USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 588 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 62 GLN : amide:sc= 0 K(o=0.65,f=-0.25) USER MOD Set 1.2: A 65 GLN : amide:sc= 0.436 K(o=0.65,f=-1.1) USER MOD Set 1.3: A 66 GLN : amide:sc= 0.214 K(o=0.65,f=-2.4) USER MOD Set 2.1: A 49 SER OG : rot 130:sc= 0.0414 USER MOD Set 2.2: A 53 ASN : amide:sc= -0.032 K(o=0.0094,f=-1.8) USER MOD Single : A 7 ASN : amide:sc=-0.00842 X(o=-0.0084,f=-0.053) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.716 X(o=-0.72,f=-0.3) USER MOD Single : A 18 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.032) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -7.46! C(o=-7.5!,f=-7.4!) USER MOD Single : A 23 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.45) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0969 USER MOD Single : A 31 ASN : amide:sc= -2.42! X(o=-2.4!,f=-2.8) USER MOD Single : A 33 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.6!) USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= -0.111 (180deg=-0.612) USER MOD Single : A 38 GLN : amide:sc= -0.261 K(o=-0.26,f=-2.3!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.149 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -21.990 -4.934 -1.886 1.00 6.51 N ATOM 2 CA ILE A 6 -21.337 -5.907 -1.021 1.00 5.95 C ATOM 3 C ILE A 6 -20.077 -5.315 -0.404 1.00 5.14 C ATOM 4 O ILE A 6 -19.234 -4.754 -1.105 1.00 5.46 O ATOM 5 CB ILE A 6 -20.983 -7.158 -1.818 1.00 6.67 C ATOM 6 CG1 ILE A 6 -20.054 -6.810 -2.978 1.00 7.44 C ATOM 7 CG2 ILE A 6 -22.243 -7.847 -2.329 1.00 6.84 C ATOM 8 CD1 ILE A 6 -18.635 -7.318 -2.733 1.00 8.10 C ATOM 0 HA ILE A 6 -22.026 -6.173 -0.219 1.00 5.95 H new ATOM 0 HB ILE A 6 -20.462 -7.849 -1.155 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -20.443 -7.244 -3.899 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -20.035 -5.729 -3.118 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -21.967 -8.737 -2.895 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -22.869 -8.134 -1.484 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -22.795 -7.164 -2.974 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -18.002 -7.052 -3.580 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -18.237 -6.863 -1.826 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -18.651 -8.402 -2.619 1.00 8.10 H new ATOM 20 N ASN A 7 -19.955 -5.439 0.914 1.00 4.48 N ATOM 21 CA ASN A 7 -18.797 -4.916 1.629 1.00 4.06 C ATOM 22 C ASN A 7 -18.265 -5.950 2.613 1.00 3.11 C ATOM 23 O ASN A 7 -18.584 -5.911 3.801 1.00 3.46 O ATOM 24 CB ASN A 7 -19.177 -3.640 2.373 1.00 4.82 C ATOM 25 CG ASN A 7 -19.471 -2.519 1.384 1.00 5.60 C ATOM 26 OD1 ASN A 7 -20.574 -2.425 0.846 1.00 5.87 O ATOM 27 ND2 ASN A 7 -18.481 -1.667 1.144 1.00 6.34 N ATOM 0 H ASN A 7 -20.645 -5.898 1.509 1.00 4.48 H new ATOM 0 HA ASN A 7 -18.015 -4.690 0.904 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -20.052 -3.822 2.998 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -18.366 -3.344 3.038 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -18.619 -0.896 0.491 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -17.583 -1.784 1.613 1.00 6.34 H new ATOM 34 N ARG A 8 -17.453 -6.874 2.111 1.00 2.49 N ATOM 35 CA ARG A 8 -16.875 -7.920 2.947 1.00 2.11 C ATOM 36 C ARG A 8 -15.357 -7.797 2.985 1.00 1.69 C ATOM 37 O ARG A 8 -14.640 -8.787 2.840 1.00 2.38 O ATOM 38 CB ARG A 8 -17.273 -9.293 2.413 1.00 2.95 C ATOM 39 CG ARG A 8 -18.645 -9.719 2.929 1.00 3.61 C ATOM 40 CD ARG A 8 -19.653 -9.862 1.792 1.00 4.57 C ATOM 41 NE ARG A 8 -19.176 -10.826 0.808 1.00 5.39 N ATOM 42 CZ ARG A 8 -18.785 -12.047 1.159 1.00 6.19 C ATOM 43 NH1 ARG A 8 -19.671 -13.032 1.241 1.00 6.68 N ATOM 44 NH2 ARG A 8 -17.508 -12.285 1.427 1.00 6.74 N ATOM 0 H ARG A 8 -17.180 -6.920 1.129 1.00 2.49 H new ATOM 0 HA ARG A 8 -17.258 -7.805 3.961 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -17.284 -9.271 1.323 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -16.527 -10.030 2.710 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -18.557 -10.667 3.459 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -19.008 -8.985 3.648 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -20.616 -10.184 2.189 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -19.813 -8.895 1.315 1.00 4.57 H new ATOM 0 HE ARG A 8 -19.141 -10.557 -0.175 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -20.654 -12.853 1.034 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -19.369 -13.968 1.510 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -16.824 -11.531 1.364 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -17.210 -13.222 1.696 1.00 6.74 H new ATOM 58 N MET A 9 -14.873 -6.574 3.181 1.00 1.18 N ATOM 59 CA MET A 9 -13.438 -6.317 3.241 1.00 0.82 C ATOM 60 C MET A 9 -12.774 -6.667 1.915 1.00 0.72 C ATOM 61 O MET A 9 -12.890 -7.792 1.429 1.00 0.97 O ATOM 62 CB MET A 9 -12.810 -7.133 4.367 1.00 1.08 C ATOM 63 CG MET A 9 -12.210 -6.235 5.445 1.00 1.61 C ATOM 64 SD MET A 9 -13.119 -6.318 6.997 1.00 2.27 S ATOM 65 CE MET A 9 -11.924 -5.593 8.131 1.00 2.82 C ATOM 0 H MET A 9 -15.454 -5.745 3.301 1.00 1.18 H new ATOM 0 HA MET A 9 -13.284 -5.256 3.437 1.00 0.82 H new ATOM 0 HB2 MET A 9 -13.565 -7.782 4.812 1.00 1.08 H new ATOM 0 HB3 MET A 9 -12.034 -7.780 3.959 1.00 1.08 H new ATOM 0 HG2 MET A 9 -11.174 -6.524 5.619 1.00 1.61 H new ATOM 0 HG3 MET A 9 -12.198 -5.205 5.090 1.00 1.61 H new ATOM 0 HE1 MET A 9 -12.342 -5.574 9.137 1.00 2.82 H new ATOM 0 HE2 MET A 9 -11.012 -6.189 8.128 1.00 2.82 H new ATOM 0 HE3 MET A 9 -11.694 -4.576 7.815 1.00 2.82 H new ATOM 75 N ASP A 10 -12.075 -5.696 1.334 1.00 0.49 N ATOM 76 CA ASP A 10 -11.389 -5.902 0.064 1.00 0.42 C ATOM 77 C ASP A 10 -9.888 -5.708 0.232 1.00 0.38 C ATOM 78 O ASP A 10 -9.418 -4.592 0.451 1.00 0.54 O ATOM 79 CB ASP A 10 -11.924 -4.929 -0.982 1.00 0.44 C ATOM 80 CG ASP A 10 -13.160 -5.506 -1.660 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.139 -6.702 -2.019 1.00 1.55 O ATOM 82 OD2 ASP A 10 -14.147 -4.761 -1.831 1.00 1.53 O ATOM 0 H ASP A 10 -11.969 -4.759 1.723 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.574 -6.923 -0.269 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.171 -3.978 -0.511 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.154 -4.726 -1.727 1.00 0.44 H new ATOM 87 N TYR A 11 -9.138 -6.801 0.129 1.00 0.40 N ATOM 88 CA TYR A 11 -7.688 -6.749 0.274 1.00 0.37 C ATOM 89 C TYR A 11 -7.001 -7.099 -1.040 1.00 0.34 C ATOM 90 O TYR A 11 -7.596 -7.725 -1.918 1.00 0.38 O ATOM 91 CB TYR A 11 -7.238 -7.707 1.374 1.00 0.42 C ATOM 92 CG TYR A 11 -7.354 -9.161 0.981 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.553 -9.831 1.148 1.00 0.54 C ATOM 94 CD2 TYR A 11 -6.263 -9.828 0.453 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.660 -11.163 0.790 1.00 0.63 C ATOM 96 CE2 TYR A 11 -6.371 -11.161 0.094 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.564 -11.820 0.258 1.00 0.67 C ATOM 98 OH TYR A 11 -7.677 -13.146 -0.093 1.00 0.78 O ATOM 0 H TYR A 11 -9.511 -7.733 -0.054 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.405 -5.733 0.549 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.202 -7.489 1.635 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.836 -7.530 2.268 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.407 -9.313 1.559 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -5.326 -9.308 0.321 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.594 -11.688 0.925 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -5.518 -11.682 -0.315 1.00 0.67 H new ATOM 0 HH TYR A 11 -6.822 -13.463 -0.452 1.00 0.78 H new ATOM 108 N VAL A 12 -5.743 -6.694 -1.164 1.00 0.34 N ATOM 109 CA VAL A 12 -4.961 -6.962 -2.362 1.00 0.34 C ATOM 110 C VAL A 12 -3.474 -6.951 -2.034 1.00 0.35 C ATOM 111 O VAL A 12 -3.052 -6.352 -1.046 1.00 0.51 O ATOM 112 CB VAL A 12 -5.263 -5.913 -3.429 1.00 0.38 C ATOM 113 CG1 VAL A 12 -4.952 -4.511 -2.911 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.482 -6.202 -4.707 1.00 0.81 C ATOM 0 H VAL A 12 -5.241 -6.175 -0.443 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.232 -7.947 -2.743 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.327 -5.962 -3.662 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.174 -3.779 -3.687 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.562 -4.304 -2.032 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -3.897 -4.448 -2.644 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.712 -5.442 -5.454 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.414 -6.187 -4.492 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.761 -7.184 -5.090 1.00 0.81 H new ATOM 124 N GLU A 13 -2.685 -7.618 -2.867 1.00 0.49 N ATOM 125 CA GLU A 13 -1.243 -7.687 -2.661 1.00 0.54 C ATOM 126 C GLU A 13 -0.505 -7.195 -3.899 1.00 0.50 C ATOM 127 O GLU A 13 -0.549 -7.832 -4.952 1.00 0.60 O ATOM 128 CB GLU A 13 -0.826 -9.120 -2.346 1.00 0.67 C ATOM 129 CG GLU A 13 -1.806 -9.793 -1.388 1.00 1.05 C ATOM 130 CD GLU A 13 -1.082 -10.263 -0.133 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.358 -9.449 0.476 1.00 2.05 O ATOM 132 OE2 GLU A 13 -1.240 -11.445 0.237 1.00 1.97 O ATOM 0 H GLU A 13 -3.018 -8.119 -3.691 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.983 -7.046 -1.819 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.768 -9.694 -3.271 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.172 -9.121 -1.907 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.599 -9.095 -1.119 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.282 -10.641 -1.880 1.00 1.05 H new ATOM 139 N ILE A 14 0.174 -6.059 -3.771 1.00 0.48 N ATOM 140 CA ILE A 14 0.920 -5.488 -4.884 1.00 0.49 C ATOM 141 C ILE A 14 2.383 -5.907 -4.813 1.00 0.48 C ATOM 142 O ILE A 14 3.049 -5.704 -3.797 1.00 0.43 O ATOM 143 CB ILE A 14 0.801 -3.965 -4.873 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.513 -3.371 -3.657 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.664 -3.541 -4.898 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.312 -1.860 -3.569 1.00 0.63 C ATOM 0 H ILE A 14 0.222 -5.517 -2.908 1.00 0.48 H new ATOM 0 HA ILE A 14 0.498 -5.864 -5.816 1.00 0.49 H new ATOM 0 HB ILE A 14 1.286 -3.581 -5.770 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.137 -3.842 -2.749 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.578 -3.594 -3.714 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.728 -2.453 -4.890 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -1.139 -3.926 -5.801 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.174 -3.941 -4.021 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.832 -1.474 -2.692 1.00 0.63 H new ATOM 0 HD12 ILE A 14 1.712 -1.387 -4.466 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.248 -1.639 -3.486 1.00 0.63 H new ATOM 158 N ASN A 15 2.876 -6.501 -5.894 1.00 0.59 N ATOM 159 CA ASN A 15 4.260 -6.955 -5.953 1.00 0.62 C ATOM 160 C ASN A 15 5.196 -5.782 -6.207 1.00 0.60 C ATOM 161 O ASN A 15 5.006 -5.017 -7.152 1.00 0.78 O ATOM 162 CB ASN A 15 4.421 -7.999 -7.054 1.00 0.79 C ATOM 163 CG ASN A 15 5.349 -9.115 -6.593 1.00 1.31 C ATOM 164 OD1 ASN A 15 5.002 -10.294 -6.662 1.00 2.20 O ATOM 165 ND2 ASN A 15 6.533 -8.743 -6.120 1.00 1.54 N ATOM 0 H ASN A 15 2.337 -6.679 -6.742 1.00 0.59 H new ATOM 0 HA ASN A 15 4.519 -7.405 -4.994 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.447 -8.412 -7.318 1.00 0.79 H new ATOM 0 HB3 ASN A 15 4.823 -7.531 -7.953 1.00 0.79 H new ATOM 0 HD21 ASN A 15 7.197 -9.446 -5.796 1.00 1.54 H new ATOM 0 HD22 ASN A 15 6.779 -7.754 -6.081 1.00 1.54 H new ATOM 172 N ILE A 16 6.205 -5.645 -5.356 1.00 0.49 N ATOM 173 CA ILE A 16 7.173 -4.562 -5.482 1.00 0.49 C ATOM 174 C ILE A 16 8.588 -5.121 -5.577 1.00 0.56 C ATOM 175 O ILE A 16 8.893 -6.163 -4.998 1.00 0.66 O ATOM 176 CB ILE A 16 7.060 -3.627 -4.284 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.609 -3.208 -4.065 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.945 -2.401 -4.468 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.087 -2.368 -5.225 1.00 0.84 C ATOM 0 H ILE A 16 6.375 -6.272 -4.569 1.00 0.49 H new ATOM 0 HA ILE A 16 6.959 -4.004 -6.394 1.00 0.49 H new ATOM 0 HB ILE A 16 7.402 -4.166 -3.401 1.00 0.48 H new ATOM 0 HG12 ILE A 16 4.987 -4.095 -3.949 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.530 -2.639 -3.138 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.848 -1.748 -3.600 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.984 -2.714 -4.572 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.638 -1.862 -5.364 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.051 -2.088 -5.034 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.694 -1.468 -5.324 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.143 -2.947 -6.147 1.00 0.84 H new ATOM 191 N ASP A 17 9.447 -4.425 -6.314 1.00 0.63 N ATOM 192 CA ASP A 17 10.828 -4.856 -6.491 1.00 0.75 C ATOM 193 C ASP A 17 11.789 -3.906 -5.784 1.00 1.00 C ATOM 194 O ASP A 17 12.245 -4.181 -4.674 1.00 1.75 O ATOM 195 CB ASP A 17 11.165 -4.914 -7.976 1.00 1.27 C ATOM 196 CG ASP A 17 10.567 -6.165 -8.607 1.00 1.63 C ATOM 197 OD1 ASP A 17 10.124 -7.057 -7.853 1.00 2.16 O ATOM 198 OD2 ASP A 17 10.542 -6.250 -9.852 1.00 2.21 O ATOM 0 H ASP A 17 9.210 -3.559 -6.799 1.00 0.63 H new ATOM 0 HA ASP A 17 10.936 -5.848 -6.052 1.00 0.75 H new ATOM 0 HB2 ASP A 17 10.780 -4.026 -8.478 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.247 -4.912 -8.110 1.00 1.27 H new ATOM 203 N HIS A 18 12.101 -2.792 -6.440 1.00 1.27 N ATOM 204 CA HIS A 18 13.016 -1.802 -5.881 1.00 1.85 C ATOM 205 C HIS A 18 12.597 -1.418 -4.468 1.00 1.32 C ATOM 206 O HIS A 18 11.526 -1.805 -3.999 1.00 2.00 O ATOM 207 CB HIS A 18 13.049 -0.562 -6.767 1.00 2.83 C ATOM 208 CG HIS A 18 14.191 -0.566 -7.738 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.079 -0.140 -9.036 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.489 -0.949 -7.607 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.225 -0.248 -9.669 1.00 4.73 C ATOM 212 NE2 HIS A 18 16.114 -0.740 -8.824 1.00 4.84 N ATOM 0 H HIS A 18 11.733 -2.552 -7.361 1.00 1.27 H new ATOM 0 HA HIS A 18 14.013 -2.241 -5.840 1.00 1.85 H new ATOM 0 HB2 HIS A 18 12.111 -0.491 -7.318 1.00 2.83 H new ATOM 0 HB3 HIS A 18 13.117 0.326 -6.138 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.949 -1.345 -6.714 1.00 4.16 H new ATOM 0 HE1 HIS A 18 15.408 0.019 -10.699 1.00 4.73 H new ATOM 0 HE2 HIS A 18 17.094 -0.933 -9.033 1.00 4.84 H new ATOM 220 N LYS A 19 13.451 -0.655 -3.794 1.00 0.82 N ATOM 221 CA LYS A 19 13.179 -0.213 -2.431 1.00 0.84 C ATOM 222 C LYS A 19 12.098 0.860 -2.421 1.00 0.77 C ATOM 223 O LYS A 19 12.377 2.035 -2.185 1.00 1.13 O ATOM 224 CB LYS A 19 14.458 0.330 -1.800 1.00 1.47 C ATOM 225 CG LYS A 19 15.454 -0.787 -1.503 1.00 1.97 C ATOM 226 CD LYS A 19 16.813 -0.510 -2.139 1.00 2.72 C ATOM 227 CE LYS A 19 17.684 -1.763 -2.171 1.00 3.37 C ATOM 228 NZ LYS A 19 18.900 -1.558 -3.007 1.00 4.03 N ATOM 0 H LYS A 19 14.341 -0.329 -4.171 1.00 0.82 H new ATOM 0 HA LYS A 19 12.824 -1.066 -1.852 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.915 1.057 -2.471 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.214 0.856 -0.877 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.571 -0.894 -0.425 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.063 -1.733 -1.876 1.00 1.97 H new ATOM 0 HD2 LYS A 19 16.671 -0.139 -3.154 1.00 2.72 H new ATOM 0 HD3 LYS A 19 17.324 0.275 -1.581 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.979 -2.029 -1.156 1.00 3.37 H new ATOM 0 HE3 LYS A 19 17.107 -2.599 -2.565 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.471 -2.427 -3.008 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.617 -1.328 -3.981 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 19.462 -0.775 -2.616 1.00 4.03 H new ATOM 242 N PHE A 20 10.863 0.448 -2.686 1.00 0.63 N ATOM 243 CA PHE A 20 9.732 1.370 -2.717 1.00 0.61 C ATOM 244 C PHE A 20 9.290 1.751 -1.308 1.00 0.62 C ATOM 245 O PHE A 20 8.834 2.870 -1.074 1.00 0.95 O ATOM 246 CB PHE A 20 8.569 0.719 -3.458 1.00 0.62 C ATOM 247 CG PHE A 20 8.243 1.393 -4.766 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.262 1.832 -5.592 1.00 1.08 C ATOM 249 CD2 PHE A 20 6.924 1.576 -5.144 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.965 2.454 -6.792 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.625 2.197 -6.344 1.00 1.17 C ATOM 252 CZ PHE A 20 7.639 2.626 -7.173 1.00 1.19 C ATOM 0 H PHE A 20 10.619 -0.522 -2.883 1.00 0.63 H new ATOM 0 HA PHE A 20 10.044 2.278 -3.233 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.808 -0.328 -3.646 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.686 0.735 -2.819 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.292 1.689 -5.300 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.127 1.233 -4.501 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.762 2.805 -7.431 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.595 2.346 -6.632 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.404 3.095 -8.117 1.00 1.19 H new ATOM 262 N HIS A 21 9.410 0.812 -0.376 1.00 0.53 N ATOM 263 CA HIS A 21 9.006 1.050 1.006 1.00 0.57 C ATOM 264 C HIS A 21 9.743 2.243 1.596 1.00 0.69 C ATOM 265 O HIS A 21 9.147 3.289 1.853 1.00 1.03 O ATOM 266 CB HIS A 21 9.278 -0.186 1.855 1.00 0.54 C ATOM 267 CG HIS A 21 8.525 -1.396 1.390 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.097 -2.383 2.238 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.094 -1.782 0.160 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.441 -3.314 1.586 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.421 -2.981 0.307 1.00 0.42 N ATOM 0 H HIS A 21 9.783 -0.121 -0.552 1.00 0.53 H new ATOM 0 HA HIS A 21 7.938 1.266 1.008 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.346 -0.402 1.840 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.010 0.026 2.890 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.266 -2.393 3.244 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.249 -1.248 -0.766 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.995 -4.198 2.019 1.00 0.45 H new ATOM 279 N ARG A 22 11.043 2.077 1.824 1.00 0.68 N ATOM 280 CA ARG A 22 11.862 3.137 2.402 1.00 0.80 C ATOM 281 C ARG A 22 11.605 4.472 1.710 1.00 0.81 C ATOM 282 O ARG A 22 11.772 5.534 2.310 1.00 0.92 O ATOM 283 CB ARG A 22 13.340 2.775 2.300 1.00 0.93 C ATOM 284 CG ARG A 22 13.773 2.565 0.853 1.00 1.64 C ATOM 285 CD ARG A 22 14.452 3.808 0.283 1.00 2.14 C ATOM 286 NE ARG A 22 15.724 4.045 0.956 1.00 2.73 N ATOM 287 CZ ARG A 22 16.885 3.731 0.388 1.00 3.33 C ATOM 288 NH1 ARG A 22 17.479 4.588 -0.431 1.00 3.72 N ATOM 289 NH2 ARG A 22 17.454 2.559 0.639 1.00 3.95 N ATOM 0 H ARG A 22 11.552 1.218 1.617 1.00 0.68 H new ATOM 0 HA ARG A 22 11.588 3.239 3.452 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.940 3.567 2.748 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.532 1.867 2.872 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.457 1.718 0.797 1.00 1.64 H new ATOM 0 HG3 ARG A 22 12.904 2.314 0.245 1.00 1.64 H new ATOM 0 HD2 ARG A 22 14.617 3.682 -0.787 1.00 2.14 H new ATOM 0 HD3 ARG A 22 13.802 4.674 0.405 1.00 2.14 H new ATOM 0 HE ARG A 22 15.723 4.462 1.887 1.00 2.73 H new ATOM 0 HH11 ARG A 22 17.046 5.490 -0.627 1.00 3.72 H new ATOM 0 HH12 ARG A 22 18.369 4.345 -0.865 1.00 3.72 H new ATOM 0 HH21 ARG A 22 17.001 1.897 1.269 1.00 3.95 H new ATOM 0 HH22 ARG A 22 18.344 2.320 0.202 1.00 3.95 H new ATOM 303 N HIS A 23 11.197 4.411 0.448 1.00 0.90 N ATOM 304 CA HIS A 23 10.914 5.615 -0.326 1.00 0.98 C ATOM 305 C HIS A 23 9.500 6.108 -0.050 1.00 0.96 C ATOM 306 O HIS A 23 9.263 7.309 0.083 1.00 1.12 O ATOM 307 CB HIS A 23 11.072 5.327 -1.815 1.00 1.02 C ATOM 308 CG HIS A 23 12.385 5.788 -2.365 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.957 6.990 -2.040 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.256 5.210 -3.231 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.103 7.150 -2.660 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.320 6.076 -3.402 1.00 1.86 N ATOM 0 H HIS A 23 11.054 3.539 -0.062 1.00 0.90 H new ATOM 0 HA HIS A 23 11.622 6.389 -0.029 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.970 4.255 -1.985 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.265 5.815 -2.361 1.00 1.02 H new ATOM 0 HD2 HIS A 23 13.139 4.245 -3.702 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.754 8.008 -2.579 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.132 5.915 -3.997 1.00 1.86 H new ATOM 320 N LEU A 24 8.562 5.171 0.026 1.00 0.86 N ATOM 321 CA LEU A 24 7.164 5.499 0.276 1.00 0.87 C ATOM 322 C LEU A 24 6.952 5.914 1.726 1.00 0.97 C ATOM 323 O LEU A 24 6.499 7.025 2.000 1.00 1.16 O ATOM 324 CB LEU A 24 6.287 4.298 -0.056 1.00 0.73 C ATOM 325 CG LEU A 24 6.005 4.216 -1.552 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.028 2.767 -2.030 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.671 4.876 -1.881 1.00 1.25 C ATOM 0 H LEU A 24 8.746 4.174 -0.083 1.00 0.86 H new ATOM 0 HA LEU A 24 6.887 6.339 -0.362 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.779 3.383 0.274 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.347 4.369 0.490 1.00 0.73 H new ATOM 0 HG LEU A 24 6.792 4.755 -2.079 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.824 2.734 -3.100 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.009 2.335 -1.834 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.267 2.196 -1.498 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.486 4.808 -2.953 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.871 4.368 -1.342 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.701 5.924 -1.584 1.00 1.25 H new ATOM 339 N ILE A 25 7.272 5.017 2.650 1.00 0.92 N ATOM 340 CA ILE A 25 7.105 5.296 4.070 1.00 1.10 C ATOM 341 C ILE A 25 7.934 6.507 4.484 1.00 1.41 C ATOM 342 O ILE A 25 7.612 7.189 5.456 1.00 1.91 O ATOM 343 CB ILE A 25 7.487 4.066 4.896 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.997 3.819 4.891 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.757 2.832 4.384 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.437 3.097 6.161 1.00 0.91 C ATOM 0 H ILE A 25 7.648 4.092 2.442 1.00 0.92 H new ATOM 0 HA ILE A 25 6.057 5.528 4.259 1.00 1.10 H new ATOM 0 HB ILE A 25 7.185 4.263 5.925 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.269 3.226 4.018 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.524 4.769 4.807 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.041 1.967 4.983 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.681 2.988 4.459 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.026 2.656 3.342 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.514 2.934 6.132 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.185 3.704 7.031 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.926 2.137 6.229 1.00 0.91 H new ATOM 358 N GLY A 26 9.003 6.770 3.740 1.00 1.49 N ATOM 359 CA GLY A 26 9.879 7.899 4.027 1.00 1.87 C ATOM 360 C GLY A 26 10.884 7.548 5.117 1.00 1.82 C ATOM 361 O GLY A 26 12.018 7.168 4.831 1.00 2.29 O ATOM 0 H GLY A 26 9.284 6.215 2.932 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.408 8.193 3.120 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.283 8.756 4.340 1.00 1.87 H new ATOM 365 N LYS A 27 10.459 7.680 6.370 1.00 1.86 N ATOM 366 CA LYS A 27 11.323 7.380 7.507 1.00 1.91 C ATOM 367 C LYS A 27 11.059 5.970 8.024 1.00 1.62 C ATOM 368 O LYS A 27 11.905 5.085 7.899 1.00 2.38 O ATOM 369 CB LYS A 27 11.086 8.394 8.623 1.00 2.21 C ATOM 370 CG LYS A 27 12.212 9.422 8.696 1.00 2.65 C ATOM 371 CD LYS A 27 12.166 10.389 7.517 1.00 3.30 C ATOM 372 CE LYS A 27 10.967 11.329 7.607 1.00 3.80 C ATOM 373 NZ LYS A 27 11.371 12.744 7.373 1.00 4.51 N ATOM 0 H LYS A 27 9.522 7.993 6.624 1.00 1.86 H new ATOM 0 HA LYS A 27 12.361 7.442 7.179 1.00 1.91 H new ATOM 0 HB2 LYS A 27 10.137 8.904 8.457 1.00 2.21 H new ATOM 0 HB3 LYS A 27 11.005 7.874 9.577 1.00 2.21 H new ATOM 0 HG2 LYS A 27 12.136 9.981 9.629 1.00 2.65 H new ATOM 0 HG3 LYS A 27 13.174 8.909 8.709 1.00 2.65 H new ATOM 0 HD2 LYS A 27 13.086 10.973 7.489 1.00 3.30 H new ATOM 0 HD3 LYS A 27 12.118 9.825 6.585 1.00 3.30 H new ATOM 0 HE2 LYS A 27 10.217 11.036 6.873 1.00 3.80 H new ATOM 0 HE3 LYS A 27 10.504 11.238 8.589 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 10.535 13.359 7.440 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 12.069 13.029 8.089 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 11.791 12.833 6.426 1.00 4.51 H new ATOM 387 N SER A 28 9.881 5.769 8.605 1.00 1.28 N ATOM 388 CA SER A 28 9.506 4.466 9.144 1.00 1.60 C ATOM 389 C SER A 28 7.992 4.296 9.125 1.00 1.60 C ATOM 390 O SER A 28 7.418 3.670 10.016 1.00 2.28 O ATOM 391 CB SER A 28 10.025 4.320 10.570 1.00 1.99 C ATOM 392 OG SER A 28 10.873 5.410 10.903 1.00 2.57 O ATOM 0 H SER A 28 9.169 6.491 8.715 1.00 1.28 H new ATOM 0 HA SER A 28 9.953 3.692 8.520 1.00 1.60 H new ATOM 0 HB2 SER A 28 9.187 4.277 11.266 1.00 1.99 H new ATOM 0 HB3 SER A 28 10.571 3.382 10.671 1.00 1.99 H new ATOM 0 HG SER A 28 11.197 5.303 11.822 1.00 2.57 H new ATOM 398 N GLY A 29 7.350 4.855 8.106 1.00 1.21 N ATOM 399 CA GLY A 29 5.901 4.765 7.972 1.00 1.23 C ATOM 400 C GLY A 29 5.283 6.145 7.801 1.00 1.36 C ATOM 401 O GLY A 29 5.790 6.971 7.042 1.00 2.05 O ATOM 0 H GLY A 29 7.811 5.376 7.360 1.00 1.21 H new ATOM 0 HA2 GLY A 29 5.649 4.141 7.114 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.480 4.281 8.853 1.00 1.23 H new ATOM 405 N ALA A 30 4.187 6.394 8.512 1.00 1.00 N ATOM 406 CA ALA A 30 3.496 7.680 8.443 1.00 1.10 C ATOM 407 C ALA A 30 2.740 7.819 7.127 1.00 1.06 C ATOM 408 O ALA A 30 1.518 7.969 7.116 1.00 1.43 O ATOM 409 CB ALA A 30 4.495 8.827 8.590 1.00 1.27 C ATOM 0 H ALA A 30 3.756 5.720 9.145 1.00 1.00 H new ATOM 0 HA ALA A 30 2.779 7.723 9.262 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.967 9.779 8.537 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.002 8.747 9.552 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.230 8.775 7.787 1.00 1.27 H new ATOM 415 N ASN A 31 3.472 7.774 6.016 1.00 0.73 N ATOM 416 CA ASN A 31 2.869 7.900 4.690 1.00 0.69 C ATOM 417 C ASN A 31 1.650 6.992 4.559 1.00 0.60 C ATOM 418 O ASN A 31 0.569 7.443 4.183 1.00 0.58 O ATOM 419 CB ASN A 31 3.891 7.552 3.612 1.00 0.71 C ATOM 420 CG ASN A 31 4.811 8.738 3.359 1.00 1.24 C ATOM 421 OD1 ASN A 31 5.328 9.347 4.295 1.00 1.91 O ATOM 422 ND2 ASN A 31 5.016 9.068 2.089 1.00 1.42 N ATOM 0 H ASN A 31 4.485 7.651 6.007 1.00 0.73 H new ATOM 0 HA ASN A 31 2.547 8.933 4.560 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.477 6.687 3.922 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.379 7.276 2.690 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.623 9.855 1.858 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.567 8.535 1.345 1.00 1.42 H new ATOM 429 N ILE A 32 1.830 5.712 4.874 1.00 0.58 N ATOM 430 CA ILE A 32 0.741 4.742 4.793 1.00 0.56 C ATOM 431 C ILE A 32 -0.510 5.281 5.476 1.00 0.52 C ATOM 432 O ILE A 32 -1.631 5.010 5.047 1.00 0.51 O ATOM 433 CB ILE A 32 1.159 3.427 5.444 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.473 3.636 6.922 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.359 2.820 4.724 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.810 2.319 7.612 1.00 1.07 C ATOM 0 H ILE A 32 2.719 5.322 5.188 1.00 0.58 H new ATOM 0 HA ILE A 32 0.516 4.566 3.741 1.00 0.56 H new ATOM 0 HB ILE A 32 0.325 2.730 5.362 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.311 4.326 7.023 1.00 0.70 H new ATOM 0 HG13 ILE A 32 0.618 4.098 7.415 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.638 1.883 5.207 1.00 0.69 H new ATOM 0 HG22 ILE A 32 2.100 2.628 3.683 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.198 3.514 4.767 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.028 2.505 8.664 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.962 1.639 7.532 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.681 1.870 7.134 1.00 1.07 H new ATOM 448 N ASN A 33 -0.307 6.053 6.538 1.00 0.56 N ATOM 449 CA ASN A 33 -1.415 6.640 7.281 1.00 0.59 C ATOM 450 C ASN A 33 -2.069 7.749 6.467 1.00 0.54 C ATOM 451 O ASN A 33 -3.289 7.911 6.488 1.00 0.55 O ATOM 452 CB ASN A 33 -0.915 7.196 8.611 1.00 0.71 C ATOM 453 CG ASN A 33 -1.833 6.762 9.745 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.434 5.687 9.695 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.945 7.598 10.770 1.00 1.62 N ATOM 0 H ASN A 33 0.616 6.287 6.904 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.156 5.864 7.475 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.099 6.845 8.801 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.873 8.284 8.565 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.547 7.361 11.558 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.429 8.478 10.769 1.00 1.62 H new ATOM 462 N ARG A 34 -1.248 8.507 5.746 1.00 0.55 N ATOM 463 CA ARG A 34 -1.744 9.602 4.918 1.00 0.56 C ATOM 464 C ARG A 34 -2.761 9.085 3.909 1.00 0.48 C ATOM 465 O ARG A 34 -3.809 9.696 3.702 1.00 0.48 O ATOM 466 CB ARG A 34 -0.583 10.272 4.190 1.00 0.65 C ATOM 467 CG ARG A 34 -1.009 11.591 3.550 1.00 0.89 C ATOM 468 CD ARG A 34 -0.077 12.732 3.946 1.00 1.22 C ATOM 469 NE ARG A 34 -0.216 13.845 3.016 1.00 1.69 N ATOM 470 CZ ARG A 34 -0.451 15.083 3.438 1.00 2.27 C ATOM 471 NH1 ARG A 34 0.314 15.620 4.379 1.00 2.90 N ATOM 472 NH2 ARG A 34 -1.449 15.785 2.919 1.00 2.78 N ATOM 0 H ARG A 34 -0.236 8.383 5.718 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.231 10.334 5.562 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.231 10.453 4.891 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.199 9.601 3.422 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.015 11.485 2.465 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -2.028 11.831 3.853 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -0.308 13.064 4.958 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.955 12.382 3.953 1.00 1.22 H new ATOM 0 HE ARG A 34 -0.131 13.669 2.015 1.00 1.69 H new ATOM 0 HH11 ARG A 34 1.083 15.083 4.779 1.00 2.90 H new ATOM 0 HH12 ARG A 34 0.133 16.570 4.703 1.00 2.90 H new ATOM 0 HH21 ARG A 34 -2.038 15.375 2.194 1.00 2.78 H new ATOM 0 HH22 ARG A 34 -1.628 16.735 3.244 1.00 2.78 H new ATOM 486 N ILE A 35 -2.449 7.952 3.287 1.00 0.45 N ATOM 487 CA ILE A 35 -3.342 7.349 2.306 1.00 0.40 C ATOM 488 C ILE A 35 -4.628 6.894 2.987 1.00 0.34 C ATOM 489 O ILE A 35 -5.726 7.272 2.580 1.00 0.34 O ATOM 490 CB ILE A 35 -2.650 6.170 1.623 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.413 6.641 0.861 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.606 5.439 0.684 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.170 6.636 1.744 1.00 1.29 C ATOM 0 H ILE A 35 -1.585 7.434 3.445 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.593 8.090 1.546 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.337 5.471 2.399 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.249 5.995 -0.001 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.583 7.647 0.478 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.086 4.605 0.212 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.456 5.062 1.252 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.959 6.127 -0.084 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.689 6.977 1.166 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.324 7.302 2.593 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.015 5.625 2.106 1.00 1.29 H new ATOM 505 N LYS A 36 -4.482 6.086 4.034 1.00 0.35 N ATOM 506 CA LYS A 36 -5.625 5.578 4.793 1.00 0.36 C ATOM 507 C LYS A 36 -6.613 6.702 5.099 1.00 0.39 C ATOM 508 O LYS A 36 -7.818 6.474 5.171 1.00 0.51 O ATOM 509 CB LYS A 36 -5.134 4.940 6.095 1.00 0.44 C ATOM 510 CG LYS A 36 -6.290 4.565 7.025 1.00 1.09 C ATOM 511 CD LYS A 36 -5.977 3.312 7.835 1.00 1.41 C ATOM 512 CE LYS A 36 -5.883 3.616 9.328 1.00 2.17 C ATOM 513 NZ LYS A 36 -7.155 4.197 9.843 1.00 2.76 N ATOM 0 H LYS A 36 -3.577 5.766 4.379 1.00 0.35 H new ATOM 0 HA LYS A 36 -6.138 4.827 4.193 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.552 4.048 5.864 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.467 5.632 6.608 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.496 5.394 7.702 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -7.193 4.402 6.436 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -6.752 2.564 7.664 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.037 2.881 7.491 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -5.651 2.701 9.874 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -5.063 4.311 9.509 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -7.261 3.963 10.851 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -7.136 5.230 9.728 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -7.957 3.804 9.310 1.00 2.76 H new ATOM 527 N ASP A 37 -6.097 7.911 5.280 1.00 0.40 N ATOM 528 CA ASP A 37 -6.940 9.064 5.578 1.00 0.45 C ATOM 529 C ASP A 37 -7.389 9.751 4.292 1.00 0.44 C ATOM 530 O ASP A 37 -8.395 10.458 4.273 1.00 0.60 O ATOM 531 CB ASP A 37 -6.178 10.055 6.453 1.00 0.51 C ATOM 532 CG ASP A 37 -7.150 10.988 7.165 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.313 11.091 6.718 1.00 1.56 O ATOM 534 OD2 ASP A 37 -6.748 11.613 8.168 1.00 1.37 O ATOM 0 H ASP A 37 -5.100 8.120 5.226 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.823 8.715 6.113 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.577 9.516 7.186 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.488 10.636 5.841 1.00 0.51 H new ATOM 539 N GLN A 38 -6.630 9.544 3.221 1.00 0.41 N ATOM 540 CA GLN A 38 -6.937 10.146 1.930 1.00 0.46 C ATOM 541 C GLN A 38 -7.910 9.282 1.131 1.00 0.42 C ATOM 542 O GLN A 38 -8.947 9.765 0.678 1.00 0.68 O ATOM 543 CB GLN A 38 -5.654 10.348 1.142 1.00 0.54 C ATOM 544 CG GLN A 38 -5.831 11.416 0.075 1.00 0.65 C ATOM 545 CD GLN A 38 -5.261 12.745 0.554 1.00 1.05 C ATOM 546 OE1 GLN A 38 -4.333 12.780 1.362 1.00 1.65 O ATOM 547 NE2 GLN A 38 -5.817 13.842 0.054 1.00 1.66 N ATOM 0 H GLN A 38 -5.793 8.960 3.223 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.413 11.110 2.108 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.849 10.635 1.819 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.358 9.408 0.675 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.331 11.108 -0.843 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.889 11.531 -0.162 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -6.584 13.766 -0.614 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -5.477 14.761 0.337 1.00 1.66 H new ATOM 556 N TYR A 39 -7.569 8.009 0.948 1.00 0.34 N ATOM 557 CA TYR A 39 -8.418 7.094 0.186 1.00 0.34 C ATOM 558 C TYR A 39 -9.231 6.179 1.099 1.00 0.30 C ATOM 559 O TYR A 39 -9.830 5.211 0.632 1.00 0.32 O ATOM 560 CB TYR A 39 -7.562 6.248 -0.753 1.00 0.39 C ATOM 561 CG TYR A 39 -6.712 7.076 -1.682 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.611 7.755 -1.192 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.029 7.163 -3.026 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.830 8.519 -2.040 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.248 7.928 -3.876 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.154 8.603 -3.378 1.00 0.66 C ATOM 567 OH TYR A 39 -4.377 9.363 -4.223 1.00 0.77 O ATOM 0 H TYR A 39 -6.715 7.588 1.314 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.116 7.699 -0.392 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.917 5.598 -0.161 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.211 5.601 -1.343 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.360 7.688 -0.144 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.887 6.633 -3.413 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -3.970 9.048 -1.656 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.495 7.996 -4.925 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.740 9.316 -5.132 1.00 0.77 H new ATOM 577 N LYS A 40 -9.262 6.481 2.397 1.00 0.28 N ATOM 578 CA LYS A 40 -10.016 5.667 3.349 1.00 0.31 C ATOM 579 C LYS A 40 -9.683 4.189 3.169 1.00 0.29 C ATOM 580 O LYS A 40 -10.576 3.344 3.100 1.00 0.39 O ATOM 581 CB LYS A 40 -11.513 5.889 3.150 1.00 0.38 C ATOM 582 CG LYS A 40 -12.233 6.097 4.480 1.00 0.86 C ATOM 583 CD LYS A 40 -12.700 7.540 4.647 1.00 1.29 C ATOM 584 CE LYS A 40 -14.046 7.617 5.363 1.00 1.88 C ATOM 585 NZ LYS A 40 -13.965 8.473 6.579 1.00 2.56 N ATOM 0 H LYS A 40 -8.777 7.277 2.811 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.739 5.966 4.360 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.671 6.758 2.511 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.943 5.031 2.633 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -13.091 5.427 4.538 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.566 5.833 5.301 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -11.955 8.101 5.211 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -12.781 8.012 3.668 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.799 8.017 4.684 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.369 6.614 5.643 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.895 8.505 7.043 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.263 8.077 7.236 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -13.680 9.436 6.308 1.00 2.56 H new ATOM 599 N VAL A 41 -8.392 3.887 3.082 1.00 0.23 N ATOM 600 CA VAL A 41 -7.933 2.516 2.897 1.00 0.23 C ATOM 601 C VAL A 41 -6.967 2.111 4.004 1.00 0.27 C ATOM 602 O VAL A 41 -6.738 2.864 4.947 1.00 0.33 O ATOM 603 CB VAL A 41 -7.248 2.389 1.542 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.275 2.407 0.418 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.227 3.507 1.352 1.00 0.23 C ATOM 0 H VAL A 41 -7.643 4.577 3.137 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.796 1.852 2.937 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.723 1.434 1.511 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.766 2.315 -0.541 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.966 1.574 0.543 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.829 3.345 0.446 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.748 3.400 0.379 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.730 4.472 1.405 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.473 3.448 2.137 1.00 0.23 H new ATOM 615 N SER A 42 -6.403 0.914 3.879 1.00 0.29 N ATOM 616 CA SER A 42 -5.460 0.401 4.865 1.00 0.34 C ATOM 617 C SER A 42 -4.149 0.014 4.195 1.00 0.30 C ATOM 618 O SER A 42 -3.934 -1.150 3.855 1.00 0.36 O ATOM 619 CB SER A 42 -6.055 -0.809 5.576 1.00 0.43 C ATOM 620 OG SER A 42 -5.630 -0.847 6.930 1.00 0.93 O ATOM 0 H SER A 42 -6.584 0.279 3.101 1.00 0.29 H new ATOM 0 HA SER A 42 -5.262 1.184 5.597 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.143 -0.766 5.531 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.751 -1.724 5.067 1.00 0.43 H new ATOM 0 HG SER A 42 -6.021 -1.628 7.374 1.00 0.93 H new ATOM 626 N VAL A 43 -3.273 0.995 4.008 1.00 0.33 N ATOM 627 CA VAL A 43 -1.979 0.757 3.380 1.00 0.34 C ATOM 628 C VAL A 43 -0.991 0.210 4.400 1.00 0.35 C ATOM 629 O VAL A 43 -0.796 0.797 5.465 1.00 0.55 O ATOM 630 CB VAL A 43 -1.444 2.053 2.779 1.00 0.49 C ATOM 631 CG1 VAL A 43 -0.096 1.818 2.103 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.446 2.644 1.793 1.00 1.25 C ATOM 0 H VAL A 43 -3.436 1.964 4.283 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.105 0.022 2.585 1.00 0.34 H new ATOM 0 HB VAL A 43 -1.299 2.769 3.588 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.268 2.755 1.681 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.620 1.449 2.837 1.00 0.54 H new ATOM 0 HG13 VAL A 43 -0.211 1.082 1.307 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -2.045 3.568 1.376 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.628 1.932 0.988 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.383 2.856 2.309 1.00 1.25 H new ATOM 642 N ARG A 44 -0.371 -0.919 4.073 1.00 0.31 N ATOM 643 CA ARG A 44 0.595 -1.543 4.968 1.00 0.42 C ATOM 644 C ARG A 44 1.904 -1.821 4.243 1.00 0.40 C ATOM 645 O ARG A 44 1.949 -2.614 3.302 1.00 0.41 O ATOM 646 CB ARG A 44 0.027 -2.844 5.527 1.00 0.52 C ATOM 647 CG ARG A 44 -1.432 -2.689 5.943 1.00 0.78 C ATOM 648 CD ARG A 44 -1.625 -2.972 7.431 1.00 1.05 C ATOM 649 NE ARG A 44 -1.466 -4.396 7.702 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.215 -4.851 8.926 1.00 1.74 C ATOM 651 NH1 ARG A 44 -1.755 -4.255 9.980 1.00 2.27 N ATOM 652 NH2 ARG A 44 -0.422 -5.900 9.096 1.00 2.28 N ATOM 0 H ARG A 44 -0.520 -1.419 3.197 1.00 0.31 H new ATOM 0 HA ARG A 44 0.794 -0.854 5.789 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.110 -3.630 4.776 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.619 -3.160 6.386 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.770 -1.677 5.718 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -2.052 -3.370 5.359 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -0.901 -2.401 8.013 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.616 -2.644 7.745 1.00 1.05 H new ATOM 0 HE ARG A 44 -1.549 -5.060 6.933 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -2.364 -3.447 9.852 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -1.562 -4.605 10.918 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -0.003 -6.359 8.287 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -0.231 -6.248 10.036 1.00 2.28 H new ATOM 666 N ILE A 45 2.970 -1.171 4.694 1.00 0.46 N ATOM 667 CA ILE A 45 4.290 -1.348 4.101 1.00 0.47 C ATOM 668 C ILE A 45 5.107 -2.327 4.950 1.00 0.53 C ATOM 669 O ILE A 45 5.590 -1.972 6.024 1.00 0.64 O ATOM 670 CB ILE A 45 4.993 0.012 3.999 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.313 0.883 2.942 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.482 -0.136 3.685 1.00 0.60 C ATOM 673 CD1 ILE A 45 4.582 0.369 1.527 1.00 0.56 C ATOM 0 H ILE A 45 2.945 -0.513 5.473 1.00 0.46 H new ATOM 0 HA ILE A 45 4.193 -1.762 3.097 1.00 0.47 H new ATOM 0 HB ILE A 45 4.910 0.497 4.972 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.238 0.903 3.124 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.671 1.909 3.031 1.00 0.59 H new ATOM 0 HG21 ILE A 45 6.940 0.851 3.622 1.00 0.60 H new ATOM 0 HG22 ILE A 45 6.965 -0.710 4.475 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.604 -0.654 2.734 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.082 1.014 0.804 1.00 0.56 H new ATOM 0 HD12 ILE A 45 5.655 0.373 1.336 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.201 -0.648 1.431 1.00 0.56 H new ATOM 685 N PRO A 46 5.268 -3.579 4.478 1.00 0.48 N ATOM 686 CA PRO A 46 6.026 -4.599 5.207 1.00 0.58 C ATOM 687 C PRO A 46 7.535 -4.415 5.055 1.00 0.61 C ATOM 688 O PRO A 46 8.080 -4.578 3.964 1.00 0.56 O ATOM 689 CB PRO A 46 5.564 -5.907 4.573 1.00 0.57 C ATOM 690 CG PRO A 46 5.100 -5.552 3.200 1.00 0.47 C ATOM 691 CD PRO A 46 4.726 -4.092 3.210 1.00 0.41 C ATOM 0 HA PRO A 46 5.848 -4.556 6.282 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.377 -6.632 4.536 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.760 -6.360 5.153 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.886 -5.741 2.469 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.245 -6.165 2.914 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.153 -3.567 2.355 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.645 -3.959 3.158 1.00 0.41 H new ATOM 699 N PRO A 47 8.234 -4.074 6.153 1.00 0.74 N ATOM 700 CA PRO A 47 9.688 -3.873 6.124 1.00 0.81 C ATOM 701 C PRO A 47 10.444 -5.193 6.024 1.00 0.87 C ATOM 702 O PRO A 47 9.836 -6.260 5.926 1.00 1.53 O ATOM 703 CB PRO A 47 9.980 -3.167 7.445 1.00 0.98 C ATOM 704 CG PRO A 47 8.868 -3.560 8.358 1.00 1.03 C ATOM 705 CD PRO A 47 7.669 -3.861 7.497 1.00 0.85 C ATOM 0 HA PRO A 47 10.010 -3.300 5.254 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.946 -3.472 7.848 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.016 -2.086 7.313 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.146 -4.433 8.949 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.645 -2.757 9.061 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.137 -4.744 7.850 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.957 -3.036 7.504 1.00 0.85 H new ATOM 713 N ASP A 48 11.770 -5.116 6.048 1.00 1.32 N ATOM 714 CA ASP A 48 12.607 -6.307 5.958 1.00 1.46 C ATOM 715 C ASP A 48 12.314 -7.068 4.673 1.00 1.48 C ATOM 716 O ASP A 48 11.345 -7.824 4.596 1.00 2.18 O ATOM 717 CB ASP A 48 12.362 -7.210 7.164 1.00 2.16 C ATOM 718 CG ASP A 48 10.942 -7.023 7.685 1.00 2.56 C ATOM 719 OD1 ASP A 48 9.989 -7.254 6.913 1.00 3.03 O ATOM 720 OD2 ASP A 48 10.786 -6.647 8.866 1.00 3.01 O ATOM 0 H ASP A 48 12.289 -4.241 6.129 1.00 1.32 H new ATOM 0 HA ASP A 48 13.652 -5.997 5.950 1.00 1.46 H new ATOM 0 HB2 ASP A 48 12.520 -8.252 6.885 1.00 2.16 H new ATOM 0 HB3 ASP A 48 13.079 -6.979 7.952 1.00 2.16 H new ATOM 725 N SER A 49 13.155 -6.863 3.666 1.00 1.59 N ATOM 726 CA SER A 49 12.988 -7.529 2.379 1.00 2.11 C ATOM 727 C SER A 49 14.319 -8.082 1.889 1.00 1.90 C ATOM 728 O SER A 49 15.382 -7.655 2.340 1.00 2.33 O ATOM 729 CB SER A 49 12.423 -6.549 1.355 1.00 3.03 C ATOM 730 OG SER A 49 12.929 -5.242 1.585 1.00 3.81 O ATOM 0 H SER A 49 13.961 -6.240 3.716 1.00 1.59 H new ATOM 0 HA SER A 49 12.291 -8.358 2.504 1.00 2.11 H new ATOM 0 HB2 SER A 49 12.685 -6.875 0.348 1.00 3.03 H new ATOM 0 HB3 SER A 49 11.335 -6.540 1.414 1.00 3.03 H new ATOM 0 HG SER A 49 13.278 -4.874 0.746 1.00 3.81 H new ATOM 736 N GLU A 50 14.256 -9.033 0.964 1.00 1.92 N ATOM 737 CA GLU A 50 15.460 -9.644 0.412 1.00 2.27 C ATOM 738 C GLU A 50 15.678 -9.198 -1.027 1.00 2.09 C ATOM 739 O GLU A 50 16.453 -8.278 -1.292 1.00 2.74 O ATOM 740 CB GLU A 50 15.351 -11.165 0.474 1.00 3.06 C ATOM 741 CG GLU A 50 15.601 -11.692 1.883 1.00 3.83 C ATOM 742 CD GLU A 50 14.400 -12.491 2.368 1.00 4.43 C ATOM 743 OE1 GLU A 50 13.260 -12.005 2.213 1.00 4.75 O ATOM 744 OE2 GLU A 50 14.601 -13.602 2.903 1.00 4.97 O ATOM 0 H GLU A 50 13.384 -9.398 0.580 1.00 1.92 H new ATOM 0 HA GLU A 50 16.314 -9.321 1.008 1.00 2.27 H new ATOM 0 HB2 GLU A 50 14.360 -11.473 0.141 1.00 3.06 H new ATOM 0 HB3 GLU A 50 16.070 -11.610 -0.214 1.00 3.06 H new ATOM 0 HG2 GLU A 50 16.492 -12.320 1.891 1.00 3.83 H new ATOM 0 HG3 GLU A 50 15.791 -10.860 2.561 1.00 3.83 H new ATOM 751 N LYS A 51 14.991 -9.855 -1.957 1.00 1.76 N ATOM 752 CA LYS A 51 15.112 -9.527 -3.372 1.00 1.77 C ATOM 753 C LYS A 51 13.773 -9.062 -3.931 1.00 1.55 C ATOM 754 O LYS A 51 13.718 -8.162 -4.768 1.00 2.20 O ATOM 755 CB LYS A 51 15.606 -10.743 -4.148 1.00 2.14 C ATOM 756 CG LYS A 51 17.063 -11.062 -3.822 1.00 2.60 C ATOM 757 CD LYS A 51 17.997 -9.946 -4.280 1.00 3.36 C ATOM 758 CE LYS A 51 19.438 -10.433 -4.393 1.00 4.12 C ATOM 759 NZ LYS A 51 20.027 -10.078 -5.715 1.00 4.81 N ATOM 0 H LYS A 51 14.345 -10.618 -1.755 1.00 1.76 H new ATOM 0 HA LYS A 51 15.833 -8.716 -3.479 1.00 1.77 H new ATOM 0 HB2 LYS A 51 14.982 -11.605 -3.911 1.00 2.14 H new ATOM 0 HB3 LYS A 51 15.503 -10.559 -5.218 1.00 2.14 H new ATOM 0 HG2 LYS A 51 17.172 -11.211 -2.748 1.00 2.60 H new ATOM 0 HG3 LYS A 51 17.348 -11.997 -4.304 1.00 2.60 H new ATOM 0 HD2 LYS A 51 17.664 -9.565 -5.245 1.00 3.36 H new ATOM 0 HD3 LYS A 51 17.947 -9.116 -3.575 1.00 3.36 H new ATOM 0 HE2 LYS A 51 20.037 -9.993 -3.596 1.00 4.12 H new ATOM 0 HE3 LYS A 51 19.471 -11.514 -4.256 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 21.007 -10.422 -5.762 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 19.468 -10.519 -6.474 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 20.017 -9.045 -5.833 1.00 4.81 H new ATOM 773 N SER A 52 12.695 -9.682 -3.462 1.00 1.19 N ATOM 774 CA SER A 52 11.353 -9.332 -3.914 1.00 1.04 C ATOM 775 C SER A 52 10.520 -8.800 -2.755 1.00 0.92 C ATOM 776 O SER A 52 10.533 -9.361 -1.659 1.00 1.19 O ATOM 777 CB SER A 52 10.672 -10.555 -4.524 1.00 1.25 C ATOM 778 OG SER A 52 10.709 -11.647 -3.621 1.00 2.03 O ATOM 0 H SER A 52 12.725 -10.430 -2.769 1.00 1.19 H new ATOM 0 HA SER A 52 11.435 -8.552 -4.671 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.638 -10.316 -4.773 1.00 1.25 H new ATOM 0 HB3 SER A 52 11.169 -10.828 -5.455 1.00 1.25 H new ATOM 0 HG SER A 52 10.267 -12.422 -4.027 1.00 2.03 H new ATOM 784 N ASN A 53 9.797 -7.713 -3.003 1.00 0.68 N ATOM 785 CA ASN A 53 8.957 -7.101 -1.982 1.00 0.61 C ATOM 786 C ASN A 53 7.485 -7.361 -2.272 1.00 0.59 C ATOM 787 O ASN A 53 7.136 -7.922 -3.311 1.00 0.99 O ATOM 788 CB ASN A 53 9.216 -5.599 -1.932 1.00 0.60 C ATOM 789 CG ASN A 53 10.578 -5.316 -1.314 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.591 -5.878 -1.731 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.604 -4.440 -0.316 1.00 1.28 N ATOM 0 H ASN A 53 9.777 -7.237 -3.905 1.00 0.68 H new ATOM 0 HA ASN A 53 9.205 -7.544 -1.017 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.172 -5.182 -2.938 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.436 -5.108 -1.350 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.488 -4.209 0.137 1.00 1.28 H new ATOM 0 HD22 ASN A 53 9.740 -3.998 -0.003 1.00 1.28 H new ATOM 798 N LEU A 54 6.624 -6.949 -1.348 1.00 0.55 N ATOM 799 CA LEU A 54 5.186 -7.135 -1.501 1.00 0.51 C ATOM 800 C LEU A 54 4.427 -6.318 -0.463 1.00 0.44 C ATOM 801 O LEU A 54 4.338 -6.705 0.702 1.00 0.57 O ATOM 802 CB LEU A 54 4.834 -8.614 -1.358 1.00 0.65 C ATOM 803 CG LEU A 54 4.201 -9.168 -2.632 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.095 -10.232 -3.261 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.814 -9.733 -2.343 1.00 1.49 C ATOM 0 H LEU A 54 6.898 -6.483 -0.483 1.00 0.55 H new ATOM 0 HA LEU A 54 4.895 -6.791 -2.494 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.734 -9.181 -1.122 1.00 0.65 H new ATOM 0 HB3 LEU A 54 4.146 -8.746 -0.523 1.00 0.65 H new ATOM 0 HG LEU A 54 4.095 -8.349 -3.343 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.625 -10.613 -4.167 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.062 -9.794 -3.510 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.239 -11.050 -2.555 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.381 -10.123 -3.264 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.894 -10.537 -1.611 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.175 -8.944 -1.947 1.00 1.49 H new ATOM 817 N ILE A 55 3.881 -5.185 -0.894 1.00 0.31 N ATOM 818 CA ILE A 55 3.127 -4.311 -0.002 1.00 0.26 C ATOM 819 C ILE A 55 1.706 -4.827 0.173 1.00 0.27 C ATOM 820 O ILE A 55 1.074 -5.276 -0.785 1.00 0.34 O ATOM 821 CB ILE A 55 3.102 -2.892 -0.558 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.523 -2.369 -0.753 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.311 -1.964 0.359 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.532 -1.029 -1.485 1.00 0.35 C ATOM 0 H ILE A 55 3.947 -4.851 -1.855 1.00 0.31 H new ATOM 0 HA ILE A 55 3.617 -4.303 0.972 1.00 0.26 H new ATOM 0 HB ILE A 55 2.606 -2.915 -1.528 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.007 -2.258 0.217 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.105 -3.097 -1.318 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.307 -0.957 -0.058 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.286 -2.325 0.446 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.774 -1.946 1.346 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.560 -0.687 -1.606 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.071 -1.147 -2.466 1.00 0.35 H new ATOM 0 HD13 ILE A 55 3.971 -0.295 -0.907 1.00 0.35 H new ATOM 836 N ARG A 56 1.210 -4.764 1.404 1.00 0.29 N ATOM 837 CA ARG A 56 -0.136 -5.229 1.713 1.00 0.32 C ATOM 838 C ARG A 56 -1.117 -4.066 1.743 1.00 0.29 C ATOM 839 O ARG A 56 -0.998 -3.158 2.566 1.00 0.42 O ATOM 840 CB ARG A 56 -0.141 -5.948 3.059 1.00 0.42 C ATOM 841 CG ARG A 56 0.583 -7.287 2.976 1.00 0.55 C ATOM 842 CD ARG A 56 1.927 -7.245 3.699 1.00 0.84 C ATOM 843 NE ARG A 56 1.836 -7.930 4.983 1.00 1.44 N ATOM 844 CZ ARG A 56 2.700 -7.693 5.965 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.495 -6.686 6.802 1.00 2.19 N ATOM 846 NH2 ARG A 56 3.768 -8.464 6.109 1.00 2.33 N ATOM 0 H ARG A 56 1.722 -4.394 2.205 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.448 -5.922 0.932 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.337 -5.320 3.811 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.169 -6.108 3.384 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.041 -8.067 3.413 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.740 -7.552 1.930 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.693 -7.715 3.083 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.232 -6.210 3.853 1.00 0.84 H new ATOM 0 HE ARG A 56 1.090 -8.609 5.132 1.00 1.44 H new ATOM 0 HH11 ARG A 56 1.673 -6.092 6.693 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.159 -6.505 7.555 1.00 2.19 H new ATOM 0 HH21 ARG A 56 3.927 -9.240 5.466 1.00 2.33 H new ATOM 0 HH22 ARG A 56 4.431 -8.282 6.863 1.00 2.33 H new ATOM 860 N ILE A 57 -2.090 -4.105 0.842 1.00 0.24 N ATOM 861 CA ILE A 57 -3.106 -3.063 0.756 1.00 0.24 C ATOM 862 C ILE A 57 -4.491 -3.667 0.940 1.00 0.26 C ATOM 863 O ILE A 57 -4.781 -4.735 0.408 1.00 0.40 O ATOM 864 CB ILE A 57 -3.027 -2.366 -0.598 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.590 -1.952 -0.910 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.955 -1.157 -0.641 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.033 -1.006 0.150 1.00 1.32 C ATOM 0 H ILE A 57 -2.198 -4.852 0.156 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.926 -2.333 1.545 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.353 -3.073 -1.361 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -0.961 -2.840 -0.972 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.555 -1.467 -1.886 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.881 -0.676 -1.616 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.982 -1.481 -0.473 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.666 -0.449 0.135 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.009 -0.734 -0.107 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.647 -0.107 0.194 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.044 -1.501 1.121 1.00 1.32 H new ATOM 879 N GLU A 58 -5.345 -2.983 1.694 1.00 0.23 N ATOM 880 CA GLU A 58 -6.697 -3.471 1.938 1.00 0.25 C ATOM 881 C GLU A 58 -7.600 -2.354 2.433 1.00 0.24 C ATOM 882 O GLU A 58 -7.217 -1.558 3.288 1.00 0.26 O ATOM 883 CB GLU A 58 -6.664 -4.602 2.960 1.00 0.32 C ATOM 884 CG GLU A 58 -8.058 -5.175 3.206 1.00 0.37 C ATOM 885 CD GLU A 58 -8.020 -6.211 4.321 1.00 0.82 C ATOM 886 OE1 GLU A 58 -6.977 -6.881 4.477 1.00 1.56 O ATOM 887 OE2 GLU A 58 -9.033 -6.351 5.038 1.00 1.47 O ATOM 0 H GLU A 58 -5.127 -2.094 2.144 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.100 -3.844 0.996 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.001 -5.393 2.608 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.250 -4.234 3.899 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.746 -4.372 3.471 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.437 -5.631 2.291 1.00 0.37 H new ATOM 894 N GLY A 59 -8.808 -2.316 1.890 1.00 0.25 N ATOM 895 CA GLY A 59 -9.796 -1.314 2.259 1.00 0.27 C ATOM 896 C GLY A 59 -11.193 -1.884 2.088 1.00 0.39 C ATOM 897 O GLY A 59 -11.569 -2.839 2.767 1.00 0.59 O ATOM 0 H GLY A 59 -9.130 -2.977 1.183 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.644 -1.003 3.293 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.677 -0.426 1.638 1.00 0.27 H new ATOM 901 N ASP A 60 -11.955 -1.316 1.163 1.00 0.53 N ATOM 902 CA ASP A 60 -13.303 -1.800 0.903 1.00 0.70 C ATOM 903 C ASP A 60 -13.862 -1.203 -0.380 1.00 0.59 C ATOM 904 O ASP A 60 -14.093 -1.919 -1.354 1.00 1.04 O ATOM 905 CB ASP A 60 -14.218 -1.478 2.081 1.00 1.22 C ATOM 906 CG ASP A 60 -14.475 -2.731 2.907 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.400 -3.495 2.559 1.00 2.66 O ATOM 908 OD2 ASP A 60 -13.751 -2.947 3.901 1.00 2.31 O ATOM 0 H ASP A 60 -11.666 -0.527 0.585 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.256 -2.882 0.779 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.762 -0.710 2.705 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.163 -1.074 1.717 1.00 1.22 H new ATOM 913 N PRO A 61 -14.086 0.120 -0.410 1.00 0.72 N ATOM 914 CA PRO A 61 -14.618 0.787 -1.601 1.00 1.14 C ATOM 915 C PRO A 61 -13.574 0.875 -2.705 1.00 0.88 C ATOM 916 O PRO A 61 -12.494 0.296 -2.598 1.00 1.22 O ATOM 917 CB PRO A 61 -15.012 2.170 -1.093 1.00 1.82 C ATOM 918 CG PRO A 61 -14.151 2.410 0.102 1.00 1.82 C ATOM 919 CD PRO A 61 -13.835 1.062 0.695 1.00 1.17 C ATOM 0 HA PRO A 61 -15.454 0.248 -2.046 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.847 2.931 -1.856 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.069 2.206 -0.830 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.236 2.931 -0.180 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.666 3.040 0.828 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.802 1.009 1.038 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.468 0.846 1.556 1.00 1.17 H new ATOM 927 N GLN A 62 -13.897 1.611 -3.762 1.00 0.64 N ATOM 928 CA GLN A 62 -12.979 1.779 -4.881 1.00 0.47 C ATOM 929 C GLN A 62 -11.651 2.364 -4.406 1.00 0.41 C ATOM 930 O GLN A 62 -10.641 2.265 -5.098 1.00 0.47 O ATOM 931 CB GLN A 62 -13.602 2.695 -5.931 1.00 0.69 C ATOM 932 CG GLN A 62 -14.911 2.125 -6.468 1.00 0.85 C ATOM 933 CD GLN A 62 -15.254 2.759 -7.809 1.00 1.34 C ATOM 934 OE1 GLN A 62 -14.911 3.913 -8.068 1.00 2.14 O ATOM 935 NE2 GLN A 62 -15.936 2.005 -8.664 1.00 1.73 N ATOM 0 H GLN A 62 -14.786 2.100 -3.867 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.789 0.800 -5.322 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.784 3.678 -5.496 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.901 2.836 -6.754 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.826 1.044 -6.581 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.715 2.309 -5.755 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.199 1.054 -8.407 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.196 2.377 -9.577 1.00 1.73 H new ATOM 944 N GLY A 63 -11.660 2.982 -3.226 1.00 0.37 N ATOM 945 CA GLY A 63 -10.460 3.590 -2.664 1.00 0.34 C ATOM 946 C GLY A 63 -9.302 2.601 -2.574 1.00 0.27 C ATOM 947 O GLY A 63 -8.170 2.938 -2.920 1.00 0.29 O ATOM 0 H GLY A 63 -12.490 3.074 -2.640 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.163 4.440 -3.279 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.683 3.978 -1.670 1.00 0.34 H new ATOM 951 N VAL A 64 -9.573 1.389 -2.093 1.00 0.24 N ATOM 952 CA VAL A 64 -8.522 0.383 -1.952 1.00 0.21 C ATOM 953 C VAL A 64 -7.904 0.035 -3.305 1.00 0.24 C ATOM 954 O VAL A 64 -6.685 -0.083 -3.423 1.00 0.28 O ATOM 955 CB VAL A 64 -9.050 -0.879 -1.251 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.852 -1.774 -2.195 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.888 -1.658 -0.646 1.00 0.26 C ATOM 0 H VAL A 64 -10.500 1.082 -1.798 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.739 0.812 -1.326 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.728 -0.557 -0.461 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.203 -2.652 -1.653 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.707 -1.220 -2.582 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.218 -2.089 -3.024 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.268 -2.551 -0.150 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.194 -1.948 -1.435 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.370 -1.032 0.081 1.00 0.26 H new ATOM 967 N GLN A 65 -8.744 -0.131 -4.322 1.00 0.25 N ATOM 968 CA GLN A 65 -8.259 -0.467 -5.656 1.00 0.30 C ATOM 969 C GLN A 65 -7.630 0.752 -6.314 1.00 0.30 C ATOM 970 O GLN A 65 -6.687 0.629 -7.096 1.00 0.34 O ATOM 971 CB GLN A 65 -9.404 -0.995 -6.515 1.00 0.37 C ATOM 972 CG GLN A 65 -10.440 0.089 -6.800 1.00 0.42 C ATOM 973 CD GLN A 65 -11.373 -0.353 -7.920 1.00 0.78 C ATOM 974 OE1 GLN A 65 -11.429 -1.532 -8.268 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.109 0.596 -8.486 1.00 0.82 N ATOM 0 H GLN A 65 -9.757 -0.039 -4.249 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.500 -1.244 -5.564 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.008 -1.376 -7.456 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.883 -1.833 -6.008 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.016 0.297 -5.898 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -9.939 1.016 -7.079 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.031 1.561 -8.166 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.753 0.360 -9.241 1.00 0.82 H new ATOM 984 N GLN A 66 -8.150 1.928 -5.987 1.00 0.29 N ATOM 985 CA GLN A 66 -7.631 3.172 -6.539 1.00 0.31 C ATOM 986 C GLN A 66 -6.249 3.451 -5.971 1.00 0.29 C ATOM 987 O GLN A 66 -5.260 3.470 -6.702 1.00 0.36 O ATOM 988 CB GLN A 66 -8.574 4.327 -6.212 1.00 0.35 C ATOM 989 CG GLN A 66 -9.233 4.887 -7.470 1.00 0.79 C ATOM 990 CD GLN A 66 -10.629 4.305 -7.642 1.00 1.10 C ATOM 991 OE1 GLN A 66 -10.787 3.149 -8.035 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.646 5.107 -7.347 1.00 1.31 N ATOM 0 H GLN A 66 -8.931 2.046 -5.342 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.558 3.076 -7.622 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.343 3.985 -5.519 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.020 5.119 -5.708 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.291 5.974 -7.405 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -8.624 4.652 -8.343 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.468 6.058 -7.025 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -12.604 4.772 -7.443 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.186 3.653 -4.658 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.921 3.917 -3.985 1.00 0.27 C ATOM 1003 C ALA A 67 -3.908 2.837 -4.337 1.00 0.26 C ATOM 1004 O ALA A 67 -2.713 3.108 -4.463 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.130 3.963 -2.474 1.00 0.29 C ATOM 0 H ALA A 67 -6.997 3.639 -4.040 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.540 4.882 -4.318 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.178 4.161 -1.981 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.837 4.755 -2.228 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.524 3.006 -2.132 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.396 1.612 -4.506 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.538 0.487 -4.855 1.00 0.28 C ATOM 1013 C LYS A 68 -2.832 0.765 -6.175 1.00 0.31 C ATOM 1014 O LYS A 68 -1.639 1.065 -6.205 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.372 -0.787 -4.964 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.539 -1.976 -5.434 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.297 -2.831 -6.444 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.426 -3.959 -6.988 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.106 -4.681 -8.100 1.00 0.88 N ATOM 0 H LYS A 68 -5.383 1.374 -4.407 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.789 0.353 -4.075 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.815 -1.015 -3.994 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.195 -0.623 -5.659 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.613 -1.617 -5.883 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.261 -2.587 -4.576 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.185 -3.251 -5.972 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.639 -2.205 -7.268 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.479 -3.552 -7.342 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.192 -4.659 -6.186 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.489 -5.442 -8.449 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.998 -5.090 -7.755 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.307 -4.016 -8.874 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.583 0.665 -7.267 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.044 0.907 -8.603 1.00 0.43 C ATOM 1035 C ARG A 69 -2.243 2.205 -8.637 1.00 0.42 C ATOM 1036 O ARG A 69 -1.279 2.330 -9.393 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.183 0.977 -9.617 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.886 0.138 -10.858 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.640 0.654 -12.079 1.00 1.36 C ATOM 1040 NE ARG A 69 -6.015 0.167 -12.069 1.00 1.81 N ATOM 1041 CZ ARG A 69 -6.970 0.759 -12.780 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.099 2.078 -12.751 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -7.798 0.033 -13.518 1.00 2.98 N ATOM 0 H ARG A 69 -4.572 0.417 -7.254 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.379 0.083 -8.860 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.105 0.627 -9.153 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.347 2.014 -9.909 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -2.815 0.151 -11.059 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -4.162 -0.900 -10.671 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -4.633 1.744 -12.085 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -4.138 0.327 -12.990 1.00 1.36 H new ATOM 0 HE ARG A 69 -6.250 -0.648 -11.502 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -6.465 2.640 -12.183 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -7.832 2.531 -13.297 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -7.703 -0.982 -13.541 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -8.530 0.490 -14.062 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.645 3.166 -7.811 1.00 0.40 N ATOM 1058 CA GLU A 70 -1.963 4.454 -7.745 1.00 0.43 C ATOM 1059 C GLU A 70 -0.541 4.277 -7.229 1.00 0.44 C ATOM 1060 O GLU A 70 0.423 4.677 -7.881 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.728 5.407 -6.830 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.881 6.790 -7.457 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.888 6.745 -8.599 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.858 5.772 -9.382 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -4.707 7.682 -8.708 1.00 1.38 O ATOM 0 H GLU A 70 -3.440 3.077 -7.178 1.00 0.40 H new ATOM 0 HA GLU A 70 -1.924 4.876 -8.749 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.713 4.993 -6.616 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.205 5.495 -5.877 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -3.209 7.505 -6.702 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.916 7.138 -7.827 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.420 3.672 -6.053 1.00 0.40 N ATOM 1073 CA LEU A 71 0.882 3.436 -5.441 1.00 0.47 C ATOM 1074 C LEU A 71 1.808 2.717 -6.413 1.00 0.52 C ATOM 1075 O LEU A 71 2.988 3.047 -6.525 1.00 0.60 O ATOM 1076 CB LEU A 71 0.718 2.601 -4.177 1.00 0.51 C ATOM 1077 CG LEU A 71 0.005 3.378 -3.074 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.989 2.483 -2.341 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.012 3.979 -2.098 1.00 1.15 C ATOM 0 H LEU A 71 -1.210 3.335 -5.503 1.00 0.40 H new ATOM 0 HA LEU A 71 1.323 4.399 -5.185 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.154 1.698 -4.409 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.698 2.282 -3.822 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.548 4.195 -3.537 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.487 3.056 -1.559 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.732 2.111 -3.046 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.460 1.642 -1.894 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.482 4.528 -1.320 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.598 3.181 -1.643 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.676 4.658 -2.633 1.00 1.15 H new ATOM 1091 N LEU A 72 1.265 1.728 -7.110 1.00 0.52 N ATOM 1092 CA LEU A 72 2.037 0.950 -8.071 1.00 0.63 C ATOM 1093 C LEU A 72 2.606 1.844 -9.165 1.00 0.67 C ATOM 1094 O LEU A 72 3.779 1.737 -9.520 1.00 0.83 O ATOM 1095 CB LEU A 72 1.154 -0.127 -8.696 1.00 0.66 C ATOM 1096 CG LEU A 72 0.999 -1.334 -7.776 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.418 -1.895 -7.861 1.00 1.99 C ATOM 1098 CD2 LEU A 72 2.026 -2.408 -8.119 1.00 1.04 C ATOM 0 H LEU A 72 0.289 1.444 -7.028 1.00 0.52 H new ATOM 0 HA LEU A 72 2.867 0.481 -7.542 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.172 0.291 -8.917 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.585 -0.446 -9.645 1.00 0.66 H new ATOM 0 HG LEU A 72 1.177 -1.009 -6.751 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.509 -2.755 -7.198 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.132 -1.128 -7.560 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -0.627 -2.203 -8.886 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.898 -3.260 -7.451 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.884 -2.731 -9.150 1.00 1.04 H new ATOM 0 HD23 LEU A 72 3.031 -2.002 -8.001 1.00 1.04 H new ATOM 1110 N GLU A 73 1.765 2.721 -9.704 1.00 0.64 N ATOM 1111 CA GLU A 73 2.181 3.627 -10.769 1.00 0.74 C ATOM 1112 C GLU A 73 2.920 4.834 -10.206 1.00 0.71 C ATOM 1113 O GLU A 73 4.146 4.917 -10.287 1.00 0.88 O ATOM 1114 CB GLU A 73 0.962 4.093 -11.559 1.00 0.82 C ATOM 1115 CG GLU A 73 0.598 3.110 -12.669 1.00 1.00 C ATOM 1116 CD GLU A 73 0.744 3.774 -14.032 1.00 1.41 C ATOM 1117 OE1 GLU A 73 0.130 4.841 -14.244 1.00 2.05 O ATOM 1118 OE2 GLU A 73 1.472 3.226 -14.886 1.00 2.01 O ATOM 0 H GLU A 73 0.791 2.824 -9.421 1.00 0.64 H new ATOM 0 HA GLU A 73 2.860 3.086 -11.428 1.00 0.74 H new ATOM 0 HB2 GLU A 73 0.114 4.210 -10.884 1.00 0.82 H new ATOM 0 HB3 GLU A 73 1.162 5.073 -11.992 1.00 0.82 H new ATOM 0 HG2 GLU A 73 1.243 2.233 -12.613 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.426 2.762 -12.534 1.00 1.00 H new ATOM 1125 N LEU A 74 2.167 5.776 -9.649 1.00 0.64 N ATOM 1126 CA LEU A 74 2.745 6.992 -9.086 1.00 0.71 C ATOM 1127 C LEU A 74 3.608 6.683 -7.869 1.00 0.82 C ATOM 1128 O LEU A 74 4.710 7.214 -7.731 1.00 1.13 O ATOM 1129 CB LEU A 74 1.632 7.962 -8.699 1.00 0.85 C ATOM 1130 CG LEU A 74 0.707 8.250 -9.877 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.573 8.932 -9.405 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.417 9.100 -10.925 1.00 1.32 C ATOM 0 H LEU A 74 1.151 5.721 -9.575 1.00 0.64 H new ATOM 0 HA LEU A 74 3.381 7.448 -9.845 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.054 7.544 -7.875 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.069 8.895 -8.341 1.00 0.85 H new ATOM 0 HG LEU A 74 0.436 7.300 -10.337 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.218 9.128 -10.262 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -1.093 8.283 -8.701 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.324 9.873 -8.915 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.739 9.294 -11.756 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.724 10.046 -10.479 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.296 8.569 -11.290 1.00 1.32 H new ATOM 1144 N ALA A 75 3.105 5.829 -6.983 1.00 0.78 N ATOM 1145 CA ALA A 75 3.837 5.463 -5.776 1.00 0.99 C ATOM 1146 C ALA A 75 4.218 6.710 -4.989 1.00 1.70 C ATOM 1147 O ALA A 75 5.163 7.415 -5.344 1.00 2.16 O ATOM 1148 CB ALA A 75 5.093 4.679 -6.141 1.00 1.14 C ATOM 0 H ALA A 75 2.195 5.378 -7.078 1.00 0.78 H new ATOM 0 HA ALA A 75 3.194 4.838 -5.157 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.632 4.411 -5.232 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.813 3.772 -6.677 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.733 5.292 -6.775 1.00 1.14 H new ATOM 1154 N SER A 76 3.480 6.978 -3.917 1.00 2.17 N ATOM 1155 CA SER A 76 3.740 8.143 -3.078 1.00 3.01 C ATOM 1156 C SER A 76 5.210 8.202 -2.683 1.00 3.57 C ATOM 1157 O SER A 76 5.597 7.507 -1.720 1.00 4.23 O ATOM 1158 CB SER A 76 2.870 8.089 -1.827 1.00 3.63 C ATOM 1159 OG SER A 76 1.782 7.196 -2.021 1.00 4.36 O ATOM 1160 OXT SER A 76 5.974 8.944 -3.337 1.00 3.89 O ATOM 0 H SER A 76 2.696 6.404 -3.608 1.00 2.17 H new ATOM 0 HA SER A 76 3.496 9.040 -3.647 1.00 3.01 H new ATOM 0 HB2 SER A 76 3.467 7.766 -0.974 1.00 3.63 H new ATOM 0 HB3 SER A 76 2.494 9.085 -1.594 1.00 3.63 H new ATOM 0 HG SER A 76 1.232 7.169 -1.210 1.00 4.36 H new TER 1166 SER A 76