USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 858 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: B 32 SER OG : rot 113:sc= 0.773 USER MOD Set 1.2: B 51 TYR OH : rot 30:sc= 0.582 USER MOD Set 2.1: A 32 SER OG : rot 113:sc= 0.771 USER MOD Set 2.2: A 51 TYR OH : rot 30:sc= 0.597 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0663 X(o=-0.066,f=-0.0023) USER MOD Single : A 24 ASN : amide:sc= -4.78! C(o=-4.8!,f=-12!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc= -0.0541 X(o=-0.054,f=-0.007) USER MOD Single : B 24 ASN : amide:sc= -4.15! C(o=-4.1!,f=-12!) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ -112:sc=-0.00211 (180deg=-0.203) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -18.650 15.540 4.315 1.00 0.00 N ATOM 2 CA SER A 12 -18.651 14.107 4.727 1.00 0.00 C ATOM 3 C SER A 12 -17.240 13.523 4.614 1.00 0.00 C ATOM 4 O SER A 12 -16.779 12.812 5.485 1.00 0.00 O ATOM 5 CB SER A 12 -19.599 13.414 3.749 1.00 0.00 C ATOM 6 OG SER A 12 -19.415 12.007 3.834 1.00 0.00 O ATOM 0 HA SER A 12 -18.966 13.975 5.762 1.00 0.00 H new ATOM 0 HB2 SER A 12 -20.632 13.672 3.982 1.00 0.00 H new ATOM 0 HB3 SER A 12 -19.406 13.757 2.733 1.00 0.00 H new ATOM 0 HG SER A 12 -20.023 11.559 3.209 1.00 0.00 H new ATOM 14 N LEU A 13 -16.550 13.819 3.546 1.00 0.00 N ATOM 15 CA LEU A 13 -15.169 13.281 3.378 1.00 0.00 C ATOM 16 C LEU A 13 -14.168 14.136 4.159 1.00 0.00 C ATOM 17 O LEU A 13 -13.142 13.658 4.602 1.00 0.00 O ATOM 18 CB LEU A 13 -14.891 13.367 1.876 1.00 0.00 C ATOM 19 CG LEU A 13 -13.900 12.273 1.477 1.00 0.00 C ATOM 20 CD1 LEU A 13 -14.667 11.013 1.069 1.00 0.00 C ATOM 21 CD2 LEU A 13 -13.056 12.760 0.297 1.00 0.00 C ATOM 0 H LEU A 13 -16.882 14.409 2.783 1.00 0.00 H new ATOM 0 HA LEU A 13 -15.075 12.262 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -15.819 13.253 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -14.486 14.348 1.626 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.250 12.044 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.961 10.233 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -15.271 10.667 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -15.316 11.240 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.348 11.982 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.707 12.987 -0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.510 13.658 0.586 1.00 0.00 H new ATOM 33 N ARG A 14 -14.455 15.396 4.328 1.00 0.00 N ATOM 34 CA ARG A 14 -13.517 16.279 5.080 1.00 0.00 C ATOM 35 C ARG A 14 -13.639 16.023 6.585 1.00 0.00 C ATOM 36 O ARG A 14 -12.661 16.023 7.305 1.00 0.00 O ATOM 37 CB ARG A 14 -13.955 17.706 4.740 1.00 0.00 C ATOM 38 CG ARG A 14 -12.801 18.449 4.060 1.00 0.00 C ATOM 39 CD ARG A 14 -12.315 19.578 4.968 1.00 0.00 C ATOM 40 NE ARG A 14 -11.530 20.477 4.078 1.00 0.00 N ATOM 41 CZ ARG A 14 -10.248 20.625 4.266 1.00 0.00 C ATOM 42 NH1 ARG A 14 -9.405 19.821 3.678 1.00 0.00 N ATOM 43 NH2 ARG A 14 -9.809 21.578 5.041 1.00 0.00 N ATOM 0 H ARG A 14 -15.297 15.854 3.979 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.476 16.098 4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -14.824 17.684 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.255 18.231 5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.984 17.759 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -13.129 18.854 3.103 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -13.152 20.106 5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -11.700 19.193 5.782 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.995 20.977 3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.749 19.077 3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.402 19.937 3.825 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.468 22.207 5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.806 21.694 5.188 1.00 0.00 H new ATOM 57 N GLU A 15 -14.832 15.807 7.065 1.00 0.00 N ATOM 58 CA GLU A 15 -15.014 15.551 8.523 1.00 0.00 C ATOM 59 C GLU A 15 -14.351 14.230 8.923 1.00 0.00 C ATOM 60 O GLU A 15 -14.150 13.955 10.091 1.00 0.00 O ATOM 61 CB GLU A 15 -16.527 15.475 8.723 1.00 0.00 C ATOM 62 CG GLU A 15 -17.148 16.848 8.460 1.00 0.00 C ATOM 63 CD GLU A 15 -18.105 17.205 9.596 1.00 0.00 C ATOM 64 OE1 GLU A 15 -19.221 16.710 9.583 1.00 0.00 O ATOM 65 OE2 GLU A 15 -17.708 17.966 10.462 1.00 0.00 O ATOM 0 H GLU A 15 -15.689 15.796 6.512 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.558 16.328 9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.957 14.735 8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.754 15.150 9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.366 17.603 8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.682 16.841 7.510 1.00 0.00 H new ATOM 72 N CYS A 16 -14.006 13.406 7.969 1.00 0.00 N ATOM 73 CA CYS A 16 -13.357 12.106 8.304 1.00 0.00 C ATOM 74 C CYS A 16 -11.965 12.338 8.907 1.00 0.00 C ATOM 75 O CYS A 16 -11.356 11.432 9.442 1.00 0.00 O ATOM 76 CB CYS A 16 -13.247 11.365 6.973 1.00 0.00 C ATOM 77 SG CYS A 16 -12.986 9.602 7.282 1.00 0.00 S ATOM 0 H CYS A 16 -14.146 13.577 6.973 1.00 0.00 H new ATOM 0 HA CYS A 16 -13.928 11.542 9.042 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -14.154 11.512 6.387 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.421 11.768 6.387 1.00 0.00 H new ATOM 82 N GLU A 17 -11.456 13.538 8.823 1.00 0.00 N ATOM 83 CA GLU A 17 -10.105 13.815 9.391 1.00 0.00 C ATOM 84 C GLU A 17 -10.195 14.071 10.900 1.00 0.00 C ATOM 85 O GLU A 17 -9.198 14.083 11.596 1.00 0.00 O ATOM 86 CB GLU A 17 -9.622 15.070 8.665 1.00 0.00 C ATOM 87 CG GLU A 17 -9.183 14.704 7.245 1.00 0.00 C ATOM 88 CD GLU A 17 -8.087 15.665 6.787 1.00 0.00 C ATOM 89 OE1 GLU A 17 -6.992 15.583 7.319 1.00 0.00 O ATOM 90 OE2 GLU A 17 -8.359 16.468 5.908 1.00 0.00 O ATOM 0 H GLU A 17 -11.916 14.337 8.387 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.425 12.974 9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.420 15.812 8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.791 15.520 9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.816 13.678 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.034 14.755 6.565 1.00 0.00 H new ATOM 97 N LEU A 18 -11.378 14.279 11.414 1.00 0.00 N ATOM 98 CA LEU A 18 -11.519 14.536 12.878 1.00 0.00 C ATOM 99 C LEU A 18 -10.863 13.408 13.682 1.00 0.00 C ATOM 100 O LEU A 18 -10.102 13.652 14.599 1.00 0.00 O ATOM 101 CB LEU A 18 -13.027 14.568 13.129 1.00 0.00 C ATOM 102 CG LEU A 18 -13.545 15.996 12.945 1.00 0.00 C ATOM 103 CD1 LEU A 18 -15.072 15.981 12.877 1.00 0.00 C ATOM 104 CD2 LEU A 18 -13.096 16.857 14.127 1.00 0.00 C ATOM 0 H LEU A 18 -12.251 14.282 10.886 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.034 15.463 13.183 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.535 13.894 12.440 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.246 14.218 14.138 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.145 16.411 12.020 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -15.440 16.998 12.746 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -15.393 15.368 12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -15.473 15.566 13.802 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.465 17.874 13.997 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.496 16.442 15.052 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.007 16.869 14.176 1.00 0.00 H new ATOM 116 N TYR A 19 -11.150 12.180 13.349 1.00 0.00 N ATOM 117 CA TYR A 19 -10.542 11.042 14.101 1.00 0.00 C ATOM 118 C TYR A 19 -9.112 10.769 13.611 1.00 0.00 C ATOM 119 O TYR A 19 -8.464 9.847 14.065 1.00 0.00 O ATOM 120 CB TYR A 19 -11.447 9.844 13.802 1.00 0.00 C ATOM 121 CG TYR A 19 -10.859 8.596 14.421 1.00 0.00 C ATOM 122 CD1 TYR A 19 -10.821 8.454 15.827 1.00 0.00 C ATOM 123 CD2 TYR A 19 -10.342 7.573 13.594 1.00 0.00 C ATOM 124 CE1 TYR A 19 -10.268 7.290 16.406 1.00 0.00 C ATOM 125 CE2 TYR A 19 -9.790 6.408 14.173 1.00 0.00 C ATOM 126 CZ TYR A 19 -9.752 6.266 15.578 1.00 0.00 C ATOM 127 OH TYR A 19 -9.212 5.130 16.142 1.00 0.00 O ATOM 0 H TYR A 19 -11.778 11.914 12.590 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.471 11.250 15.169 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.446 10.023 14.199 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.550 9.714 12.725 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.215 9.236 16.459 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.369 7.682 12.520 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.239 7.182 17.480 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -9.397 5.626 13.541 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.905 4.527 15.433 1.00 0.00 H new ATOM 137 N VAL A 20 -8.611 11.552 12.692 1.00 0.00 N ATOM 138 CA VAL A 20 -7.227 11.310 12.194 1.00 0.00 C ATOM 139 C VAL A 20 -6.214 12.090 13.030 1.00 0.00 C ATOM 140 O VAL A 20 -5.341 12.755 12.506 1.00 0.00 O ATOM 141 CB VAL A 20 -7.230 11.805 10.747 1.00 0.00 C ATOM 142 CG1 VAL A 20 -5.839 11.619 10.140 1.00 0.00 C ATOM 143 CG2 VAL A 20 -8.250 11.000 9.937 1.00 0.00 C ATOM 0 H VAL A 20 -9.097 12.342 12.268 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.945 10.259 12.262 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.497 12.862 10.725 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.842 11.972 9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.111 12.190 10.717 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.571 10.563 10.161 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.254 11.351 8.905 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.981 9.944 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.242 11.131 10.369 1.00 0.00 H new ATOM 153 N GLN A 21 -6.314 12.005 14.326 1.00 0.00 N ATOM 154 CA GLN A 21 -5.350 12.734 15.195 1.00 0.00 C ATOM 155 C GLN A 21 -4.145 11.838 15.495 1.00 0.00 C ATOM 156 O GLN A 21 -3.884 10.885 14.790 1.00 0.00 O ATOM 157 CB GLN A 21 -6.125 13.041 16.475 1.00 0.00 C ATOM 158 CG GLN A 21 -6.213 14.557 16.668 1.00 0.00 C ATOM 159 CD GLN A 21 -6.979 14.861 17.957 1.00 0.00 C ATOM 160 OE1 GLN A 21 -6.457 15.495 18.853 1.00 0.00 O ATOM 161 NE2 GLN A 21 -8.203 14.432 18.091 1.00 0.00 N ATOM 0 H GLN A 21 -7.021 11.462 14.821 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.968 13.641 14.728 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.126 12.612 16.418 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.630 12.583 17.331 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.213 14.987 16.716 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.716 15.015 15.816 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.642 13.900 17.340 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.721 14.629 18.947 1.00 0.00 H new ATOM 170 N LYS A 22 -3.418 12.125 16.539 1.00 0.00 N ATOM 171 CA LYS A 22 -2.246 11.269 16.878 1.00 0.00 C ATOM 172 C LYS A 22 -2.745 9.920 17.395 1.00 0.00 C ATOM 173 O LYS A 22 -2.575 9.581 18.549 1.00 0.00 O ATOM 174 CB LYS A 22 -1.493 12.029 17.971 1.00 0.00 C ATOM 175 CG LYS A 22 -0.090 12.378 17.472 1.00 0.00 C ATOM 176 CD LYS A 22 0.635 13.220 18.524 1.00 0.00 C ATOM 177 CE LYS A 22 2.139 13.203 18.242 1.00 0.00 C ATOM 178 NZ LYS A 22 2.673 14.412 18.931 1.00 0.00 N ATOM 0 H LYS A 22 -3.583 12.910 17.169 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.602 11.073 16.021 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.033 12.938 18.236 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.429 11.422 18.874 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.472 11.466 17.271 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.153 12.927 16.533 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.262 14.244 18.506 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.436 12.826 19.521 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.602 12.294 18.625 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.340 13.237 17.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.701 14.470 18.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.219 15.263 18.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.473 14.348 19.949 1.00 0.00 H new ATOM 192 N HIS A 23 -3.380 9.159 16.548 1.00 0.00 N ATOM 193 CA HIS A 23 -3.917 7.838 16.983 1.00 0.00 C ATOM 194 C HIS A 23 -4.387 7.025 15.774 1.00 0.00 C ATOM 195 O HIS A 23 -4.259 5.818 15.737 1.00 0.00 O ATOM 196 CB HIS A 23 -5.112 8.186 17.867 1.00 0.00 C ATOM 197 CG HIS A 23 -5.499 6.985 18.684 1.00 0.00 C ATOM 198 ND1 HIS A 23 -6.821 6.673 18.960 1.00 0.00 N ATOM 199 CD2 HIS A 23 -4.750 6.008 19.291 1.00 0.00 C ATOM 200 CE1 HIS A 23 -6.827 5.551 19.702 1.00 0.00 C ATOM 201 NE2 HIS A 23 -5.590 5.102 19.933 1.00 0.00 N ATOM 0 H HIS A 23 -3.551 9.395 15.571 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.167 7.239 17.499 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.862 9.020 18.523 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.952 8.506 17.251 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.672 5.951 19.273 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.723 5.071 20.067 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.320 4.275 20.465 1.00 0.00 H new ATOM 209 N ASN A 24 -4.951 7.680 14.798 1.00 0.00 N ATOM 210 CA ASN A 24 -5.456 6.959 13.596 1.00 0.00 C ATOM 211 C ASN A 24 -4.315 6.219 12.876 1.00 0.00 C ATOM 212 O ASN A 24 -3.390 5.727 13.492 1.00 0.00 O ATOM 213 CB ASN A 24 -6.068 8.065 12.717 1.00 0.00 C ATOM 214 CG ASN A 24 -4.971 8.834 11.966 1.00 0.00 C ATOM 215 OD1 ASN A 24 -4.671 8.528 10.829 1.00 0.00 O ATOM 216 ND2 ASN A 24 -4.362 9.824 12.555 1.00 0.00 N ATOM 0 H ASN A 24 -5.085 8.691 14.781 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.186 6.188 13.844 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.764 7.625 12.003 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.641 8.754 13.338 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.634 10.341 12.062 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.613 10.082 13.509 1.00 0.00 H new ATOM 223 N ILE A 25 -4.384 6.131 11.574 1.00 0.00 N ATOM 224 CA ILE A 25 -3.319 5.419 10.809 1.00 0.00 C ATOM 225 C ILE A 25 -1.930 5.957 11.170 1.00 0.00 C ATOM 226 O ILE A 25 -0.934 5.299 10.956 1.00 0.00 O ATOM 227 CB ILE A 25 -3.641 5.705 9.341 1.00 0.00 C ATOM 228 CG1 ILE A 25 -5.029 5.149 9.007 1.00 0.00 C ATOM 229 CG2 ILE A 25 -2.594 5.036 8.446 1.00 0.00 C ATOM 230 CD1 ILE A 25 -5.953 6.297 8.599 1.00 0.00 C ATOM 0 H ILE A 25 -5.135 6.523 11.006 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.300 4.352 11.031 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.628 6.781 9.170 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.956 4.422 8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.440 4.626 9.870 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.825 5.241 7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.606 5.431 8.684 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.605 3.959 8.616 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.941 5.902 8.361 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.035 7.008 9.421 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.543 6.800 7.723 1.00 0.00 H new ATOM 242 N GLN A 26 -1.848 7.146 11.709 1.00 0.00 N ATOM 243 CA GLN A 26 -0.514 7.719 12.074 1.00 0.00 C ATOM 244 C GLN A 26 0.350 6.685 12.816 1.00 0.00 C ATOM 245 O GLN A 26 1.564 6.749 12.793 1.00 0.00 O ATOM 246 CB GLN A 26 -0.829 8.904 12.987 1.00 0.00 C ATOM 247 CG GLN A 26 0.070 10.084 12.618 1.00 0.00 C ATOM 248 CD GLN A 26 -0.738 11.116 11.829 1.00 0.00 C ATOM 249 OE1 GLN A 26 -1.281 10.809 10.786 1.00 0.00 O ATOM 250 NE2 GLN A 26 -0.842 12.333 12.285 1.00 0.00 N ATOM 0 H GLN A 26 -2.647 7.747 11.913 1.00 0.00 H new ATOM 0 HA GLN A 26 0.052 8.015 11.191 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.877 9.186 12.886 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.673 8.626 14.029 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.479 10.539 13.520 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.916 9.738 12.024 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.386 12.590 13.160 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.379 13.028 11.766 1.00 0.00 H new ATOM 259 N ALA A 27 -0.264 5.738 13.471 1.00 0.00 N ATOM 260 CA ALA A 27 0.526 4.709 14.209 1.00 0.00 C ATOM 261 C ALA A 27 1.357 3.862 13.238 1.00 0.00 C ATOM 262 O ALA A 27 2.568 3.955 13.200 1.00 0.00 O ATOM 263 CB ALA A 27 -0.516 3.839 14.916 1.00 0.00 C ATOM 0 H ALA A 27 -1.277 5.631 13.528 1.00 0.00 H new ATOM 0 HA ALA A 27 1.228 5.162 14.909 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.012 3.056 15.482 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.105 4.456 15.595 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.174 3.385 14.175 1.00 0.00 H new ATOM 269 N LEU A 28 0.718 3.032 12.457 1.00 0.00 N ATOM 270 CA LEU A 28 1.473 2.176 11.495 1.00 0.00 C ATOM 271 C LEU A 28 2.330 3.039 10.561 1.00 0.00 C ATOM 272 O LEU A 28 3.261 2.562 9.942 1.00 0.00 O ATOM 273 CB LEU A 28 0.398 1.421 10.704 1.00 0.00 C ATOM 274 CG LEU A 28 -0.408 2.403 9.854 1.00 0.00 C ATOM 275 CD1 LEU A 28 0.011 2.280 8.388 1.00 0.00 C ATOM 276 CD2 LEU A 28 -1.901 2.084 9.985 1.00 0.00 C ATOM 0 H LEU A 28 -0.295 2.910 12.443 1.00 0.00 H new ATOM 0 HA LEU A 28 2.157 1.496 12.002 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.864 0.671 10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.264 0.890 11.388 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.219 3.419 10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.565 2.981 7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.073 2.507 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.175 1.264 8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.477 2.784 9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.087 1.067 9.640 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.202 2.174 11.029 1.00 0.00 H new ATOM 288 N LEU A 29 2.021 4.302 10.448 1.00 0.00 N ATOM 289 CA LEU A 29 2.816 5.186 9.548 1.00 0.00 C ATOM 290 C LEU A 29 4.155 5.556 10.197 1.00 0.00 C ATOM 291 O LEU A 29 5.111 5.874 9.520 1.00 0.00 O ATOM 292 CB LEU A 29 1.951 6.432 9.353 1.00 0.00 C ATOM 293 CG LEU A 29 0.700 6.066 8.553 1.00 0.00 C ATOM 294 CD1 LEU A 29 -0.187 7.302 8.398 1.00 0.00 C ATOM 295 CD2 LEU A 29 1.110 5.558 7.167 1.00 0.00 C ATOM 0 H LEU A 29 1.253 4.760 10.939 1.00 0.00 H new ATOM 0 HA LEU A 29 3.053 4.699 8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.668 6.846 10.321 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.517 7.202 8.830 1.00 0.00 H new ATOM 0 HG LEU A 29 0.149 5.286 9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.078 7.041 7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.480 7.666 9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.364 8.082 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.218 5.297 6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.661 6.338 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.742 4.677 7.275 1.00 0.00 H new ATOM 307 N LYS A 30 4.233 5.517 11.501 1.00 0.00 N ATOM 308 CA LYS A 30 5.518 5.869 12.179 1.00 0.00 C ATOM 309 C LYS A 30 6.678 5.085 11.558 1.00 0.00 C ATOM 310 O LYS A 30 7.592 5.652 10.992 1.00 0.00 O ATOM 311 CB LYS A 30 5.321 5.468 13.642 1.00 0.00 C ATOM 312 CG LYS A 30 6.623 5.699 14.415 1.00 0.00 C ATOM 313 CD LYS A 30 6.393 5.428 15.903 1.00 0.00 C ATOM 314 CE LYS A 30 7.328 6.311 16.732 1.00 0.00 C ATOM 315 NZ LYS A 30 7.134 5.862 18.141 1.00 0.00 N ATOM 0 H LYS A 30 3.468 5.258 12.124 1.00 0.00 H new ATOM 0 HA LYS A 30 5.760 6.927 12.077 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.514 6.052 14.085 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.028 4.420 13.707 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.406 5.044 14.033 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.966 6.723 14.271 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.355 5.633 16.165 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.576 4.377 16.125 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.365 6.191 16.419 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.080 7.366 16.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.743 6.422 18.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.139 5.994 18.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.384 4.856 18.222 1.00 0.00 H new ATOM 329 N ASP A 31 6.648 3.783 11.657 1.00 0.00 N ATOM 330 CA ASP A 31 7.749 2.963 11.072 1.00 0.00 C ATOM 331 C ASP A 31 7.679 2.995 9.543 1.00 0.00 C ATOM 332 O ASP A 31 8.689 3.030 8.867 1.00 0.00 O ATOM 333 CB ASP A 31 7.506 1.547 11.592 1.00 0.00 C ATOM 334 CG ASP A 31 8.317 1.327 12.869 1.00 0.00 C ATOM 335 OD1 ASP A 31 8.326 2.219 13.703 1.00 0.00 O ATOM 336 OD2 ASP A 31 8.916 0.272 12.994 1.00 0.00 O ATOM 0 H ASP A 31 5.909 3.252 12.117 1.00 0.00 H new ATOM 0 HA ASP A 31 8.735 3.336 11.351 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.445 1.399 11.792 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.793 0.816 10.836 1.00 0.00 H new ATOM 341 N SER A 32 6.496 2.984 8.991 1.00 0.00 N ATOM 342 CA SER A 32 6.365 3.014 7.505 1.00 0.00 C ATOM 343 C SER A 32 7.132 4.209 6.931 1.00 0.00 C ATOM 344 O SER A 32 7.950 4.063 6.044 1.00 0.00 O ATOM 345 CB SER A 32 4.867 3.163 7.242 1.00 0.00 C ATOM 346 OG SER A 32 4.573 2.698 5.932 1.00 0.00 O ATOM 0 H SER A 32 5.615 2.956 9.504 1.00 0.00 H new ATOM 0 HA SER A 32 6.774 2.119 7.036 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.298 2.595 7.978 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.570 4.207 7.345 1.00 0.00 H new ATOM 0 HG SER A 32 4.023 1.889 5.988 1.00 0.00 H new ATOM 352 N ILE A 33 6.874 5.386 7.429 1.00 0.00 N ATOM 353 CA ILE A 33 7.589 6.587 6.910 1.00 0.00 C ATOM 354 C ILE A 33 9.102 6.397 7.044 1.00 0.00 C ATOM 355 O ILE A 33 9.861 6.737 6.157 1.00 0.00 O ATOM 356 CB ILE A 33 7.109 7.745 7.790 1.00 0.00 C ATOM 357 CG1 ILE A 33 5.615 7.979 7.556 1.00 0.00 C ATOM 358 CG2 ILE A 33 7.881 9.017 7.431 1.00 0.00 C ATOM 359 CD1 ILE A 33 5.083 8.964 8.598 1.00 0.00 C ATOM 0 H ILE A 33 6.200 5.569 8.172 1.00 0.00 H new ATOM 0 HA ILE A 33 7.385 6.768 5.855 1.00 0.00 H new ATOM 0 HB ILE A 33 7.282 7.497 8.837 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.450 8.371 6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.074 7.035 7.622 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.538 9.840 8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.946 8.855 7.596 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.709 9.263 6.383 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.019 9.131 8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.234 8.554 9.597 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.617 9.910 8.510 1.00 0.00 H new ATOM 371 N VAL A 34 9.548 5.854 8.144 1.00 0.00 N ATOM 372 CA VAL A 34 11.014 5.642 8.328 1.00 0.00 C ATOM 373 C VAL A 34 11.583 4.823 7.167 1.00 0.00 C ATOM 374 O VAL A 34 12.651 5.107 6.663 1.00 0.00 O ATOM 375 CB VAL A 34 11.139 4.867 9.639 1.00 0.00 C ATOM 376 CG1 VAL A 34 12.611 4.536 9.897 1.00 0.00 C ATOM 377 CG2 VAL A 34 10.602 5.721 10.791 1.00 0.00 C ATOM 0 H VAL A 34 8.963 5.548 8.922 1.00 0.00 H new ATOM 0 HA VAL A 34 11.566 6.582 8.353 1.00 0.00 H new ATOM 0 HB VAL A 34 10.563 3.944 9.571 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.701 3.983 10.832 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.996 3.929 9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 34 13.185 5.460 9.965 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.691 5.168 11.726 1.00 0.00 H new ATOM 0 HG22 VAL A 34 11.178 6.644 10.859 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.554 5.960 10.609 1.00 0.00 H new ATOM 387 N GLN A 35 10.880 3.810 6.740 1.00 0.00 N ATOM 388 CA GLN A 35 11.386 2.973 5.613 1.00 0.00 C ATOM 389 C GLN A 35 11.041 3.624 4.270 1.00 0.00 C ATOM 390 O GLN A 35 11.837 3.637 3.353 1.00 0.00 O ATOM 391 CB GLN A 35 10.663 1.632 5.759 1.00 0.00 C ATOM 392 CG GLN A 35 11.283 0.841 6.914 1.00 0.00 C ATOM 393 CD GLN A 35 11.614 -0.576 6.444 1.00 0.00 C ATOM 394 OE1 GLN A 35 12.524 -0.772 5.661 1.00 0.00 O ATOM 395 NE2 GLN A 35 10.910 -1.580 6.890 1.00 0.00 N ATOM 0 H GLN A 35 9.978 3.525 7.122 1.00 0.00 H new ATOM 0 HA GLN A 35 12.470 2.858 5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.602 1.797 5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.739 1.063 4.832 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.187 1.339 7.266 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.591 0.804 7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.147 -1.416 7.547 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.123 -2.529 6.582 1.00 0.00 H new ATOM 404 N LEU A 36 9.859 4.163 4.146 1.00 0.00 N ATOM 405 CA LEU A 36 9.467 4.809 2.860 1.00 0.00 C ATOM 406 C LEU A 36 10.472 5.903 2.489 1.00 0.00 C ATOM 407 O LEU A 36 10.586 6.291 1.343 1.00 0.00 O ATOM 408 CB LEU A 36 8.088 5.414 3.123 1.00 0.00 C ATOM 409 CG LEU A 36 7.011 4.516 2.513 1.00 0.00 C ATOM 410 CD1 LEU A 36 7.217 4.424 1.002 1.00 0.00 C ATOM 411 CD2 LEU A 36 7.106 3.115 3.127 1.00 0.00 C ATOM 0 H LEU A 36 9.149 4.184 4.878 1.00 0.00 H new ATOM 0 HA LEU A 36 9.449 4.101 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.924 5.519 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.030 6.414 2.692 1.00 0.00 H new ATOM 0 HG LEU A 36 6.028 4.938 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.449 3.784 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.149 5.420 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.200 4.003 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.338 2.475 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.090 2.693 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.957 3.179 4.205 1.00 0.00 H new ATOM 423 N CYS A 37 11.204 6.402 3.449 1.00 0.00 N ATOM 424 CA CYS A 37 12.201 7.472 3.145 1.00 0.00 C ATOM 425 C CYS A 37 13.113 7.030 1.998 1.00 0.00 C ATOM 426 O CYS A 37 13.531 7.827 1.181 1.00 0.00 O ATOM 427 CB CYS A 37 13.004 7.646 4.435 1.00 0.00 C ATOM 428 SG CYS A 37 13.212 9.413 4.783 1.00 0.00 S ATOM 0 H CYS A 37 11.156 6.117 4.427 1.00 0.00 H new ATOM 0 HA CYS A 37 11.727 8.403 2.834 1.00 0.00 H new ATOM 0 HB2 CYS A 37 12.491 7.159 5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.978 7.166 4.337 1.00 0.00 H new ATOM 433 N THR A 38 13.419 5.762 1.924 1.00 0.00 N ATOM 434 CA THR A 38 14.297 5.271 0.825 1.00 0.00 C ATOM 435 C THR A 38 13.645 5.553 -0.533 1.00 0.00 C ATOM 436 O THR A 38 14.302 5.600 -1.553 1.00 0.00 O ATOM 437 CB THR A 38 14.423 3.763 1.057 1.00 0.00 C ATOM 438 OG1 THR A 38 15.037 3.531 2.319 1.00 0.00 O ATOM 439 CG2 THR A 38 15.276 3.143 -0.050 1.00 0.00 C ATOM 0 H THR A 38 13.099 5.047 2.577 1.00 0.00 H new ATOM 0 HA THR A 38 15.270 5.763 0.822 1.00 0.00 H new ATOM 0 HB THR A 38 13.432 3.308 1.044 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.117 2.566 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.365 2.070 0.117 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.804 3.322 -1.016 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.268 3.595 -0.041 1.00 0.00 H new ATOM 447 N ALA A 39 12.352 5.745 -0.550 1.00 0.00 N ATOM 448 CA ALA A 39 11.651 6.029 -1.837 1.00 0.00 C ATOM 449 C ALA A 39 11.951 4.935 -2.862 1.00 0.00 C ATOM 450 O ALA A 39 11.814 5.134 -4.054 1.00 0.00 O ATOM 451 CB ALA A 39 12.212 7.372 -2.308 1.00 0.00 C ATOM 0 H ALA A 39 11.750 5.717 0.273 1.00 0.00 H new ATOM 0 HA ALA A 39 10.568 6.058 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.744 7.651 -3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.003 8.136 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.290 7.287 -2.448 1.00 0.00 H new ATOM 457 N ARG A 40 12.358 3.778 -2.416 1.00 0.00 N ATOM 458 CA ARG A 40 12.660 2.679 -3.374 1.00 0.00 C ATOM 459 C ARG A 40 11.901 1.400 -2.991 1.00 0.00 C ATOM 460 O ARG A 40 12.486 0.337 -2.921 1.00 0.00 O ATOM 461 CB ARG A 40 14.169 2.462 -3.254 1.00 0.00 C ATOM 462 CG ARG A 40 14.631 1.487 -4.335 1.00 0.00 C ATOM 463 CD ARG A 40 15.332 2.262 -5.454 1.00 0.00 C ATOM 464 NE ARG A 40 14.301 3.202 -5.972 1.00 0.00 N ATOM 465 CZ ARG A 40 13.769 3.003 -7.148 1.00 0.00 C ATOM 466 NH1 ARG A 40 13.346 1.814 -7.478 1.00 0.00 N ATOM 467 NH2 ARG A 40 13.662 3.992 -7.992 1.00 0.00 N ATOM 0 H ARG A 40 12.494 3.547 -1.432 1.00 0.00 H new ATOM 0 HA ARG A 40 12.357 2.927 -4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.693 3.412 -3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 40 14.413 2.070 -2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.310 0.749 -3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.777 0.940 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.203 2.799 -5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.685 1.592 -6.238 1.00 0.00 H new ATOM 0 HE ARG A 40 14.010 4.001 -5.409 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.431 1.041 -6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.930 1.657 -8.396 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.994 4.921 -7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.246 3.836 -8.910 1.00 0.00 H new ATOM 481 N PRO A 41 10.617 1.537 -2.758 1.00 0.00 N ATOM 482 CA PRO A 41 9.792 0.362 -2.384 1.00 0.00 C ATOM 483 C PRO A 41 9.536 -0.516 -3.612 1.00 0.00 C ATOM 484 O PRO A 41 8.739 -0.185 -4.467 1.00 0.00 O ATOM 485 CB PRO A 41 8.490 0.982 -1.883 1.00 0.00 C ATOM 486 CG PRO A 41 8.409 2.315 -2.555 1.00 0.00 C ATOM 487 CD PRO A 41 9.822 2.771 -2.813 1.00 0.00 C ATOM 0 HA PRO A 41 10.267 -0.278 -1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.633 0.359 -2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.495 1.087 -0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.852 2.242 -3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.882 3.032 -1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.912 3.259 -3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.151 3.490 -2.063 1.00 0.00 H new ATOM 495 N GLU A 42 10.204 -1.634 -3.707 1.00 0.00 N ATOM 496 CA GLU A 42 9.991 -2.530 -4.884 1.00 0.00 C ATOM 497 C GLU A 42 8.497 -2.818 -5.064 1.00 0.00 C ATOM 498 O GLU A 42 8.011 -2.959 -6.170 1.00 0.00 O ATOM 499 CB GLU A 42 10.749 -3.813 -4.547 1.00 0.00 C ATOM 500 CG GLU A 42 10.628 -4.797 -5.712 1.00 0.00 C ATOM 501 CD GLU A 42 12.000 -4.991 -6.361 1.00 0.00 C ATOM 502 OE1 GLU A 42 12.500 -4.038 -6.938 1.00 0.00 O ATOM 503 OE2 GLU A 42 12.529 -6.085 -6.271 1.00 0.00 O ATOM 0 H GLU A 42 10.886 -1.966 -3.025 1.00 0.00 H new ATOM 0 HA GLU A 42 10.342 -2.083 -5.814 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.798 -3.588 -4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.346 -4.258 -3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.244 -5.753 -5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.916 -4.421 -6.447 1.00 0.00 H new ATOM 510 N ARG A 43 7.772 -2.905 -3.985 1.00 0.00 N ATOM 511 CA ARG A 43 6.310 -3.180 -4.084 1.00 0.00 C ATOM 512 C ARG A 43 5.597 -2.677 -2.824 1.00 0.00 C ATOM 513 O ARG A 43 5.505 -3.388 -1.843 1.00 0.00 O ATOM 514 CB ARG A 43 6.198 -4.703 -4.194 1.00 0.00 C ATOM 515 CG ARG A 43 6.891 -5.353 -2.997 1.00 0.00 C ATOM 516 CD ARG A 43 7.935 -6.355 -3.491 1.00 0.00 C ATOM 517 NE ARG A 43 7.969 -7.418 -2.450 1.00 0.00 N ATOM 518 CZ ARG A 43 8.715 -8.474 -2.622 1.00 0.00 C ATOM 519 NH1 ARG A 43 9.955 -8.470 -2.217 1.00 0.00 N ATOM 520 NH2 ARG A 43 8.220 -9.535 -3.200 1.00 0.00 N ATOM 0 H ARG A 43 8.129 -2.797 -3.036 1.00 0.00 H new ATOM 0 HA ARG A 43 5.849 -2.678 -4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.150 -5.000 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.655 -5.046 -5.122 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.367 -4.590 -2.381 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.157 -5.857 -2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.661 -6.763 -4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.911 -5.884 -3.606 1.00 0.00 H new ATOM 0 HE ARG A 43 7.409 -7.321 -1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.341 -7.641 -1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.538 -9.296 -2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.250 -9.538 -3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.803 -10.361 -3.335 1.00 0.00 H new ATOM 534 N PRO A 44 5.123 -1.457 -2.883 1.00 0.00 N ATOM 535 CA PRO A 44 4.425 -0.858 -1.718 1.00 0.00 C ATOM 536 C PRO A 44 3.083 -1.554 -1.476 1.00 0.00 C ATOM 537 O PRO A 44 2.576 -1.579 -0.372 1.00 0.00 O ATOM 538 CB PRO A 44 4.222 0.601 -2.132 1.00 0.00 C ATOM 539 CG PRO A 44 4.246 0.580 -3.626 1.00 0.00 C ATOM 540 CD PRO A 44 5.180 -0.531 -4.024 1.00 0.00 C ATOM 0 HA PRO A 44 4.984 -0.957 -0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.276 0.991 -1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.010 1.239 -1.733 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.247 0.409 -4.027 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.589 1.536 -4.022 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.859 -1.013 -4.948 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.192 -0.163 -4.191 1.00 0.00 H new ATOM 548 N MET A 45 2.507 -2.126 -2.499 1.00 0.00 N ATOM 549 CA MET A 45 1.200 -2.824 -2.327 1.00 0.00 C ATOM 550 C MET A 45 1.266 -3.796 -1.145 1.00 0.00 C ATOM 551 O MET A 45 0.495 -3.708 -0.212 1.00 0.00 O ATOM 552 CB MET A 45 0.983 -3.587 -3.635 1.00 0.00 C ATOM 553 CG MET A 45 0.929 -2.600 -4.803 1.00 0.00 C ATOM 554 SD MET A 45 0.153 -3.398 -6.231 1.00 0.00 S ATOM 555 CE MET A 45 1.048 -2.490 -7.515 1.00 0.00 C ATOM 0 H MET A 45 2.885 -2.140 -3.446 1.00 0.00 H new ATOM 0 HA MET A 45 0.387 -2.128 -2.119 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.790 -4.303 -3.788 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.056 -4.158 -3.585 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.364 -1.712 -4.517 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.935 -2.269 -5.060 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.719 -2.830 -8.497 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.847 -1.424 -7.414 1.00 0.00 H new ATOM 0 HE3 MET A 45 2.118 -2.669 -7.409 1.00 0.00 H new ATOM 565 N ALA A 46 2.182 -4.726 -1.181 1.00 0.00 N ATOM 566 CA ALA A 46 2.293 -5.706 -0.064 1.00 0.00 C ATOM 567 C ALA A 46 3.257 -5.191 1.010 1.00 0.00 C ATOM 568 O ALA A 46 3.247 -5.655 2.132 1.00 0.00 O ATOM 569 CB ALA A 46 2.836 -6.978 -0.707 1.00 0.00 C ATOM 0 H ALA A 46 2.857 -4.849 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 46 1.336 -5.874 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.947 -7.751 0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.144 -7.321 -1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.806 -6.772 -1.159 1.00 0.00 H new ATOM 575 N PHE A 47 4.091 -4.236 0.680 1.00 0.00 N ATOM 576 CA PHE A 47 5.049 -3.700 1.695 1.00 0.00 C ATOM 577 C PHE A 47 4.304 -3.353 2.985 1.00 0.00 C ATOM 578 O PHE A 47 4.778 -3.601 4.077 1.00 0.00 O ATOM 579 CB PHE A 47 5.639 -2.438 1.064 1.00 0.00 C ATOM 580 CG PHE A 47 6.688 -1.854 1.980 1.00 0.00 C ATOM 581 CD1 PHE A 47 8.020 -2.318 1.916 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.335 -0.841 2.901 1.00 0.00 C ATOM 583 CE1 PHE A 47 9.001 -1.769 2.773 1.00 0.00 C ATOM 584 CE2 PHE A 47 7.317 -0.292 3.757 1.00 0.00 C ATOM 585 CZ PHE A 47 8.649 -0.756 3.694 1.00 0.00 C ATOM 0 H PHE A 47 4.150 -3.807 -0.243 1.00 0.00 H new ATOM 0 HA PHE A 47 5.823 -4.423 1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.079 -2.676 0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.851 -1.707 0.885 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.289 -3.092 1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.316 -0.487 2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.020 -2.124 2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.048 0.483 4.460 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.399 -0.337 4.349 1.00 0.00 H new ATOM 595 N LEU A 48 3.133 -2.789 2.864 1.00 0.00 N ATOM 596 CA LEU A 48 2.346 -2.438 4.081 1.00 0.00 C ATOM 597 C LEU A 48 2.181 -3.681 4.963 1.00 0.00 C ATOM 598 O LEU A 48 2.586 -3.699 6.108 1.00 0.00 O ATOM 599 CB LEU A 48 0.998 -1.941 3.534 1.00 0.00 C ATOM 600 CG LEU A 48 -0.075 -1.965 4.632 1.00 0.00 C ATOM 601 CD1 LEU A 48 -0.998 -0.757 4.476 1.00 0.00 C ATOM 602 CD2 LEU A 48 -0.895 -3.250 4.504 1.00 0.00 C ATOM 0 H LEU A 48 2.688 -2.556 1.976 1.00 0.00 H new ATOM 0 HA LEU A 48 2.823 -1.682 4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.108 -0.928 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.685 -2.568 2.699 1.00 0.00 H new ATOM 0 HG LEU A 48 0.404 -1.928 5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.758 -0.777 5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.415 0.160 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.480 -0.791 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.659 -3.273 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.373 -3.281 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.239 -4.113 4.615 1.00 0.00 H new ATOM 614 N ARG A 49 1.599 -4.722 4.435 1.00 0.00 N ATOM 615 CA ARG A 49 1.421 -5.961 5.245 1.00 0.00 C ATOM 616 C ARG A 49 2.766 -6.678 5.427 1.00 0.00 C ATOM 617 O ARG A 49 2.860 -7.664 6.129 1.00 0.00 O ATOM 618 CB ARG A 49 0.457 -6.829 4.432 1.00 0.00 C ATOM 619 CG ARG A 49 1.067 -7.130 3.061 1.00 0.00 C ATOM 620 CD ARG A 49 0.404 -8.377 2.472 1.00 0.00 C ATOM 621 NE ARG A 49 1.450 -9.434 2.534 1.00 0.00 N ATOM 622 CZ ARG A 49 1.290 -10.549 1.874 1.00 0.00 C ATOM 623 NH1 ARG A 49 1.156 -10.525 0.576 1.00 0.00 N ATOM 624 NH2 ARG A 49 1.263 -11.688 2.510 1.00 0.00 N ATOM 0 H ARG A 49 1.240 -4.769 3.481 1.00 0.00 H new ATOM 0 HA ARG A 49 1.039 -5.749 6.243 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.254 -7.759 4.963 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.497 -6.316 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.926 -6.280 2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.142 -7.286 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.479 -8.662 3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.078 -8.204 1.446 1.00 0.00 H new ATOM 0 HE ARG A 49 2.291 -9.287 3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.176 -9.635 0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.031 -11.396 0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.367 -11.708 3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.138 -12.558 1.993 1.00 0.00 H new ATOM 638 N GLU A 50 3.807 -6.198 4.796 1.00 0.00 N ATOM 639 CA GLU A 50 5.131 -6.866 4.931 1.00 0.00 C ATOM 640 C GLU A 50 5.820 -6.465 6.241 1.00 0.00 C ATOM 641 O GLU A 50 6.358 -7.299 6.943 1.00 0.00 O ATOM 642 CB GLU A 50 5.943 -6.373 3.733 1.00 0.00 C ATOM 643 CG GLU A 50 7.223 -7.204 3.606 1.00 0.00 C ATOM 644 CD GLU A 50 8.128 -6.587 2.541 1.00 0.00 C ATOM 645 OE1 GLU A 50 8.574 -5.470 2.743 1.00 0.00 O ATOM 646 OE2 GLU A 50 8.361 -7.241 1.537 1.00 0.00 O ATOM 0 H GLU A 50 3.795 -5.374 4.195 1.00 0.00 H new ATOM 0 HA GLU A 50 5.035 -7.952 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.352 -6.455 2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.192 -5.319 3.858 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.743 -7.240 4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.977 -8.232 3.338 1.00 0.00 H new ATOM 653 N TYR A 51 5.830 -5.201 6.575 1.00 0.00 N ATOM 654 CA TYR A 51 6.512 -4.783 7.836 1.00 0.00 C ATOM 655 C TYR A 51 5.549 -4.797 9.028 1.00 0.00 C ATOM 656 O TYR A 51 5.964 -4.963 10.159 1.00 0.00 O ATOM 657 CB TYR A 51 7.056 -3.373 7.568 1.00 0.00 C ATOM 658 CG TYR A 51 5.941 -2.381 7.324 1.00 0.00 C ATOM 659 CD1 TYR A 51 5.074 -2.000 8.373 1.00 0.00 C ATOM 660 CD2 TYR A 51 5.785 -1.814 6.040 1.00 0.00 C ATOM 661 CE1 TYR A 51 4.052 -1.053 8.135 1.00 0.00 C ATOM 662 CE2 TYR A 51 4.764 -0.871 5.803 1.00 0.00 C ATOM 663 CZ TYR A 51 3.896 -0.490 6.849 1.00 0.00 C ATOM 664 OH TYR A 51 2.899 0.435 6.616 1.00 0.00 O ATOM 0 H TYR A 51 5.401 -4.448 6.037 1.00 0.00 H new ATOM 0 HA TYR A 51 7.313 -5.473 8.100 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.655 -3.046 8.418 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.718 -3.397 6.702 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.192 -2.432 9.356 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.449 -2.103 5.239 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.390 -0.760 8.937 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.646 -0.440 4.820 1.00 0.00 H new ATOM 0 HH TYR A 51 2.719 0.936 7.439 1.00 0.00 H new ATOM 674 N PHE A 52 4.279 -4.624 8.800 1.00 0.00 N ATOM 675 CA PHE A 52 3.321 -4.633 9.947 1.00 0.00 C ATOM 676 C PHE A 52 2.951 -6.067 10.332 1.00 0.00 C ATOM 677 O PHE A 52 2.918 -6.417 11.494 1.00 0.00 O ATOM 678 CB PHE A 52 2.085 -3.879 9.459 1.00 0.00 C ATOM 679 CG PHE A 52 1.701 -2.840 10.484 1.00 0.00 C ATOM 680 CD1 PHE A 52 2.665 -1.913 10.941 1.00 0.00 C ATOM 681 CD2 PHE A 52 0.382 -2.795 10.988 1.00 0.00 C ATOM 682 CE1 PHE A 52 2.309 -0.940 11.903 1.00 0.00 C ATOM 683 CE2 PHE A 52 0.027 -1.822 11.949 1.00 0.00 C ATOM 684 CZ PHE A 52 0.990 -0.896 12.406 1.00 0.00 C ATOM 0 H PHE A 52 3.862 -4.478 7.881 1.00 0.00 H new ATOM 0 HA PHE A 52 3.755 -4.169 10.833 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.290 -3.403 8.500 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.260 -4.573 9.300 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.673 -1.948 10.555 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.354 -3.504 10.639 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.045 -0.231 12.253 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.981 -1.787 12.334 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.718 -0.153 13.141 1.00 0.00 H new ATOM 694 N GLU A 53 2.668 -6.903 9.368 1.00 0.00 N ATOM 695 CA GLU A 53 2.296 -8.314 9.689 1.00 0.00 C ATOM 696 C GLU A 53 3.319 -8.930 10.650 1.00 0.00 C ATOM 697 O GLU A 53 2.983 -9.722 11.508 1.00 0.00 O ATOM 698 CB GLU A 53 2.314 -9.046 8.348 1.00 0.00 C ATOM 699 CG GLU A 53 1.914 -10.508 8.560 1.00 0.00 C ATOM 700 CD GLU A 53 3.166 -11.346 8.829 1.00 0.00 C ATOM 701 OE1 GLU A 53 4.191 -11.052 8.237 1.00 0.00 O ATOM 702 OE2 GLU A 53 3.078 -12.270 9.620 1.00 0.00 O ATOM 0 H GLU A 53 2.678 -6.672 8.375 1.00 0.00 H new ATOM 0 HA GLU A 53 1.324 -8.380 10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.627 -8.567 7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.308 -8.990 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.222 -10.589 9.398 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.393 -10.885 7.680 1.00 0.00 H new ATOM 709 N LYS A 54 4.567 -8.570 10.515 1.00 0.00 N ATOM 710 CA LYS A 54 5.610 -9.134 11.420 1.00 0.00 C ATOM 711 C LYS A 54 5.693 -8.311 12.709 1.00 0.00 C ATOM 712 O LYS A 54 6.004 -8.824 13.765 1.00 0.00 O ATOM 713 CB LYS A 54 6.917 -9.028 10.633 1.00 0.00 C ATOM 714 CG LYS A 54 7.483 -10.429 10.390 1.00 0.00 C ATOM 715 CD LYS A 54 7.949 -10.547 8.937 1.00 0.00 C ATOM 716 CE LYS A 54 9.343 -11.181 8.896 1.00 0.00 C ATOM 717 NZ LYS A 54 10.155 -10.266 8.049 1.00 0.00 N ATOM 0 H LYS A 54 4.910 -7.910 9.817 1.00 0.00 H new ATOM 0 HA LYS A 54 5.391 -10.161 11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.741 -8.525 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.638 -8.424 11.184 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.316 -10.618 11.067 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.723 -11.181 10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.245 -11.153 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.972 -9.562 8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.765 -11.272 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.308 -12.185 8.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.125 -10.633 7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.733 -10.205 7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.176 -9.320 8.481 1.00 0.00 H new ATOM 731 N LEU A 55 5.417 -7.037 12.629 1.00 0.00 N ATOM 732 CA LEU A 55 5.481 -6.183 13.852 1.00 0.00 C ATOM 733 C LEU A 55 4.618 -6.785 14.964 1.00 0.00 C ATOM 734 O LEU A 55 5.046 -6.916 16.093 1.00 0.00 O ATOM 735 CB LEU A 55 4.926 -4.824 13.421 1.00 0.00 C ATOM 736 CG LEU A 55 6.028 -3.768 13.527 1.00 0.00 C ATOM 737 CD1 LEU A 55 5.505 -2.429 13.000 1.00 0.00 C ATOM 738 CD2 LEU A 55 6.440 -3.609 14.994 1.00 0.00 C ATOM 0 H LEU A 55 5.151 -6.551 11.773 1.00 0.00 H new ATOM 0 HA LEU A 55 6.495 -6.103 14.244 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.556 -4.878 12.397 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.081 -4.548 14.051 1.00 0.00 H new ATOM 0 HG LEU A 55 6.889 -4.081 12.936 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.290 -1.677 13.076 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.207 -2.540 11.957 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.645 -2.116 13.592 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.225 -2.857 15.072 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.578 -3.295 15.582 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.811 -4.561 15.373 1.00 0.00 H new ATOM 750 N GLU A 56 3.404 -7.153 14.653 1.00 0.00 N ATOM 751 CA GLU A 56 2.517 -7.745 15.695 1.00 0.00 C ATOM 752 C GLU A 56 2.944 -9.182 16.000 1.00 0.00 C ATOM 753 O GLU A 56 3.455 -9.477 17.063 1.00 0.00 O ATOM 754 CB GLU A 56 1.114 -7.723 15.083 1.00 0.00 C ATOM 755 CG GLU A 56 0.229 -6.754 15.869 1.00 0.00 C ATOM 756 CD GLU A 56 -0.693 -7.544 16.799 1.00 0.00 C ATOM 757 OE1 GLU A 56 -0.371 -8.683 17.092 1.00 0.00 O ATOM 758 OE2 GLU A 56 -1.705 -6.996 17.202 1.00 0.00 O ATOM 0 H GLU A 56 2.989 -7.069 13.725 1.00 0.00 H new ATOM 0 HA GLU A 56 2.561 -7.194 16.634 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.166 -7.418 14.038 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.682 -8.724 15.102 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.847 -6.069 16.449 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.362 -6.147 15.183 1.00 0.00 H new ATOM 765 N LYS A 57 2.740 -10.079 15.077 1.00 0.00 N ATOM 766 CA LYS A 57 3.134 -11.496 15.312 1.00 0.00 C ATOM 767 C LYS A 57 4.611 -11.701 14.965 1.00 0.00 C ATOM 768 O LYS A 57 4.950 -12.442 14.063 1.00 0.00 O ATOM 769 CB LYS A 57 2.245 -12.316 14.377 1.00 0.00 C ATOM 770 CG LYS A 57 2.196 -13.767 14.859 1.00 0.00 C ATOM 771 CD LYS A 57 1.210 -13.884 16.022 1.00 0.00 C ATOM 772 CE LYS A 57 1.102 -15.348 16.457 1.00 0.00 C ATOM 773 NZ LYS A 57 0.188 -15.977 15.464 1.00 0.00 N ATOM 0 H LYS A 57 2.317 -9.892 14.168 1.00 0.00 H new ATOM 0 HA LYS A 57 3.010 -11.790 16.354 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.240 -11.896 14.353 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.633 -12.273 13.359 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.892 -14.423 14.043 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.188 -14.090 15.175 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.543 -13.269 16.858 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.231 -13.510 15.722 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.078 -15.833 16.458 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.704 -15.431 17.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.698 -16.253 15.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.020 -15.298 14.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.642 -16.821 15.060 1.00 0.00 H new ATOM 787 N GLU A 58 5.494 -11.055 15.677 1.00 0.00 N ATOM 788 CA GLU A 58 6.947 -11.215 15.388 1.00 0.00 C ATOM 789 C GLU A 58 7.434 -12.577 15.893 1.00 0.00 C ATOM 790 O GLU A 58 8.343 -13.166 15.342 1.00 0.00 O ATOM 791 CB GLU A 58 7.633 -10.082 16.152 1.00 0.00 C ATOM 792 CG GLU A 58 9.074 -9.931 15.659 1.00 0.00 C ATOM 793 CD GLU A 58 9.919 -9.271 16.749 1.00 0.00 C ATOM 794 OE1 GLU A 58 10.366 -9.979 17.637 1.00 0.00 O ATOM 795 OE2 GLU A 58 10.105 -8.066 16.679 1.00 0.00 O ATOM 0 H GLU A 58 5.272 -10.423 16.446 1.00 0.00 H new ATOM 0 HA GLU A 58 7.165 -11.173 14.321 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.088 -9.149 16.006 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.624 -10.293 17.221 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.487 -10.907 15.405 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.098 -9.329 14.751 1.00 0.00 H new ATOM 802 N GLU A 59 6.833 -13.080 16.937 1.00 0.00 N ATOM 803 CA GLU A 59 7.259 -14.404 17.479 1.00 0.00 C ATOM 804 C GLU A 59 8.771 -14.419 17.721 1.00 0.00 C ATOM 805 O GLU A 59 9.451 -13.431 17.526 1.00 0.00 O ATOM 806 CB GLU A 59 6.880 -15.414 16.394 1.00 0.00 C ATOM 807 CG GLU A 59 6.153 -16.600 17.034 1.00 0.00 C ATOM 808 CD GLU A 59 5.658 -17.545 15.937 1.00 0.00 C ATOM 809 OE1 GLU A 59 6.361 -17.698 14.952 1.00 0.00 O ATOM 810 OE2 GLU A 59 4.585 -18.099 16.103 1.00 0.00 O ATOM 0 H GLU A 59 6.066 -12.632 17.438 1.00 0.00 H new ATOM 0 HA GLU A 59 6.785 -14.631 18.434 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.241 -14.941 15.649 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.774 -15.759 15.874 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.824 -17.130 17.710 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.312 -16.246 17.631 1.00 0.00 H new ATOM 817 N ALA A 60 9.300 -15.533 18.146 1.00 0.00 N ATOM 818 CA ALA A 60 10.768 -15.614 18.400 1.00 0.00 C ATOM 819 C ALA A 60 11.278 -17.027 18.108 1.00 0.00 C ATOM 820 O ALA A 60 11.767 -17.716 18.983 1.00 0.00 O ATOM 821 CB ALA A 60 10.931 -15.279 19.884 1.00 0.00 C ATOM 0 H ALA A 60 8.780 -16.391 18.329 1.00 0.00 H new ATOM 0 HA ALA A 60 11.336 -14.935 17.764 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.987 -15.317 20.152 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.544 -14.278 20.076 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.378 -16.003 20.483 1.00 0.00 H new ATOM 827 N LYS A 61 11.165 -17.466 16.884 1.00 0.00 N ATOM 828 CA LYS A 61 11.643 -18.835 16.536 1.00 0.00 C ATOM 829 C LYS A 61 12.676 -18.763 15.408 1.00 0.00 C ATOM 830 O LYS A 61 12.803 -19.737 14.684 1.00 0.00 O ATOM 831 CB LYS A 61 10.393 -19.584 16.071 1.00 0.00 C ATOM 832 CG LYS A 61 10.633 -21.092 16.175 1.00 0.00 C ATOM 833 CD LYS A 61 9.560 -21.834 15.378 1.00 0.00 C ATOM 834 CE LYS A 61 10.053 -23.246 15.050 1.00 0.00 C ATOM 835 NZ LYS A 61 9.168 -23.715 13.946 1.00 0.00 N ATOM 836 OXT LYS A 61 13.321 -17.735 15.286 1.00 0.00 O ATOM 0 H LYS A 61 10.763 -16.937 16.110 1.00 0.00 H new ATOM 0 HA LYS A 61 12.126 -19.331 17.378 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.537 -19.298 16.682 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.155 -19.313 15.042 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.623 -21.341 15.792 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.607 -21.404 17.219 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.635 -21.884 15.952 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.335 -21.293 14.459 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.098 -23.238 14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.982 -23.901 15.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.444 -24.678 13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.180 -23.719 14.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.262 -23.076 13.131 1.00 0.00 H new TER 850 LYS A 61 ATOM 851 N SER B 12 16.781 16.148 8.368 1.00 0.00 N ATOM 852 CA SER B 12 16.836 14.725 7.924 1.00 0.00 C ATOM 853 C SER B 12 15.446 14.088 8.015 1.00 0.00 C ATOM 854 O SER B 12 15.019 13.375 7.128 1.00 0.00 O ATOM 855 CB SER B 12 17.802 14.047 8.893 1.00 0.00 C ATOM 856 OG SER B 12 17.673 12.636 8.773 1.00 0.00 O ATOM 0 HA SER B 12 17.162 14.627 6.888 1.00 0.00 H new ATOM 0 HB2 SER B 12 18.826 14.350 8.676 1.00 0.00 H new ATOM 0 HB3 SER B 12 17.588 14.358 9.916 1.00 0.00 H new ATOM 0 HG SER B 12 18.293 12.197 9.392 1.00 0.00 H new ATOM 864 N LEU B 13 14.740 14.338 9.083 1.00 0.00 N ATOM 865 CA LEU B 13 13.380 13.746 9.233 1.00 0.00 C ATOM 866 C LEU B 13 12.349 14.579 8.468 1.00 0.00 C ATOM 867 O LEU B 13 11.341 14.076 8.016 1.00 0.00 O ATOM 868 CB LEU B 13 13.093 13.789 10.733 1.00 0.00 C ATOM 869 CG LEU B 13 12.140 12.653 11.104 1.00 0.00 C ATOM 870 CD1 LEU B 13 12.948 11.415 11.490 1.00 0.00 C ATOM 871 CD2 LEU B 13 11.270 13.082 12.287 1.00 0.00 C ATOM 0 H LEU B 13 15.045 14.926 9.858 1.00 0.00 H new ATOM 0 HA LEU B 13 13.327 12.733 8.835 1.00 0.00 H new ATOM 0 HB2 LEU B 13 14.023 13.696 11.294 1.00 0.00 H new ATOM 0 HB3 LEU B 13 12.653 14.749 11.002 1.00 0.00 H new ATOM 0 HG LEU B 13 11.504 12.420 10.250 1.00 0.00 H new ATOM 0 HD11 LEU B 13 12.268 10.605 11.755 1.00 0.00 H new ATOM 0 HD12 LEU B 13 13.568 11.108 10.648 1.00 0.00 H new ATOM 0 HD13 LEU B 13 13.585 11.648 12.343 1.00 0.00 H new ATOM 0 HD21 LEU B 13 10.590 12.272 12.552 1.00 0.00 H new ATOM 0 HD22 LEU B 13 11.906 13.315 13.141 1.00 0.00 H new ATOM 0 HD23 LEU B 13 10.693 13.965 12.013 1.00 0.00 H new ATOM 883 N ARG B 14 12.594 15.852 8.322 1.00 0.00 N ATOM 884 CA ARG B 14 11.628 16.717 7.587 1.00 0.00 C ATOM 885 C ARG B 14 11.765 16.498 6.079 1.00 0.00 C ATOM 886 O ARG B 14 10.791 16.482 5.351 1.00 0.00 O ATOM 887 CB ARG B 14 12.012 18.150 7.961 1.00 0.00 C ATOM 888 CG ARG B 14 10.830 18.838 8.650 1.00 0.00 C ATOM 889 CD ARG B 14 10.309 19.969 7.760 1.00 0.00 C ATOM 890 NE ARG B 14 9.490 20.824 8.663 1.00 0.00 N ATOM 891 CZ ARG B 14 8.204 20.931 8.473 1.00 0.00 C ATOM 892 NH1 ARG B 14 7.388 20.084 9.039 1.00 0.00 N ATOM 893 NH2 ARG B 14 7.734 21.885 7.717 1.00 0.00 N ATOM 0 H ARG B 14 13.421 16.331 8.680 1.00 0.00 H new ATOM 0 HA ARG B 14 10.593 16.494 7.847 1.00 0.00 H new ATOM 0 HB2 ARG B 14 12.878 18.144 8.623 1.00 0.00 H new ATOM 0 HB3 ARG B 14 12.298 18.705 7.068 1.00 0.00 H new ATOM 0 HG2 ARG B 14 10.036 18.116 8.841 1.00 0.00 H new ATOM 0 HG3 ARG B 14 11.139 19.235 9.617 1.00 0.00 H new ATOM 0 HD2 ARG B 14 11.130 20.534 7.319 1.00 0.00 H new ATOM 0 HD3 ARG B 14 9.711 19.579 6.936 1.00 0.00 H new ATOM 0 HE ARG B 14 9.935 21.327 9.431 1.00 0.00 H new ATOM 0 HH11 ARG B 14 7.756 19.338 9.630 1.00 0.00 H new ATOM 0 HH12 ARG B 14 6.382 20.168 8.890 1.00 0.00 H new ATOM 0 HH21 ARG B 14 8.372 22.547 7.275 1.00 0.00 H new ATOM 0 HH22 ARG B 14 6.728 21.969 7.568 1.00 0.00 H new ATOM 907 N GLU B 15 12.969 16.329 5.601 1.00 0.00 N ATOM 908 CA GLU B 15 13.169 16.113 4.139 1.00 0.00 C ATOM 909 C GLU B 15 12.558 14.775 3.704 1.00 0.00 C ATOM 910 O GLU B 15 12.373 14.522 2.531 1.00 0.00 O ATOM 911 CB GLU B 15 14.684 16.095 3.944 1.00 0.00 C ATOM 912 CG GLU B 15 15.253 17.484 4.242 1.00 0.00 C ATOM 913 CD GLU B 15 16.205 17.899 3.117 1.00 0.00 C ATOM 914 OE1 GLU B 15 17.335 17.441 3.127 1.00 0.00 O ATOM 915 OE2 GLU B 15 15.786 18.669 2.268 1.00 0.00 O ATOM 0 H GLU B 15 13.822 16.331 6.160 1.00 0.00 H new ATOM 0 HA GLU B 15 12.688 16.888 3.542 1.00 0.00 H new ATOM 0 HB2 GLU B 15 15.138 15.355 4.604 1.00 0.00 H new ATOM 0 HB3 GLU B 15 14.927 15.802 2.922 1.00 0.00 H new ATOM 0 HG2 GLU B 15 14.443 18.208 4.333 1.00 0.00 H new ATOM 0 HG3 GLU B 15 15.782 17.475 5.195 1.00 0.00 H new ATOM 922 N CYS B 16 12.239 13.917 4.638 1.00 0.00 N ATOM 923 CA CYS B 16 11.641 12.603 4.266 1.00 0.00 C ATOM 924 C CYS B 16 10.241 12.800 3.666 1.00 0.00 C ATOM 925 O CYS B 16 9.663 11.886 3.113 1.00 0.00 O ATOM 926 CB CYS B 16 11.557 11.820 5.578 1.00 0.00 C ATOM 927 SG CYS B 16 11.348 10.057 5.217 1.00 0.00 S ATOM 0 H CYS B 16 12.367 14.070 5.638 1.00 0.00 H new ATOM 0 HA CYS B 16 12.234 12.081 3.515 1.00 0.00 H new ATOM 0 HB2 CYS B 16 12.461 11.977 6.166 1.00 0.00 H new ATOM 0 HB3 CYS B 16 10.721 12.181 6.177 1.00 0.00 H new ATOM 932 N GLU B 17 9.693 13.982 3.769 1.00 0.00 N ATOM 933 CA GLU B 17 8.335 14.225 3.202 1.00 0.00 C ATOM 934 C GLU B 17 8.423 14.516 1.699 1.00 0.00 C ATOM 935 O GLU B 17 7.430 14.511 0.998 1.00 0.00 O ATOM 936 CB GLU B 17 7.806 15.446 3.953 1.00 0.00 C ATOM 937 CG GLU B 17 7.371 15.034 5.361 1.00 0.00 C ATOM 938 CD GLU B 17 6.238 15.946 5.833 1.00 0.00 C ATOM 939 OE1 GLU B 17 5.151 15.839 5.290 1.00 0.00 O ATOM 940 OE2 GLU B 17 6.477 16.738 6.732 1.00 0.00 O ATOM 0 H GLU B 17 10.126 14.788 4.220 1.00 0.00 H new ATOM 0 HA GLU B 17 7.683 13.359 3.316 1.00 0.00 H new ATOM 0 HB2 GLU B 17 8.578 16.213 4.010 1.00 0.00 H new ATOM 0 HB3 GLU B 17 6.964 15.881 3.414 1.00 0.00 H new ATOM 0 HG2 GLU B 17 7.040 13.995 5.361 1.00 0.00 H new ATOM 0 HG3 GLU B 17 8.215 15.100 6.048 1.00 0.00 H new ATOM 947 N LEU B 18 9.601 14.776 1.196 1.00 0.00 N ATOM 948 CA LEU B 18 9.740 15.071 -0.259 1.00 0.00 C ATOM 949 C LEU B 18 9.127 13.943 -1.094 1.00 0.00 C ATOM 950 O LEU B 18 8.367 14.180 -2.013 1.00 0.00 O ATOM 951 CB LEU B 18 11.248 15.161 -0.503 1.00 0.00 C ATOM 952 CG LEU B 18 11.713 16.601 -0.283 1.00 0.00 C ATOM 953 CD1 LEU B 18 13.241 16.642 -0.202 1.00 0.00 C ATOM 954 CD2 LEU B 18 11.242 17.471 -1.450 1.00 0.00 C ATOM 0 H LEU B 18 10.470 14.797 1.729 1.00 0.00 H new ATOM 0 HA LEU B 18 9.225 15.988 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.778 14.489 0.172 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.483 14.842 -1.519 1.00 0.00 H new ATOM 0 HG LEU B 18 11.292 16.979 0.649 1.00 0.00 H new ATOM 0 HD11 LEU B 18 13.570 17.669 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU B 18 13.578 16.022 0.629 1.00 0.00 H new ATOM 0 HD13 LEU B 18 13.665 16.263 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU B 18 11.573 18.498 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU B 18 11.663 17.091 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU B 18 10.154 17.445 -1.507 1.00 0.00 H new ATOM 966 N TYR B 19 9.452 12.716 -0.785 1.00 0.00 N ATOM 967 CA TYR B 19 8.887 11.577 -1.564 1.00 0.00 C ATOM 968 C TYR B 19 7.467 11.240 -1.090 1.00 0.00 C ATOM 969 O TYR B 19 6.855 10.305 -1.567 1.00 0.00 O ATOM 970 CB TYR B 19 9.835 10.404 -1.290 1.00 0.00 C ATOM 971 CG TYR B 19 9.293 9.150 -1.938 1.00 0.00 C ATOM 972 CD1 TYR B 19 9.272 9.034 -3.346 1.00 0.00 C ATOM 973 CD2 TYR B 19 8.803 8.094 -1.136 1.00 0.00 C ATOM 974 CE1 TYR B 19 8.766 7.863 -3.951 1.00 0.00 C ATOM 975 CE2 TYR B 19 8.296 6.924 -1.740 1.00 0.00 C ATOM 976 CZ TYR B 19 8.276 6.807 -3.148 1.00 0.00 C ATOM 977 OH TYR B 19 7.781 5.662 -3.739 1.00 0.00 O ATOM 0 H TYR B 19 10.083 12.454 -0.028 1.00 0.00 H new ATOM 0 HA TYR B 19 8.811 11.809 -2.626 1.00 0.00 H new ATOM 0 HB2 TYR B 19 10.828 10.627 -1.681 1.00 0.00 H new ATOM 0 HB3 TYR B 19 9.942 10.253 -0.216 1.00 0.00 H new ATOM 0 HD1 TYR B 19 9.643 9.841 -3.960 1.00 0.00 H new ATOM 0 HD2 TYR B 19 8.817 8.183 -0.060 1.00 0.00 H new ATOM 0 HE1 TYR B 19 8.753 7.774 -5.027 1.00 0.00 H new ATOM 0 HE2 TYR B 19 7.923 6.118 -1.126 1.00 0.00 H new ATOM 0 HH TYR B 19 7.487 5.036 -3.044 1.00 0.00 H new ATOM 987 N VAL B 20 6.937 11.984 -0.156 1.00 0.00 N ATOM 988 CA VAL B 20 5.562 11.681 0.330 1.00 0.00 C ATOM 989 C VAL B 20 4.523 12.442 -0.495 1.00 0.00 C ATOM 990 O VAL B 20 3.624 13.063 0.036 1.00 0.00 O ATOM 991 CB VAL B 20 5.540 12.146 1.787 1.00 0.00 C ATOM 992 CG1 VAL B 20 4.155 11.900 2.383 1.00 0.00 C ATOM 993 CG2 VAL B 20 6.583 11.361 2.586 1.00 0.00 C ATOM 0 H VAL B 20 7.393 12.781 0.287 1.00 0.00 H new ATOM 0 HA VAL B 20 5.320 10.622 0.238 1.00 0.00 H new ATOM 0 HB VAL B 20 5.769 13.211 1.831 1.00 0.00 H new ATOM 0 HG11 VAL B 20 4.141 12.232 3.421 1.00 0.00 H new ATOM 0 HG12 VAL B 20 3.410 12.457 1.814 1.00 0.00 H new ATOM 0 HG13 VAL B 20 3.924 10.836 2.339 1.00 0.00 H new ATOM 0 HG21 VAL B 20 6.569 11.691 3.625 1.00 0.00 H new ATOM 0 HG22 VAL B 20 6.351 10.297 2.540 1.00 0.00 H new ATOM 0 HG23 VAL B 20 7.572 11.536 2.163 1.00 0.00 H new ATOM 1003 N GLN B 21 4.634 12.390 -1.793 1.00 0.00 N ATOM 1004 CA GLN B 21 3.649 13.101 -2.651 1.00 0.00 C ATOM 1005 C GLN B 21 2.480 12.168 -2.978 1.00 0.00 C ATOM 1006 O GLN B 21 2.249 11.192 -2.295 1.00 0.00 O ATOM 1007 CB GLN B 21 4.419 13.465 -3.921 1.00 0.00 C ATOM 1008 CG GLN B 21 4.451 14.986 -4.082 1.00 0.00 C ATOM 1009 CD GLN B 21 5.214 15.346 -5.358 1.00 0.00 C ATOM 1010 OE1 GLN B 21 4.676 15.979 -6.243 1.00 0.00 O ATOM 1011 NE2 GLN B 21 6.456 14.963 -5.491 1.00 0.00 N ATOM 0 H GLN B 21 5.364 11.886 -2.296 1.00 0.00 H new ATOM 0 HA GLN B 21 3.231 13.983 -2.166 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.435 13.073 -3.868 1.00 0.00 H new ATOM 0 HB3 GLN B 21 3.946 13.007 -4.789 1.00 0.00 H new ATOM 0 HG2 GLN B 21 3.435 15.379 -4.129 1.00 0.00 H new ATOM 0 HG3 GLN B 21 4.930 15.444 -3.217 1.00 0.00 H new ATOM 0 HE21 GLN B 21 6.908 14.431 -4.747 1.00 0.00 H new ATOM 0 HE22 GLN B 21 6.974 15.196 -6.339 1.00 0.00 H new ATOM 1020 N LYS B 22 1.748 12.454 -4.020 1.00 0.00 N ATOM 1021 CA LYS B 22 0.608 11.565 -4.385 1.00 0.00 C ATOM 1022 C LYS B 22 1.158 10.246 -4.930 1.00 0.00 C ATOM 1023 O LYS B 22 1.007 9.926 -6.092 1.00 0.00 O ATOM 1024 CB LYS B 22 -0.165 12.321 -5.465 1.00 0.00 C ATOM 1025 CG LYS B 22 -1.584 12.607 -4.967 1.00 0.00 C ATOM 1026 CD LYS B 22 -2.330 13.447 -6.006 1.00 0.00 C ATOM 1027 CE LYS B 22 -3.835 13.369 -5.735 1.00 0.00 C ATOM 1028 NZ LYS B 22 -4.408 14.572 -6.400 1.00 0.00 N ATOM 0 H LYS B 22 1.888 13.259 -4.631 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.033 11.328 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS B 22 0.343 13.255 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.201 11.732 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -2.115 11.671 -4.791 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -1.547 13.136 -4.015 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -1.994 14.483 -5.962 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -2.110 13.083 -7.010 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -4.262 12.452 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -4.044 13.372 -4.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -5.438 14.589 -6.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -3.988 15.430 -5.988 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -4.199 14.538 -7.418 1.00 0.00 H new ATOM 1042 N HIS B 23 1.814 9.489 -4.095 1.00 0.00 N ATOM 1043 CA HIS B 23 2.400 8.198 -4.552 1.00 0.00 C ATOM 1044 C HIS B 23 2.892 7.377 -3.358 1.00 0.00 C ATOM 1045 O HIS B 23 2.807 6.166 -3.345 1.00 0.00 O ATOM 1046 CB HIS B 23 3.587 8.605 -5.422 1.00 0.00 C ATOM 1047 CG HIS B 23 4.022 7.436 -6.261 1.00 0.00 C ATOM 1048 ND1 HIS B 23 5.357 7.178 -6.536 1.00 0.00 N ATOM 1049 CD2 HIS B 23 3.312 6.446 -6.893 1.00 0.00 C ATOM 1050 CE1 HIS B 23 5.408 6.073 -7.301 1.00 0.00 C ATOM 1051 NE2 HIS B 23 4.188 5.585 -7.550 1.00 0.00 N ATOM 0 H HIS B 23 1.970 9.710 -3.112 1.00 0.00 H new ATOM 0 HA HIS B 23 1.674 7.584 -5.084 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.311 9.443 -6.063 1.00 0.00 H new ATOM 0 HB3 HIS B 23 4.412 8.942 -4.794 1.00 0.00 H new ATOM 0 HD2 HIS B 23 2.236 6.349 -6.883 1.00 0.00 H new ATOM 0 HE1 HIS B 23 6.323 5.633 -7.669 1.00 0.00 H new ATOM 0 HE2 HIS B 23 3.950 4.761 -8.102 1.00 0.00 H new ATOM 1059 N ASN B 24 3.428 8.032 -2.364 1.00 0.00 N ATOM 1060 CA ASN B 24 3.952 7.302 -1.173 1.00 0.00 C ATOM 1061 C ASN B 24 2.834 6.507 -0.476 1.00 0.00 C ATOM 1062 O ASN B 24 1.929 5.999 -1.107 1.00 0.00 O ATOM 1063 CB ASN B 24 4.520 8.411 -0.270 1.00 0.00 C ATOM 1064 CG ASN B 24 3.395 9.123 0.494 1.00 0.00 C ATOM 1065 OD1 ASN B 24 3.103 8.782 1.623 1.00 0.00 O ATOM 1066 ND2 ASN B 24 2.751 10.101 -0.078 1.00 0.00 N ATOM 0 H ASN B 24 3.526 9.047 -2.325 1.00 0.00 H new ATOM 0 HA ASN B 24 4.709 6.561 -1.431 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.231 7.982 0.437 1.00 0.00 H new ATOM 0 HB3 ASN B 24 5.068 9.133 -0.875 1.00 0.00 H new ATOM 0 HD21 ASN B 24 2.002 10.580 0.422 1.00 0.00 H new ATOM 0 HD22 ASN B 24 2.996 10.388 -1.026 1.00 0.00 H new ATOM 1073 N ILE B 25 2.901 6.392 0.824 1.00 0.00 N ATOM 1074 CA ILE B 25 1.858 5.627 1.568 1.00 0.00 C ATOM 1075 C ILE B 25 0.452 6.121 1.211 1.00 0.00 C ATOM 1076 O ILE B 25 -0.522 5.425 1.402 1.00 0.00 O ATOM 1077 CB ILE B 25 2.160 5.892 3.042 1.00 0.00 C ATOM 1078 CG1 ILE B 25 3.565 5.380 3.372 1.00 0.00 C ATOM 1079 CG2 ILE B 25 1.134 5.167 3.919 1.00 0.00 C ATOM 1080 CD1 ILE B 25 4.443 6.551 3.811 1.00 0.00 C ATOM 0 H ILE B 25 3.636 6.796 1.404 1.00 0.00 H new ATOM 0 HA ILE B 25 1.880 4.565 1.322 1.00 0.00 H new ATOM 0 HB ILE B 25 2.105 6.963 3.235 1.00 0.00 H new ATOM 0 HG12 ILE B 25 3.515 4.632 4.164 1.00 0.00 H new ATOM 0 HG13 ILE B 25 4.000 4.892 2.500 1.00 0.00 H new ATOM 0 HG21 ILE B 25 1.353 5.359 4.969 1.00 0.00 H new ATOM 0 HG22 ILE B 25 0.134 5.531 3.685 1.00 0.00 H new ATOM 0 HG23 ILE B 25 1.184 4.095 3.728 1.00 0.00 H new ATOM 0 HD11 ILE B 25 5.443 6.188 4.046 1.00 0.00 H new ATOM 0 HD12 ILE B 25 4.503 7.283 3.005 1.00 0.00 H new ATOM 0 HD13 ILE B 25 4.010 7.019 4.695 1.00 0.00 H new ATOM 1092 N GLN B 26 0.331 7.318 0.696 1.00 0.00 N ATOM 1093 CA GLN B 26 -1.021 7.850 0.336 1.00 0.00 C ATOM 1094 C GLN B 26 -1.842 6.804 -0.433 1.00 0.00 C ATOM 1095 O GLN B 26 -3.058 6.821 -0.414 1.00 0.00 O ATOM 1096 CB GLN B 26 -0.744 9.066 -0.550 1.00 0.00 C ATOM 1097 CG GLN B 26 -1.689 10.204 -0.160 1.00 0.00 C ATOM 1098 CD GLN B 26 -0.925 11.246 0.656 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -0.378 10.940 1.697 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -0.862 12.478 0.226 1.00 0.00 N ATOM 0 H GLN B 26 1.109 7.951 0.509 1.00 0.00 H new ATOM 0 HA GLN B 26 -1.602 8.105 1.222 1.00 0.00 H new ATOM 0 HB2 GLN B 26 0.292 9.384 -0.437 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -0.884 8.805 -1.599 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -2.109 10.664 -1.054 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -2.525 9.814 0.421 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -1.320 12.737 -0.648 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -0.354 13.181 0.764 1.00 0.00 H new ATOM 1109 N ALA B 27 -1.191 5.894 -1.106 1.00 0.00 N ATOM 1110 CA ALA B 27 -1.940 4.853 -1.874 1.00 0.00 C ATOM 1111 C ALA B 27 -2.745 3.957 -0.922 1.00 0.00 C ATOM 1112 O ALA B 27 -3.959 4.007 -0.891 1.00 0.00 O ATOM 1113 CB ALA B 27 -0.861 4.038 -2.588 1.00 0.00 C ATOM 0 H ALA B 27 -0.175 5.825 -1.158 1.00 0.00 H new ATOM 0 HA ALA B 27 -2.653 5.292 -2.571 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -1.330 3.249 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -0.289 4.691 -3.247 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.194 3.592 -1.850 1.00 0.00 H new ATOM 1119 N LEU B 28 -2.081 3.135 -0.153 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.810 2.231 0.786 1.00 0.00 C ATOM 1121 C LEU B 28 -3.703 3.043 1.733 1.00 0.00 C ATOM 1122 O LEU B 28 -4.616 2.519 2.340 1.00 0.00 O ATOM 1123 CB LEU B 28 -1.714 1.498 1.567 1.00 0.00 C ATOM 1124 CG LEU B 28 -0.946 2.489 2.442 1.00 0.00 C ATOM 1125 CD1 LEU B 28 -1.369 2.319 3.901 1.00 0.00 C ATOM 1126 CD2 LEU B 28 0.555 2.225 2.312 1.00 0.00 C ATOM 0 H LEU B 28 -1.065 3.050 -0.134 1.00 0.00 H new ATOM 0 HA LEU B 28 -3.466 1.538 0.260 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -2.157 0.719 2.188 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.031 1.005 0.876 1.00 0.00 H new ATOM 0 HG LEU B 28 -1.167 3.506 2.118 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -0.821 3.026 4.524 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -2.439 2.507 3.994 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -1.150 1.302 4.227 1.00 0.00 H new ATOM 0 HD21 LEU B 28 1.104 2.931 2.935 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.775 1.208 2.636 1.00 0.00 H new ATOM 0 HD23 LEU B 28 0.857 2.348 1.272 1.00 0.00 H new ATOM 1138 N LEU B 29 -3.441 4.314 1.872 1.00 0.00 N ATOM 1139 CA LEU B 29 -4.273 5.149 2.786 1.00 0.00 C ATOM 1140 C LEU B 29 -5.620 5.483 2.137 1.00 0.00 C ATOM 1141 O LEU B 29 -6.593 5.749 2.815 1.00 0.00 O ATOM 1142 CB LEU B 29 -3.455 6.420 3.012 1.00 0.00 C ATOM 1143 CG LEU B 29 -2.195 6.080 3.813 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -1.352 7.343 3.998 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -2.593 5.527 5.183 1.00 0.00 C ATOM 0 H LEU B 29 -2.689 4.810 1.394 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.498 4.634 3.720 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.182 6.864 2.055 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.051 7.159 3.548 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.614 5.331 3.275 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -0.455 7.101 4.568 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.067 7.736 3.022 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.933 8.093 4.536 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -1.696 5.285 5.752 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -3.175 6.275 5.722 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -3.193 4.626 5.052 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.689 5.471 0.833 1.00 0.00 N ATOM 1158 CA LYS B 30 -6.982 5.791 0.153 1.00 0.00 C ATOM 1159 C LYS B 30 -8.117 4.954 0.750 1.00 0.00 C ATOM 1160 O LYS B 30 -9.055 5.476 1.324 1.00 0.00 O ATOM 1161 CB LYS B 30 -6.762 5.428 -1.316 1.00 0.00 C ATOM 1162 CG LYS B 30 -8.067 5.628 -2.092 1.00 0.00 C ATOM 1163 CD LYS B 30 -7.818 5.399 -3.584 1.00 0.00 C ATOM 1164 CE LYS B 30 -8.780 6.263 -4.400 1.00 0.00 C ATOM 1165 NZ LYS B 30 -8.562 5.854 -5.815 1.00 0.00 N ATOM 0 H LYS B 30 -4.911 5.255 0.210 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.262 6.837 0.275 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.974 6.050 -1.741 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -6.431 4.393 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -8.827 4.936 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -8.449 6.636 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -6.787 5.649 -3.834 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -7.960 4.347 -3.830 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -9.814 6.097 -4.096 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -8.573 7.324 -4.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -9.189 6.405 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -7.571 6.030 -6.079 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -8.774 4.841 -5.920 1.00 0.00 H new ATOM 1179 N ASP B 31 -8.041 3.657 0.622 1.00 0.00 N ATOM 1180 CA ASP B 31 -9.117 2.789 1.183 1.00 0.00 C ATOM 1181 C ASP B 31 -9.057 2.791 2.713 1.00 0.00 C ATOM 1182 O ASP B 31 -10.069 2.775 3.384 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.821 1.392 0.636 1.00 0.00 C ATOM 1184 CG ASP B 31 -9.616 1.167 -0.652 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -9.651 2.073 -1.468 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -10.176 0.095 -0.798 1.00 0.00 O ATOM 0 H ASP B 31 -7.282 3.161 0.154 1.00 0.00 H new ATOM 0 HA ASP B 31 -10.113 3.134 0.906 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.754 1.285 0.440 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -9.086 0.637 1.376 1.00 0.00 H new ATOM 1191 N SER B 32 -7.876 2.808 3.272 1.00 0.00 N ATOM 1192 CA SER B 32 -7.755 2.810 4.757 1.00 0.00 C ATOM 1193 C SER B 32 -8.566 3.963 5.355 1.00 0.00 C ATOM 1194 O SER B 32 -9.384 3.771 6.233 1.00 0.00 O ATOM 1195 CB SER B 32 -6.265 3.004 5.035 1.00 0.00 C ATOM 1196 OG SER B 32 -5.962 2.519 6.335 1.00 0.00 O ATOM 0 H SER B 32 -6.992 2.821 2.764 1.00 0.00 H new ATOM 0 HA SER B 32 -8.136 1.890 5.201 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.672 2.474 4.289 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.004 4.059 4.958 1.00 0.00 H new ATOM 0 HG SER B 32 -5.382 1.732 6.264 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.347 5.161 4.885 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.108 6.325 5.424 1.00 0.00 C ATOM 1204 C ILE B 33 -10.612 6.083 5.277 1.00 0.00 C ATOM 1205 O ILE B 33 -11.387 6.379 6.165 1.00 0.00 O ATOM 1206 CB ILE B 33 -8.664 7.514 4.572 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -7.179 7.792 4.820 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -9.483 8.751 4.948 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -6.672 8.820 3.805 1.00 0.00 C ATOM 0 H ILE B 33 -7.674 5.384 4.151 1.00 0.00 H new ATOM 0 HA ILE B 33 -8.918 6.493 6.484 1.00 0.00 H new ATOM 0 HB ILE B 33 -8.822 7.283 3.519 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.033 8.165 5.834 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -6.607 6.868 4.734 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -9.164 9.597 4.339 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -10.541 8.555 4.771 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -9.328 8.983 6.002 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -5.615 9.016 3.983 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -6.803 8.430 2.796 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -7.236 9.746 3.912 1.00 0.00 H new ATOM 1221 N VAL B 34 -11.031 5.547 4.164 1.00 0.00 N ATOM 1222 CA VAL B 34 -12.486 5.286 3.965 1.00 0.00 C ATOM 1223 C VAL B 34 -13.034 4.424 5.104 1.00 0.00 C ATOM 1224 O VAL B 34 -14.115 4.657 5.609 1.00 0.00 O ATOM 1225 CB VAL B 34 -12.578 4.534 2.636 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -14.034 4.157 2.365 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -12.066 5.432 1.508 1.00 0.00 C ATOM 0 H VAL B 34 -10.431 5.279 3.384 1.00 0.00 H new ATOM 0 HA VAL B 34 -13.069 6.207 3.955 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.971 3.630 2.686 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -14.101 3.621 1.418 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -14.401 3.519 3.170 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -14.640 5.061 2.314 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -12.131 4.898 0.560 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -12.674 6.335 1.458 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -11.028 5.703 1.702 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.297 3.428 5.515 1.00 0.00 N ATOM 1238 CA GLN B 35 -12.776 2.550 6.620 1.00 0.00 C ATOM 1239 C GLN B 35 -12.464 3.185 7.979 1.00 0.00 C ATOM 1240 O GLN B 35 -13.269 3.156 8.887 1.00 0.00 O ATOM 1241 CB GLN B 35 -12.008 1.239 6.450 1.00 0.00 C ATOM 1242 CG GLN B 35 -12.593 0.452 5.275 1.00 0.00 C ATOM 1243 CD GLN B 35 -12.876 -0.986 5.716 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -13.780 -1.230 6.491 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -12.134 -1.955 5.253 1.00 0.00 N ATOM 0 H GLN B 35 -11.383 3.184 5.133 1.00 0.00 H new ATOM 0 HA GLN B 35 -13.855 2.397 6.584 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -10.952 1.444 6.274 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -12.070 0.648 7.364 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -13.512 0.925 4.928 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -11.896 0.456 4.437 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -11.375 -1.750 4.603 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.313 -2.917 5.542 1.00 0.00 H new ATOM 1254 N LEU B 36 -11.298 3.756 8.125 1.00 0.00 N ATOM 1255 CA LEU B 36 -10.940 4.390 9.427 1.00 0.00 C ATOM 1256 C LEU B 36 -11.989 5.435 9.814 1.00 0.00 C ATOM 1257 O LEU B 36 -12.127 5.792 10.967 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.583 5.054 9.188 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.474 4.181 9.782 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -8.680 4.049 11.291 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -8.516 2.793 9.138 1.00 0.00 C ATOM 0 H LEU B 36 -10.581 3.811 7.402 1.00 0.00 H new ATOM 0 HA LEU B 36 -10.900 3.665 10.240 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -9.418 5.193 8.120 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -9.565 6.044 9.645 1.00 0.00 H new ATOM 0 HG LEU B 36 -7.506 4.643 9.587 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -7.890 3.427 11.713 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -8.649 5.037 11.750 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -9.648 3.588 11.487 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.727 2.172 9.561 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -9.484 2.331 9.332 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.367 2.886 8.062 1.00 0.00 H new ATOM 1273 N CYS B 37 -12.732 5.928 8.859 1.00 0.00 N ATOM 1274 CA CYS B 37 -13.773 6.951 9.176 1.00 0.00 C ATOM 1275 C CYS B 37 -14.668 6.455 10.315 1.00 0.00 C ATOM 1276 O CYS B 37 -15.112 7.221 11.148 1.00 0.00 O ATOM 1277 CB CYS B 37 -14.581 7.110 7.888 1.00 0.00 C ATOM 1278 SG CYS B 37 -14.845 8.870 7.558 1.00 0.00 S ATOM 0 H CYS B 37 -12.664 5.668 7.875 1.00 0.00 H new ATOM 0 HA CYS B 37 -13.338 7.896 9.501 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -14.052 6.648 7.054 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -15.539 6.598 7.981 1.00 0.00 H new ATOM 1283 N THR B 38 -14.934 5.179 10.360 1.00 0.00 N ATOM 1284 CA THR B 38 -15.796 4.635 11.448 1.00 0.00 C ATOM 1285 C THR B 38 -15.156 4.914 12.811 1.00 0.00 C ATOM 1286 O THR B 38 -15.816 4.916 13.831 1.00 0.00 O ATOM 1287 CB THR B 38 -15.864 3.131 11.185 1.00 0.00 C ATOM 1288 OG1 THR B 38 -16.454 2.900 9.913 1.00 0.00 O ATOM 1289 CG2 THR B 38 -16.704 2.458 12.270 1.00 0.00 C ATOM 0 H THR B 38 -14.592 4.489 9.691 1.00 0.00 H new ATOM 0 HA THR B 38 -16.786 5.090 11.460 1.00 0.00 H new ATOM 0 HB THR B 38 -14.857 2.714 11.199 1.00 0.00 H new ATOM 0 HG1 THR B 38 -16.497 1.936 9.742 1.00 0.00 H new ATOM 0 HG21 THR B 38 -16.751 1.386 12.081 1.00 0.00 H new ATOM 0 HG22 THR B 38 -16.249 2.635 13.245 1.00 0.00 H new ATOM 0 HG23 THR B 38 -17.712 2.873 12.260 1.00 0.00 H new ATOM 1297 N ALA B 39 -13.870 5.154 12.836 1.00 0.00 N ATOM 1298 CA ALA B 39 -13.184 5.434 14.130 1.00 0.00 C ATOM 1299 C ALA B 39 -13.450 4.308 15.132 1.00 0.00 C ATOM 1300 O ALA B 39 -13.322 4.487 16.326 1.00 0.00 O ATOM 1301 CB ALA B 39 -13.791 6.746 14.626 1.00 0.00 C ATOM 0 H ALA B 39 -13.266 5.168 12.014 1.00 0.00 H new ATOM 0 HA ALA B 39 -12.102 5.502 14.013 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -13.336 7.021 15.578 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -13.605 7.532 13.895 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -14.866 6.622 14.760 1.00 0.00 H new ATOM 1307 N ARG B 40 -13.817 3.149 14.658 1.00 0.00 N ATOM 1308 CA ARG B 40 -14.087 2.020 15.592 1.00 0.00 C ATOM 1309 C ARG B 40 -13.281 0.778 15.184 1.00 0.00 C ATOM 1310 O ARG B 40 -13.829 -0.304 15.086 1.00 0.00 O ATOM 1311 CB ARG B 40 -15.586 1.752 15.457 1.00 0.00 C ATOM 1312 CG ARG B 40 -16.018 0.737 16.518 1.00 0.00 C ATOM 1313 CD ARG B 40 -16.753 1.461 17.645 1.00 0.00 C ATOM 1314 NE ARG B 40 -15.760 2.426 18.192 1.00 0.00 N ATOM 1315 CZ ARG B 40 -15.227 2.219 19.366 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -14.764 1.039 19.676 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -15.157 3.193 20.231 1.00 0.00 N ATOM 0 H ARG B 40 -13.941 2.936 13.668 1.00 0.00 H new ATOM 0 HA ARG B 40 -13.800 2.256 16.617 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -16.145 2.680 15.577 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -15.810 1.371 14.461 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -16.666 -0.018 16.072 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -15.147 0.215 16.914 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -17.639 1.975 17.273 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -17.088 0.762 18.411 1.00 0.00 H new ATOM 0 HE ARG B 40 -15.496 3.249 17.650 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -14.818 0.276 19.001 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -14.348 0.879 20.594 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -15.519 4.116 19.990 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -14.741 3.032 21.148 1.00 0.00 H new ATOM 1331 N PRO B 41 -12.001 0.965 14.964 1.00 0.00 N ATOM 1332 CA PRO B 41 -11.134 -0.173 14.570 1.00 0.00 C ATOM 1333 C PRO B 41 -10.855 -1.068 15.781 1.00 0.00 C ATOM 1334 O PRO B 41 -10.077 -0.725 16.651 1.00 0.00 O ATOM 1335 CB PRO B 41 -9.851 0.501 14.092 1.00 0.00 C ATOM 1336 CG PRO B 41 -9.820 1.822 14.792 1.00 0.00 C ATOM 1337 CD PRO B 41 -11.250 2.224 15.051 1.00 0.00 C ATOM 0 HA PRO B 41 -11.583 -0.812 13.809 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -8.975 -0.098 14.341 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -9.853 0.629 13.009 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -9.266 1.748 15.728 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -9.315 2.570 14.180 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -11.362 2.687 16.031 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -11.600 2.948 14.315 1.00 0.00 H new ATOM 1345 N GLU B 42 -11.480 -2.213 15.847 1.00 0.00 N ATOM 1346 CA GLU B 42 -11.243 -3.123 17.005 1.00 0.00 C ATOM 1347 C GLU B 42 -9.741 -3.364 17.190 1.00 0.00 C ATOM 1348 O GLU B 42 -9.255 -3.510 18.293 1.00 0.00 O ATOM 1349 CB GLU B 42 -11.953 -4.427 16.636 1.00 0.00 C ATOM 1350 CG GLU B 42 -11.804 -5.429 17.782 1.00 0.00 C ATOM 1351 CD GLU B 42 -13.171 -5.685 18.420 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -13.706 -4.763 19.016 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -13.659 -6.796 18.300 1.00 0.00 O ATOM 0 H GLU B 42 -12.142 -2.557 15.152 1.00 0.00 H new ATOM 0 HA GLU B 42 -11.616 -2.706 17.941 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -13.008 -4.236 16.440 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -11.528 -4.839 15.721 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -11.384 -6.363 17.409 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -11.110 -5.043 18.528 1.00 0.00 H new ATOM 1360 N ARG B 43 -9.005 -3.400 16.115 1.00 0.00 N ATOM 1361 CA ARG B 43 -7.535 -3.626 16.218 1.00 0.00 C ATOM 1362 C ARG B 43 -6.835 -3.070 14.971 1.00 0.00 C ATOM 1363 O ARG B 43 -6.711 -3.755 13.977 1.00 0.00 O ATOM 1364 CB ARG B 43 -7.370 -5.144 16.296 1.00 0.00 C ATOM 1365 CG ARG B 43 -8.030 -5.797 15.079 1.00 0.00 C ATOM 1366 CD ARG B 43 -9.043 -6.843 15.547 1.00 0.00 C ATOM 1367 NE ARG B 43 -9.033 -7.887 14.483 1.00 0.00 N ATOM 1368 CZ ARG B 43 -9.741 -8.972 14.627 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -10.979 -9.004 14.215 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -9.211 -10.027 15.186 1.00 0.00 N ATOM 0 H ARG B 43 -9.359 -3.282 15.166 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.096 -3.128 17.082 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -6.312 -5.403 16.331 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.821 -5.522 17.213 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -8.527 -5.040 14.472 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -7.273 -6.265 14.449 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -8.762 -7.261 16.514 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -10.035 -6.408 15.664 1.00 0.00 H new ATOM 0 HE ARG B 43 -8.472 -7.752 13.642 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -11.393 -8.180 13.780 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -11.532 -9.853 14.328 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -8.244 -10.001 15.509 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -9.764 -10.876 15.299 1.00 0.00 H new ATOM 1384 N PRO B 44 -6.403 -1.835 15.059 1.00 0.00 N ATOM 1385 CA PRO B 44 -5.720 -1.186 13.911 1.00 0.00 C ATOM 1386 C PRO B 44 -4.353 -1.830 13.663 1.00 0.00 C ATOM 1387 O PRO B 44 -3.840 -1.815 12.560 1.00 0.00 O ATOM 1388 CB PRO B 44 -5.573 0.269 14.356 1.00 0.00 C ATOM 1389 CG PRO B 44 -5.604 0.218 15.848 1.00 0.00 C ATOM 1390 CD PRO B 44 -6.498 -0.937 16.220 1.00 0.00 C ATOM 0 HA PRO B 44 -6.269 -1.284 12.975 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -4.640 0.701 13.995 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -6.382 0.886 13.965 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -4.601 0.078 16.252 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -5.986 1.152 16.260 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -6.162 -1.426 17.134 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -7.524 -0.611 16.392 1.00 0.00 H new ATOM 1398 N MET B 45 -3.762 -2.401 14.678 1.00 0.00 N ATOM 1399 CA MET B 45 -2.430 -3.049 14.498 1.00 0.00 C ATOM 1400 C MET B 45 -2.456 -3.998 13.295 1.00 0.00 C ATOM 1401 O MET B 45 -1.681 -3.861 12.369 1.00 0.00 O ATOM 1402 CB MET B 45 -2.195 -3.833 15.789 1.00 0.00 C ATOM 1403 CG MET B 45 -2.184 -2.871 16.978 1.00 0.00 C ATOM 1404 SD MET B 45 -1.386 -3.671 18.392 1.00 0.00 S ATOM 1405 CE MET B 45 -2.318 -2.819 19.689 1.00 0.00 C ATOM 0 H MET B 45 -4.143 -2.447 15.623 1.00 0.00 H new ATOM 0 HA MET B 45 -1.641 -2.321 14.310 1.00 0.00 H new ATOM 0 HB2 MET B 45 -2.977 -4.580 15.920 1.00 0.00 H new ATOM 0 HB3 MET B 45 -1.248 -4.369 15.733 1.00 0.00 H new ATOM 0 HG2 MET B 45 -1.652 -1.957 16.715 1.00 0.00 H new ATOM 0 HG3 MET B 45 -3.203 -2.583 17.236 1.00 0.00 H new ATOM 0 HE1 MET B 45 -1.982 -3.166 20.666 1.00 0.00 H new ATOM 0 HE2 MET B 45 -2.153 -1.744 19.609 1.00 0.00 H new ATOM 0 HE3 MET B 45 -3.381 -3.033 19.574 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.338 -4.959 13.306 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.409 -5.918 12.168 1.00 0.00 C ATOM 1417 C ALA B 46 -4.386 -5.415 11.100 1.00 0.00 C ATOM 1418 O ALA B 46 -4.355 -5.854 9.967 1.00 0.00 O ATOM 1419 CB ALA B 46 -3.907 -7.224 12.779 1.00 0.00 C ATOM 0 H ALA B 46 -4.012 -5.122 14.054 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.444 -6.040 11.676 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -3.986 -7.983 12.001 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.205 -7.559 13.543 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -4.886 -7.064 13.231 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.252 -4.496 11.444 1.00 0.00 N ATOM 1426 CA PHE B 47 -6.227 -3.973 10.436 1.00 0.00 C ATOM 1427 C PHE B 47 -5.488 -3.571 9.157 1.00 0.00 C ATOM 1428 O PHE B 47 -5.949 -3.806 8.059 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.863 -2.748 11.092 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.926 -2.183 10.180 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -9.242 -2.694 10.229 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -7.604 -1.142 9.281 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -10.238 -2.164 9.379 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -8.602 -0.612 8.431 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.917 -1.123 8.478 1.00 0.00 C ATOM 0 H PHE B 47 -5.327 -4.086 12.375 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.974 -4.717 10.158 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.301 -3.022 12.052 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -6.102 -1.994 11.293 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -9.487 -3.490 10.917 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -6.598 -0.752 9.243 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -11.244 -2.554 9.417 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -8.358 0.185 7.745 1.00 0.00 H new ATOM 0 HZ PHE B 47 -10.677 -0.719 7.826 1.00 0.00 H new ATOM 1445 N LEU B 48 -4.334 -2.976 9.298 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.554 -2.570 8.094 1.00 0.00 C ATOM 1447 C LEU B 48 -3.342 -3.787 7.187 1.00 0.00 C ATOM 1448 O LEU B 48 -3.738 -3.792 6.038 1.00 0.00 O ATOM 1449 CB LEU B 48 -2.228 -2.039 8.659 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.148 -2.003 7.569 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -0.271 -0.764 7.749 1.00 0.00 C ATOM 1452 CD2 LEU B 48 -0.279 -3.258 7.678 1.00 0.00 C ATOM 0 H LEU B 48 -3.899 -2.754 10.193 1.00 0.00 H new ATOM 0 HA LEU B 48 -4.054 -1.817 7.484 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.375 -1.038 9.065 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.899 -2.672 9.483 1.00 0.00 H new ATOM 0 HG LEU B 48 -1.625 -1.967 6.590 1.00 0.00 H new ATOM 0 HD11 LEU B 48 0.494 -0.744 6.973 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -0.887 0.132 7.675 1.00 0.00 H new ATOM 0 HD13 LEU B 48 0.207 -0.796 8.728 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.490 -3.237 6.905 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.194 -3.289 8.660 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -0.901 -4.144 7.547 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.728 -4.818 7.695 1.00 0.00 N ATOM 1465 CA ARG B 49 -2.501 -6.031 6.861 1.00 0.00 C ATOM 1466 C ARG B 49 -3.818 -6.793 6.655 1.00 0.00 C ATOM 1467 O ARG B 49 -3.871 -7.768 5.934 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.511 -6.881 7.662 1.00 0.00 C ATOM 1469 CG ARG B 49 -2.117 -7.234 9.022 1.00 0.00 C ATOM 1470 CD ARG B 49 -1.412 -8.467 9.590 1.00 0.00 C ATOM 1471 NE ARG B 49 -2.418 -9.562 9.497 1.00 0.00 N ATOM 1472 CZ ARG B 49 -2.224 -10.684 10.134 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -2.100 -10.685 11.433 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -2.153 -11.806 9.472 1.00 0.00 N ATOM 0 H ARG B 49 -2.374 -4.874 8.650 1.00 0.00 H new ATOM 0 HA ARG B 49 -2.121 -5.783 5.870 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -1.271 -7.791 7.113 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -0.577 -6.336 7.800 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -2.012 -6.394 9.708 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -3.184 -7.428 8.917 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -0.514 -8.706 9.020 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -1.100 -8.304 10.622 1.00 0.00 H new ATOM 0 HE ARG B 49 -3.259 -9.434 8.935 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -2.155 -9.808 11.951 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -1.948 -11.563 11.930 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -2.249 -11.806 8.457 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -2.001 -12.683 9.970 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.878 -6.363 7.289 1.00 0.00 N ATOM 1489 CA GLU B 50 -6.179 -7.075 7.131 1.00 0.00 C ATOM 1490 C GLU B 50 -6.876 -6.671 5.827 1.00 0.00 C ATOM 1491 O GLU B 50 -7.380 -7.509 5.105 1.00 0.00 O ATOM 1492 CB GLU B 50 -7.011 -6.639 8.338 1.00 0.00 C ATOM 1493 CG GLU B 50 -8.261 -7.515 8.439 1.00 0.00 C ATOM 1494 CD GLU B 50 -9.195 -6.950 9.511 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -9.679 -5.846 9.324 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -9.409 -7.630 10.501 1.00 0.00 O ATOM 0 H GLU B 50 -4.898 -5.552 7.907 1.00 0.00 H new ATOM 0 HA GLU B 50 -6.046 -8.156 7.084 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -6.420 -6.723 9.250 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -7.295 -5.591 8.238 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -8.773 -7.549 7.477 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -7.981 -8.539 8.688 1.00 0.00 H new ATOM 1503 N TYR B 51 -6.930 -5.401 5.522 1.00 0.00 N ATOM 1504 CA TYR B 51 -7.623 -4.980 4.266 1.00 0.00 C ATOM 1505 C TYR B 51 -6.656 -4.933 3.078 1.00 0.00 C ATOM 1506 O TYR B 51 -7.059 -5.087 1.944 1.00 0.00 O ATOM 1507 CB TYR B 51 -8.215 -3.596 4.561 1.00 0.00 C ATOM 1508 CG TYR B 51 -7.136 -2.573 4.831 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -6.278 -2.138 3.795 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -7.008 -2.028 6.129 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -5.291 -1.160 4.060 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -6.020 -1.056 6.392 1.00 0.00 C ATOM 1513 CZ TYR B 51 -5.162 -0.621 5.360 1.00 0.00 C ATOM 1514 OH TYR B 51 -4.199 0.334 5.619 1.00 0.00 O ATOM 0 H TYR B 51 -6.531 -4.645 6.079 1.00 0.00 H new ATOM 0 HA TYR B 51 -8.398 -5.693 3.985 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -8.821 -3.271 3.715 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -8.879 -3.660 5.423 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -6.376 -2.552 2.802 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -7.667 -2.356 6.920 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -4.636 -0.825 3.269 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -5.920 -0.644 7.385 1.00 0.00 H new ATOM 0 HH TYR B 51 -4.033 0.860 4.809 1.00 0.00 H new ATOM 1524 N PHE B 52 -5.391 -4.723 3.319 1.00 0.00 N ATOM 1525 CA PHE B 52 -4.429 -4.670 2.177 1.00 0.00 C ATOM 1526 C PHE B 52 -4.007 -6.084 1.764 1.00 0.00 C ATOM 1527 O PHE B 52 -3.957 -6.405 0.593 1.00 0.00 O ATOM 1528 CB PHE B 52 -3.223 -3.887 2.689 1.00 0.00 C ATOM 1529 CG PHE B 52 -2.869 -2.812 1.689 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -3.861 -1.909 1.245 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -1.549 -2.709 1.198 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -3.533 -0.905 0.308 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -1.220 -1.705 0.259 1.00 0.00 C ATOM 1534 CZ PHE B 52 -2.215 -0.803 -0.186 1.00 0.00 C ATOM 0 H PHE B 52 -4.984 -4.587 4.244 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.874 -4.200 1.300 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -3.449 -3.440 3.657 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -2.376 -4.556 2.837 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -4.870 -1.987 1.622 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.791 -3.398 1.540 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -4.291 -0.215 -0.031 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.211 -1.627 -0.118 1.00 0.00 H new ATOM 0 HZ PHE B 52 -1.966 -0.036 -0.904 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.697 -6.928 2.711 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.272 -8.316 2.361 1.00 0.00 C ATOM 1546 C GLU B 53 -4.268 -8.950 1.383 1.00 0.00 C ATOM 1547 O GLU B 53 -3.899 -9.717 0.515 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.267 -9.076 3.686 1.00 0.00 C ATOM 1549 CG GLU B 53 -2.815 -10.518 3.445 1.00 0.00 C ATOM 1550 CD GLU B 53 -4.034 -11.396 3.153 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -5.074 -11.146 3.741 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -3.907 -12.302 2.347 1.00 0.00 O ATOM 0 H GLU B 53 -3.719 -6.718 3.709 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.297 -8.335 1.875 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.599 -8.588 4.395 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.263 -9.065 4.128 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -2.118 -10.556 2.608 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.284 -10.894 4.319 1.00 0.00 H new ATOM 1559 N LYS B 54 -5.528 -8.633 1.516 1.00 0.00 N ATOM 1560 CA LYS B 54 -6.544 -9.217 0.593 1.00 0.00 C ATOM 1561 C LYS B 54 -6.649 -8.370 -0.678 1.00 0.00 C ATOM 1562 O LYS B 54 -6.936 -8.872 -1.747 1.00 0.00 O ATOM 1563 CB LYS B 54 -7.859 -9.177 1.374 1.00 0.00 C ATOM 1564 CG LYS B 54 -8.373 -10.603 1.584 1.00 0.00 C ATOM 1565 CD LYS B 54 -8.842 -10.770 3.031 1.00 0.00 C ATOM 1566 CE LYS B 54 -10.212 -11.452 3.049 1.00 0.00 C ATOM 1567 NZ LYS B 54 -11.062 -10.583 3.910 1.00 0.00 N ATOM 0 H LYS B 54 -5.897 -7.996 2.222 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.286 -10.229 0.281 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -7.708 -8.688 2.337 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -8.599 -8.589 0.831 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -9.195 -10.809 0.898 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -7.584 -11.322 1.361 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -8.121 -11.365 3.592 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -8.902 -9.797 3.519 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -10.624 -11.536 2.044 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -10.145 -12.463 3.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -12.019 -10.985 3.972 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -10.648 -10.527 4.862 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -11.113 -9.629 3.498 1.00 0.00 H new ATOM 1581 N LEU B 55 -6.420 -7.090 -0.570 1.00 0.00 N ATOM 1582 CA LEU B 55 -6.507 -6.215 -1.775 1.00 0.00 C ATOM 1583 C LEU B 55 -5.617 -6.761 -2.894 1.00 0.00 C ATOM 1584 O LEU B 55 -6.033 -6.883 -4.028 1.00 0.00 O ATOM 1585 CB LEU B 55 -6.003 -4.846 -1.311 1.00 0.00 C ATOM 1586 CG LEU B 55 -7.140 -3.826 -1.401 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -6.668 -2.482 -0.841 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -7.551 -3.652 -2.865 1.00 0.00 C ATOM 0 H LEU B 55 -6.177 -6.612 0.298 1.00 0.00 H new ATOM 0 HA LEU B 55 -7.521 -6.164 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -5.638 -4.909 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -5.164 -4.527 -1.929 1.00 0.00 H new ATOM 0 HG LEU B 55 -7.993 -4.180 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -7.479 -1.756 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -6.373 -2.605 0.201 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -5.815 -2.126 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -8.361 -2.926 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -6.697 -3.298 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -7.888 -4.609 -3.265 1.00 0.00 H new ATOM 1600 N GLU B 56 -4.393 -7.091 -2.582 1.00 0.00 N ATOM 1601 CA GLU B 56 -3.477 -7.630 -3.631 1.00 0.00 C ATOM 1602 C GLU B 56 -3.853 -9.074 -3.969 1.00 0.00 C ATOM 1603 O GLU B 56 -4.349 -9.362 -5.041 1.00 0.00 O ATOM 1604 CB GLU B 56 -2.081 -7.573 -3.010 1.00 0.00 C ATOM 1605 CG GLU B 56 -1.227 -6.554 -3.770 1.00 0.00 C ATOM 1606 CD GLU B 56 -0.273 -7.291 -4.713 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -0.553 -8.434 -5.032 1.00 0.00 O ATOM 1608 OE2 GLU B 56 0.722 -6.698 -5.098 1.00 0.00 O ATOM 0 H GLU B 56 -3.988 -7.012 -1.649 1.00 0.00 H new ATOM 0 HA GLU B 56 -3.533 -7.060 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -2.150 -7.294 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -1.613 -8.557 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -1.867 -5.878 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -0.661 -5.942 -3.068 1.00 0.00 H new ATOM 1615 N LYS B 57 -3.621 -9.981 -3.063 1.00 0.00 N ATOM 1616 CA LYS B 57 -3.962 -11.408 -3.331 1.00 0.00 C ATOM 1617 C LYS B 57 -5.432 -11.672 -2.997 1.00 0.00 C ATOM 1618 O LYS B 57 -5.750 -12.440 -2.110 1.00 0.00 O ATOM 1619 CB LYS B 57 -3.049 -12.216 -2.408 1.00 0.00 C ATOM 1620 CG LYS B 57 -2.946 -13.652 -2.922 1.00 0.00 C ATOM 1621 CD LYS B 57 -1.950 -13.709 -4.082 1.00 0.00 C ATOM 1622 CE LYS B 57 -1.787 -15.159 -4.546 1.00 0.00 C ATOM 1623 NZ LYS B 57 -0.856 -15.775 -3.563 1.00 0.00 N ATOM 0 H LYS B 57 -3.210 -9.797 -2.148 1.00 0.00 H new ATOM 0 HA LYS B 57 -3.821 -11.676 -4.378 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -2.059 -11.761 -2.368 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -3.444 -12.210 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -2.623 -14.315 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -3.924 -14.003 -3.251 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -2.301 -13.089 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -0.987 -13.306 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -2.745 -15.679 -4.561 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -1.382 -15.207 -5.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 0.047 -15.993 -4.030 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -0.689 -15.111 -2.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -1.274 -16.652 -3.191 1.00 0.00 H new ATOM 1637 N GLU B 58 -6.333 -11.043 -3.701 1.00 0.00 N ATOM 1638 CA GLU B 58 -7.782 -11.262 -3.423 1.00 0.00 C ATOM 1639 C GLU B 58 -8.217 -12.628 -3.959 1.00 0.00 C ATOM 1640 O GLU B 58 -9.104 -13.263 -3.425 1.00 0.00 O ATOM 1641 CB GLU B 58 -8.502 -10.138 -4.168 1.00 0.00 C ATOM 1642 CG GLU B 58 -9.952 -10.049 -3.682 1.00 0.00 C ATOM 1643 CD GLU B 58 -10.813 -9.397 -4.763 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -11.229 -10.103 -5.667 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -11.043 -8.202 -4.670 1.00 0.00 O ATOM 0 H GLU B 58 -6.129 -10.388 -4.456 1.00 0.00 H new ATOM 0 HA GLU B 58 -8.007 -11.251 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -7.992 -9.190 -3.998 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.478 -10.325 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -10.331 -11.045 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -10.003 -9.467 -2.762 1.00 0.00 H new ATOM 1652 N GLU B 59 -7.596 -13.087 -5.012 1.00 0.00 N ATOM 1653 CA GLU B 59 -7.970 -14.412 -5.583 1.00 0.00 C ATOM 1654 C GLU B 59 -9.480 -14.479 -5.833 1.00 0.00 C ATOM 1655 O GLU B 59 -10.196 -13.521 -5.616 1.00 0.00 O ATOM 1656 CB GLU B 59 -7.559 -15.430 -4.518 1.00 0.00 C ATOM 1657 CG GLU B 59 -6.789 -16.577 -5.178 1.00 0.00 C ATOM 1658 CD GLU B 59 -6.264 -17.524 -4.100 1.00 0.00 C ATOM 1659 OE1 GLU B 59 -6.967 -17.727 -3.122 1.00 0.00 O ATOM 1660 OE2 GLU B 59 -5.169 -18.035 -4.268 1.00 0.00 O ATOM 0 H GLU B 59 -6.845 -12.601 -5.502 1.00 0.00 H new ATOM 0 HA GLU B 59 -7.483 -14.600 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -6.939 -14.950 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -8.442 -15.816 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU B 59 -7.439 -17.117 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU B 59 -5.960 -16.182 -5.766 1.00 0.00 H new ATOM 1667 N ALA B 60 -9.966 -15.601 -6.287 1.00 0.00 N ATOM 1668 CA ALA B 60 -11.428 -15.727 -6.550 1.00 0.00 C ATOM 1669 C ALA B 60 -11.887 -17.164 -6.290 1.00 0.00 C ATOM 1670 O ALA B 60 -12.347 -17.850 -7.182 1.00 0.00 O ATOM 1671 CB ALA B 60 -11.595 -15.369 -8.028 1.00 0.00 C ATOM 0 H ALA B 60 -9.415 -16.436 -6.487 1.00 0.00 H new ATOM 0 HA ALA B 60 -12.023 -15.081 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -12.648 -15.438 -8.302 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -11.241 -14.352 -8.198 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -11.015 -16.062 -8.638 1.00 0.00 H new ATOM 1677 N LYS B 61 -11.768 -17.624 -5.075 1.00 0.00 N ATOM 1678 CA LYS B 61 -12.199 -19.016 -4.758 1.00 0.00 C ATOM 1679 C LYS B 61 -13.238 -19.006 -3.634 1.00 0.00 C ATOM 1680 O LYS B 61 -13.334 -20.001 -2.935 1.00 0.00 O ATOM 1681 CB LYS B 61 -10.924 -19.731 -4.304 1.00 0.00 C ATOM 1682 CG LYS B 61 -11.110 -21.242 -4.440 1.00 0.00 C ATOM 1683 CD LYS B 61 -10.016 -21.964 -3.651 1.00 0.00 C ATOM 1684 CE LYS B 61 -10.462 -23.398 -3.355 1.00 0.00 C ATOM 1685 NZ LYS B 61 -9.567 -23.860 -2.258 1.00 0.00 N ATOM 1686 OXT LYS B 61 -13.922 -18.006 -3.493 1.00 0.00 O ATOM 0 H LYS B 61 -11.391 -17.097 -4.288 1.00 0.00 H new ATOM 0 HA LYS B 61 -12.662 -19.510 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -10.077 -19.403 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -10.699 -19.473 -3.269 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -12.093 -21.533 -4.069 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -11.067 -21.531 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -9.087 -21.971 -4.220 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -9.815 -21.435 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -11.508 -23.431 -3.051 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -10.365 -24.032 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -9.811 -24.837 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -8.578 -23.824 -2.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -9.686 -23.242 -1.430 1.00 0.00 H new TER 1700 LYS B 61