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 36 LYS NZ :NH3+ 151:sc= 0.34 (180deg=0) USER MOD Set 1.2: A 42 SER OG : rot 180:sc= 0.314 USER MOD Set 2.1: A 21 HIS : no HD1:sc= -8.62! C(o=-13!,f=-12!) USER MOD Set 2.2: A 53 ASN : amide:sc= -4.31! C(o=-13!,f=-16!) USER MOD Single : A 7 ASN : amide:sc= -2.43! K(o=-2.4!,f=-1) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.949 K(o=-0.95,f=-1.5) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0458 X(o=-0.046,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.327 K(o=-0.33,f=-2.7!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.47) USER MOD Single : A 39 TYR OH : rot 156:sc= -0.4 USER MOD Single : A 40 LYS NZ :NH3+ 160:sc= -0.125 (180deg=-0.633) 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 52 SER OG : rot 3:sc= 0.988 USER MOD Single : A 62 GLN : amide:sc= 0.855 K(o=0.85,f=-7.7!) USER MOD Single : A 65 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.56) USER MOD Single : A 66 GLN : amide:sc= -0.38 K(o=-0.38,f=-2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0099 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -17.494 -8.904 -2.144 1.00 6.51 N ATOM 2 CA ILE A 6 -16.507 -8.145 -1.385 1.00 5.95 C ATOM 3 C ILE A 6 -16.483 -6.692 -1.844 1.00 5.14 C ATOM 4 O ILE A 6 -15.579 -6.274 -2.568 1.00 5.46 O ATOM 5 CB ILE A 6 -15.125 -8.765 -1.561 1.00 6.67 C ATOM 6 CG1 ILE A 6 -14.842 -9.039 -3.036 1.00 7.44 C ATOM 7 CG2 ILE A 6 -14.999 -10.049 -0.746 1.00 6.84 C ATOM 8 CD1 ILE A 6 -13.385 -9.436 -3.262 1.00 8.10 C ATOM 0 HA ILE A 6 -16.783 -8.175 -0.331 1.00 5.95 H new ATOM 0 HB ILE A 6 -14.385 -8.053 -1.194 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -15.496 -9.835 -3.391 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -15.073 -8.150 -3.623 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -14.005 -10.473 -0.887 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -15.152 -9.826 0.310 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -15.750 -10.766 -1.078 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -13.219 -9.624 -4.323 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -12.732 -8.629 -2.930 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -13.162 -10.340 -2.695 1.00 8.10 H new ATOM 20 N ASN A 7 -17.481 -5.926 -1.417 1.00 4.48 N ATOM 21 CA ASN A 7 -17.576 -4.517 -1.784 1.00 4.06 C ATOM 22 C ASN A 7 -17.149 -3.629 -0.622 1.00 3.11 C ATOM 23 O ASN A 7 -16.461 -2.627 -0.816 1.00 3.46 O ATOM 24 CB ASN A 7 -19.006 -4.180 -2.197 1.00 4.82 C ATOM 25 CG ASN A 7 -19.996 -4.731 -1.178 1.00 5.60 C ATOM 26 OD1 ASN A 7 -20.602 -5.782 -1.392 1.00 5.87 O ATOM 27 ND2 ASN A 7 -20.160 -4.023 -0.067 1.00 6.34 N ATOM 0 H ASN A 7 -18.236 -6.257 -0.816 1.00 4.48 H new ATOM 0 HA ASN A 7 -16.907 -4.334 -2.625 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -19.123 -3.099 -2.280 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -19.216 -4.599 -3.181 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -20.809 -4.344 0.651 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -19.637 -3.158 0.068 1.00 6.34 H new ATOM 34 N ARG A 8 -17.559 -4.003 0.586 1.00 2.49 N ATOM 35 CA ARG A 8 -17.218 -3.239 1.781 1.00 2.11 C ATOM 36 C ARG A 8 -16.078 -3.908 2.538 1.00 1.69 C ATOM 37 O ARG A 8 -15.947 -3.749 3.751 1.00 2.38 O ATOM 38 CB ARG A 8 -18.437 -3.115 2.688 1.00 2.95 C ATOM 39 CG ARG A 8 -19.053 -1.721 2.608 1.00 3.61 C ATOM 40 CD ARG A 8 -20.348 -1.633 3.410 1.00 4.57 C ATOM 41 NE ARG A 8 -20.847 -0.263 3.420 1.00 5.39 N ATOM 42 CZ ARG A 8 -21.801 0.139 2.587 1.00 6.19 C ATOM 43 NH1 ARG A 8 -21.944 -0.449 1.408 1.00 6.68 N ATOM 44 NH2 ARG A 8 -22.610 1.131 2.932 1.00 6.74 N ATOM 0 H ARG A 8 -18.128 -4.831 0.763 1.00 2.49 H new ATOM 0 HA ARG A 8 -16.896 -2.244 1.473 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -19.181 -3.860 2.404 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -18.149 -3.328 3.717 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -18.341 -0.986 2.983 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -19.252 -1.469 1.566 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -21.097 -2.296 2.978 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -20.174 -1.971 4.432 1.00 4.57 H new ATOM 0 HE ARG A 8 -20.454 0.404 4.084 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -21.321 -1.211 1.139 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -22.677 -0.140 0.769 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -22.501 1.587 3.838 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -23.342 1.438 2.291 1.00 6.74 H new ATOM 58 N MET A 9 -15.254 -4.656 1.812 1.00 1.18 N ATOM 59 CA MET A 9 -14.120 -5.354 2.407 1.00 0.82 C ATOM 60 C MET A 9 -13.300 -6.042 1.326 1.00 0.72 C ATOM 61 O MET A 9 -13.598 -7.168 0.931 1.00 0.97 O ATOM 62 CB MET A 9 -14.612 -6.386 3.416 1.00 1.08 C ATOM 63 CG MET A 9 -14.645 -5.818 4.830 1.00 1.61 C ATOM 64 SD MET A 9 -13.977 -6.959 6.051 1.00 2.27 S ATOM 65 CE MET A 9 -13.301 -5.809 7.259 1.00 2.82 C ATOM 0 H MET A 9 -15.351 -4.795 0.806 1.00 1.18 H new ATOM 0 HA MET A 9 -13.491 -4.625 2.919 1.00 0.82 H new ATOM 0 HB2 MET A 9 -15.610 -6.723 3.135 1.00 1.08 H new ATOM 0 HB3 MET A 9 -13.961 -7.260 3.390 1.00 1.08 H new ATOM 0 HG2 MET A 9 -14.076 -4.889 4.857 1.00 1.61 H new ATOM 0 HG3 MET A 9 -15.673 -5.570 5.094 1.00 1.61 H new ATOM 0 HE1 MET A 9 -12.850 -6.367 8.080 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.543 -5.186 6.784 1.00 2.82 H new ATOM 0 HE3 MET A 9 -14.100 -5.176 7.646 1.00 2.82 H new ATOM 75 N ASP A 10 -12.266 -5.358 0.846 1.00 0.49 N ATOM 76 CA ASP A 10 -11.408 -5.909 -0.195 1.00 0.42 C ATOM 77 C ASP A 10 -9.942 -5.788 0.193 1.00 0.38 C ATOM 78 O ASP A 10 -9.551 -4.879 0.924 1.00 0.54 O ATOM 79 CB ASP A 10 -11.660 -5.186 -1.518 1.00 0.44 C ATOM 80 CG ASP A 10 -12.791 -4.173 -1.375 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.966 -4.594 -1.339 1.00 1.55 O ATOM 82 OD2 ASP A 10 -12.498 -2.961 -1.297 1.00 1.53 O ATOM 0 H ASP A 10 -12.003 -4.424 1.161 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.647 -6.966 -0.313 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -10.750 -4.679 -1.840 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.911 -5.911 -2.292 1.00 0.44 H new ATOM 87 N TYR A 11 -9.137 -6.714 -0.315 1.00 0.40 N ATOM 88 CA TYR A 11 -7.705 -6.731 -0.043 1.00 0.37 C ATOM 89 C TYR A 11 -6.936 -7.104 -1.306 1.00 0.34 C ATOM 90 O TYR A 11 -7.494 -7.705 -2.225 1.00 0.38 O ATOM 91 CB TYR A 11 -7.395 -7.728 1.073 1.00 0.42 C ATOM 92 CG TYR A 11 -7.562 -9.167 0.651 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.827 -9.717 0.538 1.00 0.54 C ATOM 94 CD2 TYR A 11 -6.450 -9.941 0.373 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.979 -11.035 0.148 1.00 0.63 C ATOM 96 CE2 TYR A 11 -6.602 -11.260 -0.016 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.870 -11.804 -0.117 1.00 0.67 C ATOM 98 OH TYR A 11 -8.017 -13.113 -0.515 1.00 0.78 O ATOM 0 H TYR A 11 -9.456 -7.469 -0.923 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.396 -5.736 0.277 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.372 -7.573 1.415 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -8.049 -7.527 1.922 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.697 -9.115 0.755 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -5.461 -9.515 0.460 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.967 -11.460 0.052 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -5.734 -11.863 -0.240 1.00 0.67 H new ATOM 0 HH TYR A 11 -7.134 -13.511 -0.662 1.00 0.78 H new ATOM 108 N VAL A 12 -5.658 -6.746 -1.349 1.00 0.34 N ATOM 109 CA VAL A 12 -4.824 -7.048 -2.506 1.00 0.34 C ATOM 110 C VAL A 12 -3.381 -6.638 -2.250 1.00 0.35 C ATOM 111 O VAL A 12 -3.117 -5.638 -1.581 1.00 0.51 O ATOM 112 CB VAL A 12 -5.361 -6.322 -3.736 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.465 -4.822 -3.473 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.483 -6.596 -4.955 1.00 0.81 C ATOM 0 H VAL A 12 -5.178 -6.248 -0.599 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.851 -8.123 -2.682 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.360 -6.703 -3.946 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.850 -4.323 -4.362 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -6.141 -4.645 -2.636 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.479 -4.426 -3.232 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.886 -6.068 -5.819 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.469 -6.249 -4.758 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.467 -7.667 -5.159 1.00 0.81 H new ATOM 124 N GLU A 13 -2.448 -7.416 -2.789 1.00 0.49 N ATOM 125 CA GLU A 13 -1.026 -7.137 -2.623 1.00 0.54 C ATOM 126 C GLU A 13 -0.441 -6.582 -3.916 1.00 0.50 C ATOM 127 O GLU A 13 -1.033 -6.720 -4.986 1.00 0.60 O ATOM 128 CB GLU A 13 -0.288 -8.411 -2.226 1.00 0.67 C ATOM 129 CG GLU A 13 -0.631 -9.574 -3.153 1.00 1.05 C ATOM 130 CD GLU A 13 -1.598 -10.531 -2.466 1.00 1.43 C ATOM 131 OE1 GLU A 13 -1.449 -10.754 -1.246 1.00 1.97 O ATOM 132 OE2 GLU A 13 -2.502 -11.057 -3.150 1.00 2.05 O ATOM 0 H GLU A 13 -2.652 -8.246 -3.346 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.906 -6.393 -1.835 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.787 -8.231 -2.250 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -0.544 -8.675 -1.200 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.076 -9.195 -4.073 1.00 1.05 H new ATOM 0 HG3 GLU A 13 0.279 -10.105 -3.434 1.00 1.05 H new ATOM 139 N ILE A 14 0.727 -5.956 -3.810 1.00 0.48 N ATOM 140 CA ILE A 14 1.394 -5.381 -4.974 1.00 0.49 C ATOM 141 C ILE A 14 2.848 -5.829 -5.036 1.00 0.48 C ATOM 142 O ILE A 14 3.615 -5.620 -4.093 1.00 0.43 O ATOM 143 CB ILE A 14 1.333 -3.854 -4.931 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.528 -3.341 -3.507 1.00 0.51 C ATOM 145 CG2 ILE A 14 0.016 -3.344 -5.507 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.578 -1.817 -3.459 1.00 0.63 C ATOM 0 H ILE A 14 1.231 -5.834 -2.932 1.00 0.48 H new ATOM 0 HA ILE A 14 0.874 -5.734 -5.865 1.00 0.49 H new ATOM 0 HB ILE A 14 2.146 -3.470 -5.547 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.714 -3.699 -2.877 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.452 -3.749 -3.096 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.002 -2.255 -5.465 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.078 -3.669 -6.543 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.815 -3.744 -4.925 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.718 -1.490 -2.429 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.408 -1.461 -4.069 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.644 -1.410 -3.845 1.00 0.63 H new ATOM 158 N ASN A 15 3.221 -6.440 -6.157 1.00 0.59 N ATOM 159 CA ASN A 15 4.584 -6.914 -6.357 1.00 0.62 C ATOM 160 C ASN A 15 5.527 -5.731 -6.521 1.00 0.60 C ATOM 161 O ASN A 15 5.556 -5.089 -7.571 1.00 0.78 O ATOM 162 CB ASN A 15 4.652 -7.806 -7.594 1.00 0.79 C ATOM 163 CG ASN A 15 5.699 -8.895 -7.408 1.00 1.31 C ATOM 164 OD1 ASN A 15 6.718 -8.917 -8.099 1.00 2.20 O ATOM 165 ND2 ASN A 15 5.450 -9.803 -6.471 1.00 1.54 N ATOM 0 H ASN A 15 2.595 -6.618 -6.942 1.00 0.59 H new ATOM 0 HA ASN A 15 4.887 -7.493 -5.485 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.677 -8.258 -7.778 1.00 0.79 H new ATOM 0 HB3 ASN A 15 4.895 -7.205 -8.470 1.00 0.79 H new ATOM 0 HD21 ASN A 15 6.116 -10.556 -6.301 1.00 1.54 H new ATOM 0 HD22 ASN A 15 4.593 -9.747 -5.921 1.00 1.54 H new ATOM 172 N ILE A 16 6.287 -5.439 -5.473 1.00 0.49 N ATOM 173 CA ILE A 16 7.223 -4.324 -5.494 1.00 0.49 C ATOM 174 C ILE A 16 8.662 -4.826 -5.458 1.00 0.56 C ATOM 175 O ILE A 16 8.939 -5.908 -4.939 1.00 0.66 O ATOM 176 CB ILE A 16 6.945 -3.408 -4.304 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.536 -2.824 -4.401 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.980 -2.292 -4.207 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.425 -1.817 -5.543 1.00 0.84 C ATOM 0 H ILE A 16 6.273 -5.961 -4.597 1.00 0.49 H new ATOM 0 HA ILE A 16 7.088 -3.763 -6.419 1.00 0.49 H new ATOM 0 HB ILE A 16 7.016 -4.007 -3.396 1.00 0.48 H new ATOM 0 HG12 ILE A 16 4.817 -3.629 -4.553 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.277 -2.339 -3.460 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.753 -1.659 -3.350 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.972 -2.726 -4.085 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.956 -1.693 -5.117 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.410 -1.422 -5.582 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.126 -0.999 -5.377 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.660 -2.310 -6.487 1.00 0.84 H new ATOM 191 N ASP A 17 9.573 -4.037 -6.019 1.00 0.63 N ATOM 192 CA ASP A 17 10.985 -4.399 -6.059 1.00 0.75 C ATOM 193 C ASP A 17 11.593 -4.358 -4.661 1.00 1.00 C ATOM 194 O ASP A 17 11.703 -5.387 -3.994 1.00 1.75 O ATOM 195 CB ASP A 17 11.739 -3.449 -6.985 1.00 1.27 C ATOM 196 CG ASP A 17 11.999 -4.113 -8.331 1.00 1.63 C ATOM 197 OD1 ASP A 17 11.235 -5.030 -8.699 1.00 2.16 O ATOM 198 OD2 ASP A 17 12.966 -3.716 -9.015 1.00 2.21 O ATOM 0 H ASP A 17 9.357 -3.140 -6.454 1.00 0.63 H new ATOM 0 HA ASP A 17 11.071 -5.416 -6.441 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.161 -2.536 -7.128 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.685 -3.159 -6.527 1.00 1.27 H new ATOM 203 N HIS A 18 11.990 -3.167 -4.221 1.00 1.27 N ATOM 204 CA HIS A 18 12.589 -3.000 -2.900 1.00 1.85 C ATOM 205 C HIS A 18 12.581 -1.535 -2.481 1.00 1.32 C ATOM 206 O HIS A 18 12.092 -1.192 -1.404 1.00 2.00 O ATOM 207 CB HIS A 18 14.022 -3.529 -2.896 1.00 2.83 C ATOM 208 CG HIS A 18 14.750 -3.277 -4.182 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.710 -4.136 -5.249 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.550 -2.256 -4.585 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.435 -3.683 -6.245 1.00 4.73 C ATOM 212 NE2 HIS A 18 15.966 -2.530 -5.875 1.00 4.84 N ATOM 0 H HIS A 18 11.908 -2.304 -4.759 1.00 1.27 H new ATOM 0 HA HIS A 18 11.994 -3.570 -2.186 1.00 1.85 H new ATOM 0 HB2 HIS A 18 14.572 -3.063 -2.078 1.00 2.83 H new ATOM 0 HB3 HIS A 18 14.006 -4.601 -2.700 1.00 2.83 H new ATOM 0 HD2 HIS A 18 15.814 -1.386 -4.002 1.00 4.16 H new ATOM 0 HE1 HIS A 18 15.574 -4.168 -7.200 1.00 4.73 H new ATOM 0 HE2 HIS A 18 16.577 -1.944 -6.443 1.00 4.84 H new ATOM 220 N LYS A 19 13.124 -0.673 -3.335 1.00 0.82 N ATOM 221 CA LYS A 19 13.179 0.756 -3.050 1.00 0.84 C ATOM 222 C LYS A 19 11.778 1.353 -3.060 1.00 0.77 C ATOM 223 O LYS A 19 11.437 2.147 -3.938 1.00 1.13 O ATOM 224 CB LYS A 19 14.052 1.463 -4.083 1.00 1.47 C ATOM 225 CG LYS A 19 15.492 1.606 -3.598 1.00 1.97 C ATOM 226 CD LYS A 19 16.434 1.975 -4.740 1.00 2.72 C ATOM 227 CE LYS A 19 17.487 2.987 -4.294 1.00 3.37 C ATOM 228 NZ LYS A 19 18.826 2.349 -4.155 1.00 4.03 N ATOM 0 H LYS A 19 13.532 -0.940 -4.231 1.00 0.82 H new ATOM 0 HA LYS A 19 13.613 0.896 -2.060 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.036 0.903 -5.018 1.00 1.47 H new ATOM 0 HB3 LYS A 19 13.639 2.449 -4.295 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.541 2.371 -2.823 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.818 0.670 -3.144 1.00 1.97 H new ATOM 0 HD2 LYS A 19 16.926 1.076 -5.111 1.00 2.72 H new ATOM 0 HD3 LYS A 19 15.859 2.389 -5.568 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.543 3.800 -5.018 1.00 3.37 H new ATOM 0 HE3 LYS A 19 17.191 3.427 -3.342 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.520 3.061 -3.851 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.777 1.589 -3.447 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 19.117 1.950 -5.070 1.00 4.03 H new ATOM 242 N PHE A 20 10.967 0.963 -2.082 1.00 0.63 N ATOM 243 CA PHE A 20 9.598 1.455 -1.980 1.00 0.61 C ATOM 244 C PHE A 20 9.187 1.605 -0.524 1.00 0.62 C ATOM 245 O PHE A 20 8.761 2.676 -0.095 1.00 0.95 O ATOM 246 CB PHE A 20 8.646 0.492 -2.676 1.00 0.62 C ATOM 247 CG PHE A 20 8.691 0.600 -4.175 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.753 0.063 -4.882 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.666 1.237 -4.853 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.791 0.163 -6.260 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.703 1.339 -6.231 1.00 1.17 C ATOM 252 CZ PHE A 20 8.767 0.801 -6.937 1.00 1.19 C ATOM 0 H PHE A 20 11.235 0.307 -1.348 1.00 0.63 H new ATOM 0 HA PHE A 20 9.550 2.431 -2.463 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.893 -0.529 -2.383 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.629 0.685 -2.334 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.554 -0.435 -4.356 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.835 1.655 -4.304 1.00 0.96 H new ATOM 0 HE1 PHE A 20 10.621 -0.257 -6.809 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.903 1.838 -6.757 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.797 0.880 -8.014 1.00 1.19 H new ATOM 262 N HIS A 21 9.305 0.519 0.229 1.00 0.53 N ATOM 263 CA HIS A 21 8.935 0.519 1.638 1.00 0.57 C ATOM 264 C HIS A 21 9.582 1.688 2.369 1.00 0.69 C ATOM 265 O HIS A 21 8.927 2.694 2.648 1.00 1.03 O ATOM 266 CB HIS A 21 9.347 -0.801 2.283 1.00 0.54 C ATOM 267 CG HIS A 21 8.576 -1.970 1.753 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.164 -3.017 2.534 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.119 -2.261 0.507 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.495 -3.897 1.827 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.448 -3.468 0.576 1.00 0.42 N ATOM 0 H HIS A 21 9.655 -0.376 -0.114 1.00 0.53 H new ATOM 0 HA HIS A 21 7.853 0.630 1.712 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.411 -0.966 2.114 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.202 -0.734 3.361 1.00 0.54 H new ATOM 0 HD2 HIS A 21 8.255 -1.658 -0.378 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.059 -4.812 2.201 1.00 0.45 H new ATOM 0 HE2 HIS A 21 6.995 -3.945 -0.203 1.00 0.42 H new ATOM 279 N ARG A 22 10.866 1.557 2.678 1.00 0.68 N ATOM 280 CA ARG A 22 11.592 2.610 3.377 1.00 0.80 C ATOM 281 C ARG A 22 11.460 3.933 2.632 1.00 0.81 C ATOM 282 O ARG A 22 11.560 5.005 3.230 1.00 0.92 O ATOM 283 CB ARG A 22 13.064 2.234 3.507 1.00 0.93 C ATOM 284 CG ARG A 22 13.532 2.298 4.959 1.00 1.64 C ATOM 285 CD ARG A 22 13.133 1.045 5.733 1.00 2.14 C ATOM 286 NE ARG A 22 12.615 1.403 7.048 1.00 2.73 N ATOM 287 CZ ARG A 22 12.429 0.492 7.998 1.00 3.33 C ATOM 288 NH1 ARG A 22 12.258 -0.782 7.673 1.00 3.72 N ATOM 289 NH2 ARG A 22 12.415 0.855 9.273 1.00 3.95 N ATOM 0 H ARG A 22 11.425 0.733 2.456 1.00 0.68 H new ATOM 0 HA ARG A 22 11.163 2.724 4.373 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.219 1.228 3.118 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.668 2.908 2.899 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.615 2.415 4.988 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.104 3.176 5.442 1.00 1.64 H new ATOM 0 HD2 ARG A 22 12.377 0.491 5.176 1.00 2.14 H new ATOM 0 HD3 ARG A 22 13.995 0.387 5.842 1.00 2.14 H new ATOM 0 HE ARG A 22 12.389 2.378 7.244 1.00 2.73 H new ATOM 0 HH11 ARG A 22 12.269 -1.064 6.693 1.00 3.72 H new ATOM 0 HH12 ARG A 22 12.115 -1.480 8.403 1.00 3.72 H new ATOM 0 HH21 ARG A 22 12.547 1.834 9.526 1.00 3.95 H new ATOM 0 HH22 ARG A 22 12.272 0.155 10.001 1.00 3.95 H new ATOM 303 N HIS A 23 11.235 3.851 1.325 1.00 0.90 N ATOM 304 CA HIS A 23 11.089 5.041 0.494 1.00 0.98 C ATOM 305 C HIS A 23 9.723 5.682 0.706 1.00 0.96 C ATOM 306 O HIS A 23 9.549 6.882 0.486 1.00 1.12 O ATOM 307 CB HIS A 23 11.263 4.669 -0.975 1.00 1.02 C ATOM 308 CG HIS A 23 12.576 5.111 -1.540 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.744 5.101 -0.824 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.920 5.586 -2.766 1.00 1.56 C ATOM 311 CE1 HIS A 23 14.745 5.538 -1.551 1.00 2.07 C ATOM 312 NE2 HIS A 23 14.278 5.845 -2.750 1.00 1.86 N ATOM 0 H HIS A 23 11.150 2.971 0.817 1.00 0.90 H new ATOM 0 HA HIS A 23 11.857 5.760 0.780 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.173 3.588 -1.083 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.456 5.116 -1.555 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.253 5.734 -3.602 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.771 5.631 -1.227 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.826 6.210 -3.529 1.00 1.86 H new ATOM 320 N LEU A 24 8.754 4.878 1.130 1.00 0.86 N ATOM 321 CA LEU A 24 7.400 5.364 1.366 1.00 0.87 C ATOM 322 C LEU A 24 7.225 5.787 2.819 1.00 0.97 C ATOM 323 O LEU A 24 7.031 6.966 3.112 1.00 1.16 O ATOM 324 CB LEU A 24 6.392 4.276 1.014 1.00 0.73 C ATOM 325 CG LEU A 24 6.289 4.080 -0.495 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.170 2.598 -0.840 1.00 0.72 C ATOM 327 CD2 LEU A 24 5.111 4.864 -1.061 1.00 1.25 C ATOM 0 H LEU A 24 8.882 3.884 1.318 1.00 0.86 H new ATOM 0 HA LEU A 24 7.227 6.234 0.732 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.687 3.338 1.485 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.414 4.540 1.416 1.00 0.73 H new ATOM 0 HG LEU A 24 7.202 4.462 -0.952 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.098 2.481 -1.921 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.050 2.068 -0.476 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.277 2.186 -0.370 1.00 0.72 H new ATOM 0 HD21 LEU A 24 5.056 4.710 -2.139 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.187 4.518 -0.597 1.00 1.25 H new ATOM 0 HD23 LEU A 24 5.246 5.925 -0.852 1.00 1.25 H new ATOM 339 N ILE A 25 7.293 4.818 3.727 1.00 0.92 N ATOM 340 CA ILE A 25 7.140 5.096 5.150 1.00 1.10 C ATOM 341 C ILE A 25 8.149 6.143 5.604 1.00 1.41 C ATOM 342 O ILE A 25 7.928 6.843 6.593 1.00 1.91 O ATOM 343 CB ILE A 25 7.323 3.812 5.955 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.730 3.249 5.763 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.276 2.776 5.566 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.274 2.648 7.054 1.00 0.91 C ATOM 0 H ILE A 25 7.453 3.836 3.503 1.00 0.92 H new ATOM 0 HA ILE A 25 6.136 5.486 5.320 1.00 1.10 H new ATOM 0 HB ILE A 25 7.191 4.053 7.010 1.00 0.94 H new ATOM 0 HG12 ILE A 25 8.714 2.487 4.984 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.396 4.041 5.421 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.426 1.869 6.152 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.280 3.174 5.761 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.372 2.542 4.506 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.277 2.257 6.879 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.314 3.417 7.825 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.621 1.839 7.382 1.00 0.91 H new ATOM 358 N GLY A 26 9.258 6.249 4.878 1.00 1.49 N ATOM 359 CA GLY A 26 10.300 7.213 5.209 1.00 1.87 C ATOM 360 C GLY A 26 11.037 6.805 6.477 1.00 1.82 C ATOM 361 O GLY A 26 11.661 5.746 6.532 1.00 2.29 O ATOM 0 H GLY A 26 9.457 5.678 4.056 1.00 1.49 H new ATOM 0 HA2 GLY A 26 11.006 7.289 4.382 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.858 8.200 5.343 1.00 1.87 H new ATOM 365 N LYS A 27 10.962 7.654 7.498 1.00 1.86 N ATOM 366 CA LYS A 27 11.623 7.383 8.770 1.00 1.91 C ATOM 367 C LYS A 27 10.818 6.383 9.589 1.00 1.62 C ATOM 368 O LYS A 27 11.231 5.236 9.766 1.00 2.38 O ATOM 369 CB LYS A 27 11.792 8.680 9.556 1.00 2.21 C ATOM 370 CG LYS A 27 12.801 9.611 8.890 1.00 2.65 C ATOM 371 CD LYS A 27 12.905 10.944 9.624 1.00 3.30 C ATOM 372 CE LYS A 27 14.223 11.065 10.384 1.00 3.80 C ATOM 373 NZ LYS A 27 14.133 10.429 11.728 1.00 4.51 N ATOM 0 H LYS A 27 10.450 8.536 7.469 1.00 1.86 H new ATOM 0 HA LYS A 27 12.605 6.956 8.566 1.00 1.91 H new ATOM 0 HB2 LYS A 27 10.829 9.185 9.638 1.00 2.21 H new ATOM 0 HB3 LYS A 27 12.120 8.452 10.570 1.00 2.21 H new ATOM 0 HG2 LYS A 27 13.779 9.131 8.866 1.00 2.65 H new ATOM 0 HG3 LYS A 27 12.507 9.787 7.855 1.00 2.65 H new ATOM 0 HD2 LYS A 27 12.821 11.762 8.908 1.00 3.30 H new ATOM 0 HD3 LYS A 27 12.072 11.043 10.320 1.00 3.30 H new ATOM 0 HE2 LYS A 27 15.021 10.595 9.809 1.00 3.80 H new ATOM 0 HE3 LYS A 27 14.487 12.117 10.494 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 15.044 10.527 12.220 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 13.387 10.895 12.283 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 13.905 9.420 11.620 1.00 4.51 H new ATOM 387 N SER A 28 9.667 6.822 10.089 1.00 1.28 N ATOM 388 CA SER A 28 8.803 5.962 10.890 1.00 1.60 C ATOM 389 C SER A 28 7.705 5.355 10.029 1.00 1.60 C ATOM 390 O SER A 28 7.531 4.136 9.996 1.00 2.28 O ATOM 391 CB SER A 28 8.185 6.764 12.031 1.00 1.99 C ATOM 392 OG SER A 28 8.251 6.028 13.244 1.00 2.57 O ATOM 0 H SER A 28 9.311 7.768 9.954 1.00 1.28 H new ATOM 0 HA SER A 28 9.406 5.154 11.304 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.710 7.712 12.144 1.00 1.99 H new ATOM 0 HB3 SER A 28 7.147 7.001 11.797 1.00 1.99 H new ATOM 0 HG SER A 28 7.853 6.555 13.968 1.00 2.57 H new ATOM 398 N GLY A 29 6.963 6.210 9.333 1.00 1.21 N ATOM 399 CA GLY A 29 5.878 5.760 8.469 1.00 1.23 C ATOM 400 C GLY A 29 4.655 6.654 8.620 1.00 1.36 C ATOM 401 O GLY A 29 3.734 6.341 9.374 1.00 2.05 O ATOM 0 H GLY A 29 7.094 7.221 9.351 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.210 5.763 7.431 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.614 4.732 8.716 1.00 1.23 H new ATOM 405 N ALA A 30 4.653 7.771 7.898 1.00 1.00 N ATOM 406 CA ALA A 30 3.543 8.716 7.953 1.00 1.10 C ATOM 407 C ALA A 30 2.746 8.683 6.654 1.00 1.06 C ATOM 408 O ALA A 30 1.523 8.832 6.661 1.00 1.43 O ATOM 409 CB ALA A 30 4.071 10.125 8.201 1.00 1.27 C ATOM 0 H ALA A 30 5.408 8.043 7.268 1.00 1.00 H new ATOM 0 HA ALA A 30 2.884 8.429 8.773 1.00 1.10 H new ATOM 0 HB1 ALA A 30 3.236 10.825 8.241 1.00 1.27 H new ATOM 0 HB2 ALA A 30 4.611 10.150 9.148 1.00 1.27 H new ATOM 0 HB3 ALA A 30 4.744 10.409 7.392 1.00 1.27 H new ATOM 415 N ASN A 31 3.444 8.493 5.539 1.00 0.73 N ATOM 416 CA ASN A 31 2.800 8.444 4.230 1.00 0.69 C ATOM 417 C ASN A 31 1.626 7.473 4.246 1.00 0.60 C ATOM 418 O ASN A 31 0.569 7.751 3.677 1.00 0.58 O ATOM 419 CB ASN A 31 3.809 8.021 3.166 1.00 0.71 C ATOM 420 CG ASN A 31 4.258 9.229 2.356 1.00 1.24 C ATOM 421 OD1 ASN A 31 3.952 10.371 2.700 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.986 8.979 1.273 1.00 1.42 N ATOM 0 H ASN A 31 4.456 8.370 5.515 1.00 0.73 H new ATOM 0 HA ASN A 31 2.425 9.440 3.993 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.671 7.551 3.639 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.362 7.277 2.506 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.314 9.749 0.690 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.217 8.017 1.024 1.00 1.42 H new ATOM 429 N ILE A 32 1.815 6.332 4.902 1.00 0.58 N ATOM 430 CA ILE A 32 0.771 5.319 4.994 1.00 0.56 C ATOM 431 C ILE A 32 -0.529 5.940 5.491 1.00 0.52 C ATOM 432 O ILE A 32 -1.619 5.489 5.138 1.00 0.51 O ATOM 433 CB ILE A 32 1.206 4.202 5.937 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.775 4.780 7.232 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.229 3.294 5.263 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.179 4.094 8.459 1.00 1.07 C ATOM 0 H ILE A 32 2.683 6.086 5.378 1.00 0.58 H new ATOM 0 HA ILE A 32 0.604 4.902 4.001 1.00 0.56 H new ATOM 0 HB ILE A 32 0.328 3.605 6.184 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.859 4.663 7.239 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.569 5.850 7.276 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.525 2.504 5.953 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.789 2.849 4.371 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.105 3.878 4.982 1.00 0.69 H new ATOM 0 HD11 ILE A 32 1.606 4.530 9.363 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.098 4.233 8.465 1.00 1.07 H new ATOM 0 HD13 ILE A 32 1.407 3.029 8.427 1.00 1.07 H new ATOM 448 N ASN A 33 -0.405 6.980 6.310 1.00 0.56 N ATOM 449 CA ASN A 33 -1.567 7.669 6.855 1.00 0.59 C ATOM 450 C ASN A 33 -2.193 8.570 5.800 1.00 0.54 C ATOM 451 O ASN A 33 -3.409 8.758 5.772 1.00 0.55 O ATOM 452 CB ASN A 33 -1.161 8.496 8.071 1.00 0.71 C ATOM 453 CG ASN A 33 -2.258 8.459 9.126 1.00 0.97 C ATOM 454 OD1 ASN A 33 -3.121 9.336 9.171 1.00 1.51 O ATOM 455 ND2 ASN A 33 -2.226 7.441 9.979 1.00 1.62 N ATOM 0 H ASN A 33 0.491 7.364 6.611 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.302 6.924 7.159 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.232 8.108 8.489 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.970 9.526 7.771 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.935 7.364 10.708 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.492 6.736 9.905 1.00 1.62 H new ATOM 462 N ARG A 34 -1.353 9.126 4.931 1.00 0.55 N ATOM 463 CA ARG A 34 -1.824 10.008 3.870 1.00 0.56 C ATOM 464 C ARG A 34 -2.802 9.271 2.967 1.00 0.48 C ATOM 465 O ARG A 34 -3.929 9.720 2.761 1.00 0.48 O ATOM 466 CB ARG A 34 -0.642 10.522 3.051 1.00 0.65 C ATOM 467 CG ARG A 34 -0.580 12.046 3.058 1.00 0.89 C ATOM 468 CD ARG A 34 0.743 12.556 2.494 1.00 1.22 C ATOM 469 NE ARG A 34 0.790 12.356 1.050 1.00 1.69 N ATOM 470 CZ ARG A 34 1.569 13.096 0.268 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.692 13.614 0.747 1.00 2.90 N ATOM 472 NH2 ARG A 34 1.227 13.320 -0.993 1.00 2.78 N ATOM 0 H ARG A 34 -0.343 8.981 4.942 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.336 10.857 4.323 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.286 10.117 3.455 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.726 10.165 2.025 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.406 12.447 2.470 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -0.707 12.411 4.077 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.860 13.615 2.725 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.574 12.032 2.967 1.00 1.22 H new ATOM 0 HE ARG A 34 0.210 11.630 0.630 1.00 1.69 H new ATOM 0 HH11 ARG A 34 2.959 13.445 1.717 1.00 2.90 H new ATOM 0 HH12 ARG A 34 3.289 14.182 0.146 1.00 2.90 H new ATOM 0 HH21 ARG A 34 0.364 12.924 -1.365 1.00 2.78 H new ATOM 0 HH22 ARG A 34 1.827 13.888 -1.591 1.00 2.78 H new ATOM 486 N ILE A 35 -2.371 8.129 2.437 1.00 0.45 N ATOM 487 CA ILE A 35 -3.220 7.327 1.565 1.00 0.40 C ATOM 488 C ILE A 35 -4.469 6.891 2.322 1.00 0.34 C ATOM 489 O ILE A 35 -5.591 7.084 1.855 1.00 0.34 O ATOM 490 CB ILE A 35 -2.447 6.108 1.058 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.274 6.546 0.185 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.357 5.157 0.284 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.011 6.773 1.010 1.00 1.29 C ATOM 0 H ILE A 35 -1.441 7.740 2.596 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.522 7.926 0.706 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.061 5.573 1.926 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.082 5.787 -0.574 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.535 7.464 -0.341 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.778 4.301 -0.063 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.160 4.812 0.935 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.783 5.678 -0.573 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.802 7.084 0.353 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.196 7.550 1.752 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.265 5.847 1.515 1.00 1.29 H new ATOM 505 N LYS A 36 -4.263 6.312 3.502 1.00 0.35 N ATOM 506 CA LYS A 36 -5.363 5.853 4.342 1.00 0.36 C ATOM 507 C LYS A 36 -6.404 6.957 4.501 1.00 0.39 C ATOM 508 O LYS A 36 -7.559 6.791 4.120 1.00 0.51 O ATOM 509 CB LYS A 36 -4.824 5.434 5.711 1.00 0.44 C ATOM 510 CG LYS A 36 -5.946 5.132 6.704 1.00 1.09 C ATOM 511 CD LYS A 36 -5.436 4.336 7.901 1.00 1.41 C ATOM 512 CE LYS A 36 -6.532 3.460 8.499 1.00 2.17 C ATOM 513 NZ LYS A 36 -5.966 2.225 9.110 1.00 2.76 N ATOM 0 H LYS A 36 -3.338 6.149 3.899 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.839 4.995 3.867 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.194 4.552 5.597 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.192 6.228 6.109 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.389 6.066 7.049 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -6.735 4.572 6.203 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.597 3.712 7.593 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.061 5.021 8.661 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -7.079 4.024 9.254 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -7.248 3.189 7.723 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -6.577 1.913 9.891 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -5.912 1.475 8.391 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -5.013 2.424 9.475 1.00 2.76 H new ATOM 527 N ASP A 37 -5.986 8.082 5.066 1.00 0.40 N ATOM 528 CA ASP A 37 -6.884 9.212 5.272 1.00 0.45 C ATOM 529 C ASP A 37 -7.428 9.727 3.942 1.00 0.44 C ATOM 530 O ASP A 37 -8.438 10.432 3.909 1.00 0.60 O ATOM 531 CB ASP A 37 -6.149 10.335 5.998 1.00 0.51 C ATOM 532 CG ASP A 37 -7.124 11.438 6.389 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.656 12.112 5.483 1.00 1.37 O ATOM 534 OD2 ASP A 37 -7.353 11.627 7.603 1.00 1.56 O ATOM 0 H ASP A 37 -5.031 8.237 5.390 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.723 8.874 5.880 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.658 9.942 6.888 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.367 10.742 5.356 1.00 0.51 H new ATOM 539 N GLN A 38 -6.753 9.383 2.848 1.00 0.41 N ATOM 540 CA GLN A 38 -7.169 9.822 1.521 1.00 0.46 C ATOM 541 C GLN A 38 -8.217 8.885 0.934 1.00 0.42 C ATOM 542 O GLN A 38 -9.378 9.259 0.770 1.00 0.68 O ATOM 543 CB GLN A 38 -5.960 9.883 0.592 1.00 0.54 C ATOM 544 CG GLN A 38 -6.276 10.605 -0.708 1.00 0.65 C ATOM 545 CD GLN A 38 -6.893 11.970 -0.431 1.00 1.05 C ATOM 546 OE1 GLN A 38 -6.423 12.712 0.431 1.00 1.65 O ATOM 547 NE2 GLN A 38 -7.951 12.300 -1.162 1.00 1.66 N ATOM 0 H GLN A 38 -5.915 8.801 2.856 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.610 10.814 1.616 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.139 10.391 1.098 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.621 8.871 0.371 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.365 10.725 -1.294 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.962 10.005 -1.305 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -8.306 11.653 -1.866 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -8.408 13.201 -1.020 1.00 1.66 H new ATOM 556 N TYR A 39 -7.796 7.669 0.603 1.00 0.34 N ATOM 557 CA TYR A 39 -8.694 6.681 0.013 1.00 0.34 C ATOM 558 C TYR A 39 -9.350 5.803 1.076 1.00 0.30 C ATOM 559 O TYR A 39 -9.949 4.779 0.750 1.00 0.32 O ATOM 560 CB TYR A 39 -7.920 5.806 -0.967 1.00 0.39 C ATOM 561 CG TYR A 39 -7.268 6.592 -2.077 1.00 0.46 C ATOM 562 CD1 TYR A 39 -8.024 7.049 -3.142 1.00 0.64 C ATOM 563 CD2 TYR A 39 -5.911 6.858 -2.035 1.00 0.53 C ATOM 564 CE1 TYR A 39 -7.426 7.770 -4.161 1.00 0.73 C ATOM 565 CE2 TYR A 39 -5.313 7.580 -3.054 1.00 0.62 C ATOM 566 CZ TYR A 39 -6.073 8.032 -4.113 1.00 0.66 C ATOM 567 OH TYR A 39 -5.478 8.749 -5.124 1.00 0.77 O ATOM 0 H TYR A 39 -6.838 7.343 0.733 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.485 7.220 -0.509 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -7.154 5.253 -0.424 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.597 5.070 -1.401 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -9.083 6.843 -3.178 1.00 0.64 H new ATOM 0 HD2 TYR A 39 -5.317 6.502 -1.206 1.00 0.53 H new ATOM 0 HE1 TYR A 39 -8.017 8.126 -4.991 1.00 0.73 H new ATOM 0 HE2 TYR A 39 -4.254 7.789 -3.020 1.00 0.62 H new ATOM 0 HH TYR A 39 -4.660 9.172 -4.788 1.00 0.77 H new ATOM 577 N LYS A 40 -9.238 6.193 2.345 1.00 0.28 N ATOM 578 CA LYS A 40 -9.827 5.414 3.434 1.00 0.31 C ATOM 579 C LYS A 40 -9.412 3.954 3.311 1.00 0.29 C ATOM 580 O LYS A 40 -10.244 3.050 3.386 1.00 0.39 O ATOM 581 CB LYS A 40 -11.349 5.527 3.396 1.00 0.38 C ATOM 582 CG LYS A 40 -11.822 6.898 3.868 1.00 0.86 C ATOM 583 CD LYS A 40 -11.883 6.978 5.391 1.00 1.29 C ATOM 584 CE LYS A 40 -12.527 8.279 5.859 1.00 1.88 C ATOM 585 NZ LYS A 40 -13.888 8.449 5.279 1.00 2.56 N ATOM 0 H LYS A 40 -8.749 7.037 2.643 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.467 5.808 4.385 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.702 5.349 2.380 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.788 4.753 4.026 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.148 7.666 3.490 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -12.808 7.106 3.452 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -12.449 6.131 5.778 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -10.876 6.902 5.801 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -12.590 8.285 6.947 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -11.899 9.122 5.571 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.426 9.131 5.851 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.808 8.801 4.304 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.381 7.533 5.277 1.00 2.56 H new ATOM 599 N VAL A 41 -8.119 3.735 3.097 1.00 0.23 N ATOM 600 CA VAL A 41 -7.585 2.389 2.933 1.00 0.23 C ATOM 601 C VAL A 41 -6.556 2.065 4.008 1.00 0.27 C ATOM 602 O VAL A 41 -6.314 2.860 4.913 1.00 0.33 O ATOM 603 CB VAL A 41 -6.945 2.273 1.558 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.016 2.199 0.480 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.009 3.450 1.300 1.00 0.23 C ATOM 0 H VAL A 41 -7.420 4.475 3.033 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.404 1.677 3.029 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.358 1.355 1.528 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.542 2.116 -0.498 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.647 1.327 0.653 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.627 3.101 0.512 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.561 3.349 0.311 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.573 4.381 1.349 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.223 3.462 2.055 1.00 0.23 H new ATOM 615 N SER A 42 -5.949 0.888 3.894 1.00 0.29 N ATOM 616 CA SER A 42 -4.941 0.448 4.848 1.00 0.34 C ATOM 617 C SER A 42 -3.717 -0.086 4.115 1.00 0.30 C ATOM 618 O SER A 42 -3.646 -1.271 3.783 1.00 0.36 O ATOM 619 CB SER A 42 -5.515 -0.635 5.755 1.00 0.43 C ATOM 620 OG SER A 42 -5.759 -0.112 7.053 1.00 0.93 O ATOM 0 H SER A 42 -6.140 0.220 3.147 1.00 0.29 H new ATOM 0 HA SER A 42 -4.643 1.301 5.457 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.442 -1.021 5.331 1.00 0.43 H new ATOM 0 HB3 SER A 42 -4.820 -1.473 5.818 1.00 0.43 H new ATOM 0 HG SER A 42 -6.129 -0.816 7.625 1.00 0.93 H new ATOM 626 N VAL A 43 -2.756 0.796 3.860 1.00 0.33 N ATOM 627 CA VAL A 43 -1.532 0.417 3.166 1.00 0.34 C ATOM 628 C VAL A 43 -0.511 -0.127 4.157 1.00 0.35 C ATOM 629 O VAL A 43 0.048 0.620 4.961 1.00 0.55 O ATOM 630 CB VAL A 43 -0.956 1.622 2.426 1.00 0.49 C ATOM 631 CG1 VAL A 43 0.370 1.268 1.756 1.00 0.54 C ATOM 632 CG2 VAL A 43 -1.953 2.150 1.399 1.00 1.25 C ATOM 0 H VAL A 43 -2.802 1.780 4.125 1.00 0.33 H new ATOM 0 HA VAL A 43 -1.766 -0.363 2.442 1.00 0.34 H new ATOM 0 HB VAL A 43 -0.767 2.408 3.157 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.760 2.143 1.236 1.00 0.54 H new ATOM 0 HG12 VAL A 43 1.086 0.947 2.513 1.00 0.54 H new ATOM 0 HG13 VAL A 43 0.212 0.461 1.041 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -1.523 3.008 0.883 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.179 1.367 0.675 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -2.870 2.452 1.904 1.00 1.25 H new ATOM 642 N ARG A 44 -0.273 -1.433 4.098 1.00 0.31 N ATOM 643 CA ARG A 44 0.677 -2.080 4.994 1.00 0.42 C ATOM 644 C ARG A 44 1.998 -2.341 4.281 1.00 0.40 C ATOM 645 O ARG A 44 2.044 -3.064 3.287 1.00 0.41 O ATOM 646 CB ARG A 44 0.098 -3.396 5.509 1.00 0.52 C ATOM 647 CG ARG A 44 -1.381 -3.263 5.857 1.00 0.78 C ATOM 648 CD ARG A 44 -1.603 -2.284 7.006 1.00 1.05 C ATOM 649 NE ARG A 44 -1.820 -3.008 8.253 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.679 -2.575 9.171 1.00 1.74 C ATOM 651 NH1 ARG A 44 -2.992 -1.288 9.233 1.00 2.27 N ATOM 652 NH2 ARG A 44 -3.225 -3.429 10.026 1.00 2.28 N ATOM 0 H ARG A 44 -0.726 -2.065 3.438 1.00 0.31 H new ATOM 0 HA ARG A 44 0.862 -1.414 5.837 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.226 -4.171 4.753 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.652 -3.717 6.391 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.933 -2.926 4.979 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.781 -4.240 6.129 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -0.739 -1.627 7.105 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.463 -1.650 6.791 1.00 1.05 H new ATOM 0 HE ARG A 44 -1.300 -3.868 8.425 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -2.574 -0.629 8.576 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -3.651 -0.957 9.938 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -2.986 -4.420 9.980 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -3.884 -3.095 10.730 1.00 2.28 H new ATOM 666 N ILE A 45 3.069 -1.753 4.803 1.00 0.46 N ATOM 667 CA ILE A 45 4.401 -1.919 4.229 1.00 0.47 C ATOM 668 C ILE A 45 5.215 -2.897 5.088 1.00 0.53 C ATOM 669 O ILE A 45 5.726 -2.526 6.144 1.00 0.64 O ATOM 670 CB ILE A 45 5.088 -0.543 4.135 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.571 0.227 2.914 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.616 -0.652 4.089 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.165 -0.298 1.602 1.00 0.56 C ATOM 0 H ILE A 45 3.041 -1.153 5.628 1.00 0.46 H new ATOM 0 HA ILE A 45 4.329 -2.336 3.224 1.00 0.47 H new ATOM 0 HB ILE A 45 4.834 0.005 5.043 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.484 0.153 2.874 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.815 1.284 3.024 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.050 0.346 4.023 1.00 0.60 H new ATOM 0 HG22 ILE A 45 6.973 -1.144 4.994 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.913 -1.235 3.217 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.769 0.279 0.767 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.250 -0.199 1.629 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.899 -1.348 1.477 1.00 0.56 H new ATOM 685 N PRO A 46 5.336 -4.162 4.645 1.00 0.48 N ATOM 686 CA PRO A 46 6.082 -5.187 5.380 1.00 0.58 C ATOM 687 C PRO A 46 7.587 -5.107 5.127 1.00 0.61 C ATOM 688 O PRO A 46 8.057 -5.419 4.032 1.00 0.56 O ATOM 689 CB PRO A 46 5.509 -6.493 4.840 1.00 0.57 C ATOM 690 CG PRO A 46 4.988 -6.177 3.475 1.00 0.47 C ATOM 691 CD PRO A 46 4.748 -4.691 3.405 1.00 0.41 C ATOM 0 HA PRO A 46 5.976 -5.076 6.459 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.275 -7.267 4.796 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.714 -6.867 5.485 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.704 -6.484 2.713 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.064 -6.722 3.283 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.220 -4.254 2.525 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.684 -4.464 3.342 1.00 0.41 H new ATOM 699 N PRO A 47 8.368 -4.691 6.141 1.00 0.74 N ATOM 700 CA PRO A 47 9.827 -4.580 6.012 1.00 0.81 C ATOM 701 C PRO A 47 10.508 -5.945 6.045 1.00 0.87 C ATOM 702 O PRO A 47 10.721 -6.516 7.114 1.00 1.53 O ATOM 703 CB PRO A 47 10.230 -3.734 7.217 1.00 0.98 C ATOM 704 CG PRO A 47 9.155 -3.951 8.230 1.00 1.03 C ATOM 705 CD PRO A 47 7.896 -4.302 7.480 1.00 0.85 C ATOM 0 HA PRO A 47 10.126 -4.140 5.061 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.202 -4.039 7.604 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.310 -2.681 6.949 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.430 -4.752 8.916 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.007 -3.054 8.831 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.358 -5.117 7.965 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.213 -3.454 7.430 1.00 0.85 H new ATOM 713 N ASP A 48 10.847 -6.465 4.868 1.00 1.32 N ATOM 714 CA ASP A 48 11.504 -7.764 4.769 1.00 1.46 C ATOM 715 C ASP A 48 12.005 -8.007 3.351 1.00 1.48 C ATOM 716 O ASP A 48 11.453 -7.478 2.386 1.00 2.18 O ATOM 717 CB ASP A 48 10.535 -8.872 5.173 1.00 2.16 C ATOM 718 CG ASP A 48 9.109 -8.493 4.796 1.00 2.56 C ATOM 719 OD1 ASP A 48 8.913 -7.396 4.228 1.00 3.01 O ATOM 720 OD2 ASP A 48 8.188 -9.290 5.069 1.00 3.03 O ATOM 0 H ASP A 48 10.678 -6.008 3.972 1.00 1.32 H new ATOM 0 HA ASP A 48 12.359 -7.770 5.445 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.813 -9.804 4.681 1.00 2.16 H new ATOM 0 HB3 ASP A 48 10.600 -9.047 6.247 1.00 2.16 H new ATOM 725 N SER A 49 13.054 -8.815 3.233 1.00 1.59 N ATOM 726 CA SER A 49 13.636 -9.138 1.936 1.00 2.11 C ATOM 727 C SER A 49 14.230 -7.893 1.289 1.00 1.90 C ATOM 728 O SER A 49 13.855 -6.769 1.621 1.00 2.33 O ATOM 729 CB SER A 49 12.574 -9.739 1.021 1.00 3.03 C ATOM 730 OG SER A 49 13.103 -10.843 0.302 1.00 3.81 O ATOM 0 H SER A 49 13.520 -9.260 4.024 1.00 1.59 H new ATOM 0 HA SER A 49 14.433 -9.866 2.088 1.00 2.11 H new ATOM 0 HB2 SER A 49 11.716 -10.060 1.612 1.00 3.03 H new ATOM 0 HB3 SER A 49 12.216 -8.982 0.324 1.00 3.03 H new ATOM 0 HG SER A 49 12.409 -11.218 -0.279 1.00 3.81 H new ATOM 736 N GLU A 50 15.161 -8.103 0.363 1.00 1.92 N ATOM 737 CA GLU A 50 15.811 -7.002 -0.336 1.00 2.27 C ATOM 738 C GLU A 50 15.933 -7.315 -1.822 1.00 2.09 C ATOM 739 O GLU A 50 16.849 -6.842 -2.494 1.00 2.74 O ATOM 740 CB GLU A 50 17.196 -6.752 0.257 1.00 3.06 C ATOM 741 CG GLU A 50 17.295 -5.366 0.885 1.00 3.83 C ATOM 742 CD GLU A 50 16.836 -5.407 2.337 1.00 4.43 C ATOM 743 OE1 GLU A 50 15.733 -5.931 2.598 1.00 4.97 O ATOM 744 OE2 GLU A 50 17.581 -4.916 3.211 1.00 4.75 O ATOM 0 H GLU A 50 15.482 -9.029 0.080 1.00 1.92 H new ATOM 0 HA GLU A 50 15.203 -6.106 -0.215 1.00 2.27 H new ATOM 0 HB2 GLU A 50 17.412 -7.510 1.010 1.00 3.06 H new ATOM 0 HB3 GLU A 50 17.950 -6.853 -0.523 1.00 3.06 H new ATOM 0 HG2 GLU A 50 18.323 -5.008 0.832 1.00 3.83 H new ATOM 0 HG3 GLU A 50 16.683 -4.661 0.323 1.00 3.83 H new ATOM 751 N LYS A 51 15.003 -8.118 -2.327 1.00 1.76 N ATOM 752 CA LYS A 51 15.002 -8.500 -3.734 1.00 1.77 C ATOM 753 C LYS A 51 13.591 -8.421 -4.303 1.00 1.55 C ATOM 754 O LYS A 51 13.326 -7.657 -5.231 1.00 2.20 O ATOM 755 CB LYS A 51 15.547 -9.917 -3.887 1.00 2.14 C ATOM 756 CG LYS A 51 15.902 -10.232 -5.337 1.00 2.60 C ATOM 757 CD LYS A 51 17.390 -10.027 -5.610 1.00 3.36 C ATOM 758 CE LYS A 51 18.159 -11.343 -5.543 1.00 4.12 C ATOM 759 NZ LYS A 51 19.561 -11.129 -5.090 1.00 4.81 N ATOM 0 H LYS A 51 14.239 -8.517 -1.782 1.00 1.76 H new ATOM 0 HA LYS A 51 15.640 -7.810 -4.286 1.00 1.77 H new ATOM 0 HB2 LYS A 51 16.432 -10.036 -3.262 1.00 2.14 H new ATOM 0 HB3 LYS A 51 14.806 -10.632 -3.530 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.629 -11.263 -5.563 1.00 2.60 H new ATOM 0 HG3 LYS A 51 15.319 -9.595 -6.001 1.00 2.60 H new ATOM 0 HD2 LYS A 51 17.522 -9.578 -6.594 1.00 3.36 H new ATOM 0 HD3 LYS A 51 17.801 -9.327 -4.883 1.00 3.36 H new ATOM 0 HE2 LYS A 51 17.655 -12.027 -4.860 1.00 4.12 H new ATOM 0 HE3 LYS A 51 18.160 -11.816 -6.525 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 20.058 -12.042 -5.055 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 20.048 -10.495 -5.756 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 19.558 -10.700 -4.143 1.00 4.81 H new ATOM 773 N SER A 52 12.685 -9.213 -3.739 1.00 1.19 N ATOM 774 CA SER A 52 11.297 -9.232 -4.183 1.00 1.04 C ATOM 775 C SER A 52 10.369 -8.833 -3.043 1.00 0.92 C ATOM 776 O SER A 52 10.094 -9.631 -2.146 1.00 1.19 O ATOM 777 CB SER A 52 10.927 -10.623 -4.690 1.00 1.25 C ATOM 778 OG SER A 52 10.659 -11.495 -3.603 1.00 2.03 O ATOM 0 H SER A 52 12.889 -9.852 -2.971 1.00 1.19 H new ATOM 0 HA SER A 52 11.184 -8.514 -4.996 1.00 1.04 H new ATOM 0 HB2 SER A 52 10.052 -10.560 -5.337 1.00 1.25 H new ATOM 0 HB3 SER A 52 11.741 -11.025 -5.293 1.00 1.25 H new ATOM 0 HG SER A 52 10.720 -10.997 -2.761 1.00 2.03 H new ATOM 784 N ASN A 53 9.890 -7.594 -3.079 1.00 0.68 N ATOM 785 CA ASN A 53 8.994 -7.087 -2.048 1.00 0.61 C ATOM 786 C ASN A 53 7.540 -7.318 -2.436 1.00 0.59 C ATOM 787 O ASN A 53 7.241 -7.736 -3.555 1.00 0.99 O ATOM 788 CB ASN A 53 9.238 -5.597 -1.830 1.00 0.60 C ATOM 789 CG ASN A 53 10.630 -5.365 -1.259 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.572 -6.090 -1.577 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.762 -4.350 -0.412 1.00 1.28 N ATOM 0 H ASN A 53 10.109 -6.921 -3.814 1.00 0.68 H new ATOM 0 HA ASN A 53 9.197 -7.626 -1.122 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.132 -5.063 -2.774 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.487 -5.195 -1.150 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.672 -4.147 0.002 1.00 1.28 H new ATOM 0 HD22 ASN A 53 9.954 -3.774 -0.176 1.00 1.28 H new ATOM 798 N LEU A 54 6.640 -7.039 -1.501 1.00 0.55 N ATOM 799 CA LEU A 54 5.210 -7.209 -1.729 1.00 0.51 C ATOM 800 C LEU A 54 4.419 -6.467 -0.661 1.00 0.44 C ATOM 801 O LEU A 54 4.243 -6.966 0.450 1.00 0.57 O ATOM 802 CB LEU A 54 4.850 -8.692 -1.702 1.00 0.65 C ATOM 803 CG LEU A 54 4.595 -9.236 -3.106 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.025 -10.697 -3.205 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.126 -9.078 -3.486 1.00 1.49 C ATOM 0 H LEU A 54 6.877 -6.692 -0.572 1.00 0.55 H new ATOM 0 HA LEU A 54 4.958 -6.799 -2.707 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.658 -9.254 -1.235 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.962 -8.840 -1.087 1.00 0.65 H new ATOM 0 HG LEU A 54 5.193 -8.657 -3.810 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.835 -11.065 -4.213 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.089 -10.779 -2.984 1.00 1.49 H new ATOM 0 HD13 LEU A 54 4.459 -11.292 -2.489 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.965 -9.472 -4.490 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.506 -9.627 -2.777 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.856 -8.022 -3.463 1.00 1.49 H new ATOM 817 N ILE A 55 3.946 -5.271 -0.998 1.00 0.31 N ATOM 818 CA ILE A 55 3.177 -4.468 -0.052 1.00 0.26 C ATOM 819 C ILE A 55 1.750 -4.987 0.053 1.00 0.27 C ATOM 820 O ILE A 55 1.122 -5.312 -0.954 1.00 0.34 O ATOM 821 CB ILE A 55 3.165 -3.004 -0.482 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.574 -2.535 -0.848 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.575 -2.124 0.616 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.587 -1.066 -1.265 1.00 0.35 C ATOM 0 H ILE A 55 4.080 -4.839 -1.912 1.00 0.31 H new ATOM 0 HA ILE A 55 3.652 -4.546 0.926 1.00 0.26 H new ATOM 0 HB ILE A 55 2.535 -2.916 -1.367 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.238 -2.678 0.004 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.962 -3.148 -1.661 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.576 -1.084 0.289 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.552 -2.438 0.824 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.175 -2.220 1.521 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.605 -0.769 -1.518 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.943 -0.929 -2.133 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.223 -0.451 -0.442 1.00 0.35 H new ATOM 836 N ARG A 56 1.246 -5.067 1.280 1.00 0.29 N ATOM 837 CA ARG A 56 -0.108 -5.552 1.521 1.00 0.32 C ATOM 838 C ARG A 56 -1.090 -4.392 1.609 1.00 0.29 C ATOM 839 O ARG A 56 -1.096 -3.642 2.585 1.00 0.42 O ATOM 840 CB ARG A 56 -0.150 -6.365 2.810 1.00 0.42 C ATOM 841 CG ARG A 56 0.364 -7.784 2.590 1.00 0.55 C ATOM 842 CD ARG A 56 1.473 -8.140 3.576 1.00 0.84 C ATOM 843 NE ARG A 56 1.583 -9.588 3.715 1.00 1.44 N ATOM 844 CZ ARG A 56 1.893 -10.367 2.683 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.858 -10.008 1.846 1.00 2.19 N ATOM 846 NH2 ARG A 56 1.241 -11.504 2.489 1.00 2.33 N ATOM 0 H ARG A 56 1.755 -4.802 2.123 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.398 -6.188 0.685 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.453 -5.872 3.573 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.172 -6.401 3.186 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.459 -8.490 2.697 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.738 -7.882 1.571 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.421 -7.728 3.231 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.264 -7.690 4.546 1.00 0.84 H new ATOM 0 HE ARG A 56 1.418 -10.014 4.627 1.00 1.44 H new ATOM 0 HH11 ARG A 56 3.363 -9.134 1.994 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.095 -10.606 1.055 1.00 2.19 H new ATOM 0 HH21 ARG A 56 0.500 -11.783 3.132 1.00 2.33 H new ATOM 0 HH22 ARG A 56 1.480 -12.100 1.697 1.00 2.33 H new ATOM 860 N ILE A 57 -1.920 -4.255 0.583 1.00 0.24 N ATOM 861 CA ILE A 57 -2.916 -3.190 0.537 1.00 0.24 C ATOM 862 C ILE A 57 -4.306 -3.761 0.778 1.00 0.26 C ATOM 863 O ILE A 57 -4.654 -4.811 0.241 1.00 0.40 O ATOM 864 CB ILE A 57 -2.873 -2.494 -0.818 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.443 -2.098 -1.175 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.788 -1.273 -0.829 1.00 0.35 C ATOM 867 CD1 ILE A 57 -0.930 -0.978 -0.275 1.00 1.32 C ATOM 0 H ILE A 57 -1.924 -4.869 -0.231 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.690 -2.465 1.319 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.232 -3.195 -1.571 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -0.791 -2.967 -1.084 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.403 -1.777 -2.216 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.741 -0.792 -1.806 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.813 -1.584 -0.627 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.465 -0.569 -0.062 1.00 0.35 H new ATOM 0 HD11 ILE A 57 0.091 -0.722 -0.558 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.568 -0.101 -0.386 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -0.946 -1.309 0.763 1.00 1.32 H new ATOM 879 N GLU A 58 -5.099 -3.069 1.590 1.00 0.23 N ATOM 880 CA GLU A 58 -6.450 -3.522 1.895 1.00 0.25 C ATOM 881 C GLU A 58 -7.298 -2.377 2.423 1.00 0.24 C ATOM 882 O GLU A 58 -6.844 -1.571 3.234 1.00 0.26 O ATOM 883 CB GLU A 58 -6.396 -4.647 2.922 1.00 0.32 C ATOM 884 CG GLU A 58 -7.790 -5.165 3.262 1.00 0.37 C ATOM 885 CD GLU A 58 -7.729 -6.112 4.453 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.415 -7.304 4.250 1.00 1.47 O ATOM 887 OE2 GLU A 58 -7.993 -5.661 5.586 1.00 1.56 O ATOM 0 H GLU A 58 -4.831 -2.197 2.046 1.00 0.23 H new ATOM 0 HA GLU A 58 -6.907 -3.891 0.977 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -5.788 -5.465 2.535 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -5.909 -4.289 3.829 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.451 -4.328 3.488 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.213 -5.681 2.400 1.00 0.37 H new ATOM 894 N GLY A 59 -8.535 -2.315 1.950 1.00 0.25 N ATOM 895 CA GLY A 59 -9.467 -1.278 2.356 1.00 0.27 C ATOM 896 C GLY A 59 -10.886 -1.814 2.317 1.00 0.39 C ATOM 897 O GLY A 59 -11.131 -2.966 2.672 1.00 0.59 O ATOM 0 H GLY A 59 -8.917 -2.980 1.277 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.226 -0.934 3.362 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.376 -0.416 1.695 1.00 0.27 H new ATOM 901 N ASP A 60 -11.822 -0.988 1.869 1.00 0.53 N ATOM 902 CA ASP A 60 -13.209 -1.417 1.780 1.00 0.70 C ATOM 903 C ASP A 60 -13.838 -0.965 0.467 1.00 0.59 C ATOM 904 O ASP A 60 -14.098 -1.789 -0.410 1.00 1.04 O ATOM 905 CB ASP A 60 -14.008 -0.903 2.976 1.00 1.22 C ATOM 906 CG ASP A 60 -14.010 -1.935 4.095 1.00 1.93 C ATOM 907 OD1 ASP A 60 -13.101 -2.791 4.119 1.00 2.66 O ATOM 908 OD2 ASP A 60 -14.920 -1.885 4.950 1.00 2.31 O ATOM 0 H ASP A 60 -11.649 -0.030 1.565 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.230 -2.507 1.800 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.577 0.031 3.335 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.032 -0.685 2.671 1.00 1.22 H new ATOM 913 N PRO A 61 -14.087 0.344 0.291 1.00 0.72 N ATOM 914 CA PRO A 61 -14.676 0.851 -0.949 1.00 1.14 C ATOM 915 C PRO A 61 -13.658 0.831 -2.079 1.00 0.88 C ATOM 916 O PRO A 61 -12.579 0.256 -1.938 1.00 1.22 O ATOM 917 CB PRO A 61 -15.084 2.278 -0.600 1.00 1.82 C ATOM 918 CG PRO A 61 -14.182 2.680 0.518 1.00 1.82 C ATOM 919 CD PRO A 61 -13.806 1.423 1.257 1.00 1.17 C ATOM 0 HA PRO A 61 -15.516 0.249 -1.297 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.969 2.941 -1.457 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.130 2.326 -0.298 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.294 3.182 0.135 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.683 3.383 1.184 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.757 1.432 1.552 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.392 1.305 2.169 1.00 1.17 H new ATOM 927 N GLN A 62 -13.989 1.471 -3.192 1.00 0.64 N ATOM 928 CA GLN A 62 -13.076 1.529 -4.325 1.00 0.47 C ATOM 929 C GLN A 62 -11.722 2.074 -3.872 1.00 0.41 C ATOM 930 O GLN A 62 -10.697 1.821 -4.500 1.00 0.47 O ATOM 931 CB GLN A 62 -13.655 2.419 -5.422 1.00 0.69 C ATOM 932 CG GLN A 62 -14.894 1.792 -6.056 1.00 0.85 C ATOM 933 CD GLN A 62 -16.155 2.308 -5.377 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.335 2.145 -4.170 1.00 2.14 O ATOM 935 NE2 GLN A 62 -17.033 2.932 -6.155 1.00 1.73 N ATOM 0 H GLN A 62 -14.876 1.954 -3.334 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.942 0.523 -4.723 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.912 3.392 -5.004 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.900 2.591 -6.189 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.924 2.026 -7.120 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -14.845 0.707 -5.970 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -16.843 3.045 -7.151 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -17.897 3.298 -5.756 1.00 1.73 H new ATOM 944 N GLY A 63 -11.729 2.825 -2.773 1.00 0.37 N ATOM 945 CA GLY A 63 -10.511 3.413 -2.226 1.00 0.34 C ATOM 946 C GLY A 63 -9.345 2.430 -2.231 1.00 0.27 C ATOM 947 O GLY A 63 -8.212 2.811 -2.525 1.00 0.29 O ATOM 0 H GLY A 63 -12.572 3.041 -2.241 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.243 4.295 -2.807 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.698 3.748 -1.206 1.00 0.34 H new ATOM 951 N VAL A 64 -9.611 1.167 -1.894 1.00 0.24 N ATOM 952 CA VAL A 64 -8.551 0.164 -1.860 1.00 0.21 C ATOM 953 C VAL A 64 -8.020 -0.125 -3.260 1.00 0.24 C ATOM 954 O VAL A 64 -6.828 -0.375 -3.436 1.00 0.28 O ATOM 955 CB VAL A 64 -9.021 -1.126 -1.170 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.896 -1.989 -2.077 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.809 -1.918 -0.697 1.00 0.26 C ATOM 0 H VAL A 64 -10.537 0.820 -1.645 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.731 0.574 -1.270 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.637 -0.840 -0.317 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.201 -2.888 -1.541 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.781 -1.425 -2.372 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.332 -2.271 -2.966 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.141 -2.833 -0.207 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.183 -2.171 -1.553 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.234 -1.317 0.008 1.00 0.26 H new ATOM 967 N GLN A 65 -8.898 -0.079 -4.259 1.00 0.25 N ATOM 968 CA GLN A 65 -8.483 -0.326 -5.635 1.00 0.30 C ATOM 969 C GLN A 65 -7.881 0.942 -6.234 1.00 0.30 C ATOM 970 O GLN A 65 -7.047 0.881 -7.137 1.00 0.34 O ATOM 971 CB GLN A 65 -9.667 -0.821 -6.477 1.00 0.37 C ATOM 972 CG GLN A 65 -10.659 0.289 -6.816 1.00 0.42 C ATOM 973 CD GLN A 65 -10.939 0.309 -8.313 1.00 0.78 C ATOM 974 OE1 GLN A 65 -10.991 -0.737 -8.960 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.118 1.503 -8.865 1.00 0.82 N ATOM 0 H GLN A 65 -9.891 0.125 -4.143 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.722 -1.106 -5.638 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.291 -1.260 -7.401 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.186 -1.612 -5.936 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.588 0.135 -6.267 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.258 1.253 -6.501 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.066 2.344 -8.290 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -11.308 1.580 -9.864 1.00 0.82 H new ATOM 984 N GLN A 66 -8.305 2.091 -5.712 1.00 0.29 N ATOM 985 CA GLN A 66 -7.806 3.377 -6.177 1.00 0.31 C ATOM 986 C GLN A 66 -6.399 3.612 -5.647 1.00 0.29 C ATOM 987 O GLN A 66 -5.512 4.051 -6.380 1.00 0.36 O ATOM 988 CB GLN A 66 -8.730 4.497 -5.709 1.00 0.35 C ATOM 989 CG GLN A 66 -8.651 5.714 -6.626 1.00 0.79 C ATOM 990 CD GLN A 66 -9.926 6.539 -6.521 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.929 7.627 -5.944 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.015 6.021 -7.078 1.00 1.31 N ATOM 0 H GLN A 66 -8.996 2.154 -4.964 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.779 3.371 -7.267 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.757 4.132 -5.676 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.463 4.789 -4.693 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -7.791 6.326 -6.356 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -8.502 5.392 -7.657 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -10.967 5.116 -7.546 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.899 6.528 -7.038 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.198 3.307 -4.369 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.896 3.474 -3.737 1.00 0.27 C ATOM 1003 C ALA A 67 -3.915 2.448 -4.287 1.00 0.26 C ATOM 1004 O ALA A 67 -2.765 2.772 -4.587 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.021 3.316 -2.225 1.00 0.29 C ATOM 0 H ALA A 67 -6.922 2.942 -3.750 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.524 4.475 -3.957 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.042 3.443 -1.764 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.706 4.069 -1.836 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.405 2.323 -1.994 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.379 1.210 -4.427 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.545 0.137 -4.953 1.00 0.28 C ATOM 1013 C LYS A 68 -2.955 0.551 -6.294 1.00 0.31 C ATOM 1014 O LYS A 68 -1.735 0.542 -6.480 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.374 -1.136 -5.113 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.536 -2.290 -5.659 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.114 -2.836 -6.962 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.203 -3.889 -7.587 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.679 -4.283 -8.943 1.00 0.88 N ATOM 0 H LYS A 68 -5.328 0.926 -4.183 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.731 -0.059 -4.254 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.798 -1.418 -4.149 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.210 -0.944 -5.785 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.514 -1.950 -5.828 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.489 -3.088 -4.918 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.095 -3.271 -6.771 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.260 -2.017 -7.666 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.187 -3.500 -7.655 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.165 -4.768 -6.943 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.039 -5.000 -9.341 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.639 -4.677 -8.873 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.692 -3.448 -9.563 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.827 0.927 -7.225 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.393 1.359 -8.547 1.00 0.43 C ATOM 1035 C ARG A 69 -2.617 2.665 -8.439 1.00 0.42 C ATOM 1036 O ARG A 69 -1.720 2.934 -9.237 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.600 1.544 -9.463 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.200 1.499 -10.936 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.391 1.178 -11.834 1.00 1.36 C ATOM 1040 NE ARG A 69 -5.040 0.140 -12.795 1.00 1.81 N ATOM 1041 CZ ARG A 69 -5.957 -0.436 -13.568 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.081 -0.895 -13.035 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -5.751 -0.552 -14.872 1.00 2.98 N ATOM 0 H ARG A 69 -4.838 0.941 -7.087 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.743 0.594 -8.971 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.334 0.764 -9.261 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -5.080 2.498 -9.245 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.773 2.459 -11.227 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.423 0.748 -11.079 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -6.234 0.849 -11.226 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.709 2.077 -12.361 1.00 1.36 H new ATOM 0 HE ARG A 69 -4.066 -0.152 -12.877 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -7.243 -0.807 -12.032 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -7.784 -1.336 -13.628 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -4.888 -0.199 -15.285 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -6.456 -0.994 -15.462 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.966 3.469 -7.438 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.300 4.747 -7.214 1.00 0.43 C ATOM 1059 C GLU A 70 -0.825 4.526 -6.906 1.00 0.44 C ATOM 1060 O GLU A 70 0.005 5.402 -7.145 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.967 5.490 -6.060 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.316 6.850 -5.817 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.078 7.942 -6.556 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.912 7.604 -7.423 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -2.842 9.133 -6.267 1.00 1.50 O ATOM 0 H GLU A 70 -3.707 3.257 -6.769 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.384 5.348 -8.119 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.026 5.627 -6.278 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.903 4.888 -5.154 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.300 7.067 -4.749 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.279 6.830 -6.153 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.504 3.348 -6.379 1.00 0.40 N ATOM 1073 CA LEU A 71 0.873 3.009 -6.046 1.00 0.47 C ATOM 1074 C LEU A 71 1.597 2.491 -7.280 1.00 0.52 C ATOM 1075 O LEU A 71 2.636 3.020 -7.670 1.00 0.60 O ATOM 1076 CB LEU A 71 0.904 1.958 -4.943 1.00 0.51 C ATOM 1077 CG LEU A 71 0.259 2.473 -3.660 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.019 1.323 -2.697 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.139 3.531 -3.001 1.00 1.15 C ATOM 0 H LEU A 71 -1.180 2.613 -6.174 1.00 0.40 H new ATOM 0 HA LEU A 71 1.379 3.907 -5.690 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.383 1.062 -5.279 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.936 1.670 -4.742 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.693 2.937 -3.919 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.479 1.712 -1.789 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -0.694 0.609 -3.168 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.917 0.825 -2.445 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.661 3.885 -2.088 1.00 1.15 H new ATOM 0 HD22 LEU A 71 2.109 3.097 -2.758 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.277 4.368 -3.686 1.00 1.15 H new ATOM 1091 N LEU A 72 1.041 1.456 -7.898 1.00 0.52 N ATOM 1092 CA LEU A 72 1.638 0.878 -9.094 1.00 0.63 C ATOM 1093 C LEU A 72 1.879 1.955 -10.149 1.00 0.67 C ATOM 1094 O LEU A 72 2.735 1.802 -11.019 1.00 0.83 O ATOM 1095 CB LEU A 72 0.716 -0.201 -9.655 1.00 0.66 C ATOM 1096 CG LEU A 72 0.996 -1.579 -9.048 1.00 0.88 C ATOM 1097 CD1 LEU A 72 1.204 -1.499 -7.535 1.00 1.04 C ATOM 1098 CD2 LEU A 72 -0.143 -2.537 -9.374 1.00 1.99 C ATOM 0 H LEU A 72 0.181 1.002 -7.592 1.00 0.52 H new ATOM 0 HA LEU A 72 2.598 0.435 -8.828 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.321 0.074 -9.462 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.837 -0.252 -10.737 1.00 0.66 H new ATOM 0 HG LEU A 72 1.919 -1.955 -9.489 1.00 0.88 H new ATOM 0 HD11 LEU A 72 1.400 -2.496 -7.141 1.00 1.04 H new ATOM 0 HD12 LEU A 72 2.053 -0.850 -7.318 1.00 1.04 H new ATOM 0 HD13 LEU A 72 0.308 -1.093 -7.065 1.00 1.04 H new ATOM 0 HD21 LEU A 72 0.067 -3.514 -8.938 1.00 1.99 H new ATOM 0 HD22 LEU A 72 -1.074 -2.148 -8.963 1.00 1.99 H new ATOM 0 HD23 LEU A 72 -0.237 -2.636 -10.455 1.00 1.99 H new ATOM 1110 N GLU A 73 1.114 3.042 -10.068 1.00 0.64 N ATOM 1111 CA GLU A 73 1.241 4.139 -11.021 1.00 0.74 C ATOM 1112 C GLU A 73 1.987 5.316 -10.401 1.00 0.71 C ATOM 1113 O GLU A 73 3.081 5.670 -10.840 1.00 0.88 O ATOM 1114 CB GLU A 73 -0.144 4.587 -11.474 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.557 3.904 -12.774 1.00 1.00 C ATOM 1116 CD GLU A 73 -1.867 4.488 -13.287 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -2.209 5.621 -12.888 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -2.547 3.813 -14.087 1.00 2.05 O ATOM 0 H GLU A 73 0.401 3.185 -9.353 1.00 0.64 H new ATOM 0 HA GLU A 73 1.811 3.786 -11.880 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.873 4.361 -10.696 1.00 0.82 H new ATOM 0 HB3 GLU A 73 -0.150 5.668 -11.612 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.224 4.032 -13.524 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.669 2.832 -12.610 1.00 1.00 H new ATOM 1125 N LEU A 74 1.385 5.926 -9.385 1.00 0.64 N ATOM 1126 CA LEU A 74 1.985 7.072 -8.708 1.00 0.71 C ATOM 1127 C LEU A 74 2.757 6.629 -7.473 1.00 0.82 C ATOM 1128 O LEU A 74 2.705 7.280 -6.429 1.00 1.13 O ATOM 1129 CB LEU A 74 0.900 8.064 -8.306 1.00 0.85 C ATOM 1130 CG LEU A 74 -0.103 8.286 -9.434 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -1.288 9.115 -8.947 1.00 1.19 C ATOM 1132 CD2 LEU A 74 0.570 8.956 -10.629 1.00 1.32 C ATOM 0 H LEU A 74 0.479 5.645 -9.011 1.00 0.64 H new ATOM 0 HA LEU A 74 2.680 7.552 -9.398 1.00 0.71 H new ATOM 0 HB2 LEU A 74 0.379 7.696 -7.422 1.00 0.85 H new ATOM 0 HB3 LEU A 74 1.358 9.015 -8.033 1.00 0.85 H new ATOM 0 HG LEU A 74 -0.477 7.314 -9.754 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.991 9.262 -9.767 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -1.787 8.593 -8.131 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.934 10.084 -8.595 1.00 1.19 H new ATOM 0 HD21 LEU A 74 -0.162 9.105 -11.422 1.00 1.32 H new ATOM 0 HD22 LEU A 74 0.977 9.920 -10.324 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.377 8.321 -10.995 1.00 1.32 H new ATOM 1144 N ALA A 75 3.469 5.517 -7.597 1.00 0.78 N ATOM 1145 CA ALA A 75 4.255 4.973 -6.493 1.00 0.99 C ATOM 1146 C ALA A 75 5.107 6.062 -5.851 1.00 1.70 C ATOM 1147 O ALA A 75 6.183 6.396 -6.347 1.00 2.16 O ATOM 1148 CB ALA A 75 5.151 3.847 -7.000 1.00 1.14 C ATOM 0 H ALA A 75 3.520 4.970 -8.456 1.00 0.78 H new ATOM 0 HA ALA A 75 3.570 4.580 -5.741 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.735 3.445 -6.172 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.535 3.056 -7.427 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.825 4.234 -7.764 1.00 1.14 H new ATOM 1154 N SER A 76 4.619 6.614 -4.744 1.00 2.17 N ATOM 1155 CA SER A 76 5.334 7.666 -4.033 1.00 3.01 C ATOM 1156 C SER A 76 6.487 7.078 -3.230 1.00 3.57 C ATOM 1157 O SER A 76 6.992 6.002 -3.615 1.00 4.23 O ATOM 1158 CB SER A 76 4.381 8.408 -3.102 1.00 3.63 C ATOM 1159 OG SER A 76 3.073 8.438 -3.656 1.00 4.36 O ATOM 1160 OXT SER A 76 6.884 7.694 -2.218 1.00 3.89 O ATOM 0 H SER A 76 3.730 6.349 -4.320 1.00 2.17 H new ATOM 0 HA SER A 76 5.738 8.366 -4.765 1.00 3.01 H new ATOM 0 HB2 SER A 76 4.359 7.919 -2.128 1.00 3.63 H new ATOM 0 HB3 SER A 76 4.738 9.425 -2.940 1.00 3.63 H new ATOM 0 HG SER A 76 2.471 8.916 -3.048 1.00 4.36 H new TER 1166 SER A 76