USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 481 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 30 CYS SG : rot -76:sc= -0.0358 USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 76:sc= 1.13 USER MOD Single : A 7 LYS NZ :NH3+ -105:sc= -0.409 (180deg=-1.75!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -3.2! C(o=-3.2!,f=-3.6!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.368 X(o=-0.37,f=0) USER MOD Single : A 20 ASN : amide:sc= -4.49! K(o=-4.5!,f=-0.2) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -2.57! C(o=-2.6!,f=-4.4!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -5.79! C(o=-5.8!,f=-6!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -118:sc= -1.82! USER MOD Single : A 41 GLN : amide:sc= -0.4 K(o=-0.4,f=-0.97) USER MOD Single : A 42 ASN : amide:sc= 0.273 K(o=0.27,f=-11!) USER MOD Single : A 44 LYS NZ :NH3+ 139:sc= -0.156 (180deg=-0.895) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc=-6.78e-06 X(o=-6.8e-06,f=-0.27) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -1.43 (180deg=-1.56) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.11) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.893 -4.521 0.780 1.00 0.00 N ATOM 2 CA PRO A 1 -12.741 -4.801 1.678 1.00 0.00 C ATOM 3 C PRO A 1 -12.730 -3.774 2.818 1.00 0.00 C ATOM 4 O PRO A 1 -11.708 -3.509 3.421 1.00 0.00 O ATOM 5 CB PRO A 1 -11.451 -4.695 0.838 1.00 0.00 C ATOM 6 CG PRO A 1 -11.830 -3.811 -0.320 1.00 0.00 C ATOM 7 CD PRO A 1 -13.351 -3.970 -0.487 1.00 0.00 C ATOM 0 H2 PRO A 1 -14.533 -3.856 1.215 1.00 0.00 H new ATOM 0 H3 PRO A 1 -14.424 -5.374 0.602 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.815 -5.797 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -10.634 -4.263 1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -11.117 -5.675 0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -11.565 -2.772 -0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -11.304 -4.108 -1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -13.813 -3.009 -0.714 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -13.576 -4.636 -1.320 1.00 0.00 H new ATOM 17 N GLU A 2 -13.861 -3.194 3.119 1.00 0.00 N ATOM 18 CA GLU A 2 -13.914 -2.187 4.217 1.00 0.00 C ATOM 19 C GLU A 2 -13.366 -2.803 5.506 1.00 0.00 C ATOM 20 O GLU A 2 -12.870 -2.113 6.374 1.00 0.00 O ATOM 21 CB GLU A 2 -15.363 -1.749 4.439 1.00 0.00 C ATOM 22 CG GLU A 2 -15.962 -1.271 3.115 1.00 0.00 C ATOM 23 CD GLU A 2 -17.382 -0.756 3.353 1.00 0.00 C ATOM 24 OE1 GLU A 2 -18.072 -1.336 4.175 1.00 0.00 O ATOM 25 OE2 GLU A 2 -17.757 0.210 2.709 1.00 0.00 O ATOM 0 H GLU A 2 -14.750 -3.374 2.652 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.310 -1.322 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.948 -2.579 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.403 -0.949 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.344 -0.481 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.976 -2.088 2.394 1.00 0.00 H new ATOM 32 N GLU A 3 -13.454 -4.098 5.637 1.00 0.00 N ATOM 33 CA GLU A 3 -12.940 -4.759 6.869 1.00 0.00 C ATOM 34 C GLU A 3 -11.445 -4.470 7.018 1.00 0.00 C ATOM 35 O GLU A 3 -10.979 -4.097 8.076 1.00 0.00 O ATOM 36 CB GLU A 3 -13.162 -6.271 6.765 1.00 0.00 C ATOM 37 CG GLU A 3 -12.660 -6.956 8.041 1.00 0.00 C ATOM 38 CD GLU A 3 -13.090 -8.425 8.039 1.00 0.00 C ATOM 39 OE1 GLU A 3 -14.274 -8.674 7.885 1.00 0.00 O ATOM 40 OE2 GLU A 3 -12.227 -9.274 8.191 1.00 0.00 O ATOM 0 H GLU A 3 -13.860 -4.727 4.944 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.471 -4.372 7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.221 -6.484 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.635 -6.667 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.574 -6.885 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.061 -6.450 8.919 1.00 0.00 H new ATOM 47 N VAL A 4 -10.688 -4.644 5.969 1.00 0.00 N ATOM 48 CA VAL A 4 -9.221 -4.383 6.055 1.00 0.00 C ATOM 49 C VAL A 4 -8.970 -2.878 6.085 1.00 0.00 C ATOM 50 O VAL A 4 -8.172 -2.395 6.857 1.00 0.00 O ATOM 51 CB VAL A 4 -8.526 -4.997 4.842 1.00 0.00 C ATOM 52 CG1 VAL A 4 -7.009 -4.877 5.003 1.00 0.00 C ATOM 53 CG2 VAL A 4 -8.912 -6.471 4.742 1.00 0.00 C ATOM 0 H VAL A 4 -11.021 -4.955 5.056 1.00 0.00 H new ATOM 0 HA VAL A 4 -8.824 -4.831 6.966 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.833 -4.472 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.515 -5.316 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.734 -3.825 5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.696 -5.404 5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.420 -6.918 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.599 -6.991 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.993 -6.557 4.629 1.00 0.00 H new ATOM 63 N ILE A 5 -9.647 -2.122 5.264 1.00 0.00 N ATOM 64 CA ILE A 5 -9.427 -0.646 5.275 1.00 0.00 C ATOM 65 C ILE A 5 -9.568 -0.145 6.710 1.00 0.00 C ATOM 66 O ILE A 5 -9.019 0.871 7.086 1.00 0.00 O ATOM 67 CB ILE A 5 -10.481 0.048 4.402 1.00 0.00 C ATOM 68 CG1 ILE A 5 -10.448 -0.513 2.957 1.00 0.00 C ATOM 69 CG2 ILE A 5 -10.224 1.562 4.405 1.00 0.00 C ATOM 70 CD1 ILE A 5 -9.310 0.116 2.138 1.00 0.00 C ATOM 0 H ILE A 5 -10.337 -2.458 4.592 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.434 -0.422 4.885 1.00 0.00 H new ATOM 0 HB ILE A 5 -11.472 -0.147 4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.321 -1.595 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.402 -0.318 2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.971 2.059 3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.289 1.940 5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.230 1.763 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -9.315 -0.299 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.452 1.195 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.355 -0.102 2.615 1.00 0.00 H new ATOM 82 N SER A 6 -10.289 -0.868 7.515 1.00 0.00 N ATOM 83 CA SER A 6 -10.462 -0.458 8.932 1.00 0.00 C ATOM 84 C SER A 6 -9.114 -0.560 9.650 1.00 0.00 C ATOM 85 O SER A 6 -8.788 0.250 10.495 1.00 0.00 O ATOM 86 CB SER A 6 -11.480 -1.375 9.613 1.00 0.00 C ATOM 87 OG SER A 6 -12.647 -1.461 8.806 1.00 0.00 O ATOM 0 H SER A 6 -10.768 -1.729 7.251 1.00 0.00 H new ATOM 0 HA SER A 6 -10.824 0.569 8.976 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.052 -2.367 9.761 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.734 -0.987 10.600 1.00 0.00 H new ATOM 0 HG SER A 6 -12.475 -2.054 8.045 1.00 0.00 H new ATOM 93 N LYS A 7 -8.327 -1.555 9.326 1.00 0.00 N ATOM 94 CA LYS A 7 -7.001 -1.705 10.003 1.00 0.00 C ATOM 95 C LYS A 7 -6.043 -0.625 9.493 1.00 0.00 C ATOM 96 O LYS A 7 -5.165 -0.176 10.200 1.00 0.00 O ATOM 97 CB LYS A 7 -6.434 -3.126 9.745 1.00 0.00 C ATOM 98 CG LYS A 7 -5.746 -3.248 8.353 1.00 0.00 C ATOM 99 CD LYS A 7 -4.214 -3.083 8.461 1.00 0.00 C ATOM 100 CE LYS A 7 -3.585 -4.242 9.267 1.00 0.00 C ATOM 101 NZ LYS A 7 -3.329 -3.790 10.665 1.00 0.00 N ATOM 0 H LYS A 7 -8.542 -2.266 8.627 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.120 -1.580 11.079 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.715 -3.374 10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.242 -3.854 9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.978 -4.219 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.148 -2.491 7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.777 -3.051 7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.980 -2.133 8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.253 -5.104 9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.653 -4.561 8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.311 -3.620 10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.852 -2.910 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.645 -4.524 11.331 1.00 0.00 H new ATOM 115 N ILE A 8 -6.206 -0.215 8.266 1.00 0.00 N ATOM 116 CA ILE A 8 -5.309 0.828 7.691 1.00 0.00 C ATOM 117 C ILE A 8 -5.676 2.194 8.282 1.00 0.00 C ATOM 118 O ILE A 8 -4.859 3.092 8.341 1.00 0.00 O ATOM 119 CB ILE A 8 -5.480 0.818 6.157 1.00 0.00 C ATOM 120 CG1 ILE A 8 -4.737 -0.412 5.566 1.00 0.00 C ATOM 121 CG2 ILE A 8 -4.917 2.111 5.540 1.00 0.00 C ATOM 122 CD1 ILE A 8 -5.456 -0.925 4.313 1.00 0.00 C ATOM 0 H ILE A 8 -6.927 -0.560 7.632 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.266 0.625 7.935 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.542 0.757 5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.711 -0.139 5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.684 -1.205 6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.047 2.085 4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.449 2.971 5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.856 2.195 5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.921 -1.786 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.474 -1.218 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.486 -0.136 3.562 1.00 0.00 H new ATOM 134 N MET A 9 -6.889 2.354 8.733 1.00 0.00 N ATOM 135 CA MET A 9 -7.288 3.659 9.333 1.00 0.00 C ATOM 136 C MET A 9 -6.457 3.889 10.598 1.00 0.00 C ATOM 137 O MET A 9 -6.516 4.935 11.213 1.00 0.00 O ATOM 138 CB MET A 9 -8.784 3.629 9.688 1.00 0.00 C ATOM 139 CG MET A 9 -9.628 3.828 8.422 1.00 0.00 C ATOM 140 SD MET A 9 -11.357 3.420 8.779 1.00 0.00 S ATOM 141 CE MET A 9 -11.847 5.030 9.447 1.00 0.00 C ATOM 0 H MET A 9 -7.619 1.642 8.713 1.00 0.00 H new ATOM 0 HA MET A 9 -7.112 4.467 8.623 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.036 2.678 10.157 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.010 4.411 10.412 1.00 0.00 H new ATOM 0 HG2 MET A 9 -9.550 4.859 8.078 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.252 3.195 7.618 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.898 5.000 9.735 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.238 5.262 10.320 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.701 5.799 8.688 1.00 0.00 H new ATOM 151 N GLU A 10 -5.686 2.911 10.991 1.00 0.00 N ATOM 152 CA GLU A 10 -4.851 3.061 12.217 1.00 0.00 C ATOM 153 C GLU A 10 -3.813 4.164 12.004 1.00 0.00 C ATOM 154 O GLU A 10 -3.477 4.898 12.913 1.00 0.00 O ATOM 155 CB GLU A 10 -4.134 1.735 12.502 1.00 0.00 C ATOM 156 CG GLU A 10 -3.120 1.433 11.384 1.00 0.00 C ATOM 157 CD GLU A 10 -2.657 -0.023 11.487 1.00 0.00 C ATOM 158 OE1 GLU A 10 -2.128 -0.383 12.526 1.00 0.00 O ATOM 159 OE2 GLU A 10 -2.840 -0.751 10.526 1.00 0.00 O ATOM 0 H GLU A 10 -5.598 2.013 10.515 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.488 3.326 13.061 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.623 1.788 13.463 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.862 0.927 12.572 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.574 1.612 10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.264 2.103 11.465 1.00 0.00 H new ATOM 166 N ASN A 11 -3.294 4.267 10.807 1.00 0.00 N ATOM 167 CA ASN A 11 -2.258 5.298 10.496 1.00 0.00 C ATOM 168 C ASN A 11 -2.823 6.297 9.477 1.00 0.00 C ATOM 169 O ASN A 11 -2.713 6.085 8.285 1.00 0.00 O ATOM 170 CB ASN A 11 -1.041 4.592 9.881 1.00 0.00 C ATOM 171 CG ASN A 11 -0.286 3.808 10.961 1.00 0.00 C ATOM 172 OD1 ASN A 11 0.693 3.149 10.674 1.00 0.00 O ATOM 173 ND2 ASN A 11 -0.702 3.849 12.199 1.00 0.00 N ATOM 0 H ASN A 11 -3.549 3.671 10.020 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.973 5.828 11.405 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.364 3.916 9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.378 5.326 9.423 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.205 3.328 12.922 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.524 4.402 12.443 1.00 0.00 H new ATOM 180 N PRO A 12 -3.417 7.383 9.921 1.00 0.00 N ATOM 181 CA PRO A 12 -3.982 8.407 8.994 1.00 0.00 C ATOM 182 C PRO A 12 -3.000 8.737 7.864 1.00 0.00 C ATOM 183 O PRO A 12 -3.356 9.315 6.857 1.00 0.00 O ATOM 184 CB PRO A 12 -4.217 9.618 9.907 1.00 0.00 C ATOM 185 CG PRO A 12 -4.504 9.016 11.246 1.00 0.00 C ATOM 186 CD PRO A 12 -3.620 7.764 11.335 1.00 0.00 C ATOM 0 HA PRO A 12 -4.890 8.073 8.492 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.342 10.267 9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.051 10.226 9.556 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.273 9.717 12.048 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.559 8.758 11.342 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.674 7.975 11.833 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.107 6.968 11.899 1.00 0.00 H new ATOM 194 N ASP A 13 -1.764 8.355 8.032 1.00 0.00 N ATOM 195 CA ASP A 13 -0.739 8.618 6.985 1.00 0.00 C ATOM 196 C ASP A 13 -1.001 7.702 5.789 1.00 0.00 C ATOM 197 O ASP A 13 -0.947 8.119 4.649 1.00 0.00 O ATOM 198 CB ASP A 13 0.652 8.331 7.553 1.00 0.00 C ATOM 199 CG ASP A 13 1.717 8.737 6.532 1.00 0.00 C ATOM 200 OD1 ASP A 13 1.708 8.182 5.445 1.00 0.00 O ATOM 201 OD2 ASP A 13 2.522 9.594 6.854 1.00 0.00 O ATOM 0 H ASP A 13 -1.418 7.867 8.858 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.792 9.660 6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.797 8.881 8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.747 7.272 7.791 1.00 0.00 H new ATOM 206 N VAL A 14 -1.295 6.454 6.044 1.00 0.00 N ATOM 207 CA VAL A 14 -1.574 5.507 4.929 1.00 0.00 C ATOM 208 C VAL A 14 -2.967 5.796 4.392 1.00 0.00 C ATOM 209 O VAL A 14 -3.194 5.826 3.201 1.00 0.00 O ATOM 210 CB VAL A 14 -1.507 4.072 5.459 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.850 3.085 4.342 1.00 0.00 C ATOM 212 CG2 VAL A 14 -0.093 3.786 5.970 1.00 0.00 C ATOM 0 H VAL A 14 -1.354 6.051 6.979 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.839 5.626 4.133 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.225 3.957 6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.800 2.067 4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.857 3.285 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.138 3.199 3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.042 2.765 6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.620 3.907 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.152 4.482 6.772 1.00 0.00 H new ATOM 222 N ALA A 15 -3.897 6.019 5.268 1.00 0.00 N ATOM 223 CA ALA A 15 -5.278 6.321 4.825 1.00 0.00 C ATOM 224 C ALA A 15 -5.249 7.563 3.932 1.00 0.00 C ATOM 225 O ALA A 15 -5.957 7.657 2.949 1.00 0.00 O ATOM 226 CB ALA A 15 -6.135 6.582 6.058 1.00 0.00 C ATOM 0 H ALA A 15 -3.759 6.005 6.279 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.695 5.486 4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.156 6.806 5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.134 5.698 6.696 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.728 7.429 6.611 1.00 0.00 H new ATOM 232 N MET A 16 -4.413 8.510 4.262 1.00 0.00 N ATOM 233 CA MET A 16 -4.304 9.740 3.432 1.00 0.00 C ATOM 234 C MET A 16 -3.519 9.393 2.170 1.00 0.00 C ATOM 235 O MET A 16 -3.779 9.902 1.098 1.00 0.00 O ATOM 236 CB MET A 16 -3.558 10.822 4.221 1.00 0.00 C ATOM 237 CG MET A 16 -4.495 11.456 5.259 1.00 0.00 C ATOM 238 SD MET A 16 -5.695 12.518 4.417 1.00 0.00 S ATOM 239 CE MET A 16 -6.776 12.808 5.838 1.00 0.00 C ATOM 0 H MET A 16 -3.798 8.483 5.076 1.00 0.00 H new ATOM 0 HA MET A 16 -5.295 10.112 3.170 1.00 0.00 H new ATOM 0 HB2 MET A 16 -2.691 10.388 4.719 1.00 0.00 H new ATOM 0 HB3 MET A 16 -3.185 11.587 3.541 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.012 10.678 5.821 1.00 0.00 H new ATOM 0 HG3 MET A 16 -3.919 12.039 5.978 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.603 13.453 5.541 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.169 11.857 6.196 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.209 13.289 6.635 1.00 0.00 H new ATOM 249 N ALA A 17 -2.563 8.514 2.295 1.00 0.00 N ATOM 250 CA ALA A 17 -1.761 8.112 1.112 1.00 0.00 C ATOM 251 C ALA A 17 -2.651 7.274 0.204 1.00 0.00 C ATOM 252 O ALA A 17 -2.550 7.316 -1.003 1.00 0.00 O ATOM 253 CB ALA A 17 -0.556 7.287 1.570 1.00 0.00 C ATOM 0 H ALA A 17 -2.304 8.057 3.169 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.399 8.990 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.034 6.991 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.061 7.885 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.903 6.396 2.094 1.00 0.00 H new ATOM 259 N PHE A 18 -3.542 6.524 0.788 1.00 0.00 N ATOM 260 CA PHE A 18 -4.467 5.689 -0.026 1.00 0.00 C ATOM 261 C PHE A 18 -5.180 6.598 -1.037 1.00 0.00 C ATOM 262 O PHE A 18 -5.721 6.144 -2.026 1.00 0.00 O ATOM 263 CB PHE A 18 -5.495 5.029 0.919 1.00 0.00 C ATOM 264 CG PHE A 18 -5.111 3.588 1.205 1.00 0.00 C ATOM 265 CD1 PHE A 18 -3.786 3.270 1.525 1.00 0.00 C ATOM 266 CD2 PHE A 18 -6.080 2.573 1.157 1.00 0.00 C ATOM 267 CE1 PHE A 18 -3.429 1.943 1.795 1.00 0.00 C ATOM 268 CE2 PHE A 18 -5.720 1.248 1.427 1.00 0.00 C ATOM 269 CZ PHE A 18 -4.395 0.935 1.746 1.00 0.00 C ATOM 0 H PHE A 18 -3.670 6.453 1.797 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.922 4.912 -0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.550 5.588 1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.487 5.064 0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.038 4.049 1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.104 2.815 0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.406 1.699 2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.465 0.467 1.389 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.118 -0.088 1.955 1.00 0.00 H new ATOM 279 N GLN A 19 -5.179 7.884 -0.788 1.00 0.00 N ATOM 280 CA GLN A 19 -5.848 8.840 -1.721 1.00 0.00 C ATOM 281 C GLN A 19 -4.840 9.325 -2.765 1.00 0.00 C ATOM 282 O GLN A 19 -4.986 10.393 -3.327 1.00 0.00 O ATOM 283 CB GLN A 19 -6.369 10.040 -0.926 1.00 0.00 C ATOM 284 CG GLN A 19 -7.379 9.561 0.118 1.00 0.00 C ATOM 285 CD GLN A 19 -7.865 10.754 0.943 1.00 0.00 C ATOM 286 OE1 GLN A 19 -9.048 10.903 1.179 1.00 0.00 O ATOM 287 NE2 GLN A 19 -6.996 11.617 1.395 1.00 0.00 N ATOM 0 H GLN A 19 -4.741 8.314 0.026 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.678 8.341 -2.221 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.541 10.553 -0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.838 10.759 -1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.223 9.077 -0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.920 8.818 0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.003 11.492 1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.310 12.416 1.946 1.00 0.00 H new ATOM 296 N ASN A 20 -3.824 8.539 -3.036 1.00 0.00 N ATOM 297 CA ASN A 20 -2.798 8.925 -4.054 1.00 0.00 C ATOM 298 C ASN A 20 -2.948 7.977 -5.249 1.00 0.00 C ATOM 299 O ASN A 20 -3.304 6.828 -5.078 1.00 0.00 O ATOM 300 CB ASN A 20 -1.394 8.775 -3.445 1.00 0.00 C ATOM 301 CG ASN A 20 -1.150 9.897 -2.432 1.00 0.00 C ATOM 302 OD1 ASN A 20 -0.049 10.397 -2.316 1.00 0.00 O ATOM 303 ND2 ASN A 20 -2.138 10.315 -1.689 1.00 0.00 N ATOM 0 H ASN A 20 -3.662 7.637 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.935 9.959 -4.369 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.300 7.805 -2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.640 8.811 -4.231 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.986 11.062 -1.011 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.062 9.895 -1.786 1.00 0.00 H new ATOM 310 N PRO A 21 -2.699 8.435 -6.450 1.00 0.00 N ATOM 311 CA PRO A 21 -2.840 7.573 -7.658 1.00 0.00 C ATOM 312 C PRO A 21 -1.762 6.484 -7.707 1.00 0.00 C ATOM 313 O PRO A 21 -2.041 5.331 -7.969 1.00 0.00 O ATOM 314 CB PRO A 21 -2.694 8.560 -8.828 1.00 0.00 C ATOM 315 CG PRO A 21 -1.857 9.672 -8.277 1.00 0.00 C ATOM 316 CD PRO A 21 -2.256 9.798 -6.803 1.00 0.00 C ATOM 0 HA PRO A 21 -3.786 7.033 -7.677 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.214 8.090 -9.687 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.665 8.923 -9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.795 9.450 -8.378 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.040 10.603 -8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.417 10.120 -6.186 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.053 10.528 -6.664 1.00 0.00 H new ATOM 324 N ARG A 22 -0.536 6.843 -7.449 1.00 0.00 N ATOM 325 CA ARG A 22 0.558 5.834 -7.471 1.00 0.00 C ATOM 326 C ARG A 22 0.240 4.734 -6.456 1.00 0.00 C ATOM 327 O ARG A 22 0.482 3.566 -6.689 1.00 0.00 O ATOM 328 CB ARG A 22 1.879 6.513 -7.092 1.00 0.00 C ATOM 329 CG ARG A 22 2.186 7.648 -8.083 1.00 0.00 C ATOM 330 CD ARG A 22 3.296 8.543 -7.521 1.00 0.00 C ATOM 331 NE ARG A 22 3.756 9.487 -8.580 1.00 0.00 N ATOM 332 CZ ARG A 22 4.694 10.359 -8.321 1.00 0.00 C ATOM 333 NH1 ARG A 22 5.235 10.406 -7.133 1.00 0.00 N ATOM 334 NH2 ARG A 22 5.092 11.183 -9.251 1.00 0.00 N ATOM 0 H ARG A 22 -0.244 7.794 -7.223 1.00 0.00 H new ATOM 0 HA ARG A 22 0.645 5.401 -8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.817 6.910 -6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.689 5.783 -7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.493 7.232 -9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.287 8.238 -8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.928 9.098 -6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.130 7.933 -7.175 1.00 0.00 H new ATOM 0 HE ARG A 22 3.337 9.452 -9.509 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.925 9.761 -6.406 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.967 11.087 -6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.671 11.146 -10.179 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.824 11.864 -9.050 1.00 0.00 H new ATOM 348 N VAL A 23 -0.308 5.105 -5.331 1.00 0.00 N ATOM 349 CA VAL A 23 -0.657 4.097 -4.288 1.00 0.00 C ATOM 350 C VAL A 23 -1.907 3.333 -4.721 1.00 0.00 C ATOM 351 O VAL A 23 -1.916 2.119 -4.770 1.00 0.00 O ATOM 352 CB VAL A 23 -0.920 4.813 -2.961 1.00 0.00 C ATOM 353 CG1 VAL A 23 -1.282 3.788 -1.880 1.00 0.00 C ATOM 354 CG2 VAL A 23 0.342 5.575 -2.545 1.00 0.00 C ATOM 0 H VAL A 23 -0.531 6.070 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 23 0.168 3.395 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.749 5.510 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.468 4.303 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.178 3.244 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.458 3.086 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.162 6.088 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.168 4.874 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.595 6.306 -3.313 1.00 0.00 H new ATOM 364 N GLN A 24 -2.962 4.033 -5.052 1.00 0.00 N ATOM 365 CA GLN A 24 -4.204 3.338 -5.500 1.00 0.00 C ATOM 366 C GLN A 24 -3.835 2.385 -6.634 1.00 0.00 C ATOM 367 O GLN A 24 -4.386 1.310 -6.771 1.00 0.00 O ATOM 368 CB GLN A 24 -5.219 4.368 -6.000 1.00 0.00 C ATOM 369 CG GLN A 24 -6.535 3.666 -6.341 1.00 0.00 C ATOM 370 CD GLN A 24 -7.593 4.710 -6.703 1.00 0.00 C ATOM 371 OE1 GLN A 24 -7.764 5.045 -7.858 1.00 0.00 O ATOM 372 NE2 GLN A 24 -8.316 5.244 -5.756 1.00 0.00 N ATOM 0 H GLN A 24 -3.016 5.051 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.646 2.784 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.387 5.128 -5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.830 4.880 -6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.387 2.979 -7.174 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.872 3.071 -5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.173 4.963 -4.786 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.024 5.942 -5.986 1.00 0.00 H new ATOM 381 N ALA A 25 -2.883 2.775 -7.434 1.00 0.00 N ATOM 382 CA ALA A 25 -2.434 1.909 -8.555 1.00 0.00 C ATOM 383 C ALA A 25 -1.606 0.764 -7.982 1.00 0.00 C ATOM 384 O ALA A 25 -1.586 -0.328 -8.510 1.00 0.00 O ATOM 385 CB ALA A 25 -1.573 2.738 -9.510 1.00 0.00 C ATOM 0 H ALA A 25 -2.393 3.666 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.292 1.510 -9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.239 2.111 -10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.160 3.570 -9.900 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.706 3.125 -8.975 1.00 0.00 H new ATOM 391 N ALA A 26 -0.927 1.005 -6.896 1.00 0.00 N ATOM 392 CA ALA A 26 -0.106 -0.070 -6.279 1.00 0.00 C ATOM 393 C ALA A 26 -1.038 -1.146 -5.720 1.00 0.00 C ATOM 394 O ALA A 26 -0.838 -2.324 -5.931 1.00 0.00 O ATOM 395 CB ALA A 26 0.740 0.522 -5.151 1.00 0.00 C ATOM 0 H ALA A 26 -0.906 1.901 -6.409 1.00 0.00 H new ATOM 0 HA ALA A 26 0.554 -0.511 -7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.343 -0.265 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.395 1.294 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.086 0.959 -4.396 1.00 0.00 H new ATOM 401 N LEU A 27 -2.061 -0.745 -5.014 1.00 0.00 N ATOM 402 CA LEU A 27 -3.015 -1.739 -4.444 1.00 0.00 C ATOM 403 C LEU A 27 -3.852 -2.336 -5.572 1.00 0.00 C ATOM 404 O LEU A 27 -4.001 -3.535 -5.678 1.00 0.00 O ATOM 405 CB LEU A 27 -3.938 -1.042 -3.440 1.00 0.00 C ATOM 406 CG LEU A 27 -3.110 -0.449 -2.282 1.00 0.00 C ATOM 407 CD1 LEU A 27 -3.933 0.625 -1.564 1.00 0.00 C ATOM 408 CD2 LEU A 27 -2.728 -1.547 -1.274 1.00 0.00 C ATOM 0 H LEU A 27 -2.277 0.230 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.461 -2.531 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.499 -0.251 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.667 -1.753 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.200 -0.012 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.348 1.045 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.192 1.416 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.845 0.180 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.144 -1.110 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.633 -1.998 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.136 -2.312 -1.776 1.00 0.00 H new ATOM 420 N MET A 28 -4.396 -1.515 -6.426 1.00 0.00 N ATOM 421 CA MET A 28 -5.210 -2.056 -7.547 1.00 0.00 C ATOM 422 C MET A 28 -4.339 -3.015 -8.359 1.00 0.00 C ATOM 423 O MET A 28 -4.779 -4.062 -8.789 1.00 0.00 O ATOM 424 CB MET A 28 -5.689 -0.902 -8.438 1.00 0.00 C ATOM 425 CG MET A 28 -6.723 -1.413 -9.449 1.00 0.00 C ATOM 426 SD MET A 28 -8.266 -1.809 -8.590 1.00 0.00 S ATOM 427 CE MET A 28 -9.026 -2.771 -9.921 1.00 0.00 C ATOM 0 H MET A 28 -4.313 -0.499 -6.396 1.00 0.00 H new ATOM 0 HA MET A 28 -6.081 -2.585 -7.160 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.127 -0.115 -7.824 1.00 0.00 H new ATOM 0 HB3 MET A 28 -4.842 -0.462 -8.963 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.904 -0.657 -10.213 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.342 -2.297 -9.959 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.007 -3.122 -9.602 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.135 -2.144 -10.806 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.394 -3.627 -10.158 1.00 0.00 H new ATOM 437 N GLU A 29 -3.098 -2.663 -8.562 1.00 0.00 N ATOM 438 CA GLU A 29 -2.185 -3.549 -9.336 1.00 0.00 C ATOM 439 C GLU A 29 -1.769 -4.747 -8.475 1.00 0.00 C ATOM 440 O GLU A 29 -1.458 -5.804 -8.989 1.00 0.00 O ATOM 441 CB GLU A 29 -0.944 -2.759 -9.760 1.00 0.00 C ATOM 442 CG GLU A 29 -0.063 -3.626 -10.668 1.00 0.00 C ATOM 443 CD GLU A 29 1.038 -2.762 -11.291 1.00 0.00 C ATOM 444 OE1 GLU A 29 0.755 -2.093 -12.270 1.00 0.00 O ATOM 445 OE2 GLU A 29 2.144 -2.786 -10.778 1.00 0.00 O ATOM 0 H GLU A 29 -2.677 -1.798 -8.224 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.702 -3.913 -10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.241 -1.851 -10.285 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.381 -2.448 -8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.380 -4.439 -10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.668 -4.082 -11.451 1.00 0.00 H new ATOM 452 N CYS A 30 -1.751 -4.603 -7.169 1.00 0.00 N ATOM 453 CA CYS A 30 -1.340 -5.761 -6.313 1.00 0.00 C ATOM 454 C CYS A 30 -2.251 -6.958 -6.605 1.00 0.00 C ATOM 455 O CYS A 30 -1.832 -8.097 -6.552 1.00 0.00 O ATOM 456 CB CYS A 30 -1.418 -5.379 -4.820 1.00 0.00 C ATOM 457 SG CYS A 30 -3.101 -5.604 -4.181 1.00 0.00 S ATOM 0 H CYS A 30 -1.998 -3.750 -6.667 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.309 -6.030 -6.543 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.722 -5.992 -4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.111 -4.341 -4.689 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.856 -4.631 -4.596 1.00 0.00 H new ATOM 463 N SER A 31 -3.497 -6.707 -6.910 1.00 0.00 N ATOM 464 CA SER A 31 -4.436 -7.819 -7.203 1.00 0.00 C ATOM 465 C SER A 31 -3.827 -8.748 -8.256 1.00 0.00 C ATOM 466 O SER A 31 -4.102 -9.931 -8.290 1.00 0.00 O ATOM 467 CB SER A 31 -5.753 -7.248 -7.728 1.00 0.00 C ATOM 468 OG SER A 31 -6.271 -6.319 -6.785 1.00 0.00 O ATOM 0 H SER A 31 -3.903 -5.773 -6.968 1.00 0.00 H new ATOM 0 HA SER A 31 -4.621 -8.384 -6.289 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.593 -6.758 -8.688 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.470 -8.052 -7.896 1.00 0.00 H new ATOM 0 HG SER A 31 -7.115 -5.950 -7.119 1.00 0.00 H new ATOM 474 N GLU A 32 -2.999 -8.220 -9.117 1.00 0.00 N ATOM 475 CA GLU A 32 -2.372 -9.074 -10.166 1.00 0.00 C ATOM 476 C GLU A 32 -1.391 -10.048 -9.511 1.00 0.00 C ATOM 477 O GLU A 32 -1.490 -11.246 -9.678 1.00 0.00 O ATOM 478 CB GLU A 32 -1.621 -8.188 -11.163 1.00 0.00 C ATOM 479 CG GLU A 32 -2.619 -7.310 -11.920 1.00 0.00 C ATOM 480 CD GLU A 32 -1.880 -6.502 -12.989 1.00 0.00 C ATOM 481 OE1 GLU A 32 -0.747 -6.124 -12.739 1.00 0.00 O ATOM 482 OE2 GLU A 32 -2.459 -6.275 -14.038 1.00 0.00 O ATOM 0 H GLU A 32 -2.730 -7.236 -9.139 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.147 -9.635 -10.689 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.897 -7.564 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.060 -8.806 -11.864 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.386 -7.930 -12.383 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.127 -6.638 -11.228 1.00 0.00 H new ATOM 489 N ASN A 33 -0.445 -9.540 -8.763 1.00 0.00 N ATOM 490 CA ASN A 33 0.549 -10.429 -8.085 1.00 0.00 C ATOM 491 C ASN A 33 1.656 -9.549 -7.471 1.00 0.00 C ATOM 492 O ASN A 33 1.824 -8.411 -7.862 1.00 0.00 O ATOM 493 CB ASN A 33 1.166 -11.411 -9.117 1.00 0.00 C ATOM 494 CG ASN A 33 0.559 -12.817 -8.969 1.00 0.00 C ATOM 495 OD1 ASN A 33 -0.489 -12.987 -8.378 1.00 0.00 O ATOM 496 ND2 ASN A 33 1.184 -13.838 -9.489 1.00 0.00 N ATOM 0 H ASN A 33 -0.317 -8.543 -8.591 1.00 0.00 H new ATOM 0 HA ASN A 33 0.059 -11.008 -7.302 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.992 -11.040 -10.127 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.246 -11.460 -8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.793 -14.776 -9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.064 -13.698 -9.986 1.00 0.00 H new ATOM 503 N PRO A 34 2.413 -10.069 -6.527 1.00 0.00 N ATOM 504 CA PRO A 34 3.522 -9.304 -5.876 1.00 0.00 C ATOM 505 C PRO A 34 4.402 -8.560 -6.893 1.00 0.00 C ATOM 506 O PRO A 34 5.233 -7.751 -6.533 1.00 0.00 O ATOM 507 CB PRO A 34 4.333 -10.393 -5.157 1.00 0.00 C ATOM 508 CG PRO A 34 3.333 -11.455 -4.830 1.00 0.00 C ATOM 509 CD PRO A 34 2.299 -11.434 -5.966 1.00 0.00 C ATOM 0 HA PRO A 34 3.143 -8.527 -5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.128 -10.780 -5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.807 -10.004 -4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.812 -12.432 -4.757 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.859 -11.260 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.515 -12.194 -6.717 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.293 -11.630 -5.594 1.00 0.00 H new ATOM 517 N MET A 35 4.226 -8.830 -8.157 1.00 0.00 N ATOM 518 CA MET A 35 5.051 -8.145 -9.189 1.00 0.00 C ATOM 519 C MET A 35 4.721 -6.655 -9.181 1.00 0.00 C ATOM 520 O MET A 35 5.361 -5.861 -9.841 1.00 0.00 O ATOM 521 CB MET A 35 4.738 -8.731 -10.569 1.00 0.00 C ATOM 522 CG MET A 35 5.037 -10.232 -10.572 1.00 0.00 C ATOM 523 SD MET A 35 6.823 -10.494 -10.438 1.00 0.00 S ATOM 524 CE MET A 35 6.760 -12.222 -9.903 1.00 0.00 C ATOM 0 H MET A 35 3.545 -9.497 -8.519 1.00 0.00 H new ATOM 0 HA MET A 35 6.109 -8.290 -8.969 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.691 -8.558 -10.819 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.335 -8.230 -11.331 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.525 -10.717 -9.741 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.660 -10.687 -11.488 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.774 -12.595 -9.757 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.209 -12.293 -8.965 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.259 -12.820 -10.664 1.00 0.00 H new ATOM 534 N ASN A 36 3.721 -6.272 -8.440 1.00 0.00 N ATOM 535 CA ASN A 36 3.343 -4.835 -8.389 1.00 0.00 C ATOM 536 C ASN A 36 4.532 -4.009 -7.901 1.00 0.00 C ATOM 537 O ASN A 36 5.014 -3.126 -8.581 1.00 0.00 O ATOM 538 CB ASN A 36 2.168 -4.645 -7.417 1.00 0.00 C ATOM 539 CG ASN A 36 2.369 -5.534 -6.187 1.00 0.00 C ATOM 540 OD1 ASN A 36 1.976 -6.683 -6.182 1.00 0.00 O ATOM 541 ND2 ASN A 36 2.967 -5.045 -5.135 1.00 0.00 N ATOM 0 H ASN A 36 3.149 -6.893 -7.867 1.00 0.00 H new ATOM 0 HA ASN A 36 3.052 -4.506 -9.387 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.098 -3.600 -7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.230 -4.897 -7.911 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.104 -5.628 -4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.297 -4.080 -5.139 1.00 0.00 H new ATOM 548 N ILE A 37 4.989 -4.282 -6.714 1.00 0.00 N ATOM 549 CA ILE A 37 6.126 -3.506 -6.157 1.00 0.00 C ATOM 550 C ILE A 37 7.353 -3.661 -7.059 1.00 0.00 C ATOM 551 O ILE A 37 8.135 -2.745 -7.221 1.00 0.00 O ATOM 552 CB ILE A 37 6.420 -4.012 -4.729 1.00 0.00 C ATOM 553 CG1 ILE A 37 7.241 -2.960 -3.957 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.195 -5.341 -4.776 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.403 -1.692 -3.703 1.00 0.00 C ATOM 0 H ILE A 37 4.622 -5.012 -6.104 1.00 0.00 H new ATOM 0 HA ILE A 37 5.874 -2.446 -6.114 1.00 0.00 H new ATOM 0 HB ILE A 37 5.471 -4.177 -4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.574 -3.378 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.136 -2.703 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.393 -5.683 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.602 -6.090 -5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.139 -5.193 -5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.002 -0.963 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.092 -1.265 -4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.522 -1.950 -3.116 1.00 0.00 H new ATOM 567 N MET A 38 7.524 -4.809 -7.651 1.00 0.00 N ATOM 568 CA MET A 38 8.696 -5.017 -8.545 1.00 0.00 C ATOM 569 C MET A 38 8.671 -3.968 -9.660 1.00 0.00 C ATOM 570 O MET A 38 9.664 -3.720 -10.315 1.00 0.00 O ATOM 571 CB MET A 38 8.622 -6.420 -9.157 1.00 0.00 C ATOM 572 CG MET A 38 8.842 -7.474 -8.067 1.00 0.00 C ATOM 573 SD MET A 38 10.575 -7.453 -7.544 1.00 0.00 S ATOM 574 CE MET A 38 10.416 -8.638 -6.185 1.00 0.00 C ATOM 0 H MET A 38 6.903 -5.612 -7.555 1.00 0.00 H new ATOM 0 HA MET A 38 9.619 -4.919 -7.974 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.651 -6.570 -9.630 1.00 0.00 H new ATOM 0 HB3 MET A 38 9.376 -6.527 -9.937 1.00 0.00 H new ATOM 0 HG2 MET A 38 8.192 -7.272 -7.215 1.00 0.00 H new ATOM 0 HG3 MET A 38 8.577 -8.462 -8.443 1.00 0.00 H new ATOM 0 HE1 MET A 38 11.387 -8.779 -5.710 1.00 0.00 H new ATOM 0 HE2 MET A 38 9.705 -8.257 -5.452 1.00 0.00 H new ATOM 0 HE3 MET A 38 10.060 -9.592 -6.574 1.00 0.00 H new ATOM 584 N LYS A 39 7.536 -3.348 -9.874 1.00 0.00 N ATOM 585 CA LYS A 39 7.420 -2.305 -10.941 1.00 0.00 C ATOM 586 C LYS A 39 7.520 -0.913 -10.310 1.00 0.00 C ATOM 587 O LYS A 39 8.227 -0.052 -10.794 1.00 0.00 O ATOM 588 CB LYS A 39 6.063 -2.445 -11.638 1.00 0.00 C ATOM 589 CG LYS A 39 5.990 -3.800 -12.355 1.00 0.00 C ATOM 590 CD LYS A 39 4.548 -4.079 -12.804 1.00 0.00 C ATOM 591 CE LYS A 39 4.093 -3.025 -13.823 1.00 0.00 C ATOM 592 NZ LYS A 39 2.897 -3.530 -14.554 1.00 0.00 N ATOM 0 H LYS A 39 6.678 -3.521 -9.351 1.00 0.00 H new ATOM 0 HA LYS A 39 8.224 -2.435 -11.666 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.258 -2.365 -10.908 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.926 -1.635 -12.354 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.655 -3.800 -13.219 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.332 -4.592 -11.689 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.484 -5.073 -13.246 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.883 -4.070 -11.940 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.855 -2.090 -13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.899 -2.810 -14.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.586 -2.818 -15.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.140 -4.411 -15.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.129 -3.714 -13.878 1.00 0.00 H new ATOM 606 N TYR A 40 6.815 -0.685 -9.232 1.00 0.00 N ATOM 607 CA TYR A 40 6.865 0.645 -8.570 1.00 0.00 C ATOM 608 C TYR A 40 8.175 0.779 -7.798 1.00 0.00 C ATOM 609 O TYR A 40 8.391 1.736 -7.082 1.00 0.00 O ATOM 610 CB TYR A 40 5.687 0.765 -7.607 1.00 0.00 C ATOM 611 CG TYR A 40 4.405 0.499 -8.358 1.00 0.00 C ATOM 612 CD1 TYR A 40 3.977 1.410 -9.327 1.00 0.00 C ATOM 613 CD2 TYR A 40 3.650 -0.652 -8.095 1.00 0.00 C ATOM 614 CE1 TYR A 40 2.796 1.176 -10.037 1.00 0.00 C ATOM 615 CE2 TYR A 40 2.467 -0.886 -8.805 1.00 0.00 C ATOM 616 CZ TYR A 40 2.040 0.028 -9.776 1.00 0.00 C ATOM 617 OH TYR A 40 0.874 -0.204 -10.477 1.00 0.00 O ATOM 0 H TYR A 40 6.205 -1.368 -8.783 1.00 0.00 H new ATOM 0 HA TYR A 40 6.808 1.434 -9.319 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.797 0.054 -6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.664 1.761 -7.164 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.560 2.297 -9.528 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.980 -1.357 -7.346 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.467 1.881 -10.786 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.883 -1.772 -8.604 1.00 0.00 H new ATOM 0 HH TYR A 40 0.117 -0.225 -9.855 1.00 0.00 H new ATOM 627 N GLN A 41 9.054 -0.174 -7.941 1.00 0.00 N ATOM 628 CA GLN A 41 10.355 -0.104 -7.219 1.00 0.00 C ATOM 629 C GLN A 41 11.020 1.244 -7.506 1.00 0.00 C ATOM 630 O GLN A 41 11.867 1.703 -6.766 1.00 0.00 O ATOM 631 CB GLN A 41 11.258 -1.242 -7.697 1.00 0.00 C ATOM 632 CG GLN A 41 11.289 -1.267 -9.227 1.00 0.00 C ATOM 633 CD GLN A 41 12.283 -2.330 -9.699 1.00 0.00 C ATOM 634 OE1 GLN A 41 12.107 -3.503 -9.436 1.00 0.00 O ATOM 635 NE2 GLN A 41 13.328 -1.967 -10.392 1.00 0.00 N ATOM 0 H GLN A 41 8.927 -0.999 -8.527 1.00 0.00 H new ATOM 0 HA GLN A 41 10.190 -0.202 -6.146 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.266 -1.108 -7.305 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.892 -2.195 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.295 -1.484 -9.618 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.576 -0.288 -9.612 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.476 -0.982 -10.613 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.996 -2.668 -10.712 1.00 0.00 H new ATOM 644 N ASN A 42 10.631 1.885 -8.577 1.00 0.00 N ATOM 645 CA ASN A 42 11.221 3.212 -8.924 1.00 0.00 C ATOM 646 C ASN A 42 10.364 4.314 -8.300 1.00 0.00 C ATOM 647 O ASN A 42 10.807 5.431 -8.116 1.00 0.00 O ATOM 648 CB ASN A 42 11.236 3.380 -10.445 1.00 0.00 C ATOM 649 CG ASN A 42 9.824 3.168 -10.996 1.00 0.00 C ATOM 650 OD1 ASN A 42 8.990 2.570 -10.347 1.00 0.00 O ATOM 651 ND2 ASN A 42 9.520 3.639 -12.174 1.00 0.00 N ATOM 0 H ASN A 42 9.926 1.544 -9.230 1.00 0.00 H new ATOM 0 HA ASN A 42 12.240 3.275 -8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.595 4.375 -10.708 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.924 2.664 -10.894 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.581 3.505 -12.550 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.221 4.141 -12.719 1.00 0.00 H new ATOM 658 N ASP A 43 9.133 4.008 -7.974 1.00 0.00 N ATOM 659 CA ASP A 43 8.238 5.036 -7.361 1.00 0.00 C ATOM 660 C ASP A 43 8.512 5.108 -5.851 1.00 0.00 C ATOM 661 O ASP A 43 7.888 4.426 -5.061 1.00 0.00 O ATOM 662 CB ASP A 43 6.775 4.639 -7.619 1.00 0.00 C ATOM 663 CG ASP A 43 5.868 5.868 -7.506 1.00 0.00 C ATOM 664 OD1 ASP A 43 6.100 6.672 -6.618 1.00 0.00 O ATOM 665 OD2 ASP A 43 4.958 5.983 -8.310 1.00 0.00 O ATOM 0 H ASP A 43 8.709 3.090 -8.106 1.00 0.00 H new ATOM 0 HA ASP A 43 8.428 6.015 -7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.680 4.197 -8.611 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.464 3.881 -6.901 1.00 0.00 H new ATOM 670 N LYS A 44 9.453 5.921 -5.450 1.00 0.00 N ATOM 671 CA LYS A 44 9.794 6.032 -4.006 1.00 0.00 C ATOM 672 C LYS A 44 8.529 6.244 -3.167 1.00 0.00 C ATOM 673 O LYS A 44 8.471 5.865 -2.014 1.00 0.00 O ATOM 674 CB LYS A 44 10.743 7.215 -3.801 1.00 0.00 C ATOM 675 CG LYS A 44 11.239 7.233 -2.353 1.00 0.00 C ATOM 676 CD LYS A 44 12.299 8.324 -2.189 1.00 0.00 C ATOM 677 CE LYS A 44 12.883 8.260 -0.776 1.00 0.00 C ATOM 678 NZ LYS A 44 13.515 6.928 -0.559 1.00 0.00 N ATOM 0 H LYS A 44 10.003 6.517 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 44 10.274 5.107 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.589 7.138 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.231 8.149 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.406 7.416 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.658 6.262 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.090 8.191 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.858 9.305 -2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.621 9.051 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.098 8.426 -0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.410 7.048 -0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.874 6.326 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.704 6.479 -1.478 1.00 0.00 H new ATOM 692 N GLU A 45 7.518 6.846 -3.730 1.00 0.00 N ATOM 693 CA GLU A 45 6.267 7.075 -2.952 1.00 0.00 C ATOM 694 C GLU A 45 5.630 5.725 -2.605 1.00 0.00 C ATOM 695 O GLU A 45 5.315 5.451 -1.467 1.00 0.00 O ATOM 696 CB GLU A 45 5.291 7.909 -3.794 1.00 0.00 C ATOM 697 CG GLU A 45 4.114 8.378 -2.927 1.00 0.00 C ATOM 698 CD GLU A 45 4.593 9.439 -1.933 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.334 10.317 -2.344 1.00 0.00 O ATOM 700 OE2 GLU A 45 4.210 9.356 -0.777 1.00 0.00 O ATOM 0 H GLU A 45 7.503 7.188 -4.691 1.00 0.00 H new ATOM 0 HA GLU A 45 6.499 7.611 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.808 8.771 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.923 7.316 -4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.326 8.788 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.685 7.531 -2.391 1.00 0.00 H new ATOM 707 N VAL A 46 5.442 4.883 -3.582 1.00 0.00 N ATOM 708 CA VAL A 46 4.827 3.551 -3.323 1.00 0.00 C ATOM 709 C VAL A 46 5.759 2.719 -2.452 1.00 0.00 C ATOM 710 O VAL A 46 5.325 1.939 -1.646 1.00 0.00 O ATOM 711 CB VAL A 46 4.616 2.820 -4.649 1.00 0.00 C ATOM 712 CG1 VAL A 46 3.895 1.491 -4.400 1.00 0.00 C ATOM 713 CG2 VAL A 46 3.777 3.689 -5.587 1.00 0.00 C ATOM 0 H VAL A 46 5.690 5.061 -4.555 1.00 0.00 H new ATOM 0 HA VAL A 46 3.872 3.691 -2.817 1.00 0.00 H new ATOM 0 HB VAL A 46 5.585 2.623 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.747 0.974 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.497 0.869 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.927 1.683 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.628 3.166 -6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.809 3.891 -5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.295 4.630 -5.771 1.00 0.00 H new ATOM 723 N MET A 47 7.037 2.872 -2.617 1.00 0.00 N ATOM 724 CA MET A 47 7.989 2.073 -1.797 1.00 0.00 C ATOM 725 C MET A 47 7.793 2.421 -0.330 1.00 0.00 C ATOM 726 O MET A 47 7.701 1.562 0.513 1.00 0.00 O ATOM 727 CB MET A 47 9.427 2.395 -2.209 1.00 0.00 C ATOM 728 CG MET A 47 9.660 1.958 -3.656 1.00 0.00 C ATOM 729 SD MET A 47 11.276 2.560 -4.211 1.00 0.00 S ATOM 730 CE MET A 47 12.271 1.175 -3.601 1.00 0.00 C ATOM 0 H MET A 47 7.467 3.514 -3.283 1.00 0.00 H new ATOM 0 HA MET A 47 7.802 1.011 -1.955 1.00 0.00 H new ATOM 0 HB2 MET A 47 9.614 3.464 -2.108 1.00 0.00 H new ATOM 0 HB3 MET A 47 10.128 1.885 -1.548 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.619 0.871 -3.731 1.00 0.00 H new ATOM 0 HG3 MET A 47 8.872 2.352 -4.298 1.00 0.00 H new ATOM 0 HE1 MET A 47 13.320 1.346 -3.842 1.00 0.00 H new ATOM 0 HE2 MET A 47 12.156 1.093 -2.520 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.937 0.251 -4.073 1.00 0.00 H new ATOM 740 N ASP A 48 7.725 3.678 -0.024 1.00 0.00 N ATOM 741 CA ASP A 48 7.531 4.093 1.388 1.00 0.00 C ATOM 742 C ASP A 48 6.180 3.575 1.896 1.00 0.00 C ATOM 743 O ASP A 48 6.020 3.243 3.056 1.00 0.00 O ATOM 744 CB ASP A 48 7.555 5.629 1.442 1.00 0.00 C ATOM 745 CG ASP A 48 9.003 6.130 1.468 1.00 0.00 C ATOM 746 OD1 ASP A 48 9.832 5.522 0.810 1.00 0.00 O ATOM 747 OD2 ASP A 48 9.258 7.113 2.145 1.00 0.00 O ATOM 0 H ASP A 48 7.796 4.444 -0.694 1.00 0.00 H new ATOM 0 HA ASP A 48 8.321 3.682 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.035 6.040 0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.025 5.978 2.328 1.00 0.00 H new ATOM 752 N VAL A 49 5.205 3.518 1.036 1.00 0.00 N ATOM 753 CA VAL A 49 3.855 3.050 1.453 1.00 0.00 C ATOM 754 C VAL A 49 3.830 1.525 1.569 1.00 0.00 C ATOM 755 O VAL A 49 3.474 0.972 2.588 1.00 0.00 O ATOM 756 CB VAL A 49 2.857 3.507 0.385 1.00 0.00 C ATOM 757 CG1 VAL A 49 1.462 2.943 0.681 1.00 0.00 C ATOM 758 CG2 VAL A 49 2.808 5.042 0.370 1.00 0.00 C ATOM 0 H VAL A 49 5.285 3.778 0.053 1.00 0.00 H new ATOM 0 HA VAL A 49 3.597 3.465 2.427 1.00 0.00 H new ATOM 0 HB VAL A 49 3.178 3.138 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.764 3.277 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.503 1.854 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.126 3.297 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.100 5.376 -0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.492 5.406 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.798 5.435 0.140 1.00 0.00 H new ATOM 768 N PHE A 50 4.198 0.850 0.526 1.00 0.00 N ATOM 769 CA PHE A 50 4.191 -0.635 0.547 1.00 0.00 C ATOM 770 C PHE A 50 5.236 -1.132 1.549 1.00 0.00 C ATOM 771 O PHE A 50 5.109 -2.199 2.117 1.00 0.00 O ATOM 772 CB PHE A 50 4.478 -1.159 -0.880 1.00 0.00 C ATOM 773 CG PHE A 50 3.191 -1.691 -1.481 1.00 0.00 C ATOM 774 CD1 PHE A 50 2.126 -0.812 -1.702 1.00 0.00 C ATOM 775 CD2 PHE A 50 3.055 -3.051 -1.796 1.00 0.00 C ATOM 776 CE1 PHE A 50 0.925 -1.285 -2.240 1.00 0.00 C ATOM 777 CE2 PHE A 50 1.854 -3.523 -2.336 1.00 0.00 C ATOM 778 CZ PHE A 50 0.789 -2.642 -2.558 1.00 0.00 C ATOM 0 H PHE A 50 4.508 1.266 -0.352 1.00 0.00 H new ATOM 0 HA PHE A 50 3.217 -1.010 0.862 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.880 -0.358 -1.501 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.231 -1.946 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.231 0.234 -1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.875 -3.732 -1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.104 -0.605 -2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.748 -4.569 -2.582 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.137 -3.009 -2.974 1.00 0.00 H new ATOM 788 N ASN A 51 6.256 -0.356 1.788 1.00 0.00 N ATOM 789 CA ASN A 51 7.294 -0.776 2.772 1.00 0.00 C ATOM 790 C ASN A 51 6.757 -0.506 4.170 1.00 0.00 C ATOM 791 O ASN A 51 7.127 -1.157 5.126 1.00 0.00 O ATOM 792 CB ASN A 51 8.585 0.019 2.561 1.00 0.00 C ATOM 793 CG ASN A 51 9.641 -0.452 3.563 1.00 0.00 C ATOM 794 OD1 ASN A 51 9.875 -1.635 3.706 1.00 0.00 O ATOM 795 ND2 ASN A 51 10.294 0.432 4.267 1.00 0.00 N ATOM 0 H ASN A 51 6.416 0.549 1.346 1.00 0.00 H new ATOM 0 HA ASN A 51 7.517 -1.835 2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.947 -0.118 1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.394 1.084 2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.001 0.129 4.937 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.098 1.426 4.147 1.00 0.00 H new ATOM 802 N LYS A 52 5.862 0.439 4.296 1.00 0.00 N ATOM 803 CA LYS A 52 5.285 0.731 5.635 1.00 0.00 C ATOM 804 C LYS A 52 4.234 -0.327 5.913 1.00 0.00 C ATOM 805 O LYS A 52 4.198 -0.948 6.953 1.00 0.00 O ATOM 806 CB LYS A 52 4.626 2.113 5.628 1.00 0.00 C ATOM 807 CG LYS A 52 3.982 2.382 6.993 1.00 0.00 C ATOM 808 CD LYS A 52 3.543 3.848 7.078 1.00 0.00 C ATOM 809 CE LYS A 52 3.013 4.147 8.483 1.00 0.00 C ATOM 810 NZ LYS A 52 4.142 4.127 9.454 1.00 0.00 N ATOM 0 H LYS A 52 5.509 1.016 3.533 1.00 0.00 H new ATOM 0 HA LYS A 52 6.063 0.722 6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.368 2.880 5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.872 2.164 4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.123 1.726 7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.690 2.158 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.383 4.503 6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.770 4.050 6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.523 5.120 8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.263 3.408 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.769 4.007 10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.780 3.337 9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.666 5.023 9.395 1.00 0.00 H new ATOM 824 N ILE A 53 3.386 -0.536 4.958 1.00 0.00 N ATOM 825 CA ILE A 53 2.312 -1.549 5.089 1.00 0.00 C ATOM 826 C ILE A 53 2.927 -2.878 5.547 1.00 0.00 C ATOM 827 O ILE A 53 2.376 -3.580 6.370 1.00 0.00 O ATOM 828 CB ILE A 53 1.645 -1.687 3.692 1.00 0.00 C ATOM 829 CG1 ILE A 53 0.313 -0.925 3.668 1.00 0.00 C ATOM 830 CG2 ILE A 53 1.397 -3.152 3.300 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.530 0.549 4.034 1.00 0.00 C ATOM 0 H ILE A 53 3.391 -0.036 4.069 1.00 0.00 H new ATOM 0 HA ILE A 53 1.565 -1.258 5.828 1.00 0.00 H new ATOM 0 HB ILE A 53 2.338 -1.262 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.136 -0.997 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.386 -1.381 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.930 -3.191 2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.346 -3.687 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.739 -3.618 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.425 1.074 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.958 0.616 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.212 1.006 3.316 1.00 0.00 H new ATOM 843 N SER A 54 4.051 -3.234 4.995 1.00 0.00 N ATOM 844 CA SER A 54 4.695 -4.530 5.364 1.00 0.00 C ATOM 845 C SER A 54 5.482 -4.417 6.676 1.00 0.00 C ATOM 846 O SER A 54 5.686 -5.401 7.360 1.00 0.00 O ATOM 847 CB SER A 54 5.640 -4.955 4.239 1.00 0.00 C ATOM 848 OG SER A 54 6.439 -6.044 4.683 1.00 0.00 O ATOM 0 H SER A 54 4.556 -2.683 4.301 1.00 0.00 H new ATOM 0 HA SER A 54 3.911 -5.274 5.507 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.068 -5.244 3.358 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.275 -4.119 3.946 1.00 0.00 H new ATOM 0 HG SER A 54 7.045 -6.320 3.964 1.00 0.00 H new ATOM 854 N GLN A 55 5.941 -3.247 7.040 1.00 0.00 N ATOM 855 CA GLN A 55 6.721 -3.125 8.308 1.00 0.00 C ATOM 856 C GLN A 55 5.760 -3.221 9.491 1.00 0.00 C ATOM 857 O GLN A 55 6.107 -3.708 10.549 1.00 0.00 O ATOM 858 CB GLN A 55 7.454 -1.770 8.333 1.00 0.00 C ATOM 859 CG GLN A 55 8.766 -1.864 7.536 1.00 0.00 C ATOM 860 CD GLN A 55 9.796 -2.674 8.329 1.00 0.00 C ATOM 861 OE1 GLN A 55 10.392 -2.173 9.262 1.00 0.00 O ATOM 862 NE2 GLN A 55 10.032 -3.913 7.994 1.00 0.00 N ATOM 0 H GLN A 55 5.811 -2.379 6.520 1.00 0.00 H new ATOM 0 HA GLN A 55 7.458 -3.926 8.371 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.816 -0.995 7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.665 -1.481 9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.583 -2.336 6.571 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.152 -0.865 7.334 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.532 -4.334 7.211 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.717 -4.461 8.515 1.00 0.00 H new ATOM 871 N LEU A 56 4.555 -2.752 9.315 1.00 0.00 N ATOM 872 CA LEU A 56 3.547 -2.796 10.416 1.00 0.00 C ATOM 873 C LEU A 56 2.613 -3.993 10.206 1.00 0.00 C ATOM 874 O LEU A 56 2.045 -4.513 11.146 1.00 0.00 O ATOM 875 CB LEU A 56 2.739 -1.490 10.397 1.00 0.00 C ATOM 876 CG LEU A 56 3.681 -0.298 10.170 1.00 0.00 C ATOM 877 CD1 LEU A 56 2.877 1.000 10.231 1.00 0.00 C ATOM 878 CD2 LEU A 56 4.780 -0.280 11.242 1.00 0.00 C ATOM 0 H LEU A 56 4.221 -2.335 8.446 1.00 0.00 H new ATOM 0 HA LEU A 56 4.047 -2.903 11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.988 -1.528 9.607 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.205 -1.369 11.339 1.00 0.00 H new ATOM 0 HG LEU A 56 4.149 -0.392 9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.543 1.848 10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.109 0.989 9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.405 1.090 11.209 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.441 0.569 11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.325 -0.192 12.228 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.355 -1.204 11.189 1.00 0.00 H new ATOM 890 N PHE A 57 2.458 -4.435 8.976 1.00 0.00 N ATOM 891 CA PHE A 57 1.560 -5.604 8.678 1.00 0.00 C ATOM 892 C PHE A 57 2.356 -6.691 7.933 1.00 0.00 C ATOM 893 O PHE A 57 1.945 -7.157 6.888 1.00 0.00 O ATOM 894 CB PHE A 57 0.376 -5.132 7.802 1.00 0.00 C ATOM 895 CG PHE A 57 -0.004 -3.710 8.174 1.00 0.00 C ATOM 896 CD1 PHE A 57 -0.215 -3.379 9.515 1.00 0.00 C ATOM 897 CD2 PHE A 57 -0.142 -2.725 7.183 1.00 0.00 C ATOM 898 CE1 PHE A 57 -0.563 -2.071 9.871 1.00 0.00 C ATOM 899 CE2 PHE A 57 -0.490 -1.417 7.540 1.00 0.00 C ATOM 900 CZ PHE A 57 -0.700 -1.090 8.883 1.00 0.00 C ATOM 0 H PHE A 57 2.919 -4.033 8.160 1.00 0.00 H new ATOM 0 HA PHE A 57 1.178 -6.017 9.612 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.649 -5.181 6.748 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.478 -5.795 7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.109 -4.135 10.279 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.020 -2.977 6.145 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.726 -1.819 10.908 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.596 -0.660 6.777 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.968 -0.080 9.158 1.00 0.00 H new ATOM 910 N PRO A 58 3.482 -7.100 8.465 1.00 0.00 N ATOM 911 CA PRO A 58 4.333 -8.155 7.831 1.00 0.00 C ATOM 912 C PRO A 58 3.624 -9.516 7.798 1.00 0.00 C ATOM 913 O PRO A 58 4.147 -10.487 7.289 1.00 0.00 O ATOM 914 CB PRO A 58 5.585 -8.202 8.729 1.00 0.00 C ATOM 915 CG PRO A 58 5.120 -7.680 10.051 1.00 0.00 C ATOM 916 CD PRO A 58 4.075 -6.612 9.723 1.00 0.00 C ATOM 0 HA PRO A 58 4.564 -7.931 6.790 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.972 -9.217 8.817 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.389 -7.589 8.321 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.690 -8.476 10.658 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.948 -7.257 10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.329 -6.522 10.512 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.529 -5.629 9.600 1.00 0.00 H new ATOM 924 N GLY A 59 2.439 -9.591 8.339 1.00 0.00 N ATOM 925 CA GLY A 59 1.700 -10.885 8.338 1.00 0.00 C ATOM 926 C GLY A 59 0.438 -10.755 9.192 1.00 0.00 C ATOM 927 O GLY A 59 0.439 -11.055 10.369 1.00 0.00 O ATOM 0 H GLY A 59 1.951 -8.812 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.434 -11.163 7.318 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.336 -11.679 8.729 1.00 0.00 H new ATOM 931 N MET A 60 -0.642 -10.308 8.608 1.00 0.00 N ATOM 932 CA MET A 60 -1.905 -10.158 9.385 1.00 0.00 C ATOM 933 C MET A 60 -3.063 -9.897 8.420 1.00 0.00 C ATOM 934 O MET A 60 -4.001 -10.665 8.337 1.00 0.00 O ATOM 935 CB MET A 60 -1.765 -8.978 10.361 1.00 0.00 C ATOM 936 CG MET A 60 -2.975 -8.913 11.309 1.00 0.00 C ATOM 937 SD MET A 60 -4.374 -8.135 10.462 1.00 0.00 S ATOM 938 CE MET A 60 -5.645 -8.572 11.673 1.00 0.00 C ATOM 0 H MET A 60 -0.703 -10.040 7.626 1.00 0.00 H new ATOM 0 HA MET A 60 -2.103 -11.070 9.948 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.848 -9.085 10.940 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.683 -8.045 9.803 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.248 -9.917 11.635 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.718 -8.346 12.204 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.609 -8.183 11.345 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.703 -9.657 11.764 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.390 -8.140 12.640 1.00 0.00 H new ATOM 948 N THR A 61 -3.006 -8.817 7.688 1.00 0.00 N ATOM 949 CA THR A 61 -4.104 -8.508 6.729 1.00 0.00 C ATOM 950 C THR A 61 -4.251 -9.660 5.732 1.00 0.00 C ATOM 951 O THR A 61 -5.292 -9.847 5.134 1.00 0.00 O ATOM 952 CB THR A 61 -3.776 -7.217 5.973 1.00 0.00 C ATOM 953 OG1 THR A 61 -4.671 -7.070 4.880 1.00 0.00 O ATOM 954 CG2 THR A 61 -2.338 -7.276 5.454 1.00 0.00 C ATOM 0 H THR A 61 -2.247 -8.136 7.713 1.00 0.00 H new ATOM 0 HA THR A 61 -5.038 -8.380 7.277 1.00 0.00 H new ATOM 0 HB THR A 61 -3.881 -6.366 6.646 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.463 -6.243 4.396 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.107 -6.356 4.916 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.652 -7.387 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.229 -8.127 4.781 1.00 0.00 H new ATOM 962 N GLY A 62 -3.216 -10.433 5.547 1.00 0.00 N ATOM 963 CA GLY A 62 -3.298 -11.571 4.589 1.00 0.00 C ATOM 964 C GLY A 62 -4.406 -12.530 5.026 1.00 0.00 C ATOM 965 O GLY A 62 -4.084 -13.541 5.628 1.00 0.00 O ATOM 966 OXT GLY A 62 -5.558 -12.237 4.752 1.00 0.00 O ATOM 0 H GLY A 62 -2.318 -10.326 6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.500 -11.200 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.343 -12.096 4.549 1.00 0.00 H new TER 970 GLY A 62