USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 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 42 SER OG : rot -128:sc= 0.82 USER MOD Set 1.2: A 44 THR OG1 : rot 57:sc= 1.33 USER MOD Set 2.1: A 2 HIS : no HE2:sc= 0.568 K(o=1.6,f=-9.9!) USER MOD Set 2.2: A 3 SER OG : rot -34:sc= 1.06 USER MOD Set 3.1: A 1 HIS : no HD1:sc= -0.144 K(o=-0.25,f=-14!) USER MOD Set 3.2: A 6 HIS : no HD1:sc= -0.109 K(o=-0.25,f=-5.1!) USER MOD Single : A 1 HIS N :NH3+ -177:sc= 0.521 (180deg=0.304) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= 0.877 (180deg=-0.0929) USER MOD Single : A 16 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.4!) USER MOD Single : A 21 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.28) USER MOD Single : A 24 SER OG : rot 85:sc= 0.958 USER MOD Single : A 27 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-0.96) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -82:sc= 0.795 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= -2.63! (180deg=-6.5!) USER MOD Single : A 45 GLN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 173:sc= -0.179! (180deg=-0.34!) USER MOD Single : A 49 HIS : no HD1:sc= -0.255 X(o=-0.26,f=0.057) USER MOD Single : A 50 SER OG : rot 76:sc= 1.11 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= -1.27! (180deg=-1.37!) USER MOD Single : A 70 GLN : amide:sc= -3.39! K(o=-3.4!,f=-0.51) USER MOD Single : A 71 ASN : amide:sc= 0.704 K(o=0.7,f=-0.0089) USER MOD Single : A 74 GLN : amide:sc= -3.67! K(o=-3.7!,f=-2.1) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 80 ASN : amide:sc= -1.45! C(o=-1.4!,f=-17!) USER MOD Single : A 81 ASN : amide:sc= -3.14! K(o=-3.1!,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 3.594 7.071 -19.942 1.00 11.23 N ATOM 2 CA HIS A 1 4.784 6.252 -19.586 1.00 10.84 C ATOM 3 C HIS A 1 6.009 7.020 -20.068 1.00 10.77 C ATOM 4 O HIS A 1 5.953 7.570 -21.135 1.00 11.48 O ATOM 5 CB HIS A 1 4.742 4.875 -20.285 1.00 11.24 C ATOM 6 CG HIS A 1 3.380 4.533 -20.899 1.00 12.08 C ATOM 7 ND1 HIS A 1 2.302 4.439 -20.166 1.00 12.54 N ATOM 8 CD2 HIS A 1 2.984 4.336 -22.196 1.00 12.83 C ATOM 9 CE1 HIS A 1 1.278 4.203 -20.949 1.00 13.53 C ATOM 10 NE2 HIS A 1 1.701 4.138 -22.185 1.00 13.71 N ATOM 0 H1 HIS A 1 2.734 6.607 -19.585 1.00 11.23 H new ATOM 0 H2 HIS A 1 3.681 8.015 -19.514 1.00 11.23 H new ATOM 0 H3 HIS A 1 3.533 7.164 -20.976 1.00 11.23 H new ATOM 0 HA HIS A 1 4.809 6.078 -18.510 1.00 10.84 H new ATOM 0 HB2 HIS A 1 5.499 4.853 -21.069 1.00 11.24 H new ATOM 0 HB3 HIS A 1 5.008 4.103 -19.563 1.00 11.24 H new ATOM 0 HD2 HIS A 1 3.622 4.344 -23.067 1.00 12.83 H new ATOM 0 HE1 HIS A 1 0.254 4.082 -20.627 1.00 13.53 H new ATOM 0 HE2 HIS A 1 1.119 3.961 -23.004 1.00 13.71 H new ATOM 20 N HIS A 2 7.065 7.016 -19.273 1.00 10.31 N ATOM 21 CA HIS A 2 8.357 7.739 -19.612 1.00 10.70 C ATOM 22 C HIS A 2 8.326 8.457 -20.973 1.00 11.09 C ATOM 23 O HIS A 2 8.436 9.663 -21.043 1.00 11.75 O ATOM 24 CB HIS A 2 9.503 6.714 -19.598 1.00 10.67 C ATOM 25 CG HIS A 2 10.891 7.334 -19.788 1.00 10.93 C ATOM 26 ND1 HIS A 2 11.276 7.831 -20.934 1.00 11.34 N ATOM 27 CD2 HIS A 2 11.939 7.510 -18.921 1.00 11.33 C ATOM 28 CE1 HIS A 2 12.498 8.295 -20.805 1.00 11.91 C ATOM 29 NE2 HIS A 2 12.896 8.096 -19.576 1.00 11.88 N ATOM 0 H HIS A 2 7.089 6.529 -18.377 1.00 10.31 H new ATOM 0 HA HIS A 2 8.501 8.517 -18.862 1.00 10.70 H new ATOM 0 HB2 HIS A 2 9.483 6.174 -18.651 1.00 10.67 H new ATOM 0 HB3 HIS A 2 9.332 5.981 -20.387 1.00 10.67 H new ATOM 0 HD1 HIS A 2 10.719 7.855 -21.788 1.00 11.34 H new ATOM 0 HD2 HIS A 2 11.964 7.215 -17.882 1.00 11.33 H new ATOM 0 HE1 HIS A 2 13.078 8.764 -21.586 1.00 11.91 H new ATOM 37 N SER A 3 8.233 7.685 -22.018 1.00 11.07 N ATOM 38 CA SER A 3 8.174 8.264 -23.390 1.00 11.87 C ATOM 39 C SER A 3 6.887 7.771 -24.046 1.00 11.79 C ATOM 40 O SER A 3 6.913 6.944 -24.941 1.00 12.48 O ATOM 41 CB SER A 3 9.388 7.797 -24.191 1.00 12.68 C ATOM 42 OG SER A 3 10.490 8.258 -23.422 1.00 12.85 O ATOM 0 H SER A 3 8.195 6.666 -21.981 1.00 11.07 H new ATOM 0 HA SER A 3 8.184 9.353 -23.354 1.00 11.87 H new ATOM 0 HB2 SER A 3 9.402 6.713 -24.303 1.00 12.68 H new ATOM 0 HB3 SER A 3 9.394 8.221 -25.195 1.00 12.68 H new ATOM 0 HG SER A 3 10.259 9.110 -22.997 1.00 12.85 H new ATOM 48 N GLY A 4 5.786 8.281 -23.571 1.00 11.27 N ATOM 49 CA GLY A 4 4.473 7.858 -24.127 1.00 11.38 C ATOM 50 C GLY A 4 3.374 8.147 -23.109 1.00 10.33 C ATOM 51 O GLY A 4 2.941 7.275 -22.370 1.00 10.25 O ATOM 0 H GLY A 4 5.739 8.972 -22.822 1.00 11.27 H new ATOM 0 HA2 GLY A 4 4.271 8.390 -25.057 1.00 11.38 H new ATOM 0 HA3 GLY A 4 4.492 6.795 -24.366 1.00 11.38 H new ATOM 55 N GLU A 5 2.967 9.382 -23.060 1.00 9.85 N ATOM 56 CA GLU A 5 1.886 9.780 -22.117 1.00 9.16 C ATOM 57 C GLU A 5 0.542 9.392 -22.725 1.00 8.92 C ATOM 58 O GLU A 5 -0.280 10.221 -23.091 1.00 9.61 O ATOM 59 CB GLU A 5 1.988 11.295 -21.872 1.00 9.50 C ATOM 60 CG GLU A 5 3.130 11.601 -20.875 1.00 9.67 C ATOM 61 CD GLU A 5 4.228 10.526 -20.935 1.00 9.32 C ATOM 62 OE1 GLU A 5 5.014 10.594 -21.863 1.00 9.97 O ATOM 63 OE2 GLU A 5 4.173 9.657 -20.077 1.00 8.91 O ATOM 0 H GLU A 5 3.338 10.138 -23.635 1.00 9.85 H new ATOM 0 HA GLU A 5 1.983 9.271 -21.158 1.00 9.16 H new ATOM 0 HB2 GLU A 5 2.171 11.811 -22.814 1.00 9.50 H new ATOM 0 HB3 GLU A 5 1.043 11.671 -21.480 1.00 9.50 H new ATOM 0 HG2 GLU A 5 3.561 12.577 -21.101 1.00 9.67 H new ATOM 0 HG3 GLU A 5 2.727 11.656 -19.864 1.00 9.67 H new ATOM 70 N HIS A 6 0.363 8.104 -22.820 1.00 8.32 N ATOM 71 CA HIS A 6 -0.892 7.551 -23.389 1.00 8.45 C ATOM 72 C HIS A 6 -1.968 7.591 -22.300 1.00 7.70 C ATOM 73 O HIS A 6 -2.533 6.578 -21.944 1.00 7.81 O ATOM 74 CB HIS A 6 -0.627 6.100 -23.820 1.00 8.98 C ATOM 75 CG HIS A 6 0.623 5.932 -24.692 1.00 9.57 C ATOM 76 ND1 HIS A 6 1.200 4.769 -24.832 1.00 10.08 N ATOM 77 CD2 HIS A 6 1.351 6.819 -25.443 1.00 10.23 C ATOM 78 CE1 HIS A 6 2.235 4.903 -25.629 1.00 10.87 C ATOM 79 NE2 HIS A 6 2.322 6.156 -25.996 1.00 10.96 N ATOM 0 H HIS A 6 1.043 7.404 -22.523 1.00 8.32 H new ATOM 0 HA HIS A 6 -1.226 8.129 -24.251 1.00 8.45 H new ATOM 0 HB2 HIS A 6 -0.524 5.480 -22.930 1.00 8.98 H new ATOM 0 HB3 HIS A 6 -1.493 5.730 -24.368 1.00 8.98 H new ATOM 0 HD2 HIS A 6 1.153 7.875 -25.554 1.00 10.23 H new ATOM 0 HE1 HIS A 6 2.904 4.111 -25.931 1.00 10.87 H new ATOM 0 HE2 HIS A 6 3.034 6.547 -26.613 1.00 10.96 H new ATOM 87 N PHE A 7 -2.203 8.777 -21.792 1.00 7.56 N ATOM 88 CA PHE A 7 -3.230 8.966 -20.717 1.00 7.35 C ATOM 89 C PHE A 7 -2.817 8.161 -19.476 1.00 6.17 C ATOM 90 O PHE A 7 -3.618 7.456 -18.892 1.00 6.65 O ATOM 91 CB PHE A 7 -4.602 8.479 -21.226 1.00 8.69 C ATOM 92 CG PHE A 7 -4.824 8.904 -22.688 1.00 9.42 C ATOM 93 CD1 PHE A 7 -4.309 10.094 -23.179 1.00 9.76 C ATOM 94 CD2 PHE A 7 -5.529 8.079 -23.545 1.00 10.24 C ATOM 95 CE1 PHE A 7 -4.493 10.444 -24.501 1.00 10.90 C ATOM 96 CE2 PHE A 7 -5.712 8.431 -24.867 1.00 11.28 C ATOM 97 CZ PHE A 7 -5.194 9.613 -25.345 1.00 11.61 C ATOM 0 H PHE A 7 -1.723 9.630 -22.078 1.00 7.56 H new ATOM 0 HA PHE A 7 -3.301 10.022 -20.455 1.00 7.35 H new ATOM 0 HB2 PHE A 7 -4.661 7.394 -21.145 1.00 8.69 H new ATOM 0 HB3 PHE A 7 -5.394 8.889 -20.599 1.00 8.69 H new ATOM 0 HD1 PHE A 7 -3.760 10.752 -22.522 1.00 9.76 H new ATOM 0 HD2 PHE A 7 -5.940 7.151 -23.177 1.00 10.24 H new ATOM 0 HE1 PHE A 7 -4.086 11.372 -24.874 1.00 10.90 H new ATOM 0 HE2 PHE A 7 -6.263 7.778 -25.528 1.00 11.28 H new ATOM 0 HZ PHE A 7 -5.337 9.888 -26.380 1.00 11.61 H new ATOM 107 N GLU A 8 -1.575 8.321 -19.091 1.00 5.05 N ATOM 108 CA GLU A 8 -1.052 7.577 -17.905 1.00 4.14 C ATOM 109 C GLU A 8 -0.886 8.532 -16.704 1.00 3.39 C ATOM 110 O GLU A 8 -1.862 9.024 -16.170 1.00 4.42 O ATOM 111 CB GLU A 8 0.298 6.963 -18.319 1.00 4.09 C ATOM 112 CG GLU A 8 0.896 6.112 -17.179 1.00 4.47 C ATOM 113 CD GLU A 8 2.412 6.112 -17.321 1.00 4.65 C ATOM 114 OE1 GLU A 8 2.966 7.189 -17.206 1.00 5.15 O ATOM 115 OE2 GLU A 8 2.933 5.053 -17.593 1.00 5.22 O ATOM 0 H GLU A 8 -0.901 8.935 -19.548 1.00 5.05 H new ATOM 0 HA GLU A 8 -1.744 6.794 -17.595 1.00 4.14 H new ATOM 0 HB2 GLU A 8 0.162 6.344 -19.206 1.00 4.09 H new ATOM 0 HB3 GLU A 8 0.995 7.757 -18.588 1.00 4.09 H new ATOM 0 HG2 GLU A 8 0.606 6.519 -16.210 1.00 4.47 H new ATOM 0 HG3 GLU A 8 0.511 5.093 -17.225 1.00 4.47 H new ATOM 122 N GLY A 9 0.342 8.771 -16.300 1.00 2.58 N ATOM 123 CA GLY A 9 0.576 9.683 -15.146 1.00 2.98 C ATOM 124 C GLY A 9 0.335 8.913 -13.853 1.00 3.04 C ATOM 125 O GLY A 9 1.258 8.619 -13.111 1.00 3.44 O ATOM 0 H GLY A 9 1.183 8.374 -16.720 1.00 2.58 H new ATOM 0 HA2 GLY A 9 1.595 10.069 -15.171 1.00 2.98 H new ATOM 0 HA3 GLY A 9 -0.092 10.543 -15.203 1.00 2.98 H new ATOM 129 N GLU A 10 -0.906 8.562 -13.639 1.00 3.05 N ATOM 130 CA GLU A 10 -1.251 7.807 -12.408 1.00 3.42 C ATOM 131 C GLU A 10 -1.519 6.340 -12.739 1.00 2.92 C ATOM 132 O GLU A 10 -1.694 5.982 -13.888 1.00 3.26 O ATOM 133 CB GLU A 10 -2.498 8.425 -11.758 1.00 4.44 C ATOM 134 CG GLU A 10 -3.664 8.498 -12.759 1.00 4.29 C ATOM 135 CD GLU A 10 -4.981 8.604 -11.987 1.00 4.93 C ATOM 136 OE1 GLU A 10 -5.032 9.417 -11.084 1.00 5.53 O ATOM 137 OE2 GLU A 10 -5.856 7.809 -12.287 1.00 5.46 O ATOM 0 H GLU A 10 -1.688 8.766 -14.261 1.00 3.05 H new ATOM 0 HA GLU A 10 -0.411 7.862 -11.715 1.00 3.42 H new ATOM 0 HB2 GLU A 10 -2.793 7.831 -10.893 1.00 4.44 H new ATOM 0 HB3 GLU A 10 -2.264 9.425 -11.393 1.00 4.44 H new ATOM 0 HG2 GLU A 10 -3.543 9.360 -13.415 1.00 4.29 H new ATOM 0 HG3 GLU A 10 -3.671 7.612 -13.394 1.00 4.29 H new ATOM 144 N LYS A 11 -1.475 5.522 -11.720 1.00 2.35 N ATOM 145 CA LYS A 11 -1.730 4.059 -11.895 1.00 2.00 C ATOM 146 C LYS A 11 -2.372 3.513 -10.615 1.00 1.71 C ATOM 147 O LYS A 11 -2.375 4.185 -9.592 1.00 1.75 O ATOM 148 CB LYS A 11 -0.403 3.317 -12.155 1.00 1.83 C ATOM 149 CG LYS A 11 0.137 3.669 -13.557 1.00 2.28 C ATOM 150 CD LYS A 11 1.484 2.960 -13.810 1.00 2.82 C ATOM 151 CE LYS A 11 2.612 3.686 -13.061 1.00 3.46 C ATOM 152 NZ LYS A 11 3.952 3.127 -13.425 1.00 4.16 N ATOM 0 H LYS A 11 -1.271 5.808 -10.762 1.00 2.35 H new ATOM 0 HA LYS A 11 -2.394 3.906 -12.746 1.00 2.00 H new ATOM 0 HB2 LYS A 11 0.330 3.590 -11.396 1.00 1.83 H new ATOM 0 HB3 LYS A 11 -0.558 2.241 -12.076 1.00 1.83 H new ATOM 0 HG2 LYS A 11 -0.586 3.372 -14.317 1.00 2.28 H new ATOM 0 HG3 LYS A 11 0.265 4.748 -13.644 1.00 2.28 H new ATOM 0 HD2 LYS A 11 1.426 1.923 -13.479 1.00 2.82 H new ATOM 0 HD3 LYS A 11 1.699 2.942 -14.878 1.00 2.82 H new ATOM 0 HE2 LYS A 11 2.583 4.750 -13.297 1.00 3.46 H new ATOM 0 HE3 LYS A 11 2.456 3.594 -11.986 1.00 3.46 H new ATOM 0 HZ1 LYS A 11 4.666 3.882 -13.385 1.00 4.16 H new ATOM 0 HZ2 LYS A 11 4.207 2.373 -12.755 1.00 4.16 H new ATOM 0 HZ3 LYS A 11 3.915 2.737 -14.388 1.00 4.16 H new ATOM 166 N VAL A 12 -2.912 2.325 -10.706 1.00 1.55 N ATOM 167 CA VAL A 12 -3.546 1.670 -9.559 1.00 1.32 C ATOM 168 C VAL A 12 -2.721 0.437 -9.191 1.00 1.20 C ATOM 169 O VAL A 12 -2.187 -0.223 -10.066 1.00 1.58 O ATOM 170 CB VAL A 12 -4.941 1.210 -9.987 1.00 1.42 C ATOM 171 CG1 VAL A 12 -5.961 2.333 -9.778 1.00 2.56 C ATOM 172 CG2 VAL A 12 -4.959 0.779 -11.461 1.00 2.48 C ATOM 0 H VAL A 12 -2.932 1.776 -11.565 1.00 1.55 H new ATOM 0 HA VAL A 12 -3.609 2.352 -8.711 1.00 1.32 H new ATOM 0 HB VAL A 12 -5.207 0.353 -9.369 1.00 1.42 H new ATOM 0 HG11 VAL A 12 -6.948 1.990 -10.087 1.00 2.56 H new ATOM 0 HG12 VAL A 12 -5.987 2.610 -8.724 1.00 2.56 H new ATOM 0 HG13 VAL A 12 -5.675 3.200 -10.374 1.00 2.56 H new ATOM 0 HG21 VAL A 12 -5.964 0.458 -11.734 1.00 2.48 H new ATOM 0 HG22 VAL A 12 -4.663 1.619 -12.089 1.00 2.48 H new ATOM 0 HG23 VAL A 12 -4.262 -0.046 -11.607 1.00 2.48 H new ATOM 182 N PHE A 13 -2.605 0.175 -7.920 1.00 1.09 N ATOM 183 CA PHE A 13 -1.836 -1.024 -7.468 1.00 1.07 C ATOM 184 C PHE A 13 -2.539 -1.644 -6.266 1.00 0.92 C ATOM 185 O PHE A 13 -3.173 -0.931 -5.504 1.00 1.10 O ATOM 186 CB PHE A 13 -0.432 -0.609 -7.019 1.00 1.40 C ATOM 187 CG PHE A 13 0.381 -0.046 -8.188 1.00 1.01 C ATOM 188 CD1 PHE A 13 0.868 -0.887 -9.164 1.00 1.52 C ATOM 189 CD2 PHE A 13 0.681 1.303 -8.256 1.00 1.51 C ATOM 190 CE1 PHE A 13 1.651 -0.397 -10.189 1.00 1.85 C ATOM 191 CE2 PHE A 13 1.463 1.797 -9.282 1.00 1.60 C ATOM 192 CZ PHE A 13 1.953 0.945 -10.247 1.00 1.55 C ATOM 0 H PHE A 13 -3.009 0.738 -7.171 1.00 1.09 H new ATOM 0 HA PHE A 13 -1.773 -1.731 -8.295 1.00 1.07 H new ATOM 0 HB2 PHE A 13 -0.506 0.140 -6.231 1.00 1.40 H new ATOM 0 HB3 PHE A 13 0.085 -1.469 -6.594 1.00 1.40 H new ATOM 0 HD1 PHE A 13 0.635 -1.941 -9.127 1.00 1.52 H new ATOM 0 HD2 PHE A 13 0.301 1.975 -7.501 1.00 1.51 H new ATOM 0 HE1 PHE A 13 2.028 -1.067 -10.947 1.00 1.85 H new ATOM 0 HE2 PHE A 13 1.690 2.852 -9.328 1.00 1.60 H new ATOM 0 HZ PHE A 13 2.571 1.328 -11.045 1.00 1.55 H new ATOM 202 N ARG A 14 -2.450 -2.936 -6.109 1.00 0.79 N ATOM 203 CA ARG A 14 -3.077 -3.544 -4.936 1.00 0.83 C ATOM 204 C ARG A 14 -2.022 -4.333 -4.165 1.00 0.86 C ATOM 205 O ARG A 14 -1.107 -4.904 -4.747 1.00 1.12 O ATOM 206 CB ARG A 14 -4.249 -4.411 -5.397 1.00 0.97 C ATOM 207 CG ARG A 14 -3.893 -5.828 -5.833 1.00 1.89 C ATOM 208 CD ARG A 14 -5.164 -6.658 -5.597 1.00 1.75 C ATOM 209 NE ARG A 14 -5.031 -7.974 -6.257 1.00 2.81 N ATOM 210 CZ ARG A 14 -6.015 -8.451 -6.969 1.00 3.23 C ATOM 211 NH1 ARG A 14 -7.140 -8.735 -6.395 1.00 3.70 N ATOM 212 NH2 ARG A 14 -5.844 -8.629 -8.230 1.00 4.17 N ATOM 0 H ARG A 14 -1.973 -3.578 -6.742 1.00 0.79 H new ATOM 0 HA ARG A 14 -3.477 -2.789 -4.259 1.00 0.83 H new ATOM 0 HB2 ARG A 14 -4.973 -4.472 -4.585 1.00 0.97 H new ATOM 0 HB3 ARG A 14 -4.744 -3.908 -6.228 1.00 0.97 H new ATOM 0 HG2 ARG A 14 -3.596 -5.854 -6.881 1.00 1.89 H new ATOM 0 HG3 ARG A 14 -3.056 -6.218 -5.255 1.00 1.89 H new ATOM 0 HD2 ARG A 14 -5.329 -6.792 -4.528 1.00 1.75 H new ATOM 0 HD3 ARG A 14 -6.033 -6.130 -5.990 1.00 1.75 H new ATOM 0 HE ARG A 14 -4.169 -8.510 -6.156 1.00 2.81 H new ATOM 0 HH11 ARG A 14 -7.253 -8.586 -5.392 1.00 3.70 H new ATOM 0 HH12 ARG A 14 -7.913 -9.108 -6.945 1.00 3.70 H new ATOM 0 HH21 ARG A 14 -4.949 -8.398 -8.661 1.00 4.17 H new ATOM 0 HH22 ARG A 14 -6.604 -9.001 -8.800 1.00 4.17 H new ATOM 226 N VAL A 15 -2.139 -4.320 -2.872 1.00 0.83 N ATOM 227 CA VAL A 15 -1.155 -5.052 -2.036 1.00 0.90 C ATOM 228 C VAL A 15 -1.889 -6.221 -1.397 1.00 0.89 C ATOM 229 O VAL A 15 -3.036 -6.082 -1.010 1.00 0.99 O ATOM 230 CB VAL A 15 -0.613 -4.101 -0.952 1.00 1.11 C ATOM 231 CG1 VAL A 15 0.716 -4.644 -0.407 1.00 1.62 C ATOM 232 CG2 VAL A 15 -0.388 -2.704 -1.553 1.00 1.09 C ATOM 0 H VAL A 15 -2.873 -3.834 -2.357 1.00 0.83 H new ATOM 0 HA VAL A 15 -0.315 -5.414 -2.629 1.00 0.90 H new ATOM 0 HB VAL A 15 -1.337 -4.033 -0.140 1.00 1.11 H new ATOM 0 HG11 VAL A 15 1.098 -3.970 0.360 1.00 1.62 H new ATOM 0 HG12 VAL A 15 0.556 -5.632 0.026 1.00 1.62 H new ATOM 0 HG13 VAL A 15 1.440 -4.717 -1.219 1.00 1.62 H new ATOM 0 HG21 VAL A 15 -0.005 -2.034 -0.783 1.00 1.09 H new ATOM 0 HG22 VAL A 15 0.333 -2.770 -2.368 1.00 1.09 H new ATOM 0 HG23 VAL A 15 -1.332 -2.316 -1.934 1.00 1.09 H new ATOM 242 N ASN A 16 -1.252 -7.346 -1.307 1.00 0.94 N ATOM 243 CA ASN A 16 -1.925 -8.518 -0.692 1.00 0.98 C ATOM 244 C ASN A 16 -1.374 -8.612 0.721 1.00 1.03 C ATOM 245 O ASN A 16 -0.194 -8.837 0.873 1.00 1.63 O ATOM 246 CB ASN A 16 -1.558 -9.769 -1.493 1.00 1.07 C ATOM 247 CG ASN A 16 -1.661 -9.482 -2.996 1.00 2.13 C ATOM 248 OD1 ASN A 16 -2.730 -9.332 -3.549 1.00 2.54 O ATOM 249 ND2 ASN A 16 -0.561 -9.364 -3.682 1.00 3.58 N ATOM 0 H ASN A 16 -0.298 -7.508 -1.630 1.00 0.94 H new ATOM 0 HA ASN A 16 -3.011 -8.425 -0.684 1.00 0.98 H new ATOM 0 HB2 ASN A 16 -0.545 -10.085 -1.244 1.00 1.07 H new ATOM 0 HB3 ASN A 16 -2.223 -10.590 -1.225 1.00 1.07 H new ATOM 0 HD21 ASN A 16 -0.602 -9.147 -4.678 1.00 3.58 H new ATOM 0 HD22 ASN A 16 0.342 -9.489 -3.224 1.00 3.58 H new ATOM 256 N VAL A 17 -2.201 -8.432 1.717 1.00 0.75 N ATOM 257 CA VAL A 17 -1.676 -8.476 3.113 1.00 0.80 C ATOM 258 C VAL A 17 -1.914 -9.841 3.739 1.00 0.78 C ATOM 259 O VAL A 17 -2.961 -10.428 3.555 1.00 1.05 O ATOM 260 CB VAL A 17 -2.412 -7.416 3.944 1.00 0.83 C ATOM 261 CG1 VAL A 17 -1.941 -7.466 5.403 1.00 1.41 C ATOM 262 CG2 VAL A 17 -2.123 -6.027 3.371 1.00 1.52 C ATOM 0 H VAL A 17 -3.202 -8.259 1.627 1.00 0.75 H new ATOM 0 HA VAL A 17 -0.603 -8.283 3.094 1.00 0.80 H new ATOM 0 HB VAL A 17 -3.482 -7.619 3.905 1.00 0.83 H new ATOM 0 HG11 VAL A 17 -2.470 -6.709 5.982 1.00 1.41 H new ATOM 0 HG12 VAL A 17 -2.148 -8.452 5.819 1.00 1.41 H new ATOM 0 HG13 VAL A 17 -0.869 -7.272 5.446 1.00 1.41 H new ATOM 0 HG21 VAL A 17 -2.646 -5.274 3.961 1.00 1.52 H new ATOM 0 HG22 VAL A 17 -1.051 -5.835 3.406 1.00 1.52 H new ATOM 0 HG23 VAL A 17 -2.467 -5.981 2.338 1.00 1.52 H new ATOM 272 N GLU A 18 -0.955 -10.266 4.525 1.00 1.01 N ATOM 273 CA GLU A 18 -1.063 -11.570 5.204 1.00 1.25 C ATOM 274 C GLU A 18 -1.287 -11.352 6.695 1.00 1.29 C ATOM 275 O GLU A 18 -2.266 -11.829 7.235 1.00 1.50 O ATOM 276 CB GLU A 18 0.241 -12.344 4.985 1.00 1.60 C ATOM 277 CG GLU A 18 0.363 -12.775 3.514 1.00 1.80 C ATOM 278 CD GLU A 18 -0.843 -13.623 3.105 1.00 2.51 C ATOM 279 OE1 GLU A 18 -0.786 -14.812 3.355 1.00 3.11 O ATOM 280 OE2 GLU A 18 -1.757 -13.031 2.569 1.00 3.32 O ATOM 0 H GLU A 18 -0.097 -9.750 4.720 1.00 1.01 H new ATOM 0 HA GLU A 18 -1.903 -12.134 4.799 1.00 1.25 H new ATOM 0 HB2 GLU A 18 1.092 -11.722 5.261 1.00 1.60 H new ATOM 0 HB3 GLU A 18 0.265 -13.221 5.632 1.00 1.60 H new ATOM 0 HG2 GLU A 18 0.430 -11.895 2.875 1.00 1.80 H new ATOM 0 HG3 GLU A 18 1.281 -13.344 3.370 1.00 1.80 H new ATOM 287 N ASP A 19 -0.427 -10.592 7.317 1.00 1.24 N ATOM 288 CA ASP A 19 -0.601 -10.373 8.784 1.00 1.42 C ATOM 289 C ASP A 19 -0.314 -8.907 9.119 1.00 1.19 C ATOM 290 O ASP A 19 -0.692 -8.021 8.375 1.00 1.22 O ATOM 291 CB ASP A 19 0.340 -11.327 9.556 1.00 1.82 C ATOM 292 CG ASP A 19 1.770 -10.796 9.532 1.00 1.95 C ATOM 293 OD1 ASP A 19 2.244 -10.556 8.438 1.00 2.29 O ATOM 294 OD2 ASP A 19 2.291 -10.609 10.611 1.00 3.02 O ATOM 0 H ASP A 19 0.370 -10.123 6.887 1.00 1.24 H new ATOM 0 HA ASP A 19 -1.627 -10.591 9.081 1.00 1.42 H new ATOM 0 HB2 ASP A 19 0.000 -11.428 10.587 1.00 1.82 H new ATOM 0 HB3 ASP A 19 0.307 -12.321 9.110 1.00 1.82 H new ATOM 299 N GLU A 20 0.344 -8.684 10.217 1.00 1.14 N ATOM 300 CA GLU A 20 0.677 -7.316 10.640 1.00 1.00 C ATOM 301 C GLU A 20 1.884 -6.784 9.873 1.00 0.83 C ATOM 302 O GLU A 20 1.964 -5.594 9.635 1.00 0.76 O ATOM 303 CB GLU A 20 1.001 -7.376 12.135 1.00 1.14 C ATOM 304 CG GLU A 20 -0.211 -7.860 12.959 1.00 1.58 C ATOM 305 CD GLU A 20 0.156 -7.849 14.452 1.00 2.77 C ATOM 306 OE1 GLU A 20 0.663 -6.820 14.880 1.00 3.90 O ATOM 307 OE2 GLU A 20 -0.099 -8.860 15.087 1.00 3.60 O ATOM 0 H GLU A 20 0.669 -9.416 10.849 1.00 1.14 H new ATOM 0 HA GLU A 20 -0.160 -6.647 10.439 1.00 1.00 H new ATOM 0 HB2 GLU A 20 1.844 -8.047 12.299 1.00 1.14 H new ATOM 0 HB3 GLU A 20 1.307 -6.389 12.482 1.00 1.14 H new ATOM 0 HG2 GLU A 20 -1.070 -7.214 12.779 1.00 1.58 H new ATOM 0 HG3 GLU A 20 -0.498 -8.865 12.650 1.00 1.58 H new ATOM 314 N ASN A 21 2.809 -7.644 9.514 1.00 0.91 N ATOM 315 CA ASN A 21 3.994 -7.215 8.779 1.00 0.90 C ATOM 316 C ASN A 21 3.651 -6.253 7.628 1.00 0.77 C ATOM 317 O ASN A 21 3.858 -5.060 7.740 1.00 0.85 O ATOM 318 CB ASN A 21 4.597 -8.501 8.249 1.00 1.16 C ATOM 319 CG ASN A 21 5.233 -9.322 9.373 1.00 3.04 C ATOM 320 OD1 ASN A 21 6.170 -8.895 10.012 1.00 3.28 O ATOM 321 ND2 ASN A 21 4.768 -10.501 9.640 1.00 5.00 N ATOM 0 H ASN A 21 2.771 -8.643 9.714 1.00 0.91 H new ATOM 0 HA ASN A 21 4.680 -6.659 9.418 1.00 0.90 H new ATOM 0 HB2 ASN A 21 3.824 -9.092 7.757 1.00 1.16 H new ATOM 0 HB3 ASN A 21 5.349 -8.269 7.495 1.00 1.16 H new ATOM 0 HD21 ASN A 21 5.190 -11.060 10.382 1.00 5.00 H new ATOM 0 HD22 ASN A 21 3.980 -10.871 9.109 1.00 5.00 H new ATOM 328 N ASP A 22 3.074 -6.786 6.581 1.00 0.67 N ATOM 329 CA ASP A 22 2.731 -5.934 5.396 1.00 0.66 C ATOM 330 C ASP A 22 1.954 -4.678 5.808 1.00 0.62 C ATOM 331 O ASP A 22 2.186 -3.622 5.255 1.00 0.79 O ATOM 332 CB ASP A 22 1.917 -6.772 4.386 1.00 0.75 C ATOM 333 CG ASP A 22 2.181 -6.247 2.956 1.00 1.87 C ATOM 334 OD1 ASP A 22 3.282 -6.496 2.489 1.00 2.96 O ATOM 335 OD2 ASP A 22 1.296 -5.605 2.419 1.00 2.80 O ATOM 0 H ASP A 22 2.825 -7.771 6.493 1.00 0.67 H new ATOM 0 HA ASP A 22 3.657 -5.598 4.930 1.00 0.66 H new ATOM 0 HB2 ASP A 22 2.198 -7.823 4.458 1.00 0.75 H new ATOM 0 HB3 ASP A 22 0.854 -6.710 4.618 1.00 0.75 H new ATOM 340 N ILE A 23 1.064 -4.782 6.776 1.00 0.53 N ATOM 341 CA ILE A 23 0.321 -3.539 7.157 1.00 0.61 C ATOM 342 C ILE A 23 1.306 -2.527 7.743 1.00 0.65 C ATOM 343 O ILE A 23 1.278 -1.360 7.392 1.00 0.79 O ATOM 344 CB ILE A 23 -0.771 -3.838 8.200 1.00 0.73 C ATOM 345 CG1 ILE A 23 -1.728 -4.900 7.640 1.00 0.72 C ATOM 346 CG2 ILE A 23 -1.551 -2.533 8.466 1.00 1.05 C ATOM 347 CD1 ILE A 23 -2.714 -5.364 8.722 1.00 0.90 C ATOM 0 H ILE A 23 0.831 -5.630 7.293 1.00 0.53 H new ATOM 0 HA ILE A 23 -0.157 -3.137 6.263 1.00 0.61 H new ATOM 0 HB ILE A 23 -0.326 -4.208 9.124 1.00 0.73 H new ATOM 0 HG12 ILE A 23 -2.277 -4.491 6.791 1.00 0.72 H new ATOM 0 HG13 ILE A 23 -1.158 -5.752 7.270 1.00 0.72 H new ATOM 0 HG21 ILE A 23 -2.332 -2.720 9.203 1.00 1.05 H new ATOM 0 HG22 ILE A 23 -0.869 -1.772 8.845 1.00 1.05 H new ATOM 0 HG23 ILE A 23 -2.004 -2.184 7.538 1.00 1.05 H new ATOM 0 HD11 ILE A 23 -3.384 -6.116 8.305 1.00 0.90 H new ATOM 0 HD12 ILE A 23 -2.161 -5.793 9.558 1.00 0.90 H new ATOM 0 HD13 ILE A 23 -3.298 -4.512 9.072 1.00 0.90 H new ATOM 359 N SER A 24 2.147 -3.004 8.625 1.00 0.62 N ATOM 360 CA SER A 24 3.145 -2.103 9.264 1.00 0.70 C ATOM 361 C SER A 24 3.963 -1.414 8.173 1.00 0.68 C ATOM 362 O SER A 24 4.169 -0.220 8.216 1.00 0.88 O ATOM 363 CB SER A 24 4.033 -2.942 10.186 1.00 0.78 C ATOM 364 OG SER A 24 3.099 -3.501 11.110 1.00 1.23 O ATOM 0 H SER A 24 2.184 -3.977 8.928 1.00 0.62 H new ATOM 0 HA SER A 24 2.656 -1.331 9.858 1.00 0.70 H new ATOM 0 HB2 SER A 24 4.569 -3.716 9.636 1.00 0.78 H new ATOM 0 HB3 SER A 24 4.783 -2.332 10.689 1.00 0.78 H new ATOM 0 HG SER A 24 2.716 -4.320 10.733 1.00 1.23 H new ATOM 370 N GLU A 25 4.369 -2.191 7.213 1.00 0.58 N ATOM 371 CA GLU A 25 5.159 -1.632 6.079 1.00 0.63 C ATOM 372 C GLU A 25 4.303 -0.638 5.278 1.00 0.66 C ATOM 373 O GLU A 25 4.582 0.547 5.254 1.00 0.75 O ATOM 374 CB GLU A 25 5.569 -2.804 5.179 1.00 0.73 C ATOM 375 CG GLU A 25 6.249 -3.921 5.994 1.00 1.37 C ATOM 376 CD GLU A 25 7.355 -3.354 6.886 1.00 1.94 C ATOM 377 OE1 GLU A 25 8.282 -2.814 6.308 1.00 2.66 O ATOM 378 OE2 GLU A 25 7.208 -3.510 8.090 1.00 3.02 O ATOM 0 H GLU A 25 4.189 -3.194 7.162 1.00 0.58 H new ATOM 0 HA GLU A 25 6.037 -1.104 6.451 1.00 0.63 H new ATOM 0 HB2 GLU A 25 4.689 -3.203 4.674 1.00 0.73 H new ATOM 0 HB3 GLU A 25 6.249 -2.450 4.404 1.00 0.73 H new ATOM 0 HG2 GLU A 25 5.507 -4.431 6.609 1.00 1.37 H new ATOM 0 HG3 GLU A 25 6.669 -4.666 5.318 1.00 1.37 H new ATOM 385 N LEU A 26 3.250 -1.136 4.667 1.00 0.75 N ATOM 386 CA LEU A 26 2.348 -0.289 3.863 1.00 0.86 C ATOM 387 C LEU A 26 2.003 0.999 4.617 1.00 0.89 C ATOM 388 O LEU A 26 1.912 2.056 4.029 1.00 1.02 O ATOM 389 CB LEU A 26 1.094 -1.138 3.597 1.00 0.93 C ATOM 390 CG LEU A 26 0.000 -0.272 2.987 1.00 0.77 C ATOM 391 CD1 LEU A 26 0.244 -0.075 1.483 1.00 1.76 C ATOM 392 CD2 LEU A 26 -1.371 -0.925 3.216 1.00 1.64 C ATOM 0 H LEU A 26 2.984 -2.120 4.702 1.00 0.75 H new ATOM 0 HA LEU A 26 2.813 0.020 2.927 1.00 0.86 H new ATOM 0 HB2 LEU A 26 1.337 -1.960 2.923 1.00 0.93 H new ATOM 0 HB3 LEU A 26 0.741 -1.582 4.528 1.00 0.93 H new ATOM 0 HG LEU A 26 0.017 0.704 3.471 1.00 0.77 H new ATOM 0 HD11 LEU A 26 -0.548 0.546 1.064 1.00 1.76 H new ATOM 0 HD12 LEU A 26 1.207 0.413 1.331 1.00 1.76 H new ATOM 0 HD13 LEU A 26 0.246 -1.044 0.985 1.00 1.76 H new ATOM 0 HD21 LEU A 26 -2.149 -0.301 2.777 1.00 1.64 H new ATOM 0 HD22 LEU A 26 -1.388 -1.909 2.747 1.00 1.64 H new ATOM 0 HD23 LEU A 26 -1.550 -1.030 4.286 1.00 1.64 H new ATOM 404 N HIS A 27 1.825 0.882 5.906 1.00 0.85 N ATOM 405 CA HIS A 27 1.463 2.080 6.728 1.00 0.97 C ATOM 406 C HIS A 27 2.484 3.216 6.602 1.00 0.96 C ATOM 407 O HIS A 27 2.101 4.370 6.649 1.00 0.97 O ATOM 408 CB HIS A 27 1.337 1.688 8.207 1.00 1.01 C ATOM 409 CG HIS A 27 -0.056 1.967 8.771 1.00 1.16 C ATOM 410 ND1 HIS A 27 -0.654 3.109 8.566 1.00 2.27 N ATOM 411 CD2 HIS A 27 -0.910 1.210 9.528 1.00 1.20 C ATOM 412 CE1 HIS A 27 -1.825 3.079 9.159 1.00 2.36 C ATOM 413 NE2 HIS A 27 -1.974 1.919 9.743 1.00 1.54 N ATOM 0 H HIS A 27 1.914 0.010 6.428 1.00 0.85 H new ATOM 0 HA HIS A 27 0.509 2.443 6.344 1.00 0.97 H new ATOM 0 HB2 HIS A 27 1.565 0.628 8.319 1.00 1.01 H new ATOM 0 HB3 HIS A 27 2.077 2.237 8.789 1.00 1.01 H new ATOM 0 HD2 HIS A 27 -0.730 0.205 9.881 1.00 1.20 H new ATOM 0 HE1 HIS A 27 -2.547 3.882 9.164 1.00 2.36 H new ATOM 0 HE2 HIS A 27 -2.790 1.622 10.278 1.00 1.54 H new ATOM 421 N GLU A 28 3.739 2.879 6.493 1.00 1.04 N ATOM 422 CA GLU A 28 4.785 3.935 6.363 1.00 1.10 C ATOM 423 C GLU A 28 4.501 4.812 5.118 1.00 1.16 C ATOM 424 O GLU A 28 4.798 6.002 5.092 1.00 1.41 O ATOM 425 CB GLU A 28 6.160 3.249 6.276 1.00 1.08 C ATOM 426 CG GLU A 28 7.254 4.324 6.307 1.00 2.01 C ATOM 427 CD GLU A 28 8.548 3.769 5.726 1.00 3.33 C ATOM 428 OE1 GLU A 28 9.178 3.015 6.438 1.00 3.66 O ATOM 429 OE2 GLU A 28 8.825 4.139 4.598 1.00 4.80 O ATOM 0 H GLU A 28 4.086 1.920 6.488 1.00 1.04 H new ATOM 0 HA GLU A 28 4.775 4.594 7.231 1.00 1.10 H new ATOM 0 HB2 GLU A 28 6.289 2.556 7.107 1.00 1.08 H new ATOM 0 HB3 GLU A 28 6.232 2.664 5.359 1.00 1.08 H new ATOM 0 HG2 GLU A 28 6.934 5.196 5.736 1.00 2.01 H new ATOM 0 HG3 GLU A 28 7.419 4.657 7.332 1.00 2.01 H new ATOM 436 N LEU A 29 3.894 4.219 4.119 1.00 1.06 N ATOM 437 CA LEU A 29 3.567 4.995 2.879 1.00 1.15 C ATOM 438 C LEU A 29 2.468 6.015 3.215 1.00 1.22 C ATOM 439 O LEU A 29 2.228 6.951 2.473 1.00 1.81 O ATOM 440 CB LEU A 29 3.106 4.024 1.776 1.00 1.20 C ATOM 441 CG LEU A 29 2.732 4.791 0.486 1.00 1.47 C ATOM 442 CD1 LEU A 29 3.929 5.596 -0.038 1.00 1.56 C ATOM 443 CD2 LEU A 29 2.295 3.797 -0.602 1.00 2.25 C ATOM 0 H LEU A 29 3.612 3.239 4.107 1.00 1.06 H new ATOM 0 HA LEU A 29 4.445 5.529 2.515 1.00 1.15 H new ATOM 0 HB2 LEU A 29 3.900 3.308 1.561 1.00 1.20 H new ATOM 0 HB3 LEU A 29 2.247 3.452 2.126 1.00 1.20 H new ATOM 0 HG LEU A 29 1.917 5.474 0.724 1.00 1.47 H new ATOM 0 HD11 LEU A 29 3.641 6.127 -0.946 1.00 1.56 H new ATOM 0 HD12 LEU A 29 4.243 6.315 0.719 1.00 1.56 H new ATOM 0 HD13 LEU A 29 4.754 4.919 -0.260 1.00 1.56 H new ATOM 0 HD21 LEU A 29 2.033 4.342 -1.509 1.00 2.25 H new ATOM 0 HD22 LEU A 29 3.113 3.109 -0.816 1.00 2.25 H new ATOM 0 HD23 LEU A 29 1.429 3.234 -0.254 1.00 2.25 H new ATOM 455 N ALA A 30 1.823 5.798 4.333 1.00 0.97 N ATOM 456 CA ALA A 30 0.762 6.746 4.785 1.00 1.22 C ATOM 457 C ALA A 30 1.353 7.585 5.925 1.00 1.34 C ATOM 458 O ALA A 30 0.642 8.227 6.676 1.00 1.95 O ATOM 459 CB ALA A 30 -0.454 5.956 5.303 1.00 1.44 C ATOM 0 H ALA A 30 1.986 5.004 4.952 1.00 0.97 H new ATOM 0 HA ALA A 30 0.438 7.383 3.962 1.00 1.22 H new ATOM 0 HB1 ALA A 30 -1.226 6.651 5.632 1.00 1.44 H new ATOM 0 HB2 ALA A 30 -0.848 5.328 4.503 1.00 1.44 H new ATOM 0 HB3 ALA A 30 -0.150 5.328 6.141 1.00 1.44 H new ATOM 465 N SER A 31 2.663 7.539 6.023 1.00 1.57 N ATOM 466 CA SER A 31 3.381 8.305 7.091 1.00 1.96 C ATOM 467 C SER A 31 4.489 9.187 6.499 1.00 2.18 C ATOM 468 O SER A 31 4.932 10.119 7.148 1.00 2.84 O ATOM 469 CB SER A 31 4.011 7.304 8.072 1.00 2.42 C ATOM 470 OG SER A 31 4.569 8.105 9.115 1.00 3.04 O ATOM 0 H SER A 31 3.268 6.999 5.404 1.00 1.57 H new ATOM 0 HA SER A 31 2.664 8.952 7.597 1.00 1.96 H new ATOM 0 HB2 SER A 31 3.265 6.612 8.463 1.00 2.42 H new ATOM 0 HB3 SER A 31 4.778 6.703 7.583 1.00 2.42 H new ATOM 0 HG SER A 31 4.990 7.525 9.783 1.00 3.04 H new ATOM 476 N THR A 32 4.940 8.849 5.319 1.00 1.94 N ATOM 477 CA THR A 32 6.033 9.639 4.670 1.00 2.39 C ATOM 478 C THR A 32 5.505 10.514 3.523 1.00 2.46 C ATOM 479 O THR A 32 5.641 11.724 3.540 1.00 2.96 O ATOM 480 CB THR A 32 7.041 8.621 4.132 1.00 2.47 C ATOM 481 OG1 THR A 32 6.233 7.663 3.453 1.00 2.72 O ATOM 482 CG2 THR A 32 7.728 7.847 5.263 1.00 3.30 C ATOM 0 H THR A 32 4.598 8.058 4.774 1.00 1.94 H new ATOM 0 HA THR A 32 6.485 10.318 5.393 1.00 2.39 H new ATOM 0 HB THR A 32 7.801 9.122 3.533 1.00 2.47 H new ATOM 0 HG1 THR A 32 5.871 7.022 4.101 1.00 2.72 H new ATOM 0 HG21 THR A 32 8.436 7.135 4.839 1.00 3.30 H new ATOM 0 HG22 THR A 32 8.259 8.544 5.911 1.00 3.30 H new ATOM 0 HG23 THR A 32 6.978 7.311 5.845 1.00 3.30 H new ATOM 490 N ARG A 33 4.919 9.879 2.547 1.00 2.61 N ATOM 491 CA ARG A 33 4.370 10.634 1.386 1.00 3.06 C ATOM 492 C ARG A 33 2.849 10.503 1.406 1.00 1.91 C ATOM 493 O ARG A 33 2.311 9.829 2.258 1.00 2.58 O ATOM 494 CB ARG A 33 4.918 10.016 0.089 1.00 4.54 C ATOM 495 CG ARG A 33 4.973 11.081 -1.016 1.00 5.89 C ATOM 496 CD ARG A 33 4.549 10.481 -2.361 1.00 6.96 C ATOM 497 NE ARG A 33 4.708 11.548 -3.395 1.00 8.04 N ATOM 498 CZ ARG A 33 3.682 12.215 -3.861 1.00 8.28 C ATOM 499 NH1 ARG A 33 2.519 12.125 -3.264 1.00 8.16 N ATOM 500 NH2 ARG A 33 3.861 12.969 -4.912 1.00 9.12 N ATOM 0 H ARG A 33 4.796 8.867 2.503 1.00 2.61 H new ATOM 0 HA ARG A 33 4.657 11.684 1.440 1.00 3.06 H new ATOM 0 HB2 ARG A 33 5.914 9.608 0.263 1.00 4.54 H new ATOM 0 HB3 ARG A 33 4.284 9.187 -0.225 1.00 4.54 H new ATOM 0 HG2 ARG A 33 4.318 11.914 -0.760 1.00 5.89 H new ATOM 0 HG3 ARG A 33 5.984 11.482 -1.092 1.00 5.89 H new ATOM 0 HD2 ARG A 33 5.163 9.615 -2.606 1.00 6.96 H new ATOM 0 HD3 ARG A 33 3.515 10.137 -2.319 1.00 6.96 H new ATOM 0 HE ARG A 33 5.641 11.763 -3.747 1.00 8.04 H new ATOM 0 HH11 ARG A 33 2.414 11.536 -2.438 1.00 8.16 H new ATOM 0 HH12 ARG A 33 1.719 12.644 -3.626 1.00 8.16 H new ATOM 0 HH21 ARG A 33 4.782 13.027 -5.347 1.00 9.12 H new ATOM 0 HH22 ARG A 33 3.080 13.500 -5.297 1.00 9.12 H new ATOM 514 N GLN A 34 2.187 11.159 0.491 1.00 1.79 N ATOM 515 CA GLN A 34 0.701 11.047 0.443 1.00 2.09 C ATOM 516 C GLN A 34 0.336 10.142 -0.732 1.00 1.70 C ATOM 517 O GLN A 34 1.090 10.068 -1.693 1.00 2.10 O ATOM 518 CB GLN A 34 0.076 12.431 0.238 1.00 3.59 C ATOM 519 CG GLN A 34 0.500 13.369 1.378 1.00 4.24 C ATOM 520 CD GLN A 34 -0.281 14.682 1.282 1.00 5.68 C ATOM 521 OE1 GLN A 34 -0.614 15.140 0.211 1.00 6.25 O ATOM 522 NE2 GLN A 34 -0.590 15.326 2.366 1.00 6.93 N ATOM 0 H GLN A 34 2.605 11.761 -0.218 1.00 1.79 H new ATOM 0 HA GLN A 34 0.325 10.633 1.379 1.00 2.09 H new ATOM 0 HB2 GLN A 34 0.391 12.844 -0.721 1.00 3.59 H new ATOM 0 HB3 GLN A 34 -1.010 12.348 0.208 1.00 3.59 H new ATOM 0 HG2 GLN A 34 0.314 12.894 2.341 1.00 4.24 H new ATOM 0 HG3 GLN A 34 1.570 13.566 1.321 1.00 4.24 H new ATOM 0 HE21 GLN A 34 -0.317 14.954 3.276 1.00 6.93 H new ATOM 0 HE22 GLN A 34 -1.106 16.204 2.308 1.00 6.93 H new ATOM 531 N ILE A 35 -0.785 9.469 -0.618 1.00 1.63 N ATOM 532 CA ILE A 35 -1.239 8.545 -1.702 1.00 1.26 C ATOM 533 C ILE A 35 -2.768 8.610 -1.848 1.00 1.26 C ATOM 534 O ILE A 35 -3.387 9.582 -1.447 1.00 2.09 O ATOM 535 CB ILE A 35 -0.793 7.112 -1.354 1.00 1.42 C ATOM 536 CG1 ILE A 35 -1.490 6.652 -0.054 1.00 2.03 C ATOM 537 CG2 ILE A 35 0.733 7.107 -1.153 1.00 2.26 C ATOM 538 CD1 ILE A 35 -1.102 5.203 0.271 1.00 1.93 C ATOM 0 H ILE A 35 -1.409 9.522 0.187 1.00 1.63 H new ATOM 0 HA ILE A 35 -0.794 8.844 -2.651 1.00 1.26 H new ATOM 0 HB ILE A 35 -1.064 6.431 -2.161 1.00 1.42 H new ATOM 0 HG12 ILE A 35 -1.206 7.306 0.771 1.00 2.03 H new ATOM 0 HG13 ILE A 35 -2.571 6.730 -0.165 1.00 2.03 H new ATOM 0 HG21 ILE A 35 1.064 6.098 -0.906 1.00 2.26 H new ATOM 0 HG22 ILE A 35 1.222 7.435 -2.070 1.00 2.26 H new ATOM 0 HG23 ILE A 35 0.995 7.784 -0.340 1.00 2.26 H new ATOM 0 HD11 ILE A 35 -1.599 4.890 1.189 1.00 1.93 H new ATOM 0 HD12 ILE A 35 -1.409 4.552 -0.548 1.00 1.93 H new ATOM 0 HD13 ILE A 35 -0.022 5.136 0.403 1.00 1.93 H new ATOM 550 N ASP A 36 -3.334 7.602 -2.465 1.00 1.07 N ATOM 551 CA ASP A 36 -4.817 7.541 -2.665 1.00 1.41 C ATOM 552 C ASP A 36 -5.290 6.116 -2.327 1.00 1.09 C ATOM 553 O ASP A 36 -4.642 5.173 -2.737 1.00 1.05 O ATOM 554 CB ASP A 36 -5.098 7.864 -4.143 1.00 2.13 C ATOM 555 CG ASP A 36 -6.596 7.921 -4.457 1.00 2.70 C ATOM 556 OD1 ASP A 36 -7.376 7.876 -3.517 1.00 3.11 O ATOM 557 OD2 ASP A 36 -6.870 8.031 -5.642 1.00 3.95 O ATOM 0 H ASP A 36 -2.823 6.805 -2.845 1.00 1.07 H new ATOM 0 HA ASP A 36 -5.343 8.251 -2.027 1.00 1.41 H new ATOM 0 HB2 ASP A 36 -4.641 8.821 -4.396 1.00 2.13 H new ATOM 0 HB3 ASP A 36 -4.627 7.109 -4.772 1.00 2.13 H new ATOM 562 N PHE A 37 -6.407 5.977 -1.651 1.00 1.11 N ATOM 563 CA PHE A 37 -6.901 4.600 -1.286 1.00 0.90 C ATOM 564 C PHE A 37 -8.257 4.363 -1.944 1.00 1.02 C ATOM 565 O PHE A 37 -9.119 5.218 -1.898 1.00 1.39 O ATOM 566 CB PHE A 37 -7.037 4.465 0.245 1.00 1.06 C ATOM 567 CG PHE A 37 -5.744 3.876 0.835 1.00 0.94 C ATOM 568 CD1 PHE A 37 -5.288 2.639 0.418 1.00 1.34 C ATOM 569 CD2 PHE A 37 -5.003 4.585 1.763 1.00 1.22 C ATOM 570 CE1 PHE A 37 -4.108 2.125 0.907 1.00 1.56 C ATOM 571 CE2 PHE A 37 -3.822 4.067 2.256 1.00 1.37 C ATOM 572 CZ PHE A 37 -3.372 2.837 1.824 1.00 1.38 C ATOM 0 H PHE A 37 -6.997 6.747 -1.336 1.00 1.11 H new ATOM 0 HA PHE A 37 -6.183 3.859 -1.638 1.00 0.90 H new ATOM 0 HB2 PHE A 37 -7.238 5.440 0.688 1.00 1.06 H new ATOM 0 HB3 PHE A 37 -7.884 3.823 0.489 1.00 1.06 H new ATOM 0 HD1 PHE A 37 -5.863 2.071 -0.298 1.00 1.34 H new ATOM 0 HD2 PHE A 37 -5.350 5.549 2.104 1.00 1.22 H new ATOM 0 HE1 PHE A 37 -3.760 1.160 0.569 1.00 1.56 H new ATOM 0 HE2 PHE A 37 -3.249 4.626 2.981 1.00 1.37 H new ATOM 0 HZ PHE A 37 -2.445 2.435 2.205 1.00 1.38 H new ATOM 582 N TRP A 38 -8.444 3.184 -2.492 1.00 1.00 N ATOM 583 CA TRP A 38 -9.732 2.893 -3.190 1.00 1.20 C ATOM 584 C TRP A 38 -10.532 1.818 -2.444 1.00 1.20 C ATOM 585 O TRP A 38 -11.705 2.006 -2.175 1.00 1.45 O ATOM 586 CB TRP A 38 -9.396 2.432 -4.618 1.00 1.32 C ATOM 587 CG TRP A 38 -10.550 2.400 -5.630 1.00 1.95 C ATOM 588 CD1 TRP A 38 -11.842 2.804 -5.422 1.00 2.83 C ATOM 589 CD2 TRP A 38 -10.539 1.976 -6.937 1.00 2.34 C ATOM 590 NE1 TRP A 38 -12.548 2.636 -6.509 1.00 3.64 N ATOM 591 CE2 TRP A 38 -11.809 2.124 -7.473 1.00 3.35 C ATOM 592 CE3 TRP A 38 -9.496 1.453 -7.680 1.00 2.23 C ATOM 593 CZ2 TRP A 38 -12.064 1.745 -8.766 1.00 3.99 C ATOM 594 CZ3 TRP A 38 -9.769 1.071 -8.984 1.00 2.89 C ATOM 595 CH2 TRP A 38 -11.042 1.210 -9.522 1.00 3.67 C ATOM 0 H TRP A 38 -7.767 2.421 -2.485 1.00 1.00 H new ATOM 0 HA TRP A 38 -10.353 3.788 -3.218 1.00 1.20 H new ATOM 0 HB2 TRP A 38 -8.619 3.087 -5.011 1.00 1.32 H new ATOM 0 HB3 TRP A 38 -8.969 1.431 -4.559 1.00 1.32 H new ATOM 0 HD1 TRP A 38 -12.223 3.204 -4.494 1.00 2.83 H new ATOM 0 HE1 TRP A 38 -13.537 2.869 -6.599 1.00 3.64 H new ATOM 0 HE3 TRP A 38 -8.507 1.346 -7.260 1.00 2.23 H new ATOM 0 HZ2 TRP A 38 -13.052 1.864 -9.187 1.00 3.99 H new ATOM 0 HZ3 TRP A 38 -8.978 0.658 -9.592 1.00 2.89 H new ATOM 0 HH2 TRP A 38 -11.233 0.897 -10.538 1.00 3.67 H new ATOM 606 N LYS A 39 -9.901 0.700 -2.164 1.00 1.04 N ATOM 607 CA LYS A 39 -10.611 -0.400 -1.425 1.00 1.10 C ATOM 608 C LYS A 39 -9.655 -0.997 -0.376 1.00 0.96 C ATOM 609 O LYS A 39 -8.453 -0.967 -0.578 1.00 0.93 O ATOM 610 CB LYS A 39 -11.019 -1.533 -2.391 1.00 1.32 C ATOM 611 CG LYS A 39 -11.330 -1.003 -3.803 1.00 2.24 C ATOM 612 CD LYS A 39 -11.554 -2.217 -4.725 1.00 2.79 C ATOM 613 CE LYS A 39 -11.613 -1.798 -6.200 1.00 3.63 C ATOM 614 NZ LYS A 39 -10.361 -1.107 -6.620 1.00 4.14 N ATOM 0 H LYS A 39 -8.932 0.501 -2.412 1.00 1.04 H new ATOM 0 HA LYS A 39 -11.502 0.019 -0.957 1.00 1.10 H new ATOM 0 HB2 LYS A 39 -10.216 -2.267 -2.448 1.00 1.32 H new ATOM 0 HB3 LYS A 39 -11.895 -2.048 -1.996 1.00 1.32 H new ATOM 0 HG2 LYS A 39 -12.216 -0.368 -3.786 1.00 2.24 H new ATOM 0 HG3 LYS A 39 -10.506 -0.391 -4.171 1.00 2.24 H new ATOM 0 HD2 LYS A 39 -10.749 -2.938 -4.582 1.00 2.79 H new ATOM 0 HD3 LYS A 39 -12.482 -2.718 -4.450 1.00 2.79 H new ATOM 0 HE2 LYS A 39 -11.771 -2.678 -6.824 1.00 3.63 H new ATOM 0 HE3 LYS A 39 -12.465 -1.137 -6.358 1.00 3.63 H new ATOM 0 HZ1 LYS A 39 -10.599 -0.200 -7.069 1.00 4.14 H new ATOM 0 HZ2 LYS A 39 -9.763 -0.934 -5.787 1.00 4.14 H new ATOM 0 HZ3 LYS A 39 -9.846 -1.704 -7.298 1.00 4.14 H new ATOM 628 N PRO A 40 -10.192 -1.582 0.684 1.00 1.28 N ATOM 629 CA PRO A 40 -11.615 -1.448 1.086 1.00 1.92 C ATOM 630 C PRO A 40 -11.822 -0.170 1.903 1.00 2.11 C ATOM 631 O PRO A 40 -12.583 0.695 1.530 1.00 3.05 O ATOM 632 CB PRO A 40 -11.887 -2.692 1.956 1.00 2.68 C ATOM 633 CG PRO A 40 -10.569 -3.508 1.997 1.00 2.45 C ATOM 634 CD PRO A 40 -9.457 -2.570 1.504 1.00 1.51 C ATOM 0 HA PRO A 40 -12.285 -1.384 0.229 1.00 1.92 H new ATOM 0 HB2 PRO A 40 -12.193 -2.401 2.961 1.00 2.68 H new ATOM 0 HB3 PRO A 40 -12.697 -3.288 1.536 1.00 2.68 H new ATOM 0 HG2 PRO A 40 -10.361 -3.858 3.008 1.00 2.45 H new ATOM 0 HG3 PRO A 40 -10.640 -4.391 1.363 1.00 2.45 H new ATOM 0 HD2 PRO A 40 -8.933 -2.095 2.333 1.00 1.51 H new ATOM 0 HD3 PRO A 40 -8.709 -3.104 0.918 1.00 1.51 H new ATOM 642 N ASP A 41 -11.120 -0.099 3.000 1.00 2.24 N ATOM 643 CA ASP A 41 -11.222 1.082 3.908 1.00 2.78 C ATOM 644 C ASP A 41 -9.965 1.949 3.809 1.00 2.19 C ATOM 645 O ASP A 41 -10.010 3.012 3.222 1.00 2.44 O ATOM 646 CB ASP A 41 -11.411 0.591 5.361 1.00 4.11 C ATOM 647 CG ASP A 41 -10.515 -0.619 5.663 1.00 5.05 C ATOM 648 OD1 ASP A 41 -10.798 -1.681 5.151 1.00 5.88 O ATOM 649 OD2 ASP A 41 -9.593 -0.436 6.408 1.00 5.69 O ATOM 0 H ASP A 41 -10.469 -0.820 3.312 1.00 2.24 H new ATOM 0 HA ASP A 41 -12.078 1.687 3.610 1.00 2.78 H new ATOM 0 HB2 ASP A 41 -11.178 1.400 6.053 1.00 4.11 H new ATOM 0 HB3 ASP A 41 -12.455 0.323 5.523 1.00 4.11 H new ATOM 654 N SER A 42 -8.882 1.468 4.364 1.00 2.26 N ATOM 655 CA SER A 42 -7.585 2.218 4.337 1.00 2.51 C ATOM 656 C SER A 42 -6.762 1.767 5.530 1.00 1.72 C ATOM 657 O SER A 42 -7.304 1.237 6.482 1.00 2.02 O ATOM 658 CB SER A 42 -7.844 3.740 4.443 1.00 3.18 C ATOM 659 OG SER A 42 -6.667 4.318 5.011 1.00 3.93 O ATOM 0 H SER A 42 -8.839 0.569 4.845 1.00 2.26 H new ATOM 0 HA SER A 42 -7.060 2.019 3.403 1.00 2.51 H new ATOM 0 HB2 SER A 42 -8.050 4.167 3.461 1.00 3.18 H new ATOM 0 HB3 SER A 42 -8.714 3.942 5.067 1.00 3.18 H new ATOM 0 HG SER A 42 -6.913 4.869 5.783 1.00 3.93 H new ATOM 665 N VAL A 43 -5.475 2.020 5.468 1.00 1.67 N ATOM 666 CA VAL A 43 -4.566 1.664 6.528 1.00 1.17 C ATOM 667 C VAL A 43 -5.196 2.040 7.839 1.00 1.11 C ATOM 668 O VAL A 43 -5.037 1.386 8.848 1.00 1.56 O ATOM 669 CB VAL A 43 -3.330 2.491 6.243 1.00 1.34 C ATOM 670 CG1 VAL A 43 -2.840 2.227 4.846 1.00 2.95 C ATOM 671 CG2 VAL A 43 -3.580 3.999 6.396 1.00 2.78 C ATOM 0 H VAL A 43 -5.029 2.481 4.675 1.00 1.67 H new ATOM 0 HA VAL A 43 -4.328 0.602 6.580 1.00 1.17 H new ATOM 0 HB VAL A 43 -2.582 2.193 6.978 1.00 1.34 H new ATOM 0 HG11 VAL A 43 -1.951 2.827 4.653 1.00 2.95 H new ATOM 0 HG12 VAL A 43 -2.594 1.170 4.740 1.00 2.95 H new ATOM 0 HG13 VAL A 43 -3.619 2.492 4.131 1.00 2.95 H new ATOM 0 HG21 VAL A 43 -2.661 4.544 6.180 1.00 2.78 H new ATOM 0 HG22 VAL A 43 -4.359 4.311 5.700 1.00 2.78 H new ATOM 0 HG23 VAL A 43 -3.898 4.213 7.416 1.00 2.78 H new ATOM 681 N THR A 44 -5.919 3.107 7.750 1.00 1.84 N ATOM 682 CA THR A 44 -6.600 3.633 8.923 1.00 2.61 C ATOM 683 C THR A 44 -7.755 2.696 9.316 1.00 2.88 C ATOM 684 O THR A 44 -8.907 3.019 9.078 1.00 4.73 O ATOM 685 CB THR A 44 -7.109 5.029 8.554 1.00 3.46 C ATOM 686 OG1 THR A 44 -7.826 4.839 7.339 1.00 3.41 O ATOM 687 CG2 THR A 44 -5.951 5.942 8.156 1.00 3.80 C ATOM 0 H THR A 44 -6.063 3.640 6.892 1.00 1.84 H new ATOM 0 HA THR A 44 -5.932 3.697 9.782 1.00 2.61 H new ATOM 0 HB THR A 44 -7.669 5.456 9.386 1.00 3.46 H new ATOM 0 HG1 THR A 44 -8.531 4.173 7.476 1.00 3.41 H new ATOM 0 HG21 THR A 44 -6.337 6.928 7.898 1.00 3.80 H new ATOM 0 HG22 THR A 44 -5.255 6.032 8.990 1.00 3.80 H new ATOM 0 HG23 THR A 44 -5.433 5.519 7.295 1.00 3.80 H new ATOM 695 N GLN A 45 -7.375 1.562 9.875 1.00 1.84 N ATOM 696 CA GLN A 45 -8.308 0.473 10.335 1.00 2.02 C ATOM 697 C GLN A 45 -8.330 -0.645 9.287 1.00 1.88 C ATOM 698 O GLN A 45 -9.356 -1.266 9.072 1.00 2.13 O ATOM 699 CB GLN A 45 -9.749 0.976 10.565 1.00 2.41 C ATOM 700 CG GLN A 45 -9.760 2.041 11.669 1.00 3.39 C ATOM 701 CD GLN A 45 -11.056 2.845 11.584 1.00 4.01 C ATOM 702 OE1 GLN A 45 -11.843 2.888 12.508 1.00 4.86 O ATOM 703 NE2 GLN A 45 -11.310 3.492 10.488 1.00 4.41 N ATOM 0 H GLN A 45 -6.394 1.338 10.039 1.00 1.84 H new ATOM 0 HA GLN A 45 -7.934 0.109 11.292 1.00 2.02 H new ATOM 0 HB2 GLN A 45 -10.150 1.393 9.641 1.00 2.41 H new ATOM 0 HB3 GLN A 45 -10.394 0.143 10.845 1.00 2.41 H new ATOM 0 HG2 GLN A 45 -9.676 1.568 12.647 1.00 3.39 H new ATOM 0 HG3 GLN A 45 -8.901 2.703 11.560 1.00 3.39 H new ATOM 0 HE21 GLN A 45 -10.650 3.457 9.711 1.00 4.41 H new ATOM 0 HE22 GLN A 45 -12.169 4.035 10.404 1.00 4.41 H new ATOM 712 N ILE A 46 -7.187 -0.950 8.724 1.00 1.63 N ATOM 713 CA ILE A 46 -7.163 -2.028 7.688 1.00 1.59 C ATOM 714 C ILE A 46 -6.939 -3.387 8.363 1.00 1.51 C ATOM 715 O ILE A 46 -6.548 -3.460 9.514 1.00 1.48 O ATOM 716 CB ILE A 46 -6.071 -1.689 6.642 1.00 1.38 C ATOM 717 CG1 ILE A 46 -6.674 -1.825 5.231 1.00 1.38 C ATOM 718 CG2 ILE A 46 -4.843 -2.609 6.770 1.00 1.51 C ATOM 719 CD1 ILE A 46 -5.697 -1.274 4.188 1.00 2.25 C ATOM 0 H ILE A 46 -6.290 -0.511 8.930 1.00 1.63 H new ATOM 0 HA ILE A 46 -8.117 -2.089 7.165 1.00 1.59 H new ATOM 0 HB ILE A 46 -5.734 -0.668 6.820 1.00 1.38 H new ATOM 0 HG12 ILE A 46 -6.892 -2.872 5.019 1.00 1.38 H new ATOM 0 HG13 ILE A 46 -7.619 -1.285 5.177 1.00 1.38 H new ATOM 0 HG21 ILE A 46 -4.103 -2.335 6.017 1.00 1.51 H new ATOM 0 HG22 ILE A 46 -4.408 -2.499 7.763 1.00 1.51 H new ATOM 0 HG23 ILE A 46 -5.147 -3.645 6.620 1.00 1.51 H new ATOM 0 HD11 ILE A 46 -6.132 -1.374 3.193 1.00 2.25 H new ATOM 0 HD12 ILE A 46 -5.500 -0.222 4.394 1.00 2.25 H new ATOM 0 HD13 ILE A 46 -4.763 -1.833 4.234 1.00 2.25 H new ATOM 731 N LYS A 47 -7.184 -4.438 7.625 1.00 1.66 N ATOM 732 CA LYS A 47 -7.032 -5.811 8.202 1.00 1.75 C ATOM 733 C LYS A 47 -5.890 -6.593 7.521 1.00 1.46 C ATOM 734 O LYS A 47 -5.413 -6.217 6.466 1.00 1.49 O ATOM 735 CB LYS A 47 -8.357 -6.573 7.999 1.00 2.37 C ATOM 736 CG LYS A 47 -9.416 -6.182 9.059 1.00 2.97 C ATOM 737 CD LYS A 47 -9.816 -4.691 9.008 1.00 4.67 C ATOM 738 CE LYS A 47 -10.329 -4.297 7.614 1.00 6.28 C ATOM 739 NZ LYS A 47 -10.690 -2.847 7.568 1.00 7.71 N ATOM 0 H LYS A 47 -7.482 -4.408 6.650 1.00 1.66 H new ATOM 0 HA LYS A 47 -6.789 -5.718 9.260 1.00 1.75 H new ATOM 0 HB2 LYS A 47 -8.747 -6.365 7.003 1.00 2.37 H new ATOM 0 HB3 LYS A 47 -8.171 -7.646 8.051 1.00 2.37 H new ATOM 0 HG2 LYS A 47 -10.306 -6.794 8.915 1.00 2.97 H new ATOM 0 HG3 LYS A 47 -9.028 -6.412 10.051 1.00 2.97 H new ATOM 0 HD2 LYS A 47 -10.589 -4.494 9.751 1.00 4.67 H new ATOM 0 HD3 LYS A 47 -8.957 -4.073 9.270 1.00 4.67 H new ATOM 0 HE2 LYS A 47 -9.564 -4.509 6.867 1.00 6.28 H new ATOM 0 HE3 LYS A 47 -11.200 -4.901 7.359 1.00 6.28 H new ATOM 0 HZ1 LYS A 47 -10.920 -2.577 6.590 1.00 7.71 H new ATOM 0 HZ2 LYS A 47 -11.515 -2.675 8.178 1.00 7.71 H new ATOM 0 HZ3 LYS A 47 -9.887 -2.278 7.904 1.00 7.71 H new ATOM 753 N PRO A 48 -5.482 -7.680 8.153 1.00 1.47 N ATOM 754 CA PRO A 48 -4.652 -8.721 7.500 1.00 1.34 C ATOM 755 C PRO A 48 -5.510 -9.764 6.769 1.00 1.04 C ATOM 756 O PRO A 48 -6.723 -9.663 6.741 1.00 1.18 O ATOM 757 CB PRO A 48 -3.884 -9.360 8.656 1.00 1.63 C ATOM 758 CG PRO A 48 -4.677 -9.046 9.947 1.00 1.76 C ATOM 759 CD PRO A 48 -5.657 -7.904 9.612 1.00 1.81 C ATOM 0 HA PRO A 48 -3.999 -8.301 6.735 1.00 1.34 H new ATOM 0 HB2 PRO A 48 -3.792 -10.436 8.511 1.00 1.63 H new ATOM 0 HB3 PRO A 48 -2.872 -8.959 8.717 1.00 1.63 H new ATOM 0 HG2 PRO A 48 -5.217 -9.928 10.291 1.00 1.76 H new ATOM 0 HG3 PRO A 48 -4.003 -8.751 10.751 1.00 1.76 H new ATOM 0 HD2 PRO A 48 -6.684 -8.179 9.851 1.00 1.81 H new ATOM 0 HD3 PRO A 48 -5.428 -7.004 10.182 1.00 1.81 H new ATOM 767 N HIS A 49 -4.855 -10.756 6.194 1.00 1.07 N ATOM 768 CA HIS A 49 -5.597 -11.828 5.437 1.00 1.35 C ATOM 769 C HIS A 49 -6.559 -11.175 4.432 1.00 1.17 C ATOM 770 O HIS A 49 -7.554 -11.756 4.045 1.00 1.42 O ATOM 771 CB HIS A 49 -6.426 -12.705 6.407 1.00 1.75 C ATOM 772 CG HIS A 49 -5.642 -13.770 7.186 1.00 1.59 C ATOM 773 ND1 HIS A 49 -6.256 -14.617 7.980 1.00 2.77 N ATOM 774 CD2 HIS A 49 -4.310 -14.092 7.231 1.00 1.94 C ATOM 775 CE1 HIS A 49 -5.365 -15.431 8.499 1.00 2.87 C ATOM 776 NE2 HIS A 49 -4.181 -15.104 8.039 1.00 2.31 N ATOM 0 H HIS A 49 -3.842 -10.869 6.216 1.00 1.07 H new ATOM 0 HA HIS A 49 -4.867 -12.450 4.919 1.00 1.35 H new ATOM 0 HB2 HIS A 49 -6.922 -12.050 7.124 1.00 1.75 H new ATOM 0 HB3 HIS A 49 -7.209 -13.204 5.836 1.00 1.75 H new ATOM 0 HD2 HIS A 49 -3.514 -13.597 6.695 1.00 1.94 H new ATOM 0 HE1 HIS A 49 -5.573 -16.235 9.189 1.00 2.87 H new ATOM 0 HE2 HIS A 49 -3.303 -15.567 8.276 1.00 2.31 H new ATOM 784 N SER A 50 -6.231 -9.971 4.034 1.00 1.04 N ATOM 785 CA SER A 50 -7.092 -9.217 3.071 1.00 1.16 C ATOM 786 C SER A 50 -6.223 -8.529 2.014 1.00 1.18 C ATOM 787 O SER A 50 -5.016 -8.440 2.158 1.00 1.96 O ATOM 788 CB SER A 50 -7.880 -8.143 3.835 1.00 1.27 C ATOM 789 OG SER A 50 -8.591 -8.851 4.845 1.00 2.40 O ATOM 0 H SER A 50 -5.394 -9.473 4.339 1.00 1.04 H new ATOM 0 HA SER A 50 -7.773 -9.914 2.583 1.00 1.16 H new ATOM 0 HB2 SER A 50 -7.212 -7.400 4.271 1.00 1.27 H new ATOM 0 HB3 SER A 50 -8.562 -7.610 3.173 1.00 1.27 H new ATOM 0 HG SER A 50 -7.975 -9.101 5.565 1.00 2.40 H new ATOM 795 N THR A 51 -6.848 -8.039 0.979 1.00 1.15 N ATOM 796 CA THR A 51 -6.098 -7.333 -0.100 1.00 1.14 C ATOM 797 C THR A 51 -6.398 -5.827 -0.024 1.00 1.13 C ATOM 798 O THR A 51 -7.484 -5.447 0.365 1.00 1.26 O ATOM 799 CB THR A 51 -6.579 -7.898 -1.451 1.00 1.37 C ATOM 800 OG1 THR A 51 -7.906 -8.375 -1.197 1.00 1.86 O ATOM 801 CG2 THR A 51 -5.791 -9.146 -1.867 1.00 1.94 C ATOM 0 H THR A 51 -7.856 -8.098 0.833 1.00 1.15 H new ATOM 0 HA THR A 51 -5.024 -7.482 0.010 1.00 1.14 H new ATOM 0 HB THR A 51 -6.481 -7.132 -2.220 1.00 1.37 H new ATOM 0 HG1 THR A 51 -8.282 -8.751 -2.020 1.00 1.86 H new ATOM 0 HG21 THR A 51 -6.164 -9.509 -2.824 1.00 1.94 H new ATOM 0 HG22 THR A 51 -4.735 -8.895 -1.961 1.00 1.94 H new ATOM 0 HG23 THR A 51 -5.913 -9.922 -1.112 1.00 1.94 H new ATOM 809 N VAL A 52 -5.431 -5.006 -0.347 1.00 1.11 N ATOM 810 CA VAL A 52 -5.653 -3.529 -0.323 1.00 1.17 C ATOM 811 C VAL A 52 -5.584 -3.036 -1.766 1.00 1.08 C ATOM 812 O VAL A 52 -4.751 -3.495 -2.530 1.00 1.19 O ATOM 813 CB VAL A 52 -4.561 -2.819 0.504 1.00 1.40 C ATOM 814 CG1 VAL A 52 -4.919 -1.327 0.629 1.00 1.97 C ATOM 815 CG2 VAL A 52 -4.441 -3.451 1.903 1.00 1.65 C ATOM 0 H VAL A 52 -4.494 -5.297 -0.627 1.00 1.11 H new ATOM 0 HA VAL A 52 -6.618 -3.309 0.133 1.00 1.17 H new ATOM 0 HB VAL A 52 -3.601 -2.929 -0.001 1.00 1.40 H new ATOM 0 HG11 VAL A 52 -4.153 -0.817 1.212 1.00 1.97 H new ATOM 0 HG12 VAL A 52 -4.976 -0.882 -0.364 1.00 1.97 H new ATOM 0 HG13 VAL A 52 -5.883 -1.225 1.128 1.00 1.97 H new ATOM 0 HG21 VAL A 52 -3.666 -2.936 2.470 1.00 1.65 H new ATOM 0 HG22 VAL A 52 -5.393 -3.361 2.426 1.00 1.65 H new ATOM 0 HG23 VAL A 52 -4.179 -4.505 1.805 1.00 1.65 H new ATOM 825 N ASP A 53 -6.438 -2.106 -2.087 1.00 0.99 N ATOM 826 CA ASP A 53 -6.485 -1.553 -3.471 1.00 1.03 C ATOM 827 C ASP A 53 -6.282 -0.038 -3.382 1.00 1.00 C ATOM 828 O ASP A 53 -7.134 0.663 -2.852 1.00 1.10 O ATOM 829 CB ASP A 53 -7.867 -1.892 -4.044 1.00 1.26 C ATOM 830 CG ASP A 53 -7.836 -1.846 -5.565 1.00 1.71 C ATOM 831 OD1 ASP A 53 -7.843 -0.736 -6.058 1.00 2.89 O ATOM 832 OD2 ASP A 53 -7.874 -2.916 -6.151 1.00 2.67 O ATOM 0 H ASP A 53 -7.115 -1.699 -1.441 1.00 0.99 H new ATOM 0 HA ASP A 53 -5.711 -1.971 -4.115 1.00 1.03 H new ATOM 0 HB2 ASP A 53 -8.173 -2.883 -3.710 1.00 1.26 H new ATOM 0 HB3 ASP A 53 -8.607 -1.186 -3.667 1.00 1.26 H new ATOM 837 N PHE A 54 -5.168 0.447 -3.869 1.00 1.04 N ATOM 838 CA PHE A 54 -4.914 1.915 -3.779 1.00 1.12 C ATOM 839 C PHE A 54 -4.266 2.440 -5.063 1.00 1.25 C ATOM 840 O PHE A 54 -4.021 1.693 -6.001 1.00 1.74 O ATOM 841 CB PHE A 54 -4.010 2.152 -2.560 1.00 1.62 C ATOM 842 CG PHE A 54 -2.541 1.907 -2.902 1.00 0.92 C ATOM 843 CD1 PHE A 54 -2.040 0.621 -2.978 1.00 1.44 C ATOM 844 CD2 PHE A 54 -1.688 2.979 -3.096 1.00 1.32 C ATOM 845 CE1 PHE A 54 -0.704 0.409 -3.232 1.00 1.98 C ATOM 846 CE2 PHE A 54 -0.351 2.767 -3.348 1.00 1.76 C ATOM 847 CZ PHE A 54 0.142 1.481 -3.414 1.00 2.01 C ATOM 0 H PHE A 54 -4.434 -0.101 -4.318 1.00 1.04 H new ATOM 0 HA PHE A 54 -5.852 2.457 -3.662 1.00 1.12 H new ATOM 0 HB2 PHE A 54 -4.137 3.174 -2.204 1.00 1.62 H new ATOM 0 HB3 PHE A 54 -4.311 1.491 -1.747 1.00 1.62 H new ATOM 0 HD1 PHE A 54 -2.700 -0.222 -2.837 1.00 1.44 H new ATOM 0 HD2 PHE A 54 -2.073 3.987 -3.050 1.00 1.32 H new ATOM 0 HE1 PHE A 54 -0.319 -0.598 -3.289 1.00 1.98 H new ATOM 0 HE2 PHE A 54 0.311 3.608 -3.494 1.00 1.76 H new ATOM 0 HZ PHE A 54 1.191 1.314 -3.608 1.00 2.01 H new ATOM 857 N ARG A 55 -4.030 3.722 -5.117 1.00 1.34 N ATOM 858 CA ARG A 55 -3.391 4.286 -6.343 1.00 1.79 C ATOM 859 C ARG A 55 -2.343 5.328 -5.955 1.00 1.98 C ATOM 860 O ARG A 55 -2.293 5.767 -4.812 1.00 2.38 O ATOM 861 CB ARG A 55 -4.451 4.928 -7.261 1.00 2.16 C ATOM 862 CG ARG A 55 -5.876 4.729 -6.712 1.00 2.90 C ATOM 863 CD ARG A 55 -6.887 5.278 -7.732 1.00 3.66 C ATOM 864 NE ARG A 55 -6.507 6.685 -8.064 1.00 3.78 N ATOM 865 CZ ARG A 55 -6.296 7.050 -9.298 1.00 4.75 C ATOM 866 NH1 ARG A 55 -5.276 6.552 -9.931 1.00 5.70 N ATOM 867 NH2 ARG A 55 -7.108 7.909 -9.842 1.00 5.53 N ATOM 0 H ARG A 55 -4.247 4.394 -4.381 1.00 1.34 H new ATOM 0 HA ARG A 55 -2.907 3.473 -6.884 1.00 1.79 H new ATOM 0 HB2 ARG A 55 -4.246 5.994 -7.364 1.00 2.16 H new ATOM 0 HB3 ARG A 55 -4.381 4.493 -8.258 1.00 2.16 H new ATOM 0 HG2 ARG A 55 -6.064 3.671 -6.528 1.00 2.90 H new ATOM 0 HG3 ARG A 55 -5.987 5.244 -5.758 1.00 2.90 H new ATOM 0 HD2 ARG A 55 -6.889 4.663 -8.632 1.00 3.66 H new ATOM 0 HD3 ARG A 55 -7.896 5.245 -7.321 1.00 3.66 H new ATOM 0 HE ARG A 55 -6.411 7.370 -7.314 1.00 3.78 H new ATOM 0 HH11 ARG A 55 -4.659 5.889 -9.462 1.00 5.70 H new ATOM 0 HH12 ARG A 55 -5.093 6.824 -10.897 1.00 5.70 H new ATOM 0 HH21 ARG A 55 -7.890 8.283 -9.304 1.00 5.53 H new ATOM 0 HH22 ARG A 55 -6.962 8.209 -10.806 1.00 5.53 H new ATOM 881 N VAL A 56 -1.538 5.700 -6.913 1.00 2.40 N ATOM 882 CA VAL A 56 -0.493 6.718 -6.637 1.00 3.11 C ATOM 883 C VAL A 56 -0.753 7.947 -7.519 1.00 2.54 C ATOM 884 O VAL A 56 0.173 8.473 -8.087 1.00 3.57 O ATOM 885 CB VAL A 56 0.898 6.136 -6.977 1.00 4.36 C ATOM 886 CG1 VAL A 56 1.974 6.938 -6.230 1.00 5.88 C ATOM 887 CG2 VAL A 56 0.993 4.654 -6.601 1.00 5.41 C ATOM 0 H VAL A 56 -1.561 5.344 -7.868 1.00 2.40 H new ATOM 0 HA VAL A 56 -0.522 6.999 -5.584 1.00 3.11 H new ATOM 0 HB VAL A 56 1.053 6.214 -8.053 1.00 4.36 H new ATOM 0 HG11 VAL A 56 2.958 6.533 -6.465 1.00 5.88 H new ATOM 0 HG12 VAL A 56 1.928 7.983 -6.538 1.00 5.88 H new ATOM 0 HG13 VAL A 56 1.800 6.868 -5.156 1.00 5.88 H new ATOM 0 HG21 VAL A 56 1.984 4.277 -6.854 1.00 5.41 H new ATOM 0 HG22 VAL A 56 0.823 4.539 -5.531 1.00 5.41 H new ATOM 0 HG23 VAL A 56 0.239 4.090 -7.151 1.00 5.41 H new ATOM 897 N LYS A 57 -2.001 8.369 -7.597 1.00 2.15 N ATOM 898 CA LYS A 57 -2.401 9.569 -8.432 1.00 2.23 C ATOM 899 C LYS A 57 -1.196 10.409 -8.936 1.00 2.62 C ATOM 900 O LYS A 57 -0.949 11.495 -8.456 1.00 4.14 O ATOM 901 CB LYS A 57 -3.389 10.446 -7.616 1.00 3.20 C ATOM 902 CG LYS A 57 -2.845 10.817 -6.218 1.00 3.42 C ATOM 903 CD LYS A 57 -3.887 11.696 -5.487 1.00 4.22 C ATOM 904 CE LYS A 57 -3.302 12.274 -4.182 1.00 4.98 C ATOM 905 NZ LYS A 57 -2.951 11.187 -3.222 1.00 6.08 N ATOM 0 H LYS A 57 -2.778 7.925 -7.108 1.00 2.15 H new ATOM 0 HA LYS A 57 -2.885 9.193 -9.333 1.00 2.23 H new ATOM 0 HB2 LYS A 57 -3.602 11.359 -8.172 1.00 3.20 H new ATOM 0 HB3 LYS A 57 -4.333 9.913 -7.504 1.00 3.20 H new ATOM 0 HG2 LYS A 57 -2.643 9.914 -5.641 1.00 3.42 H new ATOM 0 HG3 LYS A 57 -1.900 11.353 -6.312 1.00 3.42 H new ATOM 0 HD2 LYS A 57 -4.204 12.509 -6.140 1.00 4.22 H new ATOM 0 HD3 LYS A 57 -4.774 11.104 -5.262 1.00 4.22 H new ATOM 0 HE2 LYS A 57 -2.414 12.864 -4.408 1.00 4.98 H new ATOM 0 HE3 LYS A 57 -4.025 12.949 -3.723 1.00 4.98 H new ATOM 0 HZ1 LYS A 57 -2.672 11.605 -2.311 1.00 6.08 H new ATOM 0 HZ2 LYS A 57 -3.775 10.569 -3.081 1.00 6.08 H new ATOM 0 HZ3 LYS A 57 -2.161 10.629 -3.603 1.00 6.08 H new ATOM 919 N ALA A 58 -0.504 9.872 -9.936 1.00 2.05 N ATOM 920 CA ALA A 58 0.706 10.545 -10.538 1.00 2.35 C ATOM 921 C ALA A 58 1.440 11.393 -9.514 1.00 2.88 C ATOM 922 O ALA A 58 1.779 12.542 -9.712 1.00 3.90 O ATOM 923 CB ALA A 58 0.236 11.436 -11.641 1.00 2.76 C ATOM 0 H ALA A 58 -0.737 8.976 -10.365 1.00 2.05 H new ATOM 0 HA ALA A 58 1.391 9.778 -10.900 1.00 2.35 H new ATOM 0 HB1 ALA A 58 1.092 11.936 -12.095 1.00 2.76 H new ATOM 0 HB2 ALA A 58 -0.278 10.841 -12.395 1.00 2.76 H new ATOM 0 HB3 ALA A 58 -0.449 12.182 -11.239 1.00 2.76 H new ATOM 929 N GLU A 59 1.659 10.728 -8.461 1.00 3.12 N ATOM 930 CA GLU A 59 2.372 11.284 -7.278 1.00 3.83 C ATOM 931 C GLU A 59 3.738 10.602 -7.157 1.00 2.90 C ATOM 932 O GLU A 59 3.920 9.688 -6.370 1.00 4.13 O ATOM 933 CB GLU A 59 1.541 11.018 -6.013 1.00 4.99 C ATOM 934 CG GLU A 59 0.651 12.231 -5.674 1.00 5.08 C ATOM 935 CD GLU A 59 -0.085 11.958 -4.354 1.00 6.36 C ATOM 936 OE1 GLU A 59 -0.572 10.853 -4.221 1.00 7.05 O ATOM 937 OE2 GLU A 59 -0.132 12.870 -3.543 1.00 7.10 O ATOM 0 H GLU A 59 1.363 9.759 -8.342 1.00 3.12 H new ATOM 0 HA GLU A 59 2.510 12.359 -7.395 1.00 3.83 H new ATOM 0 HB2 GLU A 59 0.919 10.135 -6.161 1.00 4.99 H new ATOM 0 HB3 GLU A 59 2.205 10.804 -5.175 1.00 4.99 H new ATOM 0 HG2 GLU A 59 1.259 13.131 -5.587 1.00 5.08 H new ATOM 0 HG3 GLU A 59 -0.066 12.407 -6.476 1.00 5.08 H new ATOM 944 N ASP A 60 4.643 11.052 -7.981 1.00 1.71 N ATOM 945 CA ASP A 60 6.044 10.507 -8.001 1.00 2.07 C ATOM 946 C ASP A 60 6.005 8.984 -8.162 1.00 1.84 C ATOM 947 O ASP A 60 6.923 8.279 -7.770 1.00 2.48 O ATOM 948 CB ASP A 60 6.755 10.864 -6.681 1.00 3.21 C ATOM 949 CG ASP A 60 6.438 12.297 -6.239 1.00 4.48 C ATOM 950 OD1 ASP A 60 5.968 13.068 -7.057 1.00 5.37 O ATOM 951 OD2 ASP A 60 6.632 12.540 -5.067 1.00 5.31 O ATOM 0 H ASP A 60 4.472 11.793 -8.661 1.00 1.71 H new ATOM 0 HA ASP A 60 6.587 10.945 -8.838 1.00 2.07 H new ATOM 0 HB2 ASP A 60 6.449 10.166 -5.902 1.00 3.21 H new ATOM 0 HB3 ASP A 60 7.832 10.751 -6.805 1.00 3.21 H new ATOM 956 N ILE A 61 4.924 8.561 -8.767 1.00 1.28 N ATOM 957 CA ILE A 61 4.636 7.123 -9.045 1.00 1.23 C ATOM 958 C ILE A 61 5.765 6.156 -8.647 1.00 1.02 C ATOM 959 O ILE A 61 5.583 5.347 -7.761 1.00 1.52 O ATOM 960 CB ILE A 61 4.333 7.025 -10.556 1.00 1.49 C ATOM 961 CG1 ILE A 61 3.011 7.713 -10.930 1.00 1.94 C ATOM 962 CG2 ILE A 61 4.307 5.559 -11.001 1.00 1.79 C ATOM 963 CD1 ILE A 61 1.864 7.236 -10.044 1.00 2.66 C ATOM 0 H ILE A 61 4.192 9.191 -9.096 1.00 1.28 H new ATOM 0 HA ILE A 61 3.793 6.810 -8.429 1.00 1.23 H new ATOM 0 HB ILE A 61 5.134 7.549 -11.079 1.00 1.49 H new ATOM 0 HG12 ILE A 61 3.122 8.793 -10.834 1.00 1.94 H new ATOM 0 HG13 ILE A 61 2.775 7.508 -11.974 1.00 1.94 H new ATOM 0 HG21 ILE A 61 4.092 5.507 -12.068 1.00 1.79 H new ATOM 0 HG22 ILE A 61 5.276 5.101 -10.803 1.00 1.79 H new ATOM 0 HG23 ILE A 61 3.534 5.025 -10.449 1.00 1.79 H new ATOM 0 HD11 ILE A 61 0.944 7.743 -10.336 1.00 2.66 H new ATOM 0 HD12 ILE A 61 1.738 6.160 -10.160 1.00 2.66 H new ATOM 0 HD13 ILE A 61 2.090 7.465 -9.002 1.00 2.66 H new ATOM 975 N LEU A 62 6.866 6.249 -9.334 1.00 1.03 N ATOM 976 CA LEU A 62 8.029 5.351 -9.063 1.00 1.01 C ATOM 977 C LEU A 62 8.225 5.017 -7.576 1.00 0.99 C ATOM 978 O LEU A 62 8.342 3.864 -7.217 1.00 1.31 O ATOM 979 CB LEU A 62 9.292 6.033 -9.595 1.00 1.23 C ATOM 980 CG LEU A 62 10.499 5.100 -9.438 1.00 2.38 C ATOM 981 CD1 LEU A 62 10.449 4.010 -10.517 1.00 3.29 C ATOM 982 CD2 LEU A 62 11.786 5.921 -9.578 1.00 3.11 C ATOM 0 H LEU A 62 7.015 6.921 -10.087 1.00 1.03 H new ATOM 0 HA LEU A 62 7.830 4.404 -9.564 1.00 1.01 H new ATOM 0 HB2 LEU A 62 9.159 6.295 -10.645 1.00 1.23 H new ATOM 0 HB3 LEU A 62 9.468 6.963 -9.054 1.00 1.23 H new ATOM 0 HG LEU A 62 10.477 4.626 -8.457 1.00 2.38 H new ATOM 0 HD11 LEU A 62 11.307 3.347 -10.405 1.00 3.29 H new ATOM 0 HD12 LEU A 62 9.530 3.434 -10.410 1.00 3.29 H new ATOM 0 HD13 LEU A 62 10.475 4.473 -11.503 1.00 3.29 H new ATOM 0 HD21 LEU A 62 12.650 5.265 -9.468 1.00 3.11 H new ATOM 0 HD22 LEU A 62 11.812 6.393 -10.560 1.00 3.11 H new ATOM 0 HD23 LEU A 62 11.813 6.690 -8.806 1.00 3.11 H new ATOM 994 N ALA A 63 8.240 6.029 -6.749 1.00 0.94 N ATOM 995 CA ALA A 63 8.472 5.805 -5.285 1.00 0.99 C ATOM 996 C ALA A 63 7.554 4.739 -4.686 1.00 0.90 C ATOM 997 O ALA A 63 7.899 4.132 -3.696 1.00 1.08 O ATOM 998 CB ALA A 63 8.277 7.128 -4.536 1.00 1.22 C ATOM 0 H ALA A 63 8.102 7.002 -7.021 1.00 0.94 H new ATOM 0 HA ALA A 63 9.493 5.440 -5.174 1.00 0.99 H new ATOM 0 HB1 ALA A 63 8.445 6.971 -3.470 1.00 1.22 H new ATOM 0 HB2 ALA A 63 8.987 7.866 -4.910 1.00 1.22 H new ATOM 0 HB3 ALA A 63 7.261 7.489 -4.694 1.00 1.22 H new ATOM 1004 N VAL A 64 6.404 4.549 -5.264 1.00 0.90 N ATOM 1005 CA VAL A 64 5.491 3.504 -4.718 1.00 0.89 C ATOM 1006 C VAL A 64 5.867 2.176 -5.367 1.00 0.87 C ATOM 1007 O VAL A 64 5.948 1.157 -4.689 1.00 1.00 O ATOM 1008 CB VAL A 64 4.034 3.868 -5.023 1.00 0.92 C ATOM 1009 CG1 VAL A 64 3.128 2.656 -4.757 1.00 1.30 C ATOM 1010 CG2 VAL A 64 3.613 5.008 -4.094 1.00 1.27 C ATOM 0 H VAL A 64 6.058 5.060 -6.076 1.00 0.90 H new ATOM 0 HA VAL A 64 5.592 3.430 -3.635 1.00 0.89 H new ATOM 0 HB VAL A 64 3.942 4.168 -6.067 1.00 0.92 H new ATOM 0 HG11 VAL A 64 2.093 2.920 -4.975 1.00 1.30 H new ATOM 0 HG12 VAL A 64 3.433 1.827 -5.395 1.00 1.30 H new ATOM 0 HG13 VAL A 64 3.214 2.360 -3.711 1.00 1.30 H new ATOM 0 HG21 VAL A 64 2.577 5.280 -4.298 1.00 1.27 H new ATOM 0 HG22 VAL A 64 3.706 4.685 -3.057 1.00 1.27 H new ATOM 0 HG23 VAL A 64 4.255 5.872 -4.264 1.00 1.27 H new ATOM 1020 N GLU A 65 6.064 2.215 -6.666 1.00 0.84 N ATOM 1021 CA GLU A 65 6.472 0.961 -7.376 1.00 0.97 C ATOM 1022 C GLU A 65 7.644 0.410 -6.537 1.00 0.91 C ATOM 1023 O GLU A 65 7.693 -0.760 -6.163 1.00 1.06 O ATOM 1024 CB GLU A 65 6.886 1.317 -8.828 1.00 1.03 C ATOM 1025 CG GLU A 65 5.828 2.270 -9.451 1.00 1.43 C ATOM 1026 CD GLU A 65 6.025 2.427 -10.972 1.00 2.12 C ATOM 1027 OE1 GLU A 65 5.520 1.566 -11.682 1.00 2.58 O ATOM 1028 OE2 GLU A 65 6.622 3.422 -11.355 1.00 3.34 O ATOM 0 H GLU A 65 5.962 3.043 -7.253 1.00 0.84 H new ATOM 0 HA GLU A 65 5.681 0.216 -7.462 1.00 0.97 H new ATOM 0 HB2 GLU A 65 7.866 1.793 -8.831 1.00 1.03 H new ATOM 0 HB3 GLU A 65 6.970 0.410 -9.426 1.00 1.03 H new ATOM 0 HG2 GLU A 65 4.828 1.884 -9.252 1.00 1.43 H new ATOM 0 HG3 GLU A 65 5.893 3.248 -8.973 1.00 1.43 H new ATOM 1035 N ASP A 66 8.490 1.352 -6.182 1.00 0.78 N ATOM 1036 CA ASP A 66 9.675 1.077 -5.329 1.00 0.80 C ATOM 1037 C ASP A 66 9.181 0.626 -3.957 1.00 0.84 C ATOM 1038 O ASP A 66 9.330 -0.516 -3.607 1.00 1.03 O ATOM 1039 CB ASP A 66 10.463 2.396 -5.167 1.00 0.84 C ATOM 1040 CG ASP A 66 11.344 2.329 -3.921 1.00 1.55 C ATOM 1041 OD1 ASP A 66 12.341 1.637 -3.980 1.00 1.99 O ATOM 1042 OD2 ASP A 66 10.937 2.945 -2.954 1.00 2.73 O ATOM 0 H ASP A 66 8.397 2.328 -6.462 1.00 0.78 H new ATOM 0 HA ASP A 66 10.307 0.308 -5.773 1.00 0.80 H new ATOM 0 HB2 ASP A 66 11.079 2.572 -6.049 1.00 0.84 H new ATOM 0 HB3 ASP A 66 9.772 3.235 -5.089 1.00 0.84 H new ATOM 1047 N PHE A 67 8.611 1.558 -3.228 1.00 0.73 N ATOM 1048 CA PHE A 67 8.074 1.262 -1.860 1.00 0.84 C ATOM 1049 C PHE A 67 7.607 -0.187 -1.743 1.00 0.75 C ATOM 1050 O PHE A 67 7.987 -0.889 -0.817 1.00 0.84 O ATOM 1051 CB PHE A 67 6.896 2.199 -1.539 1.00 0.98 C ATOM 1052 CG PHE A 67 6.537 2.059 -0.048 1.00 1.05 C ATOM 1053 CD1 PHE A 67 5.859 0.942 0.409 1.00 0.76 C ATOM 1054 CD2 PHE A 67 6.969 3.002 0.869 1.00 1.58 C ATOM 1055 CE1 PHE A 67 5.632 0.765 1.759 1.00 0.79 C ATOM 1056 CE2 PHE A 67 6.740 2.824 2.218 1.00 1.65 C ATOM 1057 CZ PHE A 67 6.073 1.702 2.661 1.00 1.17 C ATOM 0 H PHE A 67 8.494 2.526 -3.528 1.00 0.73 H new ATOM 0 HA PHE A 67 8.883 1.424 -1.148 1.00 0.84 H new ATOM 0 HB2 PHE A 67 7.163 3.231 -1.767 1.00 0.98 H new ATOM 0 HB3 PHE A 67 6.035 1.948 -2.159 1.00 0.98 H new ATOM 0 HD1 PHE A 67 5.505 0.204 -0.296 1.00 0.76 H new ATOM 0 HD2 PHE A 67 7.489 3.884 0.526 1.00 1.58 H new ATOM 0 HE1 PHE A 67 5.107 -0.112 2.107 1.00 0.79 H new ATOM 0 HE2 PHE A 67 7.083 3.563 2.926 1.00 1.65 H new ATOM 0 HZ PHE A 67 5.897 1.560 3.717 1.00 1.17 H new ATOM 1067 N LEU A 68 6.802 -0.612 -2.688 1.00 0.70 N ATOM 1068 CA LEU A 68 6.300 -2.008 -2.633 1.00 0.69 C ATOM 1069 C LEU A 68 7.433 -2.980 -2.955 1.00 0.70 C ATOM 1070 O LEU A 68 7.839 -3.756 -2.100 1.00 1.06 O ATOM 1071 CB LEU A 68 5.159 -2.189 -3.652 1.00 0.81 C ATOM 1072 CG LEU A 68 3.950 -1.331 -3.250 1.00 0.95 C ATOM 1073 CD1 LEU A 68 2.951 -1.272 -4.412 1.00 1.09 C ATOM 1074 CD2 LEU A 68 3.257 -1.963 -2.037 1.00 1.11 C ATOM 0 H LEU A 68 6.479 -0.057 -3.481 1.00 0.70 H new ATOM 0 HA LEU A 68 5.926 -2.214 -1.630 1.00 0.69 H new ATOM 0 HB2 LEU A 68 5.501 -1.905 -4.647 1.00 0.81 H new ATOM 0 HB3 LEU A 68 4.869 -3.239 -3.702 1.00 0.81 H new ATOM 0 HG LEU A 68 4.291 -0.325 -3.004 1.00 0.95 H new ATOM 0 HD11 LEU A 68 2.094 -0.663 -4.125 1.00 1.09 H new ATOM 0 HD12 LEU A 68 3.433 -0.831 -5.284 1.00 1.09 H new ATOM 0 HD13 LEU A 68 2.615 -2.280 -4.654 1.00 1.09 H new ATOM 0 HD21 LEU A 68 2.399 -1.355 -1.751 1.00 1.11 H new ATOM 0 HD22 LEU A 68 2.921 -2.968 -2.293 1.00 1.11 H new ATOM 0 HD23 LEU A 68 3.958 -2.016 -1.204 1.00 1.11 H new ATOM 1086 N GLU A 69 7.886 -2.937 -4.187 1.00 1.02 N ATOM 1087 CA GLU A 69 8.993 -3.840 -4.630 1.00 1.01 C ATOM 1088 C GLU A 69 10.123 -3.857 -3.596 1.00 0.99 C ATOM 1089 O GLU A 69 10.464 -4.892 -3.043 1.00 1.01 O ATOM 1090 CB GLU A 69 9.496 -3.327 -5.991 1.00 1.17 C ATOM 1091 CG GLU A 69 8.618 -3.937 -7.101 1.00 2.25 C ATOM 1092 CD GLU A 69 9.049 -3.441 -8.486 1.00 2.60 C ATOM 1093 OE1 GLU A 69 10.224 -3.588 -8.785 1.00 2.77 O ATOM 1094 OE2 GLU A 69 8.158 -2.989 -9.191 1.00 3.85 O ATOM 0 H GLU A 69 7.532 -2.309 -4.909 1.00 1.02 H new ATOM 0 HA GLU A 69 8.634 -4.865 -4.726 1.00 1.01 H new ATOM 0 HB2 GLU A 69 9.448 -2.239 -6.026 1.00 1.17 H new ATOM 0 HB3 GLU A 69 10.540 -3.605 -6.138 1.00 1.17 H new ATOM 0 HG2 GLU A 69 8.685 -5.024 -7.064 1.00 2.25 H new ATOM 0 HG3 GLU A 69 7.574 -3.676 -6.927 1.00 2.25 H new ATOM 1101 N GLN A 70 10.671 -2.698 -3.392 1.00 1.09 N ATOM 1102 CA GLN A 70 11.779 -2.504 -2.413 1.00 1.22 C ATOM 1103 C GLN A 70 11.661 -3.425 -1.192 1.00 1.17 C ATOM 1104 O GLN A 70 12.654 -3.973 -0.757 1.00 1.33 O ATOM 1105 CB GLN A 70 11.762 -1.039 -1.949 1.00 1.50 C ATOM 1106 CG GLN A 70 12.956 -0.765 -1.021 1.00 1.71 C ATOM 1107 CD GLN A 70 12.966 0.695 -0.551 1.00 2.45 C ATOM 1108 OE1 GLN A 70 13.623 1.022 0.407 1.00 3.01 O ATOM 1109 NE2 GLN A 70 12.295 1.604 -1.184 1.00 2.89 N ATOM 0 H GLN A 70 10.390 -1.846 -3.878 1.00 1.09 H new ATOM 0 HA GLN A 70 12.716 -2.755 -2.911 1.00 1.22 H new ATOM 0 HB2 GLN A 70 11.803 -0.375 -2.813 1.00 1.50 H new ATOM 0 HB3 GLN A 70 10.829 -0.826 -1.427 1.00 1.50 H new ATOM 0 HG2 GLN A 70 12.909 -1.428 -0.157 1.00 1.71 H new ATOM 0 HG3 GLN A 70 13.886 -0.988 -1.544 1.00 1.71 H new ATOM 0 HE21 GLN A 70 11.733 1.350 -1.996 1.00 2.89 H new ATOM 0 HE22 GLN A 70 12.329 2.574 -0.870 1.00 2.89 H new ATOM 1118 N ASN A 71 10.470 -3.565 -0.655 1.00 1.04 N ATOM 1119 CA ASN A 71 10.304 -4.414 0.554 1.00 1.07 C ATOM 1120 C ASN A 71 9.349 -5.580 0.295 1.00 0.99 C ATOM 1121 O ASN A 71 8.529 -5.890 1.136 1.00 1.19 O ATOM 1122 CB ASN A 71 9.730 -3.503 1.630 1.00 1.12 C ATOM 1123 CG ASN A 71 10.531 -2.207 1.677 1.00 1.61 C ATOM 1124 OD1 ASN A 71 11.655 -2.176 2.142 1.00 2.82 O ATOM 1125 ND2 ASN A 71 9.997 -1.133 1.157 1.00 1.61 N ATOM 0 H ASN A 71 9.616 -3.129 -1.003 1.00 1.04 H new ATOM 0 HA ASN A 71 11.258 -4.850 0.850 1.00 1.07 H new ATOM 0 HB2 ASN A 71 8.682 -3.288 1.419 1.00 1.12 H new ATOM 0 HB3 ASN A 71 9.765 -4.000 2.599 1.00 1.12 H new ATOM 0 HD21 ASN A 71 10.523 -0.259 1.139 1.00 1.61 H new ATOM 0 HD22 ASN A 71 9.054 -1.169 0.770 1.00 1.61 H new ATOM 1132 N GLU A 72 9.518 -6.211 -0.844 1.00 1.07 N ATOM 1133 CA GLU A 72 8.644 -7.366 -1.246 1.00 1.18 C ATOM 1134 C GLU A 72 7.248 -7.244 -0.607 1.00 1.01 C ATOM 1135 O GLU A 72 6.760 -8.150 0.037 1.00 1.36 O ATOM 1136 CB GLU A 72 9.309 -8.684 -0.812 1.00 1.56 C ATOM 1137 CG GLU A 72 8.757 -9.844 -1.663 1.00 2.72 C ATOM 1138 CD GLU A 72 9.189 -11.187 -1.059 1.00 3.78 C ATOM 1139 OE1 GLU A 72 8.748 -11.436 0.050 1.00 4.91 O ATOM 1140 OE2 GLU A 72 9.916 -11.892 -1.741 1.00 4.20 O ATOM 0 H GLU A 72 10.238 -5.971 -1.526 1.00 1.07 H new ATOM 0 HA GLU A 72 8.524 -7.356 -2.329 1.00 1.18 H new ATOM 0 HB2 GLU A 72 10.390 -8.614 -0.931 1.00 1.56 H new ATOM 0 HB3 GLU A 72 9.116 -8.870 0.244 1.00 1.56 H new ATOM 0 HG2 GLU A 72 7.669 -9.788 -1.707 1.00 2.72 H new ATOM 0 HG3 GLU A 72 9.122 -9.761 -2.687 1.00 2.72 H new ATOM 1147 N LEU A 73 6.627 -6.125 -0.836 1.00 0.78 N ATOM 1148 CA LEU A 73 5.272 -5.894 -0.268 1.00 0.78 C ATOM 1149 C LEU A 73 4.258 -6.553 -1.195 1.00 0.93 C ATOM 1150 O LEU A 73 3.497 -5.876 -1.861 1.00 1.87 O ATOM 1151 CB LEU A 73 5.060 -4.373 -0.180 1.00 0.85 C ATOM 1152 CG LEU A 73 4.784 -3.946 1.264 1.00 0.99 C ATOM 1153 CD1 LEU A 73 5.961 -4.328 2.166 1.00 1.59 C ATOM 1154 CD2 LEU A 73 4.603 -2.428 1.318 1.00 1.96 C ATOM 0 H LEU A 73 7.000 -5.357 -1.394 1.00 0.78 H new ATOM 0 HA LEU A 73 5.157 -6.322 0.728 1.00 0.78 H new ATOM 0 HB2 LEU A 73 5.943 -3.856 -0.555 1.00 0.85 H new ATOM 0 HB3 LEU A 73 4.225 -4.080 -0.817 1.00 0.85 H new ATOM 0 HG LEU A 73 3.882 -4.450 1.610 1.00 0.99 H new ATOM 0 HD11 LEU A 73 5.750 -4.018 3.190 1.00 1.59 H new ATOM 0 HD12 LEU A 73 6.107 -5.408 2.136 1.00 1.59 H new ATOM 0 HD13 LEU A 73 6.865 -3.830 1.815 1.00 1.59 H new ATOM 0 HD21 LEU A 73 4.406 -2.121 2.345 1.00 1.96 H new ATOM 0 HD22 LEU A 73 5.510 -1.940 0.961 1.00 1.96 H new ATOM 0 HD23 LEU A 73 3.763 -2.139 0.686 1.00 1.96 H new ATOM 1166 N GLN A 74 4.355 -7.868 -1.246 1.00 0.85 N ATOM 1167 CA GLN A 74 3.468 -8.736 -2.103 1.00 0.99 C ATOM 1168 C GLN A 74 2.370 -7.943 -2.820 1.00 0.97 C ATOM 1169 O GLN A 74 1.227 -7.961 -2.404 1.00 1.23 O ATOM 1170 CB GLN A 74 2.796 -9.835 -1.249 1.00 1.21 C ATOM 1171 CG GLN A 74 3.842 -10.604 -0.419 1.00 1.66 C ATOM 1172 CD GLN A 74 4.111 -9.896 0.915 1.00 2.83 C ATOM 1173 OE1 GLN A 74 4.848 -10.371 1.745 1.00 4.12 O ATOM 1174 NE2 GLN A 74 3.535 -8.764 1.175 1.00 3.79 N ATOM 0 H GLN A 74 5.041 -8.395 -0.706 1.00 0.85 H new ATOM 0 HA GLN A 74 4.119 -9.177 -2.858 1.00 0.99 H new ATOM 0 HB2 GLN A 74 2.059 -9.385 -0.585 1.00 1.21 H new ATOM 0 HB3 GLN A 74 2.260 -10.528 -1.897 1.00 1.21 H new ATOM 0 HG2 GLN A 74 3.490 -11.618 -0.232 1.00 1.66 H new ATOM 0 HG3 GLN A 74 4.770 -10.688 -0.984 1.00 1.66 H new ATOM 0 HE21 GLN A 74 2.908 -8.342 0.490 1.00 3.79 H new ATOM 0 HE22 GLN A 74 3.709 -8.296 2.064 1.00 3.79 H new ATOM 1183 N TYR A 75 2.735 -7.278 -3.888 1.00 0.99 N ATOM 1184 CA TYR A 75 1.731 -6.477 -4.652 1.00 1.01 C ATOM 1185 C TYR A 75 1.586 -7.024 -6.072 1.00 1.09 C ATOM 1186 O TYR A 75 2.305 -7.921 -6.479 1.00 1.13 O ATOM 1187 CB TYR A 75 2.210 -5.016 -4.737 1.00 1.01 C ATOM 1188 CG TYR A 75 3.346 -4.915 -5.768 1.00 1.03 C ATOM 1189 CD1 TYR A 75 4.646 -5.218 -5.412 1.00 1.12 C ATOM 1190 CD2 TYR A 75 3.066 -4.631 -7.095 1.00 1.28 C ATOM 1191 CE1 TYR A 75 5.642 -5.251 -6.367 1.00 1.36 C ATOM 1192 CE2 TYR A 75 4.064 -4.663 -8.043 1.00 1.51 C ATOM 1193 CZ TYR A 75 5.356 -4.980 -7.692 1.00 1.53 C ATOM 1194 OH TYR A 75 6.329 -5.083 -8.663 1.00 1.90 O ATOM 0 H TYR A 75 3.683 -7.255 -4.263 1.00 0.99 H new ATOM 0 HA TYR A 75 0.770 -6.536 -4.140 1.00 1.01 H new ATOM 0 HB2 TYR A 75 1.383 -4.366 -5.024 1.00 1.01 H new ATOM 0 HB3 TYR A 75 2.558 -4.677 -3.761 1.00 1.01 H new ATOM 0 HD1 TYR A 75 4.884 -5.430 -4.380 1.00 1.12 H new ATOM 0 HD2 TYR A 75 2.057 -4.383 -7.388 1.00 1.28 H new ATOM 0 HE1 TYR A 75 6.654 -5.491 -6.076 1.00 1.36 H new ATOM 0 HE2 TYR A 75 3.830 -4.437 -9.073 1.00 1.51 H new ATOM 0 HH TYR A 75 5.946 -4.856 -9.536 1.00 1.90 H new ATOM 1204 N GLU A 76 0.662 -6.441 -6.785 1.00 1.23 N ATOM 1205 CA GLU A 76 0.404 -6.833 -8.198 1.00 1.43 C ATOM 1206 C GLU A 76 -0.449 -5.728 -8.835 1.00 1.28 C ATOM 1207 O GLU A 76 -0.868 -4.812 -8.131 1.00 1.39 O ATOM 1208 CB GLU A 76 -0.316 -8.184 -8.232 1.00 1.81 C ATOM 1209 CG GLU A 76 -1.428 -8.198 -7.178 1.00 1.70 C ATOM 1210 CD GLU A 76 -2.730 -8.664 -7.819 1.00 2.13 C ATOM 1211 OE1 GLU A 76 -3.177 -7.958 -8.712 1.00 3.18 O ATOM 1212 OE2 GLU A 76 -3.238 -9.673 -7.356 1.00 2.70 O ATOM 0 H GLU A 76 0.062 -5.692 -6.438 1.00 1.23 H new ATOM 0 HA GLU A 76 1.334 -6.943 -8.756 1.00 1.43 H new ATOM 0 HB2 GLU A 76 -0.737 -8.359 -9.222 1.00 1.81 H new ATOM 0 HB3 GLU A 76 0.392 -8.990 -8.040 1.00 1.81 H new ATOM 0 HG2 GLU A 76 -1.157 -8.861 -6.357 1.00 1.70 H new ATOM 0 HG3 GLU A 76 -1.555 -7.202 -6.755 1.00 1.70 H new ATOM 1219 N VAL A 77 -0.716 -5.834 -10.117 1.00 1.32 N ATOM 1220 CA VAL A 77 -1.522 -4.765 -10.787 1.00 1.51 C ATOM 1221 C VAL A 77 -2.870 -5.293 -11.324 1.00 1.84 C ATOM 1222 O VAL A 77 -3.192 -5.070 -12.477 1.00 2.56 O ATOM 1223 CB VAL A 77 -0.686 -4.184 -11.951 1.00 1.77 C ATOM 1224 CG1 VAL A 77 -1.256 -2.817 -12.374 1.00 2.16 C ATOM 1225 CG2 VAL A 77 0.778 -4.000 -11.521 1.00 1.95 C ATOM 0 H VAL A 77 -0.416 -6.601 -10.719 1.00 1.32 H new ATOM 0 HA VAL A 77 -1.755 -3.997 -10.050 1.00 1.51 H new ATOM 0 HB VAL A 77 -0.732 -4.881 -12.788 1.00 1.77 H new ATOM 0 HG11 VAL A 77 -0.662 -2.413 -13.194 1.00 2.16 H new ATOM 0 HG12 VAL A 77 -2.289 -2.938 -12.699 1.00 2.16 H new ATOM 0 HG13 VAL A 77 -1.220 -2.130 -11.528 1.00 2.16 H new ATOM 0 HG21 VAL A 77 1.352 -3.590 -12.352 1.00 1.95 H new ATOM 0 HG22 VAL A 77 0.825 -3.315 -10.674 1.00 1.95 H new ATOM 0 HG23 VAL A 77 1.196 -4.964 -11.231 1.00 1.95 H new ATOM 1235 N LEU A 78 -3.627 -5.956 -10.484 1.00 2.36 N ATOM 1236 CA LEU A 78 -4.968 -6.478 -10.926 1.00 2.82 C ATOM 1237 C LEU A 78 -4.940 -7.017 -12.368 1.00 3.14 C ATOM 1238 O LEU A 78 -5.728 -6.628 -13.216 1.00 3.38 O ATOM 1239 CB LEU A 78 -6.004 -5.339 -10.832 1.00 2.79 C ATOM 1240 CG LEU A 78 -6.311 -5.019 -9.358 1.00 3.03 C ATOM 1241 CD1 LEU A 78 -5.931 -3.564 -9.057 1.00 3.40 C ATOM 1242 CD2 LEU A 78 -7.814 -5.214 -9.091 1.00 3.86 C ATOM 0 H LEU A 78 -3.380 -6.160 -9.516 1.00 2.36 H new ATOM 0 HA LEU A 78 -5.236 -7.306 -10.270 1.00 2.82 H new ATOM 0 HB2 LEU A 78 -5.623 -4.449 -11.333 1.00 2.79 H new ATOM 0 HB3 LEU A 78 -6.920 -5.628 -11.347 1.00 2.79 H new ATOM 0 HG LEU A 78 -5.735 -5.687 -8.718 1.00 3.03 H new ATOM 0 HD11 LEU A 78 -6.149 -3.340 -8.013 1.00 3.40 H new ATOM 0 HD12 LEU A 78 -4.867 -3.420 -9.245 1.00 3.40 H new ATOM 0 HD13 LEU A 78 -6.506 -2.897 -9.699 1.00 3.40 H new ATOM 0 HD21 LEU A 78 -8.031 -4.987 -8.047 1.00 3.86 H new ATOM 0 HD22 LEU A 78 -8.387 -4.546 -9.734 1.00 3.86 H new ATOM 0 HD23 LEU A 78 -8.090 -6.247 -9.303 1.00 3.86 H new ATOM 1254 N ILE A 79 -4.034 -7.921 -12.600 1.00 3.90 N ATOM 1255 CA ILE A 79 -3.898 -8.543 -13.935 1.00 4.67 C ATOM 1256 C ILE A 79 -4.408 -9.981 -13.834 1.00 6.29 C ATOM 1257 O ILE A 79 -4.010 -10.861 -14.571 1.00 7.19 O ATOM 1258 CB ILE A 79 -2.409 -8.515 -14.306 1.00 5.48 C ATOM 1259 CG1 ILE A 79 -1.496 -8.750 -13.080 1.00 6.51 C ATOM 1260 CG2 ILE A 79 -2.075 -7.150 -14.916 1.00 5.30 C ATOM 1261 CD1 ILE A 79 -1.830 -10.082 -12.387 1.00 8.31 C ATOM 0 H ILE A 79 -3.370 -8.259 -11.903 1.00 3.90 H new ATOM 0 HA ILE A 79 -4.470 -8.016 -14.699 1.00 4.67 H new ATOM 0 HB ILE A 79 -2.228 -9.321 -15.017 1.00 5.48 H new ATOM 0 HG12 ILE A 79 -0.453 -8.752 -13.395 1.00 6.51 H new ATOM 0 HG13 ILE A 79 -1.614 -7.929 -12.373 1.00 6.51 H new ATOM 0 HG21 ILE A 79 -1.019 -7.120 -15.183 1.00 5.30 H new ATOM 0 HG22 ILE A 79 -2.680 -6.993 -15.809 1.00 5.30 H new ATOM 0 HG23 ILE A 79 -2.288 -6.365 -14.190 1.00 5.30 H new ATOM 0 HD11 ILE A 79 -1.172 -10.221 -11.529 1.00 8.31 H new ATOM 0 HD12 ILE A 79 -2.867 -10.067 -12.051 1.00 8.31 H new ATOM 0 HD13 ILE A 79 -1.688 -10.903 -13.089 1.00 8.31 H new ATOM 1273 N ASN A 80 -5.277 -10.152 -12.884 1.00 7.07 N ATOM 1274 CA ASN A 80 -5.889 -11.471 -12.588 1.00 8.99 C ATOM 1275 C ASN A 80 -7.349 -11.280 -12.156 1.00 10.06 C ATOM 1276 O ASN A 80 -8.255 -11.699 -12.845 1.00 11.04 O ATOM 1277 CB ASN A 80 -5.072 -12.131 -11.454 1.00 9.64 C ATOM 1278 CG ASN A 80 -4.779 -11.123 -10.319 1.00 10.04 C ATOM 1279 OD1 ASN A 80 -4.976 -9.924 -10.446 1.00 9.78 O ATOM 1280 ND2 ASN A 80 -4.287 -11.552 -9.200 1.00 11.14 N ATOM 0 H ASN A 80 -5.601 -9.400 -12.276 1.00 7.07 H new ATOM 0 HA ASN A 80 -5.878 -12.107 -13.473 1.00 8.99 H new ATOM 0 HB2 ASN A 80 -5.621 -12.983 -11.055 1.00 9.64 H new ATOM 0 HB3 ASN A 80 -4.134 -12.516 -11.854 1.00 9.64 H new ATOM 0 HD21 ASN A 80 -4.074 -10.893 -8.451 1.00 11.14 H new ATOM 0 HD22 ASN A 80 -4.113 -12.548 -9.068 1.00 11.14 H new ATOM 1287 N ASN A 81 -7.511 -10.608 -11.041 1.00 10.21 N ATOM 1288 CA ASN A 81 -8.851 -10.322 -10.442 1.00 11.59 C ATOM 1289 C ASN A 81 -8.593 -9.794 -9.015 1.00 12.17 C ATOM 1290 O ASN A 81 -8.444 -10.607 -8.128 1.00 13.19 O ATOM 1291 CB ASN A 81 -9.730 -11.598 -10.387 1.00 12.79 C ATOM 1292 CG ASN A 81 -11.178 -11.233 -10.037 1.00 13.81 C ATOM 1293 OD1 ASN A 81 -12.095 -11.988 -10.289 1.00 14.74 O ATOM 1294 ND2 ASN A 81 -11.440 -10.100 -9.454 1.00 14.00 N ATOM 1295 OXT ASN A 81 -8.555 -8.553 -8.867 1.00 11.91 O ATOM 0 H ASN A 81 -6.733 -10.231 -10.500 1.00 10.21 H new ATOM 0 HA ASN A 81 -9.389 -9.593 -11.049 1.00 11.59 H new ATOM 0 HB2 ASN A 81 -9.699 -12.110 -11.349 1.00 12.79 H new ATOM 0 HB3 ASN A 81 -9.333 -12.290 -9.644 1.00 12.79 H new ATOM 0 HD21 ASN A 81 -12.402 -9.859 -9.217 1.00 14.00 H new ATOM 0 HD22 ASN A 81 -10.683 -9.453 -9.234 1.00 14.00 H new TER 1302 ASN A 81