USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 676 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 46 SER OG : rot 140:sc= 0.102 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.431 K(o=-0.33,f=-4.3!) USER MOD Set 2.1: A 33 ASN : amide:sc= 0.487 K(o=0.82,f=-6.5!) USER MOD Set 2.2: A 36 THR OG1 : rot 42:sc= 0.337 USER MOD Single : A 1 GLN : amide:sc= -0.719 K(o=-0.72,f=-2.5!) USER MOD Single : A 1 GLN N :NH3+ 156:sc= -0.288 (180deg=-0.855) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0304) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 72:sc= 0.42 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.124 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 82:sc= 0.0857 USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.411) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 63:sc= -1.71! USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 40:sc= -0.185 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 85:sc= 1.22 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.235 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.113 -0.081 0.013 1.00 0.00 N ATOM 2 CA GLN A 1 1.867 0.108 -1.221 1.00 0.00 C ATOM 3 C GLN A 1 0.991 -0.158 -2.440 1.00 0.00 C ATOM 4 O GLN A 1 1.473 -0.622 -3.474 1.00 0.00 O ATOM 5 CB GLN A 1 3.088 -0.813 -1.244 1.00 0.00 C ATOM 6 CG GLN A 1 2.739 -2.289 -1.132 1.00 0.00 C ATOM 7 CD GLN A 1 2.593 -2.746 0.306 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.116 -2.116 1.226 1.00 0.00 O ATOM 9 NE2 GLN A 1 1.879 -3.847 0.509 1.00 0.00 N ATOM 0 H1 GLN A 1 1.769 -0.298 0.791 1.00 0.00 H new ATOM 0 H2 GLN A 1 0.588 0.789 0.236 1.00 0.00 H new ATOM 0 H3 GLN A 1 0.444 -0.868 -0.106 1.00 0.00 H new ATOM 0 HA GLN A 1 2.203 1.144 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 1 3.640 -0.648 -2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.753 -0.542 -0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.808 -2.480 -1.666 1.00 0.00 H new ATOM 0 HG3 GLN A 1 3.514 -2.880 -1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 1 1.463 -4.338 -0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 1 1.746 -4.201 1.456 1.00 0.00 H new ATOM 18 N ARG A 2 -0.298 0.139 -2.312 1.00 0.00 N ATOM 19 CA ARG A 2 -1.242 -0.070 -3.404 1.00 0.00 C ATOM 20 C ARG A 2 -0.779 0.649 -4.668 1.00 0.00 C ATOM 21 O ARG A 2 -0.859 0.103 -5.768 1.00 0.00 O ATOM 22 CB ARG A 2 -2.634 0.424 -3.004 1.00 0.00 C ATOM 23 CG ARG A 2 -2.659 1.875 -2.552 1.00 0.00 C ATOM 24 CD ARG A 2 -3.851 2.157 -1.651 1.00 0.00 C ATOM 25 NE ARG A 2 -3.835 3.523 -1.134 1.00 0.00 N ATOM 26 CZ ARG A 2 -2.985 3.948 -0.206 1.00 0.00 C ATOM 27 NH1 ARG A 2 -2.086 3.118 0.304 1.00 0.00 N ATOM 28 NH2 ARG A 2 -3.032 5.206 0.213 1.00 0.00 N ATOM 0 H ARG A 2 -0.713 0.525 -1.464 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.289 -1.139 -3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.310 0.304 -3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.016 -0.205 -2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.736 2.108 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.698 2.528 -3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.773 1.991 -2.207 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.850 1.454 -0.818 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.514 4.187 -1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.046 2.150 -0.016 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.434 3.447 1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.722 5.848 -0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.379 5.531 0.926 1.00 0.00 H new ATOM 42 N GLU A 3 -0.297 1.877 -4.501 1.00 0.00 N ATOM 43 CA GLU A 3 0.177 2.670 -5.629 1.00 0.00 C ATOM 44 C GLU A 3 1.242 1.913 -6.418 1.00 0.00 C ATOM 45 O GLU A 3 1.332 2.041 -7.638 1.00 0.00 O ATOM 46 CB GLU A 3 0.742 4.005 -5.141 1.00 0.00 C ATOM 47 CG GLU A 3 -0.323 4.977 -4.661 1.00 0.00 C ATOM 48 CD GLU A 3 0.260 6.151 -3.898 1.00 0.00 C ATOM 49 OE1 GLU A 3 1.243 6.747 -4.385 1.00 0.00 O ATOM 50 OE2 GLU A 3 -0.268 6.474 -2.813 1.00 0.00 O ATOM 0 H GLU A 3 -0.225 2.343 -3.597 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.671 2.861 -6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.444 3.818 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.307 4.468 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.884 5.348 -5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.031 4.449 -4.022 1.00 0.00 H new ATOM 57 N GLU A 4 2.045 1.124 -5.710 1.00 0.00 N ATOM 58 CA GLU A 4 3.104 0.348 -6.344 1.00 0.00 C ATOM 59 C GLU A 4 2.521 -0.700 -7.287 1.00 0.00 C ATOM 60 O GLU A 4 2.974 -0.850 -8.421 1.00 0.00 O ATOM 61 CB GLU A 4 3.973 -0.332 -5.283 1.00 0.00 C ATOM 62 CG GLU A 4 4.534 0.630 -4.249 1.00 0.00 C ATOM 63 CD GLU A 4 5.273 1.796 -4.876 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.147 1.551 -5.734 1.00 0.00 O ATOM 65 OE2 GLU A 4 4.977 2.952 -4.510 1.00 0.00 O ATOM 0 H GLU A 4 1.982 1.006 -4.699 1.00 0.00 H new ATOM 0 HA GLU A 4 3.722 1.032 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.382 -1.094 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.799 -0.845 -5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.719 1.010 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.210 0.091 -3.586 1.00 0.00 H new ATOM 72 N MET A 5 1.513 -1.423 -6.809 1.00 0.00 N ATOM 73 CA MET A 5 0.867 -2.457 -7.609 1.00 0.00 C ATOM 74 C MET A 5 0.164 -1.848 -8.818 1.00 0.00 C ATOM 75 O MET A 5 0.259 -2.367 -9.930 1.00 0.00 O ATOM 76 CB MET A 5 -0.137 -3.237 -6.759 1.00 0.00 C ATOM 77 CG MET A 5 0.481 -4.402 -6.003 1.00 0.00 C ATOM 78 SD MET A 5 1.434 -3.871 -4.567 1.00 0.00 S ATOM 79 CE MET A 5 3.102 -4.206 -5.124 1.00 0.00 C ATOM 0 H MET A 5 1.126 -1.312 -5.872 1.00 0.00 H new ATOM 0 HA MET A 5 1.638 -3.141 -7.965 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.602 -2.557 -6.045 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.931 -3.613 -7.404 1.00 0.00 H new ATOM 0 HG2 MET A 5 -0.309 -5.080 -5.680 1.00 0.00 H new ATOM 0 HG3 MET A 5 1.128 -4.964 -6.676 1.00 0.00 H new ATOM 0 HE1 MET A 5 3.809 -3.929 -4.342 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.205 -5.268 -5.347 1.00 0.00 H new ATOM 0 HE3 MET A 5 3.309 -3.625 -6.023 1.00 0.00 H new ATOM 89 N VAL A 6 -0.544 -0.746 -8.592 1.00 0.00 N ATOM 90 CA VAL A 6 -1.263 -0.066 -9.663 1.00 0.00 C ATOM 91 C VAL A 6 -0.300 0.484 -10.709 1.00 0.00 C ATOM 92 O VAL A 6 -0.541 0.373 -11.911 1.00 0.00 O ATOM 93 CB VAL A 6 -2.124 1.088 -9.117 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.850 1.796 -10.251 1.00 0.00 C ATOM 95 CG2 VAL A 6 -3.112 0.571 -8.081 1.00 0.00 C ATOM 0 H VAL A 6 -0.635 -0.305 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.914 -0.807 -10.127 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.467 1.810 -8.632 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.453 2.608 -9.846 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.121 2.201 -10.953 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.497 1.087 -10.768 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.712 1.400 -7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.765 -0.172 -8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.567 0.114 -7.255 1.00 0.00 H new ATOM 105 N LYS A 7 0.794 1.078 -10.243 1.00 0.00 N ATOM 106 CA LYS A 7 1.796 1.646 -11.137 1.00 0.00 C ATOM 107 C LYS A 7 2.449 0.557 -11.983 1.00 0.00 C ATOM 108 O LYS A 7 2.618 0.714 -13.193 1.00 0.00 O ATOM 109 CB LYS A 7 2.864 2.390 -10.332 1.00 0.00 C ATOM 110 CG LYS A 7 2.465 3.807 -9.958 1.00 0.00 C ATOM 111 CD LYS A 7 3.648 4.596 -9.421 1.00 0.00 C ATOM 112 CE LYS A 7 3.329 6.080 -9.321 1.00 0.00 C ATOM 113 NZ LYS A 7 2.172 6.339 -8.420 1.00 0.00 N ATOM 0 H LYS A 7 1.009 1.178 -9.251 1.00 0.00 H new ATOM 0 HA LYS A 7 1.296 2.349 -11.803 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.078 1.829 -9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.787 2.422 -10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.055 4.313 -10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.675 3.778 -9.207 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.925 4.215 -8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.509 4.451 -10.073 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.204 6.615 -8.952 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.111 6.472 -10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.071 7.363 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.304 5.965 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.332 5.870 -7.506 1.00 0.00 H new ATOM 127 N LYS A 8 2.813 -0.547 -11.340 1.00 0.00 N ATOM 128 CA LYS A 8 3.445 -1.663 -12.033 1.00 0.00 C ATOM 129 C LYS A 8 2.512 -2.246 -13.089 1.00 0.00 C ATOM 130 O LYS A 8 2.918 -2.479 -14.229 1.00 0.00 O ATOM 131 CB LYS A 8 3.844 -2.751 -11.033 1.00 0.00 C ATOM 132 CG LYS A 8 5.086 -3.526 -11.439 1.00 0.00 C ATOM 133 CD LYS A 8 4.749 -4.657 -12.396 1.00 0.00 C ATOM 134 CE LYS A 8 5.995 -5.195 -13.083 1.00 0.00 C ATOM 135 NZ LYS A 8 6.331 -4.418 -14.309 1.00 0.00 N ATOM 0 H LYS A 8 2.681 -0.693 -10.339 1.00 0.00 H new ATOM 0 HA LYS A 8 4.340 -1.289 -12.531 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.015 -2.292 -10.059 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.014 -3.447 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.800 -2.850 -11.910 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.569 -3.932 -10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.256 -5.462 -11.851 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.043 -4.302 -13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.835 -5.161 -12.390 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.841 -6.241 -13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.186 -4.815 -14.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.539 -4.471 -14.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.503 -3.424 -14.054 1.00 0.00 H new ATOM 149 N CYS A 9 1.262 -2.478 -12.705 1.00 0.00 N ATOM 150 CA CYS A 9 0.271 -3.034 -13.620 1.00 0.00 C ATOM 151 C CYS A 9 0.077 -2.123 -14.828 1.00 0.00 C ATOM 152 O CYS A 9 0.137 -2.573 -15.974 1.00 0.00 O ATOM 153 CB CYS A 9 -1.062 -3.236 -12.899 1.00 0.00 C ATOM 154 SG CYS A 9 -2.245 -4.258 -13.808 1.00 0.00 S ATOM 0 H CYS A 9 0.910 -2.290 -11.766 1.00 0.00 H new ATOM 0 HA CYS A 9 0.636 -4.000 -13.970 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.872 -3.695 -11.929 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.511 -2.261 -12.708 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.340 -4.373 -13.117 1.00 0.00 H new ATOM 160 N LEU A 10 -0.157 -0.843 -14.566 1.00 0.00 N ATOM 161 CA LEU A 10 -0.363 0.132 -15.632 1.00 0.00 C ATOM 162 C LEU A 10 0.843 0.181 -16.564 1.00 0.00 C ATOM 163 O LEU A 10 0.696 0.291 -17.781 1.00 0.00 O ATOM 164 CB LEU A 10 -0.620 1.518 -15.040 1.00 0.00 C ATOM 165 CG LEU A 10 -2.023 1.759 -14.480 1.00 0.00 C ATOM 166 CD1 LEU A 10 -2.133 3.161 -13.902 1.00 0.00 C ATOM 167 CD2 LEU A 10 -3.073 1.541 -15.560 1.00 0.00 C ATOM 0 H LEU A 10 -0.209 -0.455 -13.624 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.234 -0.177 -16.210 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.102 1.690 -14.242 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.426 2.263 -15.812 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.202 1.043 -13.678 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.138 3.314 -13.508 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.406 3.281 -13.099 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.934 3.894 -14.684 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.065 1.717 -15.144 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.897 2.233 -16.383 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.010 0.517 -15.927 1.00 0.00 H new ATOM 179 N GLY A 11 2.037 0.096 -15.985 1.00 0.00 N ATOM 180 CA GLY A 11 3.251 0.131 -16.779 1.00 0.00 C ATOM 181 C GLY A 11 3.369 -1.059 -17.711 1.00 0.00 C ATOM 182 O GLY A 11 3.712 -0.906 -18.882 1.00 0.00 O ATOM 0 H GLY A 11 2.185 0.004 -14.980 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.272 1.050 -17.364 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.115 0.156 -16.115 1.00 0.00 H new ATOM 186 N GLU A 12 3.084 -2.248 -17.189 1.00 0.00 N ATOM 187 CA GLU A 12 3.163 -3.469 -17.983 1.00 0.00 C ATOM 188 C GLU A 12 2.001 -3.552 -18.969 1.00 0.00 C ATOM 189 O GLU A 12 2.110 -4.179 -20.023 1.00 0.00 O ATOM 190 CB GLU A 12 3.161 -4.698 -17.071 1.00 0.00 C ATOM 191 CG GLU A 12 1.774 -5.265 -16.817 1.00 0.00 C ATOM 192 CD GLU A 12 1.343 -6.251 -17.886 1.00 0.00 C ATOM 193 OE1 GLU A 12 2.003 -7.301 -18.027 1.00 0.00 O ATOM 194 OE2 GLU A 12 0.344 -5.970 -18.582 1.00 0.00 O ATOM 0 H GLU A 12 2.797 -2.392 -16.221 1.00 0.00 H new ATOM 0 HA GLU A 12 4.095 -3.446 -18.547 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.785 -5.472 -17.517 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.616 -4.433 -16.117 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.760 -5.759 -15.845 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.054 -4.448 -16.770 1.00 0.00 H new ATOM 201 N LEU A 13 0.889 -2.916 -18.618 1.00 0.00 N ATOM 202 CA LEU A 13 -0.295 -2.917 -19.471 1.00 0.00 C ATOM 203 C LEU A 13 -0.062 -2.084 -20.727 1.00 0.00 C ATOM 204 O LEU A 13 -0.377 -2.512 -21.838 1.00 0.00 O ATOM 205 CB LEU A 13 -1.502 -2.376 -18.703 1.00 0.00 C ATOM 206 CG LEU A 13 -2.869 -2.900 -19.145 1.00 0.00 C ATOM 207 CD1 LEU A 13 -2.920 -4.416 -19.036 1.00 0.00 C ATOM 208 CD2 LEU A 13 -3.977 -2.266 -18.317 1.00 0.00 C ATOM 0 H LEU A 13 0.782 -2.393 -17.749 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.495 -3.946 -19.771 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.370 -2.610 -17.647 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.506 -1.290 -18.791 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.021 -2.626 -20.189 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.900 -4.771 -19.355 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.151 -4.853 -19.673 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.745 -4.712 -18.002 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.942 -2.651 -18.646 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.829 -2.508 -17.265 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.954 -1.184 -18.447 1.00 0.00 H new ATOM 220 N THR A 14 0.495 -0.890 -20.544 1.00 0.00 N ATOM 221 CA THR A 14 0.771 0.003 -21.662 1.00 0.00 C ATOM 222 C THR A 14 1.703 -0.654 -22.674 1.00 0.00 C ATOM 223 O THR A 14 1.518 -0.516 -23.882 1.00 0.00 O ATOM 224 CB THR A 14 1.402 1.324 -21.183 1.00 0.00 C ATOM 225 OG1 THR A 14 0.520 1.984 -20.268 1.00 0.00 O ATOM 226 CG2 THR A 14 1.698 2.241 -22.360 1.00 0.00 C ATOM 0 H THR A 14 0.763 -0.520 -19.632 1.00 0.00 H new ATOM 0 HA THR A 14 -0.186 0.217 -22.139 1.00 0.00 H new ATOM 0 HB THR A 14 2.340 1.091 -20.680 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.509 1.499 -19.417 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.143 3.167 -21.997 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.392 1.747 -23.040 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.771 2.466 -22.888 1.00 0.00 H new ATOM 234 N GLU A 15 2.705 -1.369 -22.171 1.00 0.00 N ATOM 235 CA GLU A 15 3.666 -2.048 -23.033 1.00 0.00 C ATOM 236 C GLU A 15 3.008 -3.209 -23.773 1.00 0.00 C ATOM 237 O GLU A 15 3.144 -3.342 -24.989 1.00 0.00 O ATOM 238 CB GLU A 15 4.851 -2.559 -22.210 1.00 0.00 C ATOM 239 CG GLU A 15 5.586 -1.463 -21.458 1.00 0.00 C ATOM 240 CD GLU A 15 6.616 -0.755 -22.317 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.594 -1.411 -22.733 1.00 0.00 O ATOM 242 OE2 GLU A 15 6.444 0.455 -22.573 1.00 0.00 O ATOM 0 H GLU A 15 2.872 -1.493 -21.172 1.00 0.00 H new ATOM 0 HA GLU A 15 4.027 -1.329 -23.769 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.494 -3.301 -21.496 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.552 -3.066 -22.873 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.864 -0.735 -21.088 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.079 -1.894 -20.587 1.00 0.00 H new ATOM 249 N VAL A 16 2.295 -4.049 -23.029 1.00 0.00 N ATOM 250 CA VAL A 16 1.615 -5.199 -23.613 1.00 0.00 C ATOM 251 C VAL A 16 0.566 -4.761 -24.628 1.00 0.00 C ATOM 252 O VAL A 16 0.430 -5.362 -25.694 1.00 0.00 O ATOM 253 CB VAL A 16 0.938 -6.060 -22.530 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.134 -7.184 -23.166 1.00 0.00 C ATOM 255 CG2 VAL A 16 1.974 -6.615 -21.565 1.00 0.00 C ATOM 0 H VAL A 16 2.173 -3.955 -22.021 1.00 0.00 H new ATOM 0 HA VAL A 16 2.377 -5.794 -24.117 1.00 0.00 H new ATOM 0 HB VAL A 16 0.252 -5.429 -21.966 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.337 -7.781 -22.385 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.635 -6.761 -23.812 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.797 -7.816 -23.757 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.477 -7.221 -20.807 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.687 -7.231 -22.112 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.501 -5.791 -21.083 1.00 0.00 H new ATOM 265 N CYS A 17 -0.172 -3.709 -24.291 1.00 0.00 N ATOM 266 CA CYS A 17 -1.210 -3.189 -25.173 1.00 0.00 C ATOM 267 C CYS A 17 -0.600 -2.574 -26.428 1.00 0.00 C ATOM 268 O CYS A 17 -1.107 -2.759 -27.534 1.00 0.00 O ATOM 269 CB CYS A 17 -2.057 -2.148 -24.440 1.00 0.00 C ATOM 270 SG CYS A 17 -3.151 -2.841 -23.178 1.00 0.00 S ATOM 0 H CYS A 17 -0.071 -3.200 -23.413 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.848 -4.021 -25.472 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.394 -1.421 -23.971 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.659 -1.606 -25.170 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.824 -1.883 -22.613 1.00 0.00 H new ATOM 276 N LYS A 18 0.493 -1.839 -26.248 1.00 0.00 N ATOM 277 CA LYS A 18 1.174 -1.194 -27.365 1.00 0.00 C ATOM 278 C LYS A 18 1.723 -2.232 -28.339 1.00 0.00 C ATOM 279 O LYS A 18 1.540 -2.118 -29.551 1.00 0.00 O ATOM 280 CB LYS A 18 2.311 -0.308 -26.852 1.00 0.00 C ATOM 281 CG LYS A 18 1.882 1.118 -26.551 1.00 0.00 C ATOM 282 CD LYS A 18 3.047 2.087 -26.668 1.00 0.00 C ATOM 283 CE LYS A 18 4.044 1.900 -25.535 1.00 0.00 C ATOM 284 NZ LYS A 18 4.842 3.133 -25.289 1.00 0.00 N ATOM 0 H LYS A 18 0.926 -1.675 -25.339 1.00 0.00 H new ATOM 0 HA LYS A 18 0.449 -0.574 -27.892 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.727 -0.752 -25.948 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.109 -0.290 -27.594 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.091 1.414 -27.240 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.465 1.169 -25.545 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.549 1.940 -27.624 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.672 3.111 -26.659 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.512 1.624 -24.625 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.715 1.075 -25.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.510 2.965 -24.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.370 3.382 -26.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.204 3.914 -25.036 1.00 0.00 H new ATOM 298 N SER A 19 2.397 -3.243 -27.801 1.00 0.00 N ATOM 299 CA SER A 19 2.975 -4.300 -28.623 1.00 0.00 C ATOM 300 C SER A 19 1.883 -5.102 -29.324 1.00 0.00 C ATOM 301 O SER A 19 1.970 -5.376 -30.522 1.00 0.00 O ATOM 302 CB SER A 19 3.835 -5.230 -27.765 1.00 0.00 C ATOM 303 OG SER A 19 4.960 -4.546 -27.241 1.00 0.00 O ATOM 0 H SER A 19 2.556 -3.353 -26.800 1.00 0.00 H new ATOM 0 HA SER A 19 3.603 -3.833 -29.382 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.237 -5.632 -26.947 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.168 -6.078 -28.364 1.00 0.00 H new ATOM 0 HG SER A 19 4.694 -4.041 -26.445 1.00 0.00 H new ATOM 309 N LEU A 20 0.855 -5.475 -28.570 1.00 0.00 N ATOM 310 CA LEU A 20 -0.256 -6.245 -29.118 1.00 0.00 C ATOM 311 C LEU A 20 -1.003 -5.444 -30.179 1.00 0.00 C ATOM 312 O LEU A 20 -1.341 -5.965 -31.241 1.00 0.00 O ATOM 313 CB LEU A 20 -1.218 -6.655 -28.001 1.00 0.00 C ATOM 314 CG LEU A 20 -0.859 -7.933 -27.242 1.00 0.00 C ATOM 315 CD1 LEU A 20 -1.812 -8.148 -26.077 1.00 0.00 C ATOM 316 CD2 LEU A 20 -0.879 -9.133 -28.178 1.00 0.00 C ATOM 0 H LEU A 20 0.768 -5.257 -27.577 1.00 0.00 H new ATOM 0 HA LEU A 20 0.151 -7.141 -29.586 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.281 -5.836 -27.284 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.212 -6.779 -28.432 1.00 0.00 H new ATOM 0 HG LEU A 20 0.150 -7.824 -26.844 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.541 -9.062 -25.549 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.748 -7.301 -25.393 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.832 -8.235 -26.452 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.621 -10.034 -27.621 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.875 -9.244 -28.606 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.155 -8.982 -28.979 1.00 0.00 H new ATOM 328 N GLY A 21 -1.257 -4.173 -29.885 1.00 0.00 N ATOM 329 CA GLY A 21 -1.960 -3.319 -30.824 1.00 0.00 C ATOM 330 C GLY A 21 -1.118 -2.974 -32.037 1.00 0.00 C ATOM 331 O GLY A 21 -1.649 -2.716 -33.117 1.00 0.00 O ATOM 0 H GLY A 21 -0.988 -3.719 -29.012 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.874 -3.817 -31.149 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.260 -2.400 -30.320 1.00 0.00 H new ATOM 335 N LYS A 22 0.198 -2.968 -31.858 1.00 0.00 N ATOM 336 CA LYS A 22 1.117 -2.651 -32.946 1.00 0.00 C ATOM 337 C LYS A 22 1.189 -3.799 -33.948 1.00 0.00 C ATOM 338 O LYS A 22 1.113 -3.585 -35.158 1.00 0.00 O ATOM 339 CB LYS A 22 2.512 -2.355 -32.392 1.00 0.00 C ATOM 340 CG LYS A 22 2.703 -0.910 -31.964 1.00 0.00 C ATOM 341 CD LYS A 22 3.992 -0.726 -31.181 1.00 0.00 C ATOM 342 CE LYS A 22 4.434 0.730 -31.169 1.00 0.00 C ATOM 343 NZ LYS A 22 3.479 1.593 -30.421 1.00 0.00 N ATOM 0 H LYS A 22 0.653 -3.179 -30.970 1.00 0.00 H new ATOM 0 HA LYS A 22 0.742 -1.766 -33.460 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.700 -3.006 -31.538 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.255 -2.602 -33.151 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.716 -0.268 -32.844 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.857 -0.596 -31.353 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.850 -1.073 -30.157 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.777 -1.342 -31.620 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.423 0.806 -30.717 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.524 1.091 -32.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.959 2.468 -30.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.672 1.829 -31.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.138 1.086 -29.580 1.00 0.00 H new ATOM 357 N VAL A 23 1.335 -5.017 -33.437 1.00 0.00 N ATOM 358 CA VAL A 23 1.415 -6.198 -34.287 1.00 0.00 C ATOM 359 C VAL A 23 0.078 -6.479 -34.965 1.00 0.00 C ATOM 360 O VAL A 23 0.030 -6.853 -36.137 1.00 0.00 O ATOM 361 CB VAL A 23 1.841 -7.441 -33.483 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.253 -7.270 -32.945 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.859 -7.706 -32.353 1.00 0.00 C ATOM 0 H VAL A 23 1.400 -5.212 -32.438 1.00 0.00 H new ATOM 0 HA VAL A 23 2.168 -5.990 -35.047 1.00 0.00 H new ATOM 0 HB VAL A 23 1.834 -8.304 -34.149 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.537 -8.158 -32.380 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.945 -7.132 -33.776 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.291 -6.397 -32.293 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.175 -8.588 -31.795 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.832 -6.845 -31.685 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.135 -7.876 -32.767 1.00 0.00 H new ATOM 373 N PHE A 24 -1.007 -6.295 -34.220 1.00 0.00 N ATOM 374 CA PHE A 24 -2.346 -6.529 -34.748 1.00 0.00 C ATOM 375 C PHE A 24 -2.694 -5.502 -35.822 1.00 0.00 C ATOM 376 O PHE A 24 -3.624 -5.695 -36.604 1.00 0.00 O ATOM 377 CB PHE A 24 -3.379 -6.474 -33.621 1.00 0.00 C ATOM 378 CG PHE A 24 -3.702 -7.820 -33.038 1.00 0.00 C ATOM 379 CD1 PHE A 24 -4.136 -8.855 -33.851 1.00 0.00 C ATOM 380 CD2 PHE A 24 -3.572 -8.051 -31.678 1.00 0.00 C ATOM 381 CE1 PHE A 24 -4.434 -10.096 -33.318 1.00 0.00 C ATOM 382 CE2 PHE A 24 -3.868 -9.289 -31.140 1.00 0.00 C ATOM 383 CZ PHE A 24 -4.301 -10.312 -31.960 1.00 0.00 C ATOM 0 H PHE A 24 -0.985 -5.985 -33.249 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.363 -7.521 -35.199 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.007 -5.824 -32.829 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.295 -6.022 -34.001 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.243 -8.691 -34.913 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.235 -7.254 -31.031 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.770 -10.895 -33.962 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.761 -9.456 -30.078 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.535 -11.279 -31.541 1.00 0.00 H new ATOM 393 N GLY A 25 -1.939 -4.407 -35.852 1.00 0.00 N ATOM 394 CA GLY A 25 -2.183 -3.365 -36.833 1.00 0.00 C ATOM 395 C GLY A 25 -3.291 -2.421 -36.411 1.00 0.00 C ATOM 396 O GLY A 25 -4.267 -2.234 -37.138 1.00 0.00 O ATOM 0 H GLY A 25 -1.164 -4.223 -35.215 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.266 -2.797 -36.991 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.443 -3.822 -37.788 1.00 0.00 H new ATOM 400 N VAL A 26 -3.142 -1.824 -35.233 1.00 0.00 N ATOM 401 CA VAL A 26 -4.139 -0.894 -34.715 1.00 0.00 C ATOM 402 C VAL A 26 -3.488 0.195 -33.871 1.00 0.00 C ATOM 403 O VAL A 26 -2.265 0.242 -33.733 1.00 0.00 O ATOM 404 CB VAL A 26 -5.198 -1.622 -33.866 1.00 0.00 C ATOM 405 CG1 VAL A 26 -6.051 -2.530 -34.740 1.00 0.00 C ATOM 406 CG2 VAL A 26 -4.534 -2.414 -32.750 1.00 0.00 C ATOM 0 H VAL A 26 -2.340 -1.968 -34.619 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.626 -0.439 -35.578 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.850 -0.876 -33.412 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.794 -3.036 -34.123 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.556 -1.934 -35.500 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.415 -3.271 -35.224 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.297 -2.922 -32.160 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.857 -3.152 -33.181 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.971 -1.736 -32.108 1.00 0.00 H new ATOM 416 N HIS A 27 -4.313 1.071 -33.306 1.00 0.00 N ATOM 417 CA HIS A 27 -3.817 2.161 -32.473 1.00 0.00 C ATOM 418 C HIS A 27 -4.063 1.871 -30.996 1.00 0.00 C ATOM 419 O HIS A 27 -4.919 1.057 -30.647 1.00 0.00 O ATOM 420 CB HIS A 27 -4.490 3.477 -32.865 1.00 0.00 C ATOM 421 CG HIS A 27 -3.639 4.683 -32.611 1.00 0.00 C ATOM 422 ND1 HIS A 27 -2.604 5.062 -33.439 1.00 0.00 N ATOM 423 CD2 HIS A 27 -3.676 5.599 -31.615 1.00 0.00 C ATOM 424 CE1 HIS A 27 -2.040 6.157 -32.963 1.00 0.00 C ATOM 425 NE2 HIS A 27 -2.672 6.504 -31.856 1.00 0.00 N ATOM 0 H HIS A 27 -5.327 1.047 -33.410 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.743 2.249 -32.634 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.750 3.442 -33.923 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.423 3.578 -32.311 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.367 5.615 -30.785 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -1.204 6.680 -33.404 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.450 7.312 -31.275 1.00 0.00 H new ATOM 433 N TYR A 28 -3.308 2.541 -30.133 1.00 0.00 N ATOM 434 CA TYR A 28 -3.442 2.352 -28.693 1.00 0.00 C ATOM 435 C TYR A 28 -4.873 2.622 -28.239 1.00 0.00 C ATOM 436 O TYR A 28 -5.484 1.802 -27.554 1.00 0.00 O ATOM 437 CB TYR A 28 -2.475 3.272 -27.945 1.00 0.00 C ATOM 438 CG TYR A 28 -2.874 3.530 -26.510 1.00 0.00 C ATOM 439 CD1 TYR A 28 -2.443 2.694 -25.487 1.00 0.00 C ATOM 440 CD2 TYR A 28 -3.682 4.610 -26.176 1.00 0.00 C ATOM 441 CE1 TYR A 28 -2.805 2.926 -24.174 1.00 0.00 C ATOM 442 CE2 TYR A 28 -4.048 4.850 -24.866 1.00 0.00 C ATOM 443 CZ TYR A 28 -3.607 4.005 -23.868 1.00 0.00 C ATOM 444 OH TYR A 28 -3.971 4.241 -22.562 1.00 0.00 O ATOM 0 H TYR A 28 -2.597 3.220 -30.405 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.197 1.315 -28.464 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.479 2.830 -27.963 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.411 4.224 -28.472 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.814 1.848 -25.722 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.030 5.273 -26.954 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.462 2.266 -23.391 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.676 5.695 -24.624 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.171 4.427 -22.028 1.00 0.00 H new ATOM 454 N PHE A 29 -5.401 3.778 -28.626 1.00 0.00 N ATOM 455 CA PHE A 29 -6.760 4.159 -28.260 1.00 0.00 C ATOM 456 C PHE A 29 -7.784 3.325 -29.025 1.00 0.00 C ATOM 457 O PHE A 29 -8.978 3.369 -28.735 1.00 0.00 O ATOM 458 CB PHE A 29 -6.989 5.646 -28.536 1.00 0.00 C ATOM 459 CG PHE A 29 -7.920 6.302 -27.557 1.00 0.00 C ATOM 460 CD1 PHE A 29 -7.536 6.499 -26.241 1.00 0.00 C ATOM 461 CD2 PHE A 29 -9.179 6.722 -27.954 1.00 0.00 C ATOM 462 CE1 PHE A 29 -8.392 7.101 -25.338 1.00 0.00 C ATOM 463 CE2 PHE A 29 -10.039 7.326 -27.056 1.00 0.00 C ATOM 464 CZ PHE A 29 -9.644 7.516 -25.746 1.00 0.00 C ATOM 0 H PHE A 29 -4.908 4.468 -29.193 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.887 3.971 -27.194 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.030 6.163 -28.515 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.392 5.763 -29.542 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.557 6.179 -25.917 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.492 6.576 -28.977 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.082 7.247 -24.314 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.018 7.649 -27.378 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.313 7.988 -25.042 1.00 0.00 H new ATOM 474 N ASN A 30 -7.305 2.565 -30.005 1.00 0.00 N ATOM 475 CA ASN A 30 -8.178 1.721 -30.814 1.00 0.00 C ATOM 476 C ASN A 30 -8.432 0.384 -30.125 1.00 0.00 C ATOM 477 O ASN A 30 -9.352 -0.349 -30.490 1.00 0.00 O ATOM 478 CB ASN A 30 -7.560 1.488 -32.194 1.00 0.00 C ATOM 479 CG ASN A 30 -8.232 2.313 -33.275 1.00 0.00 C ATOM 480 OD1 ASN A 30 -8.206 3.544 -33.238 1.00 0.00 O ATOM 481 ND2 ASN A 30 -8.838 1.638 -34.244 1.00 0.00 N ATOM 0 H ASN A 30 -6.318 2.516 -30.258 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.132 2.235 -30.933 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.499 1.734 -32.160 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.634 0.431 -32.449 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.307 2.139 -34.998 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.834 0.618 -34.234 1.00 0.00 H new ATOM 488 N ILE A 31 -7.611 0.073 -29.128 1.00 0.00 N ATOM 489 CA ILE A 31 -7.747 -1.176 -28.388 1.00 0.00 C ATOM 490 C ILE A 31 -8.187 -0.917 -26.951 1.00 0.00 C ATOM 491 O ILE A 31 -9.039 -1.625 -26.414 1.00 0.00 O ATOM 492 CB ILE A 31 -6.428 -1.970 -28.374 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.254 -1.044 -28.049 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.210 -2.659 -29.713 1.00 0.00 C ATOM 495 CD1 ILE A 31 -3.915 -1.749 -28.033 1.00 0.00 C ATOM 0 H ILE A 31 -6.845 0.668 -28.814 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.509 -1.764 -28.899 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.490 -2.735 -27.600 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.223 -0.239 -28.783 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.424 -0.582 -27.076 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.274 -3.216 -29.687 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.035 -3.344 -29.908 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.165 -1.911 -30.504 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.129 -1.032 -27.796 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.927 -2.536 -27.279 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.723 -2.187 -29.012 1.00 0.00 H new ATOM 507 N PHE A 32 -7.600 0.103 -26.333 1.00 0.00 N ATOM 508 CA PHE A 32 -7.931 0.456 -24.957 1.00 0.00 C ATOM 509 C PHE A 32 -7.741 1.951 -24.719 1.00 0.00 C ATOM 510 O PHE A 32 -6.892 2.587 -25.342 1.00 0.00 O ATOM 511 CB PHE A 32 -7.065 -0.342 -23.980 1.00 0.00 C ATOM 512 CG PHE A 32 -7.604 -1.712 -23.682 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.907 -1.877 -23.241 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.807 -2.834 -23.842 1.00 0.00 C ATOM 515 CE1 PHE A 32 -9.406 -3.136 -22.966 1.00 0.00 C ATOM 516 CE2 PHE A 32 -7.301 -4.095 -23.569 1.00 0.00 C ATOM 517 CZ PHE A 32 -8.601 -4.247 -23.130 1.00 0.00 C ATOM 0 H PHE A 32 -6.893 0.699 -26.763 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.979 0.209 -24.787 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.060 -0.437 -24.392 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.976 0.215 -23.047 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.540 -1.012 -23.111 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.789 -2.722 -24.184 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.424 -3.251 -22.623 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.670 -4.962 -23.699 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.988 -5.232 -22.915 1.00 0.00 H new ATOM 527 N ASN A 33 -8.540 2.506 -23.813 1.00 0.00 N ATOM 528 CA ASN A 33 -8.461 3.927 -23.492 1.00 0.00 C ATOM 529 C ASN A 33 -7.893 4.138 -22.092 1.00 0.00 C ATOM 530 O ASN A 33 -7.885 3.222 -21.268 1.00 0.00 O ATOM 531 CB ASN A 33 -9.844 4.572 -23.597 1.00 0.00 C ATOM 532 CG ASN A 33 -10.932 3.708 -22.988 1.00 0.00 C ATOM 533 OD1 ASN A 33 -11.318 3.898 -21.834 1.00 0.00 O ATOM 534 ND2 ASN A 33 -11.432 2.753 -23.763 1.00 0.00 N ATOM 0 H ASN A 33 -9.249 1.994 -23.288 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.792 4.400 -24.211 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.830 5.540 -23.096 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.076 4.759 -24.645 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.166 2.141 -23.408 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.082 2.632 -24.713 1.00 0.00 H new ATOM 541 N THR A 34 -7.420 5.352 -21.828 1.00 0.00 N ATOM 542 CA THR A 34 -6.850 5.684 -20.528 1.00 0.00 C ATOM 543 C THR A 34 -7.800 5.303 -19.398 1.00 0.00 C ATOM 544 O THR A 34 -7.377 4.769 -18.372 1.00 0.00 O ATOM 545 CB THR A 34 -6.524 7.186 -20.425 1.00 0.00 C ATOM 546 OG1 THR A 34 -7.702 7.961 -20.673 1.00 0.00 O ATOM 547 CG2 THR A 34 -5.437 7.573 -21.417 1.00 0.00 C ATOM 0 H THR A 34 -7.420 6.122 -22.497 1.00 0.00 H new ATOM 0 HA THR A 34 -5.927 5.112 -20.432 1.00 0.00 H new ATOM 0 HB THR A 34 -6.162 7.389 -19.417 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.487 8.915 -20.604 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.224 8.638 -21.326 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.532 7.002 -21.207 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.775 7.356 -22.430 1.00 0.00 H new ATOM 555 N VAL A 35 -9.085 5.579 -19.593 1.00 0.00 N ATOM 556 CA VAL A 35 -10.095 5.264 -18.590 1.00 0.00 C ATOM 557 C VAL A 35 -10.179 3.761 -18.347 1.00 0.00 C ATOM 558 O VAL A 35 -10.160 3.303 -17.205 1.00 0.00 O ATOM 559 CB VAL A 35 -11.484 5.783 -19.009 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.513 5.488 -17.929 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.427 7.273 -19.309 1.00 0.00 C ATOM 0 H VAL A 35 -9.451 6.020 -20.436 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.792 5.762 -17.669 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.788 5.263 -19.918 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.487 5.862 -18.243 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.572 4.412 -17.767 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.218 5.979 -17.001 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.416 7.623 -19.603 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.102 7.811 -18.419 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.722 7.454 -20.120 1.00 0.00 H new ATOM 571 N THR A 36 -10.270 2.997 -19.431 1.00 0.00 N ATOM 572 CA THR A 36 -10.357 1.545 -19.337 1.00 0.00 C ATOM 573 C THR A 36 -9.154 0.969 -18.600 1.00 0.00 C ATOM 574 O THR A 36 -9.304 0.174 -17.671 1.00 0.00 O ATOM 575 CB THR A 36 -10.450 0.896 -20.732 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.628 1.351 -21.406 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.475 -0.621 -20.622 1.00 0.00 C ATOM 0 H THR A 36 -10.285 3.360 -20.384 1.00 0.00 H new ATOM 0 HA THR A 36 -11.265 1.318 -18.778 1.00 0.00 H new ATOM 0 HB THR A 36 -9.570 1.188 -21.304 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.743 2.312 -21.252 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.541 -1.057 -21.619 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.563 -0.966 -20.135 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.339 -0.929 -20.033 1.00 0.00 H new ATOM 585 N LEU A 37 -7.960 1.373 -19.019 1.00 0.00 N ATOM 586 CA LEU A 37 -6.729 0.898 -18.398 1.00 0.00 C ATOM 587 C LEU A 37 -6.701 1.241 -16.912 1.00 0.00 C ATOM 588 O LEU A 37 -6.313 0.419 -16.081 1.00 0.00 O ATOM 589 CB LEU A 37 -5.513 1.508 -19.096 1.00 0.00 C ATOM 590 CG LEU A 37 -5.373 1.205 -20.589 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.051 1.736 -21.120 1.00 0.00 C ATOM 592 CD2 LEU A 37 -5.490 -0.291 -20.842 1.00 0.00 C ATOM 0 H LEU A 37 -7.818 2.029 -19.787 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.694 -0.186 -18.503 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.550 2.590 -18.967 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.614 1.157 -18.589 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.182 1.708 -21.120 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.969 1.511 -22.183 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.007 2.815 -20.973 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.228 1.263 -20.585 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.388 -0.489 -21.909 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.703 -0.814 -20.299 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.463 -0.643 -20.499 1.00 0.00 H new ATOM 604 N LYS A 38 -7.118 2.459 -16.583 1.00 0.00 N ATOM 605 CA LYS A 38 -7.145 2.911 -15.197 1.00 0.00 C ATOM 606 C LYS A 38 -8.083 2.046 -14.361 1.00 0.00 C ATOM 607 O LYS A 38 -7.767 1.687 -13.226 1.00 0.00 O ATOM 608 CB LYS A 38 -7.585 4.375 -15.125 1.00 0.00 C ATOM 609 CG LYS A 38 -7.142 5.081 -13.856 1.00 0.00 C ATOM 610 CD LYS A 38 -7.596 6.531 -13.836 1.00 0.00 C ATOM 611 CE LYS A 38 -6.772 7.386 -14.786 1.00 0.00 C ATOM 612 NZ LYS A 38 -7.207 8.810 -14.770 1.00 0.00 N ATOM 0 H LYS A 38 -7.442 3.151 -17.258 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.137 2.820 -14.792 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.184 4.909 -15.987 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.672 4.423 -15.197 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.547 4.560 -12.989 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.056 5.038 -13.775 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.648 6.588 -14.114 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.512 6.926 -12.824 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.719 7.325 -14.509 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.859 6.991 -15.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.621 9.359 -15.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.204 8.872 -15.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.100 9.195 -13.810 1.00 0.00 H new ATOM 626 N LYS A 39 -9.236 1.712 -14.929 1.00 0.00 N ATOM 627 CA LYS A 39 -10.220 0.886 -14.238 1.00 0.00 C ATOM 628 C LYS A 39 -9.658 -0.502 -13.949 1.00 0.00 C ATOM 629 O LYS A 39 -9.767 -1.007 -12.831 1.00 0.00 O ATOM 630 CB LYS A 39 -11.496 0.768 -15.074 1.00 0.00 C ATOM 631 CG LYS A 39 -12.211 2.092 -15.283 1.00 0.00 C ATOM 632 CD LYS A 39 -13.243 2.345 -14.197 1.00 0.00 C ATOM 633 CE LYS A 39 -13.970 3.663 -14.414 1.00 0.00 C ATOM 634 NZ LYS A 39 -15.217 3.750 -13.604 1.00 0.00 N ATOM 0 H LYS A 39 -9.513 2.001 -15.867 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.459 1.367 -13.289 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.246 0.343 -16.046 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.177 0.070 -14.586 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.483 2.903 -15.290 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.699 2.093 -16.258 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.965 1.528 -14.182 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.753 2.355 -13.223 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.309 4.489 -14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.215 3.773 -15.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.683 4.663 -13.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.859 2.977 -13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.981 3.671 -12.594 1.00 0.00 H new ATOM 648 N LEU A 40 -9.056 -1.114 -14.963 1.00 0.00 N ATOM 649 CA LEU A 40 -8.475 -2.444 -14.818 1.00 0.00 C ATOM 650 C LEU A 40 -7.400 -2.454 -13.736 1.00 0.00 C ATOM 651 O LEU A 40 -7.507 -3.177 -12.746 1.00 0.00 O ATOM 652 CB LEU A 40 -7.880 -2.911 -16.148 1.00 0.00 C ATOM 653 CG LEU A 40 -8.838 -2.934 -17.340 1.00 0.00 C ATOM 654 CD1 LEU A 40 -8.065 -2.875 -18.648 1.00 0.00 C ATOM 655 CD2 LEU A 40 -9.716 -4.176 -17.293 1.00 0.00 C ATOM 0 H LEU A 40 -8.958 -0.710 -15.895 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.269 -3.129 -14.522 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.040 -2.262 -16.395 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.478 -3.915 -16.011 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.481 -2.056 -17.282 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.764 -2.892 -19.485 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.479 -1.956 -18.683 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.397 -3.734 -18.715 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.392 -4.177 -18.148 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.088 -5.067 -17.326 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.298 -4.176 -16.371 1.00 0.00 H new ATOM 667 N ALA A 41 -6.364 -1.644 -13.931 1.00 0.00 N ATOM 668 CA ALA A 41 -5.271 -1.556 -12.971 1.00 0.00 C ATOM 669 C ALA A 41 -5.792 -1.223 -11.576 1.00 0.00 C ATOM 670 O ALA A 41 -5.269 -1.714 -10.576 1.00 0.00 O ATOM 671 CB ALA A 41 -4.256 -0.515 -13.420 1.00 0.00 C ATOM 0 H ALA A 41 -6.259 -1.039 -14.746 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.781 -2.528 -12.925 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.445 -0.460 -12.693 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.853 -0.796 -14.393 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.742 0.458 -13.496 1.00 0.00 H new ATOM 677 N GLU A 42 -6.823 -0.386 -11.519 1.00 0.00 N ATOM 678 CA GLU A 42 -7.412 0.013 -10.246 1.00 0.00 C ATOM 679 C GLU A 42 -8.021 -1.189 -9.528 1.00 0.00 C ATOM 680 O GLU A 42 -7.827 -1.370 -8.326 1.00 0.00 O ATOM 681 CB GLU A 42 -8.481 1.084 -10.467 1.00 0.00 C ATOM 682 CG GLU A 42 -7.934 2.502 -10.457 1.00 0.00 C ATOM 683 CD GLU A 42 -8.991 3.538 -10.787 1.00 0.00 C ATOM 684 OE1 GLU A 42 -9.576 3.457 -11.887 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.232 4.428 -9.946 1.00 0.00 O ATOM 0 H GLU A 42 -7.267 0.028 -12.338 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.619 0.425 -9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.975 0.901 -11.421 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.242 0.992 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.513 2.718 -9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.119 2.578 -11.177 1.00 0.00 H new ATOM 692 N SER A 43 -8.757 -2.005 -10.274 1.00 0.00 N ATOM 693 CA SER A 43 -9.398 -3.187 -9.709 1.00 0.00 C ATOM 694 C SER A 43 -8.364 -4.254 -9.364 1.00 0.00 C ATOM 695 O SER A 43 -8.348 -4.784 -8.253 1.00 0.00 O ATOM 696 CB SER A 43 -10.425 -3.755 -10.691 1.00 0.00 C ATOM 697 OG SER A 43 -11.572 -4.234 -10.010 1.00 0.00 O ATOM 0 H SER A 43 -8.925 -1.870 -11.271 1.00 0.00 H new ATOM 0 HA SER A 43 -9.907 -2.890 -8.792 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.717 -2.983 -11.403 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.975 -4.565 -11.265 1.00 0.00 H new ATOM 0 HG SER A 43 -12.213 -4.590 -10.660 1.00 0.00 H new ATOM 703 N LEU A 44 -7.500 -4.564 -10.325 1.00 0.00 N ATOM 704 CA LEU A 44 -6.461 -5.568 -10.125 1.00 0.00 C ATOM 705 C LEU A 44 -7.050 -6.858 -9.565 1.00 0.00 C ATOM 706 O LEU A 44 -7.067 -7.070 -8.353 1.00 0.00 O ATOM 707 CB LEU A 44 -5.384 -5.033 -9.179 1.00 0.00 C ATOM 708 CG LEU A 44 -4.171 -4.380 -9.843 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.544 -3.351 -8.915 1.00 0.00 C ATOM 710 CD2 LEU A 44 -3.149 -5.434 -10.243 1.00 0.00 C ATOM 0 H LEU A 44 -7.499 -4.134 -11.250 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.011 -5.787 -11.093 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.844 -4.304 -8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.033 -5.857 -8.557 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.507 -3.868 -10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.682 -2.897 -9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.277 -2.579 -8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.223 -3.839 -7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.293 -4.951 -10.714 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.818 -5.975 -9.356 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.603 -6.133 -10.946 1.00 0.00 H new ATOM 722 N SER A 45 -7.531 -7.719 -10.457 1.00 0.00 N ATOM 723 CA SER A 45 -8.124 -8.988 -10.052 1.00 0.00 C ATOM 724 C SER A 45 -8.390 -9.875 -11.265 1.00 0.00 C ATOM 725 O SER A 45 -9.074 -9.470 -12.205 1.00 0.00 O ATOM 726 CB SER A 45 -9.426 -8.747 -9.287 1.00 0.00 C ATOM 727 OG SER A 45 -10.205 -7.741 -9.911 1.00 0.00 O ATOM 0 H SER A 45 -7.521 -7.560 -11.465 1.00 0.00 H new ATOM 0 HA SER A 45 -7.417 -9.498 -9.398 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.997 -9.674 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.200 -8.453 -8.262 1.00 0.00 H new ATOM 0 HG SER A 45 -10.162 -7.851 -10.884 1.00 0.00 H new ATOM 733 N SER A 46 -7.844 -11.086 -11.235 1.00 0.00 N ATOM 734 CA SER A 46 -8.019 -12.030 -12.333 1.00 0.00 C ATOM 735 C SER A 46 -9.498 -12.235 -12.644 1.00 0.00 C ATOM 736 O SER A 46 -9.892 -12.335 -13.806 1.00 0.00 O ATOM 737 CB SER A 46 -7.368 -13.371 -11.989 1.00 0.00 C ATOM 738 OG SER A 46 -6.712 -13.313 -10.734 1.00 0.00 O ATOM 0 H SER A 46 -7.277 -11.437 -10.463 1.00 0.00 H new ATOM 0 HA SER A 46 -7.535 -11.615 -13.217 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.127 -14.153 -11.970 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.652 -13.641 -12.765 1.00 0.00 H new ATOM 0 HG SER A 46 -6.866 -14.149 -10.246 1.00 0.00 H new ATOM 744 N ASP A 47 -10.313 -12.296 -11.596 1.00 0.00 N ATOM 745 CA ASP A 47 -11.750 -12.487 -11.756 1.00 0.00 C ATOM 746 C ASP A 47 -12.301 -11.580 -12.851 1.00 0.00 C ATOM 747 O ASP A 47 -12.447 -10.370 -12.673 1.00 0.00 O ATOM 748 CB ASP A 47 -12.472 -12.212 -10.436 1.00 0.00 C ATOM 749 CG ASP A 47 -12.481 -13.418 -9.518 1.00 0.00 C ATOM 750 OD1 ASP A 47 -12.799 -14.526 -9.998 1.00 0.00 O ATOM 751 OD2 ASP A 47 -12.171 -13.254 -8.319 1.00 0.00 O ATOM 0 H ASP A 47 -10.003 -12.216 -10.627 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.924 -13.523 -12.047 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.989 -11.377 -9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.498 -11.909 -10.643 1.00 0.00 H new ATOM 756 N PRO A 48 -12.614 -12.175 -14.011 1.00 0.00 N ATOM 757 CA PRO A 48 -13.154 -11.438 -15.158 1.00 0.00 C ATOM 758 C PRO A 48 -14.576 -10.946 -14.914 1.00 0.00 C ATOM 759 O PRO A 48 -15.127 -10.191 -15.715 1.00 0.00 O ATOM 760 CB PRO A 48 -13.132 -12.473 -16.286 1.00 0.00 C ATOM 761 CG PRO A 48 -13.200 -13.790 -15.593 1.00 0.00 C ATOM 762 CD PRO A 48 -12.466 -13.612 -14.293 1.00 0.00 C ATOM 0 HA PRO A 48 -12.576 -10.539 -15.374 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.975 -12.338 -16.963 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.225 -12.387 -16.885 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.234 -14.087 -15.420 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.741 -14.573 -16.197 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.898 -14.223 -13.501 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.418 -13.898 -14.381 1.00 0.00 H new ATOM 770 N GLU A 49 -15.165 -11.379 -13.803 1.00 0.00 N ATOM 771 CA GLU A 49 -16.524 -10.982 -13.455 1.00 0.00 C ATOM 772 C GLU A 49 -16.595 -9.486 -13.159 1.00 0.00 C ATOM 773 O GLU A 49 -17.453 -8.778 -13.685 1.00 0.00 O ATOM 774 CB GLU A 49 -17.017 -11.777 -12.245 1.00 0.00 C ATOM 775 CG GLU A 49 -17.137 -13.269 -12.504 1.00 0.00 C ATOM 776 CD GLU A 49 -17.748 -14.017 -11.335 1.00 0.00 C ATOM 777 OE1 GLU A 49 -18.875 -13.666 -10.929 1.00 0.00 O ATOM 778 OE2 GLU A 49 -17.097 -14.954 -10.826 1.00 0.00 O ATOM 0 H GLU A 49 -14.722 -12.004 -13.129 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.168 -11.197 -14.308 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.333 -11.615 -11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -17.989 -11.391 -11.939 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.746 -13.432 -13.393 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.149 -13.678 -12.716 1.00 0.00 H new ATOM 785 N VAL A 50 -15.686 -9.013 -12.312 1.00 0.00 N ATOM 786 CA VAL A 50 -15.644 -7.603 -11.945 1.00 0.00 C ATOM 787 C VAL A 50 -15.222 -6.739 -13.129 1.00 0.00 C ATOM 788 O VAL A 50 -15.674 -5.603 -13.275 1.00 0.00 O ATOM 789 CB VAL A 50 -14.676 -7.356 -10.773 1.00 0.00 C ATOM 790 CG1 VAL A 50 -15.085 -8.180 -9.561 1.00 0.00 C ATOM 791 CG2 VAL A 50 -13.247 -7.674 -11.186 1.00 0.00 C ATOM 0 H VAL A 50 -14.969 -9.586 -11.867 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.653 -7.326 -11.638 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.725 -6.302 -10.500 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.390 -7.993 -8.742 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.092 -7.899 -9.253 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -15.066 -9.239 -9.818 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.577 -7.494 -10.346 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.179 -8.720 -11.486 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -12.960 -7.037 -12.022 1.00 0.00 H new ATOM 801 N LEU A 51 -14.352 -7.285 -13.971 1.00 0.00 N ATOM 802 CA LEU A 51 -13.868 -6.565 -15.144 1.00 0.00 C ATOM 803 C LEU A 51 -14.987 -6.365 -16.161 1.00 0.00 C ATOM 804 O LEU A 51 -15.075 -5.319 -16.805 1.00 0.00 O ATOM 805 CB LEU A 51 -12.707 -7.324 -15.789 1.00 0.00 C ATOM 806 CG LEU A 51 -11.713 -7.976 -14.827 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.593 -8.658 -15.597 1.00 0.00 C ATOM 808 CD2 LEU A 51 -11.148 -6.943 -13.863 1.00 0.00 C ATOM 0 H LEU A 51 -13.967 -8.224 -13.864 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.518 -5.585 -14.819 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.120 -8.100 -16.433 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.160 -6.634 -16.431 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.241 -8.734 -14.248 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.896 -9.116 -14.896 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.013 -9.427 -16.245 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.066 -7.921 -16.203 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.443 -7.425 -13.186 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.636 -6.162 -14.425 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.960 -6.501 -13.286 1.00 0.00 H new ATOM 820 N LEU A 52 -15.842 -7.373 -16.298 1.00 0.00 N ATOM 821 CA LEU A 52 -16.958 -7.307 -17.235 1.00 0.00 C ATOM 822 C LEU A 52 -17.871 -6.129 -16.911 1.00 0.00 C ATOM 823 O LEU A 52 -18.591 -5.634 -17.778 1.00 0.00 O ATOM 824 CB LEU A 52 -17.757 -8.611 -17.199 1.00 0.00 C ATOM 825 CG LEU A 52 -17.727 -9.452 -18.476 1.00 0.00 C ATOM 826 CD1 LEU A 52 -16.300 -9.849 -18.820 1.00 0.00 C ATOM 827 CD2 LEU A 52 -18.603 -10.687 -18.322 1.00 0.00 C ATOM 0 H LEU A 52 -15.784 -8.245 -15.772 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.552 -7.164 -18.237 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -17.382 -9.221 -16.377 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.795 -8.371 -16.970 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.122 -8.850 -19.294 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -16.298 -10.447 -19.731 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -15.700 -8.952 -18.973 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -15.878 -10.433 -18.002 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.570 -11.274 -19.240 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -18.237 -11.291 -17.492 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -19.630 -10.382 -18.124 1.00 0.00 H new ATOM 839 N GLN A 53 -17.834 -5.684 -15.659 1.00 0.00 N ATOM 840 CA GLN A 53 -18.658 -4.563 -15.223 1.00 0.00 C ATOM 841 C GLN A 53 -18.013 -3.234 -15.603 1.00 0.00 C ATOM 842 O GLN A 53 -18.560 -2.166 -15.325 1.00 0.00 O ATOM 843 CB GLN A 53 -18.877 -4.622 -13.710 1.00 0.00 C ATOM 844 CG GLN A 53 -19.933 -5.631 -13.288 1.00 0.00 C ATOM 845 CD GLN A 53 -20.380 -5.442 -11.852 1.00 0.00 C ATOM 846 OE1 GLN A 53 -21.571 -5.301 -11.574 1.00 0.00 O ATOM 847 NE2 GLN A 53 -19.424 -5.437 -10.930 1.00 0.00 N ATOM 0 H GLN A 53 -17.243 -6.082 -14.929 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.622 -4.636 -15.726 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -17.934 -4.871 -13.224 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -19.168 -3.634 -13.354 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -20.796 -5.545 -13.948 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -19.537 -6.639 -13.412 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -18.449 -5.557 -11.205 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -19.665 -5.313 -9.947 1.00 0.00 H new ATOM 856 N ILE A 54 -16.849 -3.307 -16.240 1.00 0.00 N ATOM 857 CA ILE A 54 -16.132 -2.109 -16.659 1.00 0.00 C ATOM 858 C ILE A 54 -16.523 -1.701 -18.075 1.00 0.00 C ATOM 859 O ILE A 54 -16.359 -2.472 -19.021 1.00 0.00 O ATOM 860 CB ILE A 54 -14.607 -2.317 -16.599 1.00 0.00 C ATOM 861 CG1 ILE A 54 -14.200 -2.875 -15.234 1.00 0.00 C ATOM 862 CG2 ILE A 54 -13.883 -1.008 -16.879 1.00 0.00 C ATOM 863 CD1 ILE A 54 -12.713 -3.118 -15.099 1.00 0.00 C ATOM 0 H ILE A 54 -16.383 -4.183 -16.477 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.410 -1.315 -15.966 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.323 -3.038 -17.365 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.518 -2.180 -14.457 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.730 -3.812 -15.061 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.806 -1.171 -16.833 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.154 -0.648 -17.871 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.170 -0.267 -16.133 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.498 -3.513 -14.106 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.392 -3.836 -15.853 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.177 -2.180 -15.240 1.00 0.00 H new ATOM 875 N ASP A 55 -17.039 -0.485 -18.213 1.00 0.00 N ATOM 876 CA ASP A 55 -17.450 0.027 -19.515 1.00 0.00 C ATOM 877 C ASP A 55 -16.267 0.085 -20.476 1.00 0.00 C ATOM 878 O ASP A 55 -15.307 0.822 -20.251 1.00 0.00 O ATOM 879 CB ASP A 55 -18.071 1.417 -19.367 1.00 0.00 C ATOM 880 CG ASP A 55 -18.455 2.025 -20.702 1.00 0.00 C ATOM 881 OD1 ASP A 55 -19.595 1.792 -21.154 1.00 0.00 O ATOM 882 OD2 ASP A 55 -17.614 2.734 -21.294 1.00 0.00 O ATOM 0 H ASP A 55 -17.183 0.164 -17.440 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.195 -0.654 -19.926 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.955 1.351 -18.733 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.365 2.075 -18.861 1.00 0.00 H new ATOM 887 N GLY A 56 -16.342 -0.698 -21.547 1.00 0.00 N ATOM 888 CA GLY A 56 -15.269 -0.722 -22.525 1.00 0.00 C ATOM 889 C GLY A 56 -14.485 -2.018 -22.494 1.00 0.00 C ATOM 890 O GLY A 56 -13.255 -2.009 -22.535 1.00 0.00 O ATOM 0 H GLY A 56 -17.126 -1.316 -21.756 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.687 -0.577 -23.521 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.593 0.112 -22.339 1.00 0.00 H new ATOM 894 N VAL A 57 -15.198 -3.138 -22.420 1.00 0.00 N ATOM 895 CA VAL A 57 -14.561 -4.449 -22.383 1.00 0.00 C ATOM 896 C VAL A 57 -15.490 -5.527 -22.929 1.00 0.00 C ATOM 897 O VAL A 57 -16.669 -5.585 -22.575 1.00 0.00 O ATOM 898 CB VAL A 57 -14.138 -4.827 -20.951 1.00 0.00 C ATOM 899 CG1 VAL A 57 -15.359 -4.988 -20.059 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.304 -6.099 -20.961 1.00 0.00 C ATOM 0 H VAL A 57 -16.217 -3.163 -22.385 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.673 -4.387 -23.012 1.00 0.00 H new ATOM 0 HB VAL A 57 -13.526 -4.021 -20.546 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -15.041 -5.255 -19.051 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -15.913 -4.050 -20.028 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.000 -5.775 -20.458 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -13.014 -6.352 -19.941 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.890 -6.915 -21.384 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -12.410 -5.943 -21.565 1.00 0.00 H new ATOM 910 N THR A 58 -14.953 -6.382 -23.793 1.00 0.00 N ATOM 911 CA THR A 58 -15.734 -7.459 -24.389 1.00 0.00 C ATOM 912 C THR A 58 -15.037 -8.804 -24.216 1.00 0.00 C ATOM 913 O THR A 58 -13.880 -8.865 -23.802 1.00 0.00 O ATOM 914 CB THR A 58 -15.981 -7.211 -25.889 1.00 0.00 C ATOM 915 OG1 THR A 58 -14.777 -7.442 -26.628 1.00 0.00 O ATOM 916 CG2 THR A 58 -16.464 -5.789 -26.129 1.00 0.00 C ATOM 0 H THR A 58 -13.980 -6.350 -24.096 1.00 0.00 H new ATOM 0 HA THR A 58 -16.692 -7.479 -23.869 1.00 0.00 H new ATOM 0 HB THR A 58 -16.753 -7.902 -26.227 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.943 -7.284 -27.581 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.632 -5.637 -27.195 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.396 -5.625 -25.588 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.711 -5.084 -25.776 1.00 0.00 H new ATOM 924 N GLU A 59 -15.750 -9.880 -24.536 1.00 0.00 N ATOM 925 CA GLU A 59 -15.198 -11.224 -24.415 1.00 0.00 C ATOM 926 C GLU A 59 -13.978 -11.395 -25.316 1.00 0.00 C ATOM 927 O GLU A 59 -12.998 -12.035 -24.937 1.00 0.00 O ATOM 928 CB GLU A 59 -16.258 -12.268 -24.771 1.00 0.00 C ATOM 929 CG GLU A 59 -15.788 -13.701 -24.584 1.00 0.00 C ATOM 930 CD GLU A 59 -16.824 -14.717 -25.025 1.00 0.00 C ATOM 931 OE1 GLU A 59 -17.989 -14.323 -25.238 1.00 0.00 O ATOM 932 OE2 GLU A 59 -16.468 -15.907 -25.156 1.00 0.00 O ATOM 0 H GLU A 59 -16.710 -9.847 -24.880 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.887 -11.369 -23.380 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -17.142 -12.101 -24.155 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.561 -12.126 -25.808 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.869 -13.855 -25.150 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.547 -13.866 -23.534 1.00 0.00 H new ATOM 939 N ASP A 60 -14.047 -10.817 -26.511 1.00 0.00 N ATOM 940 CA ASP A 60 -12.950 -10.904 -27.467 1.00 0.00 C ATOM 941 C ASP A 60 -11.733 -10.130 -26.969 1.00 0.00 C ATOM 942 O ASP A 60 -10.602 -10.609 -27.052 1.00 0.00 O ATOM 943 CB ASP A 60 -13.389 -10.368 -28.830 1.00 0.00 C ATOM 944 CG ASP A 60 -14.236 -11.362 -29.598 1.00 0.00 C ATOM 945 OD1 ASP A 60 -14.027 -12.581 -29.422 1.00 0.00 O ATOM 946 OD2 ASP A 60 -15.109 -10.922 -30.375 1.00 0.00 O ATOM 0 H ASP A 60 -14.852 -10.283 -26.840 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.673 -11.953 -27.571 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.954 -9.446 -28.690 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.507 -10.115 -29.419 1.00 0.00 H new ATOM 951 N LYS A 61 -11.973 -8.929 -26.453 1.00 0.00 N ATOM 952 CA LYS A 61 -10.898 -8.087 -25.942 1.00 0.00 C ATOM 953 C LYS A 61 -10.167 -8.776 -24.794 1.00 0.00 C ATOM 954 O LYS A 61 -8.939 -8.873 -24.796 1.00 0.00 O ATOM 955 CB LYS A 61 -11.456 -6.742 -25.471 1.00 0.00 C ATOM 956 CG LYS A 61 -11.699 -5.756 -26.600 1.00 0.00 C ATOM 957 CD LYS A 61 -11.607 -4.319 -26.114 1.00 0.00 C ATOM 958 CE LYS A 61 -12.205 -3.350 -27.123 1.00 0.00 C ATOM 959 NZ LYS A 61 -13.679 -3.215 -26.956 1.00 0.00 N ATOM 0 H LYS A 61 -12.903 -8.517 -26.378 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.188 -7.916 -26.751 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.393 -6.912 -24.941 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.761 -6.300 -24.757 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.968 -5.921 -27.392 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.684 -5.932 -27.033 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.128 -4.222 -25.162 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.563 -4.061 -25.934 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.736 -2.373 -27.010 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.984 -3.695 -28.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.049 -2.546 -27.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.130 -4.143 -27.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.889 -2.861 -26.001 1.00 0.00 H new ATOM 973 N LEU A 62 -10.928 -9.253 -23.815 1.00 0.00 N ATOM 974 CA LEU A 62 -10.352 -9.934 -22.661 1.00 0.00 C ATOM 975 C LEU A 62 -9.758 -11.280 -23.064 1.00 0.00 C ATOM 976 O LEU A 62 -8.840 -11.783 -22.417 1.00 0.00 O ATOM 977 CB LEU A 62 -11.415 -10.136 -21.580 1.00 0.00 C ATOM 978 CG LEU A 62 -12.588 -11.044 -21.953 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.221 -12.504 -21.740 1.00 0.00 C ATOM 980 CD2 LEU A 62 -13.824 -10.679 -21.143 1.00 0.00 C ATOM 0 H LEU A 62 -11.945 -9.181 -23.797 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.552 -9.309 -22.263 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.930 -10.547 -20.695 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.812 -9.160 -21.302 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.814 -10.898 -23.009 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -13.068 -13.135 -22.010 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.364 -12.759 -22.364 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.968 -12.666 -20.692 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.648 -11.335 -21.422 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.610 -10.796 -20.081 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.100 -9.644 -21.346 1.00 0.00 H new ATOM 992 N GLU A 63 -10.288 -11.857 -24.138 1.00 0.00 N ATOM 993 CA GLU A 63 -9.809 -13.145 -24.627 1.00 0.00 C ATOM 994 C GLU A 63 -8.455 -12.995 -25.315 1.00 0.00 C ATOM 995 O GLU A 63 -7.618 -13.897 -25.267 1.00 0.00 O ATOM 996 CB GLU A 63 -10.822 -13.755 -25.598 1.00 0.00 C ATOM 997 CG GLU A 63 -10.345 -15.046 -26.243 1.00 0.00 C ATOM 998 CD GLU A 63 -11.491 -15.931 -26.692 1.00 0.00 C ATOM 999 OE1 GLU A 63 -12.451 -15.402 -27.292 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -11.428 -17.154 -26.445 1.00 0.00 O ATOM 0 H GLU A 63 -11.048 -11.454 -24.686 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.691 -13.810 -23.771 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.753 -13.947 -25.065 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.046 -13.029 -26.380 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.716 -14.808 -27.101 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.724 -15.594 -25.535 1.00 0.00 H new ATOM 1007 N LYS A 64 -8.247 -11.850 -25.956 1.00 0.00 N ATOM 1008 CA LYS A 64 -6.995 -11.580 -26.654 1.00 0.00 C ATOM 1009 C LYS A 64 -5.976 -10.940 -25.716 1.00 0.00 C ATOM 1010 O LYS A 64 -4.843 -11.408 -25.602 1.00 0.00 O ATOM 1011 CB LYS A 64 -7.244 -10.665 -27.854 1.00 0.00 C ATOM 1012 CG LYS A 64 -7.816 -11.387 -29.062 1.00 0.00 C ATOM 1013 CD LYS A 64 -8.463 -10.418 -30.037 1.00 0.00 C ATOM 1014 CE LYS A 64 -8.270 -10.865 -31.478 1.00 0.00 C ATOM 1015 NZ LYS A 64 -9.136 -12.026 -31.820 1.00 0.00 N ATOM 0 H LYS A 64 -8.929 -11.094 -26.007 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.592 -12.530 -27.006 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.929 -9.870 -27.558 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.306 -10.188 -28.137 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.022 -11.937 -29.567 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.553 -12.120 -28.733 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.528 -10.338 -29.819 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.035 -9.425 -29.903 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.494 -10.035 -32.148 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.225 -11.132 -31.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.974 -12.300 -32.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.905 -12.826 -31.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.134 -11.764 -31.692 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.387 -9.870 -25.045 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.510 -9.166 -24.117 1.00 0.00 C ATOM 1031 C TYR A 65 -5.766 -9.611 -22.681 1.00 0.00 C ATOM 1032 O TYR A 65 -4.840 -9.976 -21.957 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.712 -7.655 -24.239 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.325 -7.229 -25.554 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.687 -7.495 -26.759 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.544 -6.563 -25.591 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.243 -7.108 -27.962 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -8.108 -6.173 -26.790 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.454 -6.447 -27.973 1.00 0.00 C ATOM 1040 OH TYR A 65 -8.012 -6.061 -29.170 1.00 0.00 O ATOM 0 H TYR A 65 -7.322 -9.471 -25.126 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.479 -9.410 -24.375 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.351 -7.316 -23.423 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.750 -7.158 -24.119 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.740 -8.014 -26.755 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.059 -6.347 -24.667 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.733 -7.322 -28.890 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.056 -5.656 -26.801 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.865 -5.609 -29.002 1.00 0.00 H new ATOM 1050 N GLY A 66 -7.032 -9.578 -22.274 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.389 -9.980 -20.927 1.00 0.00 C ATOM 1052 C GLY A 66 -6.660 -11.233 -20.483 1.00 0.00 C ATOM 1053 O GLY A 66 -6.341 -11.390 -19.305 1.00 0.00 O ATOM 0 H GLY A 66 -7.816 -9.280 -22.854 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.162 -9.168 -20.237 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.464 -10.151 -20.875 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.396 -12.128 -21.429 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.700 -13.374 -21.130 1.00 0.00 C ATOM 1059 C ALA A 67 -4.431 -13.113 -20.324 1.00 0.00 C ATOM 1060 O ALA A 67 -4.251 -13.664 -19.239 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.368 -14.115 -22.416 1.00 0.00 C ATOM 0 H ALA A 67 -6.654 -12.014 -22.409 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.361 -13.996 -20.527 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.849 -15.043 -22.177 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.289 -14.342 -22.953 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.728 -13.491 -23.040 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.555 -12.272 -20.864 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.303 -11.941 -20.195 1.00 0.00 C ATOM 1069 C GLU A 68 -2.565 -11.255 -18.857 1.00 0.00 C ATOM 1070 O GLU A 68 -1.837 -11.463 -17.887 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.447 -11.037 -21.085 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.292 -11.551 -22.506 1.00 0.00 C ATOM 1073 CD GLU A 68 -0.884 -13.011 -22.557 1.00 0.00 C ATOM 1074 OE1 GLU A 68 0.152 -13.359 -21.952 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -1.600 -13.805 -23.202 1.00 0.00 O ATOM 0 H GLU A 68 -3.689 -11.808 -21.762 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.765 -12.870 -20.008 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.893 -10.043 -21.114 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.459 -10.930 -20.637 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.234 -11.422 -23.040 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.546 -10.951 -23.026 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.611 -10.436 -18.814 1.00 0.00 N ATOM 1083 CA VAL A 69 -3.971 -9.720 -17.596 1.00 0.00 C ATOM 1084 C VAL A 69 -4.335 -10.688 -16.476 1.00 0.00 C ATOM 1085 O VAL A 69 -3.838 -10.571 -15.356 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.154 -8.762 -17.837 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.363 -7.858 -16.632 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -4.925 -7.941 -19.097 1.00 0.00 C ATOM 0 H VAL A 69 -4.224 -10.252 -19.608 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.097 -9.140 -17.300 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.058 -9.355 -17.976 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.202 -7.189 -16.821 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.575 -8.467 -15.753 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.462 -7.270 -16.458 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.770 -7.270 -19.252 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.012 -7.356 -18.989 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.829 -8.608 -19.954 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.205 -11.643 -16.787 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.635 -12.632 -15.807 1.00 0.00 C ATOM 1100 C ILE A 70 -4.469 -13.509 -15.364 1.00 0.00 C ATOM 1101 O ILE A 70 -4.310 -13.795 -14.177 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.754 -13.530 -16.367 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -7.970 -12.686 -16.753 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.141 -14.592 -15.348 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -9.152 -13.507 -17.220 1.00 0.00 C ATOM 0 H ILE A 70 -5.626 -11.753 -17.710 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.019 -12.080 -14.949 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.384 -14.031 -17.262 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.272 -12.085 -15.895 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.684 -11.992 -17.544 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.933 -15.219 -15.758 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.272 -15.209 -15.118 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.495 -14.110 -14.437 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.977 -12.843 -17.477 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.867 -14.088 -18.097 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.464 -14.182 -16.423 1.00 0.00 H new ATOM 1117 N SER A 71 -3.654 -13.931 -16.325 1.00 0.00 N ATOM 1118 CA SER A 71 -2.503 -14.778 -16.035 1.00 0.00 C ATOM 1119 C SER A 71 -1.565 -14.098 -15.041 1.00 0.00 C ATOM 1120 O SER A 71 -1.099 -14.718 -14.086 1.00 0.00 O ATOM 1121 CB SER A 71 -1.746 -15.106 -17.323 1.00 0.00 C ATOM 1122 OG SER A 71 -2.365 -16.175 -18.019 1.00 0.00 O ATOM 0 H SER A 71 -3.769 -13.700 -17.312 1.00 0.00 H new ATOM 0 HA SER A 71 -2.868 -15.704 -15.590 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.710 -14.224 -17.962 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.715 -15.370 -17.086 1.00 0.00 H new ATOM 0 HG SER A 71 -1.864 -16.365 -18.839 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.294 -12.817 -15.275 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.413 -12.051 -14.401 1.00 0.00 C ATOM 1130 C VAL A 72 -1.024 -11.885 -13.014 1.00 0.00 C ATOM 1131 O VAL A 72 -0.363 -12.115 -12.000 1.00 0.00 O ATOM 1132 CB VAL A 72 -0.113 -10.659 -14.988 1.00 0.00 C ATOM 1133 CG1 VAL A 72 0.774 -9.862 -14.044 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.533 -10.788 -16.359 1.00 0.00 C ATOM 0 H VAL A 72 -1.672 -12.289 -16.062 1.00 0.00 H new ATOM 0 HA VAL A 72 0.518 -12.611 -14.320 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.054 -10.121 -15.104 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.976 -8.881 -14.475 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.269 -9.740 -13.086 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.714 -10.392 -13.894 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.738 -9.795 -16.759 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.466 -11.344 -16.271 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.142 -11.318 -17.031 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.290 -11.484 -12.976 1.00 0.00 N ATOM 1145 CA LEU A 73 -2.993 -11.288 -11.712 1.00 0.00 C ATOM 1146 C LEU A 73 -3.055 -12.587 -10.916 1.00 0.00 C ATOM 1147 O LEU A 73 -3.083 -12.571 -9.686 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.407 -10.764 -11.968 1.00 0.00 C ATOM 1149 CG LEU A 73 -4.504 -9.393 -12.638 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -5.736 -9.319 -13.527 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -4.534 -8.289 -11.590 1.00 0.00 C ATOM 0 H LEU A 73 -2.851 -11.288 -13.805 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.440 -10.552 -11.128 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.934 -11.488 -12.589 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.934 -10.718 -11.015 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.622 -9.252 -13.262 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.788 -8.336 -13.995 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.674 -10.086 -14.299 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.630 -9.482 -12.925 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.603 -7.320 -12.084 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.398 -8.427 -10.940 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.622 -8.328 -10.994 1.00 0.00 H new ATOM 1163 N GLN A 74 -3.076 -13.710 -11.626 1.00 0.00 N ATOM 1164 CA GLN A 74 -3.134 -15.018 -10.985 1.00 0.00 C ATOM 1165 C GLN A 74 -1.737 -15.501 -10.606 1.00 0.00 C ATOM 1166 O GLN A 74 -1.564 -16.222 -9.623 1.00 0.00 O ATOM 1167 CB GLN A 74 -3.803 -16.035 -11.911 1.00 0.00 C ATOM 1168 CG GLN A 74 -5.252 -16.322 -11.553 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.422 -16.756 -10.111 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.474 -17.214 -9.473 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -6.634 -16.613 -9.588 1.00 0.00 N ATOM 0 H GLN A 74 -3.054 -13.740 -12.645 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.726 -14.922 -10.075 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.757 -15.666 -12.936 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.239 -16.967 -11.882 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.850 -15.429 -11.732 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.637 -17.101 -12.211 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.391 -16.229 -10.153 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.808 -16.887 -8.621 1.00 0.00 H new ATOM 1180 N LYS A 75 -0.744 -15.099 -11.391 1.00 0.00 N ATOM 1181 CA LYS A 75 0.638 -15.488 -11.138 1.00 0.00 C ATOM 1182 C LYS A 75 1.149 -14.871 -9.841 1.00 0.00 C ATOM 1183 O LYS A 75 1.637 -15.575 -8.957 1.00 0.00 O ATOM 1184 CB LYS A 75 1.531 -15.062 -12.305 1.00 0.00 C ATOM 1185 CG LYS A 75 1.623 -16.098 -13.412 1.00 0.00 C ATOM 1186 CD LYS A 75 3.000 -16.106 -14.055 1.00 0.00 C ATOM 1187 CE LYS A 75 3.151 -14.977 -15.063 1.00 0.00 C ATOM 1188 NZ LYS A 75 4.239 -15.250 -16.042 1.00 0.00 N ATOM 0 H LYS A 75 -0.871 -14.503 -12.209 1.00 0.00 H new ATOM 0 HA LYS A 75 0.671 -16.573 -11.040 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.149 -14.130 -12.722 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.533 -14.856 -11.928 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.404 -17.086 -13.006 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.868 -15.890 -14.170 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.764 -16.011 -13.283 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.166 -17.062 -14.551 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.210 -14.837 -15.595 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.361 -14.046 -14.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.310 -14.458 -16.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.142 -15.358 -15.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.026 -16.125 -16.562 1.00 0.00 H new ATOM 1202 N TYR A 76 1.032 -13.552 -9.732 1.00 0.00 N ATOM 1203 CA TYR A 76 1.483 -12.840 -8.542 1.00 0.00 C ATOM 1204 C TYR A 76 0.592 -13.161 -7.346 1.00 0.00 C ATOM 1205 O TYR A 76 1.032 -13.101 -6.197 1.00 0.00 O ATOM 1206 CB TYR A 76 1.490 -11.332 -8.797 1.00 0.00 C ATOM 1207 CG TYR A 76 0.240 -10.630 -8.317 1.00 0.00 C ATOM 1208 CD1 TYR A 76 -0.948 -10.719 -9.032 1.00 0.00 C ATOM 1209 CD2 TYR A 76 0.246 -9.879 -7.148 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -2.093 -10.079 -8.598 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -0.894 -9.237 -6.705 1.00 0.00 C ATOM 1212 CZ TYR A 76 -2.061 -9.340 -7.434 1.00 0.00 C ATOM 1213 OH TYR A 76 -3.199 -8.701 -6.996 1.00 0.00 O ATOM 0 H TYR A 76 0.629 -12.954 -10.453 1.00 0.00 H new ATOM 0 HA TYR A 76 2.497 -13.168 -8.315 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.356 -10.893 -8.302 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.609 -11.153 -9.866 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.977 -11.299 -9.943 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.158 -9.796 -6.576 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.008 -10.157 -9.167 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.872 -8.658 -5.794 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.006 -8.225 -6.161 1.00 0.00 H new ATOM 1223 N SER A 77 -0.662 -13.501 -7.624 1.00 0.00 N ATOM 1224 CA SER A 77 -1.617 -13.828 -6.571 1.00 0.00 C ATOM 1225 C SER A 77 -1.206 -15.105 -5.843 1.00 0.00 C ATOM 1226 O SER A 77 -1.455 -15.256 -4.647 1.00 0.00 O ATOM 1227 CB SER A 77 -3.020 -13.992 -7.159 1.00 0.00 C ATOM 1228 OG SER A 77 -3.718 -12.759 -7.164 1.00 0.00 O ATOM 0 H SER A 77 -1.041 -13.557 -8.569 1.00 0.00 H new ATOM 0 HA SER A 77 -1.625 -13.007 -5.854 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.949 -14.377 -8.176 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.578 -14.727 -6.578 1.00 0.00 H new ATOM 0 HG SER A 77 -3.482 -12.253 -7.970 1.00 0.00 H new ATOM 1234 N GLU A 78 -0.576 -16.019 -6.574 1.00 0.00 N ATOM 1235 CA GLU A 78 -0.131 -17.282 -5.998 1.00 0.00 C ATOM 1236 C GLU A 78 -1.313 -18.077 -5.450 1.00 0.00 C ATOM 1237 O GLU A 78 -1.231 -18.669 -4.374 1.00 0.00 O ATOM 1238 CB GLU A 78 0.888 -17.030 -4.884 1.00 0.00 C ATOM 1239 CG GLU A 78 2.065 -16.174 -5.319 1.00 0.00 C ATOM 1240 CD GLU A 78 3.230 -16.249 -4.351 1.00 0.00 C ATOM 1241 OE1 GLU A 78 3.159 -15.602 -3.285 1.00 0.00 O ATOM 1242 OE2 GLU A 78 4.213 -16.955 -4.660 1.00 0.00 O ATOM 0 H GLU A 78 -0.363 -15.908 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 78 0.342 -17.865 -6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.386 -16.545 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.261 -17.988 -4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.397 -16.494 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.741 -15.137 -5.412 1.00 0.00 H new ATOM 1249 N TRP A 79 -2.411 -18.083 -6.197 1.00 0.00 N ATOM 1250 CA TRP A 79 -3.611 -18.803 -5.787 1.00 0.00 C ATOM 1251 C TRP A 79 -3.566 -20.251 -6.263 1.00 0.00 C ATOM 1252 O TRP A 79 -3.623 -21.182 -5.459 1.00 0.00 O ATOM 1253 CB TRP A 79 -4.859 -18.111 -6.336 1.00 0.00 C ATOM 1254 CG TRP A 79 -6.075 -18.313 -5.483 1.00 0.00 C ATOM 1255 CD1 TRP A 79 -6.409 -17.619 -4.356 1.00 0.00 C ATOM 1256 CD2 TRP A 79 -7.115 -19.275 -5.688 1.00 0.00 C ATOM 1257 NE1 TRP A 79 -7.595 -18.092 -3.848 1.00 0.00 N ATOM 1258 CE2 TRP A 79 -8.049 -19.107 -4.647 1.00 0.00 C ATOM 1259 CE3 TRP A 79 -7.350 -20.261 -6.651 1.00 0.00 C ATOM 1260 CZ2 TRP A 79 -9.196 -19.889 -4.544 1.00 0.00 C ATOM 1261 CZ3 TRP A 79 -8.489 -21.036 -6.546 1.00 0.00 C ATOM 1262 CH2 TRP A 79 -9.401 -20.846 -5.500 1.00 0.00 C ATOM 0 H TRP A 79 -2.495 -17.597 -7.090 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.652 -18.799 -4.698 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.662 -17.043 -6.428 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -5.062 -18.486 -7.339 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -5.827 -16.817 -3.927 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -8.062 -17.743 -3.011 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.654 -20.414 -7.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -9.900 -19.745 -3.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.679 -21.802 -7.283 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.283 -21.467 -5.447 1.00 0.00 H new ATOM 1273 N THR A 80 -3.464 -20.435 -7.576 1.00 0.00 N ATOM 1274 CA THR A 80 -3.413 -21.770 -8.159 1.00 0.00 C ATOM 1275 C THR A 80 -1.973 -22.246 -8.315 1.00 0.00 C ATOM 1276 O THR A 80 -1.033 -21.463 -8.187 1.00 0.00 O ATOM 1277 CB THR A 80 -4.107 -21.810 -9.533 1.00 0.00 C ATOM 1278 OG1 THR A 80 -4.186 -23.160 -10.003 1.00 0.00 O ATOM 1279 CG2 THR A 80 -3.355 -20.958 -10.544 1.00 0.00 C ATOM 0 H THR A 80 -3.415 -19.676 -8.256 1.00 0.00 H new ATOM 0 HA THR A 80 -3.941 -22.435 -7.475 1.00 0.00 H new ATOM 0 HB THR A 80 -5.113 -21.407 -9.419 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.630 -23.177 -10.876 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.864 -21.002 -11.507 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.323 -19.925 -10.197 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.338 -21.336 -10.653 1.00 0.00 H new ATOM 1287 N SER A 81 -1.809 -23.535 -8.595 1.00 0.00 N ATOM 1288 CA SER A 81 -0.483 -24.117 -8.767 1.00 0.00 C ATOM 1289 C SER A 81 -0.549 -25.378 -9.623 1.00 0.00 C ATOM 1290 O SER A 81 -0.348 -26.495 -9.146 1.00 0.00 O ATOM 1291 CB SER A 81 0.134 -24.444 -7.405 1.00 0.00 C ATOM 1292 OG SER A 81 1.550 -24.442 -7.473 1.00 0.00 O ATOM 0 H SER A 81 -2.578 -24.196 -8.708 1.00 0.00 H new ATOM 0 HA SER A 81 0.144 -23.385 -9.277 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.199 -23.714 -6.667 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.216 -25.420 -7.069 1.00 0.00 H new ATOM 0 HG SER A 81 1.920 -24.652 -6.590 1.00 0.00 H new ATOM 1298 N PRO A 82 -0.839 -25.196 -10.920 1.00 0.00 N ATOM 1299 CA PRO A 82 -0.938 -26.307 -11.872 1.00 0.00 C ATOM 1300 C PRO A 82 0.416 -26.944 -12.163 1.00 0.00 C ATOM 1301 O PRO A 82 1.441 -26.516 -11.633 1.00 0.00 O ATOM 1302 CB PRO A 82 -1.499 -25.644 -13.133 1.00 0.00 C ATOM 1303 CG PRO A 82 -1.087 -24.216 -13.026 1.00 0.00 C ATOM 1304 CD PRO A 82 -1.091 -23.893 -11.557 1.00 0.00 C ATOM 0 HA PRO A 82 -1.557 -27.118 -11.489 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.097 -26.105 -14.035 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.584 -25.740 -13.182 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.098 -24.062 -13.457 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.776 -23.569 -13.570 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.319 -23.166 -11.303 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.044 -23.469 -11.241 1.00 0.00 H new ATOM 1312 N ALA A 83 0.413 -27.969 -13.009 1.00 0.00 N ATOM 1313 CA ALA A 83 1.642 -28.664 -13.372 1.00 0.00 C ATOM 1314 C ALA A 83 2.652 -27.704 -13.991 1.00 0.00 C ATOM 1315 O ALA A 83 2.328 -26.958 -14.914 1.00 0.00 O ATOM 1316 CB ALA A 83 1.339 -29.805 -14.331 1.00 0.00 C ATOM 0 H ALA A 83 -0.427 -28.337 -13.456 1.00 0.00 H new ATOM 0 HA ALA A 83 2.081 -29.075 -12.463 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.266 -30.315 -14.594 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.659 -30.511 -13.854 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.875 -29.408 -15.234 1.00 0.00 H new ATOM 1322 N GLU A 84 3.878 -27.729 -13.476 1.00 0.00 N ATOM 1323 CA GLU A 84 4.935 -26.859 -13.978 1.00 0.00 C ATOM 1324 C GLU A 84 5.950 -27.653 -14.796 1.00 0.00 C ATOM 1325 O GLU A 84 6.766 -27.079 -15.517 1.00 0.00 O ATOM 1326 CB GLU A 84 5.639 -26.153 -12.818 1.00 0.00 C ATOM 1327 CG GLU A 84 6.510 -27.076 -11.982 1.00 0.00 C ATOM 1328 CD GLU A 84 7.912 -27.219 -12.541 1.00 0.00 C ATOM 1329 OE1 GLU A 84 8.385 -26.272 -13.205 1.00 0.00 O ATOM 1330 OE2 GLU A 84 8.537 -28.276 -12.315 1.00 0.00 O ATOM 0 H GLU A 84 4.163 -28.342 -12.712 1.00 0.00 H new ATOM 0 HA GLU A 84 4.478 -26.111 -14.625 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.255 -25.347 -13.215 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.889 -25.694 -12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.566 -26.692 -10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.043 -28.059 -11.927 1.00 0.00 H new ATOM 1337 N ASP A 85 5.892 -28.975 -14.677 1.00 0.00 N ATOM 1338 CA ASP A 85 6.805 -29.848 -15.405 1.00 0.00 C ATOM 1339 C ASP A 85 6.759 -29.556 -16.902 1.00 0.00 C ATOM 1340 O ASP A 85 6.167 -30.313 -17.674 1.00 0.00 O ATOM 1341 CB ASP A 85 6.456 -31.315 -15.148 1.00 0.00 C ATOM 1342 CG ASP A 85 6.503 -31.671 -13.675 1.00 0.00 C ATOM 1343 OD1 ASP A 85 5.736 -31.070 -12.894 1.00 0.00 O ATOM 1344 OD2 ASP A 85 7.307 -32.552 -13.304 1.00 0.00 O ATOM 0 H ASP A 85 5.223 -29.465 -14.084 1.00 0.00 H new ATOM 0 HA ASP A 85 7.816 -29.655 -15.046 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.459 -31.522 -15.537 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.151 -31.952 -15.695 1.00 0.00 H new TER 1349 ASP A 85