USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 574 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 14 THR OG1 : rot 174:sc= 1.08 USER MOD Set 1.2: A 17 GLN : amide:sc= 0.994 K(o=2.1,f=0.11) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0.0731 USER MOD Set 2.2: A 10 SER OG : rot 90:sc= 0.00685 USER MOD Single : A 1 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.25) USER MOD Single : A 2 ASN : amide:sc= -0.935 K(o=-0.93,f=0) USER MOD Single : A 8 MET CE :methyl 159:sc= -0.129 (180deg=-0.661) USER MOD Single : A -4 LYS NZ :NH3+ 152:sc= 0.774 (180deg=0.344) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ 170:sc= -0.054 (180deg=-0.249) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 15:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.43) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= -0.017 (180deg=-0.14) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 62:sc= 0.419 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 49 MET CE :methyl 157:sc= -0.333 (180deg=-1.31!) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.021 (180deg=-0.187) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.055 (180deg=-0.347) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.93 K(o=-0.93,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 8.016 -3.662 0.255 1.00 20.00 N ATOM 2 CA MET A -7 7.180 -4.351 1.266 1.00 20.00 C ATOM 3 C MET A -7 5.989 -3.483 1.668 1.00 20.00 C ATOM 4 O MET A -7 5.385 -3.690 2.721 1.00 20.00 O ATOM 5 CB MET A -7 8.019 -4.703 2.505 1.00 20.00 C ATOM 6 CG MET A -7 8.570 -3.498 3.250 1.00 20.00 C ATOM 7 SD MET A -7 9.550 -3.963 4.690 1.00 20.00 S ATOM 8 CE MET A -7 10.019 -2.351 5.316 1.00 20.00 C ATOM 0 H1 MET A -7 8.903 -4.188 0.121 1.00 20.00 H new ATOM 0 H2 MET A -7 7.501 -3.615 -0.648 1.00 20.00 H new ATOM 0 H3 MET A -7 8.231 -2.698 0.581 1.00 20.00 H new ATOM 0 HA MET A -7 6.802 -5.272 0.823 1.00 20.00 H new ATOM 0 HB2 MET A -7 7.406 -5.290 3.189 1.00 20.00 H new ATOM 0 HB3 MET A -7 8.851 -5.337 2.198 1.00 20.00 H new ATOM 0 HG2 MET A -7 9.185 -2.906 2.572 1.00 20.00 H new ATOM 0 HG3 MET A -7 7.743 -2.862 3.567 1.00 20.00 H new ATOM 0 HE1 MET A -7 10.631 -2.472 6.210 1.00 20.00 H new ATOM 0 HE2 MET A -7 10.589 -1.817 4.555 1.00 20.00 H new ATOM 0 HE3 MET A -7 9.123 -1.782 5.564 1.00 20.00 H new ATOM 20 N ASP A -6 5.644 -2.518 0.820 1.00 20.00 N ATOM 21 CA ASP A -6 4.545 -1.602 1.112 1.00 20.00 C ATOM 22 C ASP A -6 3.249 -2.083 0.488 1.00 20.00 C ATOM 23 O ASP A -6 2.159 -1.662 0.884 1.00 20.00 O ATOM 24 CB ASP A -6 4.854 -0.197 0.594 1.00 20.00 C ATOM 25 CG ASP A -6 5.968 0.474 1.361 1.00 20.00 C ATOM 26 OD1 ASP A -6 5.707 0.989 2.464 1.00 20.00 O ATOM 27 OD2 ASP A -6 7.112 0.495 0.862 1.00 20.00 O ATOM 0 H ASP A -6 6.108 -2.350 -0.073 1.00 20.00 H new ATOM 0 HA ASP A -6 4.431 -1.573 2.196 1.00 20.00 H new ATOM 0 HB2 ASP A -6 5.127 -0.254 -0.460 1.00 20.00 H new ATOM 0 HB3 ASP A -6 3.954 0.415 0.657 1.00 20.00 H new ATOM 32 N TYR A -5 3.373 -2.966 -0.486 1.00 20.00 N ATOM 33 CA TYR A -5 2.219 -3.440 -1.232 1.00 20.00 C ATOM 34 C TYR A -5 1.859 -4.858 -0.814 1.00 20.00 C ATOM 35 O TYR A -5 2.704 -5.756 -0.827 1.00 20.00 O ATOM 36 CB TYR A -5 2.495 -3.386 -2.739 1.00 20.00 C ATOM 37 CG TYR A -5 2.915 -2.017 -3.226 1.00 20.00 C ATOM 38 CD1 TYR A -5 1.982 -1.002 -3.395 1.00 20.00 C ATOM 39 CD2 TYR A -5 4.246 -1.739 -3.512 1.00 20.00 C ATOM 40 CE1 TYR A -5 2.363 0.251 -3.836 1.00 20.00 C ATOM 41 CE2 TYR A -5 4.635 -0.489 -3.952 1.00 20.00 C ATOM 42 CZ TYR A -5 3.690 0.502 -4.113 1.00 20.00 C ATOM 43 OH TYR A -5 4.077 1.749 -4.552 1.00 20.00 O ATOM 0 H TYR A -5 4.262 -3.371 -0.780 1.00 20.00 H new ATOM 0 HA TYR A -5 1.375 -2.787 -1.009 1.00 20.00 H new ATOM 0 HB2 TYR A -5 3.276 -4.106 -2.983 1.00 20.00 H new ATOM 0 HB3 TYR A -5 1.598 -3.695 -3.276 1.00 20.00 H new ATOM 0 HD1 TYR A -5 0.942 -1.195 -3.178 1.00 20.00 H new ATOM 0 HD2 TYR A -5 4.989 -2.513 -3.388 1.00 20.00 H new ATOM 0 HE1 TYR A -5 1.625 1.029 -3.963 1.00 20.00 H new ATOM 0 HE2 TYR A -5 5.674 -0.289 -4.169 1.00 20.00 H new ATOM 0 HH TYR A -5 5.046 1.758 -4.700 1.00 20.00 H new ATOM 53 N LYS A -4 0.607 -5.049 -0.435 1.00 20.00 N ATOM 54 CA LYS A -4 0.115 -6.353 -0.018 1.00 20.00 C ATOM 55 C LYS A -4 -1.374 -6.454 -0.309 1.00 20.00 C ATOM 56 O LYS A -4 -2.029 -5.445 -0.574 1.00 20.00 O ATOM 57 CB LYS A -4 0.385 -6.607 1.477 1.00 20.00 C ATOM 58 CG LYS A -4 -0.251 -5.593 2.425 1.00 20.00 C ATOM 59 CD LYS A -4 0.561 -4.310 2.509 1.00 20.00 C ATOM 60 CE LYS A -4 -0.159 -3.246 3.318 1.00 20.00 C ATOM 61 NZ LYS A -4 0.617 -1.980 3.380 1.00 20.00 N ATOM 0 H LYS A -4 -0.095 -4.309 -0.407 1.00 20.00 H new ATOM 0 HA LYS A -4 0.650 -7.116 -0.583 1.00 20.00 H new ATOM 0 HB2 LYS A -4 0.020 -7.602 1.734 1.00 20.00 H new ATOM 0 HB3 LYS A -4 1.463 -6.611 1.641 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -1.261 -5.362 2.086 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -0.341 -6.032 3.419 1.00 20.00 H new ATOM 0 HD2 LYS A -4 1.529 -4.520 2.963 1.00 20.00 H new ATOM 0 HD3 LYS A -4 0.755 -3.935 1.504 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -1.136 -3.052 2.875 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -0.334 -3.615 4.329 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -0.035 -1.178 3.495 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 1.271 -2.013 4.188 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 1.159 -1.862 2.500 1.00 20.00 H new ATOM 75 N ASP A -3 -1.904 -7.663 -0.265 1.00 20.00 N ATOM 76 CA ASP A -3 -3.317 -7.884 -0.535 1.00 20.00 C ATOM 77 C ASP A -3 -3.966 -8.640 0.611 1.00 20.00 C ATOM 78 O ASP A -3 -4.538 -9.717 0.422 1.00 20.00 O ATOM 79 CB ASP A -3 -3.510 -8.638 -1.854 1.00 20.00 C ATOM 80 CG ASP A -3 -3.369 -7.741 -3.066 1.00 20.00 C ATOM 81 OD1 ASP A -3 -4.372 -7.101 -3.451 1.00 20.00 O ATOM 82 OD2 ASP A -3 -2.263 -7.668 -3.642 1.00 20.00 O ATOM 0 H ASP A -3 -1.378 -8.509 -0.045 1.00 20.00 H new ATOM 0 HA ASP A -3 -3.801 -6.912 -0.627 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -2.779 -9.444 -1.917 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -4.497 -9.101 -1.862 1.00 20.00 H new ATOM 87 N ASP A -2 -3.865 -8.068 1.801 1.00 20.00 N ATOM 88 CA ASP A -2 -4.456 -8.659 2.994 1.00 20.00 C ATOM 89 C ASP A -2 -5.864 -8.124 3.199 1.00 20.00 C ATOM 90 O ASP A -2 -6.841 -8.858 3.057 1.00 20.00 O ATOM 91 CB ASP A -2 -3.602 -8.364 4.235 1.00 20.00 C ATOM 92 CG ASP A -2 -2.283 -9.113 4.244 1.00 20.00 C ATOM 93 OD1 ASP A -2 -1.385 -8.762 3.450 1.00 20.00 O ATOM 94 OD2 ASP A -2 -2.132 -10.049 5.059 1.00 20.00 O ATOM 0 H ASP A -2 -3.376 -7.189 1.968 1.00 20.00 H new ATOM 0 HA ASP A -2 -4.497 -9.739 2.853 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -3.405 -7.293 4.286 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -4.168 -8.627 5.129 1.00 20.00 H new ATOM 99 N ASP A -1 -5.942 -6.831 3.508 1.00 20.00 N ATOM 100 CA ASP A -1 -7.207 -6.127 3.752 1.00 20.00 C ATOM 101 C ASP A -1 -8.092 -6.892 4.738 1.00 20.00 C ATOM 102 O ASP A -1 -8.955 -7.677 4.337 1.00 20.00 O ATOM 103 CB ASP A -1 -7.962 -5.886 2.441 1.00 20.00 C ATOM 104 CG ASP A -1 -8.922 -4.712 2.535 1.00 20.00 C ATOM 105 OD1 ASP A -1 -9.902 -4.788 3.307 1.00 20.00 O ATOM 106 OD2 ASP A -1 -8.691 -3.697 1.846 1.00 20.00 O ATOM 0 H ASP A -1 -5.121 -6.233 3.598 1.00 20.00 H new ATOM 0 HA ASP A -1 -6.961 -5.162 4.195 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -7.246 -5.703 1.640 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -8.517 -6.785 2.173 1.00 20.00 H new ATOM 111 N ASP A 0 -7.875 -6.649 6.026 1.00 20.00 N ATOM 112 CA ASP A 0 -8.613 -7.338 7.087 1.00 20.00 C ATOM 113 C ASP A 0 -10.115 -7.093 6.993 1.00 20.00 C ATOM 114 O ASP A 0 -10.916 -7.973 7.309 1.00 20.00 O ATOM 115 CB ASP A 0 -8.113 -6.893 8.465 1.00 20.00 C ATOM 116 CG ASP A 0 -8.984 -7.414 9.594 1.00 20.00 C ATOM 117 OD1 ASP A 0 -8.874 -8.610 9.934 1.00 20.00 O ATOM 118 OD2 ASP A 0 -9.796 -6.634 10.141 1.00 20.00 O ATOM 0 H ASP A 0 -7.189 -5.975 6.366 1.00 20.00 H new ATOM 0 HA ASP A 0 -8.434 -8.405 6.956 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -7.091 -7.243 8.608 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -8.086 -5.804 8.504 1.00 20.00 H new ATOM 123 N LYS A 1 -10.494 -5.906 6.542 1.00 20.00 N ATOM 124 CA LYS A 1 -11.902 -5.528 6.505 1.00 20.00 C ATOM 125 C LYS A 1 -12.583 -6.113 5.274 1.00 20.00 C ATOM 126 O LYS A 1 -13.803 -6.014 5.117 1.00 20.00 O ATOM 127 CB LYS A 1 -12.060 -4.001 6.522 1.00 20.00 C ATOM 128 CG LYS A 1 -11.264 -3.310 7.625 1.00 20.00 C ATOM 129 CD LYS A 1 -11.475 -3.970 8.980 1.00 20.00 C ATOM 130 CE LYS A 1 -10.516 -3.418 10.021 1.00 20.00 C ATOM 131 NZ LYS A 1 -10.494 -4.253 11.247 1.00 20.00 N ATOM 0 H LYS A 1 -9.852 -5.191 6.198 1.00 20.00 H new ATOM 0 HA LYS A 1 -12.382 -5.934 7.396 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -11.747 -3.602 5.557 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -13.115 -3.756 6.641 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -10.204 -3.330 7.373 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -11.559 -2.262 7.682 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -12.502 -3.810 9.308 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -11.334 -5.047 8.888 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -9.512 -3.365 9.599 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -10.807 -2.400 10.280 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -9.645 -4.029 11.805 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -11.343 -4.058 11.815 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -10.478 -5.259 10.982 1.00 20.00 H new ATOM 145 N ASN A 2 -11.772 -6.717 4.403 1.00 20.00 N ATOM 146 CA ASN A 2 -12.254 -7.399 3.202 1.00 20.00 C ATOM 147 C ASN A 2 -12.947 -6.428 2.253 1.00 20.00 C ATOM 148 O ASN A 2 -13.804 -6.825 1.465 1.00 20.00 O ATOM 149 CB ASN A 2 -13.206 -8.549 3.566 1.00 20.00 C ATOM 150 CG ASN A 2 -12.550 -9.633 4.407 1.00 20.00 C ATOM 151 OD1 ASN A 2 -13.207 -10.272 5.229 1.00 20.00 O ATOM 152 ND2 ASN A 2 -11.259 -9.855 4.212 1.00 20.00 N ATOM 0 H ASN A 2 -10.758 -6.746 4.512 1.00 20.00 H new ATOM 0 HA ASN A 2 -11.384 -7.814 2.693 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -14.060 -8.145 4.109 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -13.593 -8.995 2.649 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -10.778 -10.575 4.752 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -10.746 -9.306 3.522 1.00 20.00 H new ATOM 159 N ARG A 3 -12.552 -5.159 2.331 1.00 20.00 N ATOM 160 CA ARG A 3 -13.130 -4.092 1.513 1.00 20.00 C ATOM 161 C ARG A 3 -14.658 -4.084 1.583 1.00 20.00 C ATOM 162 O ARG A 3 -15.338 -3.932 0.567 1.00 20.00 O ATOM 163 CB ARG A 3 -12.664 -4.211 0.057 1.00 20.00 C ATOM 164 CG ARG A 3 -11.170 -3.997 -0.125 1.00 20.00 C ATOM 165 CD ARG A 3 -10.767 -4.052 -1.588 1.00 20.00 C ATOM 166 NE ARG A 3 -9.328 -3.862 -1.763 1.00 20.00 N ATOM 167 CZ ARG A 3 -8.740 -3.640 -2.938 1.00 20.00 C ATOM 168 NH1 ARG A 3 -9.459 -3.571 -4.051 1.00 20.00 N ATOM 169 NH2 ARG A 3 -7.425 -3.482 -2.994 1.00 20.00 N ATOM 0 H ARG A 3 -11.820 -4.840 2.965 1.00 20.00 H new ATOM 0 HA ARG A 3 -12.775 -3.145 1.920 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -12.929 -5.198 -0.321 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -13.203 -3.482 -0.549 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -10.887 -3.031 0.294 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -10.623 -4.758 0.432 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -11.061 -5.013 -2.010 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -11.305 -3.283 -2.142 1.00 20.00 H new ATOM 0 HE ARG A 3 -8.737 -3.902 -0.933 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -10.471 -3.688 -4.012 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -8.999 -3.401 -4.945 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -6.869 -3.531 -2.140 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -6.970 -3.312 -3.891 1.00 20.00 H new ATOM 183 N ALA A 4 -15.194 -4.245 2.784 1.00 20.00 N ATOM 184 CA ALA A 4 -16.636 -4.236 2.985 1.00 20.00 C ATOM 185 C ALA A 4 -17.105 -2.870 3.478 1.00 20.00 C ATOM 186 O ALA A 4 -17.550 -2.734 4.620 1.00 20.00 O ATOM 187 CB ALA A 4 -17.038 -5.329 3.966 1.00 20.00 C ATOM 0 H ALA A 4 -14.651 -4.384 3.636 1.00 20.00 H new ATOM 0 HA ALA A 4 -17.120 -4.433 2.028 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -18.119 -5.311 4.108 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -16.739 -6.300 3.571 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -16.544 -5.159 4.923 1.00 20.00 H new ATOM 193 N LEU A 5 -16.985 -1.863 2.609 1.00 20.00 N ATOM 194 CA LEU A 5 -17.367 -0.487 2.931 1.00 20.00 C ATOM 195 C LEU A 5 -16.723 -0.046 4.243 1.00 20.00 C ATOM 196 O LEU A 5 -17.398 0.335 5.201 1.00 20.00 O ATOM 197 CB LEU A 5 -18.897 -0.349 2.998 1.00 20.00 C ATOM 198 CG LEU A 5 -19.425 1.084 3.164 1.00 20.00 C ATOM 199 CD1 LEU A 5 -18.997 1.962 1.999 1.00 20.00 C ATOM 200 CD2 LEU A 5 -20.939 1.085 3.296 1.00 20.00 C ATOM 0 H LEU A 5 -16.621 -1.979 1.663 1.00 20.00 H new ATOM 0 HA LEU A 5 -17.004 0.166 2.137 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -19.323 -0.771 2.088 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -19.263 -0.951 3.830 1.00 20.00 H new ATOM 0 HG LEU A 5 -18.995 1.495 4.077 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -19.384 2.971 2.142 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -17.909 1.995 1.949 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -19.391 1.551 1.070 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -21.293 2.109 3.413 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -21.382 0.647 2.402 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -21.229 0.499 4.168 1.00 20.00 H new ATOM 212 N SER A 6 -15.405 -0.125 4.286 1.00 20.00 N ATOM 213 CA SER A 6 -14.657 0.241 5.472 1.00 20.00 C ATOM 214 C SER A 6 -13.436 1.080 5.100 1.00 20.00 C ATOM 215 O SER A 6 -12.320 0.568 5.029 1.00 20.00 O ATOM 216 CB SER A 6 -14.225 -1.021 6.219 1.00 20.00 C ATOM 217 OG SER A 6 -15.330 -1.883 6.438 1.00 20.00 O ATOM 0 H SER A 6 -14.829 -0.442 3.506 1.00 20.00 H new ATOM 0 HA SER A 6 -15.297 0.839 6.121 1.00 20.00 H new ATOM 0 HB2 SER A 6 -13.459 -1.543 5.646 1.00 20.00 H new ATOM 0 HB3 SER A 6 -13.777 -0.748 7.174 1.00 20.00 H new ATOM 0 HG SER A 6 -15.030 -2.684 6.916 1.00 20.00 H new ATOM 223 N PRO A 7 -13.635 2.378 4.836 1.00 20.00 N ATOM 224 CA PRO A 7 -12.541 3.287 4.515 1.00 20.00 C ATOM 225 C PRO A 7 -11.709 3.599 5.754 1.00 20.00 C ATOM 226 O PRO A 7 -10.593 3.105 5.907 1.00 20.00 O ATOM 227 CB PRO A 7 -13.237 4.553 3.986 1.00 20.00 C ATOM 228 CG PRO A 7 -14.696 4.224 3.909 1.00 20.00 C ATOM 229 CD PRO A 7 -14.932 3.060 4.831 1.00 20.00 C ATOM 0 HA PRO A 7 -11.849 2.861 3.789 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -13.063 5.400 4.650 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -12.848 4.831 3.006 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -15.301 5.081 4.206 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -14.981 3.971 2.888 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -15.220 3.388 5.830 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -15.728 2.411 4.467 1.00 20.00 H new ATOM 237 N MET A 8 -12.268 4.399 6.648 1.00 20.00 N ATOM 238 CA MET A 8 -11.615 4.704 7.910 1.00 20.00 C ATOM 239 C MET A 8 -12.325 3.962 9.032 1.00 20.00 C ATOM 240 O MET A 8 -11.710 3.534 10.009 1.00 20.00 O ATOM 241 CB MET A 8 -11.633 6.213 8.174 1.00 20.00 C ATOM 242 CG MET A 8 -10.794 6.637 9.369 1.00 20.00 C ATOM 243 SD MET A 8 -9.026 6.372 9.111 1.00 20.00 S ATOM 244 CE MET A 8 -8.704 7.502 7.755 1.00 20.00 C ATOM 0 H MET A 8 -13.174 4.849 6.522 1.00 20.00 H new ATOM 0 HA MET A 8 -10.575 4.382 7.863 1.00 20.00 H new ATOM 0 HB2 MET A 8 -11.272 6.732 7.286 1.00 20.00 H new ATOM 0 HB3 MET A 8 -12.663 6.532 8.333 1.00 20.00 H new ATOM 0 HG2 MET A 8 -10.972 7.692 9.576 1.00 20.00 H new ATOM 0 HG3 MET A 8 -11.116 6.080 10.249 1.00 20.00 H new ATOM 0 HE1 MET A 8 -7.640 7.738 7.723 1.00 20.00 H new ATOM 0 HE2 MET A 8 -9.001 7.037 6.815 1.00 20.00 H new ATOM 0 HE3 MET A 8 -9.275 8.419 7.902 1.00 20.00 H new ATOM 254 N VAL A 9 -13.628 3.802 8.866 1.00 20.00 N ATOM 255 CA VAL A 9 -14.457 3.092 9.821 1.00 20.00 C ATOM 256 C VAL A 9 -15.611 2.416 9.084 1.00 20.00 C ATOM 257 O VAL A 9 -16.094 2.929 8.072 1.00 20.00 O ATOM 258 CB VAL A 9 -14.993 4.050 10.916 1.00 20.00 C ATOM 259 CG1 VAL A 9 -15.772 5.206 10.302 1.00 20.00 C ATOM 260 CG2 VAL A 9 -15.846 3.305 11.933 1.00 20.00 C ATOM 0 H VAL A 9 -14.140 4.163 8.061 1.00 20.00 H new ATOM 0 HA VAL A 9 -13.852 2.333 10.317 1.00 20.00 H new ATOM 0 HB VAL A 9 -14.131 4.464 11.440 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -16.136 5.861 11.094 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -15.120 5.770 9.635 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -16.618 4.815 9.737 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -16.207 4.004 12.687 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -16.696 2.846 11.428 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -15.247 2.531 12.413 1.00 20.00 H new ATOM 270 N SER A 10 -16.031 1.259 9.569 1.00 20.00 N ATOM 271 CA SER A 10 -17.092 0.504 8.921 1.00 20.00 C ATOM 272 C SER A 10 -18.458 1.034 9.360 1.00 20.00 C ATOM 273 O SER A 10 -19.115 0.462 10.234 1.00 20.00 O ATOM 274 CB SER A 10 -16.956 -0.986 9.253 1.00 20.00 C ATOM 275 OG SER A 10 -17.758 -1.792 8.404 1.00 20.00 O ATOM 0 H SER A 10 -15.654 0.822 10.410 1.00 20.00 H new ATOM 0 HA SER A 10 -17.007 0.625 7.841 1.00 20.00 H new ATOM 0 HB2 SER A 10 -15.912 -1.285 9.158 1.00 20.00 H new ATOM 0 HB3 SER A 10 -17.243 -1.154 10.291 1.00 20.00 H new ATOM 0 HG SER A 10 -17.244 -2.041 7.608 1.00 20.00 H new ATOM 281 N GLU A 11 -18.870 2.139 8.755 1.00 20.00 N ATOM 282 CA GLU A 11 -20.143 2.762 9.089 1.00 20.00 C ATOM 283 C GLU A 11 -21.177 2.521 8.003 1.00 20.00 C ATOM 284 O GLU A 11 -20.929 2.764 6.821 1.00 20.00 O ATOM 285 CB GLU A 11 -19.976 4.264 9.319 1.00 20.00 C ATOM 286 CG GLU A 11 -19.290 4.607 10.628 1.00 20.00 C ATOM 287 CD GLU A 11 -20.054 4.101 11.834 1.00 20.00 C ATOM 288 OE1 GLU A 11 -21.029 4.761 12.250 1.00 20.00 O ATOM 289 OE2 GLU A 11 -19.690 3.038 12.374 1.00 20.00 O ATOM 0 H GLU A 11 -18.341 2.623 8.030 1.00 20.00 H new ATOM 0 HA GLU A 11 -20.495 2.302 10.012 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -19.401 4.687 8.496 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -20.958 4.737 9.298 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -18.287 4.180 10.632 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -19.176 5.688 10.702 1.00 20.00 H new ATOM 296 N PHE A 12 -22.337 2.042 8.421 1.00 20.00 N ATOM 297 CA PHE A 12 -23.447 1.795 7.518 1.00 20.00 C ATOM 298 C PHE A 12 -24.646 2.643 7.923 1.00 20.00 C ATOM 299 O PHE A 12 -25.506 2.198 8.683 1.00 20.00 O ATOM 300 CB PHE A 12 -23.832 0.313 7.532 1.00 20.00 C ATOM 301 CG PHE A 12 -22.780 -0.604 6.965 1.00 20.00 C ATOM 302 CD1 PHE A 12 -21.727 -1.050 7.751 1.00 20.00 C ATOM 303 CD2 PHE A 12 -22.849 -1.027 5.645 1.00 20.00 C ATOM 304 CE1 PHE A 12 -20.766 -1.897 7.233 1.00 20.00 C ATOM 305 CE2 PHE A 12 -21.889 -1.873 5.123 1.00 20.00 C ATOM 306 CZ PHE A 12 -20.847 -2.309 5.917 1.00 20.00 C ATOM 0 H PHE A 12 -22.535 1.814 9.395 1.00 20.00 H new ATOM 0 HA PHE A 12 -23.138 2.066 6.508 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -24.044 0.014 8.559 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -24.754 0.183 6.966 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -21.658 -0.731 8.781 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -23.662 -0.691 5.019 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -19.952 -2.237 7.857 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -21.954 -2.193 4.094 1.00 20.00 H new ATOM 0 HZ PHE A 12 -20.097 -2.971 5.510 1.00 20.00 H new ATOM 316 N GLU A 13 -24.686 3.872 7.432 1.00 20.00 N ATOM 317 CA GLU A 13 -25.779 4.784 7.742 1.00 20.00 C ATOM 318 C GLU A 13 -27.059 4.343 7.038 1.00 20.00 C ATOM 319 O GLU A 13 -28.160 4.501 7.567 1.00 20.00 O ATOM 320 CB GLU A 13 -25.420 6.216 7.326 1.00 20.00 C ATOM 321 CG GLU A 13 -26.497 7.241 7.654 1.00 20.00 C ATOM 322 CD GLU A 13 -26.183 8.615 7.099 1.00 20.00 C ATOM 323 OE1 GLU A 13 -26.535 8.881 5.931 1.00 20.00 O ATOM 324 OE2 GLU A 13 -25.576 9.434 7.821 1.00 20.00 O ATOM 0 H GLU A 13 -23.973 4.263 6.816 1.00 20.00 H new ATOM 0 HA GLU A 13 -25.945 4.763 8.819 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -24.493 6.506 7.821 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -25.228 6.235 6.253 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -27.451 6.901 7.252 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -26.612 7.308 8.736 1.00 20.00 H new ATOM 331 N THR A 14 -26.907 3.787 5.849 1.00 20.00 N ATOM 332 CA THR A 14 -28.041 3.342 5.062 1.00 20.00 C ATOM 333 C THR A 14 -28.365 1.877 5.342 1.00 20.00 C ATOM 334 O THR A 14 -27.801 0.971 4.724 1.00 20.00 O ATOM 335 CB THR A 14 -27.770 3.547 3.560 1.00 20.00 C ATOM 336 OG1 THR A 14 -26.432 3.133 3.247 1.00 20.00 O ATOM 337 CG2 THR A 14 -27.961 5.001 3.163 1.00 20.00 C ATOM 0 H THR A 14 -26.001 3.633 5.406 1.00 20.00 H new ATOM 0 HA THR A 14 -28.903 3.943 5.350 1.00 20.00 H new ATOM 0 HB THR A 14 -28.483 2.942 3.000 1.00 20.00 H new ATOM 0 HG1 THR A 14 -26.294 3.178 2.278 1.00 20.00 H new ATOM 0 HG21 THR A 14 -27.763 5.116 2.097 1.00 20.00 H new ATOM 0 HG22 THR A 14 -28.986 5.305 3.377 1.00 20.00 H new ATOM 0 HG23 THR A 14 -27.271 5.627 3.730 1.00 20.00 H new ATOM 345 N ILE A 15 -29.278 1.657 6.281 1.00 20.00 N ATOM 346 CA ILE A 15 -29.714 0.313 6.643 1.00 20.00 C ATOM 347 C ILE A 15 -30.243 -0.436 5.419 1.00 20.00 C ATOM 348 O ILE A 15 -30.010 -1.636 5.259 1.00 20.00 O ATOM 349 CB ILE A 15 -30.812 0.364 7.730 1.00 20.00 C ATOM 350 CG1 ILE A 15 -30.283 1.056 8.991 1.00 20.00 C ATOM 351 CG2 ILE A 15 -31.309 -1.036 8.058 1.00 20.00 C ATOM 352 CD1 ILE A 15 -31.324 1.218 10.080 1.00 20.00 C ATOM 0 H ILE A 15 -29.735 2.400 6.810 1.00 20.00 H new ATOM 0 HA ILE A 15 -28.848 -0.218 7.038 1.00 20.00 H new ATOM 0 HB ILE A 15 -31.652 0.942 7.344 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -29.444 0.482 9.385 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -29.897 2.039 8.720 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -32.081 -0.978 8.825 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -31.723 -1.495 7.160 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -30.479 -1.640 8.424 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -30.876 1.715 10.940 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -32.153 1.818 9.705 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -31.693 0.237 10.380 1.00 20.00 H new ATOM 364 N GLU A 16 -30.936 0.295 4.555 1.00 20.00 N ATOM 365 CA GLU A 16 -31.506 -0.261 3.333 1.00 20.00 C ATOM 366 C GLU A 16 -30.414 -0.840 2.433 1.00 20.00 C ATOM 367 O GLU A 16 -30.604 -1.878 1.799 1.00 20.00 O ATOM 368 CB GLU A 16 -32.287 0.815 2.566 1.00 20.00 C ATOM 369 CG GLU A 16 -33.303 1.576 3.411 1.00 20.00 C ATOM 370 CD GLU A 16 -32.715 2.810 4.075 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.896 2.665 5.004 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.060 3.934 3.657 1.00 20.00 O ATOM 0 H GLU A 16 -31.119 1.290 4.681 1.00 20.00 H new ATOM 0 HA GLU A 16 -32.186 -1.063 3.619 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.580 1.527 2.141 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.806 0.344 1.731 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -34.142 1.873 2.781 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -33.700 0.911 4.178 1.00 20.00 H new ATOM 379 N GLN A 17 -29.268 -0.172 2.389 1.00 20.00 N ATOM 380 CA GLN A 17 -28.152 -0.633 1.572 1.00 20.00 C ATOM 381 C GLN A 17 -27.348 -1.684 2.323 1.00 20.00 C ATOM 382 O GLN A 17 -26.772 -2.589 1.721 1.00 20.00 O ATOM 383 CB GLN A 17 -27.251 0.535 1.163 1.00 20.00 C ATOM 384 CG GLN A 17 -27.946 1.551 0.271 1.00 20.00 C ATOM 385 CD GLN A 17 -27.027 2.673 -0.177 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.084 3.039 0.527 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.294 3.231 -1.347 1.00 20.00 N ATOM 0 H GLN A 17 -29.087 0.688 2.907 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.557 -1.081 0.665 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.890 1.037 2.061 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.376 0.144 0.643 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.345 1.043 -0.607 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -28.795 1.976 0.806 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -28.084 2.900 -1.901 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -26.710 3.992 -1.694 1.00 20.00 H new ATOM 396 N GLU A 18 -27.329 -1.566 3.646 1.00 20.00 N ATOM 397 CA GLU A 18 -26.661 -2.547 4.495 1.00 20.00 C ATOM 398 C GLU A 18 -27.329 -3.912 4.344 1.00 20.00 C ATOM 399 O GLU A 18 -26.703 -4.955 4.537 1.00 20.00 O ATOM 400 CB GLU A 18 -26.707 -2.107 5.962 1.00 20.00 C ATOM 401 CG GLU A 18 -25.998 -3.062 6.910 1.00 20.00 C ATOM 402 CD GLU A 18 -26.455 -2.904 8.342 1.00 20.00 C ATOM 403 OE1 GLU A 18 -27.569 -3.369 8.662 1.00 20.00 O ATOM 404 OE2 GLU A 18 -25.708 -2.331 9.157 1.00 20.00 O ATOM 0 H GLU A 18 -27.769 -0.800 4.155 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.619 -2.621 4.183 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -26.255 -1.119 6.050 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.748 -2.009 6.270 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.176 -4.088 6.587 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -24.923 -2.892 6.855 1.00 20.00 H new ATOM 411 N ASN A 19 -28.608 -3.893 3.985 1.00 20.00 N ATOM 412 CA ASN A 19 -29.370 -5.118 3.768 1.00 20.00 C ATOM 413 C ASN A 19 -28.753 -5.943 2.640 1.00 20.00 C ATOM 414 O ASN A 19 -28.789 -7.171 2.667 1.00 20.00 O ATOM 415 CB ASN A 19 -30.833 -4.786 3.451 1.00 20.00 C ATOM 416 CG ASN A 19 -31.703 -6.022 3.290 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.445 -7.069 3.888 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.747 -5.908 2.485 1.00 20.00 N ATOM 0 H ASN A 19 -29.142 -3.037 3.837 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.338 -5.711 4.682 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.239 -4.164 4.249 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.876 -4.197 2.535 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.370 -6.703 2.342 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.929 -5.025 2.007 1.00 20.00 H new ATOM 425 N SER A 20 -28.152 -5.264 1.668 1.00 20.00 N ATOM 426 CA SER A 20 -27.496 -5.942 0.560 1.00 20.00 C ATOM 427 C SER A 20 -26.217 -6.625 1.035 1.00 20.00 C ATOM 428 O SER A 20 -25.826 -7.667 0.518 1.00 20.00 O ATOM 429 CB SER A 20 -27.190 -4.948 -0.561 1.00 20.00 C ATOM 430 OG SER A 20 -28.366 -4.255 -0.949 1.00 20.00 O ATOM 0 H SER A 20 -28.107 -4.246 1.627 1.00 20.00 H new ATOM 0 HA SER A 20 -28.168 -6.707 0.171 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.435 -4.236 -0.227 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.773 -5.476 -1.419 1.00 20.00 H new ATOM 0 HG SER A 20 -28.151 -3.622 -1.666 1.00 20.00 H new ATOM 436 N TYR A 21 -25.581 -6.041 2.043 1.00 20.00 N ATOM 437 CA TYR A 21 -24.394 -6.637 2.640 1.00 20.00 C ATOM 438 C TYR A 21 -24.795 -7.836 3.487 1.00 20.00 C ATOM 439 O TYR A 21 -24.120 -8.865 3.500 1.00 20.00 O ATOM 440 CB TYR A 21 -23.641 -5.612 3.497 1.00 20.00 C ATOM 441 CG TYR A 21 -23.031 -4.473 2.702 1.00 20.00 C ATOM 442 CD1 TYR A 21 -23.812 -3.413 2.255 1.00 20.00 C ATOM 443 CD2 TYR A 21 -21.672 -4.454 2.407 1.00 20.00 C ATOM 444 CE1 TYR A 21 -23.259 -2.371 1.537 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.113 -3.414 1.688 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.912 -2.376 1.256 1.00 20.00 C ATOM 447 OH TYR A 21 -21.359 -1.337 0.542 1.00 20.00 O ATOM 0 H TYR A 21 -25.867 -5.157 2.463 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.729 -6.965 1.841 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.326 -5.199 4.237 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.850 -6.123 4.046 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -24.870 -3.404 2.473 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -21.043 -5.265 2.745 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -23.881 -1.556 1.198 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -20.056 -3.414 1.466 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.986 -0.584 0.521 1.00 20.00 H new ATOM 457 N ASN A 22 -25.924 -7.700 4.173 1.00 20.00 N ATOM 458 CA ASN A 22 -26.475 -8.785 4.977 1.00 20.00 C ATOM 459 C ASN A 22 -26.996 -9.900 4.085 1.00 20.00 C ATOM 460 O ASN A 22 -27.123 -11.048 4.516 1.00 20.00 O ATOM 461 CB ASN A 22 -27.596 -8.277 5.888 1.00 20.00 C ATOM 462 CG ASN A 22 -27.074 -7.591 7.134 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.859 -8.231 8.162 1.00 20.00 O ATOM 464 ND2 ASN A 22 -26.874 -6.285 7.059 1.00 20.00 N ATOM 0 H ASN A 22 -26.479 -6.844 4.188 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.673 -9.179 5.602 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.223 -7.581 5.331 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.230 -9.115 6.178 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -26.530 -5.774 7.872 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -27.064 -5.789 6.188 1.00 20.00 H new ATOM 471 N GLU A 23 -27.289 -9.553 2.840 1.00 20.00 N ATOM 472 CA GLU A 23 -27.757 -10.516 1.858 1.00 20.00 C ATOM 473 C GLU A 23 -26.652 -11.520 1.549 1.00 20.00 C ATOM 474 O GLU A 23 -26.901 -12.715 1.407 1.00 20.00 O ATOM 475 CB GLU A 23 -28.190 -9.797 0.579 1.00 20.00 C ATOM 476 CG GLU A 23 -29.058 -10.640 -0.335 1.00 20.00 C ATOM 477 CD GLU A 23 -30.409 -10.937 0.279 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.318 -10.088 0.163 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.566 -12.019 0.881 1.00 20.00 O ATOM 0 H GLU A 23 -27.209 -8.600 2.485 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.616 -11.049 2.266 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.735 -8.892 0.849 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.301 -9.483 0.032 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.197 -10.120 -1.283 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -28.547 -11.577 -0.557 1.00 20.00 H new ATOM 486 N TRP A 24 -25.423 -11.032 1.465 1.00 20.00 N ATOM 487 CA TRP A 24 -24.280 -11.901 1.229 1.00 20.00 C ATOM 488 C TRP A 24 -23.963 -12.702 2.486 1.00 20.00 C ATOM 489 O TRP A 24 -23.447 -13.819 2.416 1.00 20.00 O ATOM 490 CB TRP A 24 -23.058 -11.087 0.791 1.00 20.00 C ATOM 491 CG TRP A 24 -23.303 -10.279 -0.446 1.00 20.00 C ATOM 492 CD1 TRP A 24 -23.884 -10.710 -1.604 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.965 -8.902 -0.654 1.00 20.00 C ATOM 494 NE1 TRP A 24 -23.941 -9.683 -2.513 1.00 20.00 N ATOM 495 CE2 TRP A 24 -23.383 -8.562 -1.955 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.357 -7.922 0.134 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -23.210 -7.286 -2.483 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -22.185 -6.655 -0.392 1.00 20.00 C ATOM 499 CH2 TRP A 24 -22.611 -6.347 -1.689 1.00 20.00 C ATOM 0 H TRP A 24 -25.192 -10.043 1.556 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.532 -12.592 0.425 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.764 -10.420 1.601 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.222 -11.764 0.616 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -24.246 -11.712 -1.779 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -24.335 -9.744 -3.452 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -22.027 -8.150 1.137 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -23.537 -7.046 -3.484 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.714 -5.890 0.208 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -22.464 -5.348 -2.071 1.00 20.00 H new ATOM 510 N LEU A 25 -24.313 -12.139 3.639 1.00 20.00 N ATOM 511 CA LEU A 25 -24.108 -12.810 4.915 1.00 20.00 C ATOM 512 C LEU A 25 -25.096 -13.959 5.090 1.00 20.00 C ATOM 513 O LEU A 25 -24.967 -14.760 6.010 1.00 20.00 O ATOM 514 CB LEU A 25 -24.243 -11.823 6.077 1.00 20.00 C ATOM 515 CG LEU A 25 -23.194 -10.703 6.114 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.445 -9.778 7.295 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.787 -11.283 6.186 1.00 20.00 C ATOM 0 H LEU A 25 -24.741 -11.216 3.714 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.097 -13.217 4.918 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.233 -11.369 6.033 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.189 -12.380 7.013 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.280 -10.125 5.194 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.692 -8.990 7.306 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.436 -9.332 7.204 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -23.387 -10.348 8.222 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -21.060 -10.471 6.211 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.688 -11.887 7.088 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.605 -11.906 5.310 1.00 20.00 H new ATOM 529 N ARG A 26 -26.088 -14.030 4.208 1.00 20.00 N ATOM 530 CA ARG A 26 -27.022 -15.149 4.199 1.00 20.00 C ATOM 531 C ARG A 26 -26.307 -16.436 3.803 1.00 20.00 C ATOM 532 O ARG A 26 -26.551 -17.495 4.375 1.00 20.00 O ATOM 533 CB ARG A 26 -28.185 -14.887 3.239 1.00 20.00 C ATOM 534 CG ARG A 26 -29.216 -13.897 3.756 1.00 20.00 C ATOM 535 CD ARG A 26 -29.901 -14.411 5.014 1.00 20.00 C ATOM 536 NE ARG A 26 -31.064 -13.604 5.371 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.918 -13.916 6.346 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.727 -15.003 7.084 1.00 20.00 N ATOM 539 NH2 ARG A 26 -32.961 -13.138 6.587 1.00 20.00 N ATOM 0 H ARG A 26 -26.265 -13.326 3.491 1.00 20.00 H new ATOM 0 HA ARG A 26 -27.422 -15.257 5.207 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.785 -14.516 2.295 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.683 -15.833 3.024 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.732 -12.943 3.968 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.963 -13.711 2.984 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.210 -15.445 4.862 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.190 -14.409 5.841 1.00 20.00 H new ATOM 0 HE ARG A 26 -31.234 -12.749 4.842 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -30.923 -15.605 6.907 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.384 -15.236 7.828 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -33.112 -12.299 6.027 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -33.614 -13.377 7.333 1.00 20.00 H new ATOM 553 N ALA A 27 -25.411 -16.330 2.832 1.00 20.00 N ATOM 554 CA ALA A 27 -24.648 -17.479 2.368 1.00 20.00 C ATOM 555 C ALA A 27 -23.403 -17.668 3.218 1.00 20.00 C ATOM 556 O ALA A 27 -22.972 -18.788 3.484 1.00 20.00 O ATOM 557 CB ALA A 27 -24.268 -17.300 0.912 1.00 20.00 C ATOM 0 H ALA A 27 -25.195 -15.458 2.350 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.269 -18.370 2.462 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.697 -18.166 0.576 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -25.171 -17.204 0.309 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.662 -16.401 0.802 1.00 20.00 H new ATOM 563 N LYS A 28 -22.846 -16.553 3.657 1.00 20.00 N ATOM 564 CA LYS A 28 -21.637 -16.553 4.471 1.00 20.00 C ATOM 565 C LYS A 28 -21.958 -16.800 5.942 1.00 20.00 C ATOM 566 O LYS A 28 -21.071 -16.743 6.788 1.00 20.00 O ATOM 567 CB LYS A 28 -20.877 -15.233 4.317 1.00 20.00 C ATOM 568 CG LYS A 28 -20.293 -15.016 2.927 1.00 20.00 C ATOM 569 CD LYS A 28 -19.575 -13.679 2.821 1.00 20.00 C ATOM 570 CE LYS A 28 -18.425 -13.568 3.818 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.414 -14.643 3.628 1.00 20.00 N ATOM 0 H LYS A 28 -23.216 -15.623 3.461 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.005 -17.367 4.116 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.550 -14.408 4.550 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -20.070 -15.202 5.049 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.597 -15.822 2.695 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -21.091 -15.060 2.186 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.191 -13.553 1.809 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.285 -12.871 2.995 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -17.944 -12.596 3.710 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.820 -13.617 4.833 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.574 -14.436 4.205 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -17.818 -15.555 3.920 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.142 -14.690 2.625 1.00 20.00 H new ATOM 585 N VAL A 29 -23.233 -17.049 6.235 1.00 20.00 N ATOM 586 CA VAL A 29 -23.714 -17.225 7.609 1.00 20.00 C ATOM 587 C VAL A 29 -22.897 -18.265 8.384 1.00 20.00 C ATOM 588 O VAL A 29 -22.772 -18.184 9.604 1.00 20.00 O ATOM 589 CB VAL A 29 -25.211 -17.625 7.626 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.428 -19.000 7.007 1.00 20.00 C ATOM 591 CG2 VAL A 29 -25.770 -17.579 9.040 1.00 20.00 C ATOM 0 H VAL A 29 -23.964 -17.135 5.529 1.00 20.00 H new ATOM 0 HA VAL A 29 -23.590 -16.262 8.105 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.751 -16.898 7.020 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.489 -19.249 7.036 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.085 -18.991 5.972 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -24.866 -19.745 7.570 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -26.822 -17.864 9.025 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.216 -18.272 9.673 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -25.673 -16.568 9.437 1.00 20.00 H new ATOM 601 N ALA A 30 -22.323 -19.225 7.671 1.00 20.00 N ATOM 602 CA ALA A 30 -21.539 -20.284 8.296 1.00 20.00 C ATOM 603 C ALA A 30 -20.220 -19.745 8.839 1.00 20.00 C ATOM 604 O ALA A 30 -19.617 -20.327 9.744 1.00 20.00 O ATOM 605 CB ALA A 30 -21.285 -21.397 7.297 1.00 20.00 C ATOM 0 H ALA A 30 -22.386 -19.293 6.655 1.00 20.00 H new ATOM 0 HA ALA A 30 -22.108 -20.682 9.136 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -20.699 -22.184 7.771 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -22.237 -21.807 6.959 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -20.737 -21.001 6.442 1.00 20.00 H new ATOM 611 N THR A 31 -19.787 -18.625 8.291 1.00 20.00 N ATOM 612 CA THR A 31 -18.546 -17.996 8.689 1.00 20.00 C ATOM 613 C THR A 31 -18.825 -16.558 9.127 1.00 20.00 C ATOM 614 O THR A 31 -18.541 -15.604 8.401 1.00 20.00 O ATOM 615 CB THR A 31 -17.541 -18.012 7.519 1.00 20.00 C ATOM 616 OG1 THR A 31 -17.584 -19.290 6.867 1.00 20.00 O ATOM 617 CG2 THR A 31 -16.127 -17.748 8.007 1.00 20.00 C ATOM 0 H THR A 31 -20.289 -18.126 7.556 1.00 20.00 H new ATOM 0 HA THR A 31 -18.113 -18.549 9.522 1.00 20.00 H new ATOM 0 HB THR A 31 -17.820 -17.223 6.820 1.00 20.00 H new ATOM 0 HG1 THR A 31 -16.947 -19.299 6.123 1.00 20.00 H new ATOM 0 HG21 THR A 31 -15.441 -17.765 7.160 1.00 20.00 H new ATOM 0 HG22 THR A 31 -16.085 -16.771 8.488 1.00 20.00 H new ATOM 0 HG23 THR A 31 -15.839 -18.518 8.723 1.00 20.00 H new ATOM 625 N SER A 32 -19.408 -16.408 10.309 1.00 20.00 N ATOM 626 CA SER A 32 -19.847 -15.102 10.781 1.00 20.00 C ATOM 627 C SER A 32 -18.725 -14.343 11.486 1.00 20.00 C ATOM 628 O SER A 32 -18.512 -14.502 12.691 1.00 20.00 O ATOM 629 CB SER A 32 -21.046 -15.256 11.720 1.00 20.00 C ATOM 630 OG SER A 32 -22.125 -15.899 11.064 1.00 20.00 O ATOM 0 H SER A 32 -19.588 -17.174 10.958 1.00 20.00 H new ATOM 0 HA SER A 32 -20.141 -14.520 9.907 1.00 20.00 H new ATOM 0 HB2 SER A 32 -20.754 -15.833 12.598 1.00 20.00 H new ATOM 0 HB3 SER A 32 -21.363 -14.275 12.074 1.00 20.00 H new ATOM 0 HG SER A 32 -21.855 -16.803 10.799 1.00 20.00 H new ATOM 636 N LEU A 33 -17.998 -13.529 10.728 1.00 20.00 N ATOM 637 CA LEU A 33 -17.023 -12.614 11.309 1.00 20.00 C ATOM 638 C LEU A 33 -17.701 -11.287 11.620 1.00 20.00 C ATOM 639 O LEU A 33 -17.375 -10.624 12.605 1.00 20.00 O ATOM 640 CB LEU A 33 -15.824 -12.384 10.371 1.00 20.00 C ATOM 641 CG LEU A 33 -14.815 -13.538 10.271 1.00 20.00 C ATOM 642 CD1 LEU A 33 -15.415 -14.733 9.552 1.00 20.00 C ATOM 643 CD2 LEU A 33 -13.550 -13.076 9.562 1.00 20.00 C ATOM 0 H LEU A 33 -18.066 -13.484 9.711 1.00 20.00 H new ATOM 0 HA LEU A 33 -16.640 -13.063 12.226 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -16.205 -12.174 9.372 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -15.294 -11.492 10.704 1.00 20.00 H new ATOM 0 HG LEU A 33 -14.559 -13.848 11.284 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -14.677 -15.533 9.497 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -16.291 -15.084 10.098 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -15.709 -14.441 8.544 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -12.845 -13.905 9.499 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -13.800 -12.735 8.557 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -13.098 -12.257 10.121 1.00 20.00 H new ATOM 655 N ALA A 34 -18.661 -10.917 10.784 1.00 20.00 N ATOM 656 CA ALA A 34 -19.423 -9.697 10.987 1.00 20.00 C ATOM 657 C ALA A 34 -20.735 -10.014 11.693 1.00 20.00 C ATOM 658 O ALA A 34 -21.812 -9.934 11.103 1.00 20.00 O ATOM 659 CB ALA A 34 -19.676 -9.000 9.658 1.00 20.00 C ATOM 0 H ALA A 34 -18.930 -11.448 9.956 1.00 20.00 H new ATOM 0 HA ALA A 34 -18.846 -9.020 11.617 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -20.248 -8.088 9.829 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -18.723 -8.749 9.192 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -20.238 -9.663 9.001 1.00 20.00 H new ATOM 665 N ASP A 35 -20.632 -10.390 12.959 1.00 20.00 N ATOM 666 CA ASP A 35 -21.797 -10.780 13.741 1.00 20.00 C ATOM 667 C ASP A 35 -22.630 -9.556 14.120 1.00 20.00 C ATOM 668 O ASP A 35 -22.086 -8.482 14.396 1.00 20.00 O ATOM 669 CB ASP A 35 -21.366 -11.537 15.004 1.00 20.00 C ATOM 670 CG ASP A 35 -20.613 -10.664 15.985 1.00 20.00 C ATOM 671 OD1 ASP A 35 -19.425 -10.365 15.735 1.00 20.00 O ATOM 672 OD2 ASP A 35 -21.201 -10.276 17.015 1.00 20.00 O ATOM 0 H ASP A 35 -19.750 -10.434 13.469 1.00 20.00 H new ATOM 0 HA ASP A 35 -22.411 -11.440 13.128 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -22.249 -11.948 15.494 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -20.737 -12.381 14.719 1.00 20.00 H new ATOM 677 N PRO A 36 -23.962 -9.701 14.131 1.00 20.00 N ATOM 678 CA PRO A 36 -24.879 -8.617 14.476 1.00 20.00 C ATOM 679 C PRO A 36 -25.131 -8.510 15.981 1.00 20.00 C ATOM 680 O PRO A 36 -26.221 -8.128 16.412 1.00 20.00 O ATOM 681 CB PRO A 36 -26.156 -9.023 13.748 1.00 20.00 C ATOM 682 CG PRO A 36 -26.142 -10.515 13.785 1.00 20.00 C ATOM 683 CD PRO A 36 -24.689 -10.935 13.780 1.00 20.00 C ATOM 0 HA PRO A 36 -24.489 -7.639 14.194 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -27.041 -8.621 14.242 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -26.166 -8.650 12.724 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -26.649 -10.885 14.676 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -26.668 -10.929 12.924 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -24.500 -11.729 14.502 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -24.386 -11.313 12.804 1.00 20.00 H new ATOM 691 N ARG A 37 -24.109 -8.859 16.765 1.00 20.00 N ATOM 692 CA ARG A 37 -24.170 -8.800 18.228 1.00 20.00 C ATOM 693 C ARG A 37 -25.278 -9.700 18.775 1.00 20.00 C ATOM 694 O ARG A 37 -26.328 -9.219 19.194 1.00 20.00 O ATOM 695 CB ARG A 37 -24.376 -7.355 18.700 1.00 20.00 C ATOM 696 CG ARG A 37 -23.259 -6.421 18.276 1.00 20.00 C ATOM 697 CD ARG A 37 -23.569 -4.974 18.616 1.00 20.00 C ATOM 698 NE ARG A 37 -22.527 -4.071 18.130 1.00 20.00 N ATOM 699 CZ ARG A 37 -22.674 -2.753 18.012 1.00 20.00 C ATOM 700 NH1 ARG A 37 -23.807 -2.173 18.385 1.00 20.00 N ATOM 701 NH2 ARG A 37 -21.684 -2.014 17.528 1.00 20.00 N ATOM 0 H ARG A 37 -23.215 -9.191 16.404 1.00 20.00 H new ATOM 0 HA ARG A 37 -23.219 -9.164 18.615 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -25.321 -6.982 18.305 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -24.457 -7.343 19.787 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -22.332 -6.718 18.766 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -23.096 -6.514 17.202 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -24.527 -4.694 18.178 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -23.669 -4.867 19.696 1.00 20.00 H new ATOM 0 HE ARG A 37 -21.630 -4.477 17.864 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -24.568 -2.737 18.763 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -23.917 -1.163 18.294 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -20.809 -2.456 17.246 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -21.798 -1.004 17.438 1.00 20.00 H new ATOM 715 N PRO A 38 -25.055 -11.023 18.782 1.00 20.00 N ATOM 716 CA PRO A 38 -26.046 -11.987 19.271 1.00 20.00 C ATOM 717 C PRO A 38 -26.214 -11.914 20.783 1.00 20.00 C ATOM 718 O PRO A 38 -25.240 -11.708 21.514 1.00 20.00 O ATOM 719 CB PRO A 38 -25.456 -13.340 18.864 1.00 20.00 C ATOM 720 CG PRO A 38 -23.987 -13.106 18.806 1.00 20.00 C ATOM 721 CD PRO A 38 -23.819 -11.688 18.326 1.00 20.00 C ATOM 0 HA PRO A 38 -27.038 -11.801 18.860 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -25.706 -14.115 19.588 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -25.844 -13.668 17.899 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -23.529 -13.245 19.786 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -23.505 -13.809 18.127 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -22.931 -11.222 18.753 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -23.714 -11.641 17.242 1.00 20.00 H new ATOM 729 N ALA A 39 -27.453 -12.078 21.238 1.00 20.00 N ATOM 730 CA ALA A 39 -27.778 -12.068 22.660 1.00 20.00 C ATOM 731 C ALA A 39 -27.244 -10.819 23.351 1.00 20.00 C ATOM 732 O ALA A 39 -26.379 -10.895 24.226 1.00 20.00 O ATOM 733 CB ALA A 39 -27.244 -13.319 23.337 1.00 20.00 C ATOM 0 H ALA A 39 -28.260 -12.222 20.631 1.00 20.00 H new ATOM 0 HA ALA A 39 -28.864 -12.055 22.749 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -27.496 -13.295 24.397 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -27.692 -14.200 22.878 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -26.161 -13.361 23.222 1.00 20.00 H new ATOM 739 N ILE A 40 -27.757 -9.671 22.950 1.00 20.00 N ATOM 740 CA ILE A 40 -27.365 -8.417 23.567 1.00 20.00 C ATOM 741 C ILE A 40 -27.989 -8.287 24.950 1.00 20.00 C ATOM 742 O ILE A 40 -29.165 -8.598 25.141 1.00 20.00 O ATOM 743 CB ILE A 40 -27.748 -7.199 22.702 1.00 20.00 C ATOM 744 CG1 ILE A 40 -29.148 -7.365 22.105 1.00 20.00 C ATOM 745 CG2 ILE A 40 -26.714 -6.988 21.609 1.00 20.00 C ATOM 746 CD1 ILE A 40 -29.602 -6.179 21.288 1.00 20.00 C ATOM 0 H ILE A 40 -28.444 -9.580 22.202 1.00 20.00 H new ATOM 0 HA ILE A 40 -26.279 -8.430 23.658 1.00 20.00 H new ATOM 0 HB ILE A 40 -27.765 -6.316 23.340 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -29.162 -8.255 21.476 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -29.861 -7.533 22.913 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -26.994 -6.126 21.004 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -25.738 -6.812 22.061 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -26.667 -7.875 20.977 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -30.602 -6.368 20.897 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -29.621 -5.289 21.917 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -28.912 -6.023 20.459 1.00 20.00 H new ATOM 758 N PRO A 41 -27.187 -7.857 25.940 1.00 20.00 N ATOM 759 CA PRO A 41 -27.644 -7.681 27.325 1.00 20.00 C ATOM 760 C PRO A 41 -28.879 -6.790 27.406 1.00 20.00 C ATOM 761 O PRO A 41 -29.032 -5.849 26.625 1.00 20.00 O ATOM 762 CB PRO A 41 -26.454 -7.002 28.008 1.00 20.00 C ATOM 763 CG PRO A 41 -25.274 -7.402 27.198 1.00 20.00 C ATOM 764 CD PRO A 41 -25.763 -7.511 25.783 1.00 20.00 C ATOM 0 HA PRO A 41 -27.934 -8.625 27.786 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -26.573 -5.919 28.026 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -26.353 -7.328 29.043 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -24.476 -6.664 27.280 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -24.866 -8.352 27.544 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -25.634 -6.575 25.240 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -25.222 -8.278 25.229 1.00 20.00 H new ATOM 772 N HIS A 42 -29.743 -7.086 28.374 1.00 20.00 N ATOM 773 CA HIS A 42 -31.041 -6.426 28.492 1.00 20.00 C ATOM 774 C HIS A 42 -30.871 -4.932 28.744 1.00 20.00 C ATOM 775 O HIS A 42 -31.750 -4.137 28.411 1.00 20.00 O ATOM 776 CB HIS A 42 -31.863 -7.067 29.616 1.00 20.00 C ATOM 777 CG HIS A 42 -33.296 -6.620 29.650 1.00 20.00 C ATOM 778 ND1 HIS A 42 -33.821 -5.843 30.659 1.00 20.00 N ATOM 779 CD2 HIS A 42 -34.317 -6.857 28.793 1.00 20.00 C ATOM 780 CE1 HIS A 42 -35.100 -5.625 30.424 1.00 20.00 C ATOM 781 NE2 HIS A 42 -35.428 -6.228 29.297 1.00 20.00 N ATOM 0 H HIS A 42 -29.565 -7.786 29.095 1.00 20.00 H new ATOM 0 HA HIS A 42 -31.575 -6.553 27.550 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -31.833 -8.151 29.503 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -31.397 -6.833 30.573 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -34.267 -7.434 27.882 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -35.767 -5.050 31.049 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -36.355 -6.227 28.871 1.00 20.00 H new ATOM 790 N ASP A 43 -29.738 -4.562 29.329 1.00 20.00 N ATOM 791 CA ASP A 43 -29.417 -3.158 29.560 1.00 20.00 C ATOM 792 C ASP A 43 -29.113 -2.460 28.241 1.00 20.00 C ATOM 793 O ASP A 43 -29.532 -1.325 28.015 1.00 20.00 O ATOM 794 CB ASP A 43 -28.230 -3.024 30.523 1.00 20.00 C ATOM 795 CG ASP A 43 -27.771 -1.587 30.696 1.00 20.00 C ATOM 796 OD1 ASP A 43 -28.335 -0.863 31.547 1.00 20.00 O ATOM 797 OD2 ASP A 43 -26.832 -1.175 29.983 1.00 20.00 O ATOM 0 H ASP A 43 -29.025 -5.216 29.653 1.00 20.00 H new ATOM 0 HA ASP A 43 -30.283 -2.679 30.016 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -28.509 -3.431 31.495 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -27.399 -3.624 30.153 1.00 20.00 H new ATOM 802 N GLU A 44 -28.412 -3.159 27.355 1.00 20.00 N ATOM 803 CA GLU A 44 -28.050 -2.601 26.060 1.00 20.00 C ATOM 804 C GLU A 44 -29.280 -2.519 25.163 1.00 20.00 C ATOM 805 O GLU A 44 -29.436 -1.574 24.385 1.00 20.00 O ATOM 806 CB GLU A 44 -26.946 -3.436 25.396 1.00 20.00 C ATOM 807 CG GLU A 44 -26.414 -2.818 24.113 1.00 20.00 C ATOM 808 CD GLU A 44 -25.176 -3.514 23.584 1.00 20.00 C ATOM 809 OE1 GLU A 44 -24.152 -3.548 24.299 1.00 20.00 O ATOM 810 OE2 GLU A 44 -25.212 -4.011 22.441 1.00 20.00 O ATOM 0 H GLU A 44 -28.084 -4.112 27.511 1.00 20.00 H new ATOM 0 HA GLU A 44 -27.662 -1.594 26.211 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -26.123 -3.562 26.099 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -27.334 -4.431 25.178 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -27.194 -2.849 23.352 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -26.184 -1.768 24.291 1.00 20.00 H new ATOM 817 N VAL A 45 -30.159 -3.507 25.293 1.00 20.00 N ATOM 818 CA VAL A 45 -31.428 -3.508 24.577 1.00 20.00 C ATOM 819 C VAL A 45 -32.254 -2.290 24.972 1.00 20.00 C ATOM 820 O VAL A 45 -32.791 -1.580 24.121 1.00 20.00 O ATOM 821 CB VAL A 45 -32.244 -4.786 24.871 1.00 20.00 C ATOM 822 CG1 VAL A 45 -33.582 -4.764 24.148 1.00 20.00 C ATOM 823 CG2 VAL A 45 -31.457 -6.023 24.485 1.00 20.00 C ATOM 0 H VAL A 45 -30.014 -4.321 25.891 1.00 20.00 H new ATOM 0 HA VAL A 45 -31.202 -3.477 23.511 1.00 20.00 H new ATOM 0 HB VAL A 45 -32.439 -4.816 25.943 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -34.133 -5.677 24.375 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -34.159 -3.900 24.477 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -33.414 -4.699 23.073 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -32.049 -6.913 24.700 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -31.226 -5.990 23.420 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -30.530 -6.057 25.057 1.00 20.00 H new ATOM 833 N GLU A 46 -32.312 -2.041 26.272 1.00 20.00 N ATOM 834 CA GLU A 46 -33.093 -0.940 26.822 1.00 20.00 C ATOM 835 C GLU A 46 -32.559 0.414 26.349 1.00 20.00 C ATOM 836 O GLU A 46 -33.299 1.393 26.268 1.00 20.00 O ATOM 837 CB GLU A 46 -33.076 -1.005 28.349 1.00 20.00 C ATOM 838 CG GLU A 46 -33.992 0.003 29.016 1.00 20.00 C ATOM 839 CD GLU A 46 -33.898 -0.045 30.521 1.00 20.00 C ATOM 840 OE1 GLU A 46 -34.528 -0.931 31.129 1.00 20.00 O ATOM 841 OE2 GLU A 46 -33.193 0.804 31.105 1.00 20.00 O ATOM 0 H GLU A 46 -31.821 -2.594 26.974 1.00 20.00 H new ATOM 0 HA GLU A 46 -34.118 -1.039 26.464 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -33.365 -2.008 28.664 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -32.057 -0.842 28.699 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -33.739 1.005 28.670 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -35.021 -0.188 28.712 1.00 20.00 H new ATOM 848 N ARG A 47 -31.270 0.471 26.053 1.00 20.00 N ATOM 849 CA ARG A 47 -30.664 1.702 25.568 1.00 20.00 C ATOM 850 C ARG A 47 -30.837 1.845 24.059 1.00 20.00 C ATOM 851 O ARG A 47 -31.344 2.858 23.578 1.00 20.00 O ATOM 852 CB ARG A 47 -29.179 1.745 25.927 1.00 20.00 C ATOM 853 CG ARG A 47 -28.913 1.623 27.417 1.00 20.00 C ATOM 854 CD ARG A 47 -27.428 1.644 27.727 1.00 20.00 C ATOM 855 NE ARG A 47 -27.169 1.309 29.121 1.00 20.00 N ATOM 856 CZ ARG A 47 -26.696 2.160 30.023 1.00 20.00 C ATOM 857 NH1 ARG A 47 -26.406 3.409 29.683 1.00 20.00 N ATOM 858 NH2 ARG A 47 -26.510 1.754 31.271 1.00 20.00 N ATOM 0 H ARG A 47 -30.626 -0.315 26.139 1.00 20.00 H new ATOM 0 HA ARG A 47 -31.173 2.535 26.053 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -28.664 0.938 25.407 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -28.753 2.681 25.565 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -29.406 2.441 27.943 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -29.349 0.696 27.790 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -26.910 0.937 27.079 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -27.023 2.632 27.508 1.00 20.00 H new ATOM 0 HE ARG A 47 -27.365 0.355 29.425 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -26.546 3.722 28.722 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -26.043 4.057 30.382 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -26.730 0.793 31.533 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -26.147 2.403 31.970 1.00 20.00 H new ATOM 872 N ARG A 48 -30.428 0.822 23.318 1.00 20.00 N ATOM 873 CA ARG A 48 -30.399 0.894 21.860 1.00 20.00 C ATOM 874 C ARG A 48 -31.730 0.491 21.233 1.00 20.00 C ATOM 875 O ARG A 48 -32.360 1.286 20.536 1.00 20.00 O ATOM 876 CB ARG A 48 -29.277 0.014 21.293 1.00 20.00 C ATOM 877 CG ARG A 48 -27.880 0.623 21.380 1.00 20.00 C ATOM 878 CD ARG A 48 -27.373 0.742 22.810 1.00 20.00 C ATOM 879 NE ARG A 48 -26.009 1.267 22.855 1.00 20.00 N ATOM 880 CZ ARG A 48 -25.134 0.991 23.819 1.00 20.00 C ATOM 881 NH1 ARG A 48 -25.495 0.243 24.857 1.00 20.00 N ATOM 882 NH2 ARG A 48 -23.900 1.472 23.750 1.00 20.00 N ATOM 0 H ARG A 48 -30.111 -0.068 23.702 1.00 20.00 H new ATOM 0 HA ARG A 48 -30.210 1.936 21.604 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -29.277 -0.938 21.825 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -29.498 -0.204 20.248 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -27.186 0.011 20.804 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -27.891 1.611 20.920 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -28.034 1.396 23.378 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -27.403 -0.236 23.290 1.00 20.00 H new ATOM 0 HE ARG A 48 -25.709 1.884 22.100 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -26.446 -0.122 24.917 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -24.821 0.034 25.594 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -23.623 2.053 22.959 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -23.228 1.261 24.488 1.00 20.00 H new ATOM 896 N MET A 49 -32.166 -0.736 21.492 1.00 20.00 N ATOM 897 CA MET A 49 -33.339 -1.285 20.814 1.00 20.00 C ATOM 898 C MET A 49 -34.628 -0.602 21.245 1.00 20.00 C ATOM 899 O MET A 49 -35.629 -0.680 20.540 1.00 20.00 O ATOM 900 CB MET A 49 -33.464 -2.788 21.047 1.00 20.00 C ATOM 901 CG MET A 49 -32.504 -3.626 20.218 1.00 20.00 C ATOM 902 SD MET A 49 -32.896 -5.382 20.280 1.00 20.00 S ATOM 903 CE MET A 49 -34.545 -5.382 19.584 1.00 20.00 C ATOM 0 H MET A 49 -31.729 -1.369 22.163 1.00 20.00 H new ATOM 0 HA MET A 49 -33.189 -1.096 19.751 1.00 20.00 H new ATOM 0 HB2 MET A 49 -33.293 -2.997 22.103 1.00 20.00 H new ATOM 0 HB3 MET A 49 -34.485 -3.096 20.823 1.00 20.00 H new ATOM 0 HG2 MET A 49 -32.531 -3.287 19.182 1.00 20.00 H new ATOM 0 HG3 MET A 49 -31.487 -3.471 20.578 1.00 20.00 H new ATOM 0 HE1 MET A 49 -34.769 -6.369 19.179 1.00 20.00 H new ATOM 0 HE2 MET A 49 -35.268 -5.137 20.362 1.00 20.00 H new ATOM 0 HE3 MET A 49 -34.604 -4.640 18.787 1.00 20.00 H new ATOM 913 N ALA A 50 -34.611 0.055 22.395 1.00 20.00 N ATOM 914 CA ALA A 50 -35.779 0.789 22.866 1.00 20.00 C ATOM 915 C ALA A 50 -36.224 1.821 21.838 1.00 20.00 C ATOM 916 O ALA A 50 -37.400 1.890 21.477 1.00 20.00 O ATOM 917 CB ALA A 50 -35.486 1.464 24.191 1.00 20.00 C ATOM 0 H ALA A 50 -33.805 0.096 23.019 1.00 20.00 H new ATOM 0 HA ALA A 50 -36.590 0.074 23.009 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -36.370 2.007 24.526 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -35.220 0.710 24.932 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -34.657 2.161 24.069 1.00 20.00 H new ATOM 923 N GLU A 51 -35.269 2.593 21.344 1.00 20.00 N ATOM 924 CA GLU A 51 -35.559 3.629 20.365 1.00 20.00 C ATOM 925 C GLU A 51 -35.988 3.012 19.041 1.00 20.00 C ATOM 926 O GLU A 51 -36.776 3.596 18.296 1.00 20.00 O ATOM 927 CB GLU A 51 -34.342 4.529 20.150 1.00 20.00 C ATOM 928 CG GLU A 51 -33.916 5.296 21.392 1.00 20.00 C ATOM 929 CD GLU A 51 -32.941 6.409 21.074 1.00 20.00 C ATOM 930 OE1 GLU A 51 -33.387 7.473 20.599 1.00 20.00 O ATOM 931 OE2 GLU A 51 -31.727 6.234 21.308 1.00 20.00 O ATOM 0 H GLU A 51 -34.286 2.522 21.605 1.00 20.00 H new ATOM 0 HA GLU A 51 -36.378 4.236 20.752 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -33.507 3.918 19.808 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -34.564 5.240 19.354 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -34.797 5.716 21.877 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -33.459 4.607 22.102 1.00 20.00 H new ATOM 938 N ARG A 52 -35.480 1.820 18.760 1.00 20.00 N ATOM 939 CA ARG A 52 -35.809 1.127 17.523 1.00 20.00 C ATOM 940 C ARG A 52 -37.175 0.463 17.623 1.00 20.00 C ATOM 941 O ARG A 52 -37.896 0.375 16.636 1.00 20.00 O ATOM 942 CB ARG A 52 -34.744 0.086 17.170 1.00 20.00 C ATOM 943 CG ARG A 52 -33.363 0.673 16.913 1.00 20.00 C ATOM 944 CD ARG A 52 -32.494 -0.289 16.119 1.00 20.00 C ATOM 945 NE ARG A 52 -33.052 -0.546 14.792 1.00 20.00 N ATOM 946 CZ ARG A 52 -32.367 -1.074 13.780 1.00 20.00 C ATOM 947 NH1 ARG A 52 -31.098 -1.427 13.936 1.00 20.00 N ATOM 948 NH2 ARG A 52 -32.960 -1.255 12.607 1.00 20.00 N ATOM 0 H ARG A 52 -34.839 1.314 19.371 1.00 20.00 H new ATOM 0 HA ARG A 52 -35.837 1.871 16.727 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -34.674 -0.637 17.983 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -35.065 -0.461 16.284 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -33.460 1.613 16.369 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -32.881 0.903 17.863 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -31.490 0.124 16.019 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -32.399 -1.229 16.663 1.00 20.00 H new ATOM 0 HE ARG A 52 -34.030 -0.305 14.631 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -30.639 -1.295 14.837 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -30.581 -1.831 13.155 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -33.937 -0.990 12.483 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -32.439 -1.659 11.829 1.00 20.00 H new ATOM 962 N PHE A 53 -37.536 0.004 18.815 1.00 20.00 N ATOM 963 CA PHE A 53 -38.841 -0.606 19.029 1.00 20.00 C ATOM 964 C PHE A 53 -39.934 0.439 18.853 1.00 20.00 C ATOM 965 O PHE A 53 -41.000 0.159 18.304 1.00 20.00 O ATOM 966 CB PHE A 53 -38.930 -1.240 20.420 1.00 20.00 C ATOM 967 CG PHE A 53 -40.221 -1.974 20.660 1.00 20.00 C ATOM 968 CD1 PHE A 53 -40.374 -3.287 20.243 1.00 20.00 C ATOM 969 CD2 PHE A 53 -41.283 -1.349 21.296 1.00 20.00 C ATOM 970 CE1 PHE A 53 -41.560 -3.961 20.455 1.00 20.00 C ATOM 971 CE2 PHE A 53 -42.471 -2.020 21.511 1.00 20.00 C ATOM 972 CZ PHE A 53 -42.610 -3.327 21.090 1.00 20.00 C ATOM 0 H PHE A 53 -36.945 0.043 19.645 1.00 20.00 H new ATOM 0 HA PHE A 53 -38.978 -1.396 18.291 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -38.098 -1.932 20.550 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -38.818 -0.461 21.174 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -39.556 -3.788 19.747 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -41.180 -0.326 21.627 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -41.667 -4.984 20.124 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -43.290 -1.522 22.008 1.00 20.00 H new ATOM 0 HZ PHE A 53 -43.538 -3.853 21.257 1.00 20.00 H new ATOM 982 N ALA A 54 -39.654 1.651 19.315 1.00 20.00 N ATOM 983 CA ALA A 54 -40.557 2.774 19.120 1.00 20.00 C ATOM 984 C ALA A 54 -40.636 3.131 17.642 1.00 20.00 C ATOM 985 O ALA A 54 -41.648 3.636 17.157 1.00 20.00 O ATOM 986 CB ALA A 54 -40.092 3.969 19.935 1.00 20.00 C ATOM 0 H ALA A 54 -38.804 1.880 19.830 1.00 20.00 H new ATOM 0 HA ALA A 54 -41.553 2.491 19.462 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -40.776 4.803 19.780 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -40.076 3.704 20.992 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -39.090 4.258 19.618 1.00 20.00 H new ATOM 992 N LYS A 55 -39.556 2.844 16.927 1.00 20.00 N ATOM 993 CA LYS A 55 -39.494 3.092 15.497 1.00 20.00 C ATOM 994 C LYS A 55 -40.229 1.991 14.736 1.00 20.00 C ATOM 995 O LYS A 55 -40.748 2.222 13.650 1.00 20.00 O ATOM 996 CB LYS A 55 -38.035 3.183 15.038 1.00 20.00 C ATOM 997 CG LYS A 55 -37.867 3.618 13.588 1.00 20.00 C ATOM 998 CD LYS A 55 -38.474 4.988 13.343 1.00 20.00 C ATOM 999 CE LYS A 55 -38.206 5.476 11.929 1.00 20.00 C ATOM 1000 NZ LYS A 55 -36.760 5.708 11.683 1.00 20.00 N ATOM 0 H LYS A 55 -38.707 2.437 17.319 1.00 20.00 H new ATOM 0 HA LYS A 55 -39.983 4.043 15.284 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -37.506 3.886 15.681 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -37.562 2.210 15.172 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -36.807 3.638 13.334 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -38.339 2.887 12.931 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -39.549 4.946 13.516 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -38.064 5.701 14.058 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -38.582 4.743 11.216 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -38.756 6.401 11.755 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -36.641 6.271 10.816 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -36.349 6.222 12.488 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -36.276 4.794 11.572 1.00 20.00 H new ATOM 1014 N MET A 56 -40.295 0.801 15.335 1.00 20.00 N ATOM 1015 CA MET A 56 -40.987 -0.342 14.730 1.00 20.00 C ATOM 1016 C MET A 56 -42.474 -0.057 14.579 1.00 20.00 C ATOM 1017 O MET A 56 -43.176 -0.740 13.835 1.00 20.00 O ATOM 1018 CB MET A 56 -40.808 -1.612 15.569 1.00 20.00 C ATOM 1019 CG MET A 56 -39.385 -2.143 15.618 1.00 20.00 C ATOM 1020 SD MET A 56 -39.244 -3.607 16.662 1.00 20.00 S ATOM 1021 CE MET A 56 -37.484 -3.913 16.579 1.00 20.00 C ATOM 0 H MET A 56 -39.876 0.602 16.243 1.00 20.00 H new ATOM 0 HA MET A 56 -40.543 -0.500 13.747 1.00 20.00 H new ATOM 0 HB2 MET A 56 -41.141 -1.409 16.587 1.00 20.00 H new ATOM 0 HB3 MET A 56 -41.459 -2.390 15.170 1.00 20.00 H new ATOM 0 HG2 MET A 56 -39.054 -2.385 14.608 1.00 20.00 H new ATOM 0 HG3 MET A 56 -38.721 -1.365 15.994 1.00 20.00 H new ATOM 0 HE1 MET A 56 -37.239 -4.791 17.177 1.00 20.00 H new ATOM 0 HE2 MET A 56 -37.193 -4.087 15.543 1.00 20.00 H new ATOM 0 HE3 MET A 56 -36.946 -3.048 16.966 1.00 20.00 H new ATOM 1031 N ARG A 57 -42.952 0.946 15.307 1.00 20.00 N ATOM 1032 CA ARG A 57 -44.335 1.386 15.200 1.00 20.00 C ATOM 1033 C ARG A 57 -44.638 1.793 13.758 1.00 20.00 C ATOM 1034 O ARG A 57 -45.731 1.558 13.242 1.00 20.00 O ATOM 1035 CB ARG A 57 -44.574 2.563 16.149 1.00 20.00 C ATOM 1036 CG ARG A 57 -46.016 3.037 16.205 1.00 20.00 C ATOM 1037 CD ARG A 57 -46.165 4.217 17.151 1.00 20.00 C ATOM 1038 NE ARG A 57 -47.545 4.685 17.243 1.00 20.00 N ATOM 1039 CZ ARG A 57 -47.952 5.641 18.078 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -47.082 6.228 18.896 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -49.227 6.004 18.100 1.00 20.00 N ATOM 0 H ARG A 57 -42.396 1.472 15.982 1.00 20.00 H new ATOM 0 HA ARG A 57 -45.000 0.568 15.479 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -44.259 2.276 17.152 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -43.941 3.396 15.843 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -46.348 3.322 15.207 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -46.659 2.220 16.533 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -45.814 3.931 18.143 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -45.529 5.034 16.811 1.00 20.00 H new ATOM 0 HE ARG A 57 -48.239 4.255 16.632 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -46.102 5.947 18.885 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -47.395 6.959 19.534 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -49.897 5.552 17.478 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -49.538 6.736 18.739 1.00 20.00 H new ATOM 1055 N LYS A 58 -43.637 2.375 13.111 1.00 20.00 N ATOM 1056 CA LYS A 58 -43.745 2.806 11.729 1.00 20.00 C ATOM 1057 C LYS A 58 -42.342 3.070 11.194 1.00 20.00 C ATOM 1058 O LYS A 58 -41.895 4.218 11.125 1.00 20.00 O ATOM 1059 CB LYS A 58 -44.610 4.072 11.632 1.00 20.00 C ATOM 1060 CG LYS A 58 -45.280 4.294 10.276 1.00 20.00 C ATOM 1061 CD LYS A 58 -44.273 4.523 9.157 1.00 20.00 C ATOM 1062 CE LYS A 58 -44.953 4.939 7.864 1.00 20.00 C ATOM 1063 NZ LYS A 58 -45.645 6.249 7.997 1.00 20.00 N ATOM 0 H LYS A 58 -42.727 2.561 13.533 1.00 20.00 H new ATOM 0 HA LYS A 58 -44.224 2.029 11.132 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -45.383 4.025 12.399 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -43.988 4.938 11.859 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -45.897 3.429 10.033 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -45.948 5.153 10.341 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -43.563 5.293 9.459 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -43.701 3.610 8.990 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -44.212 4.999 7.067 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -45.674 4.176 7.571 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -45.814 6.650 7.052 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -46.554 6.114 8.483 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -45.051 6.901 8.549 1.00 20.00 H new ATOM 1077 N GLU A 59 -41.632 2.004 10.850 1.00 20.00 N ATOM 1078 CA GLU A 59 -40.263 2.133 10.371 1.00 20.00 C ATOM 1079 C GLU A 59 -40.219 2.048 8.852 1.00 20.00 C ATOM 1080 O GLU A 59 -39.197 2.336 8.230 1.00 20.00 O ATOM 1081 CB GLU A 59 -39.345 1.063 10.989 1.00 20.00 C ATOM 1082 CG GLU A 59 -39.556 -0.350 10.450 1.00 20.00 C ATOM 1083 CD GLU A 59 -40.892 -0.951 10.836 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -41.900 -0.665 10.152 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -40.939 -1.720 11.816 1.00 20.00 O ATOM 0 H GLU A 59 -41.979 1.046 10.893 1.00 20.00 H new ATOM 0 HA GLU A 59 -39.896 3.111 10.683 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -38.308 1.351 10.817 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -39.498 1.052 12.068 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -39.475 -0.331 9.363 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -38.757 -0.994 10.818 1.00 20.00 H new ATOM 1092 N ARG A 60 -41.351 1.644 8.276 1.00 20.00 N ATOM 1093 CA ARG A 60 -41.508 1.528 6.830 1.00 20.00 C ATOM 1094 C ARG A 60 -40.481 0.549 6.257 1.00 20.00 C ATOM 1095 O ARG A 60 -39.992 0.717 5.139 1.00 20.00 O ATOM 1096 CB ARG A 60 -41.374 2.905 6.166 1.00 20.00 C ATOM 1097 CG ARG A 60 -41.868 2.944 4.730 1.00 20.00 C ATOM 1098 CD ARG A 60 -41.562 4.277 4.071 1.00 20.00 C ATOM 1099 NE ARG A 60 -42.030 4.317 2.689 1.00 20.00 N ATOM 1100 CZ ARG A 60 -41.467 5.048 1.729 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -40.405 5.800 1.991 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -41.967 5.016 0.502 1.00 20.00 N ATOM 0 H ARG A 60 -42.186 1.388 8.802 1.00 20.00 H new ATOM 0 HA ARG A 60 -42.504 1.140 6.618 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -41.931 3.636 6.752 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -40.327 3.209 6.189 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -41.400 2.140 4.161 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -42.943 2.765 4.709 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -42.033 5.080 4.638 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -40.487 4.457 4.096 1.00 20.00 H new ATOM 0 HE ARG A 60 -42.840 3.748 2.443 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -40.015 5.821 2.933 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -39.979 6.357 1.250 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -42.779 4.434 0.297 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -41.540 5.574 -0.237 1.00 20.00 H new ATOM 1116 N SER A 61 -40.164 -0.483 7.024 1.00 20.00 N ATOM 1117 CA SER A 61 -39.182 -1.466 6.605 1.00 20.00 C ATOM 1118 C SER A 61 -39.531 -2.829 7.191 1.00 20.00 C ATOM 1119 O SER A 61 -40.083 -2.918 8.289 1.00 20.00 O ATOM 1120 CB SER A 61 -37.777 -1.029 7.043 1.00 20.00 C ATOM 1121 OG SER A 61 -36.776 -1.868 6.491 1.00 20.00 O ATOM 0 H SER A 61 -40.574 -0.660 7.941 1.00 20.00 H new ATOM 0 HA SER A 61 -39.193 -1.543 5.518 1.00 20.00 H new ATOM 0 HB2 SER A 61 -37.602 0.001 6.732 1.00 20.00 H new ATOM 0 HB3 SER A 61 -37.711 -1.049 8.131 1.00 20.00 H new ATOM 0 HG SER A 61 -35.893 -1.563 6.787 1.00 20.00 H new ATOM 1127 N LYS A 62 -39.214 -3.884 6.455 1.00 20.00 N ATOM 1128 CA LYS A 62 -39.565 -5.236 6.858 1.00 20.00 C ATOM 1129 C LYS A 62 -38.412 -5.886 7.615 1.00 20.00 C ATOM 1130 O LYS A 62 -37.601 -6.603 7.027 1.00 20.00 O ATOM 1131 CB LYS A 62 -39.933 -6.058 5.622 1.00 20.00 C ATOM 1132 CG LYS A 62 -40.987 -5.381 4.765 1.00 20.00 C ATOM 1133 CD LYS A 62 -41.366 -6.216 3.559 1.00 20.00 C ATOM 1134 CE LYS A 62 -42.329 -5.461 2.657 1.00 20.00 C ATOM 1135 NZ LYS A 62 -42.795 -6.294 1.519 1.00 20.00 N ATOM 0 H LYS A 62 -38.711 -3.828 5.570 1.00 20.00 H new ATOM 0 HA LYS A 62 -40.425 -5.198 7.527 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -39.038 -6.229 5.024 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -40.298 -7.036 5.936 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -41.876 -5.191 5.367 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -40.615 -4.412 4.432 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -40.469 -6.481 2.999 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -41.824 -7.149 3.887 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -43.189 -5.131 3.240 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -41.840 -4.565 2.274 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -43.449 -5.741 0.929 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -41.978 -6.588 0.947 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -43.284 -7.136 1.883 1.00 20.00 H new ATOM 1149 N GLN A 63 -38.359 -5.616 8.921 1.00 20.00 N ATOM 1150 CA GLN A 63 -37.302 -6.116 9.805 1.00 20.00 C ATOM 1151 C GLN A 63 -35.947 -5.526 9.422 1.00 20.00 C ATOM 1152 O GLN A 63 -35.551 -4.514 10.037 1.00 20.00 O ATOM 1153 CB GLN A 63 -37.243 -7.649 9.803 1.00 20.00 C ATOM 1154 CG GLN A 63 -36.205 -8.219 10.762 1.00 20.00 C ATOM 1155 CD GLN A 63 -36.147 -9.736 10.750 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -35.091 -10.330 10.977 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -37.276 -10.378 10.505 1.00 20.00 N ATOM 1158 OXT GLN A 63 -35.287 -6.064 8.508 1.00 20.00 O ATOM 0 H GLN A 63 -39.053 -5.041 9.399 1.00 20.00 H new ATOM 0 HA GLN A 63 -37.545 -5.794 10.818 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -38.225 -8.043 10.067 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -37.022 -7.995 8.793 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -35.224 -7.823 10.502 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -36.429 -7.879 11.773 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -38.131 -9.854 10.321 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -37.292 -11.398 10.500 1.00 20.00 H new TER 1167 GLN A 63