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 15 ASN : amide:sc= -4.39! C(o=-4.1!,f=-2.8!) USER MOD Set 1.2: A 52 SER OG : rot 142:sc= 0.291 USER MOD Single : A 7 ASN : amide:sc= 0.0919 X(o=0.092,f=-0.28) 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 18 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.38) USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.126) USER MOD Single : A 21 HIS : no HE2:sc= -7.03 K(o=-7,f=-6.5!) USER MOD Single : A 23 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.58) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -54:sc= 1.21 USER MOD Single : A 31 ASN : amide:sc= -3.74! C(o=-3.7!,f=-10!) USER MOD Single : A 33 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.75 K(o=-0.75,f=-2.6!) 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 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0117 K(o=-0.012,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 66 GLN : amide:sc= -0.0834 X(o=-0.083,f=-0.42) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -23.951 -6.964 5.531 1.00 6.51 N ATOM 2 CA ILE A 6 -23.030 -6.166 4.730 1.00 5.95 C ATOM 3 C ILE A 6 -21.718 -5.956 5.475 1.00 5.14 C ATOM 4 O ILE A 6 -21.628 -5.113 6.366 1.00 5.46 O ATOM 5 CB ILE A 6 -23.661 -4.817 4.400 1.00 6.67 C ATOM 6 CG1 ILE A 6 -25.084 -5.001 3.881 1.00 7.44 C ATOM 7 CG2 ILE A 6 -22.816 -4.056 3.385 1.00 6.84 C ATOM 8 CD1 ILE A 6 -26.113 -4.856 4.999 1.00 8.10 C ATOM 0 HA ILE A 6 -22.823 -6.701 3.803 1.00 5.95 H new ATOM 0 HB ILE A 6 -23.702 -4.230 5.317 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -25.286 -4.265 3.102 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -25.180 -5.985 3.422 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -23.286 -3.097 3.166 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -21.820 -3.886 3.795 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -22.736 -4.639 2.468 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -27.115 -4.993 4.592 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -25.926 -5.609 5.765 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -26.034 -3.862 5.440 1.00 8.10 H new ATOM 20 N ASN A 7 -20.703 -6.729 5.103 1.00 4.48 N ATOM 21 CA ASN A 7 -19.394 -6.628 5.736 1.00 4.06 C ATOM 22 C ASN A 7 -18.338 -7.335 4.895 1.00 3.11 C ATOM 23 O ASN A 7 -17.651 -8.238 5.375 1.00 3.46 O ATOM 24 CB ASN A 7 -19.441 -7.239 7.134 1.00 4.82 C ATOM 25 CG ASN A 7 -20.111 -8.606 7.096 1.00 5.60 C ATOM 26 OD1 ASN A 7 -21.323 -8.720 7.283 1.00 5.87 O ATOM 27 ND2 ASN A 7 -19.322 -9.647 6.857 1.00 6.34 N ATOM 0 H ASN A 7 -20.762 -7.432 4.366 1.00 4.48 H new ATOM 0 HA ASN A 7 -19.128 -5.574 5.815 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -18.430 -7.334 7.530 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -19.987 -6.579 7.808 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -19.715 -10.588 6.823 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -18.323 -9.506 6.708 1.00 6.34 H new ATOM 34 N ARG A 8 -18.210 -6.917 3.640 1.00 2.49 N ATOM 35 CA ARG A 8 -17.236 -7.506 2.729 1.00 2.11 C ATOM 36 C ARG A 8 -16.159 -6.490 2.370 1.00 1.69 C ATOM 37 O ARG A 8 -16.445 -5.450 1.777 1.00 2.38 O ATOM 38 CB ARG A 8 -17.935 -7.992 1.462 1.00 2.95 C ATOM 39 CG ARG A 8 -18.768 -9.245 1.726 1.00 3.61 C ATOM 40 CD ARG A 8 -19.333 -9.825 0.433 1.00 4.57 C ATOM 41 NE ARG A 8 -20.762 -9.554 0.337 1.00 5.39 N ATOM 42 CZ ARG A 8 -21.587 -10.372 -0.309 1.00 6.19 C ATOM 43 NH1 ARG A 8 -21.179 -11.001 -1.402 1.00 6.74 N ATOM 44 NH2 ARG A 8 -22.821 -10.560 0.137 1.00 6.68 N ATOM 0 H ARG A 8 -18.771 -6.170 3.230 1.00 2.49 H new ATOM 0 HA ARG A 8 -16.764 -8.354 3.226 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -18.578 -7.202 1.074 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -17.191 -8.204 0.694 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -18.152 -9.994 2.223 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -19.586 -9.003 2.405 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -18.816 -9.393 -0.424 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -19.157 -10.900 0.402 1.00 4.57 H new ATOM 0 HE ARG A 8 -21.139 -8.715 0.777 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -20.231 -10.858 -1.749 1.00 6.74 H new ATOM 0 HH12 ARG A 8 -21.813 -11.628 -1.896 1.00 6.74 H new ATOM 0 HH21 ARG A 8 -23.139 -10.077 0.977 1.00 6.68 H new ATOM 0 HH22 ARG A 8 -23.453 -11.188 -0.360 1.00 6.68 H new ATOM 58 N MET A 9 -14.917 -6.797 2.733 1.00 1.18 N ATOM 59 CA MET A 9 -13.794 -5.912 2.449 1.00 0.82 C ATOM 60 C MET A 9 -13.080 -6.348 1.176 1.00 0.72 C ATOM 61 O MET A 9 -13.477 -7.320 0.533 1.00 0.97 O ATOM 62 CB MET A 9 -12.818 -5.915 3.621 1.00 1.08 C ATOM 63 CG MET A 9 -13.511 -5.543 4.929 1.00 1.61 C ATOM 64 SD MET A 9 -12.485 -4.501 5.981 1.00 2.27 S ATOM 65 CE MET A 9 -11.746 -5.734 7.063 1.00 2.82 C ATOM 0 H MET A 9 -14.664 -7.654 3.225 1.00 1.18 H new ATOM 0 HA MET A 9 -14.176 -4.901 2.305 1.00 0.82 H new ATOM 0 HB2 MET A 9 -12.365 -6.902 3.716 1.00 1.08 H new ATOM 0 HB3 MET A 9 -12.009 -5.211 3.424 1.00 1.08 H new ATOM 0 HG2 MET A 9 -14.443 -5.024 4.708 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.773 -6.453 5.469 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.082 -5.243 7.774 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.532 -6.261 7.605 1.00 2.82 H new ATOM 0 HE3 MET A 9 -11.176 -6.447 6.467 1.00 2.82 H new ATOM 75 N ASP A 10 -12.025 -5.624 0.813 1.00 0.49 N ATOM 76 CA ASP A 10 -11.255 -5.940 -0.391 1.00 0.42 C ATOM 77 C ASP A 10 -9.772 -5.702 -0.152 1.00 0.38 C ATOM 78 O ASP A 10 -9.353 -4.588 0.160 1.00 0.54 O ATOM 79 CB ASP A 10 -11.718 -5.106 -1.601 1.00 0.44 C ATOM 80 CG ASP A 10 -12.660 -3.972 -1.199 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.884 -4.210 -1.142 1.00 1.55 O ATOM 82 OD2 ASP A 10 -12.170 -2.853 -0.941 1.00 1.53 O ATOM 0 H ASP A 10 -11.683 -4.816 1.333 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.426 -6.993 -0.615 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -10.847 -4.689 -2.107 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -12.221 -5.757 -2.316 1.00 0.44 H new ATOM 87 N TYR A 11 -8.980 -6.758 -0.306 1.00 0.40 N ATOM 88 CA TYR A 11 -7.538 -6.670 -0.113 1.00 0.37 C ATOM 89 C TYR A 11 -6.815 -6.868 -1.440 1.00 0.34 C ATOM 90 O TYR A 11 -7.432 -7.210 -2.448 1.00 0.38 O ATOM 91 CB TYR A 11 -7.077 -7.718 0.901 1.00 0.42 C ATOM 92 CG TYR A 11 -7.122 -9.128 0.364 1.00 0.48 C ATOM 93 CD1 TYR A 11 -6.083 -9.607 -0.415 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.199 -9.949 0.650 1.00 0.54 C ATOM 95 CE1 TYR A 11 -6.121 -10.900 -0.907 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.237 -11.242 0.158 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.197 -11.712 -0.618 1.00 0.67 C ATOM 98 OH TYR A 11 -7.236 -12.997 -1.107 1.00 0.78 O ATOM 0 H TYR A 11 -9.314 -7.686 -0.564 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.296 -5.679 0.272 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.058 -7.488 1.213 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.705 -7.655 1.790 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.240 -8.970 -0.640 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -9.011 -9.580 1.258 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -5.310 -11.272 -1.516 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.078 -11.882 0.381 1.00 0.63 H new ATOM 0 HH TYR A 11 -8.061 -13.435 -0.811 1.00 0.78 H new ATOM 108 N VAL A 12 -5.504 -6.649 -1.436 1.00 0.34 N ATOM 109 CA VAL A 12 -4.701 -6.804 -2.642 1.00 0.34 C ATOM 110 C VAL A 12 -3.218 -6.821 -2.302 1.00 0.35 C ATOM 111 O VAL A 12 -2.719 -5.936 -1.607 1.00 0.51 O ATOM 112 CB VAL A 12 -5.000 -5.666 -3.615 1.00 0.38 C ATOM 113 CG1 VAL A 12 -4.753 -4.312 -2.956 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.165 -5.808 -4.885 1.00 0.81 C ATOM 0 H VAL A 12 -4.976 -6.364 -0.611 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.958 -7.754 -3.110 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.053 -5.723 -3.891 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -4.972 -3.516 -3.667 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.399 -4.208 -2.084 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -3.711 -4.244 -2.645 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.394 -4.987 -5.564 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.106 -5.783 -4.629 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.398 -6.756 -5.370 1.00 0.81 H new ATOM 124 N GLU A 13 -2.516 -7.833 -2.800 1.00 0.49 N ATOM 125 CA GLU A 13 -1.085 -7.970 -2.555 1.00 0.54 C ATOM 126 C GLU A 13 -0.296 -7.608 -3.806 1.00 0.50 C ATOM 127 O GLU A 13 -0.472 -8.217 -4.861 1.00 0.60 O ATOM 128 CB GLU A 13 -0.750 -9.400 -2.124 1.00 0.67 C ATOM 129 CG GLU A 13 -1.598 -10.436 -2.860 1.00 1.05 C ATOM 130 CD GLU A 13 -0.808 -11.725 -3.048 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.403 -11.644 -3.342 1.00 1.97 O ATOM 132 OE2 GLU A 13 -1.402 -12.814 -2.901 1.00 2.05 O ATOM 0 H GLU A 13 -2.916 -8.572 -3.377 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.808 -7.287 -1.752 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.306 -9.597 -2.312 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -0.907 -9.501 -1.050 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.509 -10.638 -2.296 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.904 -10.044 -3.830 1.00 1.05 H new ATOM 139 N ILE A 14 0.572 -6.608 -3.685 1.00 0.48 N ATOM 140 CA ILE A 14 1.385 -6.162 -4.810 1.00 0.49 C ATOM 141 C ILE A 14 2.855 -6.484 -4.576 1.00 0.48 C ATOM 142 O ILE A 14 3.444 -6.059 -3.580 1.00 0.43 O ATOM 143 CB ILE A 14 1.213 -4.661 -5.020 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.336 -3.917 -3.694 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.126 -4.356 -5.684 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.246 -2.406 -3.888 1.00 0.63 C ATOM 0 H ILE A 14 0.730 -6.092 -2.820 1.00 0.48 H new ATOM 0 HA ILE A 14 1.051 -6.691 -5.703 1.00 0.49 H new ATOM 0 HB ILE A 14 2.007 -4.317 -5.683 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.547 -4.245 -3.017 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.286 -4.168 -3.222 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.226 -3.280 -5.824 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.173 -4.853 -6.653 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.937 -4.717 -5.051 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.338 -1.909 -2.922 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.051 -2.075 -4.544 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.285 -2.153 -4.336 1.00 0.63 H new ATOM 158 N ASN A 15 3.443 -7.233 -5.504 1.00 0.59 N ATOM 159 CA ASN A 15 4.847 -7.611 -5.410 1.00 0.62 C ATOM 160 C ASN A 15 5.732 -6.445 -5.828 1.00 0.60 C ATOM 161 O ASN A 15 5.725 -6.036 -6.990 1.00 0.78 O ATOM 162 CB ASN A 15 5.124 -8.816 -6.303 1.00 0.79 C ATOM 163 CG ASN A 15 5.879 -9.888 -5.530 1.00 1.31 C ATOM 164 OD1 ASN A 15 6.880 -10.425 -6.007 1.00 2.20 O ATOM 165 ND2 ASN A 15 5.402 -10.201 -4.332 1.00 1.54 N ATOM 0 H ASN A 15 2.966 -7.591 -6.332 1.00 0.59 H new ATOM 0 HA ASN A 15 5.071 -7.874 -4.376 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.185 -9.223 -6.677 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.706 -8.507 -7.171 1.00 0.79 H new ATOM 0 HD21 ASN A 15 5.868 -10.912 -3.767 1.00 1.54 H new ATOM 0 HD22 ASN A 15 4.570 -9.731 -3.976 1.00 1.54 H new ATOM 172 N ILE A 16 6.489 -5.909 -4.879 1.00 0.49 N ATOM 173 CA ILE A 16 7.373 -4.784 -5.155 1.00 0.49 C ATOM 174 C ILE A 16 8.752 -5.023 -4.555 1.00 0.56 C ATOM 175 O ILE A 16 8.886 -5.679 -3.521 1.00 0.66 O ATOM 176 CB ILE A 16 6.769 -3.504 -4.586 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.388 -3.253 -5.190 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.687 -2.312 -4.829 1.00 0.58 C ATOM 179 CD1 ILE A 16 4.647 -2.144 -4.450 1.00 0.84 C ATOM 0 H ILE A 16 6.509 -6.235 -3.913 1.00 0.49 H new ATOM 0 HA ILE A 16 7.483 -4.682 -6.235 1.00 0.49 H new ATOM 0 HB ILE A 16 6.659 -3.629 -3.509 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.493 -2.983 -6.241 1.00 0.63 H new ATOM 0 HG13 ILE A 16 4.801 -4.171 -5.153 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.233 -1.412 -4.414 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.648 -2.489 -4.347 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.837 -2.181 -5.901 1.00 0.58 H new ATOM 0 HD11 ILE A 16 3.669 -1.992 -4.907 1.00 0.84 H new ATOM 0 HD12 ILE A 16 4.520 -2.426 -3.405 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.222 -1.220 -4.509 1.00 0.84 H new ATOM 191 N ASP A 17 9.777 -4.491 -5.213 1.00 0.63 N ATOM 192 CA ASP A 17 11.149 -4.649 -4.749 1.00 0.75 C ATOM 193 C ASP A 17 12.063 -3.635 -5.426 1.00 1.00 C ATOM 194 O ASP A 17 13.209 -3.942 -5.754 1.00 1.75 O ATOM 195 CB ASP A 17 11.636 -6.061 -5.046 1.00 1.27 C ATOM 196 CG ASP A 17 10.647 -6.781 -5.955 1.00 1.63 C ATOM 197 OD1 ASP A 17 10.468 -6.339 -7.108 1.00 2.21 O ATOM 198 OD2 ASP A 17 10.052 -7.785 -5.509 1.00 2.16 O ATOM 0 H ASP A 17 9.682 -3.946 -6.070 1.00 0.63 H new ATOM 0 HA ASP A 17 11.174 -4.477 -3.673 1.00 0.75 H new ATOM 0 HB2 ASP A 17 12.616 -6.023 -5.522 1.00 1.27 H new ATOM 0 HB3 ASP A 17 11.755 -6.615 -4.115 1.00 1.27 H new ATOM 203 N HIS A 18 11.550 -2.426 -5.635 1.00 1.27 N ATOM 204 CA HIS A 18 12.324 -1.367 -6.274 1.00 1.85 C ATOM 205 C HIS A 18 12.486 -0.180 -5.332 1.00 1.32 C ATOM 206 O HIS A 18 12.172 0.956 -5.688 1.00 2.00 O ATOM 207 CB HIS A 18 11.632 -0.922 -7.561 1.00 2.83 C ATOM 208 CG HIS A 18 12.176 -1.601 -8.781 1.00 3.48 C ATOM 209 ND1 HIS A 18 13.517 -1.752 -9.024 1.00 4.01 N ATOM 210 CD2 HIS A 18 11.560 -2.177 -9.847 1.00 4.16 C ATOM 211 CE1 HIS A 18 13.721 -2.378 -10.159 1.00 4.73 C ATOM 212 NE2 HIS A 18 12.543 -2.655 -10.694 1.00 4.84 N ATOM 0 H HIS A 18 10.602 -2.156 -5.371 1.00 1.27 H new ATOM 0 HA HIS A 18 13.314 -1.755 -6.515 1.00 1.85 H new ATOM 0 HB2 HIS A 18 10.564 -1.127 -7.483 1.00 2.83 H new ATOM 0 HB3 HIS A 18 11.742 0.157 -7.672 1.00 2.83 H new ATOM 0 HD2 HIS A 18 10.494 -2.249 -10.004 1.00 4.16 H new ATOM 0 HE1 HIS A 18 14.683 -2.624 -10.583 1.00 4.73 H new ATOM 0 HE2 HIS A 18 12.387 -3.138 -11.579 1.00 4.84 H new ATOM 220 N LYS A 19 12.975 -0.451 -4.125 1.00 0.82 N ATOM 221 CA LYS A 19 13.178 0.594 -3.125 1.00 0.84 C ATOM 222 C LYS A 19 11.921 1.441 -2.977 1.00 0.77 C ATOM 223 O LYS A 19 11.991 2.628 -2.658 1.00 1.13 O ATOM 224 CB LYS A 19 14.356 1.479 -3.522 1.00 1.47 C ATOM 225 CG LYS A 19 15.661 0.690 -3.573 1.00 1.97 C ATOM 226 CD LYS A 19 15.969 0.203 -4.987 1.00 2.72 C ATOM 227 CE LYS A 19 17.464 -0.034 -5.186 1.00 3.37 C ATOM 228 NZ LYS A 19 18.013 -0.939 -4.138 1.00 4.03 N ATOM 0 H LYS A 19 13.238 -1.386 -3.815 1.00 0.82 H new ATOM 0 HA LYS A 19 13.395 0.119 -2.168 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.163 1.927 -4.497 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.453 2.298 -2.809 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.479 1.316 -3.217 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.597 -0.164 -2.899 1.00 1.97 H new ATOM 0 HD2 LYS A 19 15.424 -0.721 -5.181 1.00 2.72 H new ATOM 0 HD3 LYS A 19 15.617 0.938 -5.711 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.638 -0.467 -6.171 1.00 3.37 H new ATOM 0 HE3 LYS A 19 17.992 0.919 -5.159 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 18.970 -1.244 -4.409 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.055 -0.434 -3.230 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 17.398 -1.773 -4.042 1.00 4.03 H new ATOM 242 N PHE A 20 10.770 0.821 -3.215 1.00 0.63 N ATOM 243 CA PHE A 20 9.489 1.509 -3.116 1.00 0.61 C ATOM 244 C PHE A 20 9.157 1.824 -1.663 1.00 0.62 C ATOM 245 O PHE A 20 8.743 2.937 -1.337 1.00 0.95 O ATOM 246 CB PHE A 20 8.388 0.637 -3.713 1.00 0.62 C ATOM 247 CG PHE A 20 7.921 1.114 -5.065 1.00 0.75 C ATOM 248 CD1 PHE A 20 8.756 1.009 -6.165 1.00 1.08 C ATOM 249 CD2 PHE A 20 6.658 1.663 -5.212 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.329 1.449 -7.406 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.232 2.104 -6.453 1.00 1.17 C ATOM 252 CZ PHE A 20 7.055 1.984 -7.551 1.00 1.19 C ATOM 0 H PHE A 20 10.699 -0.162 -3.479 1.00 0.63 H new ATOM 0 HA PHE A 20 9.557 2.445 -3.670 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.752 -0.387 -3.802 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.539 0.615 -3.029 1.00 0.62 H new ATOM 0 HD1 PHE A 20 9.742 0.583 -6.054 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.004 1.747 -4.357 1.00 0.96 H new ATOM 0 HE1 PHE A 20 8.985 1.377 -8.261 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.251 2.544 -6.561 1.00 1.17 H new ATOM 0 HZ PHE A 20 6.711 2.305 -8.523 1.00 1.19 H new ATOM 262 N HIS A 21 9.337 0.836 -0.792 1.00 0.53 N ATOM 263 CA HIS A 21 9.050 1.002 0.628 1.00 0.57 C ATOM 264 C HIS A 21 9.848 2.159 1.210 1.00 0.69 C ATOM 265 O HIS A 21 9.277 3.144 1.681 1.00 1.03 O ATOM 266 CB HIS A 21 9.386 -0.280 1.381 1.00 0.54 C ATOM 267 CG HIS A 21 8.599 -1.462 0.905 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.277 -2.525 1.708 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.044 -1.758 -0.301 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.573 -3.416 1.052 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.411 -2.980 -0.186 1.00 0.42 N ATOM 0 H HIS A 21 9.681 -0.090 -1.046 1.00 0.53 H new ATOM 0 HA HIS A 21 7.988 1.221 0.738 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.450 -0.491 1.272 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.199 -0.130 2.444 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.549 -2.612 2.687 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.090 -1.146 -1.190 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.192 -4.344 1.453 1.00 0.45 H new ATOM 279 N ARG A 22 11.170 2.033 1.183 1.00 0.68 N ATOM 280 CA ARG A 22 12.050 3.066 1.718 1.00 0.80 C ATOM 281 C ARG A 22 11.654 4.441 1.191 1.00 0.81 C ATOM 282 O ARG A 22 11.773 5.445 1.893 1.00 0.92 O ATOM 283 CB ARG A 22 13.498 2.766 1.343 1.00 0.93 C ATOM 284 CG ARG A 22 14.474 3.616 2.152 1.00 1.64 C ATOM 285 CD ARG A 22 15.290 2.767 3.122 1.00 2.14 C ATOM 286 NE ARG A 22 16.013 3.619 4.058 1.00 2.73 N ATOM 287 CZ ARG A 22 16.860 4.553 3.641 1.00 3.33 C ATOM 288 NH1 ARG A 22 17.949 4.211 2.966 1.00 3.72 N ATOM 289 NH2 ARG A 22 16.618 5.831 3.897 1.00 3.95 N ATOM 0 H ARG A 22 11.657 1.225 0.796 1.00 0.68 H new ATOM 0 HA ARG A 22 11.952 3.070 2.804 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.707 1.710 1.512 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.646 2.954 0.279 1.00 0.93 H new ATOM 0 HG2 ARG A 22 15.146 4.143 1.475 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.922 4.375 2.707 1.00 1.64 H new ATOM 0 HD2 ARG A 22 14.631 2.093 3.669 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.993 2.145 2.568 1.00 2.14 H new ATOM 0 HE ARG A 22 15.864 3.495 5.059 1.00 2.73 H new ATOM 0 HH11 ARG A 22 18.138 3.229 2.766 1.00 3.72 H new ATOM 0 HH12 ARG A 22 18.598 4.930 2.647 1.00 3.72 H new ATOM 0 HH21 ARG A 22 15.781 6.098 4.415 1.00 3.95 H new ATOM 0 HH22 ARG A 22 17.269 6.548 3.576 1.00 3.95 H new ATOM 303 N HIS A 23 11.181 4.478 -0.050 1.00 0.90 N ATOM 304 CA HIS A 23 10.764 5.726 -0.678 1.00 0.98 C ATOM 305 C HIS A 23 9.333 6.072 -0.287 1.00 0.96 C ATOM 306 O HIS A 23 8.942 7.239 -0.294 1.00 1.12 O ATOM 307 CB HIS A 23 10.859 5.600 -2.196 1.00 1.02 C ATOM 308 CG HIS A 23 12.087 6.244 -2.760 1.00 1.30 C ATOM 309 ND1 HIS A 23 12.599 7.428 -2.295 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.921 5.875 -3.768 1.00 1.56 C ATOM 311 CE1 HIS A 23 13.673 7.772 -2.965 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.903 6.843 -3.878 1.00 1.86 N ATOM 0 H HIS A 23 11.077 3.654 -0.643 1.00 0.90 H new ATOM 0 HA HIS A 23 11.425 6.522 -0.334 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.851 4.545 -2.469 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.977 6.053 -2.649 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.833 4.986 -4.374 1.00 1.56 H new ATOM 0 HE1 HIS A 23 14.266 8.659 -2.800 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.672 6.841 -4.548 1.00 1.86 H new ATOM 320 N LEU A 24 8.555 5.048 0.040 1.00 0.86 N ATOM 321 CA LEU A 24 7.160 5.231 0.422 1.00 0.87 C ATOM 322 C LEU A 24 7.040 5.588 1.899 1.00 0.97 C ATOM 323 O LEU A 24 6.503 6.637 2.250 1.00 1.16 O ATOM 324 CB LEU A 24 6.382 3.957 0.122 1.00 0.73 C ATOM 325 CG LEU A 24 5.971 3.899 -1.344 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.165 2.495 -1.908 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.529 4.361 -1.514 1.00 1.25 C ATOM 0 H LEU A 24 8.868 4.077 0.048 1.00 0.86 H new ATOM 0 HA LEU A 24 6.744 6.056 -0.156 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.993 3.088 0.367 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.495 3.911 0.754 1.00 0.73 H new ATOM 0 HG LEU A 24 6.614 4.576 -1.906 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.865 2.479 -2.956 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.215 2.212 -1.827 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.555 1.789 -1.345 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.253 4.313 -2.567 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.869 3.714 -0.936 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.432 5.387 -1.160 1.00 1.25 H new ATOM 339 N ILE A 25 7.541 4.709 2.761 1.00 0.92 N ATOM 340 CA ILE A 25 7.485 4.937 4.201 1.00 1.10 C ATOM 341 C ILE A 25 8.095 6.288 4.560 1.00 1.41 C ATOM 342 O ILE A 25 7.786 6.859 5.607 1.00 1.91 O ATOM 343 CB ILE A 25 8.216 3.816 4.938 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.712 3.836 4.632 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.625 2.456 4.582 1.00 1.06 C ATOM 346 CD1 ILE A 25 10.526 3.376 5.837 1.00 0.91 C ATOM 0 H ILE A 25 7.989 3.834 2.489 1.00 0.92 H new ATOM 0 HA ILE A 25 6.439 4.942 4.508 1.00 1.10 H new ATOM 0 HB ILE A 25 8.083 3.985 6.007 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.921 3.189 3.780 1.00 0.90 H new ATOM 0 HG13 ILE A 25 10.015 4.844 4.348 1.00 0.90 H new ATOM 0 HG21 ILE A 25 8.162 1.674 5.119 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.572 2.432 4.863 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.718 2.289 3.509 1.00 1.06 H new ATOM 0 HD11 ILE A 25 11.587 3.400 5.590 1.00 0.91 H new ATOM 0 HD12 ILE A 25 10.334 4.040 6.680 1.00 0.91 H new ATOM 0 HD13 ILE A 25 10.239 2.359 6.103 1.00 0.91 H new ATOM 358 N GLY A 26 8.961 6.798 3.688 1.00 1.49 N ATOM 359 CA GLY A 26 9.611 8.082 3.916 1.00 1.87 C ATOM 360 C GLY A 26 10.647 7.980 5.028 1.00 1.82 C ATOM 361 O GLY A 26 11.483 7.077 5.030 1.00 2.29 O ATOM 0 H GLY A 26 9.228 6.340 2.817 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.091 8.419 2.997 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.863 8.831 4.178 1.00 1.87 H new ATOM 365 N LYS A 27 10.588 8.912 5.974 1.00 1.86 N ATOM 366 CA LYS A 27 11.522 8.927 7.095 1.00 1.91 C ATOM 367 C LYS A 27 11.515 7.584 7.814 1.00 1.62 C ATOM 368 O LYS A 27 12.532 6.893 7.868 1.00 2.38 O ATOM 369 CB LYS A 27 11.148 10.037 8.071 1.00 2.21 C ATOM 370 CG LYS A 27 12.094 11.229 7.955 1.00 2.65 C ATOM 371 CD LYS A 27 11.439 12.398 7.224 1.00 3.30 C ATOM 372 CE LYS A 27 12.481 13.340 6.629 1.00 3.80 C ATOM 373 NZ LYS A 27 11.892 14.675 6.326 1.00 4.51 N ATOM 0 H LYS A 27 9.903 9.667 5.987 1.00 1.86 H new ATOM 0 HA LYS A 27 12.524 9.111 6.708 1.00 1.91 H new ATOM 0 HB2 LYS A 27 10.126 10.363 7.878 1.00 2.21 H new ATOM 0 HB3 LYS A 27 11.172 9.650 9.090 1.00 2.21 H new ATOM 0 HG2 LYS A 27 12.401 11.548 8.951 1.00 2.65 H new ATOM 0 HG3 LYS A 27 12.997 10.927 7.424 1.00 2.65 H new ATOM 0 HD2 LYS A 27 10.796 12.018 6.431 1.00 3.30 H new ATOM 0 HD3 LYS A 27 10.801 12.949 7.915 1.00 3.30 H new ATOM 0 HE2 LYS A 27 13.311 13.456 7.327 1.00 3.80 H new ATOM 0 HE3 LYS A 27 12.890 12.905 5.717 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 12.624 15.294 5.923 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 11.116 14.565 5.642 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 11.524 15.099 7.202 1.00 4.51 H new ATOM 387 N SER A 28 10.362 7.220 8.365 1.00 1.28 N ATOM 388 CA SER A 28 10.219 5.958 9.082 1.00 1.60 C ATOM 389 C SER A 28 8.785 5.454 8.991 1.00 1.60 C ATOM 390 O SER A 28 8.287 4.801 9.909 1.00 2.28 O ATOM 391 CB SER A 28 10.612 6.142 10.545 1.00 1.99 C ATOM 392 OG SER A 28 10.376 4.947 11.273 1.00 2.57 O ATOM 0 H SER A 28 9.512 7.782 8.329 1.00 1.28 H new ATOM 0 HA SER A 28 10.879 5.221 8.624 1.00 1.60 H new ATOM 0 HB2 SER A 28 11.665 6.416 10.614 1.00 1.99 H new ATOM 0 HB3 SER A 28 10.040 6.961 10.982 1.00 1.99 H new ATOM 0 HG SER A 28 9.445 4.666 11.148 1.00 2.57 H new ATOM 398 N GLY A 29 8.127 5.761 7.879 1.00 1.21 N ATOM 399 CA GLY A 29 6.747 5.340 7.666 1.00 1.23 C ATOM 400 C GLY A 29 5.779 6.467 7.991 1.00 1.36 C ATOM 401 O GLY A 29 5.763 6.983 9.109 1.00 2.05 O ATOM 0 H GLY A 29 8.527 6.300 7.111 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.614 5.028 6.630 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.526 4.474 8.290 1.00 1.23 H new ATOM 405 N ALA A 30 4.974 6.849 7.006 1.00 1.00 N ATOM 406 CA ALA A 30 4.002 7.922 7.181 1.00 1.10 C ATOM 407 C ALA A 30 2.958 7.886 6.073 1.00 1.06 C ATOM 408 O ALA A 30 1.766 8.057 6.323 1.00 1.43 O ATOM 409 CB ALA A 30 4.716 9.269 7.174 1.00 1.27 C ATOM 0 H ALA A 30 4.975 6.430 6.076 1.00 1.00 H new ATOM 0 HA ALA A 30 3.498 7.783 8.137 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.986 10.068 7.305 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.440 9.301 7.988 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.233 9.402 6.224 1.00 1.27 H new ATOM 415 N ASN A 31 3.417 7.662 4.844 1.00 0.73 N ATOM 416 CA ASN A 31 2.531 7.601 3.684 1.00 0.69 C ATOM 417 C ASN A 31 1.324 6.718 3.969 1.00 0.60 C ATOM 418 O ASN A 31 0.191 7.069 3.638 1.00 0.58 O ATOM 419 CB ASN A 31 3.294 7.056 2.483 1.00 0.71 C ATOM 420 CG ASN A 31 3.786 5.643 2.766 1.00 1.24 C ATOM 421 OD1 ASN A 31 4.278 5.352 3.857 1.00 1.91 O ATOM 422 ND2 ASN A 31 3.652 4.763 1.782 1.00 1.42 N ATOM 0 H ASN A 31 4.403 7.519 4.625 1.00 0.73 H new ATOM 0 HA ASN A 31 2.177 8.609 3.467 1.00 0.69 H new ATOM 0 HB2 ASN A 31 2.649 7.055 1.604 1.00 0.71 H new ATOM 0 HB3 ASN A 31 4.140 7.704 2.256 1.00 0.71 H new ATOM 0 HD21 ASN A 31 3.963 3.800 1.913 1.00 1.42 H new ATOM 0 HD22 ASN A 31 3.238 5.049 0.895 1.00 1.42 H new ATOM 429 N ILE A 32 1.574 5.568 4.586 1.00 0.58 N ATOM 430 CA ILE A 32 0.513 4.621 4.922 1.00 0.56 C ATOM 431 C ILE A 32 -0.665 5.335 5.576 1.00 0.52 C ATOM 432 O ILE A 32 -1.822 4.977 5.355 1.00 0.51 O ATOM 433 CB ILE A 32 1.053 3.551 5.863 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.794 4.192 7.033 1.00 0.70 C ATOM 435 CG2 ILE A 32 1.964 2.582 5.116 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.193 3.155 8.078 1.00 1.07 C ATOM 0 H ILE A 32 2.507 5.267 4.866 1.00 0.58 H new ATOM 0 HA ILE A 32 0.166 4.154 4.001 1.00 0.56 H new ATOM 0 HB ILE A 32 0.208 2.986 6.258 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.685 4.701 6.666 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.161 4.950 7.494 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.338 1.827 5.808 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.402 2.097 4.318 1.00 0.69 H new ATOM 0 HG23 ILE A 32 2.804 3.129 4.688 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.719 3.647 8.897 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.299 2.664 8.463 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.847 2.412 7.622 1.00 1.07 H new ATOM 448 N ASN A 33 -0.363 6.348 6.382 1.00 0.56 N ATOM 449 CA ASN A 33 -1.395 7.115 7.069 1.00 0.59 C ATOM 450 C ASN A 33 -2.084 8.069 6.103 1.00 0.54 C ATOM 451 O ASN A 33 -3.312 8.143 6.057 1.00 0.55 O ATOM 452 CB ASN A 33 -0.782 7.899 8.225 1.00 0.71 C ATOM 453 CG ASN A 33 -1.425 7.489 9.543 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.927 6.374 9.681 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.411 8.394 10.516 1.00 1.62 N ATOM 0 H ASN A 33 0.590 6.657 6.575 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.138 6.421 7.462 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.292 7.719 8.266 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.921 8.968 8.062 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -1.828 8.176 11.421 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -0.984 9.307 10.358 1.00 1.62 H new ATOM 462 N ARG A 34 -1.287 8.799 5.329 1.00 0.55 N ATOM 463 CA ARG A 34 -1.821 9.750 4.361 1.00 0.56 C ATOM 464 C ARG A 34 -2.854 9.075 3.468 1.00 0.48 C ATOM 465 O ARG A 34 -3.993 9.529 3.367 1.00 0.48 O ATOM 466 CB ARG A 34 -0.691 10.320 3.511 1.00 0.65 C ATOM 467 CG ARG A 34 -1.033 11.710 2.982 1.00 0.89 C ATOM 468 CD ARG A 34 0.081 12.265 2.100 1.00 1.22 C ATOM 469 NE ARG A 34 -0.466 13.190 1.114 1.00 1.69 N ATOM 470 CZ ARG A 34 -0.691 12.820 -0.142 1.00 2.27 C ATOM 471 NH1 ARG A 34 -1.306 11.673 -0.398 1.00 2.90 N ATOM 472 NH2 ARG A 34 -0.301 13.596 -1.144 1.00 2.78 N ATOM 0 H ARG A 34 -0.268 8.750 5.354 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.305 10.563 4.902 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.222 10.370 4.104 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.491 9.651 2.674 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.961 11.665 2.412 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.206 12.386 3.819 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.821 12.776 2.716 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.596 11.447 1.595 1.00 1.22 H new ATOM 0 HE ARG A 34 -0.682 14.146 1.396 1.00 1.69 H new ATOM 0 HH11 ARG A 34 -1.607 11.073 0.370 1.00 2.90 H new ATOM 0 HH12 ARG A 34 -1.478 11.391 -1.363 1.00 2.90 H new ATOM 0 HH21 ARG A 34 0.173 14.479 -0.951 1.00 2.78 H new ATOM 0 HH22 ARG A 34 -0.475 13.310 -2.108 1.00 2.78 H new ATOM 486 N ILE A 35 -2.451 7.983 2.825 1.00 0.45 N ATOM 487 CA ILE A 35 -3.344 7.241 1.943 1.00 0.40 C ATOM 488 C ILE A 35 -4.580 6.779 2.707 1.00 0.34 C ATOM 489 O ILE A 35 -5.704 7.140 2.364 1.00 0.34 O ATOM 490 CB ILE A 35 -2.616 6.035 1.357 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.317 6.465 0.679 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.509 5.285 0.374 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.563 7.545 -0.371 1.00 1.29 C ATOM 0 H ILE A 35 -1.511 7.593 2.899 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.658 7.898 1.132 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.369 5.360 2.176 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.620 6.838 1.430 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.847 5.601 0.210 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.967 4.430 -0.030 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.405 4.937 0.889 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.794 5.951 -0.440 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.616 7.826 -0.832 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -2.240 7.162 -1.135 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -2.009 8.419 0.104 1.00 1.29 H new ATOM 505 N LYS A 36 -4.360 5.980 3.748 1.00 0.35 N ATOM 506 CA LYS A 36 -5.445 5.457 4.579 1.00 0.36 C ATOM 507 C LYS A 36 -6.486 6.535 4.873 1.00 0.39 C ATOM 508 O LYS A 36 -7.669 6.239 5.031 1.00 0.51 O ATOM 509 CB LYS A 36 -4.870 4.921 5.891 1.00 0.44 C ATOM 510 CG LYS A 36 -5.968 4.498 6.868 1.00 1.09 C ATOM 511 CD LYS A 36 -5.968 5.362 8.125 1.00 1.41 C ATOM 512 CE LYS A 36 -7.365 5.463 8.734 1.00 2.17 C ATOM 513 NZ LYS A 36 -7.408 6.473 9.830 1.00 2.76 N ATOM 0 H LYS A 36 -3.431 5.677 4.039 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.937 4.652 4.034 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.223 4.069 5.682 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.248 5.687 6.354 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.939 4.569 6.377 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.826 3.453 7.145 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -5.280 4.940 8.858 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.603 6.360 7.882 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -8.083 5.733 7.959 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -7.666 4.490 9.122 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -8.370 6.518 10.223 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -6.740 6.201 10.579 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -7.144 7.406 9.453 1.00 2.76 H new ATOM 527 N ASP A 37 -6.039 7.781 4.957 1.00 0.40 N ATOM 528 CA ASP A 37 -6.927 8.896 5.243 1.00 0.45 C ATOM 529 C ASP A 37 -7.490 9.486 3.958 1.00 0.44 C ATOM 530 O ASP A 37 -8.632 9.943 3.921 1.00 0.60 O ATOM 531 CB ASP A 37 -6.162 9.962 6.009 1.00 0.51 C ATOM 532 CG ASP A 37 -6.911 10.348 7.278 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.940 11.048 7.173 1.00 1.56 O ATOM 534 OD2 ASP A 37 -6.466 9.951 8.375 1.00 1.37 O ATOM 0 H ASP A 37 -5.062 8.044 4.830 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.761 8.535 5.845 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.169 9.593 6.264 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.023 10.841 5.380 1.00 0.51 H new ATOM 539 N GLN A 38 -6.676 9.485 2.911 1.00 0.41 N ATOM 540 CA GLN A 38 -7.082 10.035 1.621 1.00 0.46 C ATOM 541 C GLN A 38 -7.948 9.052 0.841 1.00 0.42 C ATOM 542 O GLN A 38 -8.714 9.452 -0.036 1.00 0.68 O ATOM 543 CB GLN A 38 -5.847 10.394 0.801 1.00 0.54 C ATOM 544 CG GLN A 38 -6.224 11.006 -0.543 1.00 0.65 C ATOM 545 CD GLN A 38 -5.134 11.953 -1.019 1.00 1.05 C ATOM 546 OE1 GLN A 38 -3.945 11.668 -0.883 1.00 1.65 O ATOM 547 NE2 GLN A 38 -5.541 13.085 -1.579 1.00 1.66 N ATOM 0 H GLN A 38 -5.728 9.109 2.928 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.674 10.930 1.810 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.229 11.096 1.361 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.245 9.500 0.638 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -6.376 10.217 -1.279 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.168 11.544 -0.453 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -6.538 13.279 -1.671 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -4.857 13.761 -1.918 1.00 1.66 H new ATOM 556 N TYR A 39 -7.820 7.764 1.146 1.00 0.34 N ATOM 557 CA TYR A 39 -8.591 6.738 0.449 1.00 0.34 C ATOM 558 C TYR A 39 -9.366 5.847 1.419 1.00 0.30 C ATOM 559 O TYR A 39 -9.978 4.864 1.001 1.00 0.32 O ATOM 560 CB TYR A 39 -7.658 5.879 -0.399 1.00 0.39 C ATOM 561 CG TYR A 39 -7.005 6.646 -1.522 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.968 7.522 -1.255 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.439 6.475 -2.825 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.369 8.225 -2.285 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.839 7.177 -3.856 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.807 8.050 -3.581 1.00 0.66 C ATOM 567 OH TYR A 39 -5.211 8.748 -4.605 1.00 0.77 O ATOM 0 H TYR A 39 -7.193 7.407 1.867 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.315 7.246 -0.188 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.884 5.453 0.240 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.221 5.044 -0.816 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.625 7.657 -0.240 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.248 5.792 -3.038 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.560 8.909 -2.075 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.178 7.042 -4.873 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.636 8.509 -5.455 1.00 0.77 H new ATOM 577 N LYS A 40 -9.345 6.180 2.709 1.00 0.28 N ATOM 578 CA LYS A 40 -10.055 5.387 3.712 1.00 0.31 C ATOM 579 C LYS A 40 -9.727 3.906 3.549 1.00 0.29 C ATOM 580 O LYS A 40 -10.612 3.053 3.612 1.00 0.39 O ATOM 581 CB LYS A 40 -11.560 5.600 3.574 1.00 0.38 C ATOM 582 CG LYS A 40 -11.972 6.999 4.026 1.00 0.86 C ATOM 583 CD LYS A 40 -13.305 6.980 4.770 1.00 1.29 C ATOM 584 CE LYS A 40 -13.297 7.939 5.957 1.00 1.88 C ATOM 585 NZ LYS A 40 -12.746 7.287 7.177 1.00 2.56 N ATOM 0 H LYS A 40 -8.847 6.988 3.083 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.735 5.711 4.702 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.856 5.450 2.536 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -12.090 4.854 4.167 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.200 7.415 4.673 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -12.048 7.654 3.158 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -14.109 7.253 4.086 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.513 5.969 5.119 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -12.702 8.819 5.712 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.312 8.285 6.154 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -12.754 7.964 7.966 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.329 6.462 7.423 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -11.770 6.979 6.995 1.00 2.56 H new ATOM 599 N VAL A 41 -8.450 3.613 3.329 1.00 0.23 N ATOM 600 CA VAL A 41 -7.996 2.239 3.142 1.00 0.23 C ATOM 601 C VAL A 41 -6.989 1.852 4.216 1.00 0.27 C ATOM 602 O VAL A 41 -6.723 2.621 5.137 1.00 0.33 O ATOM 603 CB VAL A 41 -7.362 2.093 1.762 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.425 2.147 0.671 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.309 3.174 1.537 1.00 0.23 C ATOM 0 H VAL A 41 -7.708 4.311 3.276 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.856 1.574 3.222 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.872 1.120 1.714 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.951 2.041 -0.305 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.138 1.336 0.818 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.947 3.103 0.719 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.869 3.053 0.547 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.775 4.157 1.609 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.530 3.086 2.294 1.00 0.23 H new ATOM 615 N SER A 42 -6.428 0.653 4.090 1.00 0.29 N ATOM 616 CA SER A 42 -5.445 0.160 5.048 1.00 0.34 C ATOM 617 C SER A 42 -4.175 -0.274 4.325 1.00 0.30 C ATOM 618 O SER A 42 -4.085 -1.398 3.831 1.00 0.36 O ATOM 619 CB SER A 42 -6.023 -1.012 5.832 1.00 0.43 C ATOM 620 OG SER A 42 -5.310 -1.192 7.048 1.00 0.93 O ATOM 0 H SER A 42 -6.638 0.004 3.332 1.00 0.29 H new ATOM 0 HA SER A 42 -5.198 0.964 5.741 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.077 -0.832 6.044 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.969 -1.921 5.233 1.00 0.43 H new ATOM 0 HG SER A 42 -5.692 -1.947 7.543 1.00 0.93 H new ATOM 626 N VAL A 43 -3.199 0.625 4.261 1.00 0.33 N ATOM 627 CA VAL A 43 -1.935 0.338 3.593 1.00 0.34 C ATOM 628 C VAL A 43 -0.852 -0.004 4.609 1.00 0.35 C ATOM 629 O VAL A 43 -0.752 0.627 5.662 1.00 0.55 O ATOM 630 CB VAL A 43 -1.503 1.541 2.758 1.00 0.49 C ATOM 631 CG1 VAL A 43 -0.171 1.268 2.065 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.578 1.901 1.737 1.00 1.25 C ATOM 0 H VAL A 43 -3.259 1.560 4.664 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.078 -0.522 2.939 1.00 0.34 H new ATOM 0 HB VAL A 43 -1.370 2.390 3.428 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.118 2.138 1.476 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.595 1.067 2.814 1.00 0.54 H new ATOM 0 HG13 VAL A 43 -0.273 0.403 1.409 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -2.251 2.761 1.152 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.747 1.053 1.073 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.505 2.146 2.256 1.00 1.25 H new ATOM 642 N ARG A 44 -0.040 -1.004 4.284 1.00 0.31 N ATOM 643 CA ARG A 44 1.043 -1.433 5.163 1.00 0.42 C ATOM 644 C ARG A 44 2.294 -1.743 4.353 1.00 0.40 C ATOM 645 O ARG A 44 2.231 -2.428 3.332 1.00 0.41 O ATOM 646 CB ARG A 44 0.616 -2.666 5.953 1.00 0.52 C ATOM 647 CG ARG A 44 -0.241 -2.291 7.157 1.00 0.78 C ATOM 648 CD ARG A 44 -1.721 -2.557 6.898 1.00 1.05 C ATOM 649 NE ARG A 44 -2.259 -3.464 7.904 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.602 -4.714 7.607 1.00 1.74 C ATOM 651 NH1 ARG A 44 -1.820 -5.449 6.828 1.00 2.27 N ATOM 652 NH2 ARG A 44 -3.727 -5.226 8.085 1.00 2.28 N ATOM 0 H ARG A 44 -0.111 -1.534 3.416 1.00 0.31 H new ATOM 0 HA ARG A 44 1.269 -0.624 5.858 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.057 -3.340 5.303 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.500 -3.208 6.289 1.00 0.52 H new ATOM 0 HG2 ARG A 44 0.085 -2.860 8.028 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -0.096 -1.237 7.393 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.274 -1.618 6.914 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.851 -2.987 5.905 1.00 1.05 H new ATOM 0 HE ARG A 44 -2.376 -3.131 8.861 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -0.955 -5.056 6.457 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -2.083 -6.408 6.600 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -4.331 -4.661 8.682 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -3.989 -6.185 7.856 1.00 2.28 H new ATOM 666 N ILE A 45 3.432 -1.233 4.814 1.00 0.46 N ATOM 667 CA ILE A 45 4.704 -1.449 4.133 1.00 0.47 C ATOM 668 C ILE A 45 5.520 -2.523 4.854 1.00 0.53 C ATOM 669 O ILE A 45 6.139 -2.255 5.884 1.00 0.64 O ATOM 670 CB ILE A 45 5.483 -0.126 4.072 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.838 0.819 3.061 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.958 -0.342 3.723 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.037 0.326 1.629 1.00 0.56 C ATOM 0 H ILE A 45 3.499 -0.666 5.659 1.00 0.46 H new ATOM 0 HA ILE A 45 4.513 -1.796 3.117 1.00 0.47 H new ATOM 0 HB ILE A 45 5.443 0.321 5.065 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.772 0.907 3.272 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.267 1.815 3.167 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.469 0.620 3.691 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.422 -0.974 4.480 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.034 -0.826 2.749 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.565 1.022 0.936 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.103 0.263 1.411 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.585 -0.659 1.517 1.00 0.56 H new ATOM 685 N PRO A 46 5.548 -3.753 4.310 1.00 0.48 N ATOM 686 CA PRO A 46 6.313 -4.848 4.903 1.00 0.58 C ATOM 687 C PRO A 46 7.793 -4.744 4.540 1.00 0.61 C ATOM 688 O PRO A 46 8.153 -4.774 3.364 1.00 0.56 O ATOM 689 CB PRO A 46 5.673 -6.096 4.302 1.00 0.57 C ATOM 690 CG PRO A 46 5.059 -5.656 3.011 1.00 0.47 C ATOM 691 CD PRO A 46 4.860 -4.162 3.075 1.00 0.41 C ATOM 0 HA PRO A 46 6.286 -4.847 5.993 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.416 -6.876 4.136 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.920 -6.511 4.972 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.704 -5.919 2.173 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.106 -6.161 2.850 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.284 -3.667 2.201 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.802 -3.903 3.106 1.00 0.41 H new ATOM 699 N PRO A 47 8.676 -4.604 5.544 1.00 0.74 N ATOM 700 CA PRO A 47 10.120 -4.479 5.305 1.00 0.81 C ATOM 701 C PRO A 47 10.749 -5.782 4.825 1.00 0.87 C ATOM 702 O PRO A 47 10.052 -6.752 4.529 1.00 1.53 O ATOM 703 CB PRO A 47 10.675 -4.055 6.662 1.00 0.98 C ATOM 704 CG PRO A 47 9.686 -4.555 7.660 1.00 1.03 C ATOM 705 CD PRO A 47 8.343 -4.548 6.979 1.00 0.85 C ATOM 0 HA PRO A 47 10.343 -3.766 4.511 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.662 -4.484 6.836 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.783 -2.972 6.723 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.946 -5.560 7.993 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.674 -3.919 8.545 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.736 -5.401 7.282 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.775 -3.650 7.223 1.00 0.85 H new ATOM 713 N ASP A 48 12.078 -5.790 4.744 1.00 1.32 N ATOM 714 CA ASP A 48 12.824 -6.962 4.293 1.00 1.46 C ATOM 715 C ASP A 48 12.311 -8.234 4.960 1.00 1.48 C ATOM 716 O ASP A 48 12.365 -8.374 6.182 1.00 2.18 O ATOM 717 CB ASP A 48 14.307 -6.778 4.600 1.00 2.16 C ATOM 718 CG ASP A 48 14.635 -7.331 5.981 1.00 2.56 C ATOM 719 OD1 ASP A 48 13.938 -6.963 6.950 1.00 3.01 O ATOM 720 OD2 ASP A 48 15.587 -8.133 6.090 1.00 3.03 O ATOM 0 H ASP A 48 12.664 -4.991 4.987 1.00 1.32 H new ATOM 0 HA ASP A 48 12.682 -7.063 3.217 1.00 1.46 H new ATOM 0 HB2 ASP A 48 14.907 -7.287 3.845 1.00 2.16 H new ATOM 0 HB3 ASP A 48 14.566 -5.720 4.554 1.00 2.16 H new ATOM 725 N SER A 49 11.819 -9.162 4.144 1.00 1.59 N ATOM 726 CA SER A 49 11.300 -10.431 4.641 1.00 2.11 C ATOM 727 C SER A 49 11.848 -11.584 3.808 1.00 1.90 C ATOM 728 O SER A 49 12.389 -12.551 4.346 1.00 2.33 O ATOM 729 CB SER A 49 9.775 -10.432 4.586 1.00 3.03 C ATOM 730 OG SER A 49 9.240 -11.300 5.574 1.00 3.81 O ATOM 0 H SER A 49 11.769 -9.057 3.131 1.00 1.59 H new ATOM 0 HA SER A 49 11.618 -10.558 5.676 1.00 2.11 H new ATOM 0 HB2 SER A 49 9.399 -9.421 4.741 1.00 3.03 H new ATOM 0 HB3 SER A 49 9.442 -10.748 3.598 1.00 3.03 H new ATOM 0 HG SER A 49 8.261 -11.287 5.526 1.00 3.81 H new ATOM 736 N GLU A 50 11.709 -11.469 2.492 1.00 1.92 N ATOM 737 CA GLU A 50 12.193 -12.492 1.573 1.00 2.27 C ATOM 738 C GLU A 50 12.877 -11.842 0.376 1.00 2.09 C ATOM 739 O GLU A 50 13.242 -10.667 0.426 1.00 2.74 O ATOM 740 CB GLU A 50 11.032 -13.366 1.104 1.00 3.06 C ATOM 741 CG GLU A 50 10.191 -13.859 2.278 1.00 3.83 C ATOM 742 CD GLU A 50 9.873 -15.340 2.115 1.00 4.43 C ATOM 743 OE1 GLU A 50 9.934 -15.839 0.972 1.00 4.97 O ATOM 744 OE2 GLU A 50 9.563 -15.997 3.131 1.00 4.75 O ATOM 0 H GLU A 50 11.263 -10.673 2.036 1.00 1.92 H new ATOM 0 HA GLU A 50 12.918 -13.118 2.093 1.00 2.27 H new ATOM 0 HB2 GLU A 50 10.403 -12.799 0.418 1.00 3.06 H new ATOM 0 HB3 GLU A 50 11.420 -14.220 0.549 1.00 3.06 H new ATOM 0 HG2 GLU A 50 10.728 -13.696 3.213 1.00 3.83 H new ATOM 0 HG3 GLU A 50 9.266 -13.286 2.338 1.00 3.83 H new ATOM 751 N LYS A 51 13.050 -12.605 -0.699 1.00 1.76 N ATOM 752 CA LYS A 51 13.694 -12.091 -1.904 1.00 1.77 C ATOM 753 C LYS A 51 13.058 -10.771 -2.328 1.00 1.55 C ATOM 754 O LYS A 51 13.722 -9.735 -2.362 1.00 2.20 O ATOM 755 CB LYS A 51 13.581 -13.110 -3.034 1.00 2.14 C ATOM 756 CG LYS A 51 14.931 -13.349 -3.705 1.00 2.60 C ATOM 757 CD LYS A 51 14.787 -14.184 -4.974 1.00 3.36 C ATOM 758 CE LYS A 51 14.029 -13.427 -6.060 1.00 4.12 C ATOM 759 NZ LYS A 51 12.760 -14.123 -6.418 1.00 4.81 N ATOM 0 H LYS A 51 12.754 -13.579 -0.761 1.00 1.76 H new ATOM 0 HA LYS A 51 14.748 -11.916 -1.686 1.00 1.77 H new ATOM 0 HB2 LYS A 51 13.197 -14.051 -2.640 1.00 2.14 H new ATOM 0 HB3 LYS A 51 12.863 -12.757 -3.774 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.391 -12.392 -3.949 1.00 2.60 H new ATOM 0 HG3 LYS A 51 15.599 -13.856 -3.009 1.00 2.60 H new ATOM 0 HD2 LYS A 51 15.775 -14.459 -5.343 1.00 3.36 H new ATOM 0 HD3 LYS A 51 14.263 -15.111 -4.743 1.00 3.36 H new ATOM 0 HE2 LYS A 51 13.808 -12.417 -5.716 1.00 4.12 H new ATOM 0 HE3 LYS A 51 14.657 -13.332 -6.946 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 12.266 -13.585 -7.159 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 12.975 -15.078 -6.769 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 12.152 -14.192 -5.577 1.00 4.81 H new ATOM 773 N SER A 52 11.768 -10.812 -2.642 1.00 1.19 N ATOM 774 CA SER A 52 11.041 -9.617 -3.055 1.00 1.04 C ATOM 775 C SER A 52 9.987 -9.257 -2.015 1.00 0.92 C ATOM 776 O SER A 52 9.461 -10.132 -1.327 1.00 1.19 O ATOM 777 CB SER A 52 10.376 -9.848 -4.408 1.00 1.25 C ATOM 778 OG SER A 52 9.415 -10.889 -4.322 1.00 2.03 O ATOM 0 H SER A 52 11.203 -11.661 -2.618 1.00 1.19 H new ATOM 0 HA SER A 52 11.748 -8.792 -3.143 1.00 1.04 H new ATOM 0 HB2 SER A 52 9.896 -8.929 -4.745 1.00 1.25 H new ATOM 0 HB3 SER A 52 11.131 -10.104 -5.151 1.00 1.25 H new ATOM 0 HG SER A 52 8.642 -10.667 -4.881 1.00 2.03 H new ATOM 784 N ASN A 53 9.686 -7.969 -1.899 1.00 0.68 N ATOM 785 CA ASN A 53 8.698 -7.501 -0.935 1.00 0.61 C ATOM 786 C ASN A 53 7.291 -7.652 -1.496 1.00 0.59 C ATOM 787 O ASN A 53 7.106 -8.033 -2.652 1.00 0.99 O ATOM 788 CB ASN A 53 8.959 -6.040 -0.577 1.00 0.60 C ATOM 789 CG ASN A 53 10.450 -5.798 -0.367 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.100 -5.128 -1.168 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.992 -6.347 0.715 1.00 1.28 N ATOM 0 H ASN A 53 10.111 -7.231 -2.460 1.00 0.68 H new ATOM 0 HA ASN A 53 8.783 -8.109 -0.034 1.00 0.61 H new ATOM 0 HB2 ASN A 53 8.588 -5.393 -1.372 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.411 -5.778 0.328 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.985 -6.220 0.908 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.415 -6.895 1.352 1.00 1.28 H new ATOM 798 N LEU A 54 6.303 -7.349 -0.664 1.00 0.55 N ATOM 799 CA LEU A 54 4.903 -7.446 -1.060 1.00 0.51 C ATOM 800 C LEU A 54 4.046 -6.523 -0.206 1.00 0.44 C ATOM 801 O LEU A 54 3.626 -6.894 0.889 1.00 0.57 O ATOM 802 CB LEU A 54 4.416 -8.881 -0.908 1.00 0.65 C ATOM 803 CG LEU A 54 3.088 -9.091 -1.623 1.00 0.82 C ATOM 804 CD1 LEU A 54 3.048 -10.458 -2.293 1.00 1.49 C ATOM 805 CD2 LEU A 54 1.923 -8.928 -0.654 1.00 1.49 C ATOM 0 H LEU A 54 6.446 -7.032 0.295 1.00 0.55 H new ATOM 0 HA LEU A 54 4.817 -7.145 -2.104 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.162 -9.566 -1.312 1.00 0.65 H new ATOM 0 HB3 LEU A 54 4.304 -9.120 0.150 1.00 0.65 H new ATOM 0 HG LEU A 54 2.993 -8.331 -2.398 1.00 0.82 H new ATOM 0 HD11 LEU A 54 2.091 -10.588 -2.798 1.00 1.49 H new ATOM 0 HD12 LEU A 54 3.855 -10.530 -3.022 1.00 1.49 H new ATOM 0 HD13 LEU A 54 3.169 -11.236 -1.539 1.00 1.49 H new ATOM 0 HD21 LEU A 54 0.984 -9.082 -1.185 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.011 -9.661 0.148 1.00 1.49 H new ATOM 0 HD23 LEU A 54 1.940 -7.924 -0.230 1.00 1.49 H new ATOM 817 N ILE A 55 3.786 -5.319 -0.707 1.00 0.31 N ATOM 818 CA ILE A 55 2.976 -4.352 0.027 1.00 0.26 C ATOM 819 C ILE A 55 1.560 -4.878 0.214 1.00 0.27 C ATOM 820 O ILE A 55 0.964 -5.430 -0.712 1.00 0.34 O ATOM 821 CB ILE A 55 2.943 -3.014 -0.707 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.359 -2.586 -1.109 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.273 -1.949 0.158 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.397 -1.154 -1.641 1.00 0.35 C ATOM 0 H ILE A 55 4.122 -4.991 -1.612 1.00 0.31 H new ATOM 0 HA ILE A 55 3.428 -4.202 1.007 1.00 0.26 H new ATOM 0 HB ILE A 55 2.355 -3.130 -1.618 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.021 -2.670 -0.247 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.740 -3.266 -1.871 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.257 -1.001 -0.379 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.252 -2.254 0.385 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.831 -1.830 1.087 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.420 -0.894 -1.913 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.756 -1.075 -2.519 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.042 -0.470 -0.870 1.00 0.35 H new ATOM 836 N ARG A 56 1.027 -4.708 1.419 1.00 0.29 N ATOM 837 CA ARG A 56 -0.320 -5.169 1.733 1.00 0.32 C ATOM 838 C ARG A 56 -1.300 -4.005 1.749 1.00 0.29 C ATOM 839 O ARG A 56 -1.119 -3.036 2.486 1.00 0.42 O ATOM 840 CB ARG A 56 -0.329 -5.872 3.087 1.00 0.42 C ATOM 841 CG ARG A 56 0.286 -7.265 2.998 1.00 0.55 C ATOM 842 CD ARG A 56 1.528 -7.390 3.877 1.00 0.84 C ATOM 843 NE ARG A 56 1.212 -7.046 5.258 1.00 1.44 N ATOM 844 CZ ARG A 56 2.162 -6.897 6.176 1.00 1.77 C ATOM 845 NH1 ARG A 56 3.118 -7.809 6.299 1.00 2.33 N ATOM 846 NH2 ARG A 56 2.159 -5.836 6.970 1.00 2.19 N ATOM 0 H ARG A 56 1.508 -4.254 2.195 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.630 -5.872 0.960 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.224 -5.275 3.812 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.353 -5.948 3.452 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.451 -8.008 3.301 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.549 -7.481 1.963 1.00 0.55 H new ATOM 0 HD2 ARG A 56 1.914 -8.408 3.829 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.313 -6.733 3.503 1.00 0.84 H new ATOM 0 HE ARG A 56 0.237 -6.916 5.527 1.00 1.44 H new ATOM 0 HH11 ARG A 56 3.125 -8.626 5.689 1.00 2.33 H new ATOM 0 HH12 ARG A 56 3.846 -7.693 7.004 1.00 2.33 H new ATOM 0 HH21 ARG A 56 1.427 -5.132 6.877 1.00 2.19 H new ATOM 0 HH22 ARG A 56 2.889 -5.724 7.674 1.00 2.19 H new ATOM 860 N ILE A 57 -2.344 -4.115 0.936 1.00 0.24 N ATOM 861 CA ILE A 57 -3.366 -3.079 0.852 1.00 0.24 C ATOM 862 C ILE A 57 -4.752 -3.698 0.969 1.00 0.26 C ATOM 863 O ILE A 57 -5.007 -4.773 0.427 1.00 0.40 O ATOM 864 CB ILE A 57 -3.248 -2.329 -0.471 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.795 -1.950 -0.745 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.134 -1.088 -0.472 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.262 -0.974 0.301 1.00 1.32 C ATOM 0 H ILE A 57 -2.505 -4.914 0.323 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.218 -2.378 1.673 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.588 -2.990 -1.268 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.179 -2.849 -0.752 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.716 -1.502 -1.735 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.033 -0.570 -1.426 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.173 -1.383 -0.328 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.830 -0.423 0.336 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.225 -0.727 0.073 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.863 -0.064 0.289 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.317 -1.433 1.288 1.00 1.32 H new ATOM 879 N GLU A 58 -5.644 -3.020 1.682 1.00 0.23 N ATOM 880 CA GLU A 58 -7.002 -3.514 1.869 1.00 0.25 C ATOM 881 C GLU A 58 -7.914 -2.409 2.378 1.00 0.24 C ATOM 882 O GLU A 58 -7.552 -1.651 3.277 1.00 0.26 O ATOM 883 CB GLU A 58 -6.999 -4.682 2.851 1.00 0.32 C ATOM 884 CG GLU A 58 -8.355 -5.379 2.901 1.00 0.37 C ATOM 885 CD GLU A 58 -8.363 -6.445 3.989 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.280 -6.747 4.534 1.00 1.56 O ATOM 887 OE2 GLU A 58 -9.451 -6.975 4.295 1.00 1.47 O ATOM 0 H GLU A 58 -5.451 -2.129 2.139 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.381 -3.855 0.905 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.231 -5.399 2.561 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.738 -4.321 3.846 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -9.140 -4.648 3.093 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.573 -5.834 1.935 1.00 0.37 H new ATOM 894 N GLY A 59 -9.103 -2.330 1.793 1.00 0.25 N ATOM 895 CA GLY A 59 -10.088 -1.327 2.169 1.00 0.27 C ATOM 896 C GLY A 59 -11.490 -1.883 1.988 1.00 0.39 C ATOM 897 O GLY A 59 -11.829 -2.925 2.550 1.00 0.59 O ATOM 0 H GLY A 59 -9.409 -2.956 1.049 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.937 -1.028 3.206 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.961 -0.433 1.558 1.00 0.27 H new ATOM 901 N ASP A 60 -12.301 -1.202 1.187 1.00 0.53 N ATOM 902 CA ASP A 60 -13.658 -1.659 0.929 1.00 0.70 C ATOM 903 C ASP A 60 -14.182 -1.101 -0.387 1.00 0.59 C ATOM 904 O ASP A 60 -14.398 -1.849 -1.341 1.00 1.04 O ATOM 905 CB ASP A 60 -14.584 -1.272 2.078 1.00 1.22 C ATOM 906 CG ASP A 60 -15.012 -2.509 2.857 1.00 1.93 C ATOM 907 OD1 ASP A 60 -16.044 -3.113 2.496 1.00 2.31 O ATOM 908 OD2 ASP A 60 -14.315 -2.872 3.828 1.00 2.66 O ATOM 0 H ASP A 60 -12.044 -0.338 0.709 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.636 -2.746 0.852 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -14.076 -0.574 2.743 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.463 -0.758 1.688 1.00 1.22 H new ATOM 913 N PRO A 61 -14.396 0.222 -0.472 1.00 0.72 N ATOM 914 CA PRO A 61 -14.895 0.842 -1.700 1.00 1.14 C ATOM 915 C PRO A 61 -13.809 0.923 -2.764 1.00 0.88 C ATOM 916 O PRO A 61 -12.774 0.265 -2.657 1.00 1.22 O ATOM 917 CB PRO A 61 -15.331 2.231 -1.248 1.00 1.82 C ATOM 918 CG PRO A 61 -14.510 2.528 -0.037 1.00 1.82 C ATOM 919 CD PRO A 61 -14.167 1.209 0.601 1.00 1.17 C ATOM 0 HA PRO A 61 -15.703 0.273 -2.160 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.160 2.971 -2.030 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.396 2.253 -1.016 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.605 3.071 -0.309 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -15.064 3.159 0.658 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -13.133 1.190 0.947 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.797 1.009 1.468 1.00 1.17 H new ATOM 927 N GLN A 62 -14.040 1.742 -3.783 1.00 0.64 N ATOM 928 CA GLN A 62 -13.070 1.919 -4.855 1.00 0.47 C ATOM 929 C GLN A 62 -11.761 2.489 -4.310 1.00 0.41 C ATOM 930 O GLN A 62 -10.734 2.461 -4.984 1.00 0.47 O ATOM 931 CB GLN A 62 -13.637 2.857 -5.918 1.00 0.69 C ATOM 932 CG GLN A 62 -14.027 2.104 -7.187 1.00 0.85 C ATOM 933 CD GLN A 62 -14.599 3.069 -8.218 1.00 1.34 C ATOM 934 OE1 GLN A 62 -13.942 4.031 -8.614 1.00 2.14 O ATOM 935 NE2 GLN A 62 -15.827 2.811 -8.654 1.00 1.73 N ATOM 0 H GLN A 62 -14.891 2.294 -3.889 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.867 0.945 -5.301 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.510 3.374 -5.519 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.898 3.621 -6.161 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -13.155 1.595 -7.599 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -14.763 1.335 -6.951 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.335 2.001 -8.298 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.262 3.422 -9.345 1.00 1.73 H new ATOM 944 N GLY A 63 -11.803 3.021 -3.089 1.00 0.37 N ATOM 945 CA GLY A 63 -10.626 3.607 -2.464 1.00 0.34 C ATOM 946 C GLY A 63 -9.466 2.619 -2.379 1.00 0.27 C ATOM 947 O GLY A 63 -8.314 3.000 -2.575 1.00 0.29 O ATOM 0 H GLY A 63 -12.645 3.056 -2.514 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.314 4.483 -3.032 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.882 3.951 -1.462 1.00 0.34 H new ATOM 951 N VAL A 64 -9.756 1.355 -2.066 1.00 0.24 N ATOM 952 CA VAL A 64 -8.699 0.355 -1.942 1.00 0.21 C ATOM 953 C VAL A 64 -8.013 0.098 -3.283 1.00 0.24 C ATOM 954 O VAL A 64 -6.784 0.071 -3.359 1.00 0.28 O ATOM 955 CB VAL A 64 -9.232 -0.956 -1.339 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.958 -1.821 -2.368 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.077 -1.735 -0.719 1.00 0.26 C ATOM 0 H VAL A 64 -10.699 1.005 -1.896 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.953 0.758 -1.257 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.963 -0.695 -0.573 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.314 -2.734 -1.890 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.806 -1.269 -2.773 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.273 -2.078 -3.176 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.453 -2.664 -0.291 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.338 -1.962 -1.487 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.614 -1.136 0.065 1.00 0.26 H new ATOM 967 N GLN A 65 -8.800 -0.094 -4.337 1.00 0.25 N ATOM 968 CA GLN A 65 -8.238 -0.350 -5.660 1.00 0.30 C ATOM 969 C GLN A 65 -7.628 0.925 -6.231 1.00 0.30 C ATOM 970 O GLN A 65 -6.677 0.875 -7.012 1.00 0.34 O ATOM 971 CB GLN A 65 -9.314 -0.906 -6.598 1.00 0.37 C ATOM 972 CG GLN A 65 -10.301 0.166 -7.055 1.00 0.42 C ATOM 973 CD GLN A 65 -10.156 0.414 -8.550 1.00 0.78 C ATOM 974 OE1 GLN A 65 -9.105 0.852 -9.018 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.213 0.134 -9.303 1.00 0.82 N ATOM 0 H GLN A 65 -9.819 -0.078 -4.303 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.448 -1.096 -5.567 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -8.836 -1.351 -7.471 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.857 -1.703 -6.091 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.320 -0.148 -6.829 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.123 1.091 -6.507 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.064 -0.227 -8.873 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -11.174 0.280 -10.312 1.00 0.82 H new ATOM 984 N GLN A 66 -8.178 2.067 -5.831 1.00 0.29 N ATOM 985 CA GLN A 66 -7.688 3.359 -6.294 1.00 0.31 C ATOM 986 C GLN A 66 -6.340 3.669 -5.658 1.00 0.29 C ATOM 987 O GLN A 66 -5.342 3.850 -6.355 1.00 0.36 O ATOM 988 CB GLN A 66 -8.691 4.453 -5.950 1.00 0.35 C ATOM 989 CG GLN A 66 -9.941 4.353 -6.820 1.00 0.79 C ATOM 990 CD GLN A 66 -9.934 5.439 -7.888 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.690 6.610 -7.597 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.201 5.050 -9.130 1.00 1.31 N ATOM 0 H GLN A 66 -8.966 2.123 -5.185 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.565 3.319 -7.376 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -8.970 4.376 -4.899 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.228 5.430 -6.086 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.986 3.371 -7.291 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.832 4.450 -6.200 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -10.398 4.068 -9.326 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -10.209 5.733 -9.888 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.315 3.724 -4.329 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.085 4.006 -3.600 1.00 0.27 C ATOM 1003 C ALA A 67 -4.023 2.971 -3.945 1.00 0.26 C ATOM 1004 O ALA A 67 -2.829 3.268 -3.951 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.349 3.997 -2.097 1.00 0.29 C ATOM 0 H ALA A 67 -7.132 3.577 -3.737 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.726 4.994 -3.890 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.422 4.209 -1.564 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -6.090 4.758 -1.853 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.723 3.018 -1.799 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.470 1.755 -4.241 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.564 0.670 -4.598 1.00 0.28 C ATOM 1013 C LYS A 68 -2.792 1.031 -5.863 1.00 0.31 C ATOM 1014 O LYS A 68 -1.614 1.387 -5.805 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.359 -0.618 -4.810 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.468 -1.773 -5.263 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.204 -2.710 -6.218 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.272 -3.268 -7.288 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.995 -3.496 -8.570 1.00 0.88 N ATOM 0 H LYS A 68 -5.457 1.496 -4.241 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.852 0.515 -3.788 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.862 -0.890 -3.882 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.136 -0.446 -5.555 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.579 -1.377 -5.754 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.128 -2.334 -4.392 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -4.645 -3.532 -5.654 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -5.025 -2.174 -6.694 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.447 -2.575 -7.452 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.837 -4.206 -6.942 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.335 -3.876 -9.278 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.767 -4.176 -8.417 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.389 -2.596 -8.911 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.467 0.943 -7.006 1.00 0.36 N ATOM 1034 CA ARG A 69 -2.851 1.265 -8.287 1.00 0.43 C ATOM 1035 C ARG A 69 -2.176 2.629 -8.226 1.00 0.42 C ATOM 1036 O ARG A 69 -1.174 2.868 -8.901 1.00 0.46 O ATOM 1037 CB ARG A 69 -3.908 1.261 -9.387 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.273 1.270 -10.772 1.00 1.02 C ATOM 1039 CD ARG A 69 -3.668 2.514 -11.565 1.00 1.36 C ATOM 1040 NE ARG A 69 -5.082 2.464 -11.919 1.00 1.81 N ATOM 1041 CZ ARG A 69 -5.717 3.523 -12.412 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -5.750 4.657 -11.726 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -6.319 3.448 -13.591 1.00 2.98 N ATOM 0 H ARG A 69 -4.442 0.651 -7.070 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.096 0.511 -8.509 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -4.541 0.380 -9.282 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.553 2.132 -9.276 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -2.188 1.229 -10.675 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.578 0.378 -11.318 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -3.466 3.408 -10.975 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -3.063 2.584 -12.469 1.00 1.36 H new ATOM 0 HE ARG A 69 -5.597 1.594 -11.785 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -5.288 4.718 -10.819 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -6.238 5.469 -12.105 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -6.295 2.577 -14.121 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -6.806 4.261 -13.968 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.730 3.523 -7.413 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.182 4.866 -7.260 1.00 0.43 C ATOM 1059 C GLU A 70 -0.744 4.801 -6.765 1.00 0.44 C ATOM 1060 O GLU A 70 0.119 5.545 -7.232 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.034 5.669 -6.280 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.532 7.103 -6.142 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.316 8.031 -7.062 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.825 7.551 -8.097 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -3.418 9.235 -6.747 1.00 1.38 O ATOM 0 H GLU A 70 -3.560 3.341 -6.849 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.194 5.359 -8.232 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.070 5.677 -6.619 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -3.022 5.183 -5.304 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.635 7.433 -5.108 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.471 7.149 -6.387 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.491 3.904 -5.818 1.00 0.40 N ATOM 1073 CA LEU A 71 0.846 3.738 -5.260 1.00 0.47 C ATOM 1074 C LEU A 71 1.781 3.139 -6.300 1.00 0.52 C ATOM 1075 O LEU A 71 2.929 3.562 -6.436 1.00 0.60 O ATOM 1076 CB LEU A 71 0.791 2.833 -4.035 1.00 0.51 C ATOM 1077 CG LEU A 71 -0.017 3.467 -2.905 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.776 2.400 -2.123 1.00 1.08 C ATOM 1079 CD2 LEU A 71 0.892 4.271 -1.980 1.00 1.15 C ATOM 0 H LEU A 71 -1.194 3.281 -5.421 1.00 0.40 H new ATOM 0 HA LEU A 71 1.225 4.717 -4.966 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.347 1.876 -4.308 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.804 2.627 -3.688 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.745 4.149 -3.345 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.345 2.872 -1.322 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.457 1.874 -2.792 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.068 1.690 -1.695 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.298 4.715 -1.181 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.646 3.613 -1.548 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.383 5.061 -2.549 1.00 1.15 H new ATOM 1091 N LEU A 72 1.284 2.150 -7.034 1.00 0.52 N ATOM 1092 CA LEU A 72 2.076 1.490 -8.066 1.00 0.63 C ATOM 1093 C LEU A 72 2.453 2.476 -9.165 1.00 0.67 C ATOM 1094 O LEU A 72 3.465 2.303 -9.845 1.00 0.83 O ATOM 1095 CB LEU A 72 1.291 0.327 -8.661 1.00 0.66 C ATOM 1096 CG LEU A 72 1.038 -0.767 -7.627 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.419 -1.218 -7.664 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.975 -1.949 -7.853 1.00 1.04 C ATOM 0 H LEU A 72 0.336 1.787 -6.934 1.00 0.52 H new ATOM 0 HA LEU A 72 2.990 1.110 -7.610 1.00 0.63 H new ATOM 0 HB2 LEU A 72 0.339 0.690 -9.048 1.00 0.66 H new ATOM 0 HB3 LEU A 72 1.840 -0.089 -9.505 1.00 0.66 H new ATOM 0 HG LEU A 72 1.241 -0.355 -6.638 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.577 -1.998 -6.919 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.068 -0.370 -7.445 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -0.654 -1.609 -8.654 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.778 -2.717 -7.105 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.808 -2.360 -8.849 1.00 1.04 H new ATOM 0 HD23 LEU A 72 3.009 -1.615 -7.767 1.00 1.04 H new ATOM 1110 N GLU A 73 1.635 3.509 -9.336 1.00 0.64 N ATOM 1111 CA GLU A 73 1.882 4.521 -10.356 1.00 0.74 C ATOM 1112 C GLU A 73 2.775 5.628 -9.808 1.00 0.71 C ATOM 1113 O GLU A 73 3.975 5.660 -10.077 1.00 0.88 O ATOM 1114 CB GLU A 73 0.560 5.115 -10.835 1.00 0.82 C ATOM 1115 CG GLU A 73 0.082 4.458 -12.127 1.00 1.00 C ATOM 1116 CD GLU A 73 0.681 5.167 -13.335 1.00 1.41 C ATOM 1117 OE1 GLU A 73 1.622 5.968 -13.150 1.00 2.05 O ATOM 1118 OE2 GLU A 73 0.209 4.921 -14.465 1.00 2.01 O ATOM 0 H GLU A 73 0.794 3.667 -8.781 1.00 0.64 H new ATOM 0 HA GLU A 73 2.389 4.046 -11.196 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.197 4.989 -10.061 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.679 6.187 -10.994 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.368 3.406 -12.135 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.006 4.493 -12.179 1.00 1.00 H new ATOM 1125 N LEU A 74 2.179 6.536 -9.043 1.00 0.64 N ATOM 1126 CA LEU A 74 2.917 7.651 -8.459 1.00 0.71 C ATOM 1127 C LEU A 74 3.801 7.174 -7.315 1.00 0.82 C ATOM 1128 O LEU A 74 4.944 7.612 -7.178 1.00 1.13 O ATOM 1129 CB LEU A 74 1.943 8.709 -7.948 1.00 0.85 C ATOM 1130 CG LEU A 74 1.300 9.482 -9.094 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.182 9.721 -8.818 1.00 1.19 C ATOM 1132 CD2 LEU A 74 2.026 10.803 -9.328 1.00 1.32 C ATOM 0 H LEU A 74 1.186 6.522 -8.812 1.00 0.64 H new ATOM 0 HA LEU A 74 3.552 8.084 -9.232 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.167 8.231 -7.350 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.469 9.402 -7.292 1.00 0.85 H new ATOM 0 HG LEU A 74 1.385 8.882 -10.000 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.622 10.274 -9.648 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.691 8.763 -8.710 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.293 10.297 -7.899 1.00 1.19 H new ATOM 0 HD21 LEU A 74 1.551 11.339 -10.150 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.978 11.410 -8.424 1.00 1.32 H new ATOM 0 HD23 LEU A 74 3.069 10.606 -9.578 1.00 1.32 H new ATOM 1144 N ALA A 75 3.268 6.280 -6.489 1.00 0.78 N ATOM 1145 CA ALA A 75 4.010 5.753 -5.350 1.00 0.99 C ATOM 1146 C ALA A 75 4.519 6.894 -4.478 1.00 1.70 C ATOM 1147 O ALA A 75 5.707 6.967 -4.164 1.00 2.16 O ATOM 1148 CB ALA A 75 5.183 4.905 -5.836 1.00 1.14 C ATOM 0 H ALA A 75 2.324 5.905 -6.587 1.00 0.78 H new ATOM 0 HA ALA A 75 3.342 5.128 -4.757 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.731 4.516 -4.978 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.808 4.074 -6.434 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.848 5.518 -6.444 1.00 1.14 H new ATOM 1154 N SER A 76 3.611 7.785 -4.092 1.00 2.17 N ATOM 1155 CA SER A 76 3.960 8.929 -3.258 1.00 3.01 C ATOM 1156 C SER A 76 4.087 8.508 -1.799 1.00 3.57 C ATOM 1157 O SER A 76 4.074 9.396 -0.920 1.00 4.23 O ATOM 1158 CB SER A 76 2.898 10.014 -3.392 1.00 3.63 C ATOM 1159 OG SER A 76 3.510 11.293 -3.491 1.00 4.36 O ATOM 1160 OXT SER A 76 4.199 7.292 -1.538 1.00 3.89 O ATOM 0 H SER A 76 2.624 7.736 -4.345 1.00 2.17 H new ATOM 0 HA SER A 76 4.920 9.322 -3.593 1.00 3.01 H new ATOM 0 HB2 SER A 76 2.286 9.827 -4.274 1.00 3.63 H new ATOM 0 HB3 SER A 76 2.231 9.988 -2.530 1.00 3.63 H new ATOM 0 HG SER A 76 2.818 11.981 -3.578 1.00 4.36 H new TER 1166 SER A 76