USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot 180:sc= 0.225 USER MOD Set 1.2: A 76 SER OG : rot 66:sc= 0.236 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 55 GLN : amide:sc= -0.0754 X(o=-0.075,f=-0.27) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=-0.35) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0601 X(o=-0.06,f=-0.49) USER MOD Single : A 7 HIS : no HD1:sc= -0.0429 X(o=-0.043,f=-0.043) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 4:sc= 0.265 USER MOD Single : A 10 HIS : no HE2:sc= 0.0192 K(o=0.019,f=-0.7) USER MOD Single : A 11 MET CE :methyl -140:sc= -0.249 (180deg=-2.76!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.473 X(o=-0.47,f=-0.049) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 74:sc= 1.21 USER MOD Single : A 41 SER OG : rot 130:sc= -0.908 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00178 USER MOD Single : A 51 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= 0.436 K(o=0.44,f=-1.8!) USER MOD Single : A 59 HIS : no HD1:sc= -0.743 K(o=-0.74,f=-1.7) USER MOD Single : A 60 THR OG1 : rot 120:sc= 0.0243 USER MOD Single : A 61 TYR OH : rot -90:sc= 1.03 USER MOD Single : A 74 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.18) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 15:sc= -0.685 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 99 GLN : amide:sc= -1.33! C(o=-1.3!,f=-5.1!) USER MOD Single : A 103 CYS SG : rot -169:sc= -1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.365 -0.732 -9.889 1.00 0.00 N ATOM 2 CA MET A 1 19.427 -1.832 -10.864 1.00 0.00 C ATOM 3 C MET A 1 18.187 -1.790 -11.776 1.00 0.00 C ATOM 4 O MET A 1 17.062 -2.045 -11.322 1.00 0.00 O ATOM 5 CB MET A 1 19.550 -3.204 -10.141 1.00 0.00 C ATOM 6 CG MET A 1 20.867 -3.422 -9.376 1.00 0.00 C ATOM 7 SD MET A 1 20.963 -5.072 -8.637 1.00 0.00 S ATOM 8 CE MET A 1 22.602 -5.055 -7.914 1.00 0.00 C ATOM 0 H1 MET A 1 20.204 -0.764 -9.275 1.00 0.00 H new ATOM 0 H2 MET A 1 19.339 0.177 -10.393 1.00 0.00 H new ATOM 0 H3 MET A 1 18.508 -0.831 -9.309 1.00 0.00 H new ATOM 0 HA MET A 1 20.316 -1.708 -11.483 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.720 -3.304 -9.441 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.441 -3.998 -10.880 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.708 -3.280 -10.055 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.960 -2.669 -8.593 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.794 -6.010 -7.425 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.343 -4.892 -8.696 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.667 -4.252 -7.180 1.00 0.00 H new ATOM 20 N GLY A 2 18.420 -1.457 -13.057 1.00 0.00 N ATOM 21 CA GLY A 2 17.370 -1.348 -14.063 1.00 0.00 C ATOM 22 C GLY A 2 17.947 -0.984 -15.426 1.00 0.00 C ATOM 23 O GLY A 2 17.336 -0.231 -16.196 1.00 0.00 O ATOM 0 H GLY A 2 19.353 -1.256 -13.418 1.00 0.00 H new ATOM 0 HA2 GLY A 2 16.831 -2.293 -14.134 1.00 0.00 H new ATOM 0 HA3 GLY A 2 16.647 -0.591 -13.757 1.00 0.00 H new ATOM 27 N HIS A 3 19.133 -1.545 -15.729 1.00 0.00 N ATOM 28 CA HIS A 3 19.849 -1.304 -17.002 1.00 0.00 C ATOM 29 C HIS A 3 19.216 -2.130 -18.159 1.00 0.00 C ATOM 30 O HIS A 3 19.608 -2.000 -19.319 1.00 0.00 O ATOM 31 CB HIS A 3 21.362 -1.613 -16.809 1.00 0.00 C ATOM 32 CG HIS A 3 22.236 -1.336 -18.013 1.00 0.00 C ATOM 33 ND1 HIS A 3 22.506 -2.287 -18.973 1.00 0.00 N ATOM 34 CD2 HIS A 3 22.880 -0.213 -18.416 1.00 0.00 C ATOM 35 CE1 HIS A 3 23.270 -1.763 -19.910 1.00 0.00 C ATOM 36 NE2 HIS A 3 23.512 -0.506 -19.600 1.00 0.00 N ATOM 0 H HIS A 3 19.624 -2.179 -15.099 1.00 0.00 H new ATOM 0 HA HIS A 3 19.753 -0.256 -17.285 1.00 0.00 H new ATOM 0 HB2 HIS A 3 21.732 -1.025 -15.969 1.00 0.00 H new ATOM 0 HB3 HIS A 3 21.470 -2.663 -16.536 1.00 0.00 H new ATOM 0 HD2 HIS A 3 22.894 0.736 -17.901 1.00 0.00 H new ATOM 0 HE1 HIS A 3 23.636 -2.278 -20.786 1.00 0.00 H new ATOM 0 HE2 HIS A 3 24.076 0.143 -20.149 1.00 0.00 H new ATOM 45 N HIS A 4 18.234 -2.987 -17.828 1.00 0.00 N ATOM 46 CA HIS A 4 17.357 -3.636 -18.819 1.00 0.00 C ATOM 47 C HIS A 4 15.940 -3.059 -18.665 1.00 0.00 C ATOM 48 O HIS A 4 15.051 -3.702 -18.089 1.00 0.00 O ATOM 49 CB HIS A 4 17.347 -5.178 -18.645 1.00 0.00 C ATOM 50 CG HIS A 4 18.654 -5.861 -18.941 1.00 0.00 C ATOM 51 ND1 HIS A 4 19.196 -6.828 -18.125 1.00 0.00 N ATOM 52 CD2 HIS A 4 19.486 -5.762 -20.004 1.00 0.00 C ATOM 53 CE1 HIS A 4 20.302 -7.299 -18.671 1.00 0.00 C ATOM 54 NE2 HIS A 4 20.498 -6.670 -19.814 1.00 0.00 N ATOM 0 H HIS A 4 18.026 -3.250 -16.865 1.00 0.00 H new ATOM 0 HA HIS A 4 17.734 -3.434 -19.822 1.00 0.00 H new ATOM 0 HB2 HIS A 4 17.057 -5.411 -17.620 1.00 0.00 H new ATOM 0 HB3 HIS A 4 16.580 -5.597 -19.296 1.00 0.00 H new ATOM 0 HD2 HIS A 4 19.375 -5.093 -20.845 1.00 0.00 H new ATOM 0 HE1 HIS A 4 20.937 -8.067 -18.254 1.00 0.00 H new ATOM 0 HE2 HIS A 4 21.276 -6.832 -20.453 1.00 0.00 H new ATOM 63 N HIS A 5 15.757 -1.809 -19.125 1.00 0.00 N ATOM 64 CA HIS A 5 14.452 -1.125 -19.072 1.00 0.00 C ATOM 65 C HIS A 5 13.537 -1.676 -20.180 1.00 0.00 C ATOM 66 O HIS A 5 13.720 -1.368 -21.358 1.00 0.00 O ATOM 67 CB HIS A 5 14.631 0.413 -19.210 1.00 0.00 C ATOM 68 CG HIS A 5 13.368 1.220 -19.002 1.00 0.00 C ATOM 69 ND1 HIS A 5 13.036 1.805 -17.798 1.00 0.00 N ATOM 70 CD2 HIS A 5 12.372 1.561 -19.862 1.00 0.00 C ATOM 71 CE1 HIS A 5 11.901 2.465 -17.925 1.00 0.00 C ATOM 72 NE2 HIS A 5 11.479 2.331 -19.163 1.00 0.00 N ATOM 0 H HIS A 5 16.501 -1.249 -19.540 1.00 0.00 H new ATOM 0 HA HIS A 5 13.987 -1.317 -18.105 1.00 0.00 H new ATOM 0 HB2 HIS A 5 15.379 0.744 -18.490 1.00 0.00 H new ATOM 0 HB3 HIS A 5 15.025 0.631 -20.202 1.00 0.00 H new ATOM 0 HD2 HIS A 5 12.298 1.278 -20.902 1.00 0.00 H new ATOM 0 HE1 HIS A 5 11.403 3.021 -17.145 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.623 2.736 -19.543 1.00 0.00 H new ATOM 81 N HIS A 6 12.594 -2.539 -19.787 1.00 0.00 N ATOM 82 CA HIS A 6 11.532 -3.056 -20.664 1.00 0.00 C ATOM 83 C HIS A 6 10.178 -2.466 -20.227 1.00 0.00 C ATOM 84 O HIS A 6 9.764 -2.636 -19.078 1.00 0.00 O ATOM 85 CB HIS A 6 11.511 -4.611 -20.644 1.00 0.00 C ATOM 86 CG HIS A 6 11.479 -5.245 -19.263 1.00 0.00 C ATOM 87 ND1 HIS A 6 10.318 -5.427 -18.541 1.00 0.00 N ATOM 88 CD2 HIS A 6 12.478 -5.735 -18.478 1.00 0.00 C ATOM 89 CE1 HIS A 6 10.600 -5.989 -17.383 1.00 0.00 C ATOM 90 NE2 HIS A 6 11.898 -6.185 -17.318 1.00 0.00 N ATOM 0 H HIS A 6 12.544 -2.905 -18.836 1.00 0.00 H new ATOM 0 HA HIS A 6 11.729 -2.751 -21.692 1.00 0.00 H new ATOM 0 HB2 HIS A 6 10.640 -4.953 -21.202 1.00 0.00 H new ATOM 0 HB3 HIS A 6 12.392 -4.976 -21.173 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.530 -5.764 -18.722 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.884 -6.246 -16.616 1.00 0.00 H new ATOM 0 HE2 HIS A 6 12.395 -6.604 -16.532 1.00 0.00 H new ATOM 99 N HIS A 7 9.476 -1.802 -21.168 1.00 0.00 N ATOM 100 CA HIS A 7 8.185 -1.109 -20.900 1.00 0.00 C ATOM 101 C HIS A 7 6.983 -2.096 -20.854 1.00 0.00 C ATOM 102 O HIS A 7 5.831 -1.698 -21.069 1.00 0.00 O ATOM 103 CB HIS A 7 7.960 0.028 -21.943 1.00 0.00 C ATOM 104 CG HIS A 7 7.971 -0.405 -23.383 1.00 0.00 C ATOM 105 ND1 HIS A 7 9.037 -0.180 -24.220 1.00 0.00 N ATOM 106 CD2 HIS A 7 7.041 -1.037 -24.137 1.00 0.00 C ATOM 107 CE1 HIS A 7 8.768 -0.648 -25.418 1.00 0.00 C ATOM 108 NE2 HIS A 7 7.559 -1.179 -25.398 1.00 0.00 N ATOM 0 H HIS A 7 9.783 -1.727 -22.138 1.00 0.00 H new ATOM 0 HA HIS A 7 8.246 -0.661 -19.908 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.004 0.507 -21.733 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.732 0.784 -21.803 1.00 0.00 H new ATOM 0 HD2 HIS A 7 6.068 -1.369 -23.805 1.00 0.00 H new ATOM 0 HE1 HIS A 7 9.425 -0.606 -26.274 1.00 0.00 H new ATOM 0 HE2 HIS A 7 7.089 -1.621 -26.188 1.00 0.00 H new ATOM 117 N HIS A 8 7.265 -3.377 -20.560 1.00 0.00 N ATOM 118 CA HIS A 8 6.249 -4.413 -20.302 1.00 0.00 C ATOM 119 C HIS A 8 6.518 -5.021 -18.914 1.00 0.00 C ATOM 120 O HIS A 8 6.529 -6.243 -18.729 1.00 0.00 O ATOM 121 CB HIS A 8 6.298 -5.485 -21.421 1.00 0.00 C ATOM 122 CG HIS A 8 5.899 -4.974 -22.780 1.00 0.00 C ATOM 123 ND1 HIS A 8 6.728 -5.017 -23.877 1.00 0.00 N ATOM 124 CD2 HIS A 8 4.748 -4.395 -23.208 1.00 0.00 C ATOM 125 CE1 HIS A 8 6.111 -4.487 -24.914 1.00 0.00 C ATOM 126 NE2 HIS A 8 4.913 -4.103 -24.535 1.00 0.00 N ATOM 0 H HIS A 8 8.221 -3.728 -20.494 1.00 0.00 H new ATOM 0 HA HIS A 8 5.247 -3.984 -20.308 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.309 -5.888 -21.479 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.641 -6.310 -21.148 1.00 0.00 H new ATOM 0 HD2 HIS A 8 3.868 -4.201 -22.613 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.521 -4.385 -25.908 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.217 -3.658 -25.134 1.00 0.00 H new ATOM 135 N SER A 9 6.678 -4.129 -17.929 1.00 0.00 N ATOM 136 CA SER A 9 7.076 -4.470 -16.544 1.00 0.00 C ATOM 137 C SER A 9 5.993 -5.251 -15.751 1.00 0.00 C ATOM 138 O SER A 9 6.241 -5.622 -14.596 1.00 0.00 O ATOM 139 CB SER A 9 7.436 -3.163 -15.796 1.00 0.00 C ATOM 140 OG SER A 9 8.457 -2.450 -16.472 1.00 0.00 O ATOM 0 H SER A 9 6.533 -3.129 -18.068 1.00 0.00 H new ATOM 0 HA SER A 9 7.934 -5.139 -16.612 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.549 -2.536 -15.707 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.763 -3.399 -14.783 1.00 0.00 H new ATOM 0 HG SER A 9 8.681 -2.912 -17.307 1.00 0.00 H new ATOM 146 N HIS A 10 4.807 -5.492 -16.376 1.00 0.00 N ATOM 147 CA HIS A 10 3.655 -6.187 -15.738 1.00 0.00 C ATOM 148 C HIS A 10 3.113 -5.354 -14.559 1.00 0.00 C ATOM 149 O HIS A 10 2.596 -5.889 -13.570 1.00 0.00 O ATOM 150 CB HIS A 10 4.027 -7.642 -15.316 1.00 0.00 C ATOM 151 CG HIS A 10 4.303 -8.556 -16.477 1.00 0.00 C ATOM 152 ND1 HIS A 10 5.440 -8.469 -17.247 1.00 0.00 N ATOM 153 CD2 HIS A 10 3.578 -9.567 -17.007 1.00 0.00 C ATOM 154 CE1 HIS A 10 5.404 -9.383 -18.197 1.00 0.00 C ATOM 155 NE2 HIS A 10 4.284 -10.064 -18.074 1.00 0.00 N ATOM 0 H HIS A 10 4.624 -5.209 -17.339 1.00 0.00 H new ATOM 0 HA HIS A 10 2.855 -6.277 -16.473 1.00 0.00 H new ATOM 0 HB2 HIS A 10 4.906 -7.611 -14.673 1.00 0.00 H new ATOM 0 HB3 HIS A 10 3.213 -8.058 -14.723 1.00 0.00 H new ATOM 0 HD1 HIS A 10 6.196 -7.799 -17.105 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.619 -9.919 -16.655 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.163 -9.545 -18.948 1.00 0.00 H new ATOM 164 N MET A 11 3.204 -4.023 -14.733 1.00 0.00 N ATOM 165 CA MET A 11 2.798 -3.017 -13.737 1.00 0.00 C ATOM 166 C MET A 11 1.265 -2.806 -13.775 1.00 0.00 C ATOM 167 O MET A 11 0.753 -1.790 -14.262 1.00 0.00 O ATOM 168 CB MET A 11 3.593 -1.694 -13.982 1.00 0.00 C ATOM 169 CG MET A 11 3.518 -1.133 -15.413 1.00 0.00 C ATOM 170 SD MET A 11 4.506 0.368 -15.625 1.00 0.00 S ATOM 171 CE MET A 11 3.608 1.552 -14.618 1.00 0.00 C ATOM 0 H MET A 11 3.570 -3.608 -15.590 1.00 0.00 H new ATOM 0 HA MET A 11 3.039 -3.368 -12.734 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.223 -0.935 -13.293 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.640 -1.868 -13.733 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.862 -1.892 -16.115 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.479 -0.917 -15.661 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.583 2.516 -15.126 1.00 0.00 H new ATOM 0 HE2 MET A 11 2.589 1.198 -14.461 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.106 1.662 -13.655 1.00 0.00 H new ATOM 181 N SER A 12 0.534 -3.823 -13.292 1.00 0.00 N ATOM 182 CA SER A 12 -0.933 -3.824 -13.250 1.00 0.00 C ATOM 183 C SER A 12 -1.432 -2.924 -12.109 1.00 0.00 C ATOM 184 O SER A 12 -2.132 -1.932 -12.363 1.00 0.00 O ATOM 185 CB SER A 12 -1.455 -5.270 -13.102 1.00 0.00 C ATOM 186 OG SER A 12 -0.980 -6.084 -14.157 1.00 0.00 O ATOM 0 H SER A 12 0.951 -4.675 -12.917 1.00 0.00 H new ATOM 0 HA SER A 12 -1.322 -3.420 -14.185 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.133 -5.682 -12.145 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.545 -5.270 -13.099 1.00 0.00 H new ATOM 0 HG SER A 12 -1.320 -6.996 -14.045 1.00 0.00 H new ATOM 192 N TRP A 13 -1.071 -3.257 -10.845 1.00 0.00 N ATOM 193 CA TRP A 13 -1.420 -2.432 -9.664 1.00 0.00 C ATOM 194 C TRP A 13 -0.306 -1.422 -9.353 1.00 0.00 C ATOM 195 O TRP A 13 -0.403 -0.664 -8.388 1.00 0.00 O ATOM 196 CB TRP A 13 -1.720 -3.327 -8.420 1.00 0.00 C ATOM 197 CG TRP A 13 -0.712 -4.443 -8.153 1.00 0.00 C ATOM 198 CD1 TRP A 13 -0.872 -5.765 -8.465 1.00 0.00 C ATOM 199 CD2 TRP A 13 0.592 -4.350 -7.546 1.00 0.00 C ATOM 200 NE1 TRP A 13 0.212 -6.490 -8.066 1.00 0.00 N ATOM 201 CE2 TRP A 13 1.130 -5.652 -7.515 1.00 0.00 C ATOM 202 CE3 TRP A 13 1.357 -3.307 -7.023 1.00 0.00 C ATOM 203 CZ2 TRP A 13 2.390 -5.936 -6.999 1.00 0.00 C ATOM 204 CZ3 TRP A 13 2.609 -3.594 -6.508 1.00 0.00 C ATOM 205 CH2 TRP A 13 3.113 -4.895 -6.499 1.00 0.00 C ATOM 0 H TRP A 13 -0.536 -4.095 -10.618 1.00 0.00 H new ATOM 0 HA TRP A 13 -2.326 -1.876 -9.903 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.770 -2.688 -7.538 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.706 -3.774 -8.546 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.738 -6.178 -8.960 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.317 -7.500 -8.165 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.979 -2.295 -7.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 2.780 -6.943 -6.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.210 -2.793 -6.104 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.094 -5.080 -6.088 1.00 0.00 H new ATOM 216 N TYR A 14 0.730 -1.381 -10.203 1.00 0.00 N ATOM 217 CA TYR A 14 1.876 -0.486 -10.013 1.00 0.00 C ATOM 218 C TYR A 14 1.816 0.576 -11.104 1.00 0.00 C ATOM 219 O TYR A 14 1.659 0.248 -12.282 1.00 0.00 O ATOM 220 CB TYR A 14 3.235 -1.234 -10.049 1.00 0.00 C ATOM 221 CG TYR A 14 4.449 -0.278 -9.945 1.00 0.00 C ATOM 222 CD1 TYR A 14 4.730 0.408 -8.755 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.284 -0.023 -11.045 1.00 0.00 C ATOM 224 CE1 TYR A 14 5.784 1.304 -8.672 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.341 0.864 -10.961 1.00 0.00 C ATOM 226 CZ TYR A 14 6.587 1.526 -9.777 1.00 0.00 C ATOM 227 OH TYR A 14 7.629 2.427 -9.700 1.00 0.00 O ATOM 0 H TYR A 14 0.795 -1.965 -11.037 1.00 0.00 H new ATOM 0 HA TYR A 14 1.813 -0.035 -9.023 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.272 -1.951 -9.229 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.306 -1.805 -10.975 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.113 0.235 -7.886 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.096 -0.532 -11.979 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.978 1.828 -7.748 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.972 1.038 -11.820 1.00 0.00 H new ATOM 0 HH TYR A 14 8.094 2.464 -10.562 1.00 0.00 H new ATOM 237 N HIS A 15 1.876 1.848 -10.712 1.00 0.00 N ATOM 238 CA HIS A 15 1.921 2.972 -11.653 1.00 0.00 C ATOM 239 C HIS A 15 3.169 3.815 -11.386 1.00 0.00 C ATOM 240 O HIS A 15 3.605 3.945 -10.240 1.00 0.00 O ATOM 241 CB HIS A 15 0.629 3.819 -11.544 1.00 0.00 C ATOM 242 CG HIS A 15 -0.626 3.038 -11.840 1.00 0.00 C ATOM 243 ND1 HIS A 15 -1.191 2.966 -13.089 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.403 2.265 -11.041 1.00 0.00 C ATOM 245 CE1 HIS A 15 -2.250 2.185 -13.047 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.400 1.749 -11.821 1.00 0.00 N ATOM 0 H HIS A 15 1.895 2.131 -9.732 1.00 0.00 H new ATOM 0 HA HIS A 15 1.977 2.591 -12.673 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.560 4.236 -10.539 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.696 4.660 -12.234 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.261 2.090 -9.985 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.889 1.944 -13.884 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.141 1.125 -11.500 1.00 0.00 H new ATOM 255 N ARG A 16 3.753 4.341 -12.466 1.00 0.00 N ATOM 256 CA ARG A 16 4.909 5.244 -12.408 1.00 0.00 C ATOM 257 C ARG A 16 4.533 6.536 -11.673 1.00 0.00 C ATOM 258 O ARG A 16 5.019 6.795 -10.572 1.00 0.00 O ATOM 259 CB ARG A 16 5.400 5.559 -13.844 1.00 0.00 C ATOM 260 CG ARG A 16 6.152 4.411 -14.555 1.00 0.00 C ATOM 261 CD ARG A 16 6.341 4.678 -16.063 1.00 0.00 C ATOM 262 NE ARG A 16 6.762 6.073 -16.339 1.00 0.00 N ATOM 263 CZ ARG A 16 6.040 6.988 -17.026 1.00 0.00 C ATOM 264 NH1 ARG A 16 4.870 6.667 -17.571 1.00 0.00 N ATOM 265 NH2 ARG A 16 6.491 8.225 -17.151 1.00 0.00 N ATOM 0 H ARG A 16 3.434 4.151 -13.416 1.00 0.00 H new ATOM 0 HA ARG A 16 5.716 4.758 -11.859 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.539 5.837 -14.451 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.055 6.429 -13.803 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.127 4.275 -14.088 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.601 3.480 -14.420 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.087 3.990 -16.461 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.407 4.472 -16.586 1.00 0.00 H new ATOM 0 HE ARG A 16 7.671 6.367 -15.981 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.505 5.719 -17.474 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.338 7.368 -18.086 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.382 8.488 -16.730 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.948 8.916 -17.669 1.00 0.00 H new ATOM 279 N ASP A 17 3.604 7.294 -12.271 1.00 0.00 N ATOM 280 CA ASP A 17 3.166 8.585 -11.738 1.00 0.00 C ATOM 281 C ASP A 17 2.061 8.340 -10.686 1.00 0.00 C ATOM 282 O ASP A 17 2.393 7.922 -9.560 1.00 0.00 O ATOM 283 CB ASP A 17 2.764 9.552 -12.904 1.00 0.00 C ATOM 284 CG ASP A 17 1.827 8.929 -13.964 1.00 0.00 C ATOM 285 OD1 ASP A 17 2.301 8.104 -14.775 1.00 0.00 O ATOM 286 OD2 ASP A 17 0.615 9.252 -13.986 1.00 0.00 O ATOM 0 H ASP A 17 3.137 7.027 -13.138 1.00 0.00 H new ATOM 0 HA ASP A 17 3.978 9.097 -11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.277 10.430 -12.479 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.671 9.899 -13.399 1.00 0.00 H new ATOM 291 N LEU A 18 0.764 8.547 -11.051 1.00 0.00 N ATOM 292 CA LEU A 18 -0.407 8.322 -10.192 1.00 0.00 C ATOM 293 C LEU A 18 -0.398 9.288 -9.001 1.00 0.00 C ATOM 294 O LEU A 18 0.500 9.246 -8.173 1.00 0.00 O ATOM 295 CB LEU A 18 -0.519 6.842 -9.745 1.00 0.00 C ATOM 296 CG LEU A 18 -1.780 6.443 -8.914 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.100 6.771 -9.660 1.00 0.00 C ATOM 298 CD2 LEU A 18 -1.726 4.951 -8.511 1.00 0.00 C ATOM 0 H LEU A 18 0.511 8.885 -11.980 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.301 8.532 -10.780 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.490 6.216 -10.637 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.365 6.599 -9.156 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.769 7.045 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.949 6.476 -9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.150 7.842 -9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.130 6.226 -10.603 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.615 4.698 -7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.688 4.333 -9.408 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.837 4.769 -7.907 1.00 0.00 H new ATOM 310 N SER A 19 -1.367 10.207 -8.952 1.00 0.00 N ATOM 311 CA SER A 19 -1.594 11.047 -7.772 1.00 0.00 C ATOM 312 C SER A 19 -2.222 10.201 -6.656 1.00 0.00 C ATOM 313 O SER A 19 -2.947 9.251 -6.936 1.00 0.00 O ATOM 314 CB SER A 19 -2.518 12.230 -8.149 1.00 0.00 C ATOM 315 OG SER A 19 -2.761 13.104 -7.055 1.00 0.00 O ATOM 0 H SER A 19 -2.011 10.389 -9.722 1.00 0.00 H new ATOM 0 HA SER A 19 -0.646 11.448 -7.414 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.066 12.793 -8.966 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.468 11.842 -8.517 1.00 0.00 H new ATOM 0 HG SER A 19 -3.347 13.834 -7.344 1.00 0.00 H new ATOM 321 N ARG A 20 -1.903 10.540 -5.402 1.00 0.00 N ATOM 322 CA ARG A 20 -2.490 9.914 -4.199 1.00 0.00 C ATOM 323 C ARG A 20 -4.004 10.199 -4.137 1.00 0.00 C ATOM 324 O ARG A 20 -4.793 9.339 -3.744 1.00 0.00 O ATOM 325 CB ARG A 20 -1.773 10.467 -2.939 1.00 0.00 C ATOM 326 CG ARG A 20 -2.338 9.983 -1.578 1.00 0.00 C ATOM 327 CD ARG A 20 -1.631 10.649 -0.388 1.00 0.00 C ATOM 328 NE ARG A 20 -2.231 10.294 0.907 1.00 0.00 N ATOM 329 CZ ARG A 20 -2.175 11.042 2.017 1.00 0.00 C ATOM 330 NH1 ARG A 20 -1.550 12.217 2.027 1.00 0.00 N ATOM 331 NH2 ARG A 20 -2.751 10.600 3.114 1.00 0.00 N ATOM 0 H ARG A 20 -1.221 11.267 -5.185 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.353 8.834 -4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.720 10.192 -2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.820 11.556 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.405 10.199 -1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.228 8.901 -1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.580 10.359 -0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.663 11.731 -0.513 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.730 9.406 0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.102 12.564 1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.519 12.771 2.883 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.231 9.700 3.111 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.718 11.157 3.968 1.00 0.00 H new ATOM 345 N ALA A 21 -4.372 11.431 -4.541 1.00 0.00 N ATOM 346 CA ALA A 21 -5.775 11.857 -4.683 1.00 0.00 C ATOM 347 C ALA A 21 -6.524 10.946 -5.676 1.00 0.00 C ATOM 348 O ALA A 21 -7.641 10.482 -5.404 1.00 0.00 O ATOM 349 CB ALA A 21 -5.824 13.320 -5.145 1.00 0.00 C ATOM 0 H ALA A 21 -3.700 12.160 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.270 11.774 -3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.863 13.634 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.327 13.951 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.318 13.415 -6.105 1.00 0.00 H new ATOM 355 N ALA A 22 -5.867 10.678 -6.811 1.00 0.00 N ATOM 356 CA ALA A 22 -6.409 9.827 -7.883 1.00 0.00 C ATOM 357 C ALA A 22 -6.405 8.343 -7.484 1.00 0.00 C ATOM 358 O ALA A 22 -7.281 7.596 -7.887 1.00 0.00 O ATOM 359 CB ALA A 22 -5.600 10.022 -9.168 1.00 0.00 C ATOM 0 H ALA A 22 -4.938 11.047 -7.015 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.443 10.126 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.009 9.388 -9.955 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.655 11.066 -9.478 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.560 9.751 -8.988 1.00 0.00 H new ATOM 365 N ALA A 23 -5.399 7.937 -6.699 1.00 0.00 N ATOM 366 CA ALA A 23 -5.211 6.536 -6.263 1.00 0.00 C ATOM 367 C ALA A 23 -6.346 6.116 -5.324 1.00 0.00 C ATOM 368 O ALA A 23 -6.998 5.086 -5.528 1.00 0.00 O ATOM 369 CB ALA A 23 -3.852 6.385 -5.562 1.00 0.00 C ATOM 0 H ALA A 23 -4.684 8.572 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.230 5.887 -7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.720 5.351 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.054 6.657 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.817 7.040 -4.692 1.00 0.00 H new ATOM 375 N GLU A 24 -6.551 6.952 -4.297 1.00 0.00 N ATOM 376 CA GLU A 24 -7.653 6.844 -3.327 1.00 0.00 C ATOM 377 C GLU A 24 -9.021 6.794 -4.036 1.00 0.00 C ATOM 378 O GLU A 24 -9.875 5.980 -3.690 1.00 0.00 O ATOM 379 CB GLU A 24 -7.578 8.054 -2.356 1.00 0.00 C ATOM 380 CG GLU A 24 -8.767 8.199 -1.385 1.00 0.00 C ATOM 381 CD GLU A 24 -8.598 9.364 -0.400 1.00 0.00 C ATOM 382 OE1 GLU A 24 -8.917 10.523 -0.759 1.00 0.00 O ATOM 383 OE2 GLU A 24 -8.138 9.140 0.734 1.00 0.00 O ATOM 0 H GLU A 24 -5.938 7.746 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.550 5.914 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.662 7.973 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.500 8.967 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.682 8.346 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.887 7.272 -0.825 1.00 0.00 H new ATOM 390 N GLU A 25 -9.184 7.667 -5.043 1.00 0.00 N ATOM 391 CA GLU A 25 -10.433 7.785 -5.809 1.00 0.00 C ATOM 392 C GLU A 25 -10.710 6.489 -6.615 1.00 0.00 C ATOM 393 O GLU A 25 -11.802 5.930 -6.533 1.00 0.00 O ATOM 394 CB GLU A 25 -10.375 9.018 -6.743 1.00 0.00 C ATOM 395 CG GLU A 25 -11.660 9.267 -7.552 1.00 0.00 C ATOM 396 CD GLU A 25 -11.646 10.600 -8.317 1.00 0.00 C ATOM 397 OE1 GLU A 25 -11.117 10.658 -9.448 1.00 0.00 O ATOM 398 OE2 GLU A 25 -12.174 11.607 -7.798 1.00 0.00 O ATOM 0 H GLU A 25 -8.453 8.310 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.257 7.924 -5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.161 9.903 -6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.543 8.894 -7.436 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.799 8.451 -8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.515 9.252 -6.877 1.00 0.00 H new ATOM 405 N LEU A 26 -9.691 6.026 -7.368 1.00 0.00 N ATOM 406 CA LEU A 26 -9.784 4.820 -8.226 1.00 0.00 C ATOM 407 C LEU A 26 -10.074 3.543 -7.411 1.00 0.00 C ATOM 408 O LEU A 26 -10.798 2.663 -7.882 1.00 0.00 O ATOM 409 CB LEU A 26 -8.491 4.655 -9.076 1.00 0.00 C ATOM 410 CG LEU A 26 -8.286 5.693 -10.225 1.00 0.00 C ATOM 411 CD1 LEU A 26 -6.928 5.487 -10.928 1.00 0.00 C ATOM 412 CD2 LEU A 26 -9.460 5.649 -11.230 1.00 0.00 C ATOM 0 H LEU A 26 -8.777 6.477 -7.400 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.630 4.965 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.632 4.709 -8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.493 3.656 -9.512 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.273 6.688 -9.780 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.814 6.224 -11.723 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.122 5.606 -10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.887 4.485 -11.354 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.291 6.382 -12.019 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.527 4.653 -11.668 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.391 5.881 -10.713 1.00 0.00 H new ATOM 424 N LEU A 27 -9.532 3.472 -6.181 1.00 0.00 N ATOM 425 CA LEU A 27 -9.809 2.357 -5.261 1.00 0.00 C ATOM 426 C LEU A 27 -11.258 2.457 -4.766 1.00 0.00 C ATOM 427 O LEU A 27 -12.060 1.554 -5.002 1.00 0.00 O ATOM 428 CB LEU A 27 -8.826 2.346 -4.050 1.00 0.00 C ATOM 429 CG LEU A 27 -7.330 2.051 -4.373 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.454 2.157 -3.105 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.154 0.682 -5.072 1.00 0.00 C ATOM 0 H LEU A 27 -8.899 4.176 -5.802 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.665 1.423 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.884 3.315 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.174 1.601 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.991 2.814 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.416 1.946 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.529 3.164 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.798 1.436 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.098 0.513 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.526 -0.109 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.714 0.676 -6.007 1.00 0.00 H new ATOM 443 N ALA A 28 -11.579 3.593 -4.117 1.00 0.00 N ATOM 444 CA ALA A 28 -12.871 3.822 -3.418 1.00 0.00 C ATOM 445 C ALA A 28 -14.090 3.719 -4.357 1.00 0.00 C ATOM 446 O ALA A 28 -15.186 3.346 -3.921 1.00 0.00 O ATOM 447 CB ALA A 28 -12.834 5.178 -2.696 1.00 0.00 C ATOM 0 H ALA A 28 -10.945 4.390 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.995 3.025 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.782 5.344 -2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.023 5.180 -1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.670 5.973 -3.423 1.00 0.00 H new ATOM 453 N ARG A 29 -13.879 4.045 -5.644 1.00 0.00 N ATOM 454 CA ARG A 29 -14.916 3.950 -6.685 1.00 0.00 C ATOM 455 C ARG A 29 -15.102 2.487 -7.146 1.00 0.00 C ATOM 456 O ARG A 29 -16.234 2.017 -7.283 1.00 0.00 O ATOM 457 CB ARG A 29 -14.549 4.844 -7.900 1.00 0.00 C ATOM 458 CG ARG A 29 -15.551 4.747 -9.071 1.00 0.00 C ATOM 459 CD ARG A 29 -15.132 5.554 -10.306 1.00 0.00 C ATOM 460 NE ARG A 29 -16.041 5.309 -11.448 1.00 0.00 N ATOM 461 CZ ARG A 29 -16.297 6.170 -12.440 1.00 0.00 C ATOM 462 NH1 ARG A 29 -15.749 7.380 -12.450 1.00 0.00 N ATOM 463 NH2 ARG A 29 -17.110 5.811 -13.423 1.00 0.00 N ATOM 0 H ARG A 29 -12.982 4.383 -5.992 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.855 4.301 -6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.489 5.881 -7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.558 4.565 -8.258 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.667 3.701 -9.353 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.527 5.096 -8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.129 6.617 -10.064 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.113 5.288 -10.587 1.00 0.00 H new ATOM 0 HE ARG A 29 -16.513 4.406 -11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.124 7.663 -11.695 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.953 8.026 -13.213 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.536 4.884 -13.420 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.310 6.462 -14.183 1.00 0.00 H new ATOM 477 N ALA A 30 -13.985 1.787 -7.376 1.00 0.00 N ATOM 478 CA ALA A 30 -13.991 0.456 -8.014 1.00 0.00 C ATOM 479 C ALA A 30 -14.364 -0.657 -7.036 1.00 0.00 C ATOM 480 O ALA A 30 -15.345 -1.389 -7.233 1.00 0.00 O ATOM 481 CB ALA A 30 -12.610 0.152 -8.602 1.00 0.00 C ATOM 0 H ALA A 30 -13.054 2.121 -7.128 1.00 0.00 H new ATOM 0 HA ALA A 30 -14.746 0.485 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.623 -0.832 -9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.358 0.906 -9.348 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.865 0.165 -7.807 1.00 0.00 H new ATOM 487 N GLY A 31 -13.556 -0.766 -5.983 1.00 0.00 N ATOM 488 CA GLY A 31 -13.549 -1.921 -5.108 1.00 0.00 C ATOM 489 C GLY A 31 -13.993 -1.618 -3.692 1.00 0.00 C ATOM 490 O GLY A 31 -14.533 -0.546 -3.392 1.00 0.00 O ATOM 0 H GLY A 31 -12.885 -0.045 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.202 -2.687 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.543 -2.339 -5.082 1.00 0.00 H new ATOM 494 N ARG A 32 -13.781 -2.617 -2.839 1.00 0.00 N ATOM 495 CA ARG A 32 -14.098 -2.584 -1.385 1.00 0.00 C ATOM 496 C ARG A 32 -12.805 -2.788 -0.565 1.00 0.00 C ATOM 497 O ARG A 32 -11.709 -2.520 -1.057 1.00 0.00 O ATOM 498 CB ARG A 32 -15.202 -3.651 -1.021 1.00 0.00 C ATOM 499 CG ARG A 32 -16.663 -3.153 -1.158 1.00 0.00 C ATOM 500 CD ARG A 32 -17.105 -2.920 -2.609 1.00 0.00 C ATOM 501 NE ARG A 32 -18.336 -2.120 -2.691 1.00 0.00 N ATOM 502 CZ ARG A 32 -18.936 -1.749 -3.822 1.00 0.00 C ATOM 503 NH1 ARG A 32 -18.515 -2.202 -5.002 1.00 0.00 N ATOM 504 NH2 ARG A 32 -19.972 -0.926 -3.770 1.00 0.00 N ATOM 0 H ARG A 32 -13.373 -3.504 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.510 -1.607 -1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.069 -4.522 -1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.042 -3.983 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.330 -3.882 -0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.774 -2.223 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.308 -2.414 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.265 -3.881 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.765 -1.826 -1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.723 -2.842 -5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.985 -1.908 -5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -20.305 -0.581 -2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.437 -0.637 -4.630 1.00 0.00 H new ATOM 518 N ASP A 33 -12.944 -3.242 0.693 1.00 0.00 N ATOM 519 CA ASP A 33 -11.822 -3.429 1.629 1.00 0.00 C ATOM 520 C ASP A 33 -10.743 -4.379 1.061 1.00 0.00 C ATOM 521 O ASP A 33 -11.054 -5.441 0.502 1.00 0.00 O ATOM 522 CB ASP A 33 -12.351 -3.930 2.995 1.00 0.00 C ATOM 523 CG ASP A 33 -13.127 -5.251 2.906 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.285 -5.229 2.437 1.00 0.00 O ATOM 525 OD2 ASP A 33 -12.588 -6.310 3.285 1.00 0.00 O ATOM 0 H ASP A 33 -13.849 -3.492 1.092 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.339 -2.462 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.510 -4.058 3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.998 -3.167 3.427 1.00 0.00 H new ATOM 530 N GLY A 34 -9.479 -3.945 1.175 1.00 0.00 N ATOM 531 CA GLY A 34 -8.328 -4.699 0.697 1.00 0.00 C ATOM 532 C GLY A 34 -7.895 -4.295 -0.708 1.00 0.00 C ATOM 533 O GLY A 34 -6.931 -4.863 -1.235 1.00 0.00 O ATOM 0 H GLY A 34 -9.233 -3.054 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.494 -4.554 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.567 -5.762 0.706 1.00 0.00 H new ATOM 537 N SER A 35 -8.595 -3.308 -1.327 1.00 0.00 N ATOM 538 CA SER A 35 -8.209 -2.802 -2.658 1.00 0.00 C ATOM 539 C SER A 35 -6.924 -1.982 -2.523 1.00 0.00 C ATOM 540 O SER A 35 -6.914 -0.953 -1.847 1.00 0.00 O ATOM 541 CB SER A 35 -9.320 -1.940 -3.298 1.00 0.00 C ATOM 542 OG SER A 35 -10.520 -2.679 -3.479 1.00 0.00 O ATOM 0 H SER A 35 -9.417 -2.856 -0.927 1.00 0.00 H new ATOM 0 HA SER A 35 -8.048 -3.657 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.518 -1.074 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.977 -1.561 -4.261 1.00 0.00 H new ATOM 0 HG SER A 35 -10.960 -2.806 -2.613 1.00 0.00 H new ATOM 548 N PHE A 36 -5.842 -2.440 -3.160 1.00 0.00 N ATOM 549 CA PHE A 36 -4.520 -1.840 -2.990 1.00 0.00 C ATOM 550 C PHE A 36 -3.850 -1.565 -4.333 1.00 0.00 C ATOM 551 O PHE A 36 -4.195 -2.171 -5.364 1.00 0.00 O ATOM 552 CB PHE A 36 -3.615 -2.750 -2.114 1.00 0.00 C ATOM 553 CG PHE A 36 -3.142 -4.043 -2.797 1.00 0.00 C ATOM 554 CD1 PHE A 36 -3.999 -5.138 -2.941 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.836 -4.160 -3.292 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.569 -6.294 -3.559 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.412 -5.320 -3.907 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.278 -6.386 -4.040 1.00 0.00 C ATOM 0 H PHE A 36 -5.859 -3.232 -3.803 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.657 -0.885 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.740 -2.178 -1.806 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.159 -3.014 -1.207 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.009 -5.078 -2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.152 -3.330 -3.191 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.244 -7.130 -3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.403 -5.394 -4.284 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.945 -7.294 -4.521 1.00 0.00 H new ATOM 568 N LEU A 37 -2.905 -0.625 -4.288 1.00 0.00 N ATOM 569 CA LEU A 37 -1.980 -0.338 -5.385 1.00 0.00 C ATOM 570 C LEU A 37 -0.655 0.204 -4.818 1.00 0.00 C ATOM 571 O LEU A 37 -0.584 0.601 -3.643 1.00 0.00 O ATOM 572 CB LEU A 37 -2.648 0.643 -6.411 1.00 0.00 C ATOM 573 CG LEU A 37 -3.323 1.949 -5.851 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.293 3.000 -5.382 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.306 2.560 -6.881 1.00 0.00 C ATOM 0 H LEU A 37 -2.758 -0.030 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.749 -1.254 -5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.886 0.943 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.405 0.085 -6.962 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.890 1.648 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.816 3.879 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.677 2.577 -4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.658 3.287 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.756 3.461 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.766 2.813 -7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.088 1.837 -7.111 1.00 0.00 H new ATOM 587 N VAL A 38 0.387 0.199 -5.655 1.00 0.00 N ATOM 588 CA VAL A 38 1.681 0.829 -5.366 1.00 0.00 C ATOM 589 C VAL A 38 2.011 1.790 -6.523 1.00 0.00 C ATOM 590 O VAL A 38 1.582 1.588 -7.660 1.00 0.00 O ATOM 591 CB VAL A 38 2.828 -0.237 -5.138 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.230 0.414 -4.953 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.498 -1.139 -3.922 1.00 0.00 C ATOM 0 H VAL A 38 0.355 -0.251 -6.570 1.00 0.00 H new ATOM 0 HA VAL A 38 1.614 1.386 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 38 2.872 -0.844 -6.042 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.976 -0.366 -4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.484 0.990 -5.843 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.213 1.074 -4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.298 -1.866 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.404 -0.524 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.559 -1.663 -4.102 1.00 0.00 H new ATOM 603 N ARG A 39 2.728 2.855 -6.196 1.00 0.00 N ATOM 604 CA ARG A 39 3.073 3.946 -7.116 1.00 0.00 C ATOM 605 C ARG A 39 4.377 4.594 -6.643 1.00 0.00 C ATOM 606 O ARG A 39 4.832 4.306 -5.535 1.00 0.00 O ATOM 607 CB ARG A 39 1.918 4.993 -7.140 1.00 0.00 C ATOM 608 CG ARG A 39 1.373 5.327 -5.725 1.00 0.00 C ATOM 609 CD ARG A 39 0.462 6.551 -5.695 1.00 0.00 C ATOM 610 NE ARG A 39 1.210 7.736 -6.124 1.00 0.00 N ATOM 611 CZ ARG A 39 1.603 8.741 -5.339 1.00 0.00 C ATOM 612 NH1 ARG A 39 1.349 8.725 -4.035 1.00 0.00 N ATOM 613 NH2 ARG A 39 2.263 9.756 -5.878 1.00 0.00 N ATOM 0 H ARG A 39 3.100 2.995 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 39 3.209 3.560 -8.126 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.275 5.909 -7.611 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.103 4.613 -7.757 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.824 4.466 -5.344 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.213 5.493 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.395 6.394 -6.350 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.071 6.701 -4.688 1.00 0.00 H new ATOM 0 HE ARG A 39 1.452 7.798 -7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.848 7.938 -3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.655 9.500 -3.446 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.463 9.761 -6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.571 10.533 -5.293 1.00 0.00 H new ATOM 627 N ASP A 40 4.983 5.464 -7.470 1.00 0.00 N ATOM 628 CA ASP A 40 6.151 6.260 -7.037 1.00 0.00 C ATOM 629 C ASP A 40 5.633 7.617 -6.508 1.00 0.00 C ATOM 630 O ASP A 40 4.948 8.350 -7.235 1.00 0.00 O ATOM 631 CB ASP A 40 7.211 6.430 -8.163 1.00 0.00 C ATOM 632 CG ASP A 40 8.570 6.939 -7.616 1.00 0.00 C ATOM 633 OD1 ASP A 40 9.355 6.118 -7.086 1.00 0.00 O ATOM 634 OD2 ASP A 40 8.856 8.155 -7.696 1.00 0.00 O ATOM 0 H ASP A 40 4.690 5.635 -8.432 1.00 0.00 H new ATOM 0 HA ASP A 40 6.675 5.731 -6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.359 5.475 -8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.836 7.130 -8.910 1.00 0.00 H new ATOM 639 N SER A 41 5.936 7.910 -5.229 1.00 0.00 N ATOM 640 CA SER A 41 5.363 9.037 -4.488 1.00 0.00 C ATOM 641 C SER A 41 5.877 10.387 -5.035 1.00 0.00 C ATOM 642 O SER A 41 7.010 10.775 -4.780 1.00 0.00 O ATOM 643 CB SER A 41 5.719 8.877 -2.988 1.00 0.00 C ATOM 644 OG SER A 41 5.309 7.610 -2.493 1.00 0.00 O ATOM 0 H SER A 41 6.595 7.360 -4.679 1.00 0.00 H new ATOM 0 HA SER A 41 4.280 9.035 -4.611 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.794 8.992 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.239 9.668 -2.412 1.00 0.00 H new ATOM 0 HG SER A 41 6.056 7.185 -2.023 1.00 0.00 H new ATOM 650 N GLU A 42 5.022 11.035 -5.841 1.00 0.00 N ATOM 651 CA GLU A 42 5.217 12.409 -6.379 1.00 0.00 C ATOM 652 C GLU A 42 5.596 13.466 -5.309 1.00 0.00 C ATOM 653 O GLU A 42 6.306 14.424 -5.613 1.00 0.00 O ATOM 654 CB GLU A 42 3.930 12.844 -7.128 1.00 0.00 C ATOM 655 CG GLU A 42 3.482 11.898 -8.266 1.00 0.00 C ATOM 656 CD GLU A 42 4.535 11.752 -9.372 1.00 0.00 C ATOM 657 OE1 GLU A 42 4.584 12.620 -10.278 1.00 0.00 O ATOM 658 OE2 GLU A 42 5.328 10.797 -9.338 1.00 0.00 O ATOM 0 H GLU A 42 4.147 10.613 -6.151 1.00 0.00 H new ATOM 0 HA GLU A 42 6.070 12.363 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.118 12.928 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.089 13.838 -7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.262 10.915 -7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.556 12.274 -8.701 1.00 0.00 H new ATOM 665 N SER A 43 5.108 13.294 -4.076 1.00 0.00 N ATOM 666 CA SER A 43 5.362 14.241 -2.973 1.00 0.00 C ATOM 667 C SER A 43 6.759 14.047 -2.345 1.00 0.00 C ATOM 668 O SER A 43 7.248 14.926 -1.628 1.00 0.00 O ATOM 669 CB SER A 43 4.267 14.072 -1.913 1.00 0.00 C ATOM 670 OG SER A 43 4.213 12.732 -1.459 1.00 0.00 O ATOM 0 H SER A 43 4.527 12.499 -3.810 1.00 0.00 H new ATOM 0 HA SER A 43 5.341 15.253 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.461 14.738 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.302 14.359 -2.331 1.00 0.00 H new ATOM 0 HG SER A 43 3.510 12.644 -0.782 1.00 0.00 H new ATOM 676 N VAL A 44 7.379 12.883 -2.600 1.00 0.00 N ATOM 677 CA VAL A 44 8.706 12.543 -2.053 1.00 0.00 C ATOM 678 C VAL A 44 9.758 12.570 -3.184 1.00 0.00 C ATOM 679 O VAL A 44 10.685 13.392 -3.152 1.00 0.00 O ATOM 680 CB VAL A 44 8.693 11.130 -1.352 1.00 0.00 C ATOM 681 CG1 VAL A 44 10.087 10.768 -0.775 1.00 0.00 C ATOM 682 CG2 VAL A 44 7.589 11.036 -0.259 1.00 0.00 C ATOM 0 H VAL A 44 6.978 12.153 -3.188 1.00 0.00 H new ATOM 0 HA VAL A 44 8.966 13.285 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 44 8.452 10.395 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.041 9.788 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.820 10.746 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.381 11.515 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.614 10.047 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.767 11.794 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.612 11.201 -0.714 1.00 0.00 H new ATOM 692 N ALA A 45 9.564 11.628 -4.139 1.00 0.00 N ATOM 693 CA ALA A 45 10.409 11.344 -5.319 1.00 0.00 C ATOM 694 C ALA A 45 11.377 10.193 -4.994 1.00 0.00 C ATOM 695 O ALA A 45 12.153 10.281 -4.042 1.00 0.00 O ATOM 696 CB ALA A 45 11.139 12.560 -5.917 1.00 0.00 C ATOM 0 H ALA A 45 8.757 11.005 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 45 9.727 11.044 -6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.730 12.243 -6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.408 13.304 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.797 12.995 -5.165 1.00 0.00 H new ATOM 702 N GLY A 46 11.281 9.128 -5.808 1.00 0.00 N ATOM 703 CA GLY A 46 12.017 7.874 -5.584 1.00 0.00 C ATOM 704 C GLY A 46 11.593 7.196 -4.279 1.00 0.00 C ATOM 705 O GLY A 46 12.405 6.978 -3.373 1.00 0.00 O ATOM 0 H GLY A 46 10.691 9.113 -6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.844 7.196 -6.420 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.087 8.080 -5.557 1.00 0.00 H new ATOM 709 N ALA A 47 10.297 6.907 -4.206 1.00 0.00 N ATOM 710 CA ALA A 47 9.628 6.356 -3.006 1.00 0.00 C ATOM 711 C ALA A 47 8.414 5.562 -3.463 1.00 0.00 C ATOM 712 O ALA A 47 7.842 5.900 -4.482 1.00 0.00 O ATOM 713 CB ALA A 47 9.215 7.466 -2.030 1.00 0.00 C ATOM 0 H ALA A 47 9.659 7.048 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 47 10.322 5.709 -2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.727 7.024 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.100 8.016 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.524 8.148 -2.526 1.00 0.00 H new ATOM 719 N PHE A 48 7.998 4.523 -2.734 1.00 0.00 N ATOM 720 CA PHE A 48 6.831 3.702 -3.118 1.00 0.00 C ATOM 721 C PHE A 48 5.680 3.863 -2.113 1.00 0.00 C ATOM 722 O PHE A 48 5.847 3.603 -0.932 1.00 0.00 O ATOM 723 CB PHE A 48 7.247 2.220 -3.252 1.00 0.00 C ATOM 724 CG PHE A 48 8.349 2.006 -4.296 1.00 0.00 C ATOM 725 CD1 PHE A 48 8.047 1.952 -5.659 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.687 1.877 -3.916 1.00 0.00 C ATOM 727 CE1 PHE A 48 9.046 1.767 -6.599 1.00 0.00 C ATOM 728 CE2 PHE A 48 10.679 1.693 -4.859 1.00 0.00 C ATOM 729 CZ PHE A 48 10.359 1.638 -6.199 1.00 0.00 C ATOM 0 H PHE A 48 8.450 4.224 -1.870 1.00 0.00 H new ATOM 0 HA PHE A 48 6.469 4.051 -4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.593 1.855 -2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.375 1.625 -3.523 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.022 2.056 -5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.950 1.922 -2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.796 1.724 -7.649 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.708 1.592 -4.546 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.136 1.494 -6.935 1.00 0.00 H new ATOM 739 N ALA A 49 4.495 4.236 -2.621 1.00 0.00 N ATOM 740 CA ALA A 49 3.302 4.491 -1.798 1.00 0.00 C ATOM 741 C ALA A 49 2.334 3.315 -1.932 1.00 0.00 C ATOM 742 O ALA A 49 1.957 2.954 -3.046 1.00 0.00 O ATOM 743 CB ALA A 49 2.627 5.808 -2.208 1.00 0.00 C ATOM 0 H ALA A 49 4.337 4.370 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 49 3.601 4.588 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.748 5.975 -1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.327 6.633 -2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.326 5.752 -3.254 1.00 0.00 H new ATOM 749 N LEU A 50 1.912 2.754 -0.791 1.00 0.00 N ATOM 750 CA LEU A 50 1.016 1.595 -0.727 1.00 0.00 C ATOM 751 C LEU A 50 -0.324 2.093 -0.168 1.00 0.00 C ATOM 752 O LEU A 50 -0.423 2.441 1.015 1.00 0.00 O ATOM 753 CB LEU A 50 1.624 0.468 0.163 1.00 0.00 C ATOM 754 CG LEU A 50 0.711 -0.784 0.422 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.276 -1.479 -0.894 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.400 -1.785 1.381 1.00 0.00 C ATOM 0 H LEU A 50 2.189 3.100 0.128 1.00 0.00 H new ATOM 0 HA LEU A 50 0.874 1.160 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.549 0.127 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.893 0.901 1.127 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.198 -0.421 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.353 -2.338 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.284 -0.775 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.159 -1.813 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.746 -2.642 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.339 -2.122 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.601 -1.296 2.334 1.00 0.00 H new ATOM 768 N CYS A 51 -1.323 2.193 -1.052 1.00 0.00 N ATOM 769 CA CYS A 51 -2.652 2.714 -0.722 1.00 0.00 C ATOM 770 C CYS A 51 -3.612 1.529 -0.538 1.00 0.00 C ATOM 771 O CYS A 51 -3.772 0.734 -1.458 1.00 0.00 O ATOM 772 CB CYS A 51 -3.122 3.645 -1.864 1.00 0.00 C ATOM 773 SG CYS A 51 -1.896 4.894 -2.333 1.00 0.00 S ATOM 0 H CYS A 51 -1.229 1.911 -2.028 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.628 3.290 0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.365 3.040 -2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.040 4.146 -1.558 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.370 5.628 -3.296 1.00 0.00 H new ATOM 779 N VAL A 52 -4.228 1.419 0.657 1.00 0.00 N ATOM 780 CA VAL A 52 -5.091 0.282 1.048 1.00 0.00 C ATOM 781 C VAL A 52 -6.488 0.808 1.428 1.00 0.00 C ATOM 782 O VAL A 52 -6.638 1.540 2.410 1.00 0.00 O ATOM 783 CB VAL A 52 -4.464 -0.521 2.260 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.404 -1.657 2.758 1.00 0.00 C ATOM 785 CG2 VAL A 52 -3.059 -1.072 1.892 1.00 0.00 C ATOM 0 H VAL A 52 -4.140 2.125 1.388 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.173 -0.400 0.202 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.348 0.179 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.933 -2.181 3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.350 -1.228 3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.588 -2.359 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.649 -1.620 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.143 -1.741 1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.397 -0.243 1.642 1.00 0.00 H new ATOM 795 N LEU A 53 -7.502 0.401 0.665 1.00 0.00 N ATOM 796 CA LEU A 53 -8.879 0.898 0.788 1.00 0.00 C ATOM 797 C LEU A 53 -9.654 0.126 1.856 1.00 0.00 C ATOM 798 O LEU A 53 -9.589 -1.093 1.902 1.00 0.00 O ATOM 799 CB LEU A 53 -9.596 0.732 -0.576 1.00 0.00 C ATOM 800 CG LEU A 53 -11.144 0.955 -0.576 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.511 2.398 -0.210 1.00 0.00 C ATOM 802 CD2 LEU A 53 -11.764 0.545 -1.914 1.00 0.00 C ATOM 0 H LEU A 53 -7.391 -0.297 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.843 1.947 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.150 1.430 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.395 -0.272 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.564 0.310 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.595 2.512 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.132 2.628 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.067 3.081 -0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.841 0.712 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.328 1.142 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.566 -0.511 -2.099 1.00 0.00 H new ATOM 814 N TYR A 54 -10.390 0.861 2.702 1.00 0.00 N ATOM 815 CA TYR A 54 -11.401 0.292 3.602 1.00 0.00 C ATOM 816 C TYR A 54 -12.606 1.246 3.673 1.00 0.00 C ATOM 817 O TYR A 54 -12.525 2.288 4.334 1.00 0.00 O ATOM 818 CB TYR A 54 -10.782 0.074 5.005 1.00 0.00 C ATOM 819 CG TYR A 54 -11.722 -0.568 6.041 1.00 0.00 C ATOM 820 CD1 TYR A 54 -12.114 -1.892 5.918 1.00 0.00 C ATOM 821 CD2 TYR A 54 -12.198 0.146 7.146 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.953 -2.479 6.837 1.00 0.00 C ATOM 823 CE2 TYR A 54 -13.038 -0.441 8.072 1.00 0.00 C ATOM 824 CZ TYR A 54 -13.408 -1.757 7.916 1.00 0.00 C ATOM 825 OH TYR A 54 -14.243 -2.355 8.838 1.00 0.00 O ATOM 0 H TYR A 54 -10.299 1.874 2.781 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.740 -0.673 3.225 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.898 -0.555 4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.445 1.037 5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.753 -2.475 5.083 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.903 1.177 7.278 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.255 -3.508 6.711 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -13.402 0.130 8.914 1.00 0.00 H new ATOM 0 HH TYR A 54 -14.472 -1.709 9.539 1.00 0.00 H new ATOM 835 N GLN A 55 -13.702 0.902 2.949 1.00 0.00 N ATOM 836 CA GLN A 55 -15.003 1.614 3.014 1.00 0.00 C ATOM 837 C GLN A 55 -14.843 3.116 2.665 1.00 0.00 C ATOM 838 O GLN A 55 -15.199 3.995 3.458 1.00 0.00 O ATOM 839 CB GLN A 55 -15.672 1.416 4.407 1.00 0.00 C ATOM 840 CG GLN A 55 -15.987 -0.055 4.775 1.00 0.00 C ATOM 841 CD GLN A 55 -16.616 -0.238 6.158 1.00 0.00 C ATOM 842 OE1 GLN A 55 -17.307 0.644 6.673 1.00 0.00 O ATOM 843 NE2 GLN A 55 -16.392 -1.391 6.765 1.00 0.00 N ATOM 0 H GLN A 55 -13.707 0.116 2.299 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.663 1.179 2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -15.017 1.834 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -16.599 1.989 4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -16.661 -0.468 4.025 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.065 -0.634 4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.816 -2.102 6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.795 -1.570 7.685 1.00 0.00 H new ATOM 852 N LYS A 56 -14.240 3.362 1.478 1.00 0.00 N ATOM 853 CA LYS A 56 -13.909 4.713 0.932 1.00 0.00 C ATOM 854 C LYS A 56 -12.668 5.356 1.639 1.00 0.00 C ATOM 855 O LYS A 56 -11.965 6.178 1.035 1.00 0.00 O ATOM 856 CB LYS A 56 -15.179 5.642 0.908 1.00 0.00 C ATOM 857 CG LYS A 56 -15.038 7.020 0.199 1.00 0.00 C ATOM 858 CD LYS A 56 -14.538 8.151 1.137 1.00 0.00 C ATOM 859 CE LYS A 56 -14.376 9.498 0.423 1.00 0.00 C ATOM 860 NZ LYS A 56 -13.896 10.563 1.339 1.00 0.00 N ATOM 0 H LYS A 56 -13.959 2.608 0.850 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.603 4.588 -0.107 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.989 5.095 0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.486 5.822 1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.346 6.920 -0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.004 7.305 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.240 8.267 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.581 7.859 1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.673 9.387 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.331 9.796 -0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.801 11.456 0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.578 10.688 2.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.972 10.292 1.732 1.00 0.00 H new ATOM 874 N HIS A 57 -12.362 4.918 2.878 1.00 0.00 N ATOM 875 CA HIS A 57 -11.235 5.461 3.660 1.00 0.00 C ATOM 876 C HIS A 57 -9.967 4.655 3.325 1.00 0.00 C ATOM 877 O HIS A 57 -9.750 3.540 3.820 1.00 0.00 O ATOM 878 CB HIS A 57 -11.540 5.374 5.190 1.00 0.00 C ATOM 879 CG HIS A 57 -12.788 6.103 5.630 1.00 0.00 C ATOM 880 ND1 HIS A 57 -14.045 5.565 5.512 1.00 0.00 N ATOM 881 CD2 HIS A 57 -12.962 7.328 6.184 1.00 0.00 C ATOM 882 CE1 HIS A 57 -14.939 6.418 5.968 1.00 0.00 C ATOM 883 NE2 HIS A 57 -14.310 7.497 6.383 1.00 0.00 N ATOM 0 H HIS A 57 -12.884 4.186 3.359 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.085 6.510 3.404 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -11.632 4.324 5.469 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.689 5.776 5.739 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -14.255 4.643 5.129 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -12.185 8.039 6.424 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -16.007 6.259 5.997 1.00 0.00 H new ATOM 892 N VAL A 58 -9.129 5.255 2.469 1.00 0.00 N ATOM 893 CA VAL A 58 -7.880 4.654 1.988 1.00 0.00 C ATOM 894 C VAL A 58 -6.725 5.109 2.882 1.00 0.00 C ATOM 895 O VAL A 58 -6.478 6.308 3.017 1.00 0.00 O ATOM 896 CB VAL A 58 -7.591 5.048 0.493 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.261 4.438 -0.017 1.00 0.00 C ATOM 898 CG2 VAL A 58 -8.770 4.635 -0.418 1.00 0.00 C ATOM 0 H VAL A 58 -9.303 6.184 2.087 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.979 3.569 2.031 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.486 6.132 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.099 4.734 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.436 4.799 0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.311 3.351 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.550 4.916 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.914 3.556 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.678 5.141 -0.090 1.00 0.00 H new ATOM 908 N HIS A 59 -6.044 4.146 3.503 1.00 0.00 N ATOM 909 CA HIS A 59 -4.881 4.389 4.361 1.00 0.00 C ATOM 910 C HIS A 59 -3.628 4.218 3.502 1.00 0.00 C ATOM 911 O HIS A 59 -3.414 3.145 2.925 1.00 0.00 O ATOM 912 CB HIS A 59 -4.902 3.400 5.555 1.00 0.00 C ATOM 913 CG HIS A 59 -6.112 3.562 6.433 1.00 0.00 C ATOM 914 ND1 HIS A 59 -7.401 3.402 5.962 1.00 0.00 N ATOM 915 CD2 HIS A 59 -6.234 3.925 7.731 1.00 0.00 C ATOM 916 CE1 HIS A 59 -8.254 3.651 6.931 1.00 0.00 C ATOM 917 NE2 HIS A 59 -7.575 3.971 8.011 1.00 0.00 N ATOM 0 H HIS A 59 -6.288 3.159 3.424 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.895 5.397 4.776 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.871 2.379 5.174 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.003 3.544 6.155 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.427 4.138 8.417 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -9.330 3.601 6.853 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -7.982 4.215 8.914 1.00 0.00 H new ATOM 926 N THR A 60 -2.803 5.265 3.430 1.00 0.00 N ATOM 927 CA THR A 60 -1.678 5.345 2.490 1.00 0.00 C ATOM 928 C THR A 60 -0.370 5.340 3.283 1.00 0.00 C ATOM 929 O THR A 60 -0.281 5.957 4.355 1.00 0.00 O ATOM 930 CB THR A 60 -1.783 6.634 1.599 1.00 0.00 C ATOM 931 OG1 THR A 60 -1.935 7.796 2.430 1.00 0.00 O ATOM 932 CG2 THR A 60 -2.970 6.564 0.618 1.00 0.00 C ATOM 0 H THR A 60 -2.896 6.088 4.026 1.00 0.00 H new ATOM 0 HA THR A 60 -1.703 4.484 1.822 1.00 0.00 H new ATOM 0 HB THR A 60 -0.862 6.699 1.019 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.189 8.411 2.272 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.004 7.476 0.022 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.847 5.705 -0.041 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.899 6.462 1.178 1.00 0.00 H new ATOM 940 N TYR A 61 0.647 4.650 2.751 1.00 0.00 N ATOM 941 CA TYR A 61 1.950 4.497 3.411 1.00 0.00 C ATOM 942 C TYR A 61 3.028 4.715 2.353 1.00 0.00 C ATOM 943 O TYR A 61 3.304 3.804 1.570 1.00 0.00 O ATOM 944 CB TYR A 61 2.081 3.077 4.053 1.00 0.00 C ATOM 945 CG TYR A 61 0.915 2.705 4.990 1.00 0.00 C ATOM 946 CD1 TYR A 61 0.844 3.224 6.290 1.00 0.00 C ATOM 947 CD2 TYR A 61 -0.128 1.874 4.559 1.00 0.00 C ATOM 948 CE1 TYR A 61 -0.217 2.921 7.119 1.00 0.00 C ATOM 949 CE2 TYR A 61 -1.192 1.583 5.387 1.00 0.00 C ATOM 950 CZ TYR A 61 -1.231 2.103 6.666 1.00 0.00 C ATOM 951 OH TYR A 61 -2.301 1.820 7.485 1.00 0.00 O ATOM 0 H TYR A 61 0.589 4.180 1.847 1.00 0.00 H new ATOM 0 HA TYR A 61 2.057 5.224 4.216 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.146 2.334 3.258 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.015 3.027 4.613 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.631 3.871 6.648 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.098 1.455 3.564 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.253 3.324 8.120 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.993 0.950 5.036 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.106 1.017 8.012 1.00 0.00 H new ATOM 961 N ARG A 62 3.615 5.928 2.297 1.00 0.00 N ATOM 962 CA ARG A 62 4.702 6.203 1.354 1.00 0.00 C ATOM 963 C ARG A 62 6.001 5.658 1.966 1.00 0.00 C ATOM 964 O ARG A 62 6.632 6.274 2.809 1.00 0.00 O ATOM 965 CB ARG A 62 4.763 7.730 0.965 1.00 0.00 C ATOM 966 CG ARG A 62 5.306 8.775 1.997 1.00 0.00 C ATOM 967 CD ARG A 62 4.505 8.920 3.318 1.00 0.00 C ATOM 968 NE ARG A 62 4.788 7.841 4.298 1.00 0.00 N ATOM 969 CZ ARG A 62 4.022 7.499 5.346 1.00 0.00 C ATOM 970 NH1 ARG A 62 2.892 8.139 5.601 1.00 0.00 N ATOM 971 NH2 ARG A 62 4.400 6.502 6.130 1.00 0.00 N ATOM 0 H ARG A 62 3.355 6.718 2.887 1.00 0.00 H new ATOM 0 HA ARG A 62 4.532 5.695 0.405 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.375 7.812 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.753 8.037 0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.332 8.506 2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.341 9.750 1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.737 9.883 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.439 8.924 3.090 1.00 0.00 H new ATOM 0 HE ARG A 62 5.647 7.308 4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.592 8.904 4.997 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.321 7.867 6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.267 6.001 5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.825 6.235 6.929 1.00 0.00 H new ATOM 985 N ILE A 63 6.319 4.428 1.600 1.00 0.00 N ATOM 986 CA ILE A 63 7.509 3.708 2.058 1.00 0.00 C ATOM 987 C ILE A 63 8.744 4.162 1.267 1.00 0.00 C ATOM 988 O ILE A 63 8.682 4.297 0.048 1.00 0.00 O ATOM 989 CB ILE A 63 7.229 2.167 1.878 1.00 0.00 C ATOM 990 CG1 ILE A 63 5.855 1.800 2.551 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.379 1.304 2.436 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.269 0.465 2.143 1.00 0.00 C ATOM 0 H ILE A 63 5.744 3.882 0.958 1.00 0.00 H new ATOM 0 HA ILE A 63 7.716 3.920 3.107 1.00 0.00 H new ATOM 0 HB ILE A 63 7.170 1.949 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.987 1.804 3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.133 2.582 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.145 0.249 2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.303 1.546 1.911 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.502 1.506 3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.324 0.308 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.097 0.457 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.964 -0.333 2.406 1.00 0.00 H new ATOM 1004 N LEU A 64 9.869 4.378 1.966 1.00 0.00 N ATOM 1005 CA LEU A 64 11.101 4.924 1.366 1.00 0.00 C ATOM 1006 C LEU A 64 12.233 3.910 1.578 1.00 0.00 C ATOM 1007 O LEU A 64 12.287 3.271 2.639 1.00 0.00 O ATOM 1008 CB LEU A 64 11.539 6.287 2.010 1.00 0.00 C ATOM 1009 CG LEU A 64 10.710 7.571 1.661 1.00 0.00 C ATOM 1010 CD1 LEU A 64 9.329 7.577 2.328 1.00 0.00 C ATOM 1011 CD2 LEU A 64 11.500 8.853 2.019 1.00 0.00 C ATOM 0 H LEU A 64 9.952 4.180 2.963 1.00 0.00 H new ATOM 0 HA LEU A 64 10.900 5.104 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.523 6.164 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.575 6.472 1.726 1.00 0.00 H new ATOM 0 HG LEU A 64 10.542 7.555 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.796 8.488 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.760 6.709 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.448 7.538 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.904 9.730 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.721 8.858 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.433 8.875 1.456 1.00 0.00 H new ATOM 1023 N PRO A 65 13.134 3.723 0.568 1.00 0.00 N ATOM 1024 CA PRO A 65 14.477 3.150 0.810 1.00 0.00 C ATOM 1025 C PRO A 65 15.233 4.039 1.827 1.00 0.00 C ATOM 1026 O PRO A 65 15.524 5.201 1.529 1.00 0.00 O ATOM 1027 CB PRO A 65 15.137 3.157 -0.597 1.00 0.00 C ATOM 1028 CG PRO A 65 13.974 3.162 -1.548 1.00 0.00 C ATOM 1029 CD PRO A 65 12.908 4.005 -0.877 1.00 0.00 C ATOM 0 HA PRO A 65 14.471 2.147 1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.769 4.034 -0.736 1.00 0.00 H new ATOM 0 HB3 PRO A 65 15.769 2.281 -0.745 1.00 0.00 H new ATOM 0 HG2 PRO A 65 14.257 3.582 -2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.615 2.150 -1.734 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.025 5.064 -1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.905 3.719 -1.194 1.00 0.00 H new ATOM 1037 N ASP A 66 15.537 3.508 3.017 1.00 0.00 N ATOM 1038 CA ASP A 66 15.867 4.319 4.215 1.00 0.00 C ATOM 1039 C ASP A 66 17.262 3.915 4.778 1.00 0.00 C ATOM 1040 O ASP A 66 17.721 4.434 5.798 1.00 0.00 O ATOM 1041 CB ASP A 66 14.723 4.100 5.253 1.00 0.00 C ATOM 1042 CG ASP A 66 14.914 4.849 6.581 1.00 0.00 C ATOM 1043 OD1 ASP A 66 14.703 6.078 6.619 1.00 0.00 O ATOM 1044 OD2 ASP A 66 15.272 4.208 7.597 1.00 0.00 O ATOM 0 H ASP A 66 15.564 2.502 3.186 1.00 0.00 H new ATOM 0 HA ASP A 66 15.934 5.379 3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.780 4.414 4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.638 3.033 5.461 1.00 0.00 H new ATOM 1049 N GLY A 67 17.953 3.023 4.051 1.00 0.00 N ATOM 1050 CA GLY A 67 19.229 2.445 4.479 1.00 0.00 C ATOM 1051 C GLY A 67 19.675 1.394 3.479 1.00 0.00 C ATOM 1052 O GLY A 67 18.827 0.623 3.027 1.00 0.00 O ATOM 0 H GLY A 67 17.636 2.682 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.984 3.227 4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.124 1.999 5.468 1.00 0.00 H new ATOM 1056 N GLU A 68 20.999 1.326 3.189 1.00 0.00 N ATOM 1057 CA GLU A 68 21.607 0.582 2.046 1.00 0.00 C ATOM 1058 C GLU A 68 20.780 0.511 0.728 1.00 0.00 C ATOM 1059 O GLU A 68 21.051 1.248 -0.223 1.00 0.00 O ATOM 1060 CB GLU A 68 22.059 -0.835 2.500 1.00 0.00 C ATOM 1061 CG GLU A 68 23.238 -0.845 3.499 1.00 0.00 C ATOM 1062 CD GLU A 68 24.508 -0.159 2.961 1.00 0.00 C ATOM 1063 OE1 GLU A 68 25.149 -0.707 2.040 1.00 0.00 O ATOM 1064 OE2 GLU A 68 24.882 0.927 3.453 1.00 0.00 O ATOM 0 H GLU A 68 21.699 1.801 3.759 1.00 0.00 H new ATOM 0 HA GLU A 68 22.467 1.191 1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 68 21.210 -1.344 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 68 22.341 -1.412 1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 68 22.928 -0.348 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 68 23.475 -1.877 3.759 1.00 0.00 H new ATOM 1071 N ASP A 69 19.759 -0.349 0.708 1.00 0.00 N ATOM 1072 CA ASP A 69 19.089 -0.803 -0.529 1.00 0.00 C ATOM 1073 C ASP A 69 17.725 -1.426 -0.143 1.00 0.00 C ATOM 1074 O ASP A 69 17.115 -2.189 -0.902 1.00 0.00 O ATOM 1075 CB ASP A 69 20.008 -1.827 -1.275 1.00 0.00 C ATOM 1076 CG ASP A 69 19.513 -2.197 -2.686 1.00 0.00 C ATOM 1077 OD1 ASP A 69 19.511 -1.321 -3.573 1.00 0.00 O ATOM 1078 OD2 ASP A 69 19.132 -3.368 -2.923 1.00 0.00 O ATOM 0 H ASP A 69 19.365 -0.758 1.555 1.00 0.00 H new ATOM 0 HA ASP A 69 18.911 0.031 -1.208 1.00 0.00 H new ATOM 0 HB2 ASP A 69 21.013 -1.411 -1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.083 -2.735 -0.677 1.00 0.00 H new ATOM 1083 N PHE A 70 17.222 -1.031 1.042 1.00 0.00 N ATOM 1084 CA PHE A 70 16.049 -1.641 1.685 1.00 0.00 C ATOM 1085 C PHE A 70 15.028 -0.552 2.039 1.00 0.00 C ATOM 1086 O PHE A 70 15.409 0.579 2.349 1.00 0.00 O ATOM 1087 CB PHE A 70 16.465 -2.396 2.971 1.00 0.00 C ATOM 1088 CG PHE A 70 17.348 -3.625 2.750 1.00 0.00 C ATOM 1089 CD1 PHE A 70 18.718 -3.494 2.522 1.00 0.00 C ATOM 1090 CD2 PHE A 70 16.804 -4.911 2.762 1.00 0.00 C ATOM 1091 CE1 PHE A 70 19.514 -4.605 2.327 1.00 0.00 C ATOM 1092 CE2 PHE A 70 17.601 -6.021 2.569 1.00 0.00 C ATOM 1093 CZ PHE A 70 18.956 -5.870 2.343 1.00 0.00 C ATOM 0 H PHE A 70 17.627 -0.268 1.585 1.00 0.00 H new ATOM 0 HA PHE A 70 15.602 -2.351 0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 70 16.993 -1.702 3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 70 15.563 -2.707 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 70 19.162 -2.510 2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 70 15.744 -5.039 2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 70 20.575 -4.486 2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 70 17.165 -7.009 2.595 1.00 0.00 H new ATOM 0 HZ PHE A 70 19.578 -6.738 2.179 1.00 0.00 H new ATOM 1103 N LEU A 71 13.747 -0.938 2.042 1.00 0.00 N ATOM 1104 CA LEU A 71 12.610 -0.038 2.300 1.00 0.00 C ATOM 1105 C LEU A 71 12.154 -0.183 3.761 1.00 0.00 C ATOM 1106 O LEU A 71 12.260 -1.267 4.339 1.00 0.00 O ATOM 1107 CB LEU A 71 11.429 -0.359 1.336 1.00 0.00 C ATOM 1108 CG LEU A 71 11.583 0.087 -0.158 1.00 0.00 C ATOM 1109 CD1 LEU A 71 12.664 -0.717 -0.914 1.00 0.00 C ATOM 1110 CD2 LEU A 71 10.225 0.019 -0.893 1.00 0.00 C ATOM 0 H LEU A 71 13.463 -1.901 1.862 1.00 0.00 H new ATOM 0 HA LEU A 71 12.929 0.989 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.263 -1.436 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.529 0.108 1.737 1.00 0.00 H new ATOM 0 HG LEU A 71 11.921 1.123 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.726 -0.365 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.628 -0.580 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.401 -1.775 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.356 0.333 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.849 -1.004 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.511 0.680 -0.401 1.00 0.00 H new ATOM 1122 N ALA A 72 11.613 0.909 4.331 1.00 0.00 N ATOM 1123 CA ALA A 72 11.135 0.951 5.728 1.00 0.00 C ATOM 1124 C ALA A 72 9.772 1.667 5.793 1.00 0.00 C ATOM 1125 O ALA A 72 9.649 2.837 5.400 1.00 0.00 O ATOM 1126 CB ALA A 72 12.171 1.645 6.634 1.00 0.00 C ATOM 0 H ALA A 72 11.494 1.792 3.834 1.00 0.00 H new ATOM 0 HA ALA A 72 11.007 -0.069 6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.801 1.667 7.659 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.111 1.095 6.599 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.334 2.665 6.286 1.00 0.00 H new ATOM 1132 N VAL A 73 8.758 0.939 6.288 1.00 0.00 N ATOM 1133 CA VAL A 73 7.368 1.422 6.406 1.00 0.00 C ATOM 1134 C VAL A 73 7.231 2.198 7.724 1.00 0.00 C ATOM 1135 O VAL A 73 7.601 1.688 8.775 1.00 0.00 O ATOM 1136 CB VAL A 73 6.351 0.215 6.391 1.00 0.00 C ATOM 1137 CG1 VAL A 73 4.879 0.708 6.283 1.00 0.00 C ATOM 1138 CG2 VAL A 73 6.709 -0.801 5.270 1.00 0.00 C ATOM 0 H VAL A 73 8.880 -0.017 6.623 1.00 0.00 H new ATOM 0 HA VAL A 73 7.139 2.068 5.559 1.00 0.00 H new ATOM 0 HB VAL A 73 6.438 -0.307 7.344 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.207 -0.150 6.275 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.645 1.344 7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.752 1.276 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.993 -1.623 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.673 -0.302 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.712 -1.192 5.440 1.00 0.00 H new ATOM 1148 N GLN A 74 6.708 3.433 7.676 1.00 0.00 N ATOM 1149 CA GLN A 74 6.633 4.300 8.866 1.00 0.00 C ATOM 1150 C GLN A 74 5.161 4.454 9.273 1.00 0.00 C ATOM 1151 O GLN A 74 4.449 5.334 8.791 1.00 0.00 O ATOM 1152 CB GLN A 74 7.317 5.670 8.579 1.00 0.00 C ATOM 1153 CG GLN A 74 8.790 5.542 8.108 1.00 0.00 C ATOM 1154 CD GLN A 74 9.707 4.836 9.118 1.00 0.00 C ATOM 1155 OE1 GLN A 74 9.543 4.969 10.335 1.00 0.00 O ATOM 1156 NE2 GLN A 74 10.653 4.043 8.622 1.00 0.00 N ATOM 0 H GLN A 74 6.331 3.855 6.827 1.00 0.00 H new ATOM 0 HA GLN A 74 7.172 3.850 9.700 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.745 6.200 7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.285 6.279 9.482 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.814 4.994 7.166 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.185 6.538 7.908 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.765 3.953 7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 74 11.266 3.525 9.252 1.00 0.00 H new ATOM 1165 N THR A 75 4.717 3.503 10.098 1.00 0.00 N ATOM 1166 CA THR A 75 3.375 3.486 10.695 1.00 0.00 C ATOM 1167 C THR A 75 3.450 3.007 12.154 1.00 0.00 C ATOM 1168 O THR A 75 4.262 2.145 12.472 1.00 0.00 O ATOM 1169 CB THR A 75 2.389 2.574 9.870 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.094 2.532 10.505 1.00 0.00 O ATOM 1171 CG2 THR A 75 2.917 1.131 9.685 1.00 0.00 C ATOM 0 H THR A 75 5.290 2.706 10.377 1.00 0.00 H new ATOM 0 HA THR A 75 2.985 4.504 10.673 1.00 0.00 H new ATOM 0 HB THR A 75 2.308 3.023 8.880 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.491 1.964 9.982 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.196 0.551 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.868 1.157 9.154 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.059 0.668 10.661 1.00 0.00 H new ATOM 1179 N SER A 76 2.673 3.675 13.032 1.00 0.00 N ATOM 1180 CA SER A 76 2.342 3.223 14.411 1.00 0.00 C ATOM 1181 C SER A 76 3.555 3.092 15.385 1.00 0.00 C ATOM 1182 O SER A 76 3.343 2.786 16.565 1.00 0.00 O ATOM 1183 CB SER A 76 1.524 1.908 14.354 1.00 0.00 C ATOM 1184 OG SER A 76 0.398 2.040 13.494 1.00 0.00 O ATOM 0 H SER A 76 2.243 4.570 12.800 1.00 0.00 H new ATOM 0 HA SER A 76 1.742 4.024 14.843 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.160 1.096 14.003 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.190 1.640 15.356 1.00 0.00 H new ATOM 0 HG SER A 76 0.704 2.162 12.571 1.00 0.00 H new ATOM 1190 N GLN A 77 4.792 3.352 14.894 1.00 0.00 N ATOM 1191 CA GLN A 77 6.057 3.234 15.654 1.00 0.00 C ATOM 1192 C GLN A 77 6.311 1.784 16.164 1.00 0.00 C ATOM 1193 O GLN A 77 7.073 1.035 15.537 1.00 0.00 O ATOM 1194 CB GLN A 77 6.118 4.278 16.809 1.00 0.00 C ATOM 1195 CG GLN A 77 7.406 4.236 17.665 1.00 0.00 C ATOM 1196 CD GLN A 77 7.363 5.199 18.851 1.00 0.00 C ATOM 1197 OE1 GLN A 77 6.905 4.845 19.935 1.00 0.00 O ATOM 1198 NE2 GLN A 77 7.829 6.414 18.656 1.00 0.00 N ATOM 0 H GLN A 77 4.939 3.658 13.932 1.00 0.00 H new ATOM 0 HA GLN A 77 6.869 3.459 14.963 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.017 5.276 16.382 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.260 4.123 17.463 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.559 3.221 18.033 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.262 4.480 17.036 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.203 6.677 17.744 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.817 7.093 19.417 1.00 0.00 H new ATOM 1207 N GLY A 78 5.643 1.405 17.280 1.00 0.00 N ATOM 1208 CA GLY A 78 5.879 0.132 17.982 1.00 0.00 C ATOM 1209 C GLY A 78 5.670 -1.138 17.147 1.00 0.00 C ATOM 1210 O GLY A 78 6.287 -2.166 17.445 1.00 0.00 O ATOM 0 H GLY A 78 4.923 1.981 17.716 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.901 0.131 18.361 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.218 0.088 18.848 1.00 0.00 H new ATOM 1214 N VAL A 79 4.778 -1.073 16.133 1.00 0.00 N ATOM 1215 CA VAL A 79 4.538 -2.207 15.205 1.00 0.00 C ATOM 1216 C VAL A 79 5.867 -2.639 14.509 1.00 0.00 C ATOM 1217 O VAL A 79 6.561 -1.787 13.953 1.00 0.00 O ATOM 1218 CB VAL A 79 3.418 -1.889 14.137 1.00 0.00 C ATOM 1219 CG1 VAL A 79 3.816 -0.738 13.194 1.00 0.00 C ATOM 1220 CG2 VAL A 79 3.028 -3.146 13.320 1.00 0.00 C ATOM 0 H VAL A 79 4.211 -0.248 15.935 1.00 0.00 H new ATOM 0 HA VAL A 79 4.170 -3.039 15.806 1.00 0.00 H new ATOM 0 HB VAL A 79 2.545 -1.565 14.703 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.013 -0.559 12.479 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.991 0.166 13.777 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.726 -1.006 12.657 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.255 -2.885 12.597 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.904 -3.524 12.794 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.649 -3.915 13.994 1.00 0.00 H new ATOM 1230 N PRO A 80 6.277 -3.951 14.615 1.00 0.00 N ATOM 1231 CA PRO A 80 7.498 -4.467 13.941 1.00 0.00 C ATOM 1232 C PRO A 80 7.544 -4.148 12.424 1.00 0.00 C ATOM 1233 O PRO A 80 6.704 -4.622 11.645 1.00 0.00 O ATOM 1234 CB PRO A 80 7.435 -5.994 14.206 1.00 0.00 C ATOM 1235 CG PRO A 80 6.680 -6.110 15.497 1.00 0.00 C ATOM 1236 CD PRO A 80 5.634 -5.012 15.444 1.00 0.00 C ATOM 0 HA PRO A 80 8.403 -3.997 14.326 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.925 -6.518 13.398 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.432 -6.426 14.287 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.216 -7.092 15.596 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.342 -5.983 16.354 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.706 -5.364 14.994 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.386 -4.646 16.441 1.00 0.00 H new ATOM 1244 N VAL A 81 8.515 -3.297 12.038 1.00 0.00 N ATOM 1245 CA VAL A 81 8.754 -2.883 10.644 1.00 0.00 C ATOM 1246 C VAL A 81 9.947 -3.669 10.095 1.00 0.00 C ATOM 1247 O VAL A 81 10.982 -3.768 10.764 1.00 0.00 O ATOM 1248 CB VAL A 81 9.043 -1.334 10.546 1.00 0.00 C ATOM 1249 CG1 VAL A 81 9.461 -0.900 9.108 1.00 0.00 C ATOM 1250 CG2 VAL A 81 7.813 -0.530 11.038 1.00 0.00 C ATOM 0 H VAL A 81 9.165 -2.872 12.699 1.00 0.00 H new ATOM 0 HA VAL A 81 7.860 -3.092 10.057 1.00 0.00 H new ATOM 0 HB VAL A 81 9.891 -1.114 11.195 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.649 0.174 9.092 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.367 -1.431 8.817 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.660 -1.138 8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.023 0.537 10.966 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.949 -0.772 10.419 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.600 -0.789 12.075 1.00 0.00 H new ATOM 1260 N ARG A 82 9.817 -4.207 8.874 1.00 0.00 N ATOM 1261 CA ARG A 82 10.885 -4.984 8.235 1.00 0.00 C ATOM 1262 C ARG A 82 11.540 -4.137 7.141 1.00 0.00 C ATOM 1263 O ARG A 82 10.902 -3.246 6.560 1.00 0.00 O ATOM 1264 CB ARG A 82 10.352 -6.313 7.616 1.00 0.00 C ATOM 1265 CG ARG A 82 9.713 -7.321 8.606 1.00 0.00 C ATOM 1266 CD ARG A 82 8.314 -6.907 9.083 1.00 0.00 C ATOM 1267 NE ARG A 82 7.692 -7.918 9.946 1.00 0.00 N ATOM 1268 CZ ARG A 82 6.417 -7.929 10.336 1.00 0.00 C ATOM 1269 NH1 ARG A 82 5.576 -6.954 9.990 1.00 0.00 N ATOM 1270 NH2 ARG A 82 5.988 -8.918 11.094 1.00 0.00 N ATOM 0 H ARG A 82 8.975 -4.116 8.306 1.00 0.00 H new ATOM 0 HA ARG A 82 11.613 -5.246 9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.612 -6.064 6.855 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.178 -6.809 7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.651 -8.298 8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.366 -7.431 9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.383 -5.964 9.625 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.676 -6.731 8.217 1.00 0.00 H new ATOM 0 HE ARG A 82 8.287 -8.678 10.276 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.904 -6.178 9.415 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.605 -6.984 10.300 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.629 -9.661 11.374 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.015 -8.941 11.401 1.00 0.00 H new ATOM 1284 N ARG A 83 12.819 -4.414 6.887 1.00 0.00 N ATOM 1285 CA ARG A 83 13.551 -3.863 5.744 1.00 0.00 C ATOM 1286 C ARG A 83 13.286 -4.766 4.517 1.00 0.00 C ATOM 1287 O ARG A 83 13.513 -5.983 4.574 1.00 0.00 O ATOM 1288 CB ARG A 83 15.080 -3.685 6.093 1.00 0.00 C ATOM 1289 CG ARG A 83 15.714 -4.749 7.040 1.00 0.00 C ATOM 1290 CD ARG A 83 15.955 -6.132 6.402 1.00 0.00 C ATOM 1291 NE ARG A 83 16.397 -7.126 7.392 1.00 0.00 N ATOM 1292 CZ ARG A 83 16.323 -8.459 7.249 1.00 0.00 C ATOM 1293 NH1 ARG A 83 15.780 -9.008 6.162 1.00 0.00 N ATOM 1294 NH2 ARG A 83 16.766 -9.238 8.217 1.00 0.00 N ATOM 0 H ARG A 83 13.381 -5.032 7.472 1.00 0.00 H new ATOM 0 HA ARG A 83 13.199 -2.861 5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.643 -3.682 5.160 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.212 -2.703 6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 83 16.666 -4.365 7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 83 15.065 -4.874 7.907 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.037 -6.477 5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.706 -6.043 5.617 1.00 0.00 H new ATOM 0 HE ARG A 83 16.794 -6.772 8.262 1.00 0.00 H new ATOM 0 HH11 ARG A 83 15.411 -8.413 5.420 1.00 0.00 H new ATOM 0 HH12 ARG A 83 15.733 -10.023 6.072 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.160 -8.826 9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 83 16.715 -10.252 8.119 1.00 0.00 H new ATOM 1308 N PHE A 84 12.742 -4.200 3.422 1.00 0.00 N ATOM 1309 CA PHE A 84 12.374 -4.983 2.228 1.00 0.00 C ATOM 1310 C PHE A 84 13.357 -4.706 1.093 1.00 0.00 C ATOM 1311 O PHE A 84 13.595 -3.549 0.750 1.00 0.00 O ATOM 1312 CB PHE A 84 10.925 -4.637 1.792 1.00 0.00 C ATOM 1313 CG PHE A 84 9.873 -4.908 2.869 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.429 -6.207 3.114 1.00 0.00 C ATOM 1315 CD2 PHE A 84 9.334 -3.875 3.641 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.487 -6.467 4.088 1.00 0.00 C ATOM 1317 CE2 PHE A 84 8.390 -4.137 4.619 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.963 -5.434 4.840 1.00 0.00 C ATOM 0 H PHE A 84 12.548 -3.202 3.341 1.00 0.00 H new ATOM 0 HA PHE A 84 12.420 -6.044 2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.882 -3.584 1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.676 -5.214 0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.829 -7.024 2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.658 -2.859 3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.159 -7.481 4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.987 -3.328 5.210 1.00 0.00 H new ATOM 0 HZ PHE A 84 7.222 -5.638 5.599 1.00 0.00 H new ATOM 1328 N GLN A 85 13.899 -5.776 0.486 1.00 0.00 N ATOM 1329 CA GLN A 85 14.898 -5.663 -0.588 1.00 0.00 C ATOM 1330 C GLN A 85 14.177 -5.467 -1.938 1.00 0.00 C ATOM 1331 O GLN A 85 14.785 -5.028 -2.914 1.00 0.00 O ATOM 1332 CB GLN A 85 15.819 -6.914 -0.605 1.00 0.00 C ATOM 1333 CG GLN A 85 17.012 -6.850 -1.591 1.00 0.00 C ATOM 1334 CD GLN A 85 17.864 -8.125 -1.608 1.00 0.00 C ATOM 1335 OE1 GLN A 85 17.370 -9.223 -1.348 1.00 0.00 O ATOM 1336 NE2 GLN A 85 19.144 -7.989 -1.929 1.00 0.00 N ATOM 0 H GLN A 85 13.658 -6.738 0.725 1.00 0.00 H new ATOM 0 HA GLN A 85 15.534 -4.796 -0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.209 -7.070 0.401 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.213 -7.786 -0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.633 -6.663 -2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.646 -6.003 -1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.522 -7.065 -2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.750 -8.808 -1.966 1.00 0.00 H new ATOM 1345 N THR A 86 12.875 -5.785 -1.981 1.00 0.00 N ATOM 1346 CA THR A 86 12.025 -5.500 -3.144 1.00 0.00 C ATOM 1347 C THR A 86 10.550 -5.391 -2.716 1.00 0.00 C ATOM 1348 O THR A 86 10.175 -5.828 -1.609 1.00 0.00 O ATOM 1349 CB THR A 86 12.208 -6.580 -4.275 1.00 0.00 C ATOM 1350 OG1 THR A 86 11.579 -6.127 -5.487 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.653 -7.969 -3.890 1.00 0.00 C ATOM 0 H THR A 86 12.384 -6.245 -1.214 1.00 0.00 H new ATOM 0 HA THR A 86 12.336 -4.542 -3.560 1.00 0.00 H new ATOM 0 HB THR A 86 13.281 -6.699 -4.422 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.697 -6.801 -6.188 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.812 -8.665 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.169 -8.334 -3.002 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.586 -7.890 -3.682 1.00 0.00 H new ATOM 1359 N LEU A 87 9.730 -4.798 -3.610 1.00 0.00 N ATOM 1360 CA LEU A 87 8.272 -4.643 -3.420 1.00 0.00 C ATOM 1361 C LEU A 87 7.570 -6.005 -3.271 1.00 0.00 C ATOM 1362 O LEU A 87 6.581 -6.101 -2.553 1.00 0.00 O ATOM 1363 CB LEU A 87 7.639 -3.855 -4.599 1.00 0.00 C ATOM 1364 CG LEU A 87 8.089 -2.369 -4.740 1.00 0.00 C ATOM 1365 CD1 LEU A 87 7.462 -1.705 -5.987 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.776 -1.570 -3.447 1.00 0.00 C ATOM 0 H LEU A 87 10.065 -4.410 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 87 8.129 -4.081 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.874 -4.376 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.555 -3.878 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 87 9.170 -2.359 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.797 -0.670 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.771 -2.246 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.375 -1.730 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.099 -0.536 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.703 -1.594 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.305 -2.018 -2.606 1.00 0.00 H new ATOM 1378 N GLY A 88 8.101 -7.049 -3.947 1.00 0.00 N ATOM 1379 CA GLY A 88 7.539 -8.409 -3.855 1.00 0.00 C ATOM 1380 C GLY A 88 7.459 -8.920 -2.416 1.00 0.00 C ATOM 1381 O GLY A 88 6.441 -9.487 -1.998 1.00 0.00 O ATOM 0 H GLY A 88 8.914 -6.973 -4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.541 -8.416 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.151 -9.091 -4.445 1.00 0.00 H new ATOM 1385 N GLU A 89 8.528 -8.646 -1.649 1.00 0.00 N ATOM 1386 CA GLU A 89 8.632 -9.014 -0.223 1.00 0.00 C ATOM 1387 C GLU A 89 7.599 -8.244 0.624 1.00 0.00 C ATOM 1388 O GLU A 89 6.983 -8.806 1.542 1.00 0.00 O ATOM 1389 CB GLU A 89 10.068 -8.720 0.271 1.00 0.00 C ATOM 1390 CG GLU A 89 11.171 -9.466 -0.515 1.00 0.00 C ATOM 1391 CD GLU A 89 11.206 -10.990 -0.270 1.00 0.00 C ATOM 1392 OE1 GLU A 89 10.375 -11.730 -0.843 1.00 0.00 O ATOM 1393 OE2 GLU A 89 12.068 -11.456 0.496 1.00 0.00 O ATOM 0 H GLU A 89 9.352 -8.159 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 89 8.419 -10.077 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.251 -7.648 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.141 -8.991 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.028 -9.284 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.140 -9.044 -0.247 1.00 0.00 H new ATOM 1400 N LEU A 90 7.409 -6.961 0.270 1.00 0.00 N ATOM 1401 CA LEU A 90 6.454 -6.053 0.929 1.00 0.00 C ATOM 1402 C LEU A 90 5.003 -6.529 0.741 1.00 0.00 C ATOM 1403 O LEU A 90 4.230 -6.566 1.695 1.00 0.00 O ATOM 1404 CB LEU A 90 6.626 -4.621 0.351 1.00 0.00 C ATOM 1405 CG LEU A 90 5.570 -3.553 0.792 1.00 0.00 C ATOM 1406 CD1 LEU A 90 5.673 -3.231 2.302 1.00 0.00 C ATOM 1407 CD2 LEU A 90 5.671 -2.281 -0.086 1.00 0.00 C ATOM 0 H LEU A 90 7.922 -6.519 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 90 6.663 -6.048 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.615 -4.258 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.608 -4.689 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 90 4.579 -3.979 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.923 -2.486 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.502 -4.139 2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.666 -2.841 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.927 -1.554 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.667 -1.850 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.490 -2.543 -1.128 1.00 0.00 H new ATOM 1419 N ILE A 91 4.684 -6.984 -0.476 1.00 0.00 N ATOM 1420 CA ILE A 91 3.290 -7.237 -0.889 1.00 0.00 C ATOM 1421 C ILE A 91 2.871 -8.644 -0.437 1.00 0.00 C ATOM 1422 O ILE A 91 1.703 -8.883 -0.134 1.00 0.00 O ATOM 1423 CB ILE A 91 3.103 -7.044 -2.446 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.496 -5.589 -2.876 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.658 -7.377 -2.917 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.695 -4.474 -2.216 1.00 0.00 C ATOM 0 H ILE A 91 5.374 -7.187 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 91 2.641 -6.507 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 91 3.772 -7.752 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.552 -5.435 -2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.382 -5.504 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.583 -7.228 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.427 -8.415 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.950 -6.721 -2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.045 -3.509 -2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.639 -4.592 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.827 -4.522 -1.135 1.00 0.00 H new ATOM 1438 N GLY A 92 3.862 -9.554 -0.331 1.00 0.00 N ATOM 1439 CA GLY A 92 3.618 -10.916 0.135 1.00 0.00 C ATOM 1440 C GLY A 92 3.383 -10.959 1.643 1.00 0.00 C ATOM 1441 O GLY A 92 2.425 -11.584 2.112 1.00 0.00 O ATOM 0 H GLY A 92 4.836 -9.360 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.751 -11.328 -0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.470 -11.547 -0.119 1.00 0.00 H new ATOM 1445 N LEU A 93 4.266 -10.281 2.400 1.00 0.00 N ATOM 1446 CA LEU A 93 4.165 -10.174 3.873 1.00 0.00 C ATOM 1447 C LEU A 93 2.845 -9.468 4.272 1.00 0.00 C ATOM 1448 O LEU A 93 2.141 -9.918 5.183 1.00 0.00 O ATOM 1449 CB LEU A 93 5.423 -9.425 4.426 1.00 0.00 C ATOM 1450 CG LEU A 93 5.748 -9.581 5.966 1.00 0.00 C ATOM 1451 CD1 LEU A 93 7.239 -9.295 6.256 1.00 0.00 C ATOM 1452 CD2 LEU A 93 4.852 -8.687 6.868 1.00 0.00 C ATOM 0 H LEU A 93 5.071 -9.791 2.010 1.00 0.00 H new ATOM 0 HA LEU A 93 4.142 -11.169 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.292 -9.766 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.302 -8.363 4.214 1.00 0.00 H new ATOM 0 HG LEU A 93 5.527 -10.619 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.431 -9.410 7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.859 -9.996 5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.480 -8.276 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.122 -8.838 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.999 -7.640 6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.806 -8.955 6.721 1.00 0.00 H new ATOM 1464 N TYR A 94 2.517 -8.380 3.556 1.00 0.00 N ATOM 1465 CA TYR A 94 1.315 -7.560 3.821 1.00 0.00 C ATOM 1466 C TYR A 94 0.034 -8.197 3.240 1.00 0.00 C ATOM 1467 O TYR A 94 -1.072 -7.729 3.521 1.00 0.00 O ATOM 1468 CB TYR A 94 1.545 -6.110 3.290 1.00 0.00 C ATOM 1469 CG TYR A 94 2.425 -5.225 4.209 1.00 0.00 C ATOM 1470 CD1 TYR A 94 3.586 -5.722 4.818 1.00 0.00 C ATOM 1471 CD2 TYR A 94 2.081 -3.896 4.478 1.00 0.00 C ATOM 1472 CE1 TYR A 94 4.349 -4.937 5.656 1.00 0.00 C ATOM 1473 CE2 TYR A 94 2.848 -3.109 5.311 1.00 0.00 C ATOM 1474 CZ TYR A 94 3.977 -3.633 5.898 1.00 0.00 C ATOM 1475 OH TYR A 94 4.728 -2.854 6.747 1.00 0.00 O ATOM 0 H TYR A 94 3.077 -8.040 2.774 1.00 0.00 H new ATOM 0 HA TYR A 94 1.158 -7.514 4.899 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.010 -6.166 2.306 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.577 -5.626 3.158 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.889 -6.741 4.627 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.195 -3.477 4.023 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.235 -5.343 6.121 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.564 -2.085 5.502 1.00 0.00 H new ATOM 0 HH TYR A 94 5.597 -3.281 6.900 1.00 0.00 H new ATOM 1485 N ALA A 95 0.181 -9.259 2.422 1.00 0.00 N ATOM 1486 CA ALA A 95 -0.956 -10.126 2.019 1.00 0.00 C ATOM 1487 C ALA A 95 -1.404 -11.078 3.169 1.00 0.00 C ATOM 1488 O ALA A 95 -2.336 -11.873 2.995 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.585 -10.919 0.753 1.00 0.00 C ATOM 0 H ALA A 95 1.077 -9.541 2.024 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.808 -9.483 1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.423 -11.553 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.356 -10.226 -0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.287 -11.541 0.956 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.712 -10.997 4.325 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.085 -11.698 5.577 1.00 0.00 C ATOM 1497 C GLN A 96 -0.510 -10.913 6.787 1.00 0.00 C ATOM 1498 O GLN A 96 0.225 -11.474 7.604 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.585 -13.183 5.545 1.00 0.00 C ATOM 1500 CG GLN A 96 0.926 -13.362 5.252 1.00 0.00 C ATOM 1501 CD GLN A 96 1.389 -14.815 5.353 1.00 0.00 C ATOM 1502 OE1 GLN A 96 1.814 -15.279 6.411 1.00 0.00 O ATOM 1503 NE2 GLN A 96 1.279 -15.548 4.263 1.00 0.00 N ATOM 0 H GLN A 96 0.134 -10.435 4.419 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.170 -11.734 5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.810 -13.647 6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.153 -13.725 4.788 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.143 -12.987 4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.500 -12.755 5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.923 -15.132 3.402 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.550 -16.531 4.280 1.00 0.00 H new ATOM 1512 N PRO A 97 -0.877 -9.591 6.951 1.00 0.00 N ATOM 1513 CA PRO A 97 -0.150 -8.672 7.846 1.00 0.00 C ATOM 1514 C PRO A 97 -0.442 -8.906 9.350 1.00 0.00 C ATOM 1515 O PRO A 97 0.470 -9.318 10.094 1.00 0.00 O ATOM 1516 CB PRO A 97 -0.602 -7.270 7.362 1.00 0.00 C ATOM 1517 CG PRO A 97 -1.992 -7.481 6.830 1.00 0.00 C ATOM 1518 CD PRO A 97 -2.054 -8.922 6.328 1.00 0.00 C ATOM 0 HA PRO A 97 0.929 -8.816 7.789 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.596 -6.548 8.179 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.063 -6.884 6.590 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.735 -7.310 7.609 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.209 -6.780 6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.986 -9.404 6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.004 -8.965 5.240 1.00 0.00 H new ATOM 1526 N ASN A 98 -1.711 -8.649 9.787 1.00 0.00 N ATOM 1527 CA ASN A 98 -2.116 -8.626 11.215 1.00 0.00 C ATOM 1528 C ASN A 98 -1.250 -7.575 11.956 1.00 0.00 C ATOM 1529 O ASN A 98 -0.891 -7.741 13.115 1.00 0.00 O ATOM 1530 CB ASN A 98 -2.019 -10.061 11.839 1.00 0.00 C ATOM 1531 CG ASN A 98 -2.788 -10.224 13.160 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -3.957 -10.594 13.162 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -2.146 -9.957 14.288 1.00 0.00 N ATOM 0 H ASN A 98 -2.482 -8.452 9.149 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.160 -8.330 11.316 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.398 -10.785 11.118 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.970 -10.301 12.010 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -2.624 -10.058 15.183 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.173 -9.651 14.261 1.00 0.00 H new ATOM 1540 N GLN A 99 -1.005 -6.439 11.262 1.00 0.00 N ATOM 1541 CA GLN A 99 0.073 -5.481 11.588 1.00 0.00 C ATOM 1542 C GLN A 99 0.025 -4.279 10.627 1.00 0.00 C ATOM 1543 O GLN A 99 0.651 -4.314 9.555 1.00 0.00 O ATOM 1544 CB GLN A 99 1.506 -6.148 11.520 1.00 0.00 C ATOM 1545 CG GLN A 99 2.054 -6.677 12.856 1.00 0.00 C ATOM 1546 CD GLN A 99 3.441 -7.282 12.707 1.00 0.00 C ATOM 1547 OE1 GLN A 99 3.593 -8.481 12.518 1.00 0.00 O ATOM 1548 NE2 GLN A 99 4.462 -6.442 12.716 1.00 0.00 N ATOM 0 H GLN A 99 -1.558 -6.160 10.451 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.095 -5.148 12.612 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.470 -6.974 10.810 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.210 -5.416 11.123 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.090 -5.863 13.580 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.372 -7.428 13.255 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.303 -5.447 12.876 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.409 -6.789 12.563 1.00 0.00 H new ATOM 1557 N GLY A 100 -0.785 -3.255 10.951 1.00 0.00 N ATOM 1558 CA GLY A 100 -0.620 -1.919 10.351 1.00 0.00 C ATOM 1559 C GLY A 100 -1.663 -1.618 9.279 1.00 0.00 C ATOM 1560 O GLY A 100 -2.061 -0.462 9.100 1.00 0.00 O ATOM 0 H GLY A 100 -1.553 -3.325 11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.683 -1.164 11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.376 -1.843 9.914 1.00 0.00 H new ATOM 1564 N LEU A 101 -2.104 -2.662 8.556 1.00 0.00 N ATOM 1565 CA LEU A 101 -3.097 -2.520 7.480 1.00 0.00 C ATOM 1566 C LEU A 101 -4.516 -2.620 8.047 1.00 0.00 C ATOM 1567 O LEU A 101 -4.858 -3.600 8.717 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.886 -3.571 6.366 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.536 -3.491 5.586 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.529 -4.483 4.413 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -1.223 -2.055 5.107 1.00 0.00 C ATOM 0 H LEU A 101 -1.785 -3.620 8.700 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.962 -1.535 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.965 -4.563 6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.702 -3.478 5.649 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.742 -3.771 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.580 -4.412 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.657 -5.497 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.345 -4.245 3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.275 -2.049 4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.017 -1.711 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.156 -1.391 5.968 1.00 0.00 H new ATOM 1583 N VAL A 102 -5.295 -1.569 7.770 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.706 -1.424 8.147 1.00 0.00 C ATOM 1585 C VAL A 102 -7.588 -2.650 7.745 1.00 0.00 C ATOM 1586 O VAL A 102 -8.540 -2.988 8.459 1.00 0.00 O ATOM 1587 CB VAL A 102 -7.274 -0.094 7.515 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -7.182 -0.098 5.954 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -8.708 0.206 8.012 1.00 0.00 C ATOM 0 H VAL A 102 -4.945 -0.761 7.255 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.750 -1.376 9.235 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.638 0.721 7.861 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.584 0.837 5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.140 -0.199 5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.758 -0.934 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.066 1.129 7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.368 -0.616 7.735 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.702 0.316 9.096 1.00 0.00 H new ATOM 1599 N CYS A 103 -7.255 -3.313 6.615 1.00 0.00 N ATOM 1600 CA CYS A 103 -8.064 -4.429 6.065 1.00 0.00 C ATOM 1601 C CYS A 103 -7.217 -5.403 5.225 1.00 0.00 C ATOM 1602 O CYS A 103 -7.782 -6.199 4.451 1.00 0.00 O ATOM 1603 CB CYS A 103 -9.183 -3.831 5.195 1.00 0.00 C ATOM 1604 SG CYS A 103 -8.548 -2.821 3.852 1.00 0.00 S ATOM 0 H CYS A 103 -6.427 -3.094 6.062 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.477 -5.000 6.897 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.788 -4.638 4.783 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.840 -3.227 5.820 1.00 0.00 H new ATOM 0 HG CYS A 103 -9.526 -2.163 3.304 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.869 -5.323 5.376 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.907 -6.202 4.662 1.00 0.00 C ATOM 1612 C ALA A 104 -4.915 -5.908 3.136 1.00 0.00 C ATOM 1613 O ALA A 104 -5.352 -4.831 2.721 1.00 0.00 O ATOM 1614 CB ALA A 104 -5.190 -7.690 4.979 1.00 0.00 C ATOM 0 H ALA A 104 -5.420 -4.648 5.995 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.901 -5.984 5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.475 -8.318 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.093 -7.858 6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.202 -7.943 4.662 1.00 0.00 H new ATOM 1620 N LEU A 105 -4.428 -6.851 2.312 1.00 0.00 N ATOM 1621 CA LEU A 105 -4.430 -6.724 0.837 1.00 0.00 C ATOM 1622 C LEU A 105 -5.436 -7.747 0.286 1.00 0.00 C ATOM 1623 O LEU A 105 -5.707 -8.756 0.946 1.00 0.00 O ATOM 1624 CB LEU A 105 -3.006 -6.981 0.250 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.852 -6.074 0.788 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -0.535 -6.341 0.038 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.222 -4.578 0.757 1.00 0.00 C ATOM 0 H LEU A 105 -4.021 -7.725 2.646 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.716 -5.713 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.741 -8.020 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.057 -6.861 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.702 -6.340 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.248 -5.695 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.246 -7.384 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.672 -6.134 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.389 -3.989 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.437 -4.278 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.102 -4.408 1.377 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.965 -7.514 -0.929 1.00 0.00 N ATOM 1640 CA LEU A 106 -7.008 -8.376 -1.517 1.00 0.00 C ATOM 1641 C LEU A 106 -7.157 -8.113 -3.020 1.00 0.00 C ATOM 1642 O LEU A 106 -6.897 -8.998 -3.840 1.00 0.00 O ATOM 1643 CB LEU A 106 -8.386 -8.179 -0.814 1.00 0.00 C ATOM 1644 CG LEU A 106 -9.551 -9.090 -1.327 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -9.257 -10.585 -1.075 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -10.898 -8.669 -0.710 1.00 0.00 C ATOM 0 H LEU A 106 -5.687 -6.734 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.688 -9.407 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.256 -8.355 0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.686 -7.138 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.624 -8.954 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.088 -11.186 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.343 -10.869 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.132 -10.756 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.689 -9.319 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.843 -8.753 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.117 -7.637 -0.984 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.560 -6.887 -3.370 1.00 0.00 N ATOM 1659 CA LEU A 107 -8.003 -6.553 -4.731 1.00 0.00 C ATOM 1660 C LEU A 107 -6.990 -5.609 -5.413 1.00 0.00 C ATOM 1661 O LEU A 107 -6.934 -4.427 -5.083 1.00 0.00 O ATOM 1662 CB LEU A 107 -9.419 -5.911 -4.685 1.00 0.00 C ATOM 1663 CG LEU A 107 -10.121 -5.728 -6.068 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -10.354 -7.094 -6.751 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -11.435 -4.932 -5.930 1.00 0.00 C ATOM 0 H LEU A 107 -7.589 -6.100 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.057 -7.468 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.058 -6.527 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.341 -4.935 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.457 -5.146 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -10.844 -6.941 -7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.396 -7.591 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.986 -7.715 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.899 -4.822 -6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -12.115 -5.464 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.221 -3.946 -5.517 1.00 0.00 H new ATOM 1677 N PRO A 108 -6.125 -6.136 -6.336 1.00 0.00 N ATOM 1678 CA PRO A 108 -5.279 -5.293 -7.206 1.00 0.00 C ATOM 1679 C PRO A 108 -6.159 -4.617 -8.276 1.00 0.00 C ATOM 1680 O PRO A 108 -6.554 -5.261 -9.255 1.00 0.00 O ATOM 1681 CB PRO A 108 -4.263 -6.303 -7.825 1.00 0.00 C ATOM 1682 CG PRO A 108 -4.440 -7.574 -7.042 1.00 0.00 C ATOM 1683 CD PRO A 108 -5.880 -7.575 -6.596 1.00 0.00 C ATOM 0 HA PRO A 108 -4.768 -4.484 -6.685 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.463 -6.463 -8.885 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.241 -5.931 -7.746 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.219 -8.447 -7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.764 -7.606 -6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.545 -7.969 -7.365 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.030 -8.182 -5.703 1.00 0.00 H new ATOM 1691 N VAL A 109 -6.495 -3.336 -8.069 1.00 0.00 N ATOM 1692 CA VAL A 109 -7.473 -2.617 -8.902 1.00 0.00 C ATOM 1693 C VAL A 109 -6.746 -1.971 -10.101 1.00 0.00 C ATOM 1694 O VAL A 109 -5.938 -1.049 -9.883 1.00 0.00 O ATOM 1695 CB VAL A 109 -8.232 -1.527 -8.046 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -9.224 -0.699 -8.899 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -8.963 -2.184 -6.853 1.00 0.00 C ATOM 1698 OXT VAL A 109 -6.957 -2.411 -11.250 1.00 0.00 O ATOM 0 H VAL A 109 -6.098 -2.768 -7.320 1.00 0.00 H new ATOM 0 HA VAL A 109 -8.216 -3.320 -9.278 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.479 -0.837 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.721 0.037 -8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.681 -0.187 -9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -9.969 -1.363 -9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -9.480 -1.417 -6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -9.688 -2.908 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -8.238 -2.691 -6.216 1.00 0.00 H new TER 1708 VAL A 109