USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1099 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 20 ASN :FLIP amide:sc= -0.889 F(o=-1.7,f=-0.93) USER MOD Set 1.2: A 24 ASN :FLIP amide:sc= 0 X(o=-1.3,f=-0.93) USER MOD Set 1.3: A 30 THR OG1 : rot 76:sc= 0.0759 USER MOD Set 1.4: A 32 GLN :FLIP amide:sc= -0.119 F(o=-2,f=-0.93) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -179:sc= 1.73 (180deg=0.92) USER MOD Set 2.2: A 29 GLN : amide:sc= -0.333! C(o=1.4!,f=-3.2!) USER MOD Set 3.1: A 1 MET CE :methyl 137:sc= -0.424 (180deg=-1.39!) USER MOD Set 3.2: A 3 ASN : amide:sc= 0 K(o=-0.42,f=-1.5) USER MOD Single : A 1 MET N :NH3+ -131:sc= 1.43 (180deg=-0.55) USER MOD Single : A 2 MET CE :methyl -170:sc= -1.75! (180deg=-2.24!) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.204 F(o=-1.5,f=-0.2) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= -0.114 (180deg=-0.69) USER MOD Single : A 28 TYR OH : rot 94:sc= 0.712 USER MOD Single : A 35 ASN :FLIP amide:sc= -3.31! C(o=-8.4!,f=-3.3!) USER MOD Single : A 38 GLN :FLIP amide:sc= -4.93! C(o=-8.7!,f=-4.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= -1.64! (180deg=-3.15!) USER MOD Single : A 55 MET CE :methyl -147:sc= -0.441 (180deg=-1.61!) USER MOD Single : A 56 LYS NZ :NH3+ -119:sc= -3.16! (180deg=-6.6!) USER MOD Single : A 60 MET CE :methyl -155:sc= -0.278 (180deg=-1.12) USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 1.88 (180deg=1.78) USER MOD Single : A 69 MET CE :methyl 151:sc= -6.76! (180deg=-8.92!) USER MOD Single : A 70 LYS NZ :NH3+ -145:sc= -0.844 (180deg=-2.15!) USER MOD Single : A 75 ASN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 81 MET CE :methyl 174:sc= -2.25! (180deg=-2.26!) USER MOD Single : A 82 THR OG1 : rot -43:sc= 1.69 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.866 K(o=-0.87,f=-4.2!) USER MOD Single : A 93 SER OG : rot 170:sc= 0.264 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 160:sc= -3.94! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -164:sc= 1.25 (180deg=1.19) USER MOD Single : A 117 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.369) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0421) USER MOD Single : A 123 SER OG : rot 3:sc= 0.919 USER MOD Single : A 124 ASN : amide:sc= 0.703 K(o=0.7,f=-11!) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.762 X(o=-0.76,f=-0.96) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.929 14.892 -7.365 1.00 4.15 N ATOM 2 CA MET A 1 6.822 13.905 -7.387 1.00 3.53 C ATOM 3 C MET A 1 6.276 13.739 -5.983 1.00 2.88 C ATOM 4 O MET A 1 6.521 14.581 -5.120 1.00 3.29 O ATOM 5 CB MET A 1 7.298 12.540 -7.909 1.00 3.87 C ATOM 6 CG MET A 1 8.104 12.601 -9.195 1.00 4.48 C ATOM 7 SD MET A 1 9.828 13.035 -8.904 1.00 5.46 S ATOM 8 CE MET A 1 10.355 11.658 -7.883 1.00 6.07 C ATOM 0 H1 MET A 1 7.783 15.595 -8.118 1.00 4.15 H new ATOM 0 H2 MET A 1 7.948 15.372 -6.442 1.00 4.15 H new ATOM 0 H3 MET A 1 8.834 14.403 -7.520 1.00 4.15 H new ATOM 0 HA MET A 1 6.047 14.275 -8.058 1.00 3.53 H new ATOM 0 HB2 MET A 1 7.903 12.062 -7.139 1.00 3.87 H new ATOM 0 HB3 MET A 1 6.428 11.904 -8.071 1.00 3.87 H new ATOM 0 HG2 MET A 1 8.055 11.635 -9.698 1.00 4.48 H new ATOM 0 HG3 MET A 1 7.656 13.333 -9.867 1.00 4.48 H new ATOM 0 HE1 MET A 1 11.338 11.319 -8.209 1.00 6.07 H new ATOM 0 HE2 MET A 1 10.408 11.976 -6.842 1.00 6.07 H new ATOM 0 HE3 MET A 1 9.640 10.841 -7.977 1.00 6.07 H new ATOM 20 N MET A 2 5.544 12.653 -5.748 1.00 2.34 N ATOM 21 CA MET A 2 5.060 12.345 -4.406 1.00 1.89 C ATOM 22 C MET A 2 6.235 11.892 -3.546 1.00 1.54 C ATOM 23 O MET A 2 6.160 11.908 -2.318 1.00 2.12 O ATOM 24 CB MET A 2 3.983 11.252 -4.432 1.00 1.97 C ATOM 25 CG MET A 2 3.131 11.245 -5.691 1.00 2.44 C ATOM 26 SD MET A 2 2.345 12.830 -6.036 1.00 3.03 S ATOM 27 CE MET A 2 1.770 12.527 -7.702 1.00 3.88 C ATOM 0 H MET A 2 5.275 11.977 -6.463 1.00 2.34 H new ATOM 0 HA MET A 2 4.609 13.244 -3.986 1.00 1.89 H new ATOM 0 HB2 MET A 2 4.465 10.280 -4.328 1.00 1.97 H new ATOM 0 HB3 MET A 2 3.332 11.379 -3.567 1.00 1.97 H new ATOM 0 HG2 MET A 2 3.754 10.965 -6.540 1.00 2.44 H new ATOM 0 HG3 MET A 2 2.361 10.480 -5.595 1.00 2.44 H new ATOM 0 HE1 MET A 2 1.416 13.460 -8.140 1.00 3.88 H new ATOM 0 HE2 MET A 2 2.589 12.132 -8.303 1.00 3.88 H new ATOM 0 HE3 MET A 2 0.955 11.804 -7.680 1.00 3.88 H new ATOM 37 N ASN A 3 7.315 11.485 -4.230 1.00 0.88 N ATOM 38 CA ASN A 3 8.584 11.109 -3.598 1.00 0.71 C ATOM 39 C ASN A 3 8.478 9.755 -2.931 1.00 0.66 C ATOM 40 O ASN A 3 9.082 9.532 -1.885 1.00 1.42 O ATOM 41 CB ASN A 3 9.031 12.162 -2.578 1.00 0.84 C ATOM 42 CG ASN A 3 9.345 13.493 -3.224 1.00 1.38 C ATOM 43 OD1 ASN A 3 9.751 13.552 -4.386 1.00 2.35 O ATOM 44 ND2 ASN A 3 9.170 14.569 -2.477 1.00 1.61 N ATOM 0 H ASN A 3 7.330 11.408 -5.247 1.00 0.88 H new ATOM 0 HA ASN A 3 9.335 11.052 -4.386 1.00 0.71 H new ATOM 0 HB2 ASN A 3 8.247 12.299 -1.833 1.00 0.84 H new ATOM 0 HB3 ASN A 3 9.913 11.801 -2.049 1.00 0.84 H new ATOM 0 HD21 ASN A 3 9.373 15.493 -2.858 1.00 1.61 H new ATOM 0 HD22 ASN A 3 8.832 14.475 -1.519 1.00 1.61 H new ATOM 51 N GLU A 4 7.718 8.856 -3.553 1.00 0.57 N ATOM 52 CA GLU A 4 7.511 7.511 -3.027 1.00 0.38 C ATOM 53 C GLU A 4 6.678 7.575 -1.741 1.00 0.32 C ATOM 54 O GLU A 4 7.189 7.812 -0.643 1.00 0.50 O ATOM 55 CB GLU A 4 8.864 6.797 -2.833 1.00 0.52 C ATOM 56 CG GLU A 4 8.779 5.482 -2.092 1.00 0.64 C ATOM 57 CD GLU A 4 9.951 4.556 -2.343 1.00 1.56 C ATOM 58 OE1 GLU A 4 10.016 3.957 -3.435 1.00 1.85 O ATOM 59 OE2 GLU A 4 10.811 4.428 -1.451 1.00 2.30 O ATOM 0 H GLU A 4 7.231 9.039 -4.431 1.00 0.57 H new ATOM 0 HA GLU A 4 6.945 6.916 -3.744 1.00 0.38 H new ATOM 0 HB2 GLU A 4 9.310 6.620 -3.811 1.00 0.52 H new ATOM 0 HB3 GLU A 4 9.537 7.462 -2.291 1.00 0.52 H new ATOM 0 HG2 GLU A 4 8.711 5.683 -1.023 1.00 0.64 H new ATOM 0 HG3 GLU A 4 7.859 4.973 -2.380 1.00 0.64 H new ATOM 66 N LYS A 5 5.371 7.406 -1.904 1.00 0.21 N ATOM 67 CA LYS A 5 4.419 7.584 -0.814 1.00 0.14 C ATOM 68 C LYS A 5 3.448 6.420 -0.756 1.00 0.11 C ATOM 69 O LYS A 5 3.051 5.874 -1.790 1.00 0.12 O ATOM 70 CB LYS A 5 3.637 8.875 -1.029 1.00 0.16 C ATOM 71 CG LYS A 5 2.969 9.379 0.229 1.00 0.16 C ATOM 72 CD LYS A 5 3.569 10.693 0.687 1.00 0.30 C ATOM 73 CE LYS A 5 3.415 11.799 -0.340 1.00 0.54 C ATOM 74 NZ LYS A 5 3.982 13.077 0.165 1.00 0.80 N ATOM 0 H LYS A 5 4.943 7.143 -2.791 1.00 0.21 H new ATOM 0 HA LYS A 5 4.971 7.631 0.125 1.00 0.14 H new ATOM 0 HB2 LYS A 5 4.312 9.643 -1.408 1.00 0.16 H new ATOM 0 HB3 LYS A 5 2.879 8.711 -1.795 1.00 0.16 H new ATOM 0 HG2 LYS A 5 1.902 9.508 0.049 1.00 0.16 H new ATOM 0 HG3 LYS A 5 3.071 8.636 1.020 1.00 0.16 H new ATOM 0 HD2 LYS A 5 3.093 10.999 1.618 1.00 0.30 H new ATOM 0 HD3 LYS A 5 4.628 10.548 0.903 1.00 0.30 H new ATOM 0 HE2 LYS A 5 3.917 11.514 -1.265 1.00 0.54 H new ATOM 0 HE3 LYS A 5 2.360 11.934 -0.579 1.00 0.54 H new ATOM 0 HZ1 LYS A 5 3.849 13.822 -0.549 1.00 0.80 H new ATOM 0 HZ2 LYS A 5 3.497 13.349 1.044 1.00 0.80 H new ATOM 0 HZ3 LYS A 5 4.997 12.956 0.354 1.00 0.80 H new ATOM 88 N ILE A 6 3.041 6.070 0.450 1.00 0.10 N ATOM 89 CA ILE A 6 2.184 4.927 0.656 1.00 0.09 C ATOM 90 C ILE A 6 1.080 5.224 1.652 1.00 0.08 C ATOM 91 O ILE A 6 1.185 6.126 2.476 1.00 0.08 O ATOM 92 CB ILE A 6 3.009 3.698 1.106 1.00 0.10 C ATOM 93 CG1 ILE A 6 3.389 2.857 -0.099 1.00 0.14 C ATOM 94 CG2 ILE A 6 2.280 2.850 2.144 1.00 0.10 C ATOM 95 CD1 ILE A 6 4.443 1.838 0.223 1.00 0.20 C ATOM 0 H ILE A 6 3.294 6.567 1.304 1.00 0.10 H new ATOM 0 HA ILE A 6 1.711 4.698 -0.299 1.00 0.09 H new ATOM 0 HB ILE A 6 3.913 4.073 1.587 1.00 0.10 H new ATOM 0 HG12 ILE A 6 2.502 2.350 -0.479 1.00 0.14 H new ATOM 0 HG13 ILE A 6 3.749 3.509 -0.895 1.00 0.14 H new ATOM 0 HG21 ILE A 6 2.904 2.001 2.424 1.00 0.10 H new ATOM 0 HG22 ILE A 6 2.072 3.455 3.027 1.00 0.10 H new ATOM 0 HG23 ILE A 6 1.342 2.487 1.724 1.00 0.10 H new ATOM 0 HD11 ILE A 6 4.679 1.263 -0.672 1.00 0.20 H new ATOM 0 HD12 ILE A 6 5.342 2.343 0.577 1.00 0.20 H new ATOM 0 HD13 ILE A 6 4.075 1.167 0.999 1.00 0.20 H new ATOM 107 N LEU A 7 0.020 4.459 1.539 1.00 0.09 N ATOM 108 CA LEU A 7 -1.123 4.570 2.405 1.00 0.08 C ATOM 109 C LEU A 7 -1.524 3.168 2.843 1.00 0.09 C ATOM 110 O LEU A 7 -2.000 2.388 2.033 1.00 0.17 O ATOM 111 CB LEU A 7 -2.242 5.190 1.597 1.00 0.10 C ATOM 112 CG LEU A 7 -3.215 6.050 2.358 1.00 0.10 C ATOM 113 CD1 LEU A 7 -4.131 6.748 1.371 1.00 0.12 C ATOM 114 CD2 LEU A 7 -4.019 5.218 3.342 1.00 0.12 C ATOM 0 H LEU A 7 -0.071 3.731 0.830 1.00 0.09 H new ATOM 0 HA LEU A 7 -0.907 5.179 3.283 1.00 0.08 H new ATOM 0 HB2 LEU A 7 -1.799 5.793 0.805 1.00 0.10 H new ATOM 0 HB3 LEU A 7 -2.800 4.388 1.113 1.00 0.10 H new ATOM 0 HG LEU A 7 -2.665 6.795 2.933 1.00 0.10 H new ATOM 0 HD11 LEU A 7 -4.840 7.374 1.913 1.00 0.12 H new ATOM 0 HD12 LEU A 7 -3.537 7.369 0.700 1.00 0.12 H new ATOM 0 HD13 LEU A 7 -4.675 6.003 0.790 1.00 0.12 H new ATOM 0 HD21 LEU A 7 -4.715 5.862 3.880 1.00 0.12 H new ATOM 0 HD22 LEU A 7 -4.576 4.453 2.801 1.00 0.12 H new ATOM 0 HD23 LEU A 7 -3.344 4.741 4.052 1.00 0.12 H new ATOM 126 N ILE A 8 -1.312 2.832 4.096 1.00 0.09 N ATOM 127 CA ILE A 8 -1.663 1.499 4.570 1.00 0.10 C ATOM 128 C ILE A 8 -3.014 1.536 5.244 1.00 0.11 C ATOM 129 O ILE A 8 -3.135 2.066 6.338 1.00 0.13 O ATOM 130 CB ILE A 8 -0.670 0.922 5.597 1.00 0.12 C ATOM 131 CG1 ILE A 8 0.782 1.276 5.271 1.00 0.14 C ATOM 132 CG2 ILE A 8 -0.831 -0.588 5.684 1.00 0.15 C ATOM 133 CD1 ILE A 8 1.199 2.609 5.828 1.00 0.22 C ATOM 0 H ILE A 8 -0.905 3.447 4.800 1.00 0.09 H new ATOM 0 HA ILE A 8 -1.653 0.864 3.684 1.00 0.10 H new ATOM 0 HB ILE A 8 -0.903 1.375 6.561 1.00 0.12 H new ATOM 0 HG12 ILE A 8 1.437 0.501 5.668 1.00 0.14 H new ATOM 0 HG13 ILE A 8 0.915 1.282 4.189 1.00 0.14 H new ATOM 0 HG21 ILE A 8 -0.125 -0.988 6.412 1.00 0.15 H new ATOM 0 HG22 ILE A 8 -1.848 -0.828 5.994 1.00 0.15 H new ATOM 0 HG23 ILE A 8 -0.635 -1.032 4.708 1.00 0.15 H new ATOM 0 HD11 ILE A 8 2.238 2.805 5.564 1.00 0.22 H new ATOM 0 HD12 ILE A 8 0.565 3.392 5.411 1.00 0.22 H new ATOM 0 HD13 ILE A 8 1.096 2.598 6.913 1.00 0.22 H new ATOM 145 N VAL A 9 -4.021 0.979 4.608 1.00 0.17 N ATOM 146 CA VAL A 9 -5.343 0.943 5.196 1.00 0.18 C ATOM 147 C VAL A 9 -5.574 -0.396 5.873 1.00 0.18 C ATOM 148 O VAL A 9 -6.042 -1.332 5.249 1.00 0.28 O ATOM 149 CB VAL A 9 -6.439 1.189 4.150 1.00 0.19 C ATOM 150 CG1 VAL A 9 -7.822 1.173 4.791 1.00 0.23 C ATOM 151 CG2 VAL A 9 -6.174 2.506 3.456 1.00 0.26 C ATOM 0 H VAL A 9 -3.951 0.546 3.687 1.00 0.17 H new ATOM 0 HA VAL A 9 -5.397 1.744 5.933 1.00 0.18 H new ATOM 0 HB VAL A 9 -6.418 0.386 3.413 1.00 0.19 H new ATOM 0 HG11 VAL A 9 -8.579 1.350 4.027 1.00 0.23 H new ATOM 0 HG12 VAL A 9 -7.996 0.203 5.257 1.00 0.23 H new ATOM 0 HG13 VAL A 9 -7.881 1.955 5.548 1.00 0.23 H new ATOM 0 HG21 VAL A 9 -6.949 2.687 2.711 1.00 0.26 H new ATOM 0 HG22 VAL A 9 -6.180 3.312 4.190 1.00 0.26 H new ATOM 0 HG23 VAL A 9 -5.201 2.470 2.966 1.00 0.26 H new ATOM 161 N ASP A 10 -5.196 -0.480 7.135 1.00 0.17 N ATOM 162 CA ASP A 10 -5.383 -1.690 7.927 1.00 0.18 C ATOM 163 C ASP A 10 -5.942 -1.319 9.304 1.00 0.17 C ATOM 164 O ASP A 10 -5.546 -0.310 9.882 1.00 0.32 O ATOM 165 CB ASP A 10 -4.056 -2.439 8.066 1.00 0.30 C ATOM 166 CG ASP A 10 -4.055 -3.436 9.204 1.00 1.02 C ATOM 167 OD1 ASP A 10 -4.972 -4.278 9.240 1.00 1.26 O ATOM 168 OD2 ASP A 10 -3.145 -3.377 10.059 1.00 1.82 O ATOM 0 H ASP A 10 -4.751 0.285 7.643 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.093 -2.346 7.424 1.00 0.18 H new ATOM 0 HB2 ASP A 10 -3.840 -2.961 7.133 1.00 0.30 H new ATOM 0 HB3 ASP A 10 -3.253 -1.718 8.221 1.00 0.30 H new ATOM 173 N ASP A 11 -6.862 -2.114 9.826 1.00 0.29 N ATOM 174 CA ASP A 11 -7.510 -1.783 11.099 1.00 0.31 C ATOM 175 C ASP A 11 -6.728 -2.343 12.268 1.00 0.37 C ATOM 176 O ASP A 11 -6.448 -1.627 13.236 1.00 0.46 O ATOM 177 CB ASP A 11 -8.945 -2.296 11.156 1.00 0.36 C ATOM 178 CG ASP A 11 -9.627 -1.947 12.464 1.00 0.41 C ATOM 179 OD1 ASP A 11 -9.874 -0.748 12.708 1.00 0.44 O ATOM 180 OD2 ASP A 11 -9.925 -2.869 13.247 1.00 0.51 O ATOM 0 H ASP A 11 -7.179 -2.985 9.399 1.00 0.29 H new ATOM 0 HA ASP A 11 -7.530 -0.695 11.167 1.00 0.31 H new ATOM 0 HB2 ASP A 11 -9.513 -1.873 10.328 1.00 0.36 H new ATOM 0 HB3 ASP A 11 -8.948 -3.378 11.024 1.00 0.36 H new ATOM 185 N GLN A 12 -6.382 -3.621 12.190 1.00 0.43 N ATOM 186 CA GLN A 12 -5.510 -4.219 13.181 1.00 0.54 C ATOM 187 C GLN A 12 -4.089 -3.779 12.903 1.00 0.49 C ATOM 188 O GLN A 12 -3.245 -4.554 12.451 1.00 0.68 O ATOM 189 CB GLN A 12 -5.667 -5.738 13.211 1.00 0.79 C ATOM 190 CG GLN A 12 -5.749 -6.381 11.842 1.00 0.71 C ATOM 191 CD GLN A 12 -6.051 -7.861 11.916 1.00 1.24 C ATOM 192 OE1 GLN A 12 -5.013 -8.672 12.063 1.00 1.80 O flip ATOM 193 NE2 GLN A 12 -7.209 -8.276 11.867 1.00 2.07 N flip ATOM 0 H GLN A 12 -6.691 -4.256 11.455 1.00 0.43 H new ATOM 0 HA GLN A 12 -5.786 -3.877 14.178 1.00 0.54 H new ATOM 0 HB2 GLN A 12 -4.825 -6.168 13.752 1.00 0.79 H new ATOM 0 HB3 GLN A 12 -6.568 -5.988 13.772 1.00 0.79 H new ATOM 0 HG2 GLN A 12 -6.522 -5.884 11.256 1.00 0.71 H new ATOM 0 HG3 GLN A 12 -4.806 -6.231 11.317 1.00 0.71 H new ATOM 0 HE21 GLN A 12 -7.982 -7.620 11.753 1.00 2.07 H new ATOM 0 HE22 GLN A 12 -7.396 -9.276 11.940 1.00 2.07 H new ATOM 202 N TYR A 13 -3.883 -2.500 13.231 1.00 0.37 N ATOM 203 CA TYR A 13 -2.714 -1.688 12.869 1.00 0.31 C ATOM 204 C TYR A 13 -1.355 -2.357 13.046 1.00 0.32 C ATOM 205 O TYR A 13 -0.356 -1.791 12.606 1.00 0.32 O ATOM 206 CB TYR A 13 -2.729 -0.364 13.642 1.00 0.35 C ATOM 207 CG TYR A 13 -2.562 -0.503 15.138 1.00 0.53 C ATOM 208 CD1 TYR A 13 -3.665 -0.672 15.968 1.00 0.86 C ATOM 209 CD2 TYR A 13 -1.302 -0.476 15.719 1.00 0.70 C ATOM 210 CE1 TYR A 13 -3.516 -0.806 17.333 1.00 1.12 C ATOM 211 CE2 TYR A 13 -1.146 -0.613 17.083 1.00 0.98 C ATOM 212 CZ TYR A 13 -2.256 -0.739 17.890 1.00 1.14 C ATOM 213 OH TYR A 13 -2.103 -0.912 19.247 1.00 1.44 O ATOM 0 H TYR A 13 -4.560 -1.975 13.784 1.00 0.37 H new ATOM 0 HA TYR A 13 -2.820 -1.529 11.796 1.00 0.31 H new ATOM 0 HB2 TYR A 13 -1.932 0.273 13.259 1.00 0.35 H new ATOM 0 HB3 TYR A 13 -3.670 0.147 13.441 1.00 0.35 H new ATOM 0 HD1 TYR A 13 -4.655 -0.699 15.537 1.00 0.86 H new ATOM 0 HD2 TYR A 13 -0.431 -0.346 15.094 1.00 0.70 H new ATOM 0 HE1 TYR A 13 -4.380 -0.962 17.961 1.00 1.12 H new ATOM 0 HE2 TYR A 13 -0.157 -0.621 17.517 1.00 0.98 H new ATOM 0 HH TYR A 13 -1.154 -0.837 19.481 1.00 1.44 H new ATOM 223 N GLY A 14 -1.287 -3.487 13.734 1.00 0.35 N ATOM 224 CA GLY A 14 -0.060 -4.255 13.744 1.00 0.38 C ATOM 225 C GLY A 14 0.511 -4.375 12.345 1.00 0.35 C ATOM 226 O GLY A 14 1.598 -3.880 12.070 1.00 0.36 O ATOM 0 H GLY A 14 -2.052 -3.883 14.281 1.00 0.35 H new ATOM 0 HA2 GLY A 14 0.668 -3.777 14.399 1.00 0.38 H new ATOM 0 HA3 GLY A 14 -0.251 -5.248 14.150 1.00 0.38 H new ATOM 230 N ILE A 15 -0.265 -4.945 11.431 1.00 0.37 N ATOM 231 CA ILE A 15 0.166 -5.089 10.043 1.00 0.40 C ATOM 232 C ILE A 15 0.461 -3.730 9.437 1.00 0.30 C ATOM 233 O ILE A 15 1.307 -3.587 8.558 1.00 0.29 O ATOM 234 CB ILE A 15 -0.939 -5.732 9.196 1.00 0.54 C ATOM 235 CG1 ILE A 15 -1.495 -6.969 9.895 1.00 0.80 C ATOM 236 CG2 ILE A 15 -0.441 -6.060 7.795 1.00 0.79 C ATOM 237 CD1 ILE A 15 -2.989 -6.926 10.038 1.00 0.75 C ATOM 0 H ILE A 15 -1.196 -5.315 11.624 1.00 0.37 H new ATOM 0 HA ILE A 15 1.059 -5.714 10.045 1.00 0.40 H new ATOM 0 HB ILE A 15 -1.750 -5.012 9.089 1.00 0.54 H new ATOM 0 HG12 ILE A 15 -1.213 -7.858 9.332 1.00 0.80 H new ATOM 0 HG13 ILE A 15 -1.041 -7.059 10.882 1.00 0.80 H new ATOM 0 HG21 ILE A 15 -1.247 -6.515 7.219 1.00 0.79 H new ATOM 0 HG22 ILE A 15 -0.114 -5.145 7.302 1.00 0.79 H new ATOM 0 HG23 ILE A 15 0.395 -6.756 7.860 1.00 0.79 H new ATOM 0 HD11 ILE A 15 -3.332 -7.830 10.542 1.00 0.75 H new ATOM 0 HD12 ILE A 15 -3.273 -6.053 10.625 1.00 0.75 H new ATOM 0 HD13 ILE A 15 -3.447 -6.864 9.051 1.00 0.75 H new ATOM 249 N ARG A 16 -0.213 -2.735 9.960 1.00 0.25 N ATOM 250 CA ARG A 16 -0.249 -1.437 9.336 1.00 0.19 C ATOM 251 C ARG A 16 1.019 -0.675 9.628 1.00 0.20 C ATOM 252 O ARG A 16 1.581 -0.054 8.743 1.00 0.22 O ATOM 253 CB ARG A 16 -1.444 -0.640 9.826 1.00 0.16 C ATOM 254 CG ARG A 16 -2.015 0.270 8.766 1.00 0.14 C ATOM 255 CD ARG A 16 -2.531 1.557 9.358 1.00 0.12 C ATOM 256 NE ARG A 16 -3.606 1.354 10.322 1.00 0.16 N ATOM 257 CZ ARG A 16 -3.734 2.035 11.462 1.00 0.25 C ATOM 258 NH1 ARG A 16 -2.843 2.959 11.801 1.00 0.38 N ATOM 259 NH2 ARG A 16 -4.757 1.787 12.267 1.00 0.31 N ATOM 0 H ARG A 16 -0.749 -2.802 10.825 1.00 0.25 H new ATOM 0 HA ARG A 16 -0.338 -1.584 8.260 1.00 0.19 H new ATOM 0 HB2 ARG A 16 -2.219 -1.327 10.164 1.00 0.16 H new ATOM 0 HB3 ARG A 16 -1.148 -0.044 10.689 1.00 0.16 H new ATOM 0 HG2 ARG A 16 -1.248 0.492 8.024 1.00 0.14 H new ATOM 0 HG3 ARG A 16 -2.824 -0.241 8.244 1.00 0.14 H new ATOM 0 HD2 ARG A 16 -1.709 2.081 9.845 1.00 0.12 H new ATOM 0 HD3 ARG A 16 -2.888 2.202 8.555 1.00 0.12 H new ATOM 0 HE ARG A 16 -4.307 0.644 10.111 1.00 0.16 H new ATOM 0 HH11 ARG A 16 -2.052 3.154 11.188 1.00 0.38 H new ATOM 0 HH12 ARG A 16 -2.950 3.474 12.675 1.00 0.38 H new ATOM 0 HH21 ARG A 16 -5.444 1.077 12.014 1.00 0.31 H new ATOM 0 HH22 ARG A 16 -4.857 2.306 13.139 1.00 0.31 H new ATOM 273 N ILE A 17 1.458 -0.726 10.876 1.00 0.22 N ATOM 274 CA ILE A 17 2.686 -0.059 11.278 1.00 0.25 C ATOM 275 C ILE A 17 3.886 -0.909 10.894 1.00 0.29 C ATOM 276 O ILE A 17 4.987 -0.396 10.697 1.00 0.31 O ATOM 277 CB ILE A 17 2.716 0.232 12.795 1.00 0.31 C ATOM 278 CG1 ILE A 17 2.592 -1.069 13.598 1.00 0.35 C ATOM 279 CG2 ILE A 17 1.604 1.204 13.167 1.00 0.30 C ATOM 280 CD1 ILE A 17 2.714 -0.879 15.095 1.00 0.56 C ATOM 0 H ILE A 17 0.981 -1.223 11.629 1.00 0.22 H new ATOM 0 HA ILE A 17 2.727 0.897 10.756 1.00 0.25 H new ATOM 0 HB ILE A 17 3.673 0.691 13.042 1.00 0.31 H new ATOM 0 HG12 ILE A 17 1.629 -1.530 13.377 1.00 0.35 H new ATOM 0 HG13 ILE A 17 3.363 -1.765 13.266 1.00 0.35 H new ATOM 0 HG21 ILE A 17 1.636 1.401 14.239 1.00 0.30 H new ATOM 0 HG22 ILE A 17 1.740 2.138 12.622 1.00 0.30 H new ATOM 0 HG23 ILE A 17 0.639 0.770 12.907 1.00 0.30 H new ATOM 0 HD11 ILE A 17 2.616 -1.843 15.593 1.00 0.56 H new ATOM 0 HD12 ILE A 17 3.687 -0.447 15.329 1.00 0.56 H new ATOM 0 HD13 ILE A 17 1.927 -0.209 15.442 1.00 0.56 H new ATOM 292 N LEU A 18 3.660 -2.214 10.802 1.00 0.32 N ATOM 293 CA LEU A 18 4.642 -3.129 10.241 1.00 0.37 C ATOM 294 C LEU A 18 4.951 -2.711 8.808 1.00 0.33 C ATOM 295 O LEU A 18 6.067 -2.307 8.486 1.00 0.32 O ATOM 296 CB LEU A 18 4.103 -4.570 10.298 1.00 0.44 C ATOM 297 CG LEU A 18 4.539 -5.507 9.163 1.00 0.49 C ATOM 298 CD1 LEU A 18 6.043 -5.759 9.187 1.00 0.53 C ATOM 299 CD2 LEU A 18 3.783 -6.821 9.248 1.00 0.58 C ATOM 0 H LEU A 18 2.798 -2.663 11.112 1.00 0.32 H new ATOM 0 HA LEU A 18 5.564 -3.092 10.821 1.00 0.37 H new ATOM 0 HB2 LEU A 18 4.412 -5.013 11.245 1.00 0.44 H new ATOM 0 HB3 LEU A 18 3.014 -4.527 10.307 1.00 0.44 H new ATOM 0 HG LEU A 18 4.301 -5.018 8.218 1.00 0.49 H new ATOM 0 HD11 LEU A 18 6.313 -6.427 8.369 1.00 0.53 H new ATOM 0 HD12 LEU A 18 6.572 -4.813 9.073 1.00 0.53 H new ATOM 0 HD13 LEU A 18 6.320 -6.218 10.136 1.00 0.53 H new ATOM 0 HD21 LEU A 18 4.101 -7.477 8.438 1.00 0.58 H new ATOM 0 HD22 LEU A 18 3.991 -7.299 10.205 1.00 0.58 H new ATOM 0 HD23 LEU A 18 2.713 -6.631 9.162 1.00 0.58 H new ATOM 311 N LEU A 19 3.928 -2.785 7.978 1.00 0.30 N ATOM 312 CA LEU A 19 3.998 -2.396 6.577 1.00 0.27 C ATOM 313 C LEU A 19 4.432 -0.936 6.447 1.00 0.22 C ATOM 314 O LEU A 19 5.246 -0.590 5.582 1.00 0.22 O ATOM 315 CB LEU A 19 2.600 -2.594 5.991 1.00 0.31 C ATOM 316 CG LEU A 19 2.507 -3.030 4.537 1.00 0.57 C ATOM 317 CD1 LEU A 19 3.168 -4.389 4.330 1.00 1.23 C ATOM 318 CD2 LEU A 19 1.045 -3.079 4.131 1.00 1.15 C ATOM 0 H LEU A 19 3.008 -3.123 8.261 1.00 0.30 H new ATOM 0 HA LEU A 19 4.732 -3.000 6.043 1.00 0.27 H new ATOM 0 HB2 LEU A 19 2.082 -3.335 6.599 1.00 0.31 H new ATOM 0 HB3 LEU A 19 2.054 -1.657 6.097 1.00 0.31 H new ATOM 0 HG LEU A 19 3.036 -2.311 3.912 1.00 0.57 H new ATOM 0 HD11 LEU A 19 3.087 -4.677 3.282 1.00 1.23 H new ATOM 0 HD12 LEU A 19 4.220 -4.328 4.610 1.00 1.23 H new ATOM 0 HD13 LEU A 19 2.670 -5.134 4.950 1.00 1.23 H new ATOM 0 HD21 LEU A 19 0.967 -3.391 3.089 1.00 1.15 H new ATOM 0 HD22 LEU A 19 0.515 -3.791 4.764 1.00 1.15 H new ATOM 0 HD23 LEU A 19 0.602 -2.090 4.248 1.00 1.15 H new ATOM 330 N ASN A 20 3.886 -0.097 7.326 1.00 0.20 N ATOM 331 CA ASN A 20 4.249 1.313 7.406 1.00 0.19 C ATOM 332 C ASN A 20 5.752 1.471 7.495 1.00 0.21 C ATOM 333 O ASN A 20 6.387 1.875 6.530 1.00 0.22 O ATOM 334 CB ASN A 20 3.568 1.957 8.627 1.00 0.23 C ATOM 335 CG ASN A 20 4.185 3.258 9.083 1.00 0.32 C ATOM 336 OD1 ASN A 20 3.701 4.355 8.564 1.00 0.94 O flip ATOM 337 ND2 ASN A 20 5.078 3.276 9.924 1.00 0.50 N flip ATOM 0 H ASN A 20 3.178 -0.379 8.004 1.00 0.20 H new ATOM 0 HA ASN A 20 3.907 1.817 6.502 1.00 0.19 H new ATOM 0 HB2 ASN A 20 2.519 2.132 8.390 1.00 0.23 H new ATOM 0 HB3 ASN A 20 3.594 1.249 9.455 1.00 0.23 H new ATOM 0 HD21 ASN A 20 5.434 2.401 10.309 1.00 0.50 H new ATOM 0 HD22 ASN A 20 5.465 4.166 10.238 1.00 0.50 H new ATOM 344 N GLU A 21 6.294 1.128 8.651 1.00 0.24 N ATOM 345 CA GLU A 21 7.728 1.202 8.914 1.00 0.29 C ATOM 346 C GLU A 21 8.554 0.536 7.812 1.00 0.29 C ATOM 347 O GLU A 21 9.580 1.081 7.400 1.00 0.31 O ATOM 348 CB GLU A 21 8.038 0.541 10.257 1.00 0.35 C ATOM 349 CG GLU A 21 9.370 0.953 10.861 1.00 0.92 C ATOM 350 CD GLU A 21 9.386 2.401 11.305 1.00 1.79 C ATOM 351 OE1 GLU A 21 8.586 2.763 12.197 1.00 2.40 O ATOM 352 OE2 GLU A 21 10.206 3.182 10.778 1.00 2.46 O ATOM 0 H GLU A 21 5.749 0.787 9.443 1.00 0.24 H new ATOM 0 HA GLU A 21 8.003 2.256 8.939 1.00 0.29 H new ATOM 0 HB2 GLU A 21 7.242 0.784 10.961 1.00 0.35 H new ATOM 0 HB3 GLU A 21 8.030 -0.541 10.127 1.00 0.35 H new ATOM 0 HG2 GLU A 21 9.591 0.313 11.715 1.00 0.92 H new ATOM 0 HG3 GLU A 21 10.162 0.793 10.129 1.00 0.92 H new ATOM 359 N VAL A 22 8.106 -0.627 7.327 1.00 0.28 N ATOM 360 CA VAL A 22 8.851 -1.365 6.307 1.00 0.30 C ATOM 361 C VAL A 22 9.129 -0.498 5.082 1.00 0.28 C ATOM 362 O VAL A 22 10.289 -0.205 4.780 1.00 0.34 O ATOM 363 CB VAL A 22 8.135 -2.669 5.868 1.00 0.32 C ATOM 364 CG1 VAL A 22 8.729 -3.180 4.556 1.00 0.36 C ATOM 365 CG2 VAL A 22 8.278 -3.735 6.943 1.00 0.37 C ATOM 0 H VAL A 22 7.238 -1.073 7.623 1.00 0.28 H new ATOM 0 HA VAL A 22 9.797 -1.643 6.773 1.00 0.30 H new ATOM 0 HB VAL A 22 7.077 -2.451 5.721 1.00 0.32 H new ATOM 0 HG11 VAL A 22 8.219 -4.096 4.258 1.00 0.36 H new ATOM 0 HG12 VAL A 22 8.602 -2.425 3.780 1.00 0.36 H new ATOM 0 HG13 VAL A 22 9.791 -3.385 4.693 1.00 0.36 H new ATOM 0 HG21 VAL A 22 7.771 -4.645 6.623 1.00 0.37 H new ATOM 0 HG22 VAL A 22 9.335 -3.947 7.107 1.00 0.37 H new ATOM 0 HG23 VAL A 22 7.831 -3.378 7.871 1.00 0.37 H new ATOM 375 N PHE A 23 8.078 -0.066 4.396 1.00 0.23 N ATOM 376 CA PHE A 23 8.255 0.721 3.191 1.00 0.22 C ATOM 377 C PHE A 23 8.775 2.084 3.557 1.00 0.21 C ATOM 378 O PHE A 23 9.611 2.651 2.856 1.00 0.23 O ATOM 379 CB PHE A 23 6.948 0.895 2.437 1.00 0.21 C ATOM 380 CG PHE A 23 6.206 -0.381 2.180 1.00 0.26 C ATOM 381 CD1 PHE A 23 6.865 -1.477 1.656 1.00 0.35 C ATOM 382 CD2 PHE A 23 4.858 -0.491 2.475 1.00 0.27 C ATOM 383 CE1 PHE A 23 6.196 -2.659 1.431 1.00 0.43 C ATOM 384 CE2 PHE A 23 4.185 -1.674 2.253 1.00 0.35 C ATOM 385 CZ PHE A 23 4.809 -2.722 1.680 1.00 0.41 C ATOM 0 H PHE A 23 7.107 -0.246 4.652 1.00 0.23 H new ATOM 0 HA PHE A 23 8.960 0.191 2.551 1.00 0.22 H new ATOM 0 HB2 PHE A 23 6.303 1.568 3.002 1.00 0.21 H new ATOM 0 HB3 PHE A 23 7.155 1.379 1.483 1.00 0.21 H new ATOM 0 HD1 PHE A 23 7.917 -1.405 1.420 1.00 0.35 H new ATOM 0 HD2 PHE A 23 4.329 0.357 2.883 1.00 0.27 H new ATOM 0 HE1 PHE A 23 6.726 -3.527 1.068 1.00 0.43 H new ATOM 0 HE2 PHE A 23 3.148 -1.761 2.541 1.00 0.35 H new ATOM 0 HZ PHE A 23 4.250 -3.606 1.413 1.00 0.41 H new ATOM 395 N ASN A 24 8.275 2.592 4.681 1.00 0.19 N ATOM 396 CA ASN A 24 8.603 3.926 5.138 1.00 0.19 C ATOM 397 C ASN A 24 10.106 4.096 5.125 1.00 0.24 C ATOM 398 O ASN A 24 10.652 5.043 4.550 1.00 0.24 O ATOM 399 CB ASN A 24 8.058 4.162 6.560 1.00 0.21 C ATOM 400 CG ASN A 24 8.024 5.629 6.939 1.00 0.23 C ATOM 401 OD1 ASN A 24 6.866 6.253 6.767 1.00 0.28 O flip ATOM 402 ND2 ASN A 24 9.012 6.183 7.423 1.00 0.26 N flip ATOM 0 H ASN A 24 7.634 2.087 5.293 1.00 0.19 H new ATOM 0 HA ASN A 24 8.143 4.656 4.472 1.00 0.19 H new ATOM 0 HB2 ASN A 24 7.052 3.749 6.632 1.00 0.21 H new ATOM 0 HB3 ASN A 24 8.676 3.621 7.276 1.00 0.21 H new ATOM 0 HD21 ASN A 24 9.883 5.664 7.537 1.00 0.26 H new ATOM 0 HD22 ASN A 24 8.959 7.160 7.710 1.00 0.26 H new ATOM 409 N LYS A 25 10.754 3.106 5.714 1.00 0.32 N ATOM 410 CA LYS A 25 12.192 3.081 5.883 1.00 0.41 C ATOM 411 C LYS A 25 12.922 3.120 4.536 1.00 0.41 C ATOM 412 O LYS A 25 13.853 3.910 4.359 1.00 0.47 O ATOM 413 CB LYS A 25 12.578 1.820 6.662 1.00 0.51 C ATOM 414 CG LYS A 25 13.824 1.968 7.511 1.00 0.59 C ATOM 415 CD LYS A 25 15.037 2.228 6.652 1.00 1.02 C ATOM 416 CE LYS A 25 15.659 3.586 6.951 1.00 2.32 C ATOM 417 NZ LYS A 25 16.014 3.747 8.388 1.00 3.25 N ATOM 0 H LYS A 25 10.285 2.284 6.094 1.00 0.32 H new ATOM 0 HA LYS A 25 12.493 3.970 6.437 1.00 0.41 H new ATOM 0 HB2 LYS A 25 11.746 1.536 7.306 1.00 0.51 H new ATOM 0 HB3 LYS A 25 12.728 1.003 5.956 1.00 0.51 H new ATOM 0 HG2 LYS A 25 13.692 2.788 8.217 1.00 0.59 H new ATOM 0 HG3 LYS A 25 13.977 1.063 8.099 1.00 0.59 H new ATOM 0 HD2 LYS A 25 15.776 1.445 6.819 1.00 1.02 H new ATOM 0 HD3 LYS A 25 14.755 2.181 5.600 1.00 1.02 H new ATOM 0 HE2 LYS A 25 16.554 3.714 6.342 1.00 2.32 H new ATOM 0 HE3 LYS A 25 14.962 4.373 6.662 1.00 2.32 H new ATOM 0 HZ1 LYS A 25 16.823 4.395 8.475 1.00 3.25 H new ATOM 0 HZ2 LYS A 25 15.200 4.137 8.905 1.00 3.25 H new ATOM 0 HZ3 LYS A 25 16.267 2.821 8.789 1.00 3.25 H new ATOM 431 N GLU A 26 12.497 2.301 3.575 1.00 0.42 N ATOM 432 CA GLU A 26 13.224 2.202 2.311 1.00 0.53 C ATOM 433 C GLU A 26 12.883 3.338 1.361 1.00 0.45 C ATOM 434 O GLU A 26 13.281 3.329 0.194 1.00 0.66 O ATOM 435 CB GLU A 26 13.054 0.831 1.665 1.00 0.91 C ATOM 436 CG GLU A 26 11.640 0.434 1.333 1.00 0.40 C ATOM 437 CD GLU A 26 11.547 -1.057 1.107 1.00 0.79 C ATOM 438 OE1 GLU A 26 11.994 -1.528 0.043 1.00 1.45 O ATOM 439 OE2 GLU A 26 10.974 -1.756 1.973 1.00 1.43 O ATOM 0 H GLU A 26 11.670 1.708 3.644 1.00 0.42 H new ATOM 0 HA GLU A 26 14.283 2.308 2.545 1.00 0.53 H new ATOM 0 HB2 GLU A 26 13.643 0.807 0.748 1.00 0.91 H new ATOM 0 HB3 GLU A 26 13.475 0.080 2.334 1.00 0.91 H new ATOM 0 HG2 GLU A 26 10.974 0.727 2.145 1.00 0.40 H new ATOM 0 HG3 GLU A 26 11.307 0.964 0.441 1.00 0.40 H new ATOM 446 N GLY A 27 12.202 4.342 1.893 1.00 0.38 N ATOM 447 CA GLY A 27 11.973 5.553 1.149 1.00 0.44 C ATOM 448 C GLY A 27 10.544 6.017 1.209 1.00 0.37 C ATOM 449 O GLY A 27 10.250 7.179 0.932 1.00 0.44 O ATOM 0 H GLY A 27 11.804 4.335 2.832 1.00 0.38 H new ATOM 0 HA2 GLY A 27 12.621 6.339 1.536 1.00 0.44 H new ATOM 0 HA3 GLY A 27 12.254 5.392 0.108 1.00 0.44 H new ATOM 453 N TYR A 28 9.649 5.140 1.611 1.00 0.26 N ATOM 454 CA TYR A 28 8.242 5.419 1.408 1.00 0.24 C ATOM 455 C TYR A 28 7.687 6.316 2.483 1.00 0.24 C ATOM 456 O TYR A 28 7.987 6.169 3.659 1.00 0.41 O ATOM 457 CB TYR A 28 7.419 4.139 1.339 1.00 0.25 C ATOM 458 CG TYR A 28 7.286 3.560 -0.047 1.00 0.40 C ATOM 459 CD1 TYR A 28 6.367 4.072 -0.948 1.00 0.58 C ATOM 460 CD2 TYR A 28 8.094 2.503 -0.455 1.00 0.57 C ATOM 461 CE1 TYR A 28 6.249 3.544 -2.218 1.00 0.78 C ATOM 462 CE2 TYR A 28 7.983 1.971 -1.726 1.00 0.77 C ATOM 463 CZ TYR A 28 7.025 2.493 -2.599 1.00 0.87 C ATOM 464 OH TYR A 28 6.947 1.976 -3.869 1.00 1.07 O ATOM 0 H TYR A 28 9.860 4.253 2.067 1.00 0.26 H new ATOM 0 HA TYR A 28 8.168 5.936 0.451 1.00 0.24 H new ATOM 0 HB2 TYR A 28 7.875 3.393 1.990 1.00 0.25 H new ATOM 0 HB3 TYR A 28 6.423 4.340 1.733 1.00 0.25 H new ATOM 0 HD1 TYR A 28 5.734 4.896 -0.653 1.00 0.58 H new ATOM 0 HD2 TYR A 28 8.819 2.092 0.232 1.00 0.57 H new ATOM 0 HE1 TYR A 28 5.538 3.967 -2.912 1.00 0.78 H new ATOM 0 HE2 TYR A 28 8.628 1.163 -2.040 1.00 0.77 H new ATOM 0 HH TYR A 28 7.623 2.401 -4.437 1.00 1.07 H new ATOM 474 N GLN A 29 6.895 7.272 2.074 1.00 0.17 N ATOM 475 CA GLN A 29 6.118 8.032 3.014 1.00 0.16 C ATOM 476 C GLN A 29 4.803 7.333 3.218 1.00 0.12 C ATOM 477 O GLN A 29 3.813 7.638 2.561 1.00 0.13 O ATOM 478 CB GLN A 29 5.880 9.434 2.502 1.00 0.24 C ATOM 479 CG GLN A 29 7.155 10.168 2.151 1.00 0.30 C ATOM 480 CD GLN A 29 6.950 11.121 1.001 1.00 0.53 C ATOM 481 OE1 GLN A 29 6.597 12.288 1.182 1.00 1.14 O ATOM 482 NE2 GLN A 29 7.160 10.619 -0.197 1.00 0.53 N ATOM 0 H GLN A 29 6.772 7.542 1.098 1.00 0.17 H new ATOM 0 HA GLN A 29 6.659 8.105 3.957 1.00 0.16 H new ATOM 0 HB2 GLN A 29 5.241 9.388 1.620 1.00 0.24 H new ATOM 0 HB3 GLN A 29 5.338 10.002 3.258 1.00 0.24 H new ATOM 0 HG2 GLN A 29 7.509 10.719 3.022 1.00 0.30 H new ATOM 0 HG3 GLN A 29 7.931 9.447 1.893 1.00 0.30 H new ATOM 0 HE21 GLN A 29 7.452 9.647 -0.299 1.00 0.53 H new ATOM 0 HE22 GLN A 29 7.031 11.202 -1.024 1.00 0.53 H new ATOM 491 N THR A 30 4.803 6.361 4.090 1.00 0.11 N ATOM 492 CA THR A 30 3.633 5.554 4.281 1.00 0.10 C ATOM 493 C THR A 30 2.760 6.145 5.383 1.00 0.10 C ATOM 494 O THR A 30 3.259 6.515 6.449 1.00 0.14 O ATOM 495 CB THR A 30 4.030 4.111 4.623 1.00 0.11 C ATOM 496 OG1 THR A 30 4.518 4.030 5.961 1.00 0.14 O ATOM 497 CG2 THR A 30 5.119 3.607 3.696 1.00 0.12 C ATOM 0 H THR A 30 5.599 6.111 4.677 1.00 0.11 H new ATOM 0 HA THR A 30 3.060 5.542 3.354 1.00 0.10 H new ATOM 0 HB THR A 30 3.137 3.497 4.507 1.00 0.11 H new ATOM 0 HG1 THR A 30 3.766 4.079 6.587 1.00 0.14 H new ATOM 0 HG21 THR A 30 5.379 2.583 3.963 1.00 0.12 H new ATOM 0 HG22 THR A 30 4.762 3.634 2.667 1.00 0.12 H new ATOM 0 HG23 THR A 30 6.000 4.241 3.791 1.00 0.12 H new ATOM 505 N PHE A 31 1.464 6.260 5.123 1.00 0.09 N ATOM 506 CA PHE A 31 0.553 6.801 6.100 1.00 0.09 C ATOM 507 C PHE A 31 -0.505 5.792 6.398 1.00 0.10 C ATOM 508 O PHE A 31 -1.182 5.265 5.517 1.00 0.19 O ATOM 509 CB PHE A 31 -0.066 8.126 5.676 1.00 0.11 C ATOM 510 CG PHE A 31 0.777 9.314 6.049 1.00 0.17 C ATOM 511 CD1 PHE A 31 2.021 9.512 5.469 1.00 0.20 C ATOM 512 CD2 PHE A 31 0.330 10.224 6.994 1.00 0.27 C ATOM 513 CE1 PHE A 31 2.801 10.596 5.825 1.00 0.26 C ATOM 514 CE2 PHE A 31 1.105 11.311 7.350 1.00 0.34 C ATOM 515 CZ PHE A 31 2.343 11.496 6.766 1.00 0.30 C ATOM 0 H PHE A 31 1.029 5.984 4.243 1.00 0.09 H new ATOM 0 HA PHE A 31 1.128 7.017 7.000 1.00 0.09 H new ATOM 0 HB2 PHE A 31 -0.219 8.120 4.597 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -1.049 8.226 6.137 1.00 0.11 H new ATOM 0 HD1 PHE A 31 2.384 8.812 4.731 1.00 0.20 H new ATOM 0 HD2 PHE A 31 -0.635 10.082 7.457 1.00 0.27 H new ATOM 0 HE1 PHE A 31 3.769 10.739 5.367 1.00 0.26 H new ATOM 0 HE2 PHE A 31 0.743 12.015 8.084 1.00 0.34 H new ATOM 0 HZ PHE A 31 2.952 12.343 7.045 1.00 0.30 H new ATOM 525 N GLN A 32 -0.589 5.511 7.653 1.00 0.12 N ATOM 526 CA GLN A 32 -1.419 4.467 8.162 1.00 0.10 C ATOM 527 C GLN A 32 -2.867 4.940 8.364 1.00 0.09 C ATOM 528 O GLN A 32 -3.135 5.860 9.132 1.00 0.12 O ATOM 529 CB GLN A 32 -0.790 3.987 9.467 1.00 0.12 C ATOM 530 CG GLN A 32 -0.135 5.090 10.276 1.00 0.14 C ATOM 531 CD GLN A 32 0.573 4.552 11.503 1.00 0.18 C ATOM 532 OE1 GLN A 32 1.854 4.243 11.355 1.00 0.22 O flip ATOM 533 NE2 GLN A 32 -0.024 4.411 12.569 1.00 0.19 N flip ATOM 0 H GLN A 32 -0.070 6.012 8.374 1.00 0.12 H new ATOM 0 HA GLN A 32 -1.477 3.646 7.448 1.00 0.10 H new ATOM 0 HB2 GLN A 32 -1.559 3.511 10.076 1.00 0.12 H new ATOM 0 HB3 GLN A 32 -0.045 3.224 9.241 1.00 0.12 H new ATOM 0 HG2 GLN A 32 0.580 5.623 9.649 1.00 0.14 H new ATOM 0 HG3 GLN A 32 -0.891 5.813 10.582 1.00 0.14 H new ATOM 0 HE21 GLN A 32 -1.010 4.662 12.638 1.00 0.19 H new ATOM 0 HE22 GLN A 32 0.467 4.043 13.384 1.00 0.19 H new ATOM 542 N ALA A 33 -3.782 4.281 7.663 1.00 0.09 N ATOM 543 CA ALA A 33 -5.224 4.515 7.775 1.00 0.08 C ATOM 544 C ALA A 33 -5.882 3.234 8.233 1.00 0.11 C ATOM 545 O ALA A 33 -5.509 2.159 7.792 1.00 0.23 O ATOM 546 CB ALA A 33 -5.809 4.951 6.433 1.00 0.10 C ATOM 0 H ALA A 33 -3.542 3.555 6.988 1.00 0.09 H new ATOM 0 HA ALA A 33 -5.407 5.312 8.495 1.00 0.08 H new ATOM 0 HB1 ALA A 33 -6.881 5.119 6.541 1.00 0.10 H new ATOM 0 HB2 ALA A 33 -5.328 5.874 6.109 1.00 0.10 H new ATOM 0 HB3 ALA A 33 -5.637 4.172 5.691 1.00 0.10 H new ATOM 552 N ALA A 34 -6.832 3.328 9.138 1.00 0.09 N ATOM 553 CA ALA A 34 -7.529 2.132 9.572 1.00 0.10 C ATOM 554 C ALA A 34 -8.831 1.982 8.820 1.00 0.12 C ATOM 555 O ALA A 34 -9.509 0.964 8.926 1.00 0.18 O ATOM 556 CB ALA A 34 -7.777 2.144 11.067 1.00 0.14 C ATOM 0 H ALA A 34 -7.136 4.196 9.580 1.00 0.09 H new ATOM 0 HA ALA A 34 -6.892 1.275 9.350 1.00 0.10 H new ATOM 0 HB1 ALA A 34 -8.301 1.233 11.356 1.00 0.14 H new ATOM 0 HB2 ALA A 34 -6.824 2.197 11.593 1.00 0.14 H new ATOM 0 HB3 ALA A 34 -8.385 3.010 11.328 1.00 0.14 H new ATOM 562 N ASN A 35 -9.180 2.998 8.047 1.00 0.10 N ATOM 563 CA ASN A 35 -10.434 2.971 7.339 1.00 0.13 C ATOM 564 C ASN A 35 -10.336 3.674 5.999 1.00 0.10 C ATOM 565 O ASN A 35 -9.382 4.401 5.737 1.00 0.08 O ATOM 566 CB ASN A 35 -11.542 3.568 8.208 1.00 0.17 C ATOM 567 CG ASN A 35 -11.164 4.928 8.750 1.00 0.20 C ATOM 568 OD1 ASN A 35 -11.699 5.975 8.162 1.00 0.29 O flip ATOM 569 ND2 ASN A 35 -10.419 5.038 9.721 1.00 0.19 N flip ATOM 0 H ASN A 35 -8.618 3.836 7.900 1.00 0.10 H new ATOM 0 HA ASN A 35 -10.685 1.931 7.129 1.00 0.13 H new ATOM 0 HB2 ASN A 35 -12.457 3.653 7.622 1.00 0.17 H new ATOM 0 HB3 ASN A 35 -11.756 2.894 9.037 1.00 0.17 H new ATOM 0 HD21 ASN A 35 -10.020 4.205 10.155 1.00 0.19 H new ATOM 0 HD22 ASN A 35 -10.200 5.962 10.093 1.00 0.19 H new ATOM 576 N GLY A 36 -11.340 3.453 5.161 1.00 0.12 N ATOM 577 CA GLY A 36 -11.323 3.963 3.800 1.00 0.14 C ATOM 578 C GLY A 36 -11.485 5.459 3.742 1.00 0.11 C ATOM 579 O GLY A 36 -11.081 6.101 2.776 1.00 0.13 O ATOM 0 H GLY A 36 -12.177 2.923 5.402 1.00 0.12 H new ATOM 0 HA2 GLY A 36 -10.384 3.684 3.323 1.00 0.14 H new ATOM 0 HA3 GLY A 36 -12.123 3.492 3.229 1.00 0.14 H new ATOM 583 N LEU A 37 -12.062 6.013 4.785 1.00 0.11 N ATOM 584 CA LEU A 37 -12.213 7.453 4.895 1.00 0.13 C ATOM 585 C LEU A 37 -10.915 8.047 5.326 1.00 0.10 C ATOM 586 O LEU A 37 -10.528 9.128 4.890 1.00 0.11 O ATOM 587 CB LEU A 37 -13.222 7.813 5.951 1.00 0.17 C ATOM 588 CG LEU A 37 -14.699 7.559 5.618 1.00 0.23 C ATOM 589 CD1 LEU A 37 -15.049 8.134 4.254 1.00 0.27 C ATOM 590 CD2 LEU A 37 -15.025 6.074 5.680 1.00 0.28 C ATOM 0 H LEU A 37 -12.437 5.488 5.575 1.00 0.11 H new ATOM 0 HA LEU A 37 -12.535 7.829 3.924 1.00 0.13 H new ATOM 0 HB2 LEU A 37 -12.978 7.257 6.856 1.00 0.17 H new ATOM 0 HB3 LEU A 37 -13.104 8.871 6.185 1.00 0.17 H new ATOM 0 HG LEU A 37 -15.306 8.066 6.368 1.00 0.23 H new ATOM 0 HD11 LEU A 37 -16.100 7.943 4.037 1.00 0.27 H new ATOM 0 HD12 LEU A 37 -14.868 9.209 4.255 1.00 0.27 H new ATOM 0 HD13 LEU A 37 -14.430 7.663 3.491 1.00 0.27 H new ATOM 0 HD21 LEU A 37 -16.077 5.922 5.440 1.00 0.28 H new ATOM 0 HD22 LEU A 37 -14.407 5.536 4.961 1.00 0.28 H new ATOM 0 HD23 LEU A 37 -14.824 5.699 6.684 1.00 0.28 H new ATOM 602 N GLN A 38 -10.261 7.322 6.214 1.00 0.10 N ATOM 603 CA GLN A 38 -8.963 7.701 6.670 1.00 0.11 C ATOM 604 C GLN A 38 -8.132 7.742 5.442 1.00 0.10 C ATOM 605 O GLN A 38 -7.491 8.725 5.157 1.00 0.15 O ATOM 606 CB GLN A 38 -8.415 6.667 7.665 1.00 0.19 C ATOM 607 CG GLN A 38 -7.873 7.249 8.958 1.00 0.36 C ATOM 608 CD GLN A 38 -6.605 8.047 8.812 1.00 0.67 C ATOM 609 OE1 GLN A 38 -5.478 7.421 9.077 1.00 0.99 O flip ATOM 610 NE2 GLN A 38 -6.644 9.239 8.524 1.00 1.29 N flip ATOM 0 H GLN A 38 -10.622 6.463 6.629 1.00 0.10 H new ATOM 0 HA GLN A 38 -8.971 8.657 7.194 1.00 0.11 H new ATOM 0 HB2 GLN A 38 -9.209 5.960 7.906 1.00 0.19 H new ATOM 0 HB3 GLN A 38 -7.621 6.101 7.178 1.00 0.19 H new ATOM 0 HG2 GLN A 38 -8.638 7.887 9.401 1.00 0.36 H new ATOM 0 HG3 GLN A 38 -7.693 6.434 9.659 1.00 0.36 H new ATOM 0 HE21 GLN A 38 -7.539 9.687 8.325 1.00 1.29 H new ATOM 0 HE22 GLN A 38 -5.782 9.782 8.483 1.00 1.29 H new ATOM 619 N ALA A 39 -8.296 6.691 4.660 1.00 0.10 N ATOM 620 CA ALA A 39 -7.573 6.527 3.425 1.00 0.12 C ATOM 621 C ALA A 39 -7.840 7.677 2.462 1.00 0.11 C ATOM 622 O ALA A 39 -6.910 8.259 1.908 1.00 0.13 O ATOM 623 CB ALA A 39 -7.932 5.208 2.775 1.00 0.14 C ATOM 0 H ALA A 39 -8.939 5.927 4.870 1.00 0.10 H new ATOM 0 HA ALA A 39 -6.509 6.530 3.662 1.00 0.12 H new ATOM 0 HB1 ALA A 39 -7.378 5.099 1.843 1.00 0.14 H new ATOM 0 HB2 ALA A 39 -7.676 4.389 3.448 1.00 0.14 H new ATOM 0 HB3 ALA A 39 -9.001 5.185 2.566 1.00 0.14 H new ATOM 629 N LEU A 40 -9.118 7.992 2.270 1.00 0.11 N ATOM 630 CA LEU A 40 -9.528 9.108 1.440 1.00 0.12 C ATOM 631 C LEU A 40 -8.817 10.370 1.903 1.00 0.13 C ATOM 632 O LEU A 40 -8.306 11.155 1.103 1.00 0.17 O ATOM 633 CB LEU A 40 -11.048 9.282 1.561 1.00 0.13 C ATOM 634 CG LEU A 40 -11.775 9.659 0.272 1.00 0.37 C ATOM 635 CD1 LEU A 40 -11.482 11.103 -0.111 1.00 0.97 C ATOM 636 CD2 LEU A 40 -11.371 8.719 -0.853 1.00 0.19 C ATOM 0 H LEU A 40 -9.894 7.478 2.687 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.266 8.919 0.399 1.00 0.12 H new ATOM 0 HB2 LEU A 40 -11.473 8.352 1.938 1.00 0.13 H new ATOM 0 HB3 LEU A 40 -11.249 10.050 2.308 1.00 0.13 H new ATOM 0 HG LEU A 40 -12.848 9.563 0.441 1.00 0.37 H new ATOM 0 HD11 LEU A 40 -12.010 11.349 -1.032 1.00 0.97 H new ATOM 0 HD12 LEU A 40 -11.816 11.766 0.687 1.00 0.97 H new ATOM 0 HD13 LEU A 40 -10.410 11.229 -0.263 1.00 0.97 H new ATOM 0 HD21 LEU A 40 -11.896 8.998 -1.767 1.00 0.19 H new ATOM 0 HD22 LEU A 40 -10.296 8.789 -1.017 1.00 0.19 H new ATOM 0 HD23 LEU A 40 -11.631 7.696 -0.583 1.00 0.19 H new ATOM 648 N ASP A 41 -8.751 10.517 3.213 1.00 0.12 N ATOM 649 CA ASP A 41 -8.142 11.668 3.834 1.00 0.13 C ATOM 650 C ASP A 41 -6.615 11.602 3.760 1.00 0.09 C ATOM 651 O ASP A 41 -5.941 12.631 3.704 1.00 0.11 O ATOM 652 CB ASP A 41 -8.615 11.752 5.280 1.00 0.20 C ATOM 653 CG ASP A 41 -7.895 12.818 6.075 1.00 0.72 C ATOM 654 OD1 ASP A 41 -8.037 14.011 5.744 1.00 0.87 O ATOM 655 OD2 ASP A 41 -7.176 12.468 7.034 1.00 1.32 O ATOM 0 H ASP A 41 -9.121 9.836 3.875 1.00 0.12 H new ATOM 0 HA ASP A 41 -8.445 12.566 3.296 1.00 0.13 H new ATOM 0 HB2 ASP A 41 -9.686 11.956 5.295 1.00 0.20 H new ATOM 0 HB3 ASP A 41 -8.468 10.785 5.762 1.00 0.20 H new ATOM 660 N ILE A 42 -6.053 10.398 3.759 1.00 0.10 N ATOM 661 CA ILE A 42 -4.626 10.251 3.615 1.00 0.10 C ATOM 662 C ILE A 42 -4.200 10.660 2.215 1.00 0.10 C ATOM 663 O ILE A 42 -3.217 11.363 2.045 1.00 0.13 O ATOM 664 CB ILE A 42 -4.154 8.820 3.808 1.00 0.12 C ATOM 665 CG1 ILE A 42 -4.848 8.113 4.973 1.00 0.14 C ATOM 666 CG2 ILE A 42 -2.647 8.807 3.993 1.00 0.12 C ATOM 667 CD1 ILE A 42 -4.522 8.643 6.349 1.00 0.12 C ATOM 0 H ILE A 42 -6.566 9.522 3.856 1.00 0.10 H new ATOM 0 HA ILE A 42 -4.184 10.884 4.385 1.00 0.10 H new ATOM 0 HB ILE A 42 -4.424 8.262 2.912 1.00 0.12 H new ATOM 0 HG12 ILE A 42 -5.926 8.180 4.824 1.00 0.14 H new ATOM 0 HG13 ILE A 42 -4.586 7.055 4.940 1.00 0.14 H new ATOM 0 HG21 ILE A 42 -2.306 7.781 4.132 1.00 0.12 H new ATOM 0 HG22 ILE A 42 -2.168 9.232 3.111 1.00 0.12 H new ATOM 0 HG23 ILE A 42 -2.383 9.399 4.870 1.00 0.12 H new ATOM 0 HD11 ILE A 42 -5.068 8.070 7.098 1.00 0.12 H new ATOM 0 HD12 ILE A 42 -3.451 8.550 6.530 1.00 0.12 H new ATOM 0 HD13 ILE A 42 -4.811 9.692 6.413 1.00 0.12 H new ATOM 679 N VAL A 43 -4.926 10.183 1.206 1.00 0.11 N ATOM 680 CA VAL A 43 -4.657 10.584 -0.175 1.00 0.12 C ATOM 681 C VAL A 43 -4.776 12.089 -0.277 1.00 0.12 C ATOM 682 O VAL A 43 -3.954 12.767 -0.882 1.00 0.15 O ATOM 683 CB VAL A 43 -5.640 9.948 -1.176 1.00 0.13 C ATOM 684 CG1 VAL A 43 -5.281 10.337 -2.604 1.00 0.14 C ATOM 685 CG2 VAL A 43 -5.672 8.441 -1.021 1.00 0.15 C ATOM 0 H VAL A 43 -5.698 9.525 1.315 1.00 0.11 H new ATOM 0 HA VAL A 43 -3.654 10.241 -0.428 1.00 0.12 H new ATOM 0 HB VAL A 43 -6.638 10.330 -0.959 1.00 0.13 H new ATOM 0 HG11 VAL A 43 -5.988 9.877 -3.295 1.00 0.14 H new ATOM 0 HG12 VAL A 43 -5.325 11.421 -2.708 1.00 0.14 H new ATOM 0 HG13 VAL A 43 -4.273 9.991 -2.833 1.00 0.14 H new ATOM 0 HG21 VAL A 43 -6.374 8.016 -1.739 1.00 0.15 H new ATOM 0 HG22 VAL A 43 -4.677 8.035 -1.203 1.00 0.15 H new ATOM 0 HG23 VAL A 43 -5.989 8.186 -0.010 1.00 0.15 H new ATOM 695 N THR A 44 -5.804 12.588 0.365 1.00 0.12 N ATOM 696 CA THR A 44 -6.058 14.004 0.455 1.00 0.15 C ATOM 697 C THR A 44 -4.871 14.748 1.095 1.00 0.14 C ATOM 698 O THR A 44 -4.556 15.876 0.716 1.00 0.16 O ATOM 699 CB THR A 44 -7.350 14.204 1.270 1.00 0.23 C ATOM 700 OG1 THR A 44 -8.407 14.677 0.428 1.00 0.39 O ATOM 701 CG2 THR A 44 -7.166 15.142 2.453 1.00 0.19 C ATOM 0 H THR A 44 -6.497 12.014 0.846 1.00 0.12 H new ATOM 0 HA THR A 44 -6.181 14.422 -0.544 1.00 0.15 H new ATOM 0 HB THR A 44 -7.615 13.227 1.675 1.00 0.23 H new ATOM 0 HG1 THR A 44 -9.221 14.797 0.961 1.00 0.39 H new ATOM 0 HG21 THR A 44 -8.110 15.243 2.988 1.00 0.19 H new ATOM 0 HG22 THR A 44 -6.410 14.736 3.125 1.00 0.19 H new ATOM 0 HG23 THR A 44 -6.845 16.120 2.095 1.00 0.19 H new ATOM 709 N LYS A 45 -4.201 14.103 2.051 1.00 0.13 N ATOM 710 CA LYS A 45 -3.149 14.750 2.812 1.00 0.14 C ATOM 711 C LYS A 45 -1.759 14.564 2.170 1.00 0.13 C ATOM 712 O LYS A 45 -1.004 15.524 2.017 1.00 0.15 O ATOM 713 CB LYS A 45 -3.200 14.213 4.250 1.00 0.19 C ATOM 714 CG LYS A 45 -2.340 12.995 4.529 1.00 0.39 C ATOM 715 CD LYS A 45 -2.273 12.681 6.015 1.00 1.12 C ATOM 716 CE LYS A 45 -3.574 12.081 6.534 1.00 1.54 C ATOM 717 NZ LYS A 45 -4.674 13.081 6.612 1.00 2.42 N ATOM 0 H LYS A 45 -4.374 13.132 2.312 1.00 0.13 H new ATOM 0 HA LYS A 45 -3.317 15.827 2.817 1.00 0.14 H new ATOM 0 HB2 LYS A 45 -2.897 15.012 4.927 1.00 0.19 H new ATOM 0 HB3 LYS A 45 -4.234 13.967 4.490 1.00 0.19 H new ATOM 0 HG2 LYS A 45 -2.742 12.135 3.993 1.00 0.39 H new ATOM 0 HG3 LYS A 45 -1.333 13.165 4.148 1.00 0.39 H new ATOM 0 HD2 LYS A 45 -1.454 11.986 6.202 1.00 1.12 H new ATOM 0 HD3 LYS A 45 -2.049 13.593 6.568 1.00 1.12 H new ATOM 0 HE2 LYS A 45 -3.878 11.262 5.882 1.00 1.54 H new ATOM 0 HE3 LYS A 45 -3.404 11.655 7.523 1.00 1.54 H new ATOM 0 HZ1 LYS A 45 -5.400 12.747 7.277 1.00 2.42 H new ATOM 0 HZ2 LYS A 45 -4.294 13.990 6.943 1.00 2.42 H new ATOM 0 HZ3 LYS A 45 -5.098 13.205 5.670 1.00 2.42 H new ATOM 731 N GLU A 46 -1.434 13.335 1.787 1.00 0.13 N ATOM 732 CA GLU A 46 -0.124 13.009 1.239 1.00 0.13 C ATOM 733 C GLU A 46 -0.177 12.745 -0.252 1.00 0.13 C ATOM 734 O GLU A 46 0.776 13.052 -0.964 1.00 0.16 O ATOM 735 CB GLU A 46 0.438 11.778 1.950 1.00 0.13 C ATOM 736 CG GLU A 46 0.981 12.095 3.328 1.00 0.19 C ATOM 737 CD GLU A 46 2.067 13.154 3.291 1.00 0.29 C ATOM 738 OE1 GLU A 46 3.177 12.859 2.804 1.00 0.54 O ATOM 739 OE2 GLU A 46 1.820 14.287 3.751 1.00 0.63 O ATOM 0 H GLU A 46 -2.069 12.539 1.847 1.00 0.13 H new ATOM 0 HA GLU A 46 0.522 13.871 1.402 1.00 0.13 H new ATOM 0 HB2 GLU A 46 -0.345 11.025 2.037 1.00 0.13 H new ATOM 0 HB3 GLU A 46 1.232 11.344 1.342 1.00 0.13 H new ATOM 0 HG2 GLU A 46 0.166 12.436 3.967 1.00 0.19 H new ATOM 0 HG3 GLU A 46 1.379 11.185 3.777 1.00 0.19 H new ATOM 746 N ARG A 47 -1.293 12.189 -0.713 1.00 0.13 N ATOM 747 CA ARG A 47 -1.402 11.702 -2.087 1.00 0.15 C ATOM 748 C ARG A 47 -0.426 10.556 -2.319 1.00 0.12 C ATOM 749 O ARG A 47 0.482 10.675 -3.143 1.00 0.15 O ATOM 750 CB ARG A 47 -1.128 12.814 -3.108 1.00 0.20 C ATOM 751 CG ARG A 47 -2.235 13.838 -3.244 1.00 0.73 C ATOM 752 CD ARG A 47 -1.860 14.906 -4.256 1.00 1.00 C ATOM 753 NE ARG A 47 -1.267 14.327 -5.463 1.00 1.88 N ATOM 754 CZ ARG A 47 -1.828 14.368 -6.671 1.00 2.63 C ATOM 755 NH1 ARG A 47 -2.999 14.962 -6.848 1.00 2.81 N ATOM 756 NH2 ARG A 47 -1.212 13.800 -7.699 1.00 3.66 N ATOM 0 H ARG A 47 -2.138 12.064 -0.155 1.00 0.13 H new ATOM 0 HA ARG A 47 -2.425 11.352 -2.227 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -0.209 13.328 -2.826 1.00 0.20 H new ATOM 0 HB3 ARG A 47 -0.952 12.358 -4.082 1.00 0.20 H new ATOM 0 HG2 ARG A 47 -3.157 13.345 -3.553 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -2.430 14.300 -2.276 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -2.747 15.479 -4.526 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -1.155 15.604 -3.804 1.00 1.00 H new ATOM 0 HE ARG A 47 -0.364 13.861 -5.373 1.00 1.88 H new ATOM 0 HH11 ARG A 47 -3.478 15.392 -6.057 1.00 2.81 H new ATOM 0 HH12 ARG A 47 -3.422 14.989 -7.776 1.00 2.81 H new ATOM 0 HH21 ARG A 47 -0.314 13.335 -7.562 1.00 3.66 H new ATOM 0 HH22 ARG A 47 -1.636 13.828 -8.626 1.00 3.66 H new ATOM 770 N PRO A 48 -0.560 9.437 -1.578 1.00 0.11 N ATOM 771 CA PRO A 48 0.308 8.275 -1.785 1.00 0.11 C ATOM 772 C PRO A 48 0.173 7.722 -3.181 1.00 0.12 C ATOM 773 O PRO A 48 -0.852 7.900 -3.825 1.00 0.21 O ATOM 774 CB PRO A 48 -0.193 7.259 -0.754 1.00 0.14 C ATOM 775 CG PRO A 48 -0.809 8.122 0.294 1.00 0.15 C ATOM 776 CD PRO A 48 -1.519 9.200 -0.472 1.00 0.14 C ATOM 0 HA PRO A 48 1.363 8.523 -1.668 1.00 0.11 H new ATOM 0 HB2 PRO A 48 -0.918 6.569 -1.186 1.00 0.14 H new ATOM 0 HB3 PRO A 48 0.621 6.656 -0.353 1.00 0.14 H new ATOM 0 HG2 PRO A 48 -1.502 7.556 0.917 1.00 0.15 H new ATOM 0 HG3 PRO A 48 -0.053 8.540 0.958 1.00 0.15 H new ATOM 0 HD2 PRO A 48 -2.494 8.875 -0.834 1.00 0.14 H new ATOM 0 HD3 PRO A 48 -1.684 10.094 0.130 1.00 0.14 H new ATOM 784 N ASP A 49 1.207 7.073 -3.663 1.00 0.11 N ATOM 785 CA ASP A 49 1.103 6.414 -4.941 1.00 0.14 C ATOM 786 C ASP A 49 0.528 5.039 -4.719 1.00 0.13 C ATOM 787 O ASP A 49 -0.334 4.592 -5.458 1.00 0.19 O ATOM 788 CB ASP A 49 2.451 6.278 -5.645 1.00 0.25 C ATOM 789 CG ASP A 49 3.232 7.574 -5.739 1.00 0.65 C ATOM 790 OD1 ASP A 49 3.951 7.906 -4.770 1.00 0.98 O ATOM 791 OD2 ASP A 49 3.107 8.278 -6.768 1.00 0.94 O ATOM 0 H ASP A 49 2.112 6.988 -3.200 1.00 0.11 H new ATOM 0 HA ASP A 49 0.463 7.022 -5.580 1.00 0.14 H new ATOM 0 HB2 ASP A 49 3.053 5.541 -5.115 1.00 0.25 H new ATOM 0 HB3 ASP A 49 2.287 5.891 -6.651 1.00 0.25 H new ATOM 796 N LEU A 50 1.005 4.386 -3.671 1.00 0.12 N ATOM 797 CA LEU A 50 0.638 3.007 -3.381 1.00 0.12 C ATOM 798 C LEU A 50 -0.213 2.933 -2.118 1.00 0.11 C ATOM 799 O LEU A 50 0.271 3.193 -1.017 1.00 0.12 O ATOM 800 CB LEU A 50 1.896 2.150 -3.192 1.00 0.13 C ATOM 801 CG LEU A 50 2.681 1.786 -4.460 1.00 0.18 C ATOM 802 CD1 LEU A 50 3.453 2.985 -4.990 1.00 0.26 C ATOM 803 CD2 LEU A 50 3.626 0.629 -4.175 1.00 0.20 C ATOM 0 H LEU A 50 1.655 4.794 -2.999 1.00 0.12 H new ATOM 0 HA LEU A 50 0.062 2.626 -4.224 1.00 0.12 H new ATOM 0 HB2 LEU A 50 2.568 2.678 -2.516 1.00 0.13 H new ATOM 0 HB3 LEU A 50 1.605 1.225 -2.695 1.00 0.13 H new ATOM 0 HG LEU A 50 1.969 1.481 -5.227 1.00 0.18 H new ATOM 0 HD11 LEU A 50 3.999 2.698 -5.888 1.00 0.26 H new ATOM 0 HD12 LEU A 50 2.757 3.789 -5.230 1.00 0.26 H new ATOM 0 HD13 LEU A 50 4.157 3.329 -4.232 1.00 0.26 H new ATOM 0 HD21 LEU A 50 4.178 0.379 -5.081 1.00 0.20 H new ATOM 0 HD22 LEU A 50 4.327 0.916 -3.391 1.00 0.20 H new ATOM 0 HD23 LEU A 50 3.052 -0.238 -3.849 1.00 0.20 H new ATOM 815 N VAL A 51 -1.477 2.587 -2.275 1.00 0.10 N ATOM 816 CA VAL A 51 -2.376 2.478 -1.137 1.00 0.10 C ATOM 817 C VAL A 51 -2.747 1.029 -0.859 1.00 0.10 C ATOM 818 O VAL A 51 -3.432 0.392 -1.644 1.00 0.13 O ATOM 819 CB VAL A 51 -3.660 3.283 -1.364 1.00 0.13 C ATOM 820 CG1 VAL A 51 -4.597 3.131 -0.178 1.00 0.21 C ATOM 821 CG2 VAL A 51 -3.327 4.741 -1.619 1.00 0.16 C ATOM 0 H VAL A 51 -1.906 2.377 -3.176 1.00 0.10 H new ATOM 0 HA VAL A 51 -1.843 2.883 -0.277 1.00 0.10 H new ATOM 0 HB VAL A 51 -4.170 2.894 -2.245 1.00 0.13 H new ATOM 0 HG11 VAL A 51 -5.504 3.709 -0.355 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -4.855 2.080 -0.051 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -4.105 3.495 0.724 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -4.248 5.302 -1.779 1.00 0.16 H new ATOM 0 HG22 VAL A 51 -2.798 5.149 -0.758 1.00 0.16 H new ATOM 0 HG23 VAL A 51 -2.696 4.821 -2.504 1.00 0.16 H new ATOM 831 N LEU A 52 -2.311 0.516 0.269 1.00 0.11 N ATOM 832 CA LEU A 52 -2.608 -0.852 0.638 1.00 0.11 C ATOM 833 C LEU A 52 -3.933 -0.909 1.372 1.00 0.11 C ATOM 834 O LEU A 52 -3.995 -0.806 2.592 1.00 0.13 O ATOM 835 CB LEU A 52 -1.493 -1.433 1.492 1.00 0.11 C ATOM 836 CG LEU A 52 -0.095 -1.230 0.894 1.00 0.12 C ATOM 837 CD1 LEU A 52 0.646 -0.123 1.622 1.00 0.15 C ATOM 838 CD2 LEU A 52 0.701 -2.526 0.923 1.00 0.15 C ATOM 0 H LEU A 52 -1.748 1.026 0.949 1.00 0.11 H new ATOM 0 HA LEU A 52 -2.682 -1.453 -0.268 1.00 0.11 H new ATOM 0 HB2 LEU A 52 -1.527 -0.975 2.480 1.00 0.11 H new ATOM 0 HB3 LEU A 52 -1.669 -2.500 1.629 1.00 0.11 H new ATOM 0 HG LEU A 52 -0.212 -0.931 -0.148 1.00 0.12 H new ATOM 0 HD11 LEU A 52 1.635 0.004 1.181 1.00 0.15 H new ATOM 0 HD12 LEU A 52 0.087 0.809 1.533 1.00 0.15 H new ATOM 0 HD13 LEU A 52 0.749 -0.385 2.675 1.00 0.15 H new ATOM 0 HD21 LEU A 52 1.688 -2.356 0.494 1.00 0.15 H new ATOM 0 HD22 LEU A 52 0.807 -2.865 1.954 1.00 0.15 H new ATOM 0 HD23 LEU A 52 0.179 -3.287 0.343 1.00 0.15 H new ATOM 850 N LEU A 53 -4.986 -1.031 0.598 1.00 0.16 N ATOM 851 CA LEU A 53 -6.343 -1.032 1.117 1.00 0.20 C ATOM 852 C LEU A 53 -6.751 -2.414 1.572 1.00 0.20 C ATOM 853 O LEU A 53 -6.935 -3.313 0.752 1.00 0.19 O ATOM 854 CB LEU A 53 -7.296 -0.549 0.039 1.00 0.30 C ATOM 855 CG LEU A 53 -7.308 0.954 -0.172 1.00 0.51 C ATOM 856 CD1 LEU A 53 -8.013 1.294 -1.457 1.00 1.53 C ATOM 857 CD2 LEU A 53 -7.997 1.631 0.990 1.00 0.90 C ATOM 0 H LEU A 53 -4.930 -1.133 -0.415 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.384 -0.364 1.977 1.00 0.20 H new ATOM 0 HB2 LEU A 53 -7.033 -1.032 -0.902 1.00 0.30 H new ATOM 0 HB3 LEU A 53 -8.305 -0.874 0.293 1.00 0.30 H new ATOM 0 HG LEU A 53 -6.279 1.309 -0.233 1.00 0.51 H new ATOM 0 HD11 LEU A 53 -8.015 2.375 -1.596 1.00 1.53 H new ATOM 0 HD12 LEU A 53 -7.496 0.821 -2.292 1.00 1.53 H new ATOM 0 HD13 LEU A 53 -9.040 0.932 -1.415 1.00 1.53 H new ATOM 0 HD21 LEU A 53 -8.002 2.709 0.832 1.00 0.90 H new ATOM 0 HD22 LEU A 53 -9.023 1.271 1.065 1.00 0.90 H new ATOM 0 HD23 LEU A 53 -7.464 1.402 1.913 1.00 0.90 H new ATOM 869 N ASP A 54 -6.890 -2.589 2.870 1.00 0.28 N ATOM 870 CA ASP A 54 -7.264 -3.880 3.397 1.00 0.35 C ATOM 871 C ASP A 54 -8.694 -4.226 3.030 1.00 0.37 C ATOM 872 O ASP A 54 -9.645 -3.554 3.433 1.00 0.63 O ATOM 873 CB ASP A 54 -7.096 -3.941 4.903 1.00 0.59 C ATOM 874 CG ASP A 54 -7.233 -5.357 5.402 1.00 1.03 C ATOM 875 OD1 ASP A 54 -7.255 -6.269 4.560 1.00 1.33 O ATOM 876 OD2 ASP A 54 -7.321 -5.564 6.624 1.00 1.47 O ATOM 0 H ASP A 54 -6.751 -1.861 3.571 1.00 0.28 H new ATOM 0 HA ASP A 54 -6.594 -4.612 2.946 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -6.119 -3.546 5.180 1.00 0.59 H new ATOM 0 HB3 ASP A 54 -7.843 -3.308 5.382 1.00 0.59 H new ATOM 881 N MET A 55 -8.821 -5.276 2.245 1.00 0.23 N ATOM 882 CA MET A 55 -10.113 -5.807 1.856 1.00 0.29 C ATOM 883 C MET A 55 -10.665 -6.759 2.916 1.00 0.35 C ATOM 884 O MET A 55 -11.776 -7.278 2.772 1.00 0.50 O ATOM 885 CB MET A 55 -9.989 -6.533 0.528 1.00 0.30 C ATOM 886 CG MET A 55 -10.045 -5.608 -0.669 1.00 0.32 C ATOM 887 SD MET A 55 -11.696 -5.504 -1.379 1.00 0.70 S ATOM 888 CE MET A 55 -11.998 -7.221 -1.791 1.00 0.94 C ATOM 0 H MET A 55 -8.029 -5.788 1.857 1.00 0.23 H new ATOM 0 HA MET A 55 -10.807 -4.973 1.757 1.00 0.29 H new ATOM 0 HB2 MET A 55 -9.048 -7.083 0.509 1.00 0.30 H new ATOM 0 HB3 MET A 55 -10.790 -7.268 0.448 1.00 0.30 H new ATOM 0 HG2 MET A 55 -9.717 -4.612 -0.371 1.00 0.32 H new ATOM 0 HG3 MET A 55 -9.347 -5.959 -1.429 1.00 0.32 H new ATOM 0 HE1 MET A 55 -12.613 -7.277 -2.689 1.00 0.94 H new ATOM 0 HE2 MET A 55 -11.048 -7.725 -1.970 1.00 0.94 H new ATOM 0 HE3 MET A 55 -12.517 -7.708 -0.965 1.00 0.94 H new ATOM 898 N LYS A 56 -9.878 -7.011 3.965 1.00 0.30 N ATOM 899 CA LYS A 56 -10.294 -7.914 5.033 1.00 0.35 C ATOM 900 C LYS A 56 -11.545 -7.435 5.761 1.00 0.34 C ATOM 901 O LYS A 56 -12.590 -8.081 5.682 1.00 0.44 O ATOM 902 CB LYS A 56 -9.160 -8.140 6.034 1.00 0.34 C ATOM 903 CG LYS A 56 -7.980 -8.886 5.440 1.00 0.46 C ATOM 904 CD LYS A 56 -8.428 -10.154 4.736 1.00 0.59 C ATOM 905 CE LYS A 56 -9.287 -11.015 5.645 1.00 1.26 C ATOM 906 NZ LYS A 56 -10.045 -12.039 4.883 1.00 2.24 N ATOM 0 H LYS A 56 -8.953 -6.602 4.095 1.00 0.30 H new ATOM 0 HA LYS A 56 -10.542 -8.860 4.551 1.00 0.35 H new ATOM 0 HB2 LYS A 56 -8.820 -7.176 6.412 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -9.543 -8.699 6.887 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -7.457 -8.241 4.734 1.00 0.46 H new ATOM 0 HG3 LYS A 56 -7.271 -9.136 6.229 1.00 0.46 H new ATOM 0 HD2 LYS A 56 -8.990 -9.895 3.839 1.00 0.59 H new ATOM 0 HD3 LYS A 56 -7.555 -10.721 4.413 1.00 0.59 H new ATOM 0 HE2 LYS A 56 -8.654 -11.507 6.384 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.984 -10.381 6.194 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -11.065 -11.886 5.016 1.00 2.24 H new ATOM 0 HZ2 LYS A 56 -9.813 -11.962 3.872 1.00 2.24 H new ATOM 0 HZ3 LYS A 56 -9.789 -12.987 5.226 1.00 2.24 H new ATOM 920 N ILE A 57 -11.450 -6.308 6.460 1.00 0.29 N ATOM 921 CA ILE A 57 -12.540 -5.879 7.331 1.00 0.36 C ATOM 922 C ILE A 57 -12.395 -4.438 7.884 1.00 0.30 C ATOM 923 O ILE A 57 -13.428 -3.806 8.116 1.00 0.40 O ATOM 924 CB ILE A 57 -12.752 -6.879 8.506 1.00 0.51 C ATOM 925 CG1 ILE A 57 -13.997 -6.512 9.321 1.00 1.45 C ATOM 926 CG2 ILE A 57 -11.531 -6.943 9.413 1.00 0.90 C ATOM 927 CD1 ILE A 57 -15.290 -6.604 8.536 1.00 2.06 C ATOM 0 H ILE A 57 -10.643 -5.684 6.442 1.00 0.29 H new ATOM 0 HA ILE A 57 -13.420 -5.871 6.688 1.00 0.36 H new ATOM 0 HB ILE A 57 -12.900 -7.866 8.067 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -14.061 -7.171 10.187 1.00 1.45 H new ATOM 0 HG13 ILE A 57 -13.885 -5.497 9.701 1.00 1.45 H new ATOM 0 HG21 ILE A 57 -11.715 -7.651 10.221 1.00 0.90 H new ATOM 0 HG22 ILE A 57 -10.666 -7.269 8.836 1.00 0.90 H new ATOM 0 HG23 ILE A 57 -11.337 -5.956 9.832 1.00 0.90 H new ATOM 0 HD11 ILE A 57 -16.126 -6.330 9.179 1.00 2.06 H new ATOM 0 HD12 ILE A 57 -15.248 -5.924 7.685 1.00 2.06 H new ATOM 0 HD13 ILE A 57 -15.427 -7.625 8.178 1.00 2.06 H new ATOM 939 N PRO A 58 -11.151 -3.888 8.115 1.00 0.29 N ATOM 940 CA PRO A 58 -10.934 -2.536 8.662 1.00 0.31 C ATOM 941 C PRO A 58 -12.073 -1.536 8.462 1.00 0.27 C ATOM 942 O PRO A 58 -12.577 -0.964 9.429 1.00 0.33 O ATOM 943 CB PRO A 58 -9.693 -2.115 7.894 1.00 0.40 C ATOM 944 CG PRO A 58 -8.857 -3.350 7.897 1.00 0.45 C ATOM 945 CD PRO A 58 -9.821 -4.523 7.902 1.00 0.45 C ATOM 0 HA PRO A 58 -10.853 -2.551 9.749 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -9.936 -1.795 6.881 1.00 0.40 H new ATOM 0 HB3 PRO A 58 -9.183 -1.282 8.378 1.00 0.40 H new ATOM 0 HG2 PRO A 58 -8.210 -3.383 7.020 1.00 0.45 H new ATOM 0 HG3 PRO A 58 -8.208 -3.377 8.773 1.00 0.45 H new ATOM 0 HD2 PRO A 58 -9.786 -5.073 6.962 1.00 0.45 H new ATOM 0 HD3 PRO A 58 -9.584 -5.232 8.695 1.00 0.45 H new ATOM 953 N GLY A 59 -12.486 -1.328 7.221 1.00 0.32 N ATOM 954 CA GLY A 59 -13.561 -0.396 6.968 1.00 0.44 C ATOM 955 C GLY A 59 -14.455 -0.832 5.832 1.00 0.40 C ATOM 956 O GLY A 59 -15.639 -1.100 6.026 1.00 0.47 O ATOM 0 H GLY A 59 -12.100 -1.783 6.394 1.00 0.32 H new ATOM 0 HA2 GLY A 59 -14.159 -0.283 7.872 1.00 0.44 H new ATOM 0 HA3 GLY A 59 -13.141 0.583 6.739 1.00 0.44 H new ATOM 960 N MET A 60 -13.879 -0.922 4.649 1.00 0.32 N ATOM 961 CA MET A 60 -14.640 -1.199 3.445 1.00 0.30 C ATOM 962 C MET A 60 -13.772 -1.977 2.471 1.00 0.21 C ATOM 963 O MET A 60 -12.561 -2.077 2.673 1.00 0.18 O ATOM 964 CB MET A 60 -15.112 0.127 2.832 1.00 0.37 C ATOM 965 CG MET A 60 -15.952 -0.014 1.571 1.00 0.43 C ATOM 966 SD MET A 60 -16.587 1.567 0.997 1.00 1.82 S ATOM 967 CE MET A 60 -17.625 2.009 2.388 1.00 2.23 C ATOM 0 H MET A 60 -12.877 -0.806 4.495 1.00 0.32 H new ATOM 0 HA MET A 60 -15.517 -1.802 3.679 1.00 0.30 H new ATOM 0 HB2 MET A 60 -15.692 0.670 3.579 1.00 0.37 H new ATOM 0 HB3 MET A 60 -14.238 0.736 2.603 1.00 0.37 H new ATOM 0 HG2 MET A 60 -15.350 -0.469 0.784 1.00 0.43 H new ATOM 0 HG3 MET A 60 -16.785 -0.689 1.765 1.00 0.43 H new ATOM 0 HE1 MET A 60 -18.411 2.687 2.055 1.00 2.23 H new ATOM 0 HE2 MET A 60 -18.076 1.109 2.806 1.00 2.23 H new ATOM 0 HE3 MET A 60 -17.021 2.500 3.151 1.00 2.23 H new ATOM 977 N ASP A 61 -14.384 -2.535 1.434 1.00 0.21 N ATOM 978 CA ASP A 61 -13.645 -3.195 0.381 1.00 0.18 C ATOM 979 C ASP A 61 -12.680 -2.221 -0.242 1.00 0.14 C ATOM 980 O ASP A 61 -13.060 -1.123 -0.668 1.00 0.17 O ATOM 981 CB ASP A 61 -14.571 -3.717 -0.716 1.00 0.26 C ATOM 982 CG ASP A 61 -15.391 -4.919 -0.288 1.00 0.48 C ATOM 983 OD1 ASP A 61 -14.918 -6.061 -0.463 1.00 0.67 O ATOM 984 OD2 ASP A 61 -16.516 -4.729 0.226 1.00 0.64 O ATOM 0 H ASP A 61 -15.396 -2.540 1.305 1.00 0.21 H new ATOM 0 HA ASP A 61 -13.118 -4.038 0.828 1.00 0.18 H new ATOM 0 HB2 ASP A 61 -15.245 -2.917 -1.024 1.00 0.26 H new ATOM 0 HB3 ASP A 61 -13.975 -3.985 -1.588 1.00 0.26 H new ATOM 989 N GLY A 62 -11.437 -2.642 -0.302 1.00 0.16 N ATOM 990 CA GLY A 62 -10.393 -1.819 -0.845 1.00 0.20 C ATOM 991 C GLY A 62 -10.652 -1.428 -2.280 1.00 0.20 C ATOM 992 O GLY A 62 -10.038 -0.508 -2.784 1.00 0.32 O ATOM 0 H GLY A 62 -11.128 -3.558 0.023 1.00 0.16 H new ATOM 0 HA2 GLY A 62 -10.292 -0.919 -0.239 1.00 0.20 H new ATOM 0 HA3 GLY A 62 -9.445 -2.353 -0.783 1.00 0.20 H new ATOM 996 N ILE A 63 -11.572 -2.114 -2.944 1.00 0.16 N ATOM 997 CA ILE A 63 -11.857 -1.811 -4.334 1.00 0.17 C ATOM 998 C ILE A 63 -12.718 -0.573 -4.437 1.00 0.18 C ATOM 999 O ILE A 63 -12.500 0.282 -5.297 1.00 0.22 O ATOM 1000 CB ILE A 63 -12.568 -2.975 -5.035 1.00 0.21 C ATOM 1001 CG1 ILE A 63 -12.066 -4.316 -4.496 1.00 0.26 C ATOM 1002 CG2 ILE A 63 -12.362 -2.890 -6.538 1.00 0.30 C ATOM 1003 CD1 ILE A 63 -10.562 -4.456 -4.467 1.00 1.31 C ATOM 0 H ILE A 63 -12.125 -2.873 -2.547 1.00 0.16 H new ATOM 0 HA ILE A 63 -10.901 -1.641 -4.829 1.00 0.17 H new ATOM 0 HB ILE A 63 -13.636 -2.904 -4.828 1.00 0.21 H new ATOM 0 HG12 ILE A 63 -12.451 -4.454 -3.486 1.00 0.26 H new ATOM 0 HG13 ILE A 63 -12.481 -5.117 -5.107 1.00 0.26 H new ATOM 0 HG21 ILE A 63 -12.872 -3.722 -7.023 1.00 0.30 H new ATOM 0 HG22 ILE A 63 -12.769 -1.949 -6.908 1.00 0.30 H new ATOM 0 HG23 ILE A 63 -11.296 -2.937 -6.762 1.00 0.30 H new ATOM 0 HD11 ILE A 63 -10.295 -5.436 -4.071 1.00 1.31 H new ATOM 0 HD12 ILE A 63 -10.167 -4.353 -5.478 1.00 1.31 H new ATOM 0 HD13 ILE A 63 -10.137 -3.680 -3.831 1.00 1.31 H new ATOM 1015 N GLU A 64 -13.689 -0.478 -3.555 1.00 0.15 N ATOM 1016 CA GLU A 64 -14.536 0.691 -3.494 1.00 0.17 C ATOM 1017 C GLU A 64 -13.724 1.874 -3.007 1.00 0.16 C ATOM 1018 O GLU A 64 -13.876 2.995 -3.497 1.00 0.18 O ATOM 1019 CB GLU A 64 -15.733 0.436 -2.582 1.00 0.21 C ATOM 1020 CG GLU A 64 -16.603 -0.717 -3.058 1.00 0.24 C ATOM 1021 CD GLU A 64 -17.115 -0.508 -4.469 1.00 0.32 C ATOM 1022 OE1 GLU A 64 -18.186 0.121 -4.635 1.00 0.47 O ATOM 1023 OE2 GLU A 64 -16.458 -0.977 -5.416 1.00 0.43 O ATOM 0 H GLU A 64 -13.911 -1.199 -2.869 1.00 0.15 H new ATOM 0 HA GLU A 64 -14.920 0.913 -4.490 1.00 0.17 H new ATOM 0 HB2 GLU A 64 -15.377 0.224 -1.574 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -16.338 1.341 -2.523 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -16.030 -1.643 -3.016 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -17.449 -0.834 -2.381 1.00 0.24 H new ATOM 1030 N ILE A 65 -12.820 1.613 -2.074 1.00 0.15 N ATOM 1031 CA ILE A 65 -11.966 2.668 -1.565 1.00 0.16 C ATOM 1032 C ILE A 65 -10.917 3.062 -2.603 1.00 0.15 C ATOM 1033 O ILE A 65 -10.572 4.236 -2.733 1.00 0.16 O ATOM 1034 CB ILE A 65 -11.251 2.278 -0.265 1.00 0.19 C ATOM 1035 CG1 ILE A 65 -12.201 1.574 0.700 1.00 0.24 C ATOM 1036 CG2 ILE A 65 -10.683 3.526 0.391 1.00 0.25 C ATOM 1037 CD1 ILE A 65 -11.495 0.994 1.906 1.00 0.69 C ATOM 0 H ILE A 65 -12.662 0.694 -1.661 1.00 0.15 H new ATOM 0 HA ILE A 65 -12.623 3.511 -1.352 1.00 0.16 H new ATOM 0 HB ILE A 65 -10.445 1.586 -0.509 1.00 0.19 H new ATOM 0 HG12 ILE A 65 -12.960 2.281 1.035 1.00 0.24 H new ATOM 0 HG13 ILE A 65 -12.721 0.775 0.171 1.00 0.24 H new ATOM 0 HG21 ILE A 65 -10.174 3.252 1.315 1.00 0.25 H new ATOM 0 HG22 ILE A 65 -9.974 4.002 -0.286 1.00 0.25 H new ATOM 0 HG23 ILE A 65 -11.493 4.220 0.615 1.00 0.25 H new ATOM 0 HD11 ILE A 65 -12.223 0.507 2.554 1.00 0.69 H new ATOM 0 HD12 ILE A 65 -10.755 0.264 1.578 1.00 0.69 H new ATOM 0 HD13 ILE A 65 -10.997 1.793 2.455 1.00 0.69 H new ATOM 1049 N LEU A 66 -10.416 2.088 -3.355 1.00 0.15 N ATOM 1050 CA LEU A 66 -9.389 2.379 -4.342 1.00 0.22 C ATOM 1051 C LEU A 66 -9.967 3.227 -5.446 1.00 0.16 C ATOM 1052 O LEU A 66 -9.305 4.113 -5.960 1.00 0.15 O ATOM 1053 CB LEU A 66 -8.716 1.101 -4.901 1.00 0.43 C ATOM 1054 CG LEU A 66 -9.499 0.248 -5.912 1.00 0.59 C ATOM 1055 CD1 LEU A 66 -9.392 0.820 -7.317 1.00 0.86 C ATOM 1056 CD2 LEU A 66 -8.988 -1.187 -5.896 1.00 1.47 C ATOM 0 H LEU A 66 -10.699 1.109 -3.301 1.00 0.15 H new ATOM 0 HA LEU A 66 -8.598 2.938 -3.842 1.00 0.22 H new ATOM 0 HB2 LEU A 66 -7.779 1.398 -5.372 1.00 0.43 H new ATOM 0 HB3 LEU A 66 -8.460 0.463 -4.055 1.00 0.43 H new ATOM 0 HG LEU A 66 -10.549 0.261 -5.619 1.00 0.59 H new ATOM 0 HD11 LEU A 66 -9.956 0.194 -8.009 1.00 0.86 H new ATOM 0 HD12 LEU A 66 -9.797 1.832 -7.330 1.00 0.86 H new ATOM 0 HD13 LEU A 66 -8.346 0.844 -7.621 1.00 0.86 H new ATOM 0 HD21 LEU A 66 -9.550 -1.781 -6.616 1.00 1.47 H new ATOM 0 HD22 LEU A 66 -7.931 -1.200 -6.162 1.00 1.47 H new ATOM 0 HD23 LEU A 66 -9.117 -1.608 -4.899 1.00 1.47 H new ATOM 1068 N LYS A 67 -11.216 2.981 -5.800 1.00 0.17 N ATOM 1069 CA LYS A 67 -11.824 3.755 -6.857 1.00 0.17 C ATOM 1070 C LYS A 67 -12.203 5.144 -6.377 1.00 0.14 C ATOM 1071 O LYS A 67 -12.136 6.086 -7.153 1.00 0.15 O ATOM 1072 CB LYS A 67 -13.023 3.036 -7.479 1.00 0.22 C ATOM 1073 CG LYS A 67 -14.047 2.557 -6.475 1.00 0.19 C ATOM 1074 CD LYS A 67 -15.304 2.053 -7.171 1.00 0.27 C ATOM 1075 CE LYS A 67 -15.012 0.878 -8.104 1.00 0.42 C ATOM 1076 NZ LYS A 67 -14.762 -0.388 -7.358 1.00 0.65 N ATOM 0 H LYS A 67 -11.813 2.269 -5.381 1.00 0.17 H new ATOM 0 HA LYS A 67 -11.075 3.866 -7.641 1.00 0.17 H new ATOM 0 HB2 LYS A 67 -13.510 3.709 -8.185 1.00 0.22 H new ATOM 0 HB3 LYS A 67 -12.663 2.180 -8.051 1.00 0.22 H new ATOM 0 HG2 LYS A 67 -13.620 1.759 -5.867 1.00 0.19 H new ATOM 0 HG3 LYS A 67 -14.304 3.371 -5.797 1.00 0.19 H new ATOM 0 HD2 LYS A 67 -16.035 1.748 -6.422 1.00 0.27 H new ATOM 0 HD3 LYS A 67 -15.753 2.866 -7.742 1.00 0.27 H new ATOM 0 HE2 LYS A 67 -15.854 0.737 -8.782 1.00 0.42 H new ATOM 0 HE3 LYS A 67 -14.143 1.112 -8.719 1.00 0.42 H new ATOM 0 HZ1 LYS A 67 -14.653 -1.172 -8.032 1.00 0.65 H new ATOM 0 HZ2 LYS A 67 -13.894 -0.293 -6.794 1.00 0.65 H new ATOM 0 HZ3 LYS A 67 -15.565 -0.583 -6.727 1.00 0.65 H new ATOM 1090 N ARG A 68 -12.582 5.303 -5.109 1.00 0.13 N ATOM 1091 CA ARG A 68 -12.822 6.659 -4.604 1.00 0.14 C ATOM 1092 C ARG A 68 -11.528 7.465 -4.529 1.00 0.12 C ATOM 1093 O ARG A 68 -11.523 8.671 -4.798 1.00 0.15 O ATOM 1094 CB ARG A 68 -13.561 6.680 -3.253 1.00 0.16 C ATOM 1095 CG ARG A 68 -13.070 5.677 -2.239 1.00 0.25 C ATOM 1096 CD ARG A 68 -14.118 5.419 -1.169 1.00 0.37 C ATOM 1097 NE ARG A 68 -15.320 4.797 -1.727 1.00 1.18 N ATOM 1098 CZ ARG A 68 -16.456 4.613 -1.051 1.00 1.28 C ATOM 1099 NH1 ARG A 68 -16.569 5.049 0.197 1.00 0.98 N ATOM 1100 NH2 ARG A 68 -17.480 3.990 -1.625 1.00 2.18 N ATOM 0 H ARG A 68 -12.725 4.549 -4.437 1.00 0.13 H new ATOM 0 HA ARG A 68 -13.483 7.135 -5.328 1.00 0.14 H new ATOM 0 HB2 ARG A 68 -13.474 7.679 -2.825 1.00 0.16 H new ATOM 0 HB3 ARG A 68 -14.621 6.502 -3.434 1.00 0.16 H new ATOM 0 HG2 ARG A 68 -12.820 4.742 -2.740 1.00 0.25 H new ATOM 0 HG3 ARG A 68 -12.155 6.044 -1.774 1.00 0.25 H new ATOM 0 HD2 ARG A 68 -13.699 4.773 -0.397 1.00 0.37 H new ATOM 0 HD3 ARG A 68 -14.385 6.359 -0.687 1.00 0.37 H new ATOM 0 HE ARG A 68 -15.287 4.483 -2.697 1.00 1.18 H new ATOM 0 HH11 ARG A 68 -15.786 5.527 0.643 1.00 0.98 H new ATOM 0 HH12 ARG A 68 -17.439 4.906 0.710 1.00 0.98 H new ATOM 0 HH21 ARG A 68 -17.399 3.652 -2.584 1.00 2.18 H new ATOM 0 HH22 ARG A 68 -18.347 3.850 -1.107 1.00 2.18 H new ATOM 1114 N MET A 69 -10.422 6.810 -4.202 1.00 0.11 N ATOM 1115 CA MET A 69 -9.141 7.496 -4.199 1.00 0.12 C ATOM 1116 C MET A 69 -8.611 7.589 -5.612 1.00 0.10 C ATOM 1117 O MET A 69 -7.722 8.373 -5.891 1.00 0.12 O ATOM 1118 CB MET A 69 -8.123 6.818 -3.295 1.00 0.15 C ATOM 1119 CG MET A 69 -7.731 5.451 -3.775 1.00 0.25 C ATOM 1120 SD MET A 69 -6.765 4.543 -2.559 1.00 0.33 S ATOM 1121 CE MET A 69 -7.702 4.864 -1.066 1.00 1.28 C ATOM 0 H MET A 69 -10.386 5.825 -3.941 1.00 0.11 H new ATOM 0 HA MET A 69 -9.303 8.497 -3.799 1.00 0.12 H new ATOM 0 HB2 MET A 69 -7.232 7.443 -3.228 1.00 0.15 H new ATOM 0 HB3 MET A 69 -8.534 6.740 -2.289 1.00 0.15 H new ATOM 0 HG2 MET A 69 -8.629 4.883 -4.018 1.00 0.25 H new ATOM 0 HG3 MET A 69 -7.155 5.544 -4.696 1.00 0.25 H new ATOM 0 HE1 MET A 69 -7.584 4.029 -0.376 1.00 1.28 H new ATOM 0 HE2 MET A 69 -7.337 5.778 -0.597 1.00 1.28 H new ATOM 0 HE3 MET A 69 -8.756 4.981 -1.316 1.00 1.28 H new ATOM 1131 N LYS A 70 -9.159 6.773 -6.497 1.00 0.08 N ATOM 1132 CA LYS A 70 -8.931 6.937 -7.917 1.00 0.10 C ATOM 1133 C LYS A 70 -9.660 8.197 -8.379 1.00 0.13 C ATOM 1134 O LYS A 70 -9.145 8.992 -9.148 1.00 0.23 O ATOM 1135 CB LYS A 70 -9.440 5.719 -8.689 1.00 0.14 C ATOM 1136 CG LYS A 70 -8.345 4.912 -9.350 1.00 0.17 C ATOM 1137 CD LYS A 70 -7.601 4.088 -8.346 1.00 0.41 C ATOM 1138 CE LYS A 70 -6.910 2.942 -9.038 1.00 0.33 C ATOM 1139 NZ LYS A 70 -5.794 3.398 -9.913 1.00 1.30 N ATOM 0 H LYS A 70 -9.765 5.990 -6.253 1.00 0.08 H new ATOM 0 HA LYS A 70 -7.862 7.031 -8.109 1.00 0.10 H new ATOM 0 HB2 LYS A 70 -9.992 5.073 -8.006 1.00 0.14 H new ATOM 0 HB3 LYS A 70 -10.143 6.052 -9.452 1.00 0.14 H new ATOM 0 HG2 LYS A 70 -8.777 4.261 -10.110 1.00 0.17 H new ATOM 0 HG3 LYS A 70 -7.653 5.582 -9.860 1.00 0.17 H new ATOM 0 HD2 LYS A 70 -6.869 4.706 -7.826 1.00 0.41 H new ATOM 0 HD3 LYS A 70 -8.290 3.707 -7.592 1.00 0.41 H new ATOM 0 HE2 LYS A 70 -6.523 2.250 -8.290 1.00 0.33 H new ATOM 0 HE3 LYS A 70 -7.636 2.391 -9.636 1.00 0.33 H new ATOM 0 HZ1 LYS A 70 -5.740 2.788 -10.754 1.00 1.30 H new ATOM 0 HZ2 LYS A 70 -5.964 4.381 -10.208 1.00 1.30 H new ATOM 0 HZ3 LYS A 70 -4.897 3.344 -9.389 1.00 1.30 H new ATOM 1153 N VAL A 71 -10.863 8.389 -7.864 1.00 0.13 N ATOM 1154 CA VAL A 71 -11.660 9.565 -8.213 1.00 0.18 C ATOM 1155 C VAL A 71 -10.945 10.844 -7.787 1.00 0.15 C ATOM 1156 O VAL A 71 -10.951 11.840 -8.514 1.00 0.16 O ATOM 1157 CB VAL A 71 -13.069 9.532 -7.570 1.00 0.26 C ATOM 1158 CG1 VAL A 71 -13.837 10.812 -7.870 1.00 0.87 C ATOM 1159 CG2 VAL A 71 -13.857 8.325 -8.054 1.00 1.03 C ATOM 0 H VAL A 71 -11.312 7.752 -7.206 1.00 0.13 H new ATOM 0 HA VAL A 71 -11.781 9.550 -9.296 1.00 0.18 H new ATOM 0 HB VAL A 71 -12.938 9.453 -6.491 1.00 0.26 H new ATOM 0 HG11 VAL A 71 -14.822 10.762 -7.407 1.00 0.87 H new ATOM 0 HG12 VAL A 71 -13.291 11.666 -7.470 1.00 0.87 H new ATOM 0 HG13 VAL A 71 -13.948 10.925 -8.948 1.00 0.87 H new ATOM 0 HG21 VAL A 71 -14.843 8.324 -7.589 1.00 1.03 H new ATOM 0 HG22 VAL A 71 -13.967 8.373 -9.137 1.00 1.03 H new ATOM 0 HG23 VAL A 71 -13.327 7.412 -7.783 1.00 1.03 H new ATOM 1169 N ILE A 72 -10.308 10.813 -6.624 1.00 0.13 N ATOM 1170 CA ILE A 72 -9.517 11.953 -6.179 1.00 0.14 C ATOM 1171 C ILE A 72 -8.103 11.888 -6.759 1.00 0.15 C ATOM 1172 O ILE A 72 -7.419 12.903 -6.846 1.00 0.26 O ATOM 1173 CB ILE A 72 -9.452 12.068 -4.632 1.00 0.16 C ATOM 1174 CG1 ILE A 72 -8.854 10.807 -4.010 1.00 0.13 C ATOM 1175 CG2 ILE A 72 -10.843 12.333 -4.067 1.00 0.22 C ATOM 1176 CD1 ILE A 72 -8.730 10.878 -2.503 1.00 0.14 C ATOM 0 H ILE A 72 -10.322 10.023 -5.979 1.00 0.13 H new ATOM 0 HA ILE A 72 -10.020 12.846 -6.550 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.802 12.906 -4.379 1.00 0.16 H new ATOM 0 HG12 ILE A 72 -9.474 9.951 -4.276 1.00 0.13 H new ATOM 0 HG13 ILE A 72 -7.868 10.632 -4.440 1.00 0.13 H new ATOM 0 HG21 ILE A 72 -10.786 12.412 -2.981 1.00 0.22 H new ATOM 0 HG22 ILE A 72 -11.231 13.265 -4.479 1.00 0.22 H new ATOM 0 HG23 ILE A 72 -11.508 11.512 -4.337 1.00 0.22 H new ATOM 0 HD11 ILE A 72 -8.298 9.950 -2.129 1.00 0.14 H new ATOM 0 HD12 ILE A 72 -8.085 11.714 -2.230 1.00 0.14 H new ATOM 0 HD13 ILE A 72 -9.717 11.022 -2.063 1.00 0.14 H new ATOM 1188 N ASP A 73 -7.689 10.693 -7.180 1.00 0.11 N ATOM 1189 CA ASP A 73 -6.346 10.478 -7.718 1.00 0.12 C ATOM 1190 C ASP A 73 -6.234 9.183 -8.506 1.00 0.13 C ATOM 1191 O ASP A 73 -5.811 8.174 -7.975 1.00 0.17 O ATOM 1192 CB ASP A 73 -5.308 10.431 -6.596 1.00 0.20 C ATOM 1193 CG ASP A 73 -4.614 11.759 -6.395 1.00 0.61 C ATOM 1194 OD1 ASP A 73 -3.829 12.173 -7.275 1.00 0.76 O ATOM 1195 OD2 ASP A 73 -4.856 12.391 -5.345 1.00 1.08 O ATOM 0 H ASP A 73 -8.269 9.854 -7.158 1.00 0.11 H new ATOM 0 HA ASP A 73 -6.156 11.319 -8.385 1.00 0.12 H new ATOM 0 HB2 ASP A 73 -5.795 10.135 -5.667 1.00 0.20 H new ATOM 0 HB3 ASP A 73 -4.565 9.667 -6.824 1.00 0.20 H new ATOM 1200 N GLU A 74 -6.579 9.197 -9.779 1.00 0.13 N ATOM 1201 CA GLU A 74 -6.360 8.012 -10.607 1.00 0.16 C ATOM 1202 C GLU A 74 -4.873 7.868 -10.923 1.00 0.18 C ATOM 1203 O GLU A 74 -4.458 6.995 -11.683 1.00 0.24 O ATOM 1204 CB GLU A 74 -7.180 8.024 -11.899 1.00 0.18 C ATOM 1205 CG GLU A 74 -8.658 7.751 -11.677 1.00 0.52 C ATOM 1206 CD GLU A 74 -9.399 7.423 -12.956 1.00 1.26 C ATOM 1207 OE1 GLU A 74 -8.940 6.542 -13.707 1.00 1.67 O ATOM 1208 OE2 GLU A 74 -10.433 8.067 -13.229 1.00 1.78 O ATOM 0 H GLU A 74 -7.002 9.991 -10.259 1.00 0.13 H new ATOM 0 HA GLU A 74 -6.702 7.152 -10.031 1.00 0.16 H new ATOM 0 HB2 GLU A 74 -7.066 8.993 -12.384 1.00 0.18 H new ATOM 0 HB3 GLU A 74 -6.778 7.276 -12.583 1.00 0.18 H new ATOM 0 HG2 GLU A 74 -8.767 6.922 -10.978 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -9.117 8.623 -11.212 1.00 0.52 H new ATOM 1215 N ASN A 75 -4.083 8.741 -10.312 1.00 0.17 N ATOM 1216 CA ASN A 75 -2.630 8.635 -10.328 1.00 0.21 C ATOM 1217 C ASN A 75 -2.235 7.496 -9.422 1.00 0.20 C ATOM 1218 O ASN A 75 -1.231 6.811 -9.618 1.00 0.27 O ATOM 1219 CB ASN A 75 -2.010 9.942 -9.817 1.00 0.24 C ATOM 1220 CG ASN A 75 -0.716 9.727 -9.039 1.00 0.26 C ATOM 1221 OD1 ASN A 75 0.367 9.680 -9.618 1.00 0.35 O ATOM 1222 ND2 ASN A 75 -0.826 9.617 -7.716 1.00 0.22 N ATOM 0 H ASN A 75 -4.433 9.545 -9.790 1.00 0.17 H new ATOM 0 HA ASN A 75 -2.274 8.453 -11.342 1.00 0.21 H new ATOM 0 HB2 ASN A 75 -1.813 10.599 -10.664 1.00 0.24 H new ATOM 0 HB3 ASN A 75 -2.730 10.453 -9.178 1.00 0.24 H new ATOM 0 HD21 ASN A 75 0.009 9.488 -7.144 1.00 0.22 H new ATOM 0 HD22 ASN A 75 -1.745 9.661 -7.275 1.00 0.22 H new ATOM 1229 N ILE A 76 -3.093 7.297 -8.451 1.00 0.16 N ATOM 1230 CA ILE A 76 -2.856 6.399 -7.356 1.00 0.16 C ATOM 1231 C ILE A 76 -3.031 4.957 -7.777 1.00 0.17 C ATOM 1232 O ILE A 76 -3.657 4.652 -8.799 1.00 0.21 O ATOM 1233 CB ILE A 76 -3.841 6.730 -6.229 1.00 0.16 C ATOM 1234 CG1 ILE A 76 -3.216 6.558 -4.865 1.00 0.16 C ATOM 1235 CG2 ILE A 76 -5.112 5.888 -6.320 1.00 0.18 C ATOM 1236 CD1 ILE A 76 -4.036 7.229 -3.795 1.00 0.19 C ATOM 0 H ILE A 76 -3.996 7.768 -8.403 1.00 0.16 H new ATOM 0 HA ILE A 76 -1.828 6.524 -7.016 1.00 0.16 H new ATOM 0 HB ILE A 76 -4.108 7.779 -6.358 1.00 0.16 H new ATOM 0 HG12 ILE A 76 -3.119 5.496 -4.639 1.00 0.16 H new ATOM 0 HG13 ILE A 76 -2.209 6.976 -4.869 1.00 0.16 H new ATOM 0 HG21 ILE A 76 -5.783 6.153 -5.503 1.00 0.18 H new ATOM 0 HG22 ILE A 76 -5.607 6.078 -7.273 1.00 0.18 H new ATOM 0 HG23 ILE A 76 -4.854 4.831 -6.249 1.00 0.18 H new ATOM 0 HD11 ILE A 76 -3.557 7.086 -2.826 1.00 0.19 H new ATOM 0 HD12 ILE A 76 -4.110 8.295 -4.009 1.00 0.19 H new ATOM 0 HD13 ILE A 76 -5.035 6.793 -3.775 1.00 0.19 H new ATOM 1248 N ARG A 77 -2.482 4.084 -6.977 1.00 0.15 N ATOM 1249 CA ARG A 77 -2.664 2.675 -7.150 1.00 0.15 C ATOM 1250 C ARG A 77 -2.873 2.057 -5.790 1.00 0.14 C ATOM 1251 O ARG A 77 -2.769 2.745 -4.776 1.00 0.16 O ATOM 1252 CB ARG A 77 -1.451 2.060 -7.827 1.00 0.16 C ATOM 1253 CG ARG A 77 -0.178 2.213 -7.036 1.00 0.17 C ATOM 1254 CD ARG A 77 0.950 2.598 -7.956 1.00 0.28 C ATOM 1255 NE ARG A 77 1.161 4.044 -7.995 1.00 0.55 N ATOM 1256 CZ ARG A 77 1.431 4.737 -9.106 1.00 0.65 C ATOM 1257 NH1 ARG A 77 1.493 4.126 -10.283 1.00 0.96 N ATOM 1258 NH2 ARG A 77 1.638 6.046 -9.040 1.00 1.08 N ATOM 0 H ARG A 77 -1.893 4.335 -6.183 1.00 0.15 H new ATOM 0 HA ARG A 77 -3.530 2.488 -7.785 1.00 0.15 H new ATOM 0 HB2 ARG A 77 -1.638 1.000 -7.997 1.00 0.16 H new ATOM 0 HB3 ARG A 77 -1.319 2.521 -8.806 1.00 0.16 H new ATOM 0 HG2 ARG A 77 -0.307 2.973 -6.265 1.00 0.17 H new ATOM 0 HG3 ARG A 77 0.059 1.279 -6.526 1.00 0.17 H new ATOM 0 HD2 ARG A 77 1.867 2.107 -7.629 1.00 0.28 H new ATOM 0 HD3 ARG A 77 0.736 2.236 -8.962 1.00 0.28 H new ATOM 0 HE ARG A 77 1.098 4.558 -7.116 1.00 0.55 H new ATOM 0 HH11 ARG A 77 1.334 3.120 -10.345 1.00 0.96 H new ATOM 0 HH12 ARG A 77 1.700 4.662 -11.126 1.00 0.96 H new ATOM 0 HH21 ARG A 77 1.591 6.525 -8.141 1.00 1.08 H new ATOM 0 HH22 ARG A 77 1.844 6.573 -9.889 1.00 1.08 H new ATOM 1272 N VAL A 78 -3.124 0.771 -5.746 1.00 0.14 N ATOM 1273 CA VAL A 78 -3.482 0.148 -4.491 1.00 0.15 C ATOM 1274 C VAL A 78 -2.888 -1.231 -4.361 1.00 0.16 C ATOM 1275 O VAL A 78 -2.586 -1.889 -5.340 1.00 0.31 O ATOM 1276 CB VAL A 78 -5.012 0.087 -4.317 1.00 0.30 C ATOM 1277 CG1 VAL A 78 -5.520 1.378 -3.701 1.00 0.79 C ATOM 1278 CG2 VAL A 78 -5.688 -0.140 -5.653 1.00 0.43 C ATOM 0 H VAL A 78 -3.089 0.143 -6.549 1.00 0.14 H new ATOM 0 HA VAL A 78 -3.066 0.769 -3.698 1.00 0.15 H new ATOM 0 HB VAL A 78 -5.250 -0.745 -3.654 1.00 0.30 H new ATOM 0 HG11 VAL A 78 -6.602 1.324 -3.583 1.00 0.79 H new ATOM 0 HG12 VAL A 78 -5.055 1.523 -2.726 1.00 0.79 H new ATOM 0 HG13 VAL A 78 -5.268 2.215 -4.352 1.00 0.79 H new ATOM 0 HG21 VAL A 78 -6.768 -0.181 -5.512 1.00 0.43 H new ATOM 0 HG22 VAL A 78 -5.441 0.678 -6.330 1.00 0.43 H new ATOM 0 HG23 VAL A 78 -5.342 -1.081 -6.080 1.00 0.43 H new ATOM 1288 N ILE A 79 -2.679 -1.632 -3.139 1.00 0.10 N ATOM 1289 CA ILE A 79 -2.221 -2.960 -2.835 1.00 0.09 C ATOM 1290 C ILE A 79 -3.209 -3.566 -1.870 1.00 0.09 C ATOM 1291 O ILE A 79 -2.974 -3.626 -0.664 1.00 0.11 O ATOM 1292 CB ILE A 79 -0.821 -2.939 -2.197 1.00 0.11 C ATOM 1293 CG1 ILE A 79 0.193 -2.302 -3.156 1.00 0.15 C ATOM 1294 CG2 ILE A 79 -0.384 -4.342 -1.789 1.00 0.15 C ATOM 1295 CD1 ILE A 79 1.589 -2.194 -2.589 1.00 0.60 C ATOM 0 H ILE A 79 -2.822 -1.043 -2.319 1.00 0.10 H new ATOM 0 HA ILE A 79 -2.151 -3.544 -3.753 1.00 0.09 H new ATOM 0 HB ILE A 79 -0.865 -2.332 -1.293 1.00 0.11 H new ATOM 0 HG12 ILE A 79 0.229 -2.889 -4.074 1.00 0.15 H new ATOM 0 HG13 ILE A 79 -0.156 -1.306 -3.428 1.00 0.15 H new ATOM 0 HG21 ILE A 79 0.609 -4.298 -1.341 1.00 0.15 H new ATOM 0 HG22 ILE A 79 -1.091 -4.747 -1.065 1.00 0.15 H new ATOM 0 HG23 ILE A 79 -0.357 -4.985 -2.669 1.00 0.15 H new ATOM 0 HD11 ILE A 79 2.247 -1.734 -3.326 1.00 0.60 H new ATOM 0 HD12 ILE A 79 1.569 -1.581 -1.688 1.00 0.60 H new ATOM 0 HD13 ILE A 79 1.960 -3.189 -2.343 1.00 0.60 H new ATOM 1307 N ILE A 80 -4.358 -3.914 -2.393 1.00 0.09 N ATOM 1308 CA ILE A 80 -5.446 -4.334 -1.525 1.00 0.10 C ATOM 1309 C ILE A 80 -5.121 -5.632 -0.797 1.00 0.12 C ATOM 1310 O ILE A 80 -4.545 -6.558 -1.364 1.00 0.14 O ATOM 1311 CB ILE A 80 -6.822 -4.428 -2.240 1.00 0.12 C ATOM 1312 CG1 ILE A 80 -6.933 -5.688 -3.118 1.00 0.13 C ATOM 1313 CG2 ILE A 80 -7.055 -3.171 -3.078 1.00 0.12 C ATOM 1314 CD1 ILE A 80 -5.986 -5.719 -4.301 1.00 0.13 C ATOM 0 H ILE A 80 -4.569 -3.918 -3.391 1.00 0.09 H new ATOM 0 HA ILE A 80 -5.543 -3.539 -0.786 1.00 0.10 H new ATOM 0 HB ILE A 80 -7.593 -4.503 -1.473 1.00 0.12 H new ATOM 0 HG12 ILE A 80 -6.747 -6.565 -2.497 1.00 0.13 H new ATOM 0 HG13 ILE A 80 -7.956 -5.769 -3.486 1.00 0.13 H new ATOM 0 HG21 ILE A 80 -8.021 -3.241 -3.578 1.00 0.12 H new ATOM 0 HG22 ILE A 80 -7.044 -2.295 -2.430 1.00 0.12 H new ATOM 0 HG23 ILE A 80 -6.266 -3.080 -3.825 1.00 0.12 H new ATOM 0 HD11 ILE A 80 -6.134 -6.642 -4.862 1.00 0.13 H new ATOM 0 HD12 ILE A 80 -6.185 -4.865 -4.948 1.00 0.13 H new ATOM 0 HD13 ILE A 80 -4.957 -5.673 -3.945 1.00 0.13 H new ATOM 1326 N MET A 81 -5.479 -5.666 0.475 1.00 0.15 N ATOM 1327 CA MET A 81 -5.129 -6.781 1.347 1.00 0.21 C ATOM 1328 C MET A 81 -6.258 -7.796 1.384 1.00 0.20 C ATOM 1329 O MET A 81 -7.373 -7.492 1.787 1.00 0.36 O ATOM 1330 CB MET A 81 -4.791 -6.298 2.754 1.00 0.31 C ATOM 1331 CG MET A 81 -3.852 -5.096 2.774 1.00 0.43 C ATOM 1332 SD MET A 81 -2.697 -5.111 4.164 1.00 0.80 S ATOM 1333 CE MET A 81 -3.815 -5.184 5.561 1.00 1.88 C ATOM 0 H MET A 81 -6.016 -4.929 0.932 1.00 0.15 H new ATOM 0 HA MET A 81 -4.240 -7.263 0.940 1.00 0.21 H new ATOM 0 HB2 MET A 81 -5.714 -6.037 3.272 1.00 0.31 H new ATOM 0 HB3 MET A 81 -4.334 -7.116 3.311 1.00 0.31 H new ATOM 0 HG2 MET A 81 -3.287 -5.070 1.842 1.00 0.43 H new ATOM 0 HG3 MET A 81 -4.445 -4.182 2.813 1.00 0.43 H new ATOM 0 HE1 MET A 81 -3.242 -5.306 6.480 1.00 1.88 H new ATOM 0 HE2 MET A 81 -4.392 -4.261 5.614 1.00 1.88 H new ATOM 0 HE3 MET A 81 -4.493 -6.029 5.441 1.00 1.88 H new ATOM 1343 N THR A 82 -5.961 -8.995 0.933 1.00 0.25 N ATOM 1344 CA THR A 82 -6.968 -10.013 0.718 1.00 0.30 C ATOM 1345 C THR A 82 -6.641 -11.306 1.447 1.00 0.31 C ATOM 1346 O THR A 82 -5.485 -11.574 1.783 1.00 0.35 O ATOM 1347 CB THR A 82 -7.065 -10.311 -0.780 1.00 0.47 C ATOM 1348 OG1 THR A 82 -5.966 -11.138 -1.192 1.00 1.13 O ATOM 1349 CG2 THR A 82 -7.024 -9.014 -1.564 1.00 0.91 C ATOM 0 H THR A 82 -5.013 -9.293 0.704 1.00 0.25 H new ATOM 0 HA THR A 82 -7.912 -9.632 1.109 1.00 0.30 H new ATOM 0 HB THR A 82 -8.004 -10.831 -0.972 1.00 0.47 H new ATOM 0 HG1 THR A 82 -5.140 -10.817 -0.773 1.00 1.13 H new ATOM 0 HG21 THR A 82 -7.093 -9.231 -2.630 1.00 0.91 H new ATOM 0 HG22 THR A 82 -7.861 -8.383 -1.267 1.00 0.91 H new ATOM 0 HG23 THR A 82 -6.088 -8.495 -1.360 1.00 0.91 H new ATOM 1357 N ALA A 83 -7.668 -12.098 1.698 1.00 0.33 N ATOM 1358 CA ALA A 83 -7.478 -13.471 2.138 1.00 0.40 C ATOM 1359 C ALA A 83 -7.012 -14.347 0.971 1.00 0.45 C ATOM 1360 O ALA A 83 -7.697 -15.293 0.583 1.00 0.54 O ATOM 1361 CB ALA A 83 -8.766 -14.017 2.726 1.00 0.47 C ATOM 0 H ALA A 83 -8.643 -11.815 1.605 1.00 0.33 H new ATOM 0 HA ALA A 83 -6.708 -13.485 2.910 1.00 0.40 H new ATOM 0 HB1 ALA A 83 -8.610 -15.046 3.051 1.00 0.47 H new ATOM 0 HB2 ALA A 83 -9.063 -13.408 3.579 1.00 0.47 H new ATOM 0 HB3 ALA A 83 -9.551 -13.991 1.970 1.00 0.47 H new ATOM 1367 N TYR A 84 -5.854 -14.000 0.407 1.00 0.45 N ATOM 1368 CA TYR A 84 -5.257 -14.744 -0.699 1.00 0.55 C ATOM 1369 C TYR A 84 -6.179 -14.765 -1.928 1.00 0.56 C ATOM 1370 O TYR A 84 -6.514 -15.824 -2.459 1.00 0.77 O ATOM 1371 CB TYR A 84 -4.894 -16.168 -0.237 1.00 0.69 C ATOM 1372 CG TYR A 84 -4.149 -17.005 -1.259 1.00 1.26 C ATOM 1373 CD1 TYR A 84 -2.869 -16.661 -1.674 1.00 1.92 C ATOM 1374 CD2 TYR A 84 -4.729 -18.148 -1.800 1.00 2.03 C ATOM 1375 CE1 TYR A 84 -2.191 -17.429 -2.602 1.00 2.83 C ATOM 1376 CE2 TYR A 84 -4.057 -18.920 -2.726 1.00 2.97 C ATOM 1377 CZ TYR A 84 -2.790 -18.558 -3.125 1.00 3.26 C ATOM 1378 OH TYR A 84 -2.119 -19.326 -4.048 1.00 4.30 O ATOM 0 H TYR A 84 -5.305 -13.194 0.706 1.00 0.45 H new ATOM 0 HA TYR A 84 -4.342 -14.237 -1.004 1.00 0.55 H new ATOM 0 HB2 TYR A 84 -4.286 -16.097 0.665 1.00 0.69 H new ATOM 0 HB3 TYR A 84 -5.811 -16.689 0.038 1.00 0.69 H new ATOM 0 HD1 TYR A 84 -2.396 -15.780 -1.265 1.00 1.92 H new ATOM 0 HD2 TYR A 84 -5.723 -18.436 -1.490 1.00 2.03 H new ATOM 0 HE1 TYR A 84 -1.197 -17.147 -2.917 1.00 2.83 H new ATOM 0 HE2 TYR A 84 -4.523 -19.804 -3.136 1.00 2.97 H new ATOM 0 HH TYR A 84 -2.681 -20.084 -4.313 1.00 4.30 H new ATOM 1388 N GLY A 85 -6.580 -13.577 -2.374 1.00 0.52 N ATOM 1389 CA GLY A 85 -7.366 -13.445 -3.592 1.00 0.56 C ATOM 1390 C GLY A 85 -8.705 -14.158 -3.528 1.00 0.55 C ATOM 1391 O GLY A 85 -8.835 -15.303 -3.955 1.00 0.62 O ATOM 0 H GLY A 85 -6.372 -12.694 -1.908 1.00 0.52 H new ATOM 0 HA2 GLY A 85 -7.536 -12.387 -3.793 1.00 0.56 H new ATOM 0 HA3 GLY A 85 -6.792 -13.841 -4.430 1.00 0.56 H new ATOM 1395 N GLU A 86 -9.701 -13.453 -3.019 1.00 0.55 N ATOM 1396 CA GLU A 86 -11.049 -13.990 -2.849 1.00 0.62 C ATOM 1397 C GLU A 86 -11.897 -13.805 -4.121 1.00 0.68 C ATOM 1398 O GLU A 86 -13.122 -13.926 -4.092 1.00 1.05 O ATOM 1399 CB GLU A 86 -11.676 -13.294 -1.639 1.00 0.72 C ATOM 1400 CG GLU A 86 -10.713 -13.241 -0.458 1.00 0.74 C ATOM 1401 CD GLU A 86 -11.260 -12.521 0.755 1.00 1.04 C ATOM 1402 OE1 GLU A 86 -12.180 -13.064 1.403 1.00 1.33 O ATOM 1403 OE2 GLU A 86 -10.798 -11.401 1.048 1.00 1.17 O ATOM 0 H GLU A 86 -9.601 -12.486 -2.709 1.00 0.55 H new ATOM 0 HA GLU A 86 -11.006 -15.065 -2.676 1.00 0.62 H new ATOM 0 HB2 GLU A 86 -11.971 -12.281 -1.914 1.00 0.72 H new ATOM 0 HB3 GLU A 86 -12.583 -13.822 -1.345 1.00 0.72 H new ATOM 0 HG2 GLU A 86 -10.448 -14.259 -0.174 1.00 0.74 H new ATOM 0 HG3 GLU A 86 -9.793 -12.749 -0.775 1.00 0.74 H new ATOM 1410 N LEU A 87 -11.210 -13.520 -5.234 1.00 0.71 N ATOM 1411 CA LEU A 87 -11.812 -13.402 -6.574 1.00 0.73 C ATOM 1412 C LEU A 87 -12.824 -12.257 -6.727 1.00 0.74 C ATOM 1413 O LEU A 87 -13.072 -11.484 -5.800 1.00 0.72 O ATOM 1414 CB LEU A 87 -12.448 -14.726 -7.010 1.00 0.85 C ATOM 1415 CG LEU A 87 -11.534 -15.638 -7.836 1.00 1.14 C ATOM 1416 CD1 LEU A 87 -11.067 -14.918 -9.096 1.00 1.48 C ATOM 1417 CD2 LEU A 87 -10.343 -16.105 -7.012 1.00 1.73 C ATOM 0 H LEU A 87 -10.202 -13.362 -5.232 1.00 0.71 H new ATOM 0 HA LEU A 87 -10.979 -13.153 -7.231 1.00 0.73 H new ATOM 0 HB2 LEU A 87 -12.771 -15.268 -6.121 1.00 0.85 H new ATOM 0 HB3 LEU A 87 -13.343 -14.508 -7.593 1.00 0.85 H new ATOM 0 HG LEU A 87 -12.105 -16.519 -8.130 1.00 1.14 H new ATOM 0 HD11 LEU A 87 -10.419 -15.578 -9.673 1.00 1.48 H new ATOM 0 HD12 LEU A 87 -11.932 -14.641 -9.699 1.00 1.48 H new ATOM 0 HD13 LEU A 87 -10.516 -14.019 -8.819 1.00 1.48 H new ATOM 0 HD21 LEU A 87 -9.710 -16.751 -7.621 1.00 1.73 H new ATOM 0 HD22 LEU A 87 -9.768 -15.240 -6.681 1.00 1.73 H new ATOM 0 HD23 LEU A 87 -10.697 -16.659 -6.143 1.00 1.73 H new ATOM 1429 N ASP A 88 -13.354 -12.151 -7.952 1.00 0.80 N ATOM 1430 CA ASP A 88 -14.338 -11.132 -8.351 1.00 0.85 C ATOM 1431 C ASP A 88 -13.770 -9.716 -8.220 1.00 0.74 C ATOM 1432 O ASP A 88 -13.110 -9.227 -9.136 1.00 0.67 O ATOM 1433 CB ASP A 88 -15.648 -11.277 -7.569 1.00 1.01 C ATOM 1434 CG ASP A 88 -16.851 -10.894 -8.410 1.00 1.03 C ATOM 1435 OD1 ASP A 88 -17.098 -11.539 -9.450 1.00 1.38 O ATOM 1436 OD2 ASP A 88 -17.566 -9.944 -8.021 1.00 1.38 O ATOM 0 H ASP A 88 -13.106 -12.785 -8.712 1.00 0.80 H new ATOM 0 HA ASP A 88 -14.563 -11.299 -9.404 1.00 0.85 H new ATOM 0 HB2 ASP A 88 -15.756 -12.307 -7.228 1.00 1.01 H new ATOM 0 HB3 ASP A 88 -15.612 -10.649 -6.679 1.00 1.01 H new ATOM 1441 N MET A 89 -13.991 -9.068 -7.079 1.00 0.76 N ATOM 1442 CA MET A 89 -13.387 -7.766 -6.802 1.00 0.73 C ATOM 1443 C MET A 89 -11.869 -7.885 -6.725 1.00 0.57 C ATOM 1444 O MET A 89 -11.157 -6.893 -6.750 1.00 0.53 O ATOM 1445 CB MET A 89 -13.925 -7.169 -5.496 1.00 0.87 C ATOM 1446 CG MET A 89 -15.278 -6.486 -5.633 1.00 1.58 C ATOM 1447 SD MET A 89 -16.609 -7.633 -6.032 1.00 1.63 S ATOM 1448 CE MET A 89 -17.982 -6.495 -6.207 1.00 2.72 C ATOM 0 H MET A 89 -14.585 -9.423 -6.330 1.00 0.76 H new ATOM 0 HA MET A 89 -13.654 -7.099 -7.622 1.00 0.73 H new ATOM 0 HB2 MET A 89 -14.005 -7.962 -4.753 1.00 0.87 H new ATOM 0 HB3 MET A 89 -13.203 -6.447 -5.115 1.00 0.87 H new ATOM 0 HG2 MET A 89 -15.516 -5.973 -4.701 1.00 1.58 H new ATOM 0 HG3 MET A 89 -15.217 -5.724 -6.410 1.00 1.58 H new ATOM 0 HE1 MET A 89 -18.886 -7.051 -6.455 1.00 2.72 H new ATOM 0 HE2 MET A 89 -18.132 -5.959 -5.270 1.00 2.72 H new ATOM 0 HE3 MET A 89 -17.765 -5.782 -7.002 1.00 2.72 H new ATOM 1458 N ILE A 90 -11.385 -9.110 -6.618 1.00 0.53 N ATOM 1459 CA ILE A 90 -9.956 -9.385 -6.636 1.00 0.45 C ATOM 1460 C ILE A 90 -9.414 -9.319 -8.062 1.00 0.42 C ATOM 1461 O ILE A 90 -8.224 -9.106 -8.285 1.00 0.51 O ATOM 1462 CB ILE A 90 -9.689 -10.766 -6.031 1.00 0.48 C ATOM 1463 CG1 ILE A 90 -10.134 -10.775 -4.569 1.00 0.58 C ATOM 1464 CG2 ILE A 90 -8.223 -11.167 -6.157 1.00 0.49 C ATOM 1465 CD1 ILE A 90 -9.344 -9.845 -3.688 1.00 0.67 C ATOM 0 H ILE A 90 -11.968 -9.941 -6.516 1.00 0.53 H new ATOM 0 HA ILE A 90 -9.445 -8.628 -6.041 1.00 0.45 H new ATOM 0 HB ILE A 90 -10.266 -11.503 -6.589 1.00 0.48 H new ATOM 0 HG12 ILE A 90 -11.188 -10.501 -4.518 1.00 0.58 H new ATOM 0 HG13 ILE A 90 -10.049 -11.789 -4.179 1.00 0.58 H new ATOM 0 HG21 ILE A 90 -8.076 -12.153 -5.716 1.00 0.49 H new ATOM 0 HG22 ILE A 90 -7.943 -11.196 -7.210 1.00 0.49 H new ATOM 0 HG23 ILE A 90 -7.601 -10.440 -5.636 1.00 0.49 H new ATOM 0 HD11 ILE A 90 -9.718 -9.907 -2.666 1.00 0.67 H new ATOM 0 HD12 ILE A 90 -8.292 -10.131 -3.708 1.00 0.67 H new ATOM 0 HD13 ILE A 90 -9.449 -8.823 -4.052 1.00 0.67 H new ATOM 1477 N GLN A 91 -10.297 -9.489 -9.023 1.00 0.48 N ATOM 1478 CA GLN A 91 -9.947 -9.268 -10.412 1.00 0.52 C ATOM 1479 C GLN A 91 -10.021 -7.770 -10.678 1.00 0.44 C ATOM 1480 O GLN A 91 -9.101 -7.155 -11.220 1.00 0.40 O ATOM 1481 CB GLN A 91 -10.919 -10.015 -11.328 1.00 0.67 C ATOM 1482 CG GLN A 91 -11.083 -11.485 -10.973 1.00 0.79 C ATOM 1483 CD GLN A 91 -12.330 -12.098 -11.589 1.00 1.78 C ATOM 1484 OE1 GLN A 91 -12.949 -12.989 -11.007 1.00 2.50 O ATOM 1485 NE2 GLN A 91 -12.701 -11.634 -12.772 1.00 2.49 N ATOM 0 H GLN A 91 -11.263 -9.779 -8.869 1.00 0.48 H new ATOM 0 HA GLN A 91 -8.942 -9.640 -10.613 1.00 0.52 H new ATOM 0 HB2 GLN A 91 -11.893 -9.528 -11.284 1.00 0.67 H new ATOM 0 HB3 GLN A 91 -10.569 -9.935 -12.357 1.00 0.67 H new ATOM 0 HG2 GLN A 91 -10.206 -12.037 -11.311 1.00 0.79 H new ATOM 0 HG3 GLN A 91 -11.128 -11.591 -9.889 1.00 0.79 H new ATOM 0 HE21 GLN A 91 -12.161 -10.895 -13.222 1.00 2.49 H new ATOM 0 HE22 GLN A 91 -13.527 -12.016 -13.234 1.00 2.49 H new ATOM 1494 N GLU A 92 -11.124 -7.196 -10.218 1.00 0.47 N ATOM 1495 CA GLU A 92 -11.423 -5.788 -10.403 1.00 0.46 C ATOM 1496 C GLU A 92 -10.439 -4.876 -9.672 1.00 0.37 C ATOM 1497 O GLU A 92 -10.131 -3.788 -10.145 1.00 0.37 O ATOM 1498 CB GLU A 92 -12.840 -5.521 -9.926 1.00 0.58 C ATOM 1499 CG GLU A 92 -13.159 -4.048 -9.778 1.00 0.65 C ATOM 1500 CD GLU A 92 -14.634 -3.753 -9.599 1.00 0.83 C ATOM 1501 OE1 GLU A 92 -15.439 -4.267 -10.404 1.00 0.94 O ATOM 1502 OE2 GLU A 92 -14.985 -2.982 -8.671 1.00 1.27 O ATOM 0 H GLU A 92 -11.842 -7.703 -9.701 1.00 0.47 H new ATOM 0 HA GLU A 92 -11.327 -5.560 -11.465 1.00 0.46 H new ATOM 0 HB2 GLU A 92 -13.542 -5.968 -10.630 1.00 0.58 H new ATOM 0 HB3 GLU A 92 -12.991 -6.016 -8.967 1.00 0.58 H new ATOM 0 HG2 GLU A 92 -12.613 -3.653 -8.921 1.00 0.65 H new ATOM 0 HG3 GLU A 92 -12.797 -3.518 -10.659 1.00 0.65 H new ATOM 1509 N SER A 93 -9.953 -5.318 -8.528 1.00 0.34 N ATOM 1510 CA SER A 93 -9.019 -4.552 -7.739 1.00 0.34 C ATOM 1511 C SER A 93 -7.828 -4.102 -8.564 1.00 0.33 C ATOM 1512 O SER A 93 -7.681 -2.927 -8.917 1.00 0.32 O ATOM 1513 CB SER A 93 -8.528 -5.439 -6.617 1.00 0.43 C ATOM 1514 OG SER A 93 -8.196 -6.724 -7.090 1.00 1.28 O ATOM 0 H SER A 93 -10.198 -6.221 -8.122 1.00 0.34 H new ATOM 0 HA SER A 93 -9.521 -3.661 -7.361 1.00 0.34 H new ATOM 0 HB2 SER A 93 -7.656 -4.985 -6.147 1.00 0.43 H new ATOM 0 HB3 SER A 93 -9.298 -5.519 -5.850 1.00 0.43 H new ATOM 0 HG SER A 93 -7.734 -7.223 -6.384 1.00 1.28 H new ATOM 1520 N LYS A 94 -6.972 -5.062 -8.825 1.00 0.33 N ATOM 1521 CA LYS A 94 -5.810 -4.866 -9.663 1.00 0.34 C ATOM 1522 C LYS A 94 -6.181 -4.282 -11.032 1.00 0.32 C ATOM 1523 O LYS A 94 -5.429 -3.477 -11.582 1.00 0.33 O ATOM 1524 CB LYS A 94 -5.065 -6.181 -9.833 1.00 0.36 C ATOM 1525 CG LYS A 94 -5.954 -7.333 -10.254 1.00 0.37 C ATOM 1526 CD LYS A 94 -5.146 -8.603 -10.432 1.00 0.43 C ATOM 1527 CE LYS A 94 -6.014 -9.791 -10.785 1.00 1.37 C ATOM 1528 NZ LYS A 94 -5.218 -11.043 -10.885 1.00 1.91 N ATOM 0 H LYS A 94 -7.062 -6.010 -8.459 1.00 0.33 H new ATOM 0 HA LYS A 94 -5.162 -4.143 -9.167 1.00 0.34 H new ATOM 0 HB2 LYS A 94 -4.279 -6.050 -10.576 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -4.576 -6.436 -8.893 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -6.729 -7.492 -9.504 1.00 0.37 H new ATOM 0 HG3 LYS A 94 -6.460 -7.085 -11.187 1.00 0.37 H new ATOM 0 HD2 LYS A 94 -4.404 -8.452 -11.216 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.600 -8.815 -9.513 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -6.790 -9.912 -10.029 1.00 1.37 H new ATOM 0 HE3 LYS A 94 -6.519 -9.604 -11.733 1.00 1.37 H new ATOM 0 HZ1 LYS A 94 -5.846 -11.835 -11.128 1.00 1.91 H new ATOM 0 HZ2 LYS A 94 -4.494 -10.936 -11.624 1.00 1.91 H new ATOM 0 HZ3 LYS A 94 -4.756 -11.235 -9.973 1.00 1.91 H new ATOM 1542 N GLU A 95 -7.334 -4.684 -11.584 1.00 0.33 N ATOM 1543 CA GLU A 95 -7.766 -4.166 -12.884 1.00 0.35 C ATOM 1544 C GLU A 95 -7.983 -2.652 -12.831 1.00 0.31 C ATOM 1545 O GLU A 95 -7.717 -1.945 -13.806 1.00 0.37 O ATOM 1546 CB GLU A 95 -9.042 -4.867 -13.382 1.00 0.49 C ATOM 1547 CG GLU A 95 -10.321 -4.080 -13.150 1.00 0.56 C ATOM 1548 CD GLU A 95 -11.467 -4.558 -14.008 1.00 1.32 C ATOM 1549 OE1 GLU A 95 -11.449 -4.289 -15.229 1.00 1.72 O ATOM 1550 OE2 GLU A 95 -12.397 -5.190 -13.475 1.00 1.84 O ATOM 0 H GLU A 95 -7.973 -5.355 -11.157 1.00 0.33 H new ATOM 0 HA GLU A 95 -6.966 -4.379 -13.593 1.00 0.35 H new ATOM 0 HB2 GLU A 95 -8.940 -5.065 -14.449 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -9.129 -5.833 -12.885 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -10.603 -4.156 -12.100 1.00 0.56 H new ATOM 0 HG3 GLU A 95 -10.135 -3.026 -13.355 1.00 0.56 H new ATOM 1557 N LEU A 96 -8.450 -2.159 -11.689 1.00 0.28 N ATOM 1558 CA LEU A 96 -8.753 -0.747 -11.535 1.00 0.28 C ATOM 1559 C LEU A 96 -7.497 0.050 -11.245 1.00 0.28 C ATOM 1560 O LEU A 96 -7.433 1.250 -11.515 1.00 0.47 O ATOM 1561 CB LEU A 96 -9.767 -0.539 -10.414 1.00 0.34 C ATOM 1562 CG LEU A 96 -11.207 -0.930 -10.746 1.00 0.55 C ATOM 1563 CD1 LEU A 96 -12.104 -0.686 -9.546 1.00 1.16 C ATOM 1564 CD2 LEU A 96 -11.708 -0.151 -11.952 1.00 1.25 C ATOM 0 H LEU A 96 -8.626 -2.721 -10.856 1.00 0.28 H new ATOM 0 HA LEU A 96 -9.180 -0.392 -12.473 1.00 0.28 H new ATOM 0 HB2 LEU A 96 -9.445 -1.113 -9.545 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -9.752 0.512 -10.125 1.00 0.34 H new ATOM 0 HG LEU A 96 -11.232 -1.992 -10.991 1.00 0.55 H new ATOM 0 HD11 LEU A 96 -13.127 -0.968 -9.793 1.00 1.16 H new ATOM 0 HD12 LEU A 96 -11.756 -1.285 -8.704 1.00 1.16 H new ATOM 0 HD13 LEU A 96 -12.073 0.370 -9.278 1.00 1.16 H new ATOM 0 HD21 LEU A 96 -12.735 -0.443 -12.173 1.00 1.25 H new ATOM 0 HD22 LEU A 96 -11.673 0.917 -11.736 1.00 1.25 H new ATOM 0 HD23 LEU A 96 -11.076 -0.368 -12.813 1.00 1.25 H new ATOM 1576 N GLY A 97 -6.495 -0.611 -10.691 1.00 0.20 N ATOM 1577 CA GLY A 97 -5.263 0.074 -10.388 1.00 0.21 C ATOM 1578 C GLY A 97 -4.487 -0.546 -9.246 1.00 0.20 C ATOM 1579 O GLY A 97 -3.409 -0.065 -8.904 1.00 0.35 O ATOM 0 H GLY A 97 -6.513 -1.601 -10.448 1.00 0.20 H new ATOM 0 HA2 GLY A 97 -4.635 0.085 -11.279 1.00 0.21 H new ATOM 0 HA3 GLY A 97 -5.486 1.112 -10.143 1.00 0.21 H new ATOM 1583 N ALA A 98 -5.016 -1.599 -8.633 1.00 0.15 N ATOM 1584 CA ALA A 98 -4.267 -2.291 -7.596 1.00 0.13 C ATOM 1585 C ALA A 98 -3.106 -3.046 -8.223 1.00 0.14 C ATOM 1586 O ALA A 98 -3.260 -3.713 -9.240 1.00 0.21 O ATOM 1587 CB ALA A 98 -5.156 -3.219 -6.763 1.00 0.17 C ATOM 0 H ALA A 98 -5.940 -1.984 -8.831 1.00 0.15 H new ATOM 0 HA ALA A 98 -3.873 -1.546 -6.905 1.00 0.13 H new ATOM 0 HB1 ALA A 98 -4.553 -3.714 -6.002 1.00 0.17 H new ATOM 0 HB2 ALA A 98 -5.941 -2.636 -6.282 1.00 0.17 H new ATOM 0 HB3 ALA A 98 -5.608 -3.969 -7.412 1.00 0.17 H new ATOM 1593 N LEU A 99 -1.934 -2.893 -7.649 1.00 0.15 N ATOM 1594 CA LEU A 99 -0.762 -3.567 -8.150 1.00 0.16 C ATOM 1595 C LEU A 99 -0.817 -5.017 -7.763 1.00 0.15 C ATOM 1596 O LEU A 99 -0.618 -5.920 -8.579 1.00 0.17 O ATOM 1597 CB LEU A 99 0.488 -2.979 -7.533 1.00 0.18 C ATOM 1598 CG LEU A 99 0.502 -1.467 -7.442 1.00 0.17 C ATOM 1599 CD1 LEU A 99 1.652 -1.005 -6.567 1.00 0.17 C ATOM 1600 CD2 LEU A 99 0.600 -0.854 -8.828 1.00 0.18 C ATOM 0 H LEU A 99 -1.769 -2.305 -6.832 1.00 0.15 H new ATOM 0 HA LEU A 99 -0.737 -3.450 -9.233 1.00 0.16 H new ATOM 0 HB2 LEU A 99 0.609 -3.390 -6.531 1.00 0.18 H new ATOM 0 HB3 LEU A 99 1.350 -3.302 -8.116 1.00 0.18 H new ATOM 0 HG LEU A 99 -0.431 -1.134 -6.988 1.00 0.17 H new ATOM 0 HD11 LEU A 99 1.651 0.083 -6.510 1.00 0.17 H new ATOM 0 HD12 LEU A 99 1.538 -1.421 -5.566 1.00 0.17 H new ATOM 0 HD13 LEU A 99 2.595 -1.345 -6.996 1.00 0.17 H new ATOM 0 HD21 LEU A 99 0.609 0.233 -8.745 1.00 0.18 H new ATOM 0 HD22 LEU A 99 1.519 -1.189 -9.310 1.00 0.18 H new ATOM 0 HD23 LEU A 99 -0.257 -1.165 -9.425 1.00 0.18 H new ATOM 1612 N THR A 100 -1.104 -5.220 -6.492 1.00 0.14 N ATOM 1613 CA THR A 100 -1.049 -6.530 -5.907 1.00 0.14 C ATOM 1614 C THR A 100 -2.175 -6.754 -4.910 1.00 0.15 C ATOM 1615 O THR A 100 -2.726 -5.809 -4.341 1.00 0.13 O ATOM 1616 CB THR A 100 0.285 -6.736 -5.172 1.00 0.16 C ATOM 1617 OG1 THR A 100 0.427 -5.723 -4.175 1.00 0.19 O ATOM 1618 CG2 THR A 100 1.466 -6.669 -6.129 1.00 0.16 C ATOM 0 H THR A 100 -1.380 -4.481 -5.845 1.00 0.14 H new ATOM 0 HA THR A 100 -1.150 -7.242 -6.726 1.00 0.14 H new ATOM 0 HB THR A 100 0.276 -7.726 -4.716 1.00 0.16 H new ATOM 0 HG1 THR A 100 1.081 -6.013 -3.505 1.00 0.19 H new ATOM 0 HG21 THR A 100 2.392 -6.819 -5.575 1.00 0.16 H new ATOM 0 HG22 THR A 100 1.366 -7.447 -6.886 1.00 0.16 H new ATOM 0 HG23 THR A 100 1.487 -5.693 -6.613 1.00 0.16 H new ATOM 1626 N ALA A 101 -2.479 -8.023 -4.708 1.00 0.26 N ATOM 1627 CA ALA A 101 -3.394 -8.446 -3.677 1.00 0.27 C ATOM 1628 C ALA A 101 -2.611 -9.051 -2.521 1.00 0.36 C ATOM 1629 O ALA A 101 -2.179 -10.204 -2.580 1.00 0.52 O ATOM 1630 CB ALA A 101 -4.400 -9.446 -4.225 1.00 0.36 C ATOM 0 H ALA A 101 -2.093 -8.789 -5.260 1.00 0.26 H new ATOM 0 HA ALA A 101 -3.949 -7.579 -3.318 1.00 0.27 H new ATOM 0 HB1 ALA A 101 -5.080 -9.751 -3.430 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -4.969 -8.984 -5.032 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -3.873 -10.320 -4.607 1.00 0.36 H new ATOM 1636 N PHE A 102 -2.395 -8.244 -1.498 1.00 0.41 N ATOM 1637 CA PHE A 102 -1.729 -8.681 -0.280 1.00 0.58 C ATOM 1638 C PHE A 102 -2.476 -9.873 0.307 1.00 0.39 C ATOM 1639 O PHE A 102 -3.695 -9.949 0.204 1.00 0.46 O ATOM 1640 CB PHE A 102 -1.708 -7.505 0.713 1.00 0.92 C ATOM 1641 CG PHE A 102 -1.223 -7.827 2.107 1.00 1.68 C ATOM 1642 CD1 PHE A 102 -2.082 -8.369 3.053 1.00 2.38 C ATOM 1643 CD2 PHE A 102 0.084 -7.561 2.477 1.00 2.35 C ATOM 1644 CE1 PHE A 102 -1.645 -8.644 4.335 1.00 3.38 C ATOM 1645 CE2 PHE A 102 0.526 -7.832 3.759 1.00 3.44 C ATOM 1646 CZ PHE A 102 -0.340 -8.374 4.687 1.00 3.86 C ATOM 0 H PHE A 102 -2.677 -7.264 -1.487 1.00 0.41 H new ATOM 0 HA PHE A 102 -0.705 -8.990 -0.492 1.00 0.58 H new ATOM 0 HB2 PHE A 102 -1.075 -6.719 0.302 1.00 0.92 H new ATOM 0 HB3 PHE A 102 -2.716 -7.098 0.785 1.00 0.92 H new ATOM 0 HD1 PHE A 102 -3.107 -8.579 2.783 1.00 2.38 H new ATOM 0 HD2 PHE A 102 0.767 -7.137 1.756 1.00 2.35 H new ATOM 0 HE1 PHE A 102 -2.324 -9.069 5.059 1.00 3.38 H new ATOM 0 HE2 PHE A 102 1.549 -7.620 4.034 1.00 3.44 H new ATOM 0 HZ PHE A 102 0.005 -8.586 5.688 1.00 3.86 H new ATOM 1656 N ALA A 103 -1.758 -10.821 0.869 1.00 0.40 N ATOM 1657 CA ALA A 103 -2.386 -11.902 1.588 1.00 0.44 C ATOM 1658 C ALA A 103 -1.732 -12.064 2.940 1.00 0.65 C ATOM 1659 O ALA A 103 -0.670 -11.496 3.190 1.00 0.76 O ATOM 1660 CB ALA A 103 -2.294 -13.182 0.792 1.00 0.57 C ATOM 0 H ALA A 103 -0.739 -10.863 0.841 1.00 0.40 H new ATOM 0 HA ALA A 103 -3.440 -11.669 1.736 1.00 0.44 H new ATOM 0 HB1 ALA A 103 -2.772 -13.990 1.346 1.00 0.57 H new ATOM 0 HB2 ALA A 103 -2.797 -13.052 -0.166 1.00 0.57 H new ATOM 0 HB3 ALA A 103 -1.246 -13.429 0.621 1.00 0.57 H new ATOM 1666 N LYS A 104 -2.364 -12.838 3.805 1.00 0.84 N ATOM 1667 CA LYS A 104 -1.854 -13.040 5.153 1.00 1.12 C ATOM 1668 C LYS A 104 -0.547 -13.841 5.142 1.00 1.08 C ATOM 1669 O LYS A 104 0.366 -13.530 5.904 1.00 1.13 O ATOM 1670 CB LYS A 104 -2.911 -13.696 6.044 1.00 1.55 C ATOM 1671 CG LYS A 104 -4.182 -12.867 6.158 1.00 1.83 C ATOM 1672 CD LYS A 104 -5.173 -13.466 7.142 1.00 2.48 C ATOM 1673 CE LYS A 104 -4.652 -13.431 8.570 1.00 2.95 C ATOM 1674 NZ LYS A 104 -5.671 -13.911 9.539 1.00 3.35 N ATOM 0 H LYS A 104 -3.230 -13.337 3.600 1.00 0.84 H new ATOM 0 HA LYS A 104 -1.627 -12.061 5.576 1.00 1.12 H new ATOM 0 HB2 LYS A 104 -3.158 -14.679 5.643 1.00 1.55 H new ATOM 0 HB3 LYS A 104 -2.494 -13.853 7.039 1.00 1.55 H new ATOM 0 HG2 LYS A 104 -3.927 -11.855 6.473 1.00 1.83 H new ATOM 0 HG3 LYS A 104 -4.650 -12.787 5.177 1.00 1.83 H new ATOM 0 HD2 LYS A 104 -6.114 -12.919 7.086 1.00 2.48 H new ATOM 0 HD3 LYS A 104 -5.386 -14.497 6.859 1.00 2.48 H new ATOM 0 HE2 LYS A 104 -3.758 -14.049 8.646 1.00 2.95 H new ATOM 0 HE3 LYS A 104 -4.358 -12.413 8.825 1.00 2.95 H new ATOM 0 HZ1 LYS A 104 -5.280 -13.873 10.502 1.00 3.35 H new ATOM 0 HZ2 LYS A 104 -6.515 -13.306 9.484 1.00 3.35 H new ATOM 0 HZ3 LYS A 104 -5.933 -14.891 9.310 1.00 3.35 H new ATOM 1688 N PRO A 105 -0.413 -14.890 4.309 1.00 1.09 N ATOM 1689 CA PRO A 105 0.894 -15.480 4.074 1.00 1.13 C ATOM 1690 C PRO A 105 1.715 -14.608 3.130 1.00 0.95 C ATOM 1691 O PRO A 105 1.565 -14.677 1.907 1.00 0.91 O ATOM 1692 CB PRO A 105 0.574 -16.832 3.439 1.00 1.28 C ATOM 1693 CG PRO A 105 -0.750 -16.641 2.780 1.00 1.36 C ATOM 1694 CD PRO A 105 -1.486 -15.610 3.593 1.00 1.17 C ATOM 0 HA PRO A 105 1.488 -15.577 4.983 1.00 1.13 H new ATOM 0 HB2 PRO A 105 1.337 -17.120 2.716 1.00 1.28 H new ATOM 0 HB3 PRO A 105 0.532 -17.621 4.190 1.00 1.28 H new ATOM 0 HG2 PRO A 105 -0.626 -16.307 1.750 1.00 1.36 H new ATOM 0 HG3 PRO A 105 -1.306 -17.578 2.747 1.00 1.36 H new ATOM 0 HD2 PRO A 105 -2.063 -14.938 2.958 1.00 1.17 H new ATOM 0 HD3 PRO A 105 -2.187 -16.074 4.286 1.00 1.17 H new ATOM 1702 N PHE A 106 2.563 -13.767 3.704 1.00 0.92 N ATOM 1703 CA PHE A 106 3.361 -12.835 2.915 1.00 0.81 C ATOM 1704 C PHE A 106 4.836 -12.913 3.279 1.00 0.81 C ATOM 1705 O PHE A 106 5.196 -13.087 4.440 1.00 0.86 O ATOM 1706 CB PHE A 106 2.842 -11.400 3.090 1.00 0.76 C ATOM 1707 CG PHE A 106 2.872 -10.884 4.511 1.00 0.80 C ATOM 1708 CD1 PHE A 106 1.793 -11.073 5.359 1.00 0.98 C ATOM 1709 CD2 PHE A 106 3.985 -10.220 4.998 1.00 0.76 C ATOM 1710 CE1 PHE A 106 1.824 -10.611 6.661 1.00 1.10 C ATOM 1711 CE2 PHE A 106 4.022 -9.754 6.299 1.00 0.85 C ATOM 1712 CZ PHE A 106 2.914 -9.918 7.120 1.00 1.02 C ATOM 0 H PHE A 106 2.717 -13.709 4.711 1.00 0.92 H new ATOM 0 HA PHE A 106 3.262 -13.121 1.868 1.00 0.81 H new ATOM 0 HB2 PHE A 106 3.437 -10.735 2.464 1.00 0.76 H new ATOM 0 HB3 PHE A 106 1.817 -11.352 2.722 1.00 0.76 H new ATOM 0 HD1 PHE A 106 0.915 -11.589 4.998 1.00 0.98 H new ATOM 0 HD2 PHE A 106 4.836 -10.064 4.352 1.00 0.76 H new ATOM 0 HE1 PHE A 106 0.987 -10.796 7.318 1.00 1.10 H new ATOM 0 HE2 PHE A 106 4.908 -9.265 6.675 1.00 0.85 H new ATOM 0 HZ PHE A 106 2.911 -9.501 8.116 1.00 1.02 H new ATOM 1722 N ASP A 107 5.688 -12.762 2.276 1.00 0.79 N ATOM 1723 CA ASP A 107 7.134 -12.818 2.472 1.00 0.82 C ATOM 1724 C ASP A 107 7.639 -11.538 3.122 1.00 0.73 C ATOM 1725 O ASP A 107 8.812 -11.438 3.465 1.00 0.72 O ATOM 1726 CB ASP A 107 7.829 -12.991 1.125 1.00 0.88 C ATOM 1727 CG ASP A 107 9.152 -13.723 1.222 1.00 1.35 C ATOM 1728 OD1 ASP A 107 9.143 -14.969 1.308 1.00 1.63 O ATOM 1729 OD2 ASP A 107 10.205 -13.048 1.229 1.00 1.77 O ATOM 0 H ASP A 107 5.403 -12.598 1.310 1.00 0.79 H new ATOM 0 HA ASP A 107 7.358 -13.663 3.123 1.00 0.82 H new ATOM 0 HB2 ASP A 107 7.169 -13.536 0.451 1.00 0.88 H new ATOM 0 HB3 ASP A 107 7.997 -12.009 0.682 1.00 0.88 H new ATOM 1734 N ILE A 108 6.702 -10.598 3.313 1.00 0.73 N ATOM 1735 CA ILE A 108 6.960 -9.178 3.638 1.00 0.71 C ATOM 1736 C ILE A 108 7.944 -8.526 2.653 1.00 0.66 C ATOM 1737 O ILE A 108 7.618 -7.514 2.031 1.00 0.63 O ATOM 1738 CB ILE A 108 7.367 -8.918 5.130 1.00 0.77 C ATOM 1739 CG1 ILE A 108 7.246 -7.422 5.461 1.00 0.67 C ATOM 1740 CG2 ILE A 108 8.773 -9.401 5.459 1.00 1.33 C ATOM 1741 CD1 ILE A 108 5.854 -6.863 5.241 1.00 1.39 C ATOM 0 H ILE A 108 5.706 -10.808 3.244 1.00 0.73 H new ATOM 0 HA ILE A 108 5.995 -8.686 3.517 1.00 0.71 H new ATOM 0 HB ILE A 108 6.676 -9.497 5.744 1.00 0.77 H new ATOM 0 HG12 ILE A 108 7.532 -7.264 6.501 1.00 0.67 H new ATOM 0 HG13 ILE A 108 7.954 -6.864 4.848 1.00 0.67 H new ATOM 0 HG21 ILE A 108 8.994 -9.192 6.506 1.00 1.33 H new ATOM 0 HG22 ILE A 108 8.840 -10.474 5.281 1.00 1.33 H new ATOM 0 HG23 ILE A 108 9.493 -8.883 4.826 1.00 1.33 H new ATOM 0 HD11 ILE A 108 5.843 -5.803 5.495 1.00 1.39 H new ATOM 0 HD12 ILE A 108 5.572 -6.989 4.196 1.00 1.39 H new ATOM 0 HD13 ILE A 108 5.144 -7.395 5.874 1.00 1.39 H new ATOM 1753 N ASP A 109 9.107 -9.132 2.463 1.00 0.68 N ATOM 1754 CA ASP A 109 10.112 -8.611 1.549 1.00 0.67 C ATOM 1755 C ASP A 109 9.621 -8.665 0.116 1.00 0.62 C ATOM 1756 O ASP A 109 10.037 -7.868 -0.696 1.00 0.58 O ATOM 1757 CB ASP A 109 11.418 -9.387 1.674 1.00 0.73 C ATOM 1758 CG ASP A 109 12.510 -8.873 0.758 1.00 0.95 C ATOM 1759 OD1 ASP A 109 13.024 -7.762 0.999 1.00 1.16 O ATOM 1760 OD2 ASP A 109 12.877 -9.593 -0.193 1.00 1.08 O ATOM 0 H ASP A 109 9.379 -9.994 2.935 1.00 0.68 H new ATOM 0 HA ASP A 109 10.294 -7.571 1.820 1.00 0.67 H new ATOM 0 HB2 ASP A 109 11.765 -9.337 2.706 1.00 0.73 H new ATOM 0 HB3 ASP A 109 11.231 -10.438 1.452 1.00 0.73 H new ATOM 1765 N GLU A 110 8.720 -9.593 -0.200 1.00 0.65 N ATOM 1766 CA GLU A 110 8.163 -9.647 -1.549 1.00 0.64 C ATOM 1767 C GLU A 110 7.246 -8.457 -1.777 1.00 0.59 C ATOM 1768 O GLU A 110 7.068 -8.008 -2.903 1.00 0.58 O ATOM 1769 CB GLU A 110 7.384 -10.948 -1.789 1.00 0.68 C ATOM 1770 CG GLU A 110 6.141 -11.094 -0.918 1.00 0.67 C ATOM 1771 CD GLU A 110 5.229 -12.209 -1.374 1.00 0.72 C ATOM 1772 OE1 GLU A 110 4.753 -12.167 -2.528 1.00 0.72 O ATOM 1773 OE2 GLU A 110 4.973 -13.127 -0.570 1.00 0.84 O ATOM 0 H GLU A 110 8.367 -10.302 0.443 1.00 0.65 H new ATOM 0 HA GLU A 110 8.995 -9.616 -2.253 1.00 0.64 H new ATOM 0 HB2 GLU A 110 7.089 -10.995 -2.837 1.00 0.68 H new ATOM 0 HB3 GLU A 110 8.045 -11.795 -1.606 1.00 0.68 H new ATOM 0 HG2 GLU A 110 6.445 -11.279 0.112 1.00 0.67 H new ATOM 0 HG3 GLU A 110 5.588 -10.155 -0.923 1.00 0.67 H new ATOM 1780 N ILE A 111 6.680 -7.947 -0.695 1.00 0.57 N ATOM 1781 CA ILE A 111 5.786 -6.801 -0.764 1.00 0.54 C ATOM 1782 C ILE A 111 6.599 -5.525 -0.788 1.00 0.48 C ATOM 1783 O ILE A 111 6.326 -4.618 -1.573 1.00 0.46 O ATOM 1784 CB ILE A 111 4.823 -6.782 0.434 1.00 0.58 C ATOM 1785 CG1 ILE A 111 4.132 -8.138 0.569 1.00 0.69 C ATOM 1786 CG2 ILE A 111 3.795 -5.676 0.264 1.00 0.56 C ATOM 1787 CD1 ILE A 111 3.302 -8.267 1.820 1.00 0.74 C ATOM 0 H ILE A 111 6.825 -8.311 0.247 1.00 0.57 H new ATOM 0 HA ILE A 111 5.195 -6.878 -1.677 1.00 0.54 H new ATOM 0 HB ILE A 111 5.392 -6.587 1.343 1.00 0.58 H new ATOM 0 HG12 ILE A 111 3.494 -8.300 -0.300 1.00 0.69 H new ATOM 0 HG13 ILE A 111 4.887 -8.924 0.561 1.00 0.69 H new ATOM 0 HG21 ILE A 111 3.119 -5.673 1.119 1.00 0.56 H new ATOM 0 HG22 ILE A 111 4.303 -4.714 0.200 1.00 0.56 H new ATOM 0 HG23 ILE A 111 3.225 -5.847 -0.649 1.00 0.56 H new ATOM 0 HD11 ILE A 111 2.841 -9.254 1.850 1.00 0.74 H new ATOM 0 HD12 ILE A 111 3.939 -8.137 2.695 1.00 0.74 H new ATOM 0 HD13 ILE A 111 2.524 -7.503 1.821 1.00 0.74 H new ATOM 1799 N ARG A 112 7.616 -5.472 0.058 1.00 0.48 N ATOM 1800 CA ARG A 112 8.517 -4.337 0.062 1.00 0.46 C ATOM 1801 C ARG A 112 9.270 -4.304 -1.259 1.00 0.47 C ATOM 1802 O ARG A 112 9.471 -3.249 -1.854 1.00 0.47 O ATOM 1803 CB ARG A 112 9.470 -4.389 1.279 1.00 0.48 C ATOM 1804 CG ARG A 112 10.742 -5.220 1.108 1.00 0.51 C ATOM 1805 CD ARG A 112 11.787 -4.464 0.303 1.00 0.50 C ATOM 1806 NE ARG A 112 13.075 -5.141 0.246 1.00 0.56 N ATOM 1807 CZ ARG A 112 14.212 -4.498 0.009 1.00 0.62 C ATOM 1808 NH1 ARG A 112 14.206 -3.175 -0.112 1.00 0.64 N ATOM 1809 NH2 ARG A 112 15.354 -5.163 -0.104 1.00 0.72 N ATOM 0 H ARG A 112 7.835 -6.195 0.743 1.00 0.48 H new ATOM 0 HA ARG A 112 7.948 -3.413 0.160 1.00 0.46 H new ATOM 0 HB2 ARG A 112 9.759 -3.369 1.531 1.00 0.48 H new ATOM 0 HB3 ARG A 112 8.916 -4.783 2.131 1.00 0.48 H new ATOM 0 HG2 ARG A 112 11.148 -5.475 2.087 1.00 0.51 H new ATOM 0 HG3 ARG A 112 10.502 -6.158 0.608 1.00 0.51 H new ATOM 0 HD2 ARG A 112 11.417 -4.317 -0.712 1.00 0.50 H new ATOM 0 HD3 ARG A 112 11.924 -3.474 0.738 1.00 0.50 H new ATOM 0 HE ARG A 112 13.105 -6.150 0.394 1.00 0.56 H new ATOM 0 HH11 ARG A 112 13.331 -2.659 -0.023 1.00 0.64 H new ATOM 0 HH12 ARG A 112 15.077 -2.676 -0.294 1.00 0.64 H new ATOM 0 HH21 ARG A 112 15.364 -6.178 -0.009 1.00 0.72 H new ATOM 0 HH22 ARG A 112 16.222 -4.659 -0.286 1.00 0.72 H new ATOM 1823 N ASP A 113 9.657 -5.475 -1.742 1.00 0.50 N ATOM 1824 CA ASP A 113 10.376 -5.547 -2.985 1.00 0.53 C ATOM 1825 C ASP A 113 9.451 -5.144 -4.121 1.00 0.54 C ATOM 1826 O ASP A 113 9.847 -4.431 -5.038 1.00 0.59 O ATOM 1827 CB ASP A 113 10.935 -6.945 -3.250 1.00 0.58 C ATOM 1828 CG ASP A 113 11.555 -7.047 -4.631 1.00 0.67 C ATOM 1829 OD1 ASP A 113 12.747 -6.710 -4.779 1.00 0.77 O ATOM 1830 OD2 ASP A 113 10.857 -7.487 -5.573 1.00 0.78 O ATOM 0 H ASP A 113 9.483 -6.373 -1.291 1.00 0.50 H new ATOM 0 HA ASP A 113 11.223 -4.864 -2.921 1.00 0.53 H new ATOM 0 HB2 ASP A 113 11.684 -7.187 -2.496 1.00 0.58 H new ATOM 0 HB3 ASP A 113 10.137 -7.681 -3.154 1.00 0.58 H new ATOM 1835 N ALA A 114 8.204 -5.606 -4.032 1.00 0.54 N ATOM 1836 CA ALA A 114 7.187 -5.284 -5.021 1.00 0.57 C ATOM 1837 C ALA A 114 7.036 -3.786 -5.173 1.00 0.52 C ATOM 1838 O ALA A 114 7.054 -3.267 -6.285 1.00 0.57 O ATOM 1839 CB ALA A 114 5.848 -5.901 -4.649 1.00 0.59 C ATOM 0 H ALA A 114 7.876 -6.209 -3.277 1.00 0.54 H new ATOM 0 HA ALA A 114 7.512 -5.703 -5.973 1.00 0.57 H new ATOM 0 HB1 ALA A 114 5.106 -5.644 -5.405 1.00 0.59 H new ATOM 0 HB2 ALA A 114 5.950 -6.985 -4.594 1.00 0.59 H new ATOM 0 HB3 ALA A 114 5.527 -5.517 -3.681 1.00 0.59 H new ATOM 1845 N VAL A 115 6.912 -3.087 -4.056 1.00 0.46 N ATOM 1846 CA VAL A 115 6.702 -1.659 -4.115 1.00 0.41 C ATOM 1847 C VAL A 115 7.888 -0.951 -4.788 1.00 0.45 C ATOM 1848 O VAL A 115 7.690 -0.166 -5.715 1.00 0.47 O ATOM 1849 CB VAL A 115 6.407 -1.033 -2.738 1.00 0.34 C ATOM 1850 CG1 VAL A 115 5.141 -1.625 -2.148 1.00 0.36 C ATOM 1851 CG2 VAL A 115 7.561 -1.184 -1.768 1.00 0.37 C ATOM 0 H VAL A 115 6.953 -3.481 -3.116 1.00 0.46 H new ATOM 0 HA VAL A 115 5.811 -1.510 -4.724 1.00 0.41 H new ATOM 0 HB VAL A 115 6.266 0.036 -2.900 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.947 -1.172 -1.176 1.00 0.36 H new ATOM 0 HG12 VAL A 115 4.302 -1.427 -2.815 1.00 0.36 H new ATOM 0 HG13 VAL A 115 5.264 -2.702 -2.029 1.00 0.36 H new ATOM 0 HG21 VAL A 115 7.298 -0.725 -0.815 1.00 0.37 H new ATOM 0 HG22 VAL A 115 7.772 -2.242 -1.615 1.00 0.37 H new ATOM 0 HG23 VAL A 115 8.445 -0.693 -2.175 1.00 0.37 H new ATOM 1861 N LYS A 116 9.119 -1.276 -4.367 1.00 0.50 N ATOM 1862 CA LYS A 116 10.314 -0.632 -4.932 1.00 0.59 C ATOM 1863 C LYS A 116 10.593 -1.070 -6.371 1.00 0.69 C ATOM 1864 O LYS A 116 11.329 -0.401 -7.083 1.00 0.85 O ATOM 1865 CB LYS A 116 11.555 -0.877 -4.053 1.00 0.76 C ATOM 1866 CG LYS A 116 11.678 -2.291 -3.506 1.00 1.16 C ATOM 1867 CD LYS A 116 12.884 -3.046 -4.054 1.00 0.92 C ATOM 1868 CE LYS A 116 12.742 -3.347 -5.536 1.00 0.80 C ATOM 1869 NZ LYS A 116 13.629 -4.459 -5.970 1.00 1.04 N ATOM 0 H LYS A 116 9.312 -1.972 -3.647 1.00 0.50 H new ATOM 0 HA LYS A 116 10.102 0.437 -4.949 1.00 0.59 H new ATOM 0 HB2 LYS A 116 12.447 -0.649 -4.636 1.00 0.76 H new ATOM 0 HB3 LYS A 116 11.534 -0.179 -3.216 1.00 0.76 H new ATOM 0 HG2 LYS A 116 11.748 -2.248 -2.419 1.00 1.16 H new ATOM 0 HG3 LYS A 116 10.771 -2.846 -3.745 1.00 1.16 H new ATOM 0 HD2 LYS A 116 13.786 -2.457 -3.889 1.00 0.92 H new ATOM 0 HD3 LYS A 116 13.008 -3.979 -3.505 1.00 0.92 H new ATOM 0 HE2 LYS A 116 11.706 -3.604 -5.755 1.00 0.80 H new ATOM 0 HE3 LYS A 116 12.977 -2.451 -6.111 1.00 0.80 H new ATOM 0 HZ1 LYS A 116 13.708 -4.455 -7.007 1.00 1.04 H new ATOM 0 HZ2 LYS A 116 14.572 -4.335 -5.550 1.00 1.04 H new ATOM 0 HZ3 LYS A 116 13.228 -5.366 -5.657 1.00 1.04 H new ATOM 1883 N LYS A 117 10.051 -2.202 -6.807 1.00 0.71 N ATOM 1884 CA LYS A 117 10.220 -2.586 -8.206 1.00 0.81 C ATOM 1885 C LYS A 117 9.137 -1.961 -9.084 1.00 0.79 C ATOM 1886 O LYS A 117 9.331 -1.803 -10.289 1.00 0.90 O ATOM 1887 CB LYS A 117 10.270 -4.105 -8.405 1.00 0.89 C ATOM 1888 CG LYS A 117 9.071 -4.866 -7.876 1.00 0.85 C ATOM 1889 CD LYS A 117 8.910 -6.187 -8.620 1.00 1.09 C ATOM 1890 CE LYS A 117 7.978 -7.149 -7.903 1.00 1.08 C ATOM 1891 NZ LYS A 117 8.699 -7.987 -6.908 1.00 1.48 N ATOM 0 H LYS A 117 9.509 -2.851 -6.236 1.00 0.71 H new ATOM 0 HA LYS A 117 11.189 -2.196 -8.516 1.00 0.81 H new ATOM 0 HB2 LYS A 117 10.370 -4.312 -9.470 1.00 0.89 H new ATOM 0 HB3 LYS A 117 11.167 -4.489 -7.919 1.00 0.89 H new ATOM 0 HG2 LYS A 117 9.193 -5.055 -6.809 1.00 0.85 H new ATOM 0 HG3 LYS A 117 8.170 -4.264 -7.992 1.00 0.85 H new ATOM 0 HD2 LYS A 117 8.525 -5.992 -9.621 1.00 1.09 H new ATOM 0 HD3 LYS A 117 9.887 -6.654 -8.740 1.00 1.09 H new ATOM 0 HE2 LYS A 117 7.192 -6.585 -7.400 1.00 1.08 H new ATOM 0 HE3 LYS A 117 7.490 -7.794 -8.634 1.00 1.08 H new ATOM 0 HZ1 LYS A 117 8.013 -8.425 -6.261 1.00 1.48 H new ATOM 0 HZ2 LYS A 117 9.233 -8.731 -7.402 1.00 1.48 H new ATOM 0 HZ3 LYS A 117 9.356 -7.392 -6.364 1.00 1.48 H new ATOM 1905 N TYR A 118 8.004 -1.606 -8.488 1.00 0.69 N ATOM 1906 CA TYR A 118 6.966 -0.885 -9.216 1.00 0.68 C ATOM 1907 C TYR A 118 7.293 0.603 -9.254 1.00 0.69 C ATOM 1908 O TYR A 118 7.599 1.156 -10.314 1.00 0.77 O ATOM 1909 CB TYR A 118 5.581 -1.112 -8.590 1.00 0.64 C ATOM 1910 CG TYR A 118 4.897 -2.387 -9.043 1.00 0.88 C ATOM 1911 CD1 TYR A 118 4.129 -2.413 -10.201 1.00 1.48 C ATOM 1912 CD2 TYR A 118 5.010 -3.559 -8.310 1.00 1.04 C ATOM 1913 CE1 TYR A 118 3.496 -3.571 -10.613 1.00 1.86 C ATOM 1914 CE2 TYR A 118 4.380 -4.720 -8.712 1.00 1.43 C ATOM 1915 CZ TYR A 118 3.626 -4.722 -9.865 1.00 1.73 C ATOM 1916 OH TYR A 118 2.993 -5.878 -10.267 1.00 2.21 O ATOM 0 H TYR A 118 7.782 -1.803 -7.512 1.00 0.69 H new ATOM 0 HA TYR A 118 6.937 -1.271 -10.235 1.00 0.68 H new ATOM 0 HB2 TYR A 118 5.684 -1.134 -7.505 1.00 0.64 H new ATOM 0 HB3 TYR A 118 4.941 -0.264 -8.833 1.00 0.64 H new ATOM 0 HD1 TYR A 118 4.025 -1.513 -10.789 1.00 1.48 H new ATOM 0 HD2 TYR A 118 5.602 -3.564 -7.407 1.00 1.04 H new ATOM 0 HE1 TYR A 118 2.903 -3.574 -11.516 1.00 1.86 H new ATOM 0 HE2 TYR A 118 4.478 -5.622 -8.126 1.00 1.43 H new ATOM 0 HH TYR A 118 3.188 -6.596 -9.630 1.00 2.21 H new ATOM 1926 N LEU A 119 7.250 1.242 -8.095 1.00 0.66 N ATOM 1927 CA LEU A 119 7.577 2.658 -7.987 1.00 0.69 C ATOM 1928 C LEU A 119 8.769 2.828 -7.059 1.00 0.72 C ATOM 1929 O LEU A 119 8.610 2.871 -5.845 1.00 0.79 O ATOM 1930 CB LEU A 119 6.385 3.477 -7.466 1.00 0.71 C ATOM 1931 CG LEU A 119 5.255 3.751 -8.469 1.00 1.34 C ATOM 1932 CD1 LEU A 119 5.805 4.378 -9.740 1.00 2.00 C ATOM 1933 CD2 LEU A 119 4.478 2.483 -8.788 1.00 2.09 C ATOM 0 H LEU A 119 6.991 0.802 -7.212 1.00 0.66 H new ATOM 0 HA LEU A 119 7.822 3.030 -8.982 1.00 0.69 H new ATOM 0 HB2 LEU A 119 5.961 2.956 -6.608 1.00 0.71 H new ATOM 0 HB3 LEU A 119 6.760 4.434 -7.104 1.00 0.71 H new ATOM 0 HG LEU A 119 4.565 4.457 -8.007 1.00 1.34 H new ATOM 0 HD11 LEU A 119 4.988 4.564 -10.437 1.00 2.00 H new ATOM 0 HD12 LEU A 119 6.297 5.320 -9.498 1.00 2.00 H new ATOM 0 HD13 LEU A 119 6.525 3.700 -10.198 1.00 2.00 H new ATOM 0 HD21 LEU A 119 3.686 2.711 -9.501 1.00 2.09 H new ATOM 0 HD22 LEU A 119 5.151 1.742 -9.219 1.00 2.09 H new ATOM 0 HD23 LEU A 119 4.039 2.085 -7.873 1.00 2.09 H new ATOM 1945 N PRO A 120 9.980 2.901 -7.627 1.00 0.72 N ATOM 1946 CA PRO A 120 11.213 2.926 -6.856 1.00 0.75 C ATOM 1947 C PRO A 120 11.694 4.336 -6.498 1.00 0.77 C ATOM 1948 O PRO A 120 11.600 5.270 -7.305 1.00 0.92 O ATOM 1949 CB PRO A 120 12.198 2.271 -7.818 1.00 0.79 C ATOM 1950 CG PRO A 120 11.721 2.647 -9.183 1.00 0.78 C ATOM 1951 CD PRO A 120 10.246 2.951 -9.074 1.00 0.75 C ATOM 0 HA PRO A 120 11.096 2.433 -5.891 1.00 0.75 H new ATOM 0 HB2 PRO A 120 13.214 2.626 -7.644 1.00 0.79 H new ATOM 0 HB3 PRO A 120 12.213 1.189 -7.690 1.00 0.79 H new ATOM 0 HG2 PRO A 120 12.266 3.515 -9.555 1.00 0.78 H new ATOM 0 HG3 PRO A 120 11.895 1.835 -9.888 1.00 0.78 H new ATOM 0 HD2 PRO A 120 10.008 3.930 -9.490 1.00 0.75 H new ATOM 0 HD3 PRO A 120 9.646 2.220 -9.616 1.00 0.75 H new ATOM 1959 N LEU A 121 12.219 4.471 -5.291 1.00 0.70 N ATOM 1960 CA LEU A 121 12.831 5.708 -4.834 1.00 0.69 C ATOM 1961 C LEU A 121 14.308 5.494 -4.602 1.00 0.82 C ATOM 1962 O LEU A 121 15.161 6.039 -5.307 1.00 1.00 O ATOM 1963 CB LEU A 121 12.175 6.144 -3.528 1.00 0.55 C ATOM 1964 CG LEU A 121 12.791 7.331 -2.799 1.00 0.58 C ATOM 1965 CD1 LEU A 121 12.899 8.532 -3.715 1.00 1.23 C ATOM 1966 CD2 LEU A 121 11.963 7.653 -1.567 1.00 1.25 C ATOM 0 H LEU A 121 12.233 3.723 -4.598 1.00 0.70 H new ATOM 0 HA LEU A 121 12.693 6.479 -5.592 1.00 0.69 H new ATOM 0 HB2 LEU A 121 11.132 6.381 -3.737 1.00 0.55 H new ATOM 0 HB3 LEU A 121 12.178 5.292 -2.848 1.00 0.55 H new ATOM 0 HG LEU A 121 13.802 7.071 -2.485 1.00 0.58 H new ATOM 0 HD11 LEU A 121 13.342 9.366 -3.171 1.00 1.23 H new ATOM 0 HD12 LEU A 121 13.527 8.282 -4.570 1.00 1.23 H new ATOM 0 HD13 LEU A 121 11.906 8.813 -4.065 1.00 1.23 H new ATOM 0 HD21 LEU A 121 12.403 8.502 -1.045 1.00 1.25 H new ATOM 0 HD22 LEU A 121 10.945 7.900 -1.867 1.00 1.25 H new ATOM 0 HD23 LEU A 121 11.946 6.788 -0.904 1.00 1.25 H new ATOM 1978 N LYS A 122 14.595 4.674 -3.614 1.00 0.82 N ATOM 1979 CA LYS A 122 15.954 4.470 -3.148 1.00 1.05 C ATOM 1980 C LYS A 122 16.148 3.018 -2.740 1.00 1.07 C ATOM 1981 O LYS A 122 17.079 2.356 -3.189 1.00 1.32 O ATOM 1982 CB LYS A 122 16.233 5.386 -1.954 1.00 1.11 C ATOM 1983 CG LYS A 122 16.040 6.872 -2.248 1.00 1.18 C ATOM 1984 CD LYS A 122 16.104 7.698 -0.978 1.00 1.87 C ATOM 1985 CE LYS A 122 15.737 9.153 -1.230 1.00 2.07 C ATOM 1986 NZ LYS A 122 16.650 9.809 -2.205 1.00 2.78 N ATOM 0 H LYS A 122 13.895 4.129 -3.110 1.00 0.82 H new ATOM 0 HA LYS A 122 16.648 4.709 -3.954 1.00 1.05 H new ATOM 0 HB2 LYS A 122 15.577 5.102 -1.131 1.00 1.11 H new ATOM 0 HB3 LYS A 122 17.257 5.224 -1.617 1.00 1.11 H new ATOM 0 HG2 LYS A 122 16.808 7.210 -2.943 1.00 1.18 H new ATOM 0 HG3 LYS A 122 15.078 7.026 -2.737 1.00 1.18 H new ATOM 0 HD2 LYS A 122 15.427 7.276 -0.236 1.00 1.87 H new ATOM 0 HD3 LYS A 122 17.109 7.644 -0.560 1.00 1.87 H new ATOM 0 HE2 LYS A 122 14.714 9.207 -1.602 1.00 2.07 H new ATOM 0 HE3 LYS A 122 15.763 9.700 -0.287 1.00 2.07 H new ATOM 0 HZ1 LYS A 122 16.412 10.819 -2.279 1.00 2.78 H new ATOM 0 HZ2 LYS A 122 17.633 9.708 -1.882 1.00 2.78 H new ATOM 0 HZ3 LYS A 122 16.544 9.359 -3.137 1.00 2.78 H new ATOM 2000 N SER A 123 15.237 2.545 -1.893 1.00 0.92 N ATOM 2001 CA SER A 123 15.254 1.182 -1.362 1.00 1.00 C ATOM 2002 C SER A 123 16.592 0.867 -0.682 1.00 1.56 C ATOM 2003 O SER A 123 16.885 1.418 0.382 1.00 2.17 O ATOM 2004 CB SER A 123 14.892 0.137 -2.438 1.00 0.86 C ATOM 2005 OG SER A 123 15.825 0.113 -3.510 1.00 1.48 O ATOM 0 H SER A 123 14.455 3.104 -1.551 1.00 0.92 H new ATOM 0 HA SER A 123 14.479 1.121 -0.598 1.00 1.00 H new ATOM 0 HB2 SER A 123 14.845 -0.851 -1.979 1.00 0.86 H new ATOM 0 HB3 SER A 123 13.898 0.354 -2.830 1.00 0.86 H new ATOM 0 HG SER A 123 16.549 0.748 -3.328 1.00 1.48 H new ATOM 2011 N ASN A 124 17.411 0.016 -1.302 1.00 2.15 N ATOM 2012 CA ASN A 124 18.690 -0.380 -0.714 1.00 2.87 C ATOM 2013 C ASN A 124 19.502 -1.260 -1.661 1.00 3.13 C ATOM 2014 O ASN A 124 20.724 -1.133 -1.739 1.00 3.71 O ATOM 2015 CB ASN A 124 18.486 -1.121 0.622 1.00 3.66 C ATOM 2016 CG ASN A 124 17.793 -2.473 0.480 1.00 4.66 C ATOM 2017 OD1 ASN A 124 16.937 -2.673 -0.388 1.00 5.26 O ATOM 2018 ND2 ASN A 124 18.162 -3.414 1.335 1.00 5.20 N ATOM 0 H ASN A 124 17.212 -0.410 -2.207 1.00 2.15 H new ATOM 0 HA ASN A 124 19.246 0.540 -0.532 1.00 2.87 H new ATOM 0 HB2 ASN A 124 19.456 -1.269 1.096 1.00 3.66 H new ATOM 0 HB3 ASN A 124 17.898 -0.491 1.290 1.00 3.66 H new ATOM 0 HD21 ASN A 124 17.736 -4.340 1.290 1.00 5.20 H new ATOM 0 HD22 ASN A 124 18.872 -3.213 2.039 1.00 5.20 H new ATOM 2025 N LEU A 125 18.831 -2.143 -2.387 1.00 3.30 N ATOM 2026 CA LEU A 125 19.518 -3.141 -3.193 1.00 4.11 C ATOM 2027 C LEU A 125 19.460 -2.800 -4.676 1.00 4.82 C ATOM 2028 O LEU A 125 18.394 -2.490 -5.213 1.00 5.53 O ATOM 2029 CB LEU A 125 18.904 -4.523 -2.953 1.00 4.53 C ATOM 2030 CG LEU A 125 19.591 -5.674 -3.692 1.00 5.13 C ATOM 2031 CD1 LEU A 125 21.020 -5.847 -3.202 1.00 5.75 C ATOM 2032 CD2 LEU A 125 18.803 -6.962 -3.517 1.00 5.59 C ATOM 0 H LEU A 125 17.813 -2.188 -2.434 1.00 3.30 H new ATOM 0 HA LEU A 125 20.565 -3.149 -2.890 1.00 4.11 H new ATOM 0 HB2 LEU A 125 18.926 -4.733 -1.884 1.00 4.53 H new ATOM 0 HB3 LEU A 125 17.856 -4.495 -3.250 1.00 4.53 H new ATOM 0 HG LEU A 125 19.623 -5.433 -4.754 1.00 5.13 H new ATOM 0 HD11 LEU A 125 21.492 -6.670 -3.739 1.00 5.75 H new ATOM 0 HD12 LEU A 125 21.580 -4.929 -3.381 1.00 5.75 H new ATOM 0 HD13 LEU A 125 21.014 -6.066 -2.134 1.00 5.75 H new ATOM 0 HD21 LEU A 125 19.305 -7.771 -4.049 1.00 5.59 H new ATOM 0 HD22 LEU A 125 18.740 -7.209 -2.457 1.00 5.59 H new ATOM 0 HD23 LEU A 125 17.799 -6.832 -3.920 1.00 5.59 H new ATOM 2044 N GLU A 126 20.615 -2.867 -5.324 1.00 5.03 N ATOM 2045 CA GLU A 126 20.710 -2.650 -6.761 1.00 6.01 C ATOM 2046 C GLU A 126 20.365 -3.927 -7.514 1.00 6.63 C ATOM 2047 O GLU A 126 20.249 -4.996 -6.914 1.00 6.74 O ATOM 2048 CB GLU A 126 22.126 -2.220 -7.146 1.00 6.68 C ATOM 2049 CG GLU A 126 22.599 -0.949 -6.470 1.00 7.19 C ATOM 2050 CD GLU A 126 24.044 -0.645 -6.793 1.00 8.09 C ATOM 2051 OE1 GLU A 126 24.302 -0.008 -7.833 1.00 8.43 O ATOM 2052 OE2 GLU A 126 24.930 -1.032 -6.000 1.00 8.65 O ATOM 0 H GLU A 126 21.506 -3.072 -4.872 1.00 5.03 H new ATOM 0 HA GLU A 126 20.004 -1.863 -7.028 1.00 6.01 H new ATOM 0 HB2 GLU A 126 22.817 -3.026 -6.901 1.00 6.68 H new ATOM 0 HB3 GLU A 126 22.169 -2.081 -8.226 1.00 6.68 H new ATOM 0 HG2 GLU A 126 21.973 -0.115 -6.786 1.00 7.19 H new ATOM 0 HG3 GLU A 126 22.480 -1.046 -5.391 1.00 7.19 H new ATOM 2059 N HIS A 127 20.222 -3.807 -8.833 1.00 7.33 N ATOM 2060 CA HIS A 127 19.989 -4.957 -9.707 1.00 8.24 C ATOM 2061 C HIS A 127 18.668 -5.654 -9.381 1.00 8.84 C ATOM 2062 O HIS A 127 17.841 -5.144 -8.617 1.00 8.87 O ATOM 2063 CB HIS A 127 21.150 -5.962 -9.605 1.00 8.80 C ATOM 2064 CG HIS A 127 22.485 -5.400 -9.998 1.00 9.00 C ATOM 2065 ND1 HIS A 127 23.616 -5.516 -9.214 1.00 9.40 N ATOM 2066 CD2 HIS A 127 22.866 -4.711 -11.098 1.00 9.14 C ATOM 2067 CE1 HIS A 127 24.629 -4.922 -9.816 1.00 9.73 C ATOM 2068 NE2 HIS A 127 24.200 -4.427 -10.959 1.00 9.58 N ATOM 0 H HIS A 127 20.264 -2.914 -9.325 1.00 7.33 H new ATOM 0 HA HIS A 127 19.931 -4.581 -10.728 1.00 8.24 H new ATOM 0 HB2 HIS A 127 21.210 -6.328 -8.580 1.00 8.80 H new ATOM 0 HB3 HIS A 127 20.929 -6.821 -10.238 1.00 8.80 H new ATOM 0 HD2 HIS A 127 22.236 -4.436 -11.931 1.00 9.14 H new ATOM 0 HE1 HIS A 127 25.638 -4.853 -9.436 1.00 9.73 H new ATOM 0 HE2 HIS A 127 24.769 -3.915 -11.633 1.00 9.58 H new ATOM 2077 N HIS A 128 18.471 -6.815 -9.983 1.00 9.55 N ATOM 2078 CA HIS A 128 17.293 -7.632 -9.734 1.00 10.37 C ATOM 2079 C HIS A 128 17.671 -9.101 -9.826 1.00 10.87 C ATOM 2080 O HIS A 128 17.654 -9.695 -10.906 1.00 11.49 O ATOM 2081 CB HIS A 128 16.160 -7.298 -10.723 1.00 11.23 C ATOM 2082 CG HIS A 128 14.963 -8.210 -10.629 1.00 11.65 C ATOM 2083 ND1 HIS A 128 14.318 -8.706 -11.739 1.00 12.20 N ATOM 2084 CD2 HIS A 128 14.296 -8.710 -9.558 1.00 11.83 C ATOM 2085 CE1 HIS A 128 13.314 -9.473 -11.361 1.00 12.67 C ATOM 2086 NE2 HIS A 128 13.276 -9.495 -10.044 1.00 12.47 N ATOM 0 H HIS A 128 19.122 -7.218 -10.657 1.00 9.55 H new ATOM 0 HA HIS A 128 16.923 -7.416 -8.732 1.00 10.37 H new ATOM 0 HB2 HIS A 128 15.834 -6.272 -10.551 1.00 11.23 H new ATOM 0 HB3 HIS A 128 16.555 -7.341 -11.738 1.00 11.23 H new ATOM 0 HD2 HIS A 128 14.523 -8.526 -8.518 1.00 11.83 H new ATOM 0 HE1 HIS A 128 12.637 -9.995 -12.020 1.00 12.67 H new ATOM 0 HE2 HIS A 128 12.601 -10.009 -9.478 1.00 12.47 H new ATOM 2095 N HIS A 129 18.039 -9.671 -8.692 1.00 10.78 N ATOM 2096 CA HIS A 129 18.413 -11.073 -8.627 1.00 11.47 C ATOM 2097 C HIS A 129 17.151 -11.933 -8.601 1.00 12.43 C ATOM 2098 O HIS A 129 16.042 -11.401 -8.683 1.00 12.92 O ATOM 2099 CB HIS A 129 19.271 -11.328 -7.380 1.00 11.24 C ATOM 2100 CG HIS A 129 20.128 -12.554 -7.465 1.00 11.36 C ATOM 2101 ND1 HIS A 129 19.941 -13.657 -6.662 1.00 11.57 N ATOM 2102 CD2 HIS A 129 21.192 -12.841 -8.250 1.00 11.54 C ATOM 2103 CE1 HIS A 129 20.851 -14.566 -6.947 1.00 11.86 C ATOM 2104 NE2 HIS A 129 21.623 -14.097 -7.907 1.00 11.85 N ATOM 0 H HIS A 129 18.087 -9.181 -7.799 1.00 10.78 H new ATOM 0 HA HIS A 129 19.001 -11.337 -9.506 1.00 11.47 H new ATOM 0 HB2 HIS A 129 19.911 -10.462 -7.210 1.00 11.24 H new ATOM 0 HB3 HIS A 129 18.616 -11.416 -6.513 1.00 11.24 H new ATOM 0 HD2 HIS A 129 21.622 -12.200 -9.006 1.00 11.54 H new ATOM 0 HE1 HIS A 129 20.948 -15.532 -6.474 1.00 11.86 H new ATOM 0 HE2 HIS A 129 22.412 -14.588 -8.326 1.00 11.85 H new ATOM 2113 N HIS A 130 17.325 -13.250 -8.510 1.00 12.86 N ATOM 2114 CA HIS A 130 16.207 -14.187 -8.402 1.00 13.91 C ATOM 2115 C HIS A 130 15.498 -14.318 -9.746 1.00 14.53 C ATOM 2116 O HIS A 130 14.317 -14.655 -9.803 1.00 14.74 O ATOM 2117 CB HIS A 130 15.221 -13.734 -7.314 1.00 14.42 C ATOM 2118 CG HIS A 130 14.498 -14.853 -6.625 1.00 15.19 C ATOM 2119 ND1 HIS A 130 14.016 -14.740 -5.342 1.00 15.61 N ATOM 2120 CD2 HIS A 130 14.182 -16.103 -7.034 1.00 15.79 C ATOM 2121 CE1 HIS A 130 13.439 -15.869 -4.987 1.00 16.39 C ATOM 2122 NE2 HIS A 130 13.525 -16.716 -5.995 1.00 16.51 N ATOM 0 H HIS A 130 18.242 -13.697 -8.509 1.00 12.86 H new ATOM 0 HA HIS A 130 16.600 -15.163 -8.118 1.00 13.91 H new ATOM 0 HB2 HIS A 130 15.764 -13.155 -6.567 1.00 14.42 H new ATOM 0 HB3 HIS A 130 14.486 -13.065 -7.763 1.00 14.42 H new ATOM 0 HD2 HIS A 130 14.405 -16.538 -7.997 1.00 15.79 H new ATOM 0 HE1 HIS A 130 12.974 -16.068 -4.033 1.00 16.39 H new ATOM 0 HE2 HIS A 130 13.163 -17.670 -6.002 1.00 16.51 H new ATOM 2131 N HIS A 131 16.229 -14.052 -10.826 1.00 14.97 N ATOM 2132 CA HIS A 131 15.695 -14.230 -12.169 1.00 15.74 C ATOM 2133 C HIS A 131 15.615 -15.719 -12.488 1.00 16.72 C ATOM 2134 O HIS A 131 16.602 -16.329 -12.907 1.00 17.05 O ATOM 2135 CB HIS A 131 16.569 -13.494 -13.197 1.00 15.86 C ATOM 2136 CG HIS A 131 16.133 -13.666 -14.624 1.00 16.30 C ATOM 2137 ND1 HIS A 131 15.003 -13.074 -15.153 1.00 16.54 N ATOM 2138 CD2 HIS A 131 16.695 -14.364 -15.641 1.00 16.69 C ATOM 2139 CE1 HIS A 131 14.889 -13.402 -16.425 1.00 17.06 C ATOM 2140 NE2 HIS A 131 15.902 -14.181 -16.746 1.00 17.15 N ATOM 0 H HIS A 131 17.191 -13.713 -10.795 1.00 14.97 H new ATOM 0 HA HIS A 131 14.693 -13.804 -12.219 1.00 15.74 H new ATOM 0 HB2 HIS A 131 16.572 -12.431 -12.957 1.00 15.86 H new ATOM 0 HB3 HIS A 131 17.596 -13.846 -13.100 1.00 15.86 H new ATOM 0 HD2 HIS A 131 17.598 -14.954 -15.591 1.00 16.69 H new ATOM 0 HE1 HIS A 131 14.099 -13.086 -17.091 1.00 17.06 H new ATOM 0 HE2 HIS A 131 16.070 -14.584 -17.668 1.00 17.15 H new ATOM 2149 N HIS A 132 14.423 -16.272 -12.280 1.00 17.28 N ATOM 2150 CA HIS A 132 14.158 -17.703 -12.404 1.00 18.32 C ATOM 2151 C HIS A 132 15.237 -18.524 -11.704 1.00 19.08 C ATOM 2152 O HIS A 132 15.200 -18.614 -10.460 1.00 19.24 O ATOM 2153 CB HIS A 132 14.042 -18.116 -13.871 1.00 18.50 C ATOM 2154 CG HIS A 132 13.288 -19.395 -14.056 1.00 18.62 C ATOM 2155 ND1 HIS A 132 13.888 -20.633 -14.116 1.00 18.99 N ATOM 2156 CD2 HIS A 132 11.961 -19.620 -14.181 1.00 18.56 C ATOM 2157 CE1 HIS A 132 12.963 -21.561 -14.270 1.00 19.14 C ATOM 2158 NE2 HIS A 132 11.783 -20.973 -14.310 1.00 18.89 N ATOM 2159 OXT HIS A 132 16.121 -19.069 -12.401 1.00 19.60 O ATOM 0 H HIS A 132 13.600 -15.730 -12.016 1.00 17.28 H new ATOM 0 HA HIS A 132 13.204 -17.904 -11.916 1.00 18.32 H new ATOM 0 HB2 HIS A 132 13.545 -17.323 -14.429 1.00 18.50 H new ATOM 0 HB3 HIS A 132 15.041 -18.224 -14.293 1.00 18.50 H new ATOM 0 HD2 HIS A 132 11.183 -18.871 -14.180 1.00 18.56 H new ATOM 0 HE1 HIS A 132 13.142 -22.623 -14.350 1.00 19.14 H new ATOM 0 HE2 HIS A 132 10.886 -21.447 -14.419 1.00 18.89 H new TER 2168 HIS A 132