USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 380 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 Single : A 1 GLY N :NH3+ -157:sc= 0 (180deg=-0.0359) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-0.93) USER MOD Single : A 9 SER OG : rot -36:sc= 0.465 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.485 K(o=-0.49,f=-3.6!) USER MOD Single : A 18 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.4!) USER MOD Single : A 19 TYR OH : rot -77:sc= 0.641 USER MOD Single : A 21 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.23) USER MOD Single : B 1 PHE N :NH3+ -151:sc= -0.731! (180deg=-1.76!) USER MOD Single : B 3 ASN : amide:sc= -4.45! C(o=-4.4!,f=-5.8!) USER MOD Single : B 4 GLN : amide:sc= -0.0292 X(o=-0.029,f=-0.27) USER MOD Single : B 5 HIS : no HD1:sc= -8.78! C(o=-8.8!,f=-6.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 155:sc= -3.8! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0599 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.538 3.760 2.362 1.00 0.00 N ATOM 2 CA GLY A 1 -5.876 2.508 2.938 1.00 0.00 C ATOM 3 C GLY A 1 -4.836 1.797 2.138 1.00 0.00 C ATOM 4 O GLY A 1 -3.852 1.316 2.666 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.918 4.340 3.137 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.834 4.311 1.830 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.312 3.482 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.424 2.785 3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.667 1.791 3.158 1.00 0.00 H new ATOM 10 N LEU A 2 -5.023 1.712 0.850 1.00 0.00 N ATOM 11 CA LEU A 2 -4.022 1.015 -0.006 1.00 0.00 C ATOM 12 C LEU A 2 -3.470 1.995 -1.042 1.00 0.00 C ATOM 13 O LEU A 2 -2.284 2.033 -1.304 1.00 0.00 O ATOM 14 CB LEU A 2 -4.691 -0.161 -0.721 1.00 0.00 C ATOM 15 CG LEU A 2 -4.442 -1.447 0.067 1.00 0.00 C ATOM 16 CD1 LEU A 2 -2.936 -1.684 0.194 1.00 0.00 C ATOM 17 CD2 LEU A 2 -5.055 -1.315 1.463 1.00 0.00 C ATOM 0 H LEU A 2 -5.827 2.096 0.353 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.207 0.644 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -5.762 0.019 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.294 -0.259 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.900 -2.287 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -2.758 -2.601 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.497 -1.776 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.478 -0.844 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.878 -2.231 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.596 -0.475 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.128 -1.145 1.375 1.00 0.00 H new ATOM 29 N LEU A 3 -4.319 2.793 -1.629 1.00 0.00 N ATOM 30 CA LEU A 3 -3.840 3.776 -2.641 1.00 0.00 C ATOM 31 C LEU A 3 -3.682 5.137 -1.977 1.00 0.00 C ATOM 32 O LEU A 3 -2.679 5.804 -2.120 1.00 0.00 O ATOM 33 CB LEU A 3 -4.855 3.880 -3.781 1.00 0.00 C ATOM 34 CG LEU A 3 -5.519 2.521 -3.999 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.707 2.681 -4.950 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.506 1.551 -4.611 1.00 0.00 C ATOM 0 H LEU A 3 -5.323 2.807 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.882 3.447 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.609 4.631 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.359 4.205 -4.695 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.867 2.129 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.181 1.712 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.429 3.373 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.358 3.072 -5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.979 0.581 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.159 1.943 -5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.658 1.437 -3.936 1.00 0.00 H new ATOM 48 N GLU A 4 -4.668 5.546 -1.242 1.00 0.00 N ATOM 49 CA GLU A 4 -4.587 6.863 -0.552 1.00 0.00 C ATOM 50 C GLU A 4 -3.200 7.013 0.077 1.00 0.00 C ATOM 51 O GLU A 4 -2.698 8.106 0.244 1.00 0.00 O ATOM 52 CB GLU A 4 -5.655 6.934 0.542 1.00 0.00 C ATOM 53 CG GLU A 4 -5.921 8.396 0.902 1.00 0.00 C ATOM 54 CD GLU A 4 -5.649 8.613 2.391 1.00 0.00 C ATOM 55 OE1 GLU A 4 -4.487 8.677 2.758 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.607 8.712 3.140 1.00 0.00 O ATOM 0 H GLU A 4 -5.532 5.027 -1.086 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.754 7.666 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.574 6.460 0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.324 6.386 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.284 9.050 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.953 8.657 0.668 1.00 0.00 H new ATOM 63 N GLN A 5 -2.577 5.920 0.427 1.00 0.00 N ATOM 64 CA GLN A 5 -1.224 5.997 1.045 1.00 0.00 C ATOM 65 C GLN A 5 -0.161 5.552 0.039 1.00 0.00 C ATOM 66 O GLN A 5 0.768 6.274 -0.264 1.00 0.00 O ATOM 67 CB GLN A 5 -1.174 5.088 2.275 1.00 0.00 C ATOM 68 CG GLN A 5 -0.366 5.771 3.379 1.00 0.00 C ATOM 69 CD GLN A 5 -1.130 5.681 4.701 1.00 0.00 C ATOM 70 OE1 GLN A 5 -0.894 4.791 5.493 1.00 0.00 O ATOM 71 NE2 GLN A 5 -2.044 6.571 4.972 1.00 0.00 N ATOM 0 H GLN A 5 -2.948 4.977 0.311 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.025 7.027 1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.184 4.877 2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.720 4.131 2.016 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.610 5.295 3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.187 6.815 3.121 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.242 7.318 4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.561 6.520 5.850 1.00 0.00 H new ATOM 80 N CYS A 6 -0.291 4.362 -0.463 1.00 0.00 N ATOM 81 CA CYS A 6 0.711 3.841 -1.439 1.00 0.00 C ATOM 82 C CYS A 6 0.586 4.580 -2.774 1.00 0.00 C ATOM 83 O CYS A 6 1.515 4.630 -3.554 1.00 0.00 O ATOM 84 CB CYS A 6 0.473 2.345 -1.659 1.00 0.00 C ATOM 85 SG CYS A 6 0.161 1.545 -0.067 1.00 0.00 S ATOM 0 H CYS A 6 -1.051 3.720 -0.241 1.00 0.00 H new ATOM 0 HA CYS A 6 1.713 4.002 -1.040 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.376 2.195 -2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.341 1.895 -2.141 1.00 0.00 H new ATOM 90 N CYS A 7 -0.551 5.159 -3.046 1.00 0.00 N ATOM 91 CA CYS A 7 -0.721 5.896 -4.329 1.00 0.00 C ATOM 92 C CYS A 7 -0.534 7.390 -4.073 1.00 0.00 C ATOM 93 O CYS A 7 0.307 8.033 -4.669 1.00 0.00 O ATOM 94 CB CYS A 7 -2.123 5.647 -4.889 1.00 0.00 C ATOM 95 SG CYS A 7 -2.309 6.525 -6.460 1.00 0.00 S ATOM 0 H CYS A 7 -1.368 5.154 -2.436 1.00 0.00 H new ATOM 0 HA CYS A 7 0.018 5.547 -5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.283 4.579 -5.036 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.876 5.988 -4.178 1.00 0.00 H new ATOM 100 N HIS A 8 -1.309 7.946 -3.185 1.00 0.00 N ATOM 101 CA HIS A 8 -1.170 9.396 -2.886 1.00 0.00 C ATOM 102 C HIS A 8 0.306 9.712 -2.645 1.00 0.00 C ATOM 103 O HIS A 8 0.753 10.828 -2.821 1.00 0.00 O ATOM 104 CB HIS A 8 -1.980 9.738 -1.634 1.00 0.00 C ATOM 105 CG HIS A 8 -2.223 11.220 -1.585 1.00 0.00 C ATOM 106 ND1 HIS A 8 -1.235 12.099 -1.194 1.00 0.00 N ATOM 107 CD2 HIS A 8 -3.335 11.960 -1.880 1.00 0.00 C ATOM 108 CE1 HIS A 8 -1.765 13.328 -1.262 1.00 0.00 C ATOM 109 NE2 HIS A 8 -3.049 13.292 -1.677 1.00 0.00 N ATOM 0 H HIS A 8 -2.031 7.459 -2.654 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.541 9.986 -3.725 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.930 9.203 -1.645 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.443 9.417 -0.741 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.282 11.565 -2.217 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.231 14.234 -1.016 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.676 14.085 -1.812 1.00 0.00 H new ATOM 117 N SER A 9 1.065 8.730 -2.246 1.00 0.00 N ATOM 118 CA SER A 9 2.516 8.953 -1.994 1.00 0.00 C ATOM 119 C SER A 9 3.260 7.629 -2.170 1.00 0.00 C ATOM 120 O SER A 9 2.898 6.810 -2.992 1.00 0.00 O ATOM 121 CB SER A 9 2.711 9.465 -0.567 1.00 0.00 C ATOM 122 OG SER A 9 2.580 8.381 0.343 1.00 0.00 O ATOM 0 H SER A 9 0.741 7.777 -2.083 1.00 0.00 H new ATOM 0 HA SER A 9 2.906 9.690 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.694 9.924 -0.464 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.974 10.236 -0.341 1.00 0.00 H new ATOM 0 HG SER A 9 1.888 7.766 0.022 1.00 0.00 H new ATOM 128 N ILE A 10 4.292 7.405 -1.405 1.00 0.00 N ATOM 129 CA ILE A 10 5.045 6.127 -1.534 1.00 0.00 C ATOM 130 C ILE A 10 4.644 5.187 -0.395 1.00 0.00 C ATOM 131 O ILE A 10 4.339 5.618 0.699 1.00 0.00 O ATOM 132 CB ILE A 10 6.546 6.408 -1.458 1.00 0.00 C ATOM 133 CG1 ILE A 10 6.992 7.135 -2.730 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.305 5.086 -1.334 1.00 0.00 C ATOM 135 CD1 ILE A 10 7.119 8.633 -2.445 1.00 0.00 C ATOM 0 H ILE A 10 4.646 8.050 -0.698 1.00 0.00 H new ATOM 0 HA ILE A 10 4.812 5.662 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 10 6.757 7.031 -0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.947 6.737 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.271 6.966 -3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.375 5.285 -1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.986 4.567 -0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.095 4.463 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.436 9.150 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.154 9.025 -2.123 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.857 8.792 -1.659 1.00 0.00 H new ATOM 147 N CYS A 11 4.641 3.905 -0.643 1.00 0.00 N ATOM 148 CA CYS A 11 4.259 2.941 0.429 1.00 0.00 C ATOM 149 C CYS A 11 5.480 2.106 0.818 1.00 0.00 C ATOM 150 O CYS A 11 6.558 2.280 0.285 1.00 0.00 O ATOM 151 CB CYS A 11 3.150 2.019 -0.083 1.00 0.00 C ATOM 152 SG CYS A 11 1.751 2.061 1.066 1.00 0.00 S ATOM 0 H CYS A 11 4.886 3.484 -1.539 1.00 0.00 H new ATOM 0 HA CYS A 11 3.899 3.488 1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.829 2.335 -1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.525 1.000 -0.179 1.00 0.00 H new ATOM 157 N SER A 12 5.322 1.199 1.742 1.00 0.00 N ATOM 158 CA SER A 12 6.477 0.355 2.161 1.00 0.00 C ATOM 159 C SER A 12 6.200 -1.104 1.795 1.00 0.00 C ATOM 160 O SER A 12 5.176 -1.659 2.146 1.00 0.00 O ATOM 161 CB SER A 12 6.677 0.471 3.672 1.00 0.00 C ATOM 162 OG SER A 12 5.459 0.882 4.278 1.00 0.00 O ATOM 0 H SER A 12 4.444 1.006 2.225 1.00 0.00 H new ATOM 0 HA SER A 12 7.378 0.695 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.995 -0.487 4.083 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.466 1.190 3.892 1.00 0.00 H new ATOM 0 HG SER A 12 5.584 0.955 5.247 1.00 0.00 H new ATOM 168 N LEU A 13 7.102 -1.731 1.092 1.00 0.00 N ATOM 169 CA LEU A 13 6.886 -3.154 0.707 1.00 0.00 C ATOM 170 C LEU A 13 6.643 -3.988 1.966 1.00 0.00 C ATOM 171 O LEU A 13 5.919 -4.964 1.945 1.00 0.00 O ATOM 172 CB LEU A 13 8.123 -3.680 -0.024 1.00 0.00 C ATOM 173 CG LEU A 13 7.707 -4.784 -0.996 1.00 0.00 C ATOM 174 CD1 LEU A 13 7.047 -4.158 -2.227 1.00 0.00 C ATOM 175 CD2 LEU A 13 8.942 -5.577 -1.426 1.00 0.00 C ATOM 0 H LEU A 13 7.978 -1.321 0.768 1.00 0.00 H new ATOM 0 HA LEU A 13 6.020 -3.226 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.612 -2.869 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.847 -4.066 0.694 1.00 0.00 H new ATOM 0 HG LEU A 13 6.999 -5.453 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.750 -4.945 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.166 -3.594 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.754 -3.489 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.646 -6.364 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.650 -4.909 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.411 -6.023 -0.549 1.00 0.00 H new ATOM 187 N TYR A 14 7.241 -3.612 3.063 1.00 0.00 N ATOM 188 CA TYR A 14 7.042 -4.384 4.322 1.00 0.00 C ATOM 189 C TYR A 14 5.580 -4.292 4.749 1.00 0.00 C ATOM 190 O TYR A 14 4.929 -5.285 5.004 1.00 0.00 O ATOM 191 CB TYR A 14 7.931 -3.805 5.424 1.00 0.00 C ATOM 192 CG TYR A 14 7.940 -4.740 6.608 1.00 0.00 C ATOM 193 CD1 TYR A 14 8.117 -6.117 6.411 1.00 0.00 C ATOM 194 CD2 TYR A 14 7.772 -4.234 7.904 1.00 0.00 C ATOM 195 CE1 TYR A 14 8.127 -6.986 7.510 1.00 0.00 C ATOM 196 CE2 TYR A 14 7.781 -5.104 9.002 1.00 0.00 C ATOM 197 CZ TYR A 14 7.957 -6.479 8.805 1.00 0.00 C ATOM 198 OH TYR A 14 7.966 -7.336 9.888 1.00 0.00 O ATOM 0 H TYR A 14 7.858 -2.804 3.142 1.00 0.00 H new ATOM 0 HA TYR A 14 7.307 -5.428 4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.945 -3.664 5.051 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.563 -2.824 5.725 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.246 -6.508 5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.636 -3.174 8.056 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.266 -8.046 7.359 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.652 -4.714 10.001 1.00 0.00 H new ATOM 0 HH TYR A 14 7.836 -6.823 10.713 1.00 0.00 H new ATOM 208 N GLN A 15 5.065 -3.104 4.827 1.00 0.00 N ATOM 209 CA GLN A 15 3.643 -2.929 5.237 1.00 0.00 C ATOM 210 C GLN A 15 2.727 -3.295 4.070 1.00 0.00 C ATOM 211 O GLN A 15 1.547 -3.532 4.243 1.00 0.00 O ATOM 212 CB GLN A 15 3.403 -1.471 5.638 1.00 0.00 C ATOM 213 CG GLN A 15 2.638 -1.424 6.961 1.00 0.00 C ATOM 214 CD GLN A 15 1.567 -0.334 6.894 1.00 0.00 C ATOM 215 OE1 GLN A 15 1.393 0.300 5.873 1.00 0.00 O ATOM 216 NE2 GLN A 15 0.838 -0.086 7.948 1.00 0.00 N ATOM 0 H GLN A 15 5.567 -2.239 4.624 1.00 0.00 H new ATOM 0 HA GLN A 15 3.427 -3.579 6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.355 -0.949 5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.837 -0.957 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.176 -2.391 7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.325 -1.223 7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.984 -0.618 8.806 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.122 0.640 7.914 1.00 0.00 H new ATOM 225 N LEU A 16 3.261 -3.354 2.883 1.00 0.00 N ATOM 226 CA LEU A 16 2.424 -3.714 1.708 1.00 0.00 C ATOM 227 C LEU A 16 2.186 -5.220 1.714 1.00 0.00 C ATOM 228 O LEU A 16 1.240 -5.716 1.134 1.00 0.00 O ATOM 229 CB LEU A 16 3.151 -3.318 0.422 1.00 0.00 C ATOM 230 CG LEU A 16 2.346 -3.793 -0.787 1.00 0.00 C ATOM 231 CD1 LEU A 16 2.218 -2.650 -1.793 1.00 0.00 C ATOM 232 CD2 LEU A 16 3.065 -4.973 -1.445 1.00 0.00 C ATOM 0 H LEU A 16 4.242 -3.168 2.676 1.00 0.00 H new ATOM 0 HA LEU A 16 1.471 -3.188 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.281 -2.236 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.148 -3.759 0.405 1.00 0.00 H new ATOM 0 HG LEU A 16 1.353 -4.106 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.644 -2.987 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.708 -1.808 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.211 -2.338 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.492 -5.313 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.057 -4.659 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.158 -5.788 -0.727 1.00 0.00 H new ATOM 244 N GLU A 17 3.040 -5.952 2.372 1.00 0.00 N ATOM 245 CA GLU A 17 2.871 -7.427 2.421 1.00 0.00 C ATOM 246 C GLU A 17 1.675 -7.770 3.313 1.00 0.00 C ATOM 247 O GLU A 17 1.179 -8.879 3.302 1.00 0.00 O ATOM 248 CB GLU A 17 4.137 -8.067 2.993 1.00 0.00 C ATOM 249 CG GLU A 17 4.265 -9.498 2.470 1.00 0.00 C ATOM 250 CD GLU A 17 3.791 -10.478 3.544 1.00 0.00 C ATOM 251 OE1 GLU A 17 3.522 -10.032 4.648 1.00 0.00 O ATOM 252 OE2 GLU A 17 3.705 -11.658 3.247 1.00 0.00 O ATOM 0 H GLU A 17 3.848 -5.590 2.878 1.00 0.00 H new ATOM 0 HA GLU A 17 2.696 -7.809 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.013 -7.484 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.096 -8.069 4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.671 -9.620 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.301 -9.708 2.203 1.00 0.00 H new ATOM 259 N ASN A 18 1.211 -6.826 4.087 1.00 0.00 N ATOM 260 CA ASN A 18 0.049 -7.099 4.979 1.00 0.00 C ATOM 261 C ASN A 18 -1.237 -7.145 4.149 1.00 0.00 C ATOM 262 O ASN A 18 -2.308 -7.400 4.664 1.00 0.00 O ATOM 263 CB ASN A 18 -0.062 -5.990 6.028 1.00 0.00 C ATOM 264 CG ASN A 18 0.082 -6.592 7.426 1.00 0.00 C ATOM 265 OD1 ASN A 18 -0.306 -7.719 7.659 1.00 0.00 O ATOM 266 ND2 ASN A 18 0.629 -5.883 8.375 1.00 0.00 N ATOM 0 H ASN A 18 1.586 -5.879 4.140 1.00 0.00 H new ATOM 0 HA ASN A 18 0.194 -8.058 5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.711 -5.240 5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.023 -5.483 5.936 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.730 -6.275 9.311 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.955 -4.936 8.181 1.00 0.00 H new ATOM 273 N TYR A 19 -1.142 -6.904 2.870 1.00 0.00 N ATOM 274 CA TYR A 19 -2.363 -6.938 2.016 1.00 0.00 C ATOM 275 C TYR A 19 -2.398 -8.250 1.235 1.00 0.00 C ATOM 276 O TYR A 19 -3.068 -8.369 0.228 1.00 0.00 O ATOM 277 CB TYR A 19 -2.336 -5.762 1.039 1.00 0.00 C ATOM 278 CG TYR A 19 -2.353 -4.465 1.813 1.00 0.00 C ATOM 279 CD1 TYR A 19 -3.503 -4.085 2.517 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.217 -3.644 1.827 1.00 0.00 C ATOM 281 CE1 TYR A 19 -3.518 -2.882 3.235 1.00 0.00 C ATOM 282 CE2 TYR A 19 -1.233 -2.441 2.546 1.00 0.00 C ATOM 283 CZ TYR A 19 -2.383 -2.061 3.250 1.00 0.00 C ATOM 284 OH TYR A 19 -2.398 -0.876 3.958 1.00 0.00 O ATOM 0 H TYR A 19 -0.274 -6.686 2.380 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.250 -6.865 2.645 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.444 -5.814 0.415 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.196 -5.811 0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.377 -4.719 2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.331 -3.938 1.285 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.405 -2.588 3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.359 -1.807 2.557 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.902 -0.201 3.456 1.00 0.00 H new ATOM 294 N CYS A 20 -1.680 -9.240 1.691 1.00 0.00 N ATOM 295 CA CYS A 20 -1.670 -10.545 0.975 1.00 0.00 C ATOM 296 C CYS A 20 -2.533 -11.553 1.738 1.00 0.00 C ATOM 297 O CYS A 20 -2.280 -11.856 2.887 1.00 0.00 O ATOM 298 CB CYS A 20 -0.234 -11.065 0.884 1.00 0.00 C ATOM 299 SG CYS A 20 -0.245 -12.769 0.272 1.00 0.00 S ATOM 0 H CYS A 20 -1.100 -9.200 2.529 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.072 -10.412 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.352 -10.432 0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.242 -11.022 1.864 1.00 0.00 H new ATOM 304 N ASN A 21 -3.546 -12.079 1.105 1.00 0.00 N ATOM 305 CA ASN A 21 -4.421 -13.069 1.793 1.00 0.00 C ATOM 306 C ASN A 21 -4.869 -12.507 3.143 1.00 0.00 C ATOM 307 O ASN A 21 -4.153 -12.702 4.112 1.00 0.00 O ATOM 308 CB ASN A 21 -3.642 -14.369 2.011 1.00 0.00 C ATOM 309 CG ASN A 21 -4.414 -15.274 2.973 1.00 0.00 C ATOM 310 OD1 ASN A 21 -3.963 -15.540 4.069 1.00 0.00 O ATOM 311 ND2 ASN A 21 -5.567 -15.762 2.606 1.00 0.00 N ATOM 312 OXT ASN A 21 -5.923 -11.893 3.187 1.00 0.00 O ATOM 0 H ASN A 21 -3.805 -11.866 0.142 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.298 -13.269 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.490 -14.878 1.059 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.654 -14.149 2.416 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.090 -16.367 3.239 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.946 -15.539 1.686 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 14.272 -3.289 -3.897 1.00 0.00 N ATOM 321 CA PHE B 1 13.931 -2.077 -4.694 1.00 0.00 C ATOM 322 C PHE B 1 14.028 -0.832 -3.809 1.00 0.00 C ATOM 323 O PHE B 1 14.782 -0.791 -2.858 1.00 0.00 O ATOM 324 CB PHE B 1 12.509 -2.210 -5.255 1.00 0.00 C ATOM 325 CG PHE B 1 11.481 -1.934 -4.178 1.00 0.00 C ATOM 326 CD1 PHE B 1 11.775 -2.188 -2.828 1.00 0.00 C ATOM 327 CD2 PHE B 1 10.223 -1.428 -4.535 1.00 0.00 C ATOM 328 CE1 PHE B 1 10.811 -1.933 -1.842 1.00 0.00 C ATOM 329 CE2 PHE B 1 9.262 -1.176 -3.548 1.00 0.00 C ATOM 330 CZ PHE B 1 9.556 -1.428 -2.202 1.00 0.00 C ATOM 0 H1 PHE B 1 14.681 -4.012 -4.523 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.963 -3.038 -3.161 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.411 -3.664 -3.450 1.00 0.00 H new ATOM 0 HA PHE B 1 14.634 -1.981 -5.522 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.372 -1.513 -6.082 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.363 -3.213 -5.656 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.742 -2.579 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.995 -1.232 -5.572 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.037 -2.126 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.293 -0.787 -3.825 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.814 -1.233 -1.442 1.00 0.00 H new ATOM 342 N VAL B 2 13.272 0.185 -4.121 1.00 0.00 N ATOM 343 CA VAL B 2 13.325 1.431 -3.302 1.00 0.00 C ATOM 344 C VAL B 2 11.912 1.990 -3.124 1.00 0.00 C ATOM 345 O VAL B 2 10.931 1.313 -3.357 1.00 0.00 O ATOM 346 CB VAL B 2 14.194 2.471 -4.013 1.00 0.00 C ATOM 347 CG1 VAL B 2 15.582 1.887 -4.281 1.00 0.00 C ATOM 348 CG2 VAL B 2 13.538 2.858 -5.340 1.00 0.00 C ATOM 0 H VAL B 2 12.621 0.208 -4.906 1.00 0.00 H new ATOM 0 HA VAL B 2 13.751 1.203 -2.325 1.00 0.00 H new ATOM 0 HB VAL B 2 14.291 3.354 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL B 2 16.198 2.630 -4.787 1.00 0.00 H new ATOM 0 HG12 VAL B 2 16.049 1.611 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL B 2 15.489 1.003 -4.911 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.155 3.599 -5.849 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.440 1.973 -5.969 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.550 3.278 -5.149 1.00 0.00 H new ATOM 358 N ASN B 3 11.802 3.225 -2.716 1.00 0.00 N ATOM 359 CA ASN B 3 10.455 3.832 -2.525 1.00 0.00 C ATOM 360 C ASN B 3 9.783 4.010 -3.888 1.00 0.00 C ATOM 361 O ASN B 3 10.433 4.265 -4.882 1.00 0.00 O ATOM 362 CB ASN B 3 10.602 5.196 -1.847 1.00 0.00 C ATOM 363 CG ASN B 3 10.235 5.070 -0.366 1.00 0.00 C ATOM 364 OD1 ASN B 3 10.327 4.001 0.205 1.00 0.00 O ATOM 365 ND2 ASN B 3 9.819 6.123 0.283 1.00 0.00 N ATOM 0 H ASN B 3 12.588 3.840 -2.507 1.00 0.00 H new ATOM 0 HA ASN B 3 9.846 3.180 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.625 5.557 -1.950 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.956 5.927 -2.332 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.571 6.049 1.270 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.742 7.020 -0.196 1.00 0.00 H new ATOM 372 N GLN B 4 8.486 3.874 -3.946 1.00 0.00 N ATOM 373 CA GLN B 4 7.782 4.032 -5.248 1.00 0.00 C ATOM 374 C GLN B 4 6.297 4.318 -5.006 1.00 0.00 C ATOM 375 O GLN B 4 5.763 4.033 -3.951 1.00 0.00 O ATOM 376 CB GLN B 4 7.927 2.744 -6.059 1.00 0.00 C ATOM 377 CG GLN B 4 7.934 3.077 -7.551 1.00 0.00 C ATOM 378 CD GLN B 4 7.479 1.854 -8.349 1.00 0.00 C ATOM 379 OE1 GLN B 4 6.414 1.320 -8.109 1.00 0.00 O ATOM 380 NE2 GLN B 4 8.245 1.383 -9.294 1.00 0.00 N ATOM 0 H GLN B 4 7.886 3.661 -3.149 1.00 0.00 H new ATOM 0 HA GLN B 4 8.221 4.865 -5.797 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.850 2.232 -5.786 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.106 2.064 -5.831 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.273 3.920 -7.749 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.935 3.376 -7.863 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.139 1.830 -9.496 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.950 0.567 -9.831 1.00 0.00 H new ATOM 389 N HIS B 5 5.625 4.875 -5.978 1.00 0.00 N ATOM 390 CA HIS B 5 4.174 5.173 -5.811 1.00 0.00 C ATOM 391 C HIS B 5 3.354 3.991 -6.333 1.00 0.00 C ATOM 392 O HIS B 5 3.523 3.555 -7.455 1.00 0.00 O ATOM 393 CB HIS B 5 3.813 6.432 -6.604 1.00 0.00 C ATOM 394 CG HIS B 5 4.373 7.643 -5.911 1.00 0.00 C ATOM 395 ND1 HIS B 5 5.717 7.751 -5.627 1.00 0.00 N ATOM 396 CD2 HIS B 5 3.765 8.781 -5.457 1.00 0.00 C ATOM 397 CE1 HIS B 5 5.887 8.933 -5.016 1.00 0.00 C ATOM 398 NE2 HIS B 5 4.720 9.598 -4.891 1.00 0.00 N ATOM 0 H HIS B 5 6.020 5.137 -6.882 1.00 0.00 H new ATOM 0 HA HIS B 5 3.955 5.336 -4.756 1.00 0.00 H new ATOM 0 HB2 HIS B 5 4.212 6.363 -7.616 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.730 6.520 -6.693 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.711 9.003 -5.530 1.00 0.00 H new ATOM 0 HE1 HIS B 5 6.839 9.306 -4.668 1.00 0.00 H new ATOM 0 HE2 HIS B 5 4.575 10.514 -4.466 1.00 0.00 H new ATOM 406 N LEU B 6 2.474 3.466 -5.529 1.00 0.00 N ATOM 407 CA LEU B 6 1.652 2.310 -5.979 1.00 0.00 C ATOM 408 C LEU B 6 0.250 2.793 -6.357 1.00 0.00 C ATOM 409 O LEU B 6 -0.380 3.534 -5.629 1.00 0.00 O ATOM 410 CB LEU B 6 1.554 1.297 -4.841 1.00 0.00 C ATOM 411 CG LEU B 6 2.550 0.162 -5.077 1.00 0.00 C ATOM 412 CD1 LEU B 6 2.142 -0.627 -6.322 1.00 0.00 C ATOM 413 CD2 LEU B 6 3.948 0.749 -5.283 1.00 0.00 C ATOM 0 H LEU B 6 2.288 3.788 -4.579 1.00 0.00 H new ATOM 0 HA LEU B 6 2.117 1.844 -6.848 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.762 1.784 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.541 0.899 -4.781 1.00 0.00 H new ATOM 0 HG LEU B 6 2.555 -0.502 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.853 -1.436 -6.489 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.145 -1.044 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.137 0.036 -7.187 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.660 -0.059 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.940 1.412 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.241 1.312 -4.397 1.00 0.00 H new ATOM 425 N CYS B 7 -0.246 2.375 -7.490 1.00 0.00 N ATOM 426 CA CYS B 7 -1.608 2.811 -7.912 1.00 0.00 C ATOM 427 C CYS B 7 -2.079 1.953 -9.088 1.00 0.00 C ATOM 428 O CYS B 7 -1.373 1.771 -10.060 1.00 0.00 O ATOM 429 CB CYS B 7 -1.561 4.278 -8.338 1.00 0.00 C ATOM 430 SG CYS B 7 -3.036 5.129 -7.727 1.00 0.00 S ATOM 0 H CYS B 7 0.232 1.752 -8.141 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.301 2.695 -7.079 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.663 4.754 -7.943 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.509 4.351 -9.424 1.00 0.00 H new ATOM 435 N GLY B 8 -3.270 1.427 -9.008 1.00 0.00 N ATOM 436 CA GLY B 8 -3.787 0.581 -10.120 1.00 0.00 C ATOM 437 C GLY B 8 -3.252 -0.843 -9.971 1.00 0.00 C ATOM 438 O GLY B 8 -2.991 -1.306 -8.877 1.00 0.00 O ATOM 0 H GLY B 8 -3.907 1.546 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.877 0.574 -10.109 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.481 0.997 -11.080 1.00 0.00 H new ATOM 442 N SER B 9 -3.084 -1.543 -11.059 1.00 0.00 N ATOM 443 CA SER B 9 -2.563 -2.935 -10.975 1.00 0.00 C ATOM 444 C SER B 9 -1.163 -2.920 -10.361 1.00 0.00 C ATOM 445 O SER B 9 -0.634 -3.942 -9.973 1.00 0.00 O ATOM 446 CB SER B 9 -2.499 -3.542 -12.377 1.00 0.00 C ATOM 447 OG SER B 9 -1.231 -3.259 -12.953 1.00 0.00 O ATOM 0 H SER B 9 -3.285 -1.211 -12.002 1.00 0.00 H new ATOM 0 HA SER B 9 -3.227 -3.533 -10.351 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.656 -4.619 -12.327 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.294 -3.132 -13.000 1.00 0.00 H new ATOM 0 HG SER B 9 -1.186 -3.648 -13.851 1.00 0.00 H new ATOM 453 N ASP B 10 -0.557 -1.769 -10.259 1.00 0.00 N ATOM 454 CA ASP B 10 0.802 -1.701 -9.663 1.00 0.00 C ATOM 455 C ASP B 10 0.755 -2.298 -8.258 1.00 0.00 C ATOM 456 O ASP B 10 1.727 -2.837 -7.768 1.00 0.00 O ATOM 457 CB ASP B 10 1.251 -0.242 -9.593 1.00 0.00 C ATOM 458 CG ASP B 10 2.199 0.058 -10.756 1.00 0.00 C ATOM 459 OD1 ASP B 10 1.766 -0.054 -11.891 1.00 0.00 O ATOM 460 OD2 ASP B 10 3.342 0.391 -10.492 1.00 0.00 O ATOM 0 H ASP B 10 -0.945 -0.876 -10.563 1.00 0.00 H new ATOM 0 HA ASP B 10 1.508 -2.262 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.385 0.418 -9.637 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.751 -0.050 -8.644 1.00 0.00 H new ATOM 465 N LEU B 11 -0.375 -2.215 -7.613 1.00 0.00 N ATOM 466 CA LEU B 11 -0.500 -2.782 -6.245 1.00 0.00 C ATOM 467 C LEU B 11 -0.296 -4.295 -6.302 1.00 0.00 C ATOM 468 O LEU B 11 0.542 -4.843 -5.615 1.00 0.00 O ATOM 469 CB LEU B 11 -1.898 -2.484 -5.700 1.00 0.00 C ATOM 470 CG LEU B 11 -1.848 -1.294 -4.737 1.00 0.00 C ATOM 471 CD1 LEU B 11 -3.209 -1.140 -4.057 1.00 0.00 C ATOM 472 CD2 LEU B 11 -0.778 -1.537 -3.672 1.00 0.00 C ATOM 0 H LEU B 11 -1.220 -1.776 -7.978 1.00 0.00 H new ATOM 0 HA LEU B 11 0.252 -2.335 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.578 -2.267 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.290 -3.361 -5.186 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.606 -0.388 -5.293 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.179 -0.294 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.976 -0.967 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.444 -2.049 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.745 -0.688 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.018 -2.442 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.193 -1.654 -4.152 1.00 0.00 H new ATOM 484 N VAL B 12 -1.055 -4.979 -7.116 1.00 0.00 N ATOM 485 CA VAL B 12 -0.891 -6.455 -7.203 1.00 0.00 C ATOM 486 C VAL B 12 0.508 -6.768 -7.714 1.00 0.00 C ATOM 487 O VAL B 12 0.970 -7.881 -7.617 1.00 0.00 O ATOM 488 CB VAL B 12 -1.942 -7.048 -8.144 1.00 0.00 C ATOM 489 CG1 VAL B 12 -3.279 -6.373 -7.873 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.543 -6.814 -9.606 1.00 0.00 C ATOM 0 H VAL B 12 -1.775 -4.582 -7.719 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.026 -6.897 -6.216 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.017 -8.121 -7.969 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.037 -6.787 -8.538 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.571 -6.546 -6.837 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.188 -5.301 -8.050 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.301 -7.242 -10.263 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.462 -5.743 -9.794 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.582 -7.290 -9.802 1.00 0.00 H new ATOM 500 N GLU B 13 1.193 -5.785 -8.236 1.00 0.00 N ATOM 501 CA GLU B 13 2.576 -6.024 -8.727 1.00 0.00 C ATOM 502 C GLU B 13 3.471 -6.149 -7.503 1.00 0.00 C ATOM 503 O GLU B 13 4.241 -7.081 -7.366 1.00 0.00 O ATOM 504 CB GLU B 13 3.033 -4.844 -9.588 1.00 0.00 C ATOM 505 CG GLU B 13 4.178 -5.287 -10.500 1.00 0.00 C ATOM 506 CD GLU B 13 5.329 -4.284 -10.401 1.00 0.00 C ATOM 507 OE1 GLU B 13 6.166 -4.458 -9.530 1.00 0.00 O ATOM 508 OE2 GLU B 13 5.354 -3.360 -11.197 1.00 0.00 O ATOM 0 H GLU B 13 0.853 -4.829 -8.342 1.00 0.00 H new ATOM 0 HA GLU B 13 2.622 -6.927 -9.335 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.201 -4.474 -10.186 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.359 -4.021 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.522 -6.281 -10.212 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.830 -5.356 -11.531 1.00 0.00 H new ATOM 515 N ALA B 14 3.338 -5.227 -6.591 1.00 0.00 N ATOM 516 CA ALA B 14 4.138 -5.294 -5.347 1.00 0.00 C ATOM 517 C ALA B 14 3.750 -6.577 -4.617 1.00 0.00 C ATOM 518 O ALA B 14 4.583 -7.295 -4.100 1.00 0.00 O ATOM 519 CB ALA B 14 3.813 -4.081 -4.476 1.00 0.00 C ATOM 0 H ALA B 14 2.706 -4.429 -6.658 1.00 0.00 H new ATOM 0 HA ALA B 14 5.205 -5.292 -5.567 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.399 -4.125 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.056 -3.168 -5.019 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.751 -4.084 -4.229 1.00 0.00 H new ATOM 525 N LEU B 15 2.478 -6.877 -4.599 1.00 0.00 N ATOM 526 CA LEU B 15 2.018 -8.122 -3.933 1.00 0.00 C ATOM 527 C LEU B 15 2.427 -9.308 -4.802 1.00 0.00 C ATOM 528 O LEU B 15 2.809 -10.356 -4.321 1.00 0.00 O ATOM 529 CB LEU B 15 0.497 -8.090 -3.774 1.00 0.00 C ATOM 530 CG LEU B 15 0.108 -6.993 -2.779 1.00 0.00 C ATOM 531 CD1 LEU B 15 -1.143 -6.266 -3.277 1.00 0.00 C ATOM 532 CD2 LEU B 15 -0.177 -7.622 -1.413 1.00 0.00 C ATOM 0 H LEU B 15 1.740 -6.311 -5.018 1.00 0.00 H new ATOM 0 HA LEU B 15 2.469 -8.211 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.024 -7.905 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.137 -9.057 -3.423 1.00 0.00 H new ATOM 0 HG LEU B 15 0.927 -6.280 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.417 -5.486 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.940 -5.817 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.964 -6.977 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.454 -6.842 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.995 -8.336 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.715 -8.137 -1.056 1.00 0.00 H new ATOM 544 N TYR B 16 2.357 -9.133 -6.088 1.00 0.00 N ATOM 545 CA TYR B 16 2.749 -10.226 -7.023 1.00 0.00 C ATOM 546 C TYR B 16 4.016 -10.920 -6.529 1.00 0.00 C ATOM 547 O TYR B 16 4.041 -12.108 -6.282 1.00 0.00 O ATOM 548 CB TYR B 16 3.072 -9.629 -8.394 1.00 0.00 C ATOM 549 CG TYR B 16 2.580 -10.551 -9.480 1.00 0.00 C ATOM 550 CD1 TYR B 16 2.480 -11.928 -9.241 1.00 0.00 C ATOM 551 CD2 TYR B 16 2.222 -10.028 -10.728 1.00 0.00 C ATOM 552 CE1 TYR B 16 2.020 -12.782 -10.252 1.00 0.00 C ATOM 553 CE2 TYR B 16 1.762 -10.881 -11.741 1.00 0.00 C ATOM 554 CZ TYR B 16 1.661 -12.259 -11.502 1.00 0.00 C ATOM 555 OH TYR B 16 1.207 -13.099 -12.498 1.00 0.00 O ATOM 0 H TYR B 16 2.043 -8.273 -6.538 1.00 0.00 H new ATOM 0 HA TYR B 16 1.924 -10.936 -7.081 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.603 -8.650 -8.495 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.147 -9.478 -8.491 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.757 -12.331 -8.278 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.300 -8.966 -10.911 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.942 -13.843 -10.068 1.00 0.00 H new ATOM 0 HE2 TYR B 16 1.486 -10.477 -12.704 1.00 0.00 H new ATOM 0 HH TYR B 16 1.001 -12.574 -13.300 1.00 0.00 H new ATOM 565 N LEU B 17 5.083 -10.180 -6.446 1.00 0.00 N ATOM 566 CA LEU B 17 6.386 -10.771 -6.041 1.00 0.00 C ATOM 567 C LEU B 17 6.423 -11.144 -4.552 1.00 0.00 C ATOM 568 O LEU B 17 6.898 -12.205 -4.198 1.00 0.00 O ATOM 569 CB LEU B 17 7.488 -9.761 -6.347 1.00 0.00 C ATOM 570 CG LEU B 17 8.733 -10.502 -6.827 1.00 0.00 C ATOM 571 CD1 LEU B 17 9.827 -9.493 -7.173 1.00 0.00 C ATOM 572 CD2 LEU B 17 9.225 -11.435 -5.719 1.00 0.00 C ATOM 0 H LEU B 17 5.108 -9.180 -6.644 1.00 0.00 H new ATOM 0 HA LEU B 17 6.533 -11.694 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.152 -9.059 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.719 -9.177 -5.456 1.00 0.00 H new ATOM 0 HG LEU B 17 8.491 -11.087 -7.714 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.716 -10.023 -7.516 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.473 -8.829 -7.962 1.00 0.00 H new ATOM 0 HD13 LEU B 17 10.073 -8.906 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.114 -11.966 -6.059 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.468 -10.850 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.443 -12.155 -5.476 1.00 0.00 H new ATOM 584 N VAL B 18 5.957 -10.301 -3.667 1.00 0.00 N ATOM 585 CA VAL B 18 6.024 -10.675 -2.221 1.00 0.00 C ATOM 586 C VAL B 18 5.268 -11.980 -1.994 1.00 0.00 C ATOM 587 O VAL B 18 5.760 -12.902 -1.373 1.00 0.00 O ATOM 588 CB VAL B 18 5.413 -9.575 -1.355 1.00 0.00 C ATOM 589 CG1 VAL B 18 6.141 -8.255 -1.612 1.00 0.00 C ATOM 590 CG2 VAL B 18 3.938 -9.414 -1.694 1.00 0.00 C ATOM 0 H VAL B 18 5.543 -9.392 -3.874 1.00 0.00 H new ATOM 0 HA VAL B 18 7.070 -10.802 -1.941 1.00 0.00 H new ATOM 0 HB VAL B 18 5.515 -9.848 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.703 -7.472 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.196 -8.367 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.043 -7.984 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.506 -8.628 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.833 -9.145 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.417 -10.353 -1.506 1.00 0.00 H new ATOM 600 N CYS B 19 4.080 -12.060 -2.499 1.00 0.00 N ATOM 601 CA CYS B 19 3.272 -13.298 -2.334 1.00 0.00 C ATOM 602 C CYS B 19 3.213 -14.035 -3.670 1.00 0.00 C ATOM 603 O CYS B 19 3.764 -15.107 -3.824 1.00 0.00 O ATOM 604 CB CYS B 19 1.859 -12.921 -1.893 1.00 0.00 C ATOM 605 SG CYS B 19 1.697 -13.170 -0.108 1.00 0.00 S ATOM 0 H CYS B 19 3.624 -11.315 -3.026 1.00 0.00 H new ATOM 0 HA CYS B 19 3.726 -13.942 -1.581 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.653 -11.881 -2.146 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.127 -13.529 -2.424 1.00 0.00 H new ATOM 610 N GLY B 20 2.558 -13.464 -4.641 1.00 0.00 N ATOM 611 CA GLY B 20 2.474 -14.124 -5.971 1.00 0.00 C ATOM 612 C GLY B 20 1.220 -14.996 -6.044 1.00 0.00 C ATOM 613 O GLY B 20 0.125 -14.553 -5.758 1.00 0.00 O ATOM 0 H GLY B 20 2.077 -12.567 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.450 -13.371 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.361 -14.734 -6.140 1.00 0.00 H new ATOM 617 N GLU B 21 1.370 -16.235 -6.430 1.00 0.00 N ATOM 618 CA GLU B 21 0.198 -17.137 -6.529 1.00 0.00 C ATOM 619 C GLU B 21 -0.439 -17.313 -5.148 1.00 0.00 C ATOM 620 O GLU B 21 -1.531 -17.831 -5.021 1.00 0.00 O ATOM 621 CB GLU B 21 0.666 -18.489 -7.055 1.00 0.00 C ATOM 622 CG GLU B 21 1.769 -19.039 -6.150 1.00 0.00 C ATOM 623 CD GLU B 21 1.802 -20.565 -6.251 1.00 0.00 C ATOM 624 OE1 GLU B 21 1.437 -21.077 -7.297 1.00 0.00 O ATOM 625 OE2 GLU B 21 2.190 -21.196 -5.282 1.00 0.00 O ATOM 0 H GLU B 21 2.263 -16.659 -6.682 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.542 -16.710 -7.206 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.171 -19.186 -7.090 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.037 -18.385 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.734 -18.624 -6.442 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.591 -18.736 -5.118 1.00 0.00 H new ATOM 632 N ARG B 22 0.232 -16.888 -4.113 1.00 0.00 N ATOM 633 CA ARG B 22 -0.342 -17.035 -2.746 1.00 0.00 C ATOM 634 C ARG B 22 -1.742 -16.419 -2.716 1.00 0.00 C ATOM 635 O ARG B 22 -2.545 -16.720 -1.857 1.00 0.00 O ATOM 636 CB ARG B 22 0.555 -16.321 -1.733 1.00 0.00 C ATOM 637 CG ARG B 22 0.895 -17.279 -0.590 1.00 0.00 C ATOM 638 CD ARG B 22 -0.395 -17.742 0.089 1.00 0.00 C ATOM 639 NE ARG B 22 -0.059 -18.543 1.300 1.00 0.00 N ATOM 640 CZ ARG B 22 -0.620 -19.705 1.490 1.00 0.00 C ATOM 641 NH1 ARG B 22 -1.898 -19.781 1.738 1.00 0.00 N ATOM 642 NH2 ARG B 22 0.099 -20.793 1.431 1.00 0.00 N ATOM 0 H ARG B 22 1.151 -16.446 -4.154 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.404 -18.092 -2.488 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.469 -15.978 -2.218 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.050 -15.437 -1.343 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.445 -18.138 -0.973 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.542 -16.783 0.134 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.002 -16.880 0.367 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.988 -18.340 -0.603 1.00 0.00 H new ATOM 0 HE ARG B 22 0.610 -18.182 1.980 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.460 -18.931 1.784 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -2.336 -20.690 1.886 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.099 -20.734 1.236 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -0.339 -21.702 1.579 1.00 0.00 H new ATOM 656 N GLY B 23 -2.038 -15.559 -3.650 1.00 0.00 N ATOM 657 CA GLY B 23 -3.386 -14.923 -3.681 1.00 0.00 C ATOM 658 C GLY B 23 -3.386 -13.677 -2.793 1.00 0.00 C ATOM 659 O GLY B 23 -3.968 -13.665 -1.727 1.00 0.00 O ATOM 0 H GLY B 23 -1.404 -15.268 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.648 -14.653 -4.704 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.140 -15.629 -3.334 1.00 0.00 H new ATOM 663 N PHE B 24 -2.739 -12.629 -3.222 1.00 0.00 N ATOM 664 CA PHE B 24 -2.703 -11.390 -2.407 1.00 0.00 C ATOM 665 C PHE B 24 -4.088 -10.742 -2.401 1.00 0.00 C ATOM 666 O PHE B 24 -4.957 -11.104 -3.169 1.00 0.00 O ATOM 667 CB PHE B 24 -1.690 -10.423 -3.016 1.00 0.00 C ATOM 668 CG PHE B 24 -1.850 -10.399 -4.517 1.00 0.00 C ATOM 669 CD1 PHE B 24 -2.896 -9.670 -5.098 1.00 0.00 C ATOM 670 CD2 PHE B 24 -0.952 -11.105 -5.329 1.00 0.00 C ATOM 671 CE1 PHE B 24 -3.044 -9.647 -6.490 1.00 0.00 C ATOM 672 CE2 PHE B 24 -1.101 -11.081 -6.723 1.00 0.00 C ATOM 673 CZ PHE B 24 -2.146 -10.353 -7.303 1.00 0.00 C ATOM 0 H PHE B 24 -2.233 -12.581 -4.106 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.414 -11.630 -1.384 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.837 -9.423 -2.609 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.677 -10.729 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.588 -9.126 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.146 -11.667 -4.881 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.850 -9.085 -6.938 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.409 -11.625 -7.349 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.261 -10.335 -8.377 1.00 0.00 H new ATOM 683 N PHE B 25 -4.302 -9.786 -1.540 1.00 0.00 N ATOM 684 CA PHE B 25 -5.631 -9.117 -1.487 1.00 0.00 C ATOM 685 C PHE B 25 -5.440 -7.599 -1.478 1.00 0.00 C ATOM 686 O PHE B 25 -5.733 -6.934 -0.504 1.00 0.00 O ATOM 687 CB PHE B 25 -6.370 -9.544 -0.217 1.00 0.00 C ATOM 688 CG PHE B 25 -7.724 -8.879 -0.176 1.00 0.00 C ATOM 689 CD1 PHE B 25 -8.538 -8.880 -1.316 1.00 0.00 C ATOM 690 CD2 PHE B 25 -8.165 -8.258 0.999 1.00 0.00 C ATOM 691 CE1 PHE B 25 -9.795 -8.262 -1.279 1.00 0.00 C ATOM 692 CE2 PHE B 25 -9.422 -7.639 1.036 1.00 0.00 C ATOM 693 CZ PHE B 25 -10.237 -7.641 -0.104 1.00 0.00 C ATOM 0 H PHE B 25 -3.614 -9.440 -0.871 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.215 -9.405 -2.361 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.484 -10.628 -0.197 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.791 -9.268 0.664 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.197 -9.357 -2.223 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.536 -8.256 1.877 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.424 -8.265 -2.157 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.762 -7.161 1.943 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.206 -7.164 -0.077 1.00 0.00 H new ATOM 703 N TYR B 26 -4.951 -7.044 -2.553 1.00 0.00 N ATOM 704 CA TYR B 26 -4.744 -5.578 -2.607 1.00 0.00 C ATOM 705 C TYR B 26 -6.083 -4.862 -2.398 1.00 0.00 C ATOM 706 O TYR B 26 -6.946 -5.335 -1.686 1.00 0.00 O ATOM 707 CB TYR B 26 -4.152 -5.210 -3.970 1.00 0.00 C ATOM 708 CG TYR B 26 -5.235 -5.162 -5.027 1.00 0.00 C ATOM 709 CD1 TYR B 26 -6.283 -6.094 -5.009 1.00 0.00 C ATOM 710 CD2 TYR B 26 -5.185 -4.185 -6.030 1.00 0.00 C ATOM 711 CE1 TYR B 26 -7.279 -6.047 -5.993 1.00 0.00 C ATOM 712 CE2 TYR B 26 -6.182 -4.139 -7.014 1.00 0.00 C ATOM 713 CZ TYR B 26 -7.229 -5.069 -6.995 1.00 0.00 C ATOM 714 OH TYR B 26 -8.210 -5.023 -7.964 1.00 0.00 O ATOM 0 H TYR B 26 -4.686 -7.550 -3.398 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.057 -5.269 -1.820 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.655 -4.242 -3.907 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.393 -5.940 -4.252 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.322 -6.848 -4.237 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.378 -3.467 -6.045 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.086 -6.765 -5.979 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.143 -3.386 -7.787 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.026 -4.285 -8.581 1.00 0.00 H new ATOM 724 N THR B 27 -6.260 -3.724 -3.009 1.00 0.00 N ATOM 725 CA THR B 27 -7.542 -2.982 -2.837 1.00 0.00 C ATOM 726 C THR B 27 -8.447 -3.227 -4.045 1.00 0.00 C ATOM 727 O THR B 27 -7.983 -3.457 -5.144 1.00 0.00 O ATOM 728 CB THR B 27 -7.254 -1.486 -2.715 1.00 0.00 C ATOM 729 OG1 THR B 27 -5.853 -1.267 -2.788 1.00 0.00 O ATOM 730 CG2 THR B 27 -7.786 -0.972 -1.377 1.00 0.00 C ATOM 0 H THR B 27 -5.576 -3.276 -3.618 1.00 0.00 H new ATOM 0 HA THR B 27 -8.041 -3.333 -1.934 1.00 0.00 H new ATOM 0 HB THR B 27 -7.746 -0.952 -3.528 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.680 -0.357 -3.108 1.00 0.00 H new ATOM 0 HG21 THR B 27 -7.581 0.095 -1.290 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.862 -1.140 -1.324 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.295 -1.504 -0.562 1.00 0.00 H new ATOM 738 N LYS B 28 -9.736 -3.175 -3.850 1.00 0.00 N ATOM 739 CA LYS B 28 -10.671 -3.400 -4.988 1.00 0.00 C ATOM 740 C LYS B 28 -10.305 -2.449 -6.136 1.00 0.00 C ATOM 741 O LYS B 28 -9.316 -1.748 -6.062 1.00 0.00 O ATOM 742 CB LYS B 28 -12.105 -3.141 -4.523 1.00 0.00 C ATOM 743 CG LYS B 28 -12.955 -4.396 -4.739 1.00 0.00 C ATOM 744 CD LYS B 28 -13.711 -4.729 -3.451 1.00 0.00 C ATOM 745 CE LYS B 28 -15.201 -4.887 -3.759 1.00 0.00 C ATOM 746 NZ LYS B 28 -15.874 -5.571 -2.620 1.00 0.00 N ATOM 0 H LYS B 28 -10.182 -2.987 -2.952 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.593 -4.429 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.111 -2.864 -3.469 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.530 -2.303 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.659 -4.235 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.319 -5.233 -5.027 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.320 -5.648 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.563 -3.939 -2.715 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.654 -3.910 -3.929 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -15.335 -5.464 -4.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.887 -5.679 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.448 -6.509 -2.478 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.757 -5.004 -1.756 1.00 0.00 H new ATOM 760 N PRO B 29 -11.102 -2.473 -7.172 1.00 0.00 N ATOM 761 CA PRO B 29 -10.883 -1.648 -8.366 1.00 0.00 C ATOM 762 C PRO B 29 -11.518 -0.265 -8.184 1.00 0.00 C ATOM 763 O PRO B 29 -11.816 0.150 -7.082 1.00 0.00 O ATOM 764 CB PRO B 29 -11.593 -2.443 -9.469 1.00 0.00 C ATOM 765 CG PRO B 29 -12.635 -3.349 -8.760 1.00 0.00 C ATOM 766 CD PRO B 29 -12.295 -3.330 -7.256 1.00 0.00 C ATOM 0 HA PRO B 29 -9.831 -1.465 -8.585 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.080 -1.773 -10.177 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -10.880 -3.042 -10.035 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.647 -2.982 -8.932 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.594 -4.365 -9.152 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -13.118 -2.927 -6.666 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -12.093 -4.333 -6.880 1.00 0.00 H new ATOM 774 N THR B 30 -11.724 0.451 -9.254 1.00 0.00 N ATOM 775 CA THR B 30 -12.337 1.805 -9.138 1.00 0.00 C ATOM 776 C THR B 30 -13.849 1.701 -9.343 1.00 0.00 C ATOM 777 O THR B 30 -14.361 0.595 -9.287 1.00 0.00 O ATOM 778 CB THR B 30 -11.741 2.729 -10.202 1.00 0.00 C ATOM 779 OG1 THR B 30 -11.177 1.946 -11.245 1.00 0.00 O ATOM 780 CG2 THR B 30 -10.653 3.601 -9.571 1.00 0.00 C ATOM 781 OXT THR B 30 -14.471 2.730 -9.553 1.00 0.00 O ATOM 0 H THR B 30 -11.495 0.158 -10.204 1.00 0.00 H new ATOM 0 HA THR B 30 -12.132 2.211 -8.148 1.00 0.00 H new ATOM 0 HB THR B 30 -12.525 3.367 -10.610 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.796 2.537 -11.928 1.00 0.00 H new ATOM 0 HG21 THR B 30 -10.229 4.259 -10.329 1.00 0.00 H new ATOM 0 HG22 THR B 30 -11.086 4.201 -8.771 1.00 0.00 H new ATOM 0 HG23 THR B 30 -9.868 2.965 -9.163 1.00 0.00 H new TER 789 THR B 30