 -2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.184 14.356 -3.430 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.864 13.718 -1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.532 14.896 -1.865 1.00 0.00 H new ATOM 318 N GLY A 21 -8.605 12.589 -2.996 1.00 0.00 N ATOM 319 CA GLY A 21 -7.357 12.902 -3.668 1.00 0.00 C ATOM 320 C GLY A 21 -6.275 13.346 -2.703 1.00 0.00 C ATOM 321 O GLY A 21 -5.251 13.891 -3.114 1.00 0.00 O ATOM 0 H GLY A 21 -8.569 11.776 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.013 12.025 -4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.530 13.689 -4.402 1.00 0.00 H new ATOM 325 N LYS A 22 -6.502 13.113 -1.414 1.00 0.00 N ATOM 326 CA LYS A 22 -5.539 13.492 -0.387 1.00 0.00 C ATOM 327 C LYS A 22 -4.436 12.447 -0.262 1.00 0.00 C ATOM 328 O LYS A 22 -4.693 11.300 0.105 1.00 0.00 O ATOM 329 CB LYS A 22 -6.244 13.669 0.961 1.00 0.00 C ATOM 330 CG LYS A 22 -6.991 14.985 1.087 1.00 0.00 C ATOM 331 CD LYS A 22 -6.174 16.019 1.845 1.00 0.00 C ATOM 332 CE LYS A 22 -6.840 17.387 1.815 1.00 0.00 C ATOM 333 NZ LYS A 22 -5.908 18.448 1.346 1.00 0.00 N ATOM 0 H LYS A 22 -7.345 12.663 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.086 14.439 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.945 12.847 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.505 13.602 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.230 15.365 0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.938 14.819 1.601 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.047 15.697 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.178 16.088 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.710 17.353 1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.202 17.637 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.400 19.364 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.089 18.499 1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.582 18.224 0.384 1.00 0.00 H new ATOM 347 N ASP A 23 -3.208 12.850 -0.569 1.00 0.00 N ATOM 348 CA ASP A 23 -2.064 11.948 -0.488 1.00 0.00 C ATOM 349 C ASP A 23 -2.004 11.268 0.875 1.00 0.00 C ATOM 350 O ASP A 23 -2.038 11.930 1.914 1.00 0.00 O ATOM 351 CB ASP A 23 -0.765 12.713 -0.749 1.00 0.00 C ATOM 352 CG ASP A 23 -0.281 12.560 -2.177 1.00 0.00 C ATOM 353 OD1 ASP A 23 0.264 11.486 -2.509 1.00 0.00 O ATOM 354 OD2 ASP A 23 -0.449 13.515 -2.965 1.00 0.00 O ATOM 0 H ASP A 23 -2.979 13.795 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.183 11.180 -1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.919 13.770 -0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.007 12.357 -0.067 1.00 0.00 H new ATOM 359 N THR A 24 -1.914 9.941 0.867 1.00 0.00 N ATOM 360 CA THR A 24 -1.851 9.171 2.102 1.00 0.00 C ATOM 361 C THR A 24 -0.804 8.067 2.009 1.00 0.00 C ATOM 362 O THR A 24 -0.746 7.335 1.021 1.00 0.00 O ATOM 363 CB THR A 24 -3.215 8.541 2.442 1.00 0.00 C ATOM 364 OG1 THR A 24 -4.197 9.569 2.625 1.00 0.00 O ATOM 365 CG2 THR A 24 -3.121 7.694 3.701 1.00 0.00 C ATOM 0 H THR A 24 -1.883 9.378 0.017 1.00 0.00 H new ATOM 0 HA THR A 24 -1.573 9.867 2.894 1.00 0.00 H new ATOM 0 HB THR A 24 -3.511 7.899 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.254 10.115 1.813 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.096 7.260 3.921 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.394 6.896 3.549 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.805 8.318 4.537 1.00 0.00 H new ATOM 373 N PHE A 25 0.020 7.951 3.044 1.00 0.00 N ATOM 374 CA PHE A 25 1.066 6.935 3.078 1.00 0.00 C ATOM 375 C PHE A 25 0.999 6.128 4.372 1.00 0.00 C ATOM 376 O PHE A 25 0.556 6.629 5.406 1.00 0.00 O ATOM 377 CB PHE A 25 2.444 7.587 2.942 1.00 0.00 C ATOM 378 CG PHE A 25 2.608 8.386 1.681 1.00 0.00 C ATOM 379 CD1 PHE A 25 2.072 9.660 1.579 1.00 0.00 C ATOM 380 CD2 PHE A 25 3.297 7.863 0.598 1.00 0.00 C ATOM 381 CE1 PHE A 25 2.220 10.397 0.419 1.00 0.00 C ATOM 382 CE2 PHE A 25 3.448 8.596 -0.563 1.00 0.00 C ATOM 383 CZ PHE A 25 2.910 9.865 -0.653 1.00 0.00 C ATOM 0 H PHE A 25 -0.016 8.548 3.871 1.00 0.00 H new ATOM 0 HA PHE A 25 0.907 6.258 2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.615 8.238 3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.209 6.811 2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.533 10.081 2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.720 6.872 0.663 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.796 11.388 0.351 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.987 8.177 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.029 10.440 -1.559 1.00 0.00 H new ATOM 393 N ILE A 26 1.440 4.876 4.304 1.00 0.00 N ATOM 394 CA ILE A 26 1.429 4.001 5.470 1.00 0.00 C ATOM 395 C ILE A 26 2.121 2.676 5.166 1.00 0.00 C ATOM 396 O ILE A 26 1.731 1.954 4.247 1.00 0.00 O ATOM 397 CB ILE A 26 -0.006 3.719 5.950 1.00 0.00 C ATOM 398 CG1 ILE A 26 0.009 2.758 7.140 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.844 3.149 4.814 1.00 0.00 C ATOM 400 CD1 ILE A 26 0.811 3.268 8.318 1.00 0.00 C ATOM 0 H ILE A 26 1.809 4.446 3.456 1.00 0.00 H new ATOM 0 HA ILE A 26 1.971 4.520 6.260 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.455 4.659 6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.016 2.574 7.461 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.419 1.801 6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.856 2.955 5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.879 3.865 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.398 2.218 4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.778 2.536 9.125 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.846 3.425 8.013 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.388 4.210 8.666 1.00 0.00 H new ATOM 412 N LYS A 27 3.148 2.358 5.947 1.00 0.00 N ATOM 413 CA LYS A 27 3.894 1.119 5.765 1.00 0.00 C ATOM 414 C LYS A 27 2.990 -0.094 5.965 1.00 0.00 C ATOM 415 O LYS A 27 2.480 -0.324 7.062 1.00 0.00 O ATOM 416 CB LYS A 27 5.070 1.059 6.743 1.00 0.00 C ATOM 417 CG LYS A 27 4.666 1.269 8.193 1.00 0.00 C ATOM 418 CD LYS A 27 4.887 0.014 9.021 1.00 0.00 C ATOM 419 CE LYS A 27 3.824 -0.139 10.097 1.00 0.00 C ATOM 420 NZ LYS A 27 4.377 -0.742 11.341 1.00 0.00 N ATOM 0 H LYS A 27 3.483 2.942 6.713 1.00 0.00 H new ATOM 0 HA LYS A 27 4.277 1.101 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.562 0.091 6.648 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.802 1.817 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.242 2.092 8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.616 1.557 8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.875 -0.860 8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.873 0.052 9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.396 0.837 10.326 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.013 -0.763 9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.621 -0.830 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.763 -1.684 11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.134 -0.134 11.715 1.00 0.00 H new ATOM 434 N CYS A 28 2.798 -0.865 4.901 1.00 0.00 N ATOM 435 CA CYS A 28 1.956 -2.054 4.960 1.00 0.00 C ATOM 436 C CYS A 28 2.607 -3.139 5.811 1.00 0.00 C ATOM 437 O CYS A 28 3.829 -3.204 5.951 1.00 0.00 O ATOM 438 CB CYS A 28 1.688 -2.586 3.552 1.00 0.00 C ATOM 439 SG CYS A 28 1.172 -1.317 2.370 1.00 0.00 S ATOM 0 H CYS A 28 3.214 -0.688 3.987 1.00 0.00 H new ATOM 0 HA CYS A 28 1.008 -1.775 5.421 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.591 -3.069 3.179 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.916 -3.353 3.606 1.00 0.00 H new ATOM 0 HG CYS A 28 2.025 -1.264 1.390 1.00 0.00 H new ATOM 445 N PRO A 29 1.774 -4.013 6.396 1.00 0.00 N ATOM 446 CA PRO A 29 2.247 -5.111 7.244 1.00 0.00 C ATOM 447 C PRO A 29 2.974 -6.189 6.447 1.00 0.00 C ATOM 448 O PRO A 29 2.408 -7.238 6.142 1.00 0.00 O ATOM 449 CB PRO A 29 0.957 -5.672 7.849 1.00 0.00 C ATOM 450 CG PRO A 29 -0.107 -5.313 6.871 1.00 0.00 C ATOM 451 CD PRO A 29 0.307 -3.997 6.273 1.00 0.00 C ATOM 0 HA PRO A 29 2.970 -4.771 7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.021 -6.751 7.986 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.757 -5.237 8.829 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.204 -6.078 6.101 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.077 -5.231 7.362 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.008 -3.911 5.233 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.132 -3.156 6.810 1.00 0.00 H new ATOM 459 N LYS A 30 4.232 -5.922 6.111 1.00 0.00 N ATOM 460 CA LYS A 30 5.038 -6.868 5.351 1.00 0.00 C ATOM 461 C LYS A 30 6.493 -6.835 5.808 1.00 0.00 C ATOM 462 O LYS A 30 7.377 -6.403 5.067 1.00 0.00 O ATOM 463 CB LYS A 30 4.956 -6.554 3.855 1.00 0.00 C ATOM 464 CG LYS A 30 3.546 -6.629 3.295 1.00 0.00 C ATOM 465 CD LYS A 30 3.030 -8.059 3.271 1.00 0.00 C ATOM 466 CE LYS A 30 1.531 -8.115 3.521 1.00 0.00 C ATOM 467 NZ LYS A 30 1.140 -9.341 4.268 1.00 0.00 N ATOM 0 H LYS A 30 4.715 -5.057 6.354 1.00 0.00 H new ATOM 0 HA LYS A 30 4.642 -7.868 5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.355 -5.555 3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.592 -7.252 3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.881 -6.011 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.533 -6.219 2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.256 -8.512 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.548 -8.647 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.223 -7.233 4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.002 -8.086 2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.111 -9.342 4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.411 -10.182 3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.625 -9.356 5.188 1.00 0.00 H new ATOM 481 N PHE A 31 6.735 -7.294 7.031 1.00 0.00 N ATOM 482 CA PHE A 31 8.083 -7.317 7.587 1.00 0.00 C ATOM 483 C PHE A 31 8.670 -8.725 7.533 1.00 0.00 C ATOM 484 O PHE A 31 8.221 -9.623 8.246 1.00 0.00 O ATOM 485 CB PHE A 31 8.071 -6.812 9.031 1.00 0.00 C ATOM 486 CG PHE A 31 6.878 -7.275 9.818 1.00 0.00 C ATOM 487 CD1 PHE A 31 5.712 -6.528 9.839 1.00 0.00 C ATOM 488 CD2 PHE A 31 6.924 -8.458 10.538 1.00 0.00 C ATOM 489 CE1 PHE A 31 4.613 -6.952 10.561 1.00 0.00 C ATOM 490 CE2 PHE A 31 5.829 -8.887 11.262 1.00 0.00 C ATOM 491 CZ PHE A 31 4.671 -8.132 11.275 1.00 0.00 C ATOM 0 H PHE A 31 6.015 -7.655 7.657 1.00 0.00 H new ATOM 0 HA PHE A 31 8.709 -6.658 6.985 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.979 -7.147 9.532 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.093 -5.722 9.027 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.661 -5.603 9.284 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.826 -9.051 10.533 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.709 -6.361 10.567 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.877 -9.812 11.818 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.814 -8.464 11.842 1.00 0.00 H new ATOM 501 N ASP A 32 9.674 -8.909 6.684 1.00 0.00 N ATOM 502 CA ASP A 32 10.323 -10.206 6.537 1.00 0.00 C ATOM 503 C ASP A 32 9.295 -11.302 6.271 1.00 0.00 C ATOM 504 O ASP A 32 9.059 -12.163 7.117 1.00 0.00 O ATOM 505 CB ASP A 32 11.132 -10.541 7.791 1.00 0.00 C ATOM 506 CG ASP A 32 11.789 -9.318 8.400 1.00 0.00 C ATOM 507 OD1 ASP A 32 12.806 -8.853 7.846 1.00 0.00 O ATOM 508 OD2 ASP A 32 11.284 -8.825 9.430 1.00 0.00 O ATOM 0 H ASP A 32 10.057 -8.176 6.087 1.00 0.00 H new ATOM 0 HA ASP A 32 10.998 -10.152 5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.477 -11.004 8.529 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.898 -11.275 7.540 1.00 0.00 H new ATOM 513 N ASN A 33 8.685 -11.261 5.091 1.00 0.00 N ATOM 514 CA ASN A 33 7.680 -12.248 4.715 1.00 0.00 C ATOM 515 C ASN A 33 7.170 -11.993 3.300 1.00 0.00 C ATOM 516 O ASN A 33 7.079 -12.913 2.486 1.00 0.00 O ATOM 517 CB ASN A 33 6.513 -12.221 5.703 1.00 0.00 C ATOM 518 CG ASN A 33 5.348 -13.076 5.246 1.00 0.00 C ATOM 519 OD1 ASN A 33 4.215 -12.603 5.152 1.00 0.00 O ATOM 520 ND2 ASN A 33 5.621 -14.344 4.959 1.00 0.00 N ATOM 0 H ASN A 33 8.869 -10.555 4.379 1.00 0.00 H new ATOM 0 HA ASN A 33 8.146 -13.233 4.742 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.857 -12.571 6.676 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.176 -11.193 5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.877 -14.968 4.647 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.575 -14.694 5.051 1.00 0.00 H new ATOM 527 N LYS A 34 6.837 -10.740 3.014 1.00 0.00 N ATOM 528 CA LYS A 34 6.336 -10.361 1.698 1.00 0.00 C ATOM 529 C LYS A 34 6.534 -8.869 1.449 1.00 0.00 C ATOM 530 O LYS A 34 5.574 -8.140 1.195 1.00 0.00 O ATOM 531 CB LYS A 34 4.854 -10.720 1.571 1.00 0.00 C ATOM 532 CG LYS A 34 4.609 -12.155 1.142 1.00 0.00 C ATOM 533 CD LYS A 34 4.055 -12.991 2.282 1.00 0.00 C ATOM 534 CE LYS A 34 3.092 -14.055 1.777 1.00 0.00 C ATOM 535 NZ LYS A 34 1.741 -13.915 2.388 1.00 0.00 N ATOM 0 H LYS A 34 6.905 -9.968 3.677 1.00 0.00 H new ATOM 0 HA LYS A 34 6.902 -10.914 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.364 -10.548 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.387 -10.050 0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.911 -12.171 0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.542 -12.594 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.876 -13.467 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.543 -12.344 2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.009 -13.985 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.492 -15.044 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.114 -14.658 2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.816 -14.007 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.348 -12.982 2.152 1.00 0.00 H new ATOM 549 N LYS A 35 7.782 -8.422 1.522 1.00 0.00 N ATOM 550 CA LYS A 35 8.107 -7.017 1.302 1.00 0.00 C ATOM 551 C LYS A 35 8.146 -6.695 -0.189 1.00 0.00 C ATOM 552 O LYS A 35 8.410 -7.569 -1.016 1.00 0.00 O ATOM 553 CB LYS A 35 9.452 -6.677 1.945 1.00 0.00 C ATOM 554 CG LYS A 35 9.613 -7.230 3.349 1.00 0.00 C ATOM 555 CD LYS A 35 10.695 -8.296 3.409 1.00 0.00 C ATOM 556 CE LYS A 35 11.976 -7.757 4.026 1.00 0.00 C ATOM 557 NZ LYS A 35 13.001 -8.823 4.197 1.00 0.00 N ATOM 0 H LYS A 35 8.587 -9.012 1.732 1.00 0.00 H new ATOM 0 HA LYS A 35 7.328 -6.412 1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.254 -7.065 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.567 -5.593 1.975 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.862 -6.419 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.666 -7.652 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.338 -9.145 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.901 -8.664 2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.378 -6.965 3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.752 -7.310 4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.501 -8.683 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.537 -9.754 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.683 -8.778 3.413 1.00 0.00 H new ATOM 571 N CYS A 36 7.886 -5.437 -0.525 1.00 0.00 N ATOM 572 CA CYS A 36 7.893 -4.999 -1.916 1.00 0.00 C ATOM 573 C CYS A 36 9.193 -5.401 -2.605 1.00 0.00 C ATOM 574 O CYS A 36 10.278 -5.262 -2.039 1.00 0.00 O ATOM 575 CB CYS A 36 7.706 -3.484 -1.997 1.00 0.00 C ATOM 576 SG CYS A 36 7.863 -2.808 -3.666 1.00 0.00 S ATOM 0 H CYS A 36 7.668 -4.702 0.147 1.00 0.00 H new ATOM 0 HA CYS A 36 7.064 -5.487 -2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.722 -3.229 -1.605 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.441 -3.003 -1.351 1.00 0.00 H new ATOM 0 HG CYS A 36 7.289 -1.643 -3.718 1.00 0.00 H new ATOM 582 N THR A 37 9.076 -5.903 -3.831 1.00 0.00 N ATOM 583 CA THR A 37 10.242 -6.327 -4.597 1.00 0.00 C ATOM 584 C THR A 37 10.130 -5.892 -6.053 1.00 0.00 C ATOM 585 O THR A 37 10.389 -6.675 -6.968 1.00 0.00 O ATOM 586 CB THR A 37 10.423 -7.855 -4.542 1.00 0.00 C ATOM 587 OG1 THR A 37 9.350 -8.501 -5.236 1.00 0.00 O ATOM 588 CG2 THR A 37 10.470 -8.343 -3.102 1.00 0.00 C ATOM 0 H THR A 37 8.186 -6.026 -4.314 1.00 0.00 H new ATOM 0 HA THR A 37 11.110 -5.849 -4.144 1.00 0.00 H new ATOM 0 HB THR A 37 11.368 -8.104 -5.024 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.474 -9.472 -5.198 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.598 -9.425 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.306 -7.872 -2.585 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.539 -8.082 -2.599 1.00 0.00 H new ATOM 596 N LYS A 38 9.746 -4.637 -6.264 1.00 0.00 N ATOM 597 CA LYS A 38 9.603 -4.096 -7.610 1.00 0.00 C ATOM 598 C LYS A 38 9.240 -2.615 -7.565 1.00 0.00 C ATOM 599 O LYS A 38 8.727 -2.122 -6.560 1.00 0.00 O ATOM 600 CB LYS A 38 8.532 -4.871 -8.382 1.00 0.00 C ATOM 601 CG LYS A 38 8.945 -5.232 -9.798 1.00 0.00 C ATOM 602 CD LYS A 38 8.385 -4.249 -10.811 1.00 0.00 C ATOM 603 CE LYS A 38 7.385 -4.917 -11.742 1.00 0.00 C ATOM 604 NZ LYS A 38 5.980 -4.680 -11.311 1.00 0.00 N ATOM 0 H LYS A 38 9.528 -3.975 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 38 10.560 -4.203 -8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.294 -5.785 -7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.620 -4.275 -8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.033 -5.247 -9.868 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.596 -6.237 -10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.902 -3.423 -10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.200 -3.824 -11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.523 -4.538 -12.755 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.579 -5.989 -11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.330 -5.152 -11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.841 -5.064 -10.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.786 -3.658 -11.305 1.00 0.00 H new ATOM 618 N ASP A 39 9.510 -1.911 -8.659 1.00 0.00 N ATOM 619 CA ASP A 39 9.210 -0.487 -8.744 1.00 0.00 C ATOM 620 C ASP A 39 7.723 -0.259 -9.001 1.00 0.00 C ATOM 621 O ASP A 39 7.183 -0.702 -10.014 1.00 0.00 O ATOM 622 CB ASP A 39 10.036 0.165 -9.855 1.00 0.00 C ATOM 623 CG ASP A 39 11.413 0.586 -9.379 1.00 0.00 C ATOM 624 OD1 ASP A 39 11.540 1.711 -8.851 1.00 0.00 O ATOM 625 OD2 ASP A 39 12.363 -0.209 -9.535 1.00 0.00 O ATOM 0 H ASP A 39 9.936 -2.303 -9.499 1.00 0.00 H new ATOM 0 HA ASP A 39 9.471 -0.029 -7.790 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.139 -0.534 -10.685 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.504 1.037 -10.236 1.00 0.00 H new ATOM 630 N ASN A 40 7.067 0.433 -8.076 1.00 0.00 N ATOM 631 CA ASN A 40 5.643 0.718 -8.201 1.00 0.00 C ATOM 632 C ASN A 40 4.835 -0.573 -8.285 1.00 0.00 C ATOM 633 O ASN A 40 4.081 -0.784 -9.234 1.00 0.00 O ATOM 634 CB ASN A 40 5.380 1.580 -9.438 1.00 0.00 C ATOM 635 CG ASN A 40 5.587 3.057 -9.168 1.00 0.00 C ATOM 636 OD1 ASN A 40 4.773 3.892 -9.564 1.00 0.00 O ATOM 637 ND2 ASN A 40 6.680 3.388 -8.490 1.00 0.00 N ATOM 0 H ASN A 40 7.499 0.807 -7.231 1.00 0.00 H new ATOM 0 HA ASN A 40 5.328 1.265 -7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.042 1.265 -10.245 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.359 1.416 -9.781 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.872 4.367 -8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.328 2.663 -8.181 1.00 0.00 H new ATOM 644 N ASN A 41 4.999 -1.434 -7.286 1.00 0.00 N ATOM 645 CA ASN A 41 4.284 -2.705 -7.246 1.00 0.00 C ATOM 646 C ASN A 41 2.776 -2.480 -7.212 1.00 0.00 C ATOM 647 O ASN A 41 2.296 -1.372 -7.450 1.00 0.00 O ATOM 648 CB ASN A 41 4.719 -3.520 -6.027 1.00 0.00 C ATOM 649 CG ASN A 41 5.176 -4.917 -6.399 1.00 0.00 C ATOM 650 OD1 ASN A 41 4.612 -5.550 -7.292 1.00 0.00 O ATOM 651 ND2 ASN A 41 6.202 -5.406 -5.713 1.00 0.00 N ATOM 0 H ASN A 41 5.621 -1.275 -6.493 1.00 0.00 H new ATOM 0 HA ASN A 41 4.529 -3.261 -8.151 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.529 -3.000 -5.516 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.889 -3.587 -5.323 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.553 -6.342 -5.918 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.639 -4.846 -4.981 1.00 0.00 H new ATOM 658 N LYS A 42 2.033 -3.540 -6.911 1.00 0.00 N ATOM 659 CA LYS A 42 0.578 -3.461 -6.844 1.00 0.00 C ATOM 660 C LYS A 42 0.089 -3.673 -5.415 1.00 0.00 C ATOM 661 O LYS A 42 0.227 -4.763 -4.857 1.00 0.00 O ATOM 662 CB LYS A 42 -0.054 -4.500 -7.771 1.00 0.00 C ATOM 663 CG LYS A 42 -1.282 -3.992 -8.507 1.00 0.00 C ATOM 664 CD LYS A 42 -1.555 -4.802 -9.763 1.00 0.00 C ATOM 665 CE LYS A 42 -2.389 -6.037 -9.459 1.00 0.00 C ATOM 666 NZ LYS A 42 -3.152 -6.499 -10.651 1.00 0.00 N ATOM 0 H LYS A 42 2.415 -4.464 -6.710 1.00 0.00 H new ATOM 0 HA LYS A 42 0.277 -2.465 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.689 -4.823 -8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.329 -5.377 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.148 -4.040 -7.847 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.141 -2.944 -8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.075 -4.181 -10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.610 -5.102 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.737 -6.839 -9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.082 -5.816 -8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.707 -7.342 -10.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.793 -5.743 -10.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.490 -6.734 -11.417 1.00 0.00 H new ATOM 680 N CYS A 43 -0.484 -2.628 -4.828 1.00 0.00 N ATOM 681 CA CYS A 43 -0.995 -2.702 -3.464 1.00 0.00 C ATOM 682 C CYS A 43 -2.504 -2.484 -3.437 1.00 0.00 C ATOM 683 O CYS A 43 -3.159 -2.465 -4.480 1.00 0.00 O ATOM 684 CB CYS A 43 -0.302 -1.664 -2.581 1.00 0.00 C ATOM 685 SG CYS A 43 0.230 -2.298 -0.973 1.00 0.00 S ATOM 0 H CYS A 43 -0.606 -1.720 -5.275 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.783 -3.698 -3.076 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.567 -1.274 -3.111 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.981 -0.826 -2.422 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.431 -3.382 -0.694 1.00 0.00 H new ATOM 691 N THR A 44 -3.052 -2.323 -2.235 1.00 0.00 N ATOM 692 CA THR A 44 -4.485 -2.111 -2.071 1.00 0.00 C ATOM 693 C THR A 44 -4.843 -1.890 -0.606 1.00 0.00 C ATOM 694 O THR A 44 -4.114 -2.310 0.292 1.00 0.00 O ATOM 695 CB THR A 44 -5.295 -3.302 -2.613 1.00 0.00 C ATOM 696 OG1 THR A 44 -4.435 -4.431 -2.811 1.00 0.00 O ATOM 697 CG2 THR A 44 -5.977 -2.943 -3.924 1.00 0.00 C ATOM 0 H THR A 44 -2.525 -2.336 -1.362 1.00 0.00 H new ATOM 0 HA THR A 44 -4.740 -1.219 -2.643 1.00 0.00 H new ATOM 0 HB THR A 44 -6.062 -3.553 -1.880 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.959 -5.185 -3.155 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.543 -3.801 -4.287 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.653 -2.103 -3.764 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.224 -2.667 -4.662 1.00 0.00 H new ATOM 705 N VAL A 45 -5.972 -1.229 -0.371 1.00 0.00 N ATOM 706 CA VAL A 45 -6.428 -0.955 0.986 1.00 0.00 C ATOM 707 C VAL A 45 -7.950 -0.883 1.050 1.00 0.00 C ATOM 708 O VAL A 45 -8.598 -0.397 0.123 1.00 0.00 O ATOM 709 CB VAL A 45 -5.840 0.364 1.520 1.00 0.00 C ATOM 710 CG1 VAL A 45 -6.371 0.660 2.915 1.00 0.00 C ATOM 711 CG2 VAL A 45 -4.320 0.308 1.521 1.00 0.00 C ATOM 0 H VAL A 45 -6.587 -0.874 -1.103 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.079 -1.778 1.610 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.151 1.173 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.944 1.596 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.457 0.746 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.093 -0.150 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.922 1.249 1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.987 -0.511 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.961 0.147 0.504 1.00 0.00 H new ATOM 721 N ASP A 46 -8.515 -1.367 2.151 1.00 0.00 N ATOM 722 CA ASP A 46 -9.960 -1.357 2.337 1.00 0.00 C ATOM 723 C ASP A 46 -10.349 -0.477 3.521 1.00 0.00 C ATOM 724 O ASP A 46 -9.795 -0.607 4.614 1.00 0.00 O ATOM 725 CB ASP A 46 -10.479 -2.779 2.551 1.00 0.00 C ATOM 726 CG ASP A 46 -10.730 -3.507 1.245 1.00 0.00 C ATOM 727 OD1 ASP A 46 -9.815 -3.532 0.394 1.00 0.00 O ATOM 728 OD2 ASP A 46 -11.839 -4.052 1.073 1.00 0.00 O ATOM 0 H ASP A 46 -7.993 -1.771 2.928 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.414 -0.945 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.757 -3.341 3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.404 -2.742 3.127 1.00 0.00 H new ATOM 733 N THR A 47 -11.305 0.419 3.297 1.00 0.00 N ATOM 734 CA THR A 47 -11.766 1.322 4.345 1.00 0.00 C ATOM 735 C THR A 47 -12.623 0.586 5.367 1.00 0.00 C ATOM 736 O THR A 47 -12.819 1.062 6.486 1.00 0.00 O ATOM 737 CB THR A 47 -12.578 2.493 3.759 1.00 0.00 C ATOM 738 OG1 THR A 47 -13.031 2.164 2.441 1.00 0.00 O ATOM 739 CG2 THR A 47 -11.741 3.762 3.712 1.00 0.00 C ATOM 0 H THR A 47 -11.775 0.539 2.400 1.00 0.00 H new ATOM 0 HA THR A 47 -10.877 1.716 4.837 1.00 0.00 H new ATOM 0 HB THR A 47 -13.438 2.669 4.405 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.285 2.239 1.810 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.335 4.575 3.295 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.423 4.026 4.721 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.864 3.596 3.087 1.00 0.00 H new ATOM 747 N TYR A 48 -13.130 -0.579 4.978 1.00 0.00 N ATOM 748 CA TYR A 48 -13.969 -1.381 5.862 1.00 0.00 C ATOM 749 C TYR A 48 -13.289 -1.594 7.212 1.00 0.00 C ATOM 750 O TYR A 48 -13.860 -1.295 8.260 1.00 0.00 O ATOM 751 CB TYR A 48 -14.280 -2.732 5.217 1.00 0.00 C ATOM 752 CG TYR A 48 -15.364 -3.509 5.930 1.00 0.00 C ATOM 753 CD1 TYR A 48 -15.141 -4.052 7.190 1.00 0.00 C ATOM 754 CD2 TYR A 48 -16.609 -3.701 5.344 1.00 0.00 C ATOM 755 CE1 TYR A 48 -16.128 -4.762 7.845 1.00 0.00 C ATOM 756 CE2 TYR A 48 -17.601 -4.409 5.994 1.00 0.00 C ATOM 757 CZ TYR A 48 -17.356 -4.938 7.244 1.00 0.00 C ATOM 758 OH TYR A 48 -18.342 -5.646 7.893 1.00 0.00 O ATOM 0 H TYR A 48 -12.975 -0.989 4.057 1.00 0.00 H new ATOM 0 HA TYR A 48 -14.901 -0.841 6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.582 -2.570 4.182 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -13.370 -3.332 5.194 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.180 -3.916 7.664 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -16.804 -3.290 4.365 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.939 -5.177 8.824 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -18.564 -4.548 5.526 1.00 0.00 H new ATOM 0 HH TYR A 48 -19.146 -5.676 7.333 1.00 0.00 H new ATOM 768 N ASN A 49 -12.066 -2.112 7.176 1.00 0.00 N ATOM 769 CA ASN A 49 -11.307 -2.366 8.395 1.00 0.00 C ATOM 770 C ASN A 49 -9.808 -2.269 8.133 1.00 0.00 C ATOM 771 O ASN A 49 -9.023 -3.052 8.665 1.00 0.00 O ATOM 772 CB ASN A 49 -11.651 -3.747 8.956 1.00 0.00 C ATOM 773 CG ASN A 49 -11.369 -4.859 7.965 1.00 0.00 C ATOM 774 OD1 ASN A 49 -12.035 -4.973 6.935 1.00 0.00 O ATOM 775 ND2 ASN A 49 -10.378 -5.688 8.272 1.00 0.00 N ATOM 0 H ASN A 49 -11.579 -2.364 6.316 1.00 0.00 H new ATOM 0 HA ASN A 49 -11.579 -1.606 9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.076 -3.920 9.866 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.704 -3.771 9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.143 -6.456 7.644 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.852 -5.556 9.136 1.00 0.00 H new ATOM 782 N ASN A 50 -9.417 -1.303 7.308 1.00 0.00 N ATOM 783 CA ASN A 50 -8.012 -1.103 6.974 1.00 0.00 C ATOM 784 C ASN A 50 -7.369 -2.411 6.523 1.00 0.00 C ATOM 785 O ASN A 50 -6.350 -2.833 7.066 1.00 0.00 O ATOM 786 CB ASN A 50 -7.256 -0.540 8.179 1.00 0.00 C ATOM 787 CG ASN A 50 -6.117 0.375 7.771 1.00 0.00 C ATOM 788 OD1 ASN A 50 -4.959 0.135 8.112 1.00 0.00 O ATOM 789 ND2 ASN A 50 -6.442 1.432 7.035 1.00 0.00 N ATOM 0 H ASN A 50 -10.054 -0.646 6.858 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.957 -0.389 6.152 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.950 0.009 8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.862 -1.364 8.774 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.718 2.083 6.730 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.415 1.593 6.775 1.00 0.00 H new ATOM 796 N ALA A 51 -7.974 -3.047 5.525 1.00 0.00 N ATOM 797 CA ALA A 51 -7.459 -4.305 4.998 1.00 0.00 C ATOM 798 C ALA A 51 -6.484 -4.062 3.851 1.00 0.00 C ATOM 799 O ALA A 51 -6.877 -4.016 2.686 1.00 0.00 O ATOM 800 CB ALA A 51 -8.606 -5.192 4.538 1.00 0.00 C ATOM 0 H ALA A 51 -8.821 -2.712 5.065 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.919 -4.812 5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.208 -6.128 4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.264 -5.402 5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.169 -4.682 3.756 1.00 0.00 H new ATOM 806 N VAL A 52 -5.207 -3.907 4.190 1.00 0.00 N ATOM 807 CA VAL A 52 -4.174 -3.668 3.189 1.00 0.00 C ATOM 808 C VAL A 52 -3.709 -4.976 2.557 1.00 0.00 C ATOM 809 O VAL A 52 -3.580 -5.995 3.236 1.00 0.00 O ATOM 810 CB VAL A 52 -2.959 -2.944 3.797 1.00 0.00 C ATOM 811 CG1 VAL A 52 -1.982 -2.530 2.706 1.00 0.00 C ATOM 812 CG2 VAL A 52 -3.408 -1.738 4.606 1.00 0.00 C ATOM 0 H VAL A 52 -4.864 -3.943 5.150 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.618 -3.034 2.421 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.446 -3.633 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.130 -2.020 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.635 -3.415 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.480 -1.858 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.536 -1.238 5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.945 -1.045 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.065 -2.065 5.412 1.00 0.00 H new ATOM 822 N ASP A 53 -3.458 -4.940 1.253 1.00 0.00 N ATOM 823 CA ASP A 53 -3.005 -6.122 0.529 1.00 0.00 C ATOM 824 C ASP A 53 -1.740 -5.820 -0.269 1.00 0.00 C ATOM 825 O ASP A 53 -1.632 -4.770 -0.904 1.00 0.00 O ATOM 826 CB ASP A 53 -4.105 -6.626 -0.407 1.00 0.00 C ATOM 827 CG ASP A 53 -5.097 -7.530 0.299 1.00 0.00 C ATOM 828 OD1 ASP A 53 -4.658 -8.521 0.920 1.00 0.00 O ATOM 829 OD2 ASP A 53 -6.310 -7.247 0.232 1.00 0.00 O ATOM 0 H ASP A 53 -3.561 -4.105 0.676 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.776 -6.898 1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.634 -5.774 -0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.652 -7.167 -1.237 1.00 0.00 H new ATOM 834 N CYS A 54 -0.788 -6.744 -0.231 1.00 0.00 N ATOM 835 CA CYS A 54 0.470 -6.576 -0.950 1.00 0.00 C ATOM 836 C CYS A 54 0.429 -7.292 -2.296 1.00 0.00 C ATOM 837 O CYS A 54 -0.345 -8.231 -2.487 1.00 0.00 O ATOM 838 CB CYS A 54 1.635 -7.107 -0.112 1.00 0.00 C ATOM 839 SG CYS A 54 1.716 -8.910 -0.019 1.00 0.00 S ATOM 0 H CYS A 54 -0.863 -7.618 0.290 1.00 0.00 H new ATOM 0 HA CYS A 54 0.616 -5.511 -1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 54 2.569 -6.733 -0.531 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.555 -6.705 0.898 1.00 0.00 H new ATOM 0 HG CYS A 54 2.848 -9.319 -0.510 1.00 0.00 H new ATOM 845 N ASP A 55 1.264 -6.843 -3.225 1.00 0.00 N ATOM 846 CA ASP A 55 1.322 -7.441 -4.554 1.00 0.00 C ATOM 847 C ASP A 55 1.508 -8.952 -4.463 1.00 0.00 C ATOM 848 O ASP A 55 0.619 -9.720 -4.831 1.00 0.00 O ATOM 849 CB ASP A 55 2.462 -6.822 -5.366 1.00 0.00 C ATOM 850 CG ASP A 55 2.439 -7.254 -6.819 1.00 0.00 C ATOM 851 OD1 ASP A 55 1.432 -6.978 -7.504 1.00 0.00 O ATOM 852 OD2 ASP A 55 3.429 -7.866 -7.270 1.00 0.00 O ATOM 0 H ASP A 55 1.910 -6.067 -3.083 1.00 0.00 H new ATOM 0 HA ASP A 55 0.376 -7.239 -5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.394 -5.735 -5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.416 -7.104 -4.921 1.00 0.00 H new TER 857 ASP A 55