USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 767 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 39 HIS : no HD1:sc= -3.99 X(o=-4,f=-4.2!) USER MOD Set 1.2: A 58 THR OG1 : rot -160:sc= 0 USER MOD Single : A 25 THR OG1 : rot -59:sc= 0.732 USER MOD Single : A 26 THR OG1 : rot 86:sc= 0.902 USER MOD Single : A 32 SER OG : rot -150:sc= -3.01 USER MOD Single : A 36 SER OG : rot 178:sc= -0.274! USER MOD Single : A 37 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc=-0.00303 (180deg=-0.113) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.9!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -13:sc= -5.59! USER MOD Single : A 52 THR OG1 : rot 18:sc= -3.35! USER MOD Single : A 55 SER OG : rot -110:sc= -4.92! USER MOD Single : A 57 SER OG : rot -128:sc= -5.54! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 63:sc= -4.89! USER MOD Single : A 69 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.11) USER MOD Single : A 70 ASN : amide:sc= -0.883 K(o=-0.88,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0521) USER MOD Single : A 76 LYS NZ :NH3+ 142:sc= -2.8 (180deg=-5.17!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -5.36! C(o=-5.4!,f=-12!) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.213 USER MOD Single : A 102 TYR OH : rot 4:sc= -1.54! USER MOD Single : A 103 HIS : no HE2:sc= 0.42 K(o=0.42,f=-5.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 24 -7.875 2.582 4.263 1.00 3.80 N ATOM 2 CA GLY A 24 -7.941 1.142 4.188 1.00 3.88 C ATOM 3 C GLY A 24 -8.646 0.546 5.389 1.00 4.84 C ATOM 4 O GLY A 24 -9.160 -0.572 5.327 1.00 5.34 O ATOM 0 HA2 GLY A 24 -8.464 0.849 3.278 1.00 3.88 H new ATOM 0 HA3 GLY A 24 -6.932 0.735 4.120 1.00 3.88 H new ATOM 8 N THR A 25 -8.670 1.295 6.489 1.00 5.40 N ATOM 9 CA THR A 25 -9.317 0.839 7.713 1.00 6.53 C ATOM 10 C THR A 25 -10.498 1.729 8.073 1.00 6.79 C ATOM 11 O THR A 25 -10.587 2.224 9.193 1.00 7.78 O ATOM 12 CB THR A 25 -8.314 0.807 8.865 1.00 7.48 C ATOM 13 OG1 THR A 25 -8.936 0.371 10.061 1.00 8.47 O ATOM 14 CG2 THR A 25 -7.680 2.151 9.138 1.00 7.80 C ATOM 0 H THR A 25 -8.248 2.221 6.556 1.00 5.40 H new ATOM 0 HA THR A 25 -9.690 -0.170 7.539 1.00 6.53 H new ATOM 0 HB THR A 25 -7.535 0.112 8.553 1.00 7.48 H new ATOM 0 HG1 THR A 25 -9.673 0.976 10.286 1.00 8.47 H new ATOM 0 HG21 THR A 25 -6.978 2.061 9.967 1.00 7.80 H new ATOM 0 HG22 THR A 25 -7.149 2.490 8.248 1.00 7.80 H new ATOM 0 HG23 THR A 25 -8.455 2.873 9.396 1.00 7.80 H new ATOM 22 N THR A 26 -11.391 1.906 7.095 1.00 6.02 N ATOM 23 CA THR A 26 -12.612 2.716 7.213 1.00 6.31 C ATOM 24 C THR A 26 -12.901 3.370 5.867 1.00 5.39 C ATOM 25 O THR A 26 -14.055 3.465 5.447 1.00 5.53 O ATOM 26 CB THR A 26 -12.522 3.788 8.322 1.00 7.29 C ATOM 27 OG1 THR A 26 -12.692 3.200 9.601 1.00 8.15 O ATOM 28 CG2 THR A 26 -13.562 4.890 8.208 1.00 7.65 C ATOM 0 H THR A 26 -11.284 1.480 6.174 1.00 6.02 H new ATOM 0 HA THR A 26 -13.426 2.050 7.499 1.00 6.31 H new ATOM 0 HB THR A 26 -11.533 4.228 8.197 1.00 7.29 H new ATOM 0 HG1 THR A 26 -11.828 2.874 9.929 1.00 8.15 H new ATOM 0 HG21 THR A 26 -13.430 5.601 9.024 1.00 7.65 H new ATOM 0 HG22 THR A 26 -13.443 5.405 7.255 1.00 7.65 H new ATOM 0 HG23 THR A 26 -14.560 4.455 8.264 1.00 7.65 H new ATOM 36 N GLU A 27 -11.840 3.805 5.187 1.00 4.70 N ATOM 37 CA GLU A 27 -11.983 4.438 3.884 1.00 4.20 C ATOM 38 C GLU A 27 -10.630 4.844 3.305 1.00 3.58 C ATOM 39 O GLU A 27 -9.625 4.883 4.011 1.00 4.09 O ATOM 40 CB GLU A 27 -12.896 5.665 3.983 1.00 4.98 C ATOM 41 CG GLU A 27 -13.521 6.073 2.658 1.00 5.26 C ATOM 42 CD GLU A 27 -14.572 7.154 2.819 1.00 5.33 C ATOM 43 OE1 GLU A 27 -15.752 6.807 3.032 1.00 5.98 O ATOM 44 OE2 GLU A 27 -14.214 8.348 2.733 1.00 5.00 O ATOM 0 H GLU A 27 -10.878 3.729 5.518 1.00 4.70 H new ATOM 0 HA GLU A 27 -12.433 3.707 3.212 1.00 4.20 H new ATOM 0 HB2 GLU A 27 -13.690 5.458 4.700 1.00 4.98 H new ATOM 0 HB3 GLU A 27 -12.321 6.503 4.376 1.00 4.98 H new ATOM 0 HG2 GLU A 27 -12.740 6.428 1.986 1.00 5.26 H new ATOM 0 HG3 GLU A 27 -13.973 5.199 2.189 1.00 5.26 H new ATOM 51 N ARG A 28 -10.626 5.146 2.010 1.00 2.88 N ATOM 52 CA ARG A 28 -9.416 5.560 1.310 1.00 2.50 C ATOM 53 C ARG A 28 -8.395 4.429 1.205 1.00 2.12 C ATOM 54 O ARG A 28 -7.216 4.636 1.461 1.00 2.47 O ATOM 55 CB ARG A 28 -8.780 6.766 2.006 1.00 3.36 C ATOM 56 CG ARG A 28 -9.670 7.999 2.022 1.00 4.15 C ATOM 57 CD ARG A 28 -8.928 9.211 2.564 1.00 5.14 C ATOM 58 NE ARG A 28 -9.743 10.421 2.513 1.00 5.84 N ATOM 59 CZ ARG A 28 -9.239 11.649 2.579 1.00 6.72 C ATOM 60 NH1 ARG A 28 -7.929 11.824 2.695 1.00 7.03 N ATOM 61 NH2 ARG A 28 -10.043 12.703 2.529 1.00 7.48 N ATOM 0 H ARG A 28 -11.457 5.111 1.420 1.00 2.88 H new ATOM 0 HA ARG A 28 -9.713 5.836 0.298 1.00 2.50 H new ATOM 0 HB2 ARG A 28 -8.532 6.494 3.032 1.00 3.36 H new ATOM 0 HB3 ARG A 28 -7.843 7.011 1.506 1.00 3.36 H new ATOM 0 HG2 ARG A 28 -10.023 8.208 1.012 1.00 4.15 H new ATOM 0 HG3 ARG A 28 -10.551 7.806 2.634 1.00 4.15 H new ATOM 0 HD2 ARG A 28 -8.627 9.020 3.594 1.00 5.14 H new ATOM 0 HD3 ARG A 28 -8.015 9.364 1.988 1.00 5.14 H new ATOM 0 HE ARG A 28 -10.754 10.319 2.422 1.00 5.84 H new ATOM 0 HH11 ARG A 28 -7.308 11.016 2.734 1.00 7.03 H new ATOM 0 HH12 ARG A 28 -7.543 12.767 2.746 1.00 7.03 H new ATOM 0 HH21 ARG A 28 -11.051 12.572 2.440 1.00 7.48 H new ATOM 0 HH22 ARG A 28 -9.654 13.644 2.580 1.00 7.48 H new ATOM 75 N PRO A 29 -8.830 3.225 0.798 1.00 1.75 N ATOM 76 CA PRO A 29 -7.934 2.069 0.633 1.00 1.73 C ATOM 77 C PRO A 29 -7.079 2.227 -0.636 1.00 1.12 C ATOM 78 O PRO A 29 -7.626 2.440 -1.711 1.00 0.97 O ATOM 79 CB PRO A 29 -8.931 0.906 0.534 1.00 2.28 C ATOM 80 CG PRO A 29 -10.125 1.507 -0.117 1.00 2.24 C ATOM 81 CD PRO A 29 -10.224 2.902 0.434 1.00 1.93 C ATOM 0 HA PRO A 29 -7.209 1.934 1.436 1.00 1.73 H new ATOM 0 HB2 PRO A 29 -8.527 0.083 -0.056 1.00 2.28 H new ATOM 0 HB3 PRO A 29 -9.173 0.504 1.518 1.00 2.28 H new ATOM 0 HG2 PRO A 29 -10.016 1.520 -1.201 1.00 2.24 H new ATOM 0 HG3 PRO A 29 -11.024 0.932 0.106 1.00 2.24 H new ATOM 0 HD2 PRO A 29 -10.618 3.599 -0.305 1.00 1.93 H new ATOM 0 HD3 PRO A 29 -10.886 2.947 1.299 1.00 1.93 H new ATOM 89 N ARG A 30 -5.740 2.161 -0.491 1.00 1.14 N ATOM 90 CA ARG A 30 -4.803 2.346 -1.614 1.00 0.83 C ATOM 91 C ARG A 30 -3.375 2.031 -1.187 1.00 0.77 C ATOM 92 O ARG A 30 -3.065 1.959 -0.002 1.00 1.19 O ATOM 93 CB ARG A 30 -4.819 3.794 -2.130 1.00 1.44 C ATOM 94 CG ARG A 30 -6.040 4.181 -2.947 1.00 2.12 C ATOM 95 CD ARG A 30 -7.021 5.000 -2.120 1.00 2.57 C ATOM 96 NE ARG A 30 -6.640 6.409 -2.066 1.00 3.02 N ATOM 97 CZ ARG A 30 -7.491 7.395 -1.802 1.00 3.70 C ATOM 98 NH1 ARG A 30 -8.768 7.129 -1.563 1.00 4.01 N ATOM 99 NH2 ARG A 30 -7.065 8.650 -1.776 1.00 4.42 N ATOM 0 H ARG A 30 -5.282 1.979 0.402 1.00 1.14 H new ATOM 0 HA ARG A 30 -5.128 1.666 -2.402 1.00 0.83 H new ATOM 0 HB2 ARG A 30 -4.746 4.467 -1.276 1.00 1.44 H new ATOM 0 HB3 ARG A 30 -3.929 3.955 -2.739 1.00 1.44 H new ATOM 0 HG2 ARG A 30 -5.729 4.755 -3.820 1.00 2.12 H new ATOM 0 HG3 ARG A 30 -6.534 3.282 -3.316 1.00 2.12 H new ATOM 0 HD2 ARG A 30 -8.020 4.910 -2.546 1.00 2.57 H new ATOM 0 HD3 ARG A 30 -7.069 4.597 -1.108 1.00 2.57 H new ATOM 0 HE ARG A 30 -5.664 6.650 -2.241 1.00 3.02 H new ATOM 0 HH11 ARG A 30 -9.100 6.165 -1.581 1.00 4.01 H new ATOM 0 HH12 ARG A 30 -9.418 7.889 -1.361 1.00 4.01 H new ATOM 0 HH21 ARG A 30 -6.084 8.859 -1.959 1.00 4.42 H new ATOM 0 HH22 ARG A 30 -7.719 9.406 -1.573 1.00 4.42 H new ATOM 113 N LEU A 31 -2.485 1.863 -2.138 1.00 0.67 N ATOM 114 CA LEU A 31 -1.107 1.615 -1.781 1.00 0.66 C ATOM 115 C LEU A 31 -0.558 2.873 -1.138 1.00 0.79 C ATOM 116 O LEU A 31 -0.831 3.972 -1.613 1.00 1.21 O ATOM 117 CB LEU A 31 -0.273 1.267 -2.991 1.00 0.92 C ATOM 118 CG LEU A 31 1.219 1.133 -2.682 1.00 0.91 C ATOM 119 CD1 LEU A 31 1.786 -0.131 -3.280 1.00 1.49 C ATOM 120 CD2 LEU A 31 2.002 2.345 -3.156 1.00 1.39 C ATOM 0 H LEU A 31 -2.682 1.892 -3.138 1.00 0.67 H new ATOM 0 HA LEU A 31 -1.064 0.768 -1.096 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -0.634 0.330 -3.415 1.00 0.92 H new ATOM 0 HB3 LEU A 31 -0.411 2.035 -3.752 1.00 0.92 H new ATOM 0 HG LEU A 31 1.319 1.076 -1.598 1.00 0.91 H new ATOM 0 HD11 LEU A 31 2.848 -0.200 -3.045 1.00 1.49 H new ATOM 0 HD12 LEU A 31 1.266 -0.995 -2.866 1.00 1.49 H new ATOM 0 HD13 LEU A 31 1.655 -0.112 -4.362 1.00 1.49 H new ATOM 0 HD21 LEU A 31 3.057 2.212 -2.918 1.00 1.39 H new ATOM 0 HD22 LEU A 31 1.884 2.456 -4.234 1.00 1.39 H new ATOM 0 HD23 LEU A 31 1.627 3.238 -2.656 1.00 1.39 H new ATOM 132 N SER A 32 0.190 2.731 -0.056 1.00 0.65 N ATOM 133 CA SER A 32 0.735 3.892 0.628 1.00 0.88 C ATOM 134 C SER A 32 2.245 4.007 0.458 1.00 0.67 C ATOM 135 O SER A 32 2.996 3.095 0.803 1.00 1.05 O ATOM 136 CB SER A 32 0.359 3.857 2.111 1.00 1.42 C ATOM 137 OG SER A 32 0.246 2.524 2.579 1.00 1.57 O ATOM 0 H SER A 32 0.432 1.833 0.364 1.00 0.65 H new ATOM 0 HA SER A 32 0.296 4.778 0.169 1.00 0.88 H new ATOM 0 HB2 SER A 32 1.113 4.387 2.693 1.00 1.42 H new ATOM 0 HB3 SER A 32 -0.586 4.380 2.262 1.00 1.42 H new ATOM 0 HG SER A 32 -0.413 2.486 3.304 1.00 1.57 H new ATOM 143 N VAL A 33 2.677 5.157 -0.055 1.00 0.65 N ATOM 144 CA VAL A 33 4.089 5.434 -0.253 1.00 0.78 C ATOM 145 C VAL A 33 4.480 6.661 0.556 1.00 0.74 C ATOM 146 O VAL A 33 4.171 7.790 0.174 1.00 1.28 O ATOM 147 CB VAL A 33 4.403 5.709 -1.727 1.00 1.59 C ATOM 148 CG1 VAL A 33 4.317 4.429 -2.541 1.00 2.53 C ATOM 149 CG2 VAL A 33 3.461 6.765 -2.275 1.00 2.05 C ATOM 0 H VAL A 33 2.059 5.916 -0.342 1.00 0.65 H new ATOM 0 HA VAL A 33 4.651 4.558 0.071 1.00 0.78 H new ATOM 0 HB VAL A 33 5.423 6.086 -1.802 1.00 1.59 H new ATOM 0 HG11 VAL A 33 4.543 4.646 -3.585 1.00 2.53 H new ATOM 0 HG12 VAL A 33 5.035 3.705 -2.157 1.00 2.53 H new ATOM 0 HG13 VAL A 33 3.311 4.017 -2.466 1.00 2.53 H new ATOM 0 HG21 VAL A 33 3.694 6.952 -3.323 1.00 2.05 H new ATOM 0 HG22 VAL A 33 2.432 6.415 -2.189 1.00 2.05 H new ATOM 0 HG23 VAL A 33 3.579 7.688 -1.707 1.00 2.05 H new ATOM 159 N PHE A 34 5.147 6.446 1.675 1.00 0.53 N ATOM 160 CA PHE A 34 5.555 7.553 2.528 1.00 0.78 C ATOM 161 C PHE A 34 6.944 7.336 3.092 1.00 0.52 C ATOM 162 O PHE A 34 7.448 6.220 3.095 1.00 0.90 O ATOM 163 CB PHE A 34 4.557 7.744 3.667 1.00 1.43 C ATOM 164 CG PHE A 34 4.164 6.466 4.331 1.00 1.74 C ATOM 165 CD1 PHE A 34 3.462 5.501 3.633 1.00 1.73 C ATOM 166 CD2 PHE A 34 4.490 6.232 5.656 1.00 2.51 C ATOM 167 CE1 PHE A 34 3.094 4.321 4.246 1.00 2.58 C ATOM 168 CE2 PHE A 34 4.126 5.053 6.275 1.00 3.37 C ATOM 169 CZ PHE A 34 3.426 4.096 5.569 1.00 3.43 C ATOM 0 H PHE A 34 5.417 5.523 2.015 1.00 0.53 H new ATOM 0 HA PHE A 34 5.575 8.452 1.913 1.00 0.78 H new ATOM 0 HB2 PHE A 34 4.989 8.413 4.411 1.00 1.43 H new ATOM 0 HB3 PHE A 34 3.663 8.233 3.279 1.00 1.43 H new ATOM 0 HD1 PHE A 34 3.200 5.672 2.599 1.00 1.73 H new ATOM 0 HD2 PHE A 34 5.035 6.980 6.212 1.00 2.51 H new ATOM 0 HE1 PHE A 34 2.546 3.573 3.692 1.00 2.58 H new ATOM 0 HE2 PHE A 34 4.388 4.880 7.308 1.00 3.37 H new ATOM 0 HZ PHE A 34 3.138 3.173 6.049 1.00 3.43 H new ATOM 179 N ARG A 35 7.542 8.402 3.604 1.00 0.77 N ATOM 180 CA ARG A 35 8.859 8.307 4.211 1.00 0.81 C ATOM 181 C ARG A 35 8.709 8.215 5.723 1.00 0.85 C ATOM 182 O ARG A 35 8.338 9.187 6.381 1.00 1.32 O ATOM 183 CB ARG A 35 9.709 9.523 3.835 1.00 1.41 C ATOM 184 CG ARG A 35 9.130 10.839 4.328 1.00 2.08 C ATOM 185 CD ARG A 35 9.745 12.029 3.609 1.00 2.72 C ATOM 186 NE ARG A 35 11.194 12.084 3.778 1.00 3.21 N ATOM 187 CZ ARG A 35 11.973 12.965 3.158 1.00 3.85 C ATOM 188 NH1 ARG A 35 11.441 13.860 2.336 1.00 4.13 N ATOM 189 NH2 ARG A 35 13.282 12.952 3.358 1.00 4.60 N ATOM 0 H ARG A 35 7.137 9.338 3.611 1.00 0.77 H new ATOM 0 HA ARG A 35 9.362 7.413 3.842 1.00 0.81 H new ATOM 0 HB2 ARG A 35 10.711 9.398 4.246 1.00 1.41 H new ATOM 0 HB3 ARG A 35 9.813 9.564 2.751 1.00 1.41 H new ATOM 0 HG2 ARG A 35 8.051 10.841 4.177 1.00 2.08 H new ATOM 0 HG3 ARG A 35 9.302 10.933 5.400 1.00 2.08 H new ATOM 0 HD2 ARG A 35 9.506 11.973 2.547 1.00 2.72 H new ATOM 0 HD3 ARG A 35 9.301 12.950 3.988 1.00 2.72 H new ATOM 0 HE ARG A 35 11.632 11.410 4.406 1.00 3.21 H new ATOM 0 HH11 ARG A 35 10.433 13.873 2.179 1.00 4.13 H new ATOM 0 HH12 ARG A 35 12.040 14.535 1.861 1.00 4.13 H new ATOM 0 HH21 ARG A 35 13.695 12.265 3.989 1.00 4.60 H new ATOM 0 HH22 ARG A 35 13.878 13.629 2.881 1.00 4.60 H new ATOM 203 N SER A 36 8.989 7.038 6.267 1.00 0.55 N ATOM 204 CA SER A 36 8.873 6.812 7.695 1.00 0.74 C ATOM 205 C SER A 36 10.073 7.381 8.442 1.00 0.79 C ATOM 206 O SER A 36 11.017 6.659 8.760 1.00 1.07 O ATOM 207 CB SER A 36 8.748 5.313 7.968 1.00 0.84 C ATOM 208 OG SER A 36 7.401 4.887 7.872 1.00 1.50 O ATOM 0 H SER A 36 9.299 6.224 5.736 1.00 0.55 H new ATOM 0 HA SER A 36 7.980 7.325 8.054 1.00 0.74 H new ATOM 0 HB2 SER A 36 9.359 4.759 7.256 1.00 0.84 H new ATOM 0 HB3 SER A 36 9.134 5.088 8.962 1.00 0.84 H new ATOM 0 HG SER A 36 7.354 3.918 8.010 1.00 1.50 H new ATOM 214 N ASN A 37 10.014 8.680 8.726 1.00 1.08 N ATOM 215 CA ASN A 37 11.076 9.384 9.450 1.00 1.18 C ATOM 216 C ASN A 37 12.468 8.850 9.107 1.00 1.17 C ATOM 217 O ASN A 37 12.985 7.975 9.795 1.00 1.97 O ATOM 218 CB ASN A 37 10.840 9.278 10.956 1.00 1.30 C ATOM 219 CG ASN A 37 11.671 10.273 11.740 1.00 1.89 C ATOM 220 OD1 ASN A 37 12.780 9.968 12.177 1.00 2.57 O ATOM 221 ND2 ASN A 37 11.136 11.475 11.920 1.00 2.42 N ATOM 0 H ASN A 37 9.230 9.276 8.462 1.00 1.08 H new ATOM 0 HA ASN A 37 11.040 10.428 9.139 1.00 1.18 H new ATOM 0 HB2 ASN A 37 9.784 9.443 11.168 1.00 1.30 H new ATOM 0 HB3 ASN A 37 11.078 8.268 11.289 1.00 1.30 H new ATOM 0 HD21 ASN A 37 11.648 12.189 12.438 1.00 2.42 H new ATOM 0 HD22 ASN A 37 10.213 11.685 11.540 1.00 2.42 H new ATOM 228 N LYS A 38 13.067 9.405 8.050 1.00 0.96 N ATOM 229 CA LYS A 38 14.414 9.023 7.600 1.00 0.85 C ATOM 230 C LYS A 38 14.405 7.814 6.660 1.00 0.75 C ATOM 231 O LYS A 38 15.256 7.714 5.776 1.00 1.11 O ATOM 232 CB LYS A 38 15.343 8.741 8.788 1.00 0.86 C ATOM 233 CG LYS A 38 15.338 9.839 9.840 1.00 1.05 C ATOM 234 CD LYS A 38 16.126 9.434 11.077 1.00 1.75 C ATOM 235 CE LYS A 38 16.095 10.524 12.135 1.00 2.20 C ATOM 236 NZ LYS A 38 16.795 11.759 11.683 1.00 2.60 N ATOM 0 H LYS A 38 12.634 10.132 7.480 1.00 0.96 H new ATOM 0 HA LYS A 38 14.793 9.878 7.041 1.00 0.85 H new ATOM 0 HB2 LYS A 38 15.047 7.801 9.254 1.00 0.86 H new ATOM 0 HB3 LYS A 38 16.360 8.608 8.419 1.00 0.86 H new ATOM 0 HG2 LYS A 38 15.764 10.749 9.418 1.00 1.05 H new ATOM 0 HG3 LYS A 38 14.310 10.069 10.122 1.00 1.05 H new ATOM 0 HD2 LYS A 38 15.712 8.513 11.489 1.00 1.75 H new ATOM 0 HD3 LYS A 38 17.159 9.223 10.800 1.00 1.75 H new ATOM 0 HE2 LYS A 38 15.060 10.763 12.380 1.00 2.20 H new ATOM 0 HE3 LYS A 38 16.562 10.156 13.049 1.00 2.20 H new ATOM 0 HZ1 LYS A 38 16.915 12.405 12.489 1.00 2.60 H new ATOM 0 HZ2 LYS A 38 17.728 11.508 11.298 1.00 2.60 H new ATOM 0 HZ3 LYS A 38 16.231 12.227 10.945 1.00 2.60 H new ATOM 250 N HIS A 39 13.465 6.890 6.849 1.00 0.56 N ATOM 251 CA HIS A 39 13.406 5.699 5.999 1.00 0.60 C ATOM 252 C HIS A 39 12.188 5.716 5.081 1.00 0.52 C ATOM 253 O HIS A 39 11.060 5.880 5.530 1.00 0.67 O ATOM 254 CB HIS A 39 13.387 4.424 6.848 1.00 0.80 C ATOM 255 CG HIS A 39 14.398 4.422 7.952 1.00 1.26 C ATOM 256 ND1 HIS A 39 15.408 3.488 8.044 1.00 1.26 N ATOM 257 CD2 HIS A 39 14.551 5.244 9.016 1.00 1.99 C ATOM 258 CE1 HIS A 39 16.138 3.736 9.117 1.00 1.96 C ATOM 259 NE2 HIS A 39 15.640 4.796 9.723 1.00 2.40 N ATOM 0 H HIS A 39 12.745 6.939 7.570 1.00 0.56 H new ATOM 0 HA HIS A 39 14.303 5.708 5.379 1.00 0.60 H new ATOM 0 HB2 HIS A 39 12.393 4.298 7.277 1.00 0.80 H new ATOM 0 HB3 HIS A 39 13.566 3.565 6.202 1.00 0.80 H new ATOM 0 HD2 HIS A 39 13.932 6.094 9.263 1.00 1.99 H new ATOM 0 HE1 HIS A 39 16.997 3.167 9.442 1.00 1.96 H new ATOM 0 HE2 HIS A 39 16.005 5.215 10.578 1.00 2.40 H new ATOM 268 N ILE A 40 12.436 5.513 3.793 1.00 0.50 N ATOM 269 CA ILE A 40 11.370 5.473 2.791 1.00 0.51 C ATOM 270 C ILE A 40 10.461 4.280 3.063 1.00 0.46 C ATOM 271 O ILE A 40 10.830 3.148 2.757 1.00 0.68 O ATOM 272 CB ILE A 40 11.949 5.324 1.367 1.00 0.60 C ATOM 273 CG1 ILE A 40 13.273 6.086 1.216 1.00 1.21 C ATOM 274 CG2 ILE A 40 10.944 5.805 0.341 1.00 1.29 C ATOM 275 CD1 ILE A 40 13.234 7.495 1.770 1.00 2.23 C ATOM 0 H ILE A 40 13.372 5.372 3.413 1.00 0.50 H new ATOM 0 HA ILE A 40 10.814 6.408 2.856 1.00 0.51 H new ATOM 0 HB ILE A 40 12.153 4.267 1.197 1.00 0.60 H new ATOM 0 HG12 ILE A 40 14.062 5.529 1.721 1.00 1.21 H new ATOM 0 HG13 ILE A 40 13.539 6.128 0.160 1.00 1.21 H new ATOM 0 HG21 ILE A 40 11.364 5.695 -0.659 1.00 1.29 H new ATOM 0 HG22 ILE A 40 10.032 5.213 0.419 1.00 1.29 H new ATOM 0 HG23 ILE A 40 10.712 6.854 0.523 1.00 1.29 H new ATOM 0 HD11 ILE A 40 14.205 7.969 1.627 1.00 2.23 H new ATOM 0 HD12 ILE A 40 12.469 8.070 1.248 1.00 2.23 H new ATOM 0 HD13 ILE A 40 13.000 7.461 2.834 1.00 2.23 H new ATOM 287 N TYR A 41 9.289 4.510 3.664 1.00 0.36 N ATOM 288 CA TYR A 41 8.403 3.405 3.982 1.00 0.31 C ATOM 289 C TYR A 41 7.533 2.958 2.836 1.00 0.36 C ATOM 290 O TYR A 41 6.883 3.761 2.164 1.00 0.46 O ATOM 291 CB TYR A 41 7.526 3.673 5.181 1.00 0.31 C ATOM 292 CG TYR A 41 7.231 2.386 5.917 1.00 0.33 C ATOM 293 CD1 TYR A 41 6.427 1.389 5.352 1.00 0.30 C ATOM 294 CD2 TYR A 41 7.783 2.150 7.167 1.00 0.48 C ATOM 295 CE1 TYR A 41 6.185 0.210 6.028 1.00 0.38 C ATOM 296 CE2 TYR A 41 7.544 0.973 7.843 1.00 0.57 C ATOM 297 CZ TYR A 41 6.745 0.006 7.271 1.00 0.53 C ATOM 298 OH TYR A 41 6.504 -1.169 7.945 1.00 0.63 O ATOM 0 H TYR A 41 8.945 5.432 3.932 1.00 0.36 H new ATOM 0 HA TYR A 41 9.094 2.595 4.216 1.00 0.31 H new ATOM 0 HB2 TYR A 41 8.020 4.377 5.851 1.00 0.31 H new ATOM 0 HB3 TYR A 41 6.594 4.138 4.861 1.00 0.31 H new ATOM 0 HD1 TYR A 41 5.991 1.544 4.376 1.00 0.30 H new ATOM 0 HD2 TYR A 41 8.412 2.903 7.619 1.00 0.48 H new ATOM 0 HE1 TYR A 41 5.559 -0.550 5.584 1.00 0.38 H new ATOM 0 HE2 TYR A 41 7.981 0.809 8.817 1.00 0.57 H new ATOM 0 HH TYR A 41 6.973 -1.155 8.806 1.00 0.63 H new ATOM 308 N ALA A 42 7.501 1.641 2.655 1.00 0.47 N ATOM 309 CA ALA A 42 6.685 1.040 1.634 1.00 0.60 C ATOM 310 C ALA A 42 5.481 0.385 2.288 1.00 0.48 C ATOM 311 O ALA A 42 5.624 -0.316 3.291 1.00 0.57 O ATOM 312 CB ALA A 42 7.493 0.017 0.863 1.00 0.92 C ATOM 0 H ALA A 42 8.038 0.976 3.211 1.00 0.47 H new ATOM 0 HA ALA A 42 6.344 1.803 0.935 1.00 0.60 H new ATOM 0 HB1 ALA A 42 6.868 -0.434 0.092 1.00 0.92 H new ATOM 0 HB2 ALA A 42 8.349 0.505 0.397 1.00 0.92 H new ATOM 0 HB3 ALA A 42 7.844 -0.758 1.544 1.00 0.92 H new ATOM 318 N GLN A 43 4.302 0.623 1.734 1.00 0.45 N ATOM 319 CA GLN A 43 3.081 0.059 2.276 1.00 0.39 C ATOM 320 C GLN A 43 2.064 -0.117 1.161 1.00 0.40 C ATOM 321 O GLN A 43 1.848 0.804 0.393 1.00 0.51 O ATOM 322 CB GLN A 43 2.518 0.969 3.350 1.00 0.39 C ATOM 323 CG GLN A 43 1.266 0.429 4.020 1.00 0.99 C ATOM 324 CD GLN A 43 1.543 -0.790 4.880 1.00 1.33 C ATOM 325 OE1 GLN A 43 2.458 -1.565 4.604 1.00 2.05 O ATOM 326 NE2 GLN A 43 0.753 -0.962 5.933 1.00 1.85 N ATOM 0 H GLN A 43 4.168 1.205 0.907 1.00 0.45 H new ATOM 0 HA GLN A 43 3.302 -0.912 2.720 1.00 0.39 H new ATOM 0 HB2 GLN A 43 3.282 1.134 4.110 1.00 0.39 H new ATOM 0 HB3 GLN A 43 2.292 1.940 2.908 1.00 0.39 H new ATOM 0 HG2 GLN A 43 0.823 1.211 4.637 1.00 0.99 H new ATOM 0 HG3 GLN A 43 0.532 0.171 3.256 1.00 0.99 H new ATOM 0 HE21 GLN A 43 0.006 -0.294 6.125 1.00 1.85 H new ATOM 0 HE22 GLN A 43 0.893 -1.762 6.550 1.00 1.85 H new ATOM 335 N ILE A 44 1.434 -1.283 1.074 1.00 0.43 N ATOM 336 CA ILE A 44 0.436 -1.518 0.034 1.00 0.45 C ATOM 337 C ILE A 44 -0.872 -1.944 0.657 1.00 0.48 C ATOM 338 O ILE A 44 -1.071 -3.129 0.910 1.00 0.60 O ATOM 339 CB ILE A 44 0.841 -2.623 -0.982 1.00 0.49 C ATOM 340 CG1 ILE A 44 2.374 -2.748 -1.074 1.00 0.65 C ATOM 341 CG2 ILE A 44 0.190 -2.360 -2.359 1.00 0.51 C ATOM 342 CD1 ILE A 44 2.866 -3.500 -2.294 1.00 0.86 C ATOM 0 H ILE A 44 1.592 -2.072 1.701 1.00 0.43 H new ATOM 0 HA ILE A 44 0.348 -0.573 -0.501 1.00 0.45 H new ATOM 0 HB ILE A 44 0.465 -3.582 -0.626 1.00 0.49 H new ATOM 0 HG12 ILE A 44 2.809 -1.748 -1.078 1.00 0.65 H new ATOM 0 HG13 ILE A 44 2.740 -3.251 -0.179 1.00 0.65 H new ATOM 0 HG21 ILE A 44 0.485 -3.144 -3.057 1.00 0.51 H new ATOM 0 HG22 ILE A 44 -0.895 -2.357 -2.254 1.00 0.51 H new ATOM 0 HG23 ILE A 44 0.520 -1.393 -2.739 1.00 0.51 H new ATOM 0 HD11 ILE A 44 3.955 -3.542 -2.281 1.00 0.86 H new ATOM 0 HD12 ILE A 44 2.464 -4.513 -2.284 1.00 0.86 H new ATOM 0 HD13 ILE A 44 2.533 -2.987 -3.196 1.00 0.86 H new ATOM 354 N ILE A 45 -1.788 -1.002 0.870 1.00 0.52 N ATOM 355 CA ILE A 45 -3.080 -1.375 1.405 1.00 0.56 C ATOM 356 C ILE A 45 -4.060 -1.304 0.264 1.00 0.54 C ATOM 357 O ILE A 45 -4.152 -0.295 -0.427 1.00 0.63 O ATOM 358 CB ILE A 45 -3.525 -0.541 2.631 1.00 0.69 C ATOM 359 CG1 ILE A 45 -4.934 -0.947 3.108 1.00 0.76 C ATOM 360 CG2 ILE A 45 -3.430 0.954 2.375 1.00 0.82 C ATOM 361 CD1 ILE A 45 -6.062 -0.606 2.154 1.00 1.19 C ATOM 0 H ILE A 45 -1.660 -0.007 0.685 1.00 0.52 H new ATOM 0 HA ILE A 45 -3.025 -2.387 1.807 1.00 0.56 H new ATOM 0 HB ILE A 45 -2.827 -0.766 3.437 1.00 0.69 H new ATOM 0 HG12 ILE A 45 -4.944 -2.022 3.287 1.00 0.76 H new ATOM 0 HG13 ILE A 45 -5.130 -0.463 4.065 1.00 0.76 H new ATOM 0 HG21 ILE A 45 -3.753 1.497 3.264 1.00 0.82 H new ATOM 0 HG22 ILE A 45 -2.398 1.219 2.143 1.00 0.82 H new ATOM 0 HG23 ILE A 45 -4.071 1.221 1.535 1.00 0.82 H new ATOM 0 HD11 ILE A 45 -7.011 -0.932 2.581 1.00 1.19 H new ATOM 0 HD12 ILE A 45 -6.088 0.472 1.992 1.00 1.19 H new ATOM 0 HD13 ILE A 45 -5.899 -1.112 1.202 1.00 1.19 H new ATOM 373 N ASP A 46 -4.736 -2.409 0.023 1.00 0.53 N ATOM 374 CA ASP A 46 -5.633 -2.500 -1.122 1.00 0.59 C ATOM 375 C ASP A 46 -6.530 -1.276 -1.288 1.00 0.59 C ATOM 376 O ASP A 46 -6.538 -0.377 -0.457 1.00 0.62 O ATOM 377 CB ASP A 46 -6.492 -3.761 -1.042 1.00 0.68 C ATOM 378 CG ASP A 46 -6.928 -4.076 0.375 1.00 0.66 C ATOM 379 OD1 ASP A 46 -6.049 -4.344 1.221 1.00 0.89 O ATOM 380 OD2 ASP A 46 -8.147 -4.054 0.639 1.00 0.74 O ATOM 0 H ASP A 46 -4.686 -3.252 0.596 1.00 0.53 H new ATOM 0 HA ASP A 46 -4.989 -2.547 -2.000 1.00 0.59 H new ATOM 0 HB2 ASP A 46 -7.373 -3.637 -1.671 1.00 0.68 H new ATOM 0 HB3 ASP A 46 -5.931 -4.605 -1.442 1.00 0.68 H new ATOM 385 N ASP A 47 -7.258 -1.257 -2.408 1.00 0.86 N ATOM 386 CA ASP A 47 -8.151 -0.164 -2.758 1.00 0.96 C ATOM 387 C ASP A 47 -9.473 -0.731 -3.291 1.00 1.01 C ATOM 388 O ASP A 47 -10.274 -1.263 -2.520 1.00 0.96 O ATOM 389 CB ASP A 47 -7.472 0.770 -3.781 1.00 1.17 C ATOM 390 CG ASP A 47 -8.384 1.892 -4.245 1.00 1.66 C ATOM 391 OD1 ASP A 47 -9.585 1.861 -3.907 1.00 1.96 O ATOM 392 OD2 ASP A 47 -7.895 2.802 -4.946 1.00 2.45 O ATOM 0 H ASP A 47 -7.240 -2.008 -3.098 1.00 0.86 H new ATOM 0 HA ASP A 47 -8.373 0.430 -1.871 1.00 0.96 H new ATOM 0 HB2 ASP A 47 -6.574 1.198 -3.336 1.00 1.17 H new ATOM 0 HB3 ASP A 47 -7.153 0.186 -4.644 1.00 1.17 H new ATOM 397 N THR A 48 -9.699 -0.647 -4.602 1.00 1.33 N ATOM 398 CA THR A 48 -10.913 -1.181 -5.201 1.00 1.52 C ATOM 399 C THR A 48 -10.637 -2.551 -5.808 1.00 1.57 C ATOM 400 O THR A 48 -11.521 -3.404 -5.888 1.00 1.64 O ATOM 401 CB THR A 48 -11.431 -0.226 -6.276 1.00 1.97 C ATOM 402 OG1 THR A 48 -10.614 -0.284 -7.433 1.00 2.28 O ATOM 403 CG2 THR A 48 -11.474 1.216 -5.821 1.00 2.12 C ATOM 0 H THR A 48 -9.056 -0.214 -5.265 1.00 1.33 H new ATOM 0 HA THR A 48 -11.673 -1.285 -4.426 1.00 1.52 H new ATOM 0 HB THR A 48 -12.447 -0.556 -6.491 1.00 1.97 H new ATOM 0 HG1 THR A 48 -10.962 0.333 -8.111 1.00 2.28 H new ATOM 0 HG21 THR A 48 -11.851 1.842 -6.630 1.00 2.12 H new ATOM 0 HG22 THR A 48 -12.132 1.305 -4.957 1.00 2.12 H new ATOM 0 HG23 THR A 48 -10.470 1.541 -5.548 1.00 2.12 H new ATOM 411 N LYS A 49 -9.397 -2.734 -6.249 1.00 1.64 N ATOM 412 CA LYS A 49 -8.948 -3.956 -6.872 1.00 1.82 C ATOM 413 C LYS A 49 -7.432 -3.971 -6.806 1.00 2.06 C ATOM 414 O LYS A 49 -6.759 -4.471 -7.707 1.00 2.71 O ATOM 415 CB LYS A 49 -9.379 -3.959 -8.333 1.00 2.07 C ATOM 416 CG LYS A 49 -10.820 -3.529 -8.562 1.00 2.73 C ATOM 417 CD LYS A 49 -11.181 -3.548 -10.040 1.00 3.33 C ATOM 418 CE LYS A 49 -12.561 -2.958 -10.283 1.00 3.64 C ATOM 419 NZ LYS A 49 -12.950 -3.027 -11.719 1.00 4.26 N ATOM 0 H LYS A 49 -8.671 -2.021 -6.179 1.00 1.64 H new ATOM 0 HA LYS A 49 -9.370 -4.826 -6.368 1.00 1.82 H new ATOM 0 HB2 LYS A 49 -8.721 -3.296 -8.895 1.00 2.07 H new ATOM 0 HB3 LYS A 49 -9.243 -4.962 -8.738 1.00 2.07 H new ATOM 0 HG2 LYS A 49 -11.490 -4.192 -8.015 1.00 2.73 H new ATOM 0 HG3 LYS A 49 -10.969 -2.526 -8.163 1.00 2.73 H new ATOM 0 HD2 LYS A 49 -10.438 -2.984 -10.604 1.00 3.33 H new ATOM 0 HD3 LYS A 49 -11.152 -4.573 -10.410 1.00 3.33 H new ATOM 0 HE2 LYS A 49 -13.296 -3.494 -9.682 1.00 3.64 H new ATOM 0 HE3 LYS A 49 -12.575 -1.919 -9.953 1.00 3.64 H new ATOM 0 HZ1 LYS A 49 -13.897 -2.615 -11.842 1.00 4.26 H new ATOM 0 HZ2 LYS A 49 -12.263 -2.495 -12.291 1.00 4.26 H new ATOM 0 HZ3 LYS A 49 -12.962 -4.020 -12.028 1.00 4.26 H new ATOM 433 N SER A 50 -6.904 -3.356 -5.753 1.00 1.82 N ATOM 434 CA SER A 50 -5.478 -3.226 -5.587 1.00 2.14 C ATOM 435 C SER A 50 -4.765 -4.558 -5.502 1.00 1.89 C ATOM 436 O SER A 50 -4.348 -5.091 -6.520 1.00 2.60 O ATOM 437 CB SER A 50 -5.156 -2.402 -4.360 1.00 2.65 C ATOM 438 OG SER A 50 -5.501 -1.047 -4.537 1.00 3.31 O ATOM 0 H SER A 50 -7.455 -2.940 -5.002 1.00 1.82 H new ATOM 0 HA SER A 50 -5.115 -2.720 -6.481 1.00 2.14 H new ATOM 0 HB2 SER A 50 -5.692 -2.805 -3.500 1.00 2.65 H new ATOM 0 HB3 SER A 50 -4.092 -2.481 -4.138 1.00 2.65 H new ATOM 0 HG SER A 50 -5.685 -0.877 -5.485 1.00 3.31 H new ATOM 444 N ALA A 51 -4.553 -5.078 -4.282 1.00 1.33 N ATOM 445 CA ALA A 51 -3.803 -6.318 -4.129 1.00 1.15 C ATOM 446 C ALA A 51 -3.491 -6.649 -2.675 1.00 1.13 C ATOM 447 O ALA A 51 -4.250 -7.354 -2.009 1.00 1.56 O ATOM 448 CB ALA A 51 -2.542 -6.186 -4.946 1.00 1.20 C ATOM 0 H ALA A 51 -4.885 -4.665 -3.411 1.00 1.33 H new ATOM 0 HA ALA A 51 -4.410 -7.150 -4.484 1.00 1.15 H new ATOM 0 HB1 ALA A 51 -1.953 -7.099 -4.856 1.00 1.20 H new ATOM 0 HB2 ALA A 51 -2.802 -6.024 -5.992 1.00 1.20 H new ATOM 0 HB3 ALA A 51 -1.959 -5.340 -4.581 1.00 1.20 H new ATOM 454 N THR A 52 -2.362 -6.170 -2.203 1.00 1.05 N ATOM 455 CA THR A 52 -1.917 -6.438 -0.848 1.00 1.07 C ATOM 456 C THR A 52 -2.426 -5.425 0.149 1.00 0.91 C ATOM 457 O THR A 52 -2.780 -4.300 -0.201 1.00 1.28 O ATOM 458 CB THR A 52 -0.393 -6.530 -0.788 1.00 1.64 C ATOM 459 OG1 THR A 52 0.203 -5.496 -1.548 1.00 2.30 O ATOM 460 CG2 THR A 52 0.145 -7.845 -1.302 1.00 2.34 C ATOM 0 H THR A 52 -1.725 -5.585 -2.744 1.00 1.05 H new ATOM 0 HA THR A 52 -2.345 -7.400 -0.565 1.00 1.07 H new ATOM 0 HB THR A 52 -0.139 -6.439 0.268 1.00 1.64 H new ATOM 0 HG1 THR A 52 -0.455 -4.789 -1.711 1.00 2.30 H new ATOM 0 HG21 THR A 52 1.233 -7.845 -1.232 1.00 2.34 H new ATOM 0 HG22 THR A 52 -0.257 -8.662 -0.703 1.00 2.34 H new ATOM 0 HG23 THR A 52 -0.152 -7.978 -2.342 1.00 2.34 H new ATOM 468 N ILE A 53 -2.474 -5.866 1.399 1.00 1.13 N ATOM 469 CA ILE A 53 -2.938 -5.042 2.496 1.00 1.60 C ATOM 470 C ILE A 53 -1.761 -4.509 3.321 1.00 1.49 C ATOM 471 O ILE A 53 -1.966 -3.875 4.355 1.00 2.03 O ATOM 472 CB ILE A 53 -3.879 -5.835 3.428 1.00 2.38 C ATOM 473 CG1 ILE A 53 -4.746 -6.810 2.623 1.00 2.64 C ATOM 474 CG2 ILE A 53 -4.755 -4.883 4.229 1.00 3.14 C ATOM 475 CD1 ILE A 53 -5.802 -7.510 3.452 1.00 2.95 C ATOM 0 H ILE A 53 -2.191 -6.806 1.676 1.00 1.13 H new ATOM 0 HA ILE A 53 -3.483 -4.205 2.058 1.00 1.60 H new ATOM 0 HB ILE A 53 -3.268 -6.414 4.121 1.00 2.38 H new ATOM 0 HG12 ILE A 53 -5.233 -6.266 1.814 1.00 2.64 H new ATOM 0 HG13 ILE A 53 -4.103 -7.559 2.162 1.00 2.64 H new ATOM 0 HG21 ILE A 53 -5.413 -5.456 4.882 1.00 3.14 H new ATOM 0 HG22 ILE A 53 -4.125 -4.230 4.832 1.00 3.14 H new ATOM 0 HG23 ILE A 53 -5.355 -4.280 3.547 1.00 3.14 H new ATOM 0 HD11 ILE A 53 -6.376 -8.184 2.816 1.00 2.95 H new ATOM 0 HD12 ILE A 53 -5.321 -8.082 4.246 1.00 2.95 H new ATOM 0 HD13 ILE A 53 -6.469 -6.769 3.892 1.00 2.95 H new ATOM 487 N VAL A 54 -0.523 -4.772 2.867 1.00 0.90 N ATOM 488 CA VAL A 54 0.665 -4.318 3.588 1.00 0.93 C ATOM 489 C VAL A 54 1.895 -4.251 2.672 1.00 0.65 C ATOM 490 O VAL A 54 1.780 -4.371 1.454 1.00 0.59 O ATOM 491 CB VAL A 54 0.973 -5.254 4.778 1.00 1.31 C ATOM 492 CG1 VAL A 54 -0.227 -5.362 5.705 1.00 1.86 C ATOM 493 CG2 VAL A 54 1.392 -6.630 4.282 1.00 2.03 C ATOM 0 H VAL A 54 -0.326 -5.292 2.012 1.00 0.90 H new ATOM 0 HA VAL A 54 0.449 -3.315 3.955 1.00 0.93 H new ATOM 0 HB VAL A 54 1.801 -4.825 5.343 1.00 1.31 H new ATOM 0 HG11 VAL A 54 0.013 -6.026 6.535 1.00 1.86 H new ATOM 0 HG12 VAL A 54 -0.478 -4.374 6.091 1.00 1.86 H new ATOM 0 HG13 VAL A 54 -1.078 -5.763 5.154 1.00 1.86 H new ATOM 0 HG21 VAL A 54 1.605 -7.275 5.135 1.00 2.03 H new ATOM 0 HG22 VAL A 54 0.586 -7.065 3.691 1.00 2.03 H new ATOM 0 HG23 VAL A 54 2.286 -6.538 3.665 1.00 2.03 H new ATOM 503 N SER A 55 3.066 -4.062 3.282 1.00 0.71 N ATOM 504 CA SER A 55 4.340 -3.984 2.563 1.00 0.61 C ATOM 505 C SER A 55 5.481 -4.001 3.579 1.00 0.71 C ATOM 506 O SER A 55 5.443 -4.790 4.523 1.00 0.96 O ATOM 507 CB SER A 55 4.389 -2.736 1.680 1.00 0.64 C ATOM 508 OG SER A 55 5.156 -2.952 0.511 1.00 1.38 O ATOM 0 H SER A 55 3.159 -3.958 4.292 1.00 0.71 H new ATOM 0 HA SER A 55 4.444 -4.844 1.901 1.00 0.61 H new ATOM 0 HB2 SER A 55 3.375 -2.447 1.402 1.00 0.64 H new ATOM 0 HB3 SER A 55 4.813 -1.906 2.246 1.00 0.64 H new ATOM 0 HG SER A 55 5.988 -2.436 0.565 1.00 1.38 H new ATOM 514 N ALA A 56 6.496 -3.154 3.414 1.00 0.63 N ATOM 515 CA ALA A 56 7.596 -3.157 4.375 1.00 0.77 C ATOM 516 C ALA A 56 8.597 -2.021 4.206 1.00 0.58 C ATOM 517 O ALA A 56 8.768 -1.438 3.129 1.00 0.59 O ATOM 518 CB ALA A 56 8.342 -4.473 4.302 1.00 1.17 C ATOM 0 H ALA A 56 6.580 -2.480 2.653 1.00 0.63 H new ATOM 0 HA ALA A 56 7.124 -3.013 5.347 1.00 0.77 H new ATOM 0 HB1 ALA A 56 9.161 -4.468 5.022 1.00 1.17 H new ATOM 0 HB2 ALA A 56 7.660 -5.291 4.534 1.00 1.17 H new ATOM 0 HB3 ALA A 56 8.743 -4.609 3.297 1.00 1.17 H new ATOM 524 N SER A 57 9.270 -1.744 5.314 1.00 0.52 N ATOM 525 CA SER A 57 10.315 -0.745 5.380 1.00 0.47 C ATOM 526 C SER A 57 11.071 -0.876 6.681 1.00 0.59 C ATOM 527 O SER A 57 10.924 -1.877 7.373 1.00 0.87 O ATOM 528 CB SER A 57 9.780 0.641 5.167 1.00 0.51 C ATOM 529 OG SER A 57 10.263 1.131 3.933 1.00 1.46 O ATOM 0 H SER A 57 9.099 -2.216 6.202 1.00 0.52 H new ATOM 0 HA SER A 57 11.015 -0.922 4.564 1.00 0.47 H new ATOM 0 HB2 SER A 57 8.690 0.629 5.168 1.00 0.51 H new ATOM 0 HB3 SER A 57 10.092 1.295 5.981 1.00 0.51 H new ATOM 0 HG SER A 57 10.674 2.010 4.068 1.00 1.46 H new ATOM 535 N THR A 58 11.869 0.131 7.034 1.00 0.75 N ATOM 536 CA THR A 58 12.628 0.096 8.286 1.00 0.94 C ATOM 537 C THR A 58 11.763 -0.459 9.413 1.00 1.00 C ATOM 538 O THR A 58 10.538 -0.405 9.336 1.00 1.41 O ATOM 539 CB THR A 58 13.112 1.497 8.657 1.00 1.24 C ATOM 540 OG1 THR A 58 14.002 1.446 9.757 1.00 1.39 O ATOM 541 CG2 THR A 58 11.981 2.430 9.026 1.00 1.99 C ATOM 0 H THR A 58 12.007 0.974 6.477 1.00 0.75 H new ATOM 0 HA THR A 58 13.492 -0.553 8.143 1.00 0.94 H new ATOM 0 HB THR A 58 13.611 1.881 7.767 1.00 1.24 H new ATOM 0 HG1 THR A 58 14.052 2.329 10.178 1.00 1.39 H new ATOM 0 HG21 THR A 58 12.386 3.410 9.280 1.00 1.99 H new ATOM 0 HG22 THR A 58 11.299 2.527 8.181 1.00 1.99 H new ATOM 0 HG23 THR A 58 11.442 2.027 9.883 1.00 1.99 H new ATOM 549 N LEU A 59 12.396 -1.005 10.438 1.00 1.17 N ATOM 550 CA LEU A 59 11.672 -1.584 11.558 1.00 1.34 C ATOM 551 C LEU A 59 11.049 -2.933 11.176 1.00 1.38 C ATOM 552 O LEU A 59 10.171 -3.437 11.876 1.00 1.80 O ATOM 553 CB LEU A 59 10.611 -0.594 12.078 1.00 1.71 C ATOM 554 CG LEU A 59 9.175 -0.791 11.571 1.00 1.41 C ATOM 555 CD1 LEU A 59 8.314 -1.451 12.638 1.00 1.74 C ATOM 556 CD2 LEU A 59 8.577 0.543 11.143 1.00 1.87 C ATOM 0 H LEU A 59 13.411 -1.060 10.518 1.00 1.17 H new ATOM 0 HA LEU A 59 12.378 -1.775 12.366 1.00 1.34 H new ATOM 0 HB2 LEU A 59 10.598 -0.650 13.166 1.00 1.71 H new ATOM 0 HB3 LEU A 59 10.929 0.415 11.815 1.00 1.71 H new ATOM 0 HG LEU A 59 9.202 -1.450 10.703 1.00 1.41 H new ATOM 0 HD11 LEU A 59 7.301 -1.581 12.258 1.00 1.74 H new ATOM 0 HD12 LEU A 59 8.734 -2.424 12.894 1.00 1.74 H new ATOM 0 HD13 LEU A 59 8.290 -0.821 13.527 1.00 1.74 H new ATOM 0 HD21 LEU A 59 7.559 0.388 10.786 1.00 1.87 H new ATOM 0 HD22 LEU A 59 8.563 1.225 11.993 1.00 1.87 H new ATOM 0 HD23 LEU A 59 9.180 0.972 10.343 1.00 1.87 H new ATOM 568 N ASP A 60 11.512 -3.517 10.065 1.00 1.26 N ATOM 569 CA ASP A 60 10.992 -4.808 9.610 1.00 1.54 C ATOM 570 C ASP A 60 11.758 -5.958 10.264 1.00 1.37 C ATOM 571 O ASP A 60 12.413 -5.772 11.290 1.00 1.36 O ATOM 572 CB ASP A 60 11.084 -4.931 8.088 1.00 2.10 C ATOM 573 CG ASP A 60 9.902 -5.670 7.490 1.00 2.87 C ATOM 574 OD1 ASP A 60 8.872 -5.019 7.215 1.00 3.56 O ATOM 575 OD2 ASP A 60 10.007 -6.899 7.294 1.00 3.17 O ATOM 0 H ASP A 60 12.239 -3.119 9.470 1.00 1.26 H new ATOM 0 HA ASP A 60 9.944 -4.864 9.903 1.00 1.54 H new ATOM 0 HB2 ASP A 60 11.144 -3.935 7.650 1.00 2.10 H new ATOM 0 HB3 ASP A 60 12.005 -5.452 7.824 1.00 2.10 H new ATOM 580 N LYS A 61 11.676 -7.145 9.665 1.00 1.65 N ATOM 581 CA LYS A 61 12.366 -8.316 10.194 1.00 1.85 C ATOM 582 C LYS A 61 13.786 -8.422 9.642 1.00 1.82 C ATOM 583 O LYS A 61 14.762 -8.276 10.377 1.00 1.93 O ATOM 584 CB LYS A 61 11.584 -9.587 9.864 1.00 2.35 C ATOM 585 CG LYS A 61 12.184 -10.841 10.478 1.00 2.39 C ATOM 586 CD LYS A 61 12.369 -10.690 11.979 1.00 2.98 C ATOM 587 CE LYS A 61 11.054 -10.365 12.672 1.00 3.67 C ATOM 588 NZ LYS A 61 11.230 -10.184 14.140 1.00 4.11 N ATOM 0 H LYS A 61 11.139 -7.319 8.815 1.00 1.65 H new ATOM 0 HA LYS A 61 12.429 -8.203 11.276 1.00 1.85 H new ATOM 0 HB2 LYS A 61 10.558 -9.475 10.215 1.00 2.35 H new ATOM 0 HB3 LYS A 61 11.540 -9.707 8.782 1.00 2.35 H new ATOM 0 HG2 LYS A 61 11.536 -11.694 10.274 1.00 2.39 H new ATOM 0 HG3 LYS A 61 13.146 -11.052 10.011 1.00 2.39 H new ATOM 0 HD2 LYS A 61 12.781 -11.612 12.391 1.00 2.98 H new ATOM 0 HD3 LYS A 61 13.093 -9.900 12.180 1.00 2.98 H new ATOM 0 HE2 LYS A 61 10.632 -9.457 12.242 1.00 3.67 H new ATOM 0 HE3 LYS A 61 10.339 -11.167 12.488 1.00 3.67 H new ATOM 0 HZ1 LYS A 61 10.311 -9.964 14.575 1.00 4.11 H new ATOM 0 HZ2 LYS A 61 11.609 -11.059 14.555 1.00 4.11 H new ATOM 0 HZ3 LYS A 61 11.893 -9.402 14.316 1.00 4.11 H new ATOM 602 N GLU A 62 13.887 -8.686 8.342 1.00 1.86 N ATOM 603 CA GLU A 62 15.183 -8.823 7.682 1.00 1.95 C ATOM 604 C GLU A 62 16.059 -7.600 7.927 1.00 1.79 C ATOM 605 O GLU A 62 17.287 -7.685 7.882 1.00 1.95 O ATOM 606 CB GLU A 62 14.993 -9.037 6.177 1.00 2.09 C ATOM 607 CG GLU A 62 14.533 -10.440 5.811 1.00 2.41 C ATOM 608 CD GLU A 62 13.223 -10.819 6.473 1.00 3.00 C ATOM 609 OE1 GLU A 62 13.254 -11.284 7.632 1.00 3.14 O ATOM 610 OE2 GLU A 62 12.163 -10.651 5.832 1.00 3.80 O ATOM 0 H GLU A 62 13.085 -8.810 7.723 1.00 1.86 H new ATOM 0 HA GLU A 62 15.685 -9.692 8.107 1.00 1.95 H new ATOM 0 HB2 GLU A 62 14.264 -8.317 5.806 1.00 2.09 H new ATOM 0 HB3 GLU A 62 15.934 -8.829 5.668 1.00 2.09 H new ATOM 0 HG2 GLU A 62 14.422 -10.511 4.729 1.00 2.41 H new ATOM 0 HG3 GLU A 62 15.302 -11.157 6.100 1.00 2.41 H new ATOM 617 N PHE A 63 15.424 -6.464 8.184 1.00 1.55 N ATOM 618 CA PHE A 63 16.147 -5.222 8.434 1.00 1.41 C ATOM 619 C PHE A 63 16.710 -5.197 9.847 1.00 1.54 C ATOM 620 O PHE A 63 17.815 -4.705 10.080 1.00 1.79 O ATOM 621 CB PHE A 63 15.218 -4.026 8.216 1.00 1.10 C ATOM 622 CG PHE A 63 14.474 -4.068 6.908 1.00 0.91 C ATOM 623 CD1 PHE A 63 14.964 -4.811 5.847 1.00 1.23 C ATOM 624 CD2 PHE A 63 13.293 -3.358 6.733 1.00 0.72 C ATOM 625 CE1 PHE A 63 14.292 -4.845 4.638 1.00 1.22 C ATOM 626 CE2 PHE A 63 12.619 -3.389 5.528 1.00 0.88 C ATOM 627 CZ PHE A 63 13.082 -4.162 4.501 1.00 1.02 C ATOM 0 H PHE A 63 14.409 -6.376 8.225 1.00 1.55 H new ATOM 0 HA PHE A 63 16.981 -5.161 7.734 1.00 1.41 H new ATOM 0 HB2 PHE A 63 14.497 -3.984 9.033 1.00 1.10 H new ATOM 0 HB3 PHE A 63 15.805 -3.109 8.261 1.00 1.10 H new ATOM 0 HD1 PHE A 63 15.881 -5.370 5.965 1.00 1.23 H new ATOM 0 HD2 PHE A 63 12.897 -2.774 7.550 1.00 0.72 H new ATOM 0 HE1 PHE A 63 14.701 -5.397 3.805 1.00 1.22 H new ATOM 0 HE2 PHE A 63 11.723 -2.800 5.397 1.00 0.88 H new ATOM 0 HZ PHE A 63 12.514 -4.244 3.586 1.00 1.02 H new ATOM 637 N GLY A 64 15.944 -5.732 10.787 1.00 1.52 N ATOM 638 CA GLY A 64 16.377 -5.763 12.168 1.00 1.73 C ATOM 639 C GLY A 64 16.832 -4.407 12.666 1.00 1.66 C ATOM 640 O GLY A 64 17.984 -4.240 13.068 1.00 2.32 O ATOM 0 H GLY A 64 15.028 -6.146 10.616 1.00 1.52 H new ATOM 0 HA2 GLY A 64 15.559 -6.120 12.794 1.00 1.73 H new ATOM 0 HA3 GLY A 64 17.194 -6.477 12.273 1.00 1.73 H new ATOM 644 N LEU A 65 15.923 -3.438 12.643 1.00 1.73 N ATOM 645 CA LEU A 65 16.228 -2.087 13.101 1.00 2.08 C ATOM 646 C LEU A 65 17.273 -1.417 12.214 1.00 2.04 C ATOM 647 O LEU A 65 18.452 -1.767 12.251 1.00 2.62 O ATOM 648 CB LEU A 65 16.720 -2.113 14.552 1.00 2.62 C ATOM 649 CG LEU A 65 15.709 -2.637 15.574 1.00 2.98 C ATOM 650 CD1 LEU A 65 15.350 -4.085 15.278 1.00 3.23 C ATOM 651 CD2 LEU A 65 16.264 -2.501 16.984 1.00 3.51 C ATOM 0 H LEU A 65 14.967 -3.563 12.311 1.00 1.73 H new ATOM 0 HA LEU A 65 15.308 -1.505 13.041 1.00 2.08 H new ATOM 0 HB2 LEU A 65 17.617 -2.730 14.603 1.00 2.62 H new ATOM 0 HB3 LEU A 65 17.011 -1.102 14.838 1.00 2.62 H new ATOM 0 HG LEU A 65 14.801 -2.039 15.500 1.00 2.98 H new ATOM 0 HD11 LEU A 65 14.630 -4.439 16.016 1.00 3.23 H new ATOM 0 HD12 LEU A 65 14.913 -4.155 14.282 1.00 3.23 H new ATOM 0 HD13 LEU A 65 16.249 -4.700 15.324 1.00 3.23 H new ATOM 0 HD21 LEU A 65 15.534 -2.878 17.700 1.00 3.51 H new ATOM 0 HD22 LEU A 65 17.186 -3.076 17.069 1.00 3.51 H new ATOM 0 HD23 LEU A 65 16.470 -1.452 17.194 1.00 3.51 H new ATOM 663 N ASP A 66 16.829 -0.437 11.431 1.00 1.94 N ATOM 664 CA ASP A 66 17.717 0.308 10.543 1.00 2.04 C ATOM 665 C ASP A 66 18.233 -0.554 9.394 1.00 1.41 C ATOM 666 O ASP A 66 18.996 -1.497 9.603 1.00 1.89 O ATOM 667 CB ASP A 66 18.895 0.883 11.333 1.00 2.97 C ATOM 668 CG ASP A 66 19.786 1.770 10.484 1.00 4.03 C ATOM 669 OD1 ASP A 66 20.726 1.239 9.857 1.00 4.42 O ATOM 670 OD2 ASP A 66 19.541 2.994 10.446 1.00 4.70 O ATOM 0 H ASP A 66 15.854 -0.139 11.394 1.00 1.94 H new ATOM 0 HA ASP A 66 17.135 1.122 10.111 1.00 2.04 H new ATOM 0 HB2 ASP A 66 18.516 1.457 12.178 1.00 2.97 H new ATOM 0 HB3 ASP A 66 19.487 0.065 11.743 1.00 2.97 H new ATOM 675 N SER A 67 17.818 -0.205 8.180 1.00 1.46 N ATOM 676 CA SER A 67 18.233 -0.919 6.977 1.00 2.04 C ATOM 677 C SER A 67 17.545 -0.327 5.758 1.00 2.10 C ATOM 678 O SER A 67 18.180 -0.030 4.746 1.00 2.64 O ATOM 679 CB SER A 67 17.900 -2.408 7.082 1.00 2.55 C ATOM 680 OG SER A 67 18.745 -3.179 6.247 1.00 2.95 O ATOM 0 H SER A 67 17.188 0.577 8.003 1.00 1.46 H new ATOM 0 HA SER A 67 19.313 -0.812 6.874 1.00 2.04 H new ATOM 0 HB2 SER A 67 18.008 -2.736 8.116 1.00 2.55 H new ATOM 0 HB3 SER A 67 16.859 -2.572 6.802 1.00 2.55 H new ATOM 0 HG SER A 67 18.513 -4.127 6.333 1.00 2.95 H new ATOM 686 N THR A 68 16.238 -0.153 5.880 1.00 1.67 N ATOM 687 CA THR A 68 15.424 0.414 4.811 1.00 1.78 C ATOM 688 C THR A 68 15.865 1.834 4.467 1.00 1.59 C ATOM 689 O THR A 68 15.493 2.362 3.420 1.00 2.23 O ATOM 690 CB THR A 68 13.961 0.415 5.220 1.00 2.14 C ATOM 691 OG1 THR A 68 13.506 -0.907 5.439 1.00 2.77 O ATOM 692 CG2 THR A 68 13.059 1.046 4.187 1.00 2.70 C ATOM 0 H THR A 68 15.712 -0.399 6.718 1.00 1.67 H new ATOM 0 HA THR A 68 15.556 -0.205 3.924 1.00 1.78 H new ATOM 0 HB THR A 68 13.911 1.006 6.134 1.00 2.14 H new ATOM 0 HG1 THR A 68 14.002 -1.304 6.185 1.00 2.77 H new ATOM 0 HG21 THR A 68 12.027 1.016 4.538 1.00 2.70 H new ATOM 0 HG22 THR A 68 13.358 2.082 4.027 1.00 2.70 H new ATOM 0 HG23 THR A 68 13.139 0.496 3.249 1.00 2.70 H new ATOM 700 N ASN A 69 16.665 2.454 5.348 1.00 1.07 N ATOM 701 CA ASN A 69 17.158 3.819 5.123 1.00 1.18 C ATOM 702 C ASN A 69 17.536 4.020 3.659 1.00 1.14 C ATOM 703 O ASN A 69 17.368 5.102 3.097 1.00 2.00 O ATOM 704 CB ASN A 69 18.367 4.103 6.017 1.00 1.57 C ATOM 705 CG ASN A 69 19.481 3.096 5.818 1.00 1.96 C ATOM 706 OD1 ASN A 69 20.356 3.280 4.971 1.00 2.86 O ATOM 707 ND2 ASN A 69 19.456 2.023 6.601 1.00 1.89 N ATOM 0 H ASN A 69 16.983 2.032 6.220 1.00 1.07 H new ATOM 0 HA ASN A 69 16.359 4.516 5.376 1.00 1.18 H new ATOM 0 HB2 ASN A 69 18.744 5.104 5.807 1.00 1.57 H new ATOM 0 HB3 ASN A 69 18.054 4.093 7.061 1.00 1.57 H new ATOM 0 HD21 ASN A 69 20.181 1.311 6.514 1.00 1.89 H new ATOM 0 HD22 ASN A 69 18.712 1.911 7.290 1.00 1.89 H new ATOM 714 N ASN A 70 18.012 2.943 3.047 1.00 1.04 N ATOM 715 CA ASN A 70 18.383 2.953 1.644 1.00 1.32 C ATOM 716 C ASN A 70 17.387 2.103 0.865 1.00 1.16 C ATOM 717 O ASN A 70 16.984 1.033 1.322 1.00 1.05 O ATOM 718 CB ASN A 70 19.804 2.412 1.462 1.00 1.70 C ATOM 719 CG ASN A 70 20.598 3.178 0.419 1.00 1.67 C ATOM 720 OD1 ASN A 70 21.724 3.602 0.675 1.00 2.23 O ATOM 721 ND2 ASN A 70 20.026 3.347 -0.770 1.00 1.52 N ATOM 0 H ASN A 70 18.150 2.044 3.509 1.00 1.04 H new ATOM 0 HA ASN A 70 18.362 3.976 1.269 1.00 1.32 H new ATOM 0 HB2 ASN A 70 20.329 2.456 2.416 1.00 1.70 H new ATOM 0 HB3 ASN A 70 19.754 1.362 1.174 1.00 1.70 H new ATOM 0 HD21 ASN A 70 20.523 3.844 -1.509 1.00 1.52 H new ATOM 0 HD22 ASN A 70 19.090 2.980 -0.942 1.00 1.52 H new ATOM 728 N ILE A 71 16.978 2.583 -0.301 1.00 1.26 N ATOM 729 CA ILE A 71 16.012 1.870 -1.133 1.00 1.24 C ATOM 730 C ILE A 71 16.310 0.368 -1.202 1.00 1.02 C ATOM 731 O ILE A 71 15.407 -0.443 -1.404 1.00 0.95 O ATOM 732 CB ILE A 71 15.999 2.436 -2.566 1.00 1.56 C ATOM 733 CG1 ILE A 71 15.703 3.937 -2.552 1.00 1.60 C ATOM 734 CG2 ILE A 71 14.984 1.698 -3.423 1.00 2.25 C ATOM 735 CD1 ILE A 71 14.363 4.284 -1.947 1.00 1.84 C ATOM 0 H ILE A 71 17.300 3.467 -0.696 1.00 1.26 H new ATOM 0 HA ILE A 71 15.037 2.013 -0.667 1.00 1.24 H new ATOM 0 HB ILE A 71 16.987 2.288 -3.001 1.00 1.56 H new ATOM 0 HG12 ILE A 71 16.487 4.448 -1.994 1.00 1.60 H new ATOM 0 HG13 ILE A 71 15.740 4.316 -3.573 1.00 1.60 H new ATOM 0 HG21 ILE A 71 14.990 2.112 -4.431 1.00 2.25 H new ATOM 0 HG22 ILE A 71 15.243 0.640 -3.464 1.00 2.25 H new ATOM 0 HG23 ILE A 71 13.990 1.812 -2.990 1.00 2.25 H new ATOM 0 HD11 ILE A 71 14.222 5.365 -1.971 1.00 1.84 H new ATOM 0 HD12 ILE A 71 13.570 3.802 -2.518 1.00 1.84 H new ATOM 0 HD13 ILE A 71 14.329 3.936 -0.914 1.00 1.84 H new ATOM 747 N GLU A 72 17.579 0.006 -1.045 1.00 1.00 N ATOM 748 CA GLU A 72 17.992 -1.394 -1.101 1.00 0.97 C ATOM 749 C GLU A 72 17.118 -2.287 -0.217 1.00 0.79 C ATOM 750 O GLU A 72 16.480 -3.220 -0.704 1.00 0.78 O ATOM 751 CB GLU A 72 19.456 -1.524 -0.679 1.00 1.11 C ATOM 752 CG GLU A 72 19.984 -2.946 -0.741 1.00 1.49 C ATOM 753 CD GLU A 72 19.938 -3.525 -2.141 1.00 1.95 C ATOM 754 OE1 GLU A 72 20.912 -3.330 -2.898 1.00 2.49 O ATOM 755 OE2 GLU A 72 18.927 -4.176 -2.481 1.00 2.41 O ATOM 0 H GLU A 72 18.341 0.663 -0.878 1.00 1.00 H new ATOM 0 HA GLU A 72 17.872 -1.729 -2.131 1.00 0.97 H new ATOM 0 HB2 GLU A 72 20.068 -0.890 -1.321 1.00 1.11 H new ATOM 0 HB3 GLU A 72 19.567 -1.149 0.338 1.00 1.11 H new ATOM 0 HG2 GLU A 72 21.012 -2.964 -0.378 1.00 1.49 H new ATOM 0 HG3 GLU A 72 19.398 -3.576 -0.072 1.00 1.49 H new ATOM 762 N ALA A 73 17.105 -2.010 1.084 1.00 0.70 N ATOM 763 CA ALA A 73 16.324 -2.808 2.028 1.00 0.60 C ATOM 764 C ALA A 73 14.831 -2.781 1.702 1.00 0.54 C ATOM 765 O ALA A 73 14.225 -3.824 1.448 1.00 0.56 O ATOM 766 CB ALA A 73 16.564 -2.331 3.450 1.00 0.66 C ATOM 0 H ALA A 73 17.624 -1.242 1.509 1.00 0.70 H new ATOM 0 HA ALA A 73 16.659 -3.841 1.937 1.00 0.60 H new ATOM 0 HB1 ALA A 73 15.976 -2.935 4.141 1.00 0.66 H new ATOM 0 HB2 ALA A 73 17.622 -2.429 3.693 1.00 0.66 H new ATOM 0 HB3 ALA A 73 16.267 -1.286 3.538 1.00 0.66 H new ATOM 772 N ALA A 74 14.233 -1.593 1.708 1.00 0.56 N ATOM 773 CA ALA A 74 12.810 -1.469 1.407 1.00 0.65 C ATOM 774 C ALA A 74 12.478 -2.177 0.099 1.00 0.63 C ATOM 775 O ALA A 74 11.352 -2.632 -0.106 1.00 0.73 O ATOM 776 CB ALA A 74 12.393 -0.010 1.342 1.00 0.77 C ATOM 0 H ALA A 74 14.704 -0.713 1.915 1.00 0.56 H new ATOM 0 HA ALA A 74 12.251 -1.945 2.212 1.00 0.65 H new ATOM 0 HB1 ALA A 74 11.329 0.054 1.116 1.00 0.77 H new ATOM 0 HB2 ALA A 74 12.590 0.468 2.302 1.00 0.77 H new ATOM 0 HB3 ALA A 74 12.961 0.496 0.561 1.00 0.77 H new ATOM 782 N LYS A 75 13.472 -2.281 -0.777 1.00 0.60 N ATOM 783 CA LYS A 75 13.292 -2.953 -2.055 1.00 0.69 C ATOM 784 C LYS A 75 13.223 -4.459 -1.844 1.00 0.68 C ATOM 785 O LYS A 75 12.573 -5.175 -2.602 1.00 0.81 O ATOM 786 CB LYS A 75 14.431 -2.603 -3.016 1.00 0.81 C ATOM 787 CG LYS A 75 14.359 -3.349 -4.337 1.00 1.26 C ATOM 788 CD LYS A 75 14.351 -2.393 -5.520 1.00 1.49 C ATOM 789 CE LYS A 75 15.604 -1.530 -5.558 1.00 1.90 C ATOM 790 NZ LYS A 75 16.836 -2.337 -5.784 1.00 2.16 N ATOM 0 H LYS A 75 14.409 -1.908 -0.624 1.00 0.60 H new ATOM 0 HA LYS A 75 12.356 -2.613 -2.498 1.00 0.69 H new ATOM 0 HB2 LYS A 75 14.414 -1.531 -3.212 1.00 0.81 H new ATOM 0 HB3 LYS A 75 15.383 -2.824 -2.534 1.00 0.81 H new ATOM 0 HG2 LYS A 75 15.210 -4.025 -4.421 1.00 1.26 H new ATOM 0 HG3 LYS A 75 13.460 -3.964 -4.360 1.00 1.26 H new ATOM 0 HD2 LYS A 75 14.273 -2.962 -6.446 1.00 1.49 H new ATOM 0 HD3 LYS A 75 13.470 -1.753 -5.464 1.00 1.49 H new ATOM 0 HE2 LYS A 75 15.508 -0.787 -6.350 1.00 1.90 H new ATOM 0 HE3 LYS A 75 15.696 -0.984 -4.619 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 17.644 -1.701 -5.938 1.00 2.16 H new ATOM 0 HZ2 LYS A 75 17.018 -2.933 -4.952 1.00 2.16 H new ATOM 0 HZ3 LYS A 75 16.707 -2.941 -6.621 1.00 2.16 H new ATOM 804 N LYS A 76 13.888 -4.930 -0.794 1.00 0.60 N ATOM 805 CA LYS A 76 13.892 -6.349 -0.464 1.00 0.66 C ATOM 806 C LYS A 76 12.484 -6.816 -0.124 1.00 0.60 C ATOM 807 O LYS A 76 11.925 -7.691 -0.788 1.00 0.68 O ATOM 808 CB LYS A 76 14.814 -6.615 0.731 1.00 0.73 C ATOM 809 CG LYS A 76 14.758 -8.045 1.252 1.00 0.96 C ATOM 810 CD LYS A 76 15.219 -8.135 2.702 1.00 1.23 C ATOM 811 CE LYS A 76 16.700 -7.814 2.845 1.00 2.08 C ATOM 812 NZ LYS A 76 16.998 -6.387 2.544 1.00 2.52 N ATOM 0 H LYS A 76 14.432 -4.348 -0.157 1.00 0.60 H new ATOM 0 HA LYS A 76 14.256 -6.900 -1.331 1.00 0.66 H new ATOM 0 HB2 LYS A 76 15.840 -6.384 0.444 1.00 0.73 H new ATOM 0 HB3 LYS A 76 14.549 -5.934 1.540 1.00 0.73 H new ATOM 0 HG2 LYS A 76 13.739 -8.423 1.170 1.00 0.96 H new ATOM 0 HG3 LYS A 76 15.385 -8.684 0.630 1.00 0.96 H new ATOM 0 HD2 LYS A 76 14.637 -7.444 3.312 1.00 1.23 H new ATOM 0 HD3 LYS A 76 15.026 -9.138 3.083 1.00 1.23 H new ATOM 0 HE2 LYS A 76 17.024 -8.045 3.860 1.00 2.08 H new ATOM 0 HE3 LYS A 76 17.275 -8.453 2.174 1.00 2.08 H new ATOM 0 HZ1 LYS A 76 17.730 -6.040 3.197 1.00 2.52 H new ATOM 0 HZ2 LYS A 76 17.339 -6.303 1.565 1.00 2.52 H new ATOM 0 HZ3 LYS A 76 16.134 -5.820 2.660 1.00 2.52 H new ATOM 826 N VAL A 77 11.920 -6.228 0.925 1.00 0.54 N ATOM 827 CA VAL A 77 10.582 -6.593 1.365 1.00 0.59 C ATOM 828 C VAL A 77 9.511 -5.845 0.585 1.00 0.57 C ATOM 829 O VAL A 77 8.555 -6.452 0.100 1.00 0.62 O ATOM 830 CB VAL A 77 10.393 -6.345 2.870 1.00 0.76 C ATOM 831 CG1 VAL A 77 9.180 -7.108 3.384 1.00 1.04 C ATOM 832 CG2 VAL A 77 11.645 -6.740 3.639 1.00 1.61 C ATOM 0 H VAL A 77 12.367 -5.500 1.483 1.00 0.54 H new ATOM 0 HA VAL A 77 10.473 -7.660 1.171 1.00 0.59 H new ATOM 0 HB VAL A 77 10.221 -5.280 3.027 1.00 0.76 H new ATOM 0 HG11 VAL A 77 9.059 -6.923 4.451 1.00 1.04 H new ATOM 0 HG12 VAL A 77 8.288 -6.773 2.854 1.00 1.04 H new ATOM 0 HG13 VAL A 77 9.323 -8.175 3.215 1.00 1.04 H new ATOM 0 HG21 VAL A 77 11.492 -6.557 4.703 1.00 1.61 H new ATOM 0 HG22 VAL A 77 11.852 -7.798 3.479 1.00 1.61 H new ATOM 0 HG23 VAL A 77 12.490 -6.148 3.287 1.00 1.61 H new ATOM 842 N GLY A 78 9.673 -4.531 0.441 1.00 0.61 N ATOM 843 CA GLY A 78 8.702 -3.751 -0.313 1.00 0.76 C ATOM 844 C GLY A 78 8.377 -4.418 -1.642 1.00 0.78 C ATOM 845 O GLY A 78 7.268 -4.295 -2.163 1.00 0.94 O ATOM 0 H GLY A 78 10.450 -3.996 0.828 1.00 0.61 H new ATOM 0 HA2 GLY A 78 7.790 -3.636 0.272 1.00 0.76 H new ATOM 0 HA3 GLY A 78 9.095 -2.750 -0.491 1.00 0.76 H new ATOM 849 N GLU A 79 9.363 -5.148 -2.173 1.00 0.70 N ATOM 850 CA GLU A 79 9.208 -5.865 -3.435 1.00 0.82 C ATOM 851 C GLU A 79 8.411 -7.147 -3.227 1.00 0.77 C ATOM 852 O GLU A 79 7.392 -7.366 -3.881 1.00 0.79 O ATOM 853 CB GLU A 79 10.576 -6.200 -4.033 1.00 0.91 C ATOM 854 CG GLU A 79 10.498 -6.994 -5.327 1.00 1.18 C ATOM 855 CD GLU A 79 11.866 -7.357 -5.871 1.00 1.88 C ATOM 856 OE1 GLU A 79 12.484 -6.504 -6.543 1.00 2.16 O ATOM 857 OE2 GLU A 79 12.320 -8.495 -5.626 1.00 2.67 O ATOM 0 H GLU A 79 10.281 -5.256 -1.742 1.00 0.70 H new ATOM 0 HA GLU A 79 8.667 -5.220 -4.127 1.00 0.82 H new ATOM 0 HB2 GLU A 79 11.119 -5.273 -4.218 1.00 0.91 H new ATOM 0 HB3 GLU A 79 11.153 -6.767 -3.303 1.00 0.91 H new ATOM 0 HG2 GLU A 79 9.925 -7.906 -5.156 1.00 1.18 H new ATOM 0 HG3 GLU A 79 9.957 -6.413 -6.074 1.00 1.18 H new ATOM 864 N LEU A 80 8.874 -7.995 -2.302 1.00 0.76 N ATOM 865 CA LEU A 80 8.187 -9.255 -2.006 1.00 0.78 C ATOM 866 C LEU A 80 6.683 -9.025 -1.892 1.00 0.72 C ATOM 867 O LEU A 80 5.893 -9.620 -2.623 1.00 0.73 O ATOM 868 CB LEU A 80 8.723 -9.866 -0.709 1.00 0.86 C ATOM 869 CG LEU A 80 8.013 -11.142 -0.252 1.00 1.28 C ATOM 870 CD1 LEU A 80 8.065 -12.204 -1.339 1.00 1.69 C ATOM 871 CD2 LEU A 80 8.632 -11.662 1.037 1.00 2.00 C ATOM 0 H LEU A 80 9.716 -7.833 -1.749 1.00 0.76 H new ATOM 0 HA LEU A 80 8.376 -9.950 -2.824 1.00 0.78 H new ATOM 0 HB2 LEU A 80 9.783 -10.085 -0.839 1.00 0.86 H new ATOM 0 HB3 LEU A 80 8.646 -9.122 0.084 1.00 0.86 H new ATOM 0 HG LEU A 80 6.967 -10.904 -0.060 1.00 1.28 H new ATOM 0 HD11 LEU A 80 7.555 -13.103 -0.994 1.00 1.69 H new ATOM 0 HD12 LEU A 80 7.574 -11.830 -2.237 1.00 1.69 H new ATOM 0 HD13 LEU A 80 9.104 -12.441 -1.566 1.00 1.69 H new ATOM 0 HD21 LEU A 80 8.115 -12.570 1.348 1.00 2.00 H new ATOM 0 HD22 LEU A 80 9.686 -11.883 0.871 1.00 2.00 H new ATOM 0 HD23 LEU A 80 8.538 -10.906 1.816 1.00 2.00 H new ATOM 883 N VAL A 81 6.304 -8.127 -0.990 1.00 0.75 N ATOM 884 CA VAL A 81 4.904 -7.782 -0.800 1.00 0.76 C ATOM 885 C VAL A 81 4.292 -7.334 -2.123 1.00 0.74 C ATOM 886 O VAL A 81 3.158 -7.684 -2.449 1.00 0.74 O ATOM 887 CB VAL A 81 4.747 -6.662 0.234 1.00 0.85 C ATOM 888 CG1 VAL A 81 5.598 -5.468 -0.160 1.00 1.14 C ATOM 889 CG2 VAL A 81 3.284 -6.275 0.379 1.00 0.95 C ATOM 0 H VAL A 81 6.949 -7.625 -0.379 1.00 0.75 H new ATOM 0 HA VAL A 81 4.387 -8.670 -0.435 1.00 0.76 H new ATOM 0 HB VAL A 81 5.093 -7.020 1.204 1.00 0.85 H new ATOM 0 HG11 VAL A 81 5.480 -4.677 0.581 1.00 1.14 H new ATOM 0 HG12 VAL A 81 6.645 -5.767 -0.208 1.00 1.14 H new ATOM 0 HG13 VAL A 81 5.281 -5.101 -1.136 1.00 1.14 H new ATOM 0 HG21 VAL A 81 3.190 -5.478 1.117 1.00 0.95 H new ATOM 0 HG22 VAL A 81 2.903 -5.927 -0.581 1.00 0.95 H new ATOM 0 HG23 VAL A 81 2.709 -7.142 0.705 1.00 0.95 H new ATOM 899 N ALA A 82 5.059 -6.555 -2.881 1.00 0.81 N ATOM 900 CA ALA A 82 4.605 -6.056 -4.172 1.00 0.87 C ATOM 901 C ALA A 82 4.171 -7.200 -5.082 1.00 0.79 C ATOM 902 O ALA A 82 3.122 -7.131 -5.723 1.00 0.85 O ATOM 903 CB ALA A 82 5.707 -5.240 -4.834 1.00 1.03 C ATOM 0 H ALA A 82 5.999 -6.256 -2.621 1.00 0.81 H new ATOM 0 HA ALA A 82 3.740 -5.414 -4.005 1.00 0.87 H new ATOM 0 HB1 ALA A 82 5.358 -4.872 -5.798 1.00 1.03 H new ATOM 0 HB2 ALA A 82 5.968 -4.396 -4.196 1.00 1.03 H new ATOM 0 HB3 ALA A 82 6.586 -5.868 -4.982 1.00 1.03 H new ATOM 909 N LYS A 83 4.983 -8.251 -5.135 1.00 0.81 N ATOM 910 CA LYS A 83 4.678 -9.407 -5.970 1.00 0.89 C ATOM 911 C LYS A 83 3.379 -10.071 -5.525 1.00 0.81 C ATOM 912 O LYS A 83 2.409 -10.121 -6.282 1.00 0.90 O ATOM 913 CB LYS A 83 5.826 -10.414 -5.925 1.00 1.06 C ATOM 914 CG LYS A 83 5.634 -11.592 -6.867 1.00 1.43 C ATOM 915 CD LYS A 83 6.801 -12.561 -6.791 1.00 1.75 C ATOM 916 CE LYS A 83 6.630 -13.715 -7.767 1.00 2.04 C ATOM 917 NZ LYS A 83 7.761 -14.679 -7.689 1.00 2.68 N ATOM 0 H LYS A 83 5.855 -8.326 -4.611 1.00 0.81 H new ATOM 0 HA LYS A 83 4.553 -9.061 -6.996 1.00 0.89 H new ATOM 0 HB2 LYS A 83 6.756 -9.905 -6.177 1.00 1.06 H new ATOM 0 HB3 LYS A 83 5.933 -10.787 -4.906 1.00 1.06 H new ATOM 0 HG2 LYS A 83 4.710 -12.113 -6.616 1.00 1.43 H new ATOM 0 HG3 LYS A 83 5.527 -11.228 -7.889 1.00 1.43 H new ATOM 0 HD2 LYS A 83 7.729 -12.033 -7.009 1.00 1.75 H new ATOM 0 HD3 LYS A 83 6.887 -12.950 -5.777 1.00 1.75 H new ATOM 0 HE2 LYS A 83 5.695 -14.234 -7.555 1.00 2.04 H new ATOM 0 HE3 LYS A 83 6.555 -13.324 -8.782 1.00 2.04 H new ATOM 0 HZ1 LYS A 83 7.607 -15.450 -8.369 1.00 2.68 H new ATOM 0 HZ2 LYS A 83 8.650 -14.190 -7.916 1.00 2.68 H new ATOM 0 HZ3 LYS A 83 7.817 -15.071 -6.727 1.00 2.68 H new ATOM 931 N ARG A 84 3.346 -10.565 -4.285 1.00 0.81 N ATOM 932 CA ARG A 84 2.138 -11.203 -3.757 1.00 0.84 C ATOM 933 C ARG A 84 0.924 -10.338 -4.075 1.00 0.61 C ATOM 934 O ARG A 84 -0.159 -10.838 -4.377 1.00 0.71 O ATOM 935 CB ARG A 84 2.252 -11.429 -2.248 1.00 1.13 C ATOM 936 CG ARG A 84 2.641 -10.184 -1.469 1.00 1.39 C ATOM 937 CD ARG A 84 2.541 -10.416 0.031 1.00 1.98 C ATOM 938 NE ARG A 84 3.297 -11.592 0.454 1.00 2.44 N ATOM 939 CZ ARG A 84 3.059 -12.256 1.582 1.00 3.11 C ATOM 940 NH1 ARG A 84 2.095 -11.856 2.400 1.00 3.54 N ATOM 941 NH2 ARG A 84 3.787 -13.322 1.893 1.00 3.69 N ATOM 0 H ARG A 84 4.131 -10.536 -3.635 1.00 0.81 H new ATOM 0 HA ARG A 84 2.021 -12.177 -4.232 1.00 0.84 H new ATOM 0 HB2 ARG A 84 1.298 -11.798 -1.872 1.00 1.13 H new ATOM 0 HB3 ARG A 84 2.991 -12.208 -2.062 1.00 1.13 H new ATOM 0 HG2 ARG A 84 3.660 -9.895 -1.727 1.00 1.39 H new ATOM 0 HG3 ARG A 84 1.992 -9.356 -1.755 1.00 1.39 H new ATOM 0 HD2 ARG A 84 2.911 -9.537 0.559 1.00 1.98 H new ATOM 0 HD3 ARG A 84 1.494 -10.538 0.310 1.00 1.98 H new ATOM 0 HE ARG A 84 4.050 -11.923 -0.149 1.00 2.44 H new ATOM 0 HH11 ARG A 84 1.534 -11.037 2.165 1.00 3.54 H new ATOM 0 HH12 ARG A 84 1.915 -12.367 3.264 1.00 3.54 H new ATOM 0 HH21 ARG A 84 4.530 -13.633 1.267 1.00 3.69 H new ATOM 0 HH22 ARG A 84 3.603 -13.830 2.758 1.00 3.69 H new ATOM 955 N ALA A 85 1.138 -9.029 -4.046 1.00 0.61 N ATOM 956 CA ALA A 85 0.107 -8.083 -4.365 1.00 0.80 C ATOM 957 C ALA A 85 -0.476 -8.401 -5.735 1.00 1.06 C ATOM 958 O ALA A 85 -1.686 -8.522 -5.887 1.00 1.38 O ATOM 959 CB ALA A 85 0.670 -6.668 -4.323 1.00 1.21 C ATOM 0 H ALA A 85 2.033 -8.606 -3.800 1.00 0.61 H new ATOM 0 HA ALA A 85 -0.693 -8.152 -3.628 1.00 0.80 H new ATOM 0 HB1 ALA A 85 -0.118 -5.955 -4.566 1.00 1.21 H new ATOM 0 HB2 ALA A 85 1.053 -6.458 -3.324 1.00 1.21 H new ATOM 0 HB3 ALA A 85 1.478 -6.576 -5.048 1.00 1.21 H new ATOM 965 N LEU A 86 0.393 -8.561 -6.735 1.00 1.11 N ATOM 966 CA LEU A 86 -0.068 -8.889 -8.078 1.00 1.61 C ATOM 967 C LEU A 86 -1.004 -10.091 -8.032 1.00 1.90 C ATOM 968 O LEU A 86 -1.957 -10.180 -8.806 1.00 2.47 O ATOM 969 CB LEU A 86 1.120 -9.147 -9.017 1.00 1.64 C ATOM 970 CG LEU A 86 1.668 -10.575 -9.051 1.00 1.91 C ATOM 971 CD1 LEU A 86 0.847 -11.440 -9.995 1.00 2.52 C ATOM 972 CD2 LEU A 86 3.131 -10.561 -9.468 1.00 1.92 C ATOM 0 H LEU A 86 1.404 -8.470 -6.640 1.00 1.11 H new ATOM 0 HA LEU A 86 -0.621 -8.038 -8.474 1.00 1.61 H new ATOM 0 HB2 LEU A 86 0.821 -8.873 -10.029 1.00 1.64 H new ATOM 0 HB3 LEU A 86 1.931 -8.477 -8.732 1.00 1.64 H new ATOM 0 HG LEU A 86 1.595 -11.003 -8.051 1.00 1.91 H new ATOM 0 HD11 LEU A 86 1.252 -12.452 -10.006 1.00 2.52 H new ATOM 0 HD12 LEU A 86 -0.189 -11.467 -9.656 1.00 2.52 H new ATOM 0 HD13 LEU A 86 0.889 -11.022 -11.001 1.00 2.52 H new ATOM 0 HD21 LEU A 86 3.513 -11.582 -9.490 1.00 1.92 H new ATOM 0 HD22 LEU A 86 3.222 -10.118 -10.460 1.00 1.92 H new ATOM 0 HD23 LEU A 86 3.707 -9.973 -8.754 1.00 1.92 H new ATOM 984 N GLU A 87 -0.739 -11.003 -7.100 1.00 1.70 N ATOM 985 CA GLU A 87 -1.581 -12.183 -6.940 1.00 2.11 C ATOM 986 C GLU A 87 -2.950 -11.783 -6.395 1.00 1.86 C ATOM 987 O GLU A 87 -3.943 -12.480 -6.607 1.00 2.33 O ATOM 988 CB GLU A 87 -0.922 -13.204 -6.010 1.00 2.40 C ATOM 989 CG GLU A 87 0.477 -13.608 -6.442 1.00 2.35 C ATOM 990 CD GLU A 87 1.074 -14.682 -5.553 1.00 2.89 C ATOM 991 OE1 GLU A 87 0.852 -15.878 -5.834 1.00 3.20 O ATOM 992 OE2 GLU A 87 1.766 -14.326 -4.575 1.00 3.30 O ATOM 0 H GLU A 87 0.045 -10.948 -6.450 1.00 1.70 H new ATOM 0 HA GLU A 87 -1.708 -12.645 -7.919 1.00 2.11 H new ATOM 0 HB2 GLU A 87 -0.876 -12.789 -5.003 1.00 2.40 H new ATOM 0 HB3 GLU A 87 -1.549 -14.094 -5.960 1.00 2.40 H new ATOM 0 HG2 GLU A 87 0.446 -13.968 -7.470 1.00 2.35 H new ATOM 0 HG3 GLU A 87 1.124 -12.731 -6.431 1.00 2.35 H new ATOM 999 N LYS A 88 -2.997 -10.642 -5.704 1.00 1.30 N ATOM 1000 CA LYS A 88 -4.220 -10.129 -5.146 1.00 1.38 C ATOM 1001 C LYS A 88 -4.825 -9.101 -6.082 1.00 1.33 C ATOM 1002 O LYS A 88 -4.328 -8.869 -7.185 1.00 2.14 O ATOM 1003 CB LYS A 88 -3.956 -9.507 -3.771 1.00 1.54 C ATOM 1004 CG LYS A 88 -3.877 -10.526 -2.646 1.00 1.94 C ATOM 1005 CD LYS A 88 -2.966 -11.682 -3.013 1.00 1.92 C ATOM 1006 CE LYS A 88 -2.496 -12.437 -1.780 1.00 2.31 C ATOM 1007 NZ LYS A 88 -1.595 -13.569 -2.132 1.00 3.30 N ATOM 0 H LYS A 88 -2.180 -10.058 -5.523 1.00 1.30 H new ATOM 0 HA LYS A 88 -4.925 -10.952 -5.024 1.00 1.38 H new ATOM 0 HB2 LYS A 88 -3.022 -8.947 -3.808 1.00 1.54 H new ATOM 0 HB3 LYS A 88 -4.748 -8.792 -3.547 1.00 1.54 H new ATOM 0 HG2 LYS A 88 -3.509 -10.043 -1.740 1.00 1.94 H new ATOM 0 HG3 LYS A 88 -4.875 -10.903 -2.423 1.00 1.94 H new ATOM 0 HD2 LYS A 88 -3.494 -12.365 -3.679 1.00 1.92 H new ATOM 0 HD3 LYS A 88 -2.102 -11.306 -3.561 1.00 1.92 H new ATOM 0 HE2 LYS A 88 -1.974 -11.752 -1.112 1.00 2.31 H new ATOM 0 HE3 LYS A 88 -3.360 -12.817 -1.235 1.00 2.31 H new ATOM 0 HZ1 LYS A 88 -1.297 -14.058 -1.264 1.00 3.30 H new ATOM 0 HZ2 LYS A 88 -2.101 -14.236 -2.749 1.00 3.30 H new ATOM 0 HZ3 LYS A 88 -0.757 -13.204 -2.629 1.00 3.30 H new ATOM 1021 N GLY A 89 -5.893 -8.499 -5.619 1.00 1.17 N ATOM 1022 CA GLY A 89 -6.601 -7.491 -6.392 1.00 1.54 C ATOM 1023 C GLY A 89 -6.990 -7.991 -7.772 1.00 1.65 C ATOM 1024 O GLY A 89 -6.461 -8.997 -8.243 1.00 2.42 O ATOM 0 H GLY A 89 -6.299 -8.688 -4.703 1.00 1.17 H new ATOM 0 HA2 GLY A 89 -7.498 -7.186 -5.852 1.00 1.54 H new ATOM 0 HA3 GLY A 89 -5.973 -6.606 -6.492 1.00 1.54 H new ATOM 1028 N ILE A 90 -7.885 -7.276 -8.450 1.00 1.54 N ATOM 1029 CA ILE A 90 -8.267 -7.670 -9.802 1.00 1.78 C ATOM 1030 C ILE A 90 -7.057 -7.464 -10.693 1.00 1.49 C ATOM 1031 O ILE A 90 -6.753 -8.265 -11.577 1.00 1.75 O ATOM 1032 CB ILE A 90 -9.459 -6.852 -10.338 1.00 2.16 C ATOM 1033 CG1 ILE A 90 -10.638 -6.939 -9.367 1.00 2.83 C ATOM 1034 CG2 ILE A 90 -9.864 -7.349 -11.716 1.00 2.23 C ATOM 1035 CD1 ILE A 90 -11.113 -8.355 -9.121 1.00 3.26 C ATOM 0 H ILE A 90 -8.349 -6.440 -8.095 1.00 1.54 H new ATOM 0 HA ILE A 90 -8.586 -8.712 -9.793 1.00 1.78 H new ATOM 0 HB ILE A 90 -9.158 -5.808 -10.424 1.00 2.16 H new ATOM 0 HG12 ILE A 90 -10.350 -6.490 -8.416 1.00 2.83 H new ATOM 0 HG13 ILE A 90 -11.466 -6.349 -9.760 1.00 2.83 H new ATOM 0 HG21 ILE A 90 -10.707 -6.762 -12.081 1.00 2.23 H new ATOM 0 HG22 ILE A 90 -9.024 -7.244 -12.402 1.00 2.23 H new ATOM 0 HG23 ILE A 90 -10.153 -8.398 -11.654 1.00 2.23 H new ATOM 0 HD11 ILE A 90 -11.950 -8.342 -8.423 1.00 3.26 H new ATOM 0 HD12 ILE A 90 -11.432 -8.800 -10.063 1.00 3.26 H new ATOM 0 HD13 ILE A 90 -10.299 -8.944 -8.699 1.00 3.26 H new ATOM 1047 N LYS A 91 -6.342 -6.393 -10.381 1.00 1.32 N ATOM 1048 CA LYS A 91 -5.112 -6.033 -11.049 1.00 1.13 C ATOM 1049 C LYS A 91 -4.114 -5.648 -9.967 1.00 1.05 C ATOM 1050 O LYS A 91 -4.472 -5.591 -8.800 1.00 1.59 O ATOM 1051 CB LYS A 91 -5.329 -4.883 -12.038 1.00 1.58 C ATOM 1052 CG LYS A 91 -5.560 -3.535 -11.379 1.00 2.04 C ATOM 1053 CD LYS A 91 -6.400 -2.629 -12.267 1.00 2.66 C ATOM 1054 CE LYS A 91 -6.883 -1.398 -11.519 1.00 3.45 C ATOM 1055 NZ LYS A 91 -7.892 -0.634 -12.303 1.00 3.95 N ATOM 0 H LYS A 91 -6.610 -5.742 -9.643 1.00 1.32 H new ATOM 0 HA LYS A 91 -4.738 -6.872 -11.636 1.00 1.13 H new ATOM 0 HB2 LYS A 91 -4.460 -4.812 -12.692 1.00 1.58 H new ATOM 0 HB3 LYS A 91 -6.185 -5.118 -12.670 1.00 1.58 H new ATOM 0 HG2 LYS A 91 -6.060 -3.676 -10.421 1.00 2.04 H new ATOM 0 HG3 LYS A 91 -4.602 -3.059 -11.171 1.00 2.04 H new ATOM 0 HD2 LYS A 91 -5.813 -2.322 -13.132 1.00 2.66 H new ATOM 0 HD3 LYS A 91 -7.258 -3.185 -12.645 1.00 2.66 H new ATOM 0 HE2 LYS A 91 -7.316 -1.699 -10.565 1.00 3.45 H new ATOM 0 HE3 LYS A 91 -6.034 -0.753 -11.294 1.00 3.45 H new ATOM 0 HZ1 LYS A 91 -8.197 0.198 -11.759 1.00 3.95 H new ATOM 0 HZ2 LYS A 91 -7.471 -0.325 -13.202 1.00 3.95 H new ATOM 0 HZ3 LYS A 91 -8.714 -1.241 -12.496 1.00 3.95 H new ATOM 1069 N GLN A 92 -2.878 -5.413 -10.338 1.00 0.75 N ATOM 1070 CA GLN A 92 -1.834 -5.062 -9.382 1.00 0.67 C ATOM 1071 C GLN A 92 -2.102 -3.692 -8.753 1.00 0.54 C ATOM 1072 O GLN A 92 -3.097 -3.066 -9.090 1.00 0.77 O ATOM 1073 CB GLN A 92 -0.485 -5.103 -10.069 1.00 0.79 C ATOM 1074 CG GLN A 92 -0.047 -6.503 -10.511 1.00 1.38 C ATOM 1075 CD GLN A 92 -1.169 -7.380 -11.033 1.00 2.14 C ATOM 1076 OE1 GLN A 92 -1.743 -8.183 -10.298 1.00 3.03 O ATOM 1077 NE2 GLN A 92 -1.500 -7.212 -12.306 1.00 2.16 N ATOM 0 H GLN A 92 -2.560 -5.457 -11.306 1.00 0.75 H new ATOM 0 HA GLN A 92 -1.834 -5.790 -8.571 1.00 0.67 H new ATOM 0 HB2 GLN A 92 -0.515 -4.451 -10.942 1.00 0.79 H new ATOM 0 HB3 GLN A 92 0.267 -4.696 -9.393 1.00 0.79 H new ATOM 0 HG2 GLN A 92 0.711 -6.404 -11.288 1.00 1.38 H new ATOM 0 HG3 GLN A 92 0.426 -7.005 -9.667 1.00 1.38 H new ATOM 0 HE21 GLN A 92 -0.997 -6.534 -12.879 1.00 2.16 H new ATOM 0 HE22 GLN A 92 -2.258 -7.760 -12.712 1.00 2.16 H new ATOM 1086 N VAL A 93 -1.253 -3.241 -7.802 1.00 0.43 N ATOM 1087 CA VAL A 93 -1.466 -1.945 -7.150 1.00 0.44 C ATOM 1088 C VAL A 93 -0.141 -1.334 -6.662 1.00 0.75 C ATOM 1089 O VAL A 93 0.525 -1.920 -5.808 1.00 1.27 O ATOM 1090 CB VAL A 93 -2.430 -2.117 -5.955 1.00 0.75 C ATOM 1091 CG1 VAL A 93 -1.748 -2.778 -4.772 1.00 1.23 C ATOM 1092 CG2 VAL A 93 -3.032 -0.783 -5.550 1.00 1.73 C ATOM 0 H VAL A 93 -0.431 -3.750 -7.479 1.00 0.43 H new ATOM 0 HA VAL A 93 -1.900 -1.266 -7.884 1.00 0.44 H new ATOM 0 HB VAL A 93 -3.235 -2.776 -6.280 1.00 0.75 H new ATOM 0 HG11 VAL A 93 -2.459 -2.881 -3.953 1.00 1.23 H new ATOM 0 HG12 VAL A 93 -1.387 -3.764 -5.065 1.00 1.23 H new ATOM 0 HG13 VAL A 93 -0.907 -2.165 -4.448 1.00 1.23 H new ATOM 0 HG21 VAL A 93 -3.707 -0.929 -4.707 1.00 1.73 H new ATOM 0 HG22 VAL A 93 -2.236 -0.097 -5.262 1.00 1.73 H new ATOM 0 HG23 VAL A 93 -3.586 -0.364 -6.390 1.00 1.73 H new ATOM 1102 N VAL A 94 0.251 -0.141 -7.151 1.00 1.05 N ATOM 1103 CA VAL A 94 1.494 0.448 -6.627 1.00 1.51 C ATOM 1104 C VAL A 94 1.592 1.980 -6.718 1.00 1.18 C ATOM 1105 O VAL A 94 2.335 2.516 -7.534 1.00 1.87 O ATOM 1106 CB VAL A 94 2.750 -0.152 -7.324 1.00 2.63 C ATOM 1107 CG1 VAL A 94 3.700 -0.728 -6.294 1.00 3.59 C ATOM 1108 CG2 VAL A 94 2.383 -1.208 -8.357 1.00 3.01 C ATOM 0 H VAL A 94 -0.239 0.403 -7.861 1.00 1.05 H new ATOM 0 HA VAL A 94 1.462 0.190 -5.569 1.00 1.51 H new ATOM 0 HB VAL A 94 3.247 0.661 -7.854 1.00 2.63 H new ATOM 0 HG11 VAL A 94 4.573 -1.144 -6.797 1.00 3.59 H new ATOM 0 HG12 VAL A 94 4.016 0.060 -5.610 1.00 3.59 H new ATOM 0 HG13 VAL A 94 3.195 -1.515 -5.733 1.00 3.59 H new ATOM 0 HG21 VAL A 94 3.291 -1.598 -8.817 1.00 3.01 H new ATOM 0 HG22 VAL A 94 1.845 -2.021 -7.870 1.00 3.01 H new ATOM 0 HG23 VAL A 94 1.750 -0.762 -9.124 1.00 3.01 H new ATOM 1118 N PHE A 95 0.949 2.664 -5.780 1.00 0.67 N ATOM 1119 CA PHE A 95 1.057 4.121 -5.623 1.00 0.49 C ATOM 1120 C PHE A 95 0.080 4.676 -4.584 1.00 0.59 C ATOM 1121 O PHE A 95 -0.960 4.080 -4.308 1.00 1.09 O ATOM 1122 CB PHE A 95 0.990 4.913 -6.921 1.00 0.90 C ATOM 1123 CG PHE A 95 0.376 4.206 -8.079 1.00 1.91 C ATOM 1124 CD1 PHE A 95 -0.801 3.495 -7.951 1.00 2.38 C ATOM 1125 CD2 PHE A 95 0.993 4.272 -9.312 1.00 2.81 C ATOM 1126 CE1 PHE A 95 -1.352 2.861 -9.050 1.00 3.55 C ATOM 1127 CE2 PHE A 95 0.452 3.639 -10.410 1.00 3.99 C ATOM 1128 CZ PHE A 95 -0.724 2.934 -10.279 1.00 4.33 C ATOM 0 H PHE A 95 0.331 2.225 -5.098 1.00 0.67 H new ATOM 0 HA PHE A 95 2.070 4.266 -5.247 1.00 0.49 H new ATOM 0 HB2 PHE A 95 0.427 5.828 -6.738 1.00 0.90 H new ATOM 0 HB3 PHE A 95 2.002 5.211 -7.196 1.00 0.90 H new ATOM 0 HD1 PHE A 95 -1.292 3.434 -6.991 1.00 2.38 H new ATOM 0 HD2 PHE A 95 1.913 4.828 -9.418 1.00 2.81 H new ATOM 0 HE1 PHE A 95 -2.274 2.308 -8.948 1.00 3.55 H new ATOM 0 HE2 PHE A 95 0.947 3.695 -11.368 1.00 3.99 H new ATOM 0 HZ PHE A 95 -1.155 2.438 -11.136 1.00 4.33 H new ATOM 1138 N ASP A 96 0.407 5.848 -4.055 1.00 0.71 N ATOM 1139 CA ASP A 96 -0.440 6.542 -3.091 1.00 0.81 C ATOM 1140 C ASP A 96 -0.581 7.993 -3.552 1.00 0.85 C ATOM 1141 O ASP A 96 -0.138 8.331 -4.649 1.00 1.36 O ATOM 1142 CB ASP A 96 0.192 6.495 -1.699 1.00 1.11 C ATOM 1143 CG ASP A 96 -0.810 6.736 -0.581 1.00 1.67 C ATOM 1144 OD1 ASP A 96 -1.590 5.813 -0.267 1.00 2.45 O ATOM 1145 OD2 ASP A 96 -0.817 7.854 -0.022 1.00 1.69 O ATOM 0 H ASP A 96 1.268 6.346 -4.282 1.00 0.71 H new ATOM 0 HA ASP A 96 -1.417 6.062 -3.034 1.00 0.81 H new ATOM 0 HB2 ASP A 96 0.663 5.523 -1.553 1.00 1.11 H new ATOM 0 HB3 ASP A 96 0.981 7.244 -1.639 1.00 1.11 H new ATOM 1150 N ARG A 97 -1.160 8.866 -2.728 1.00 0.97 N ATOM 1151 CA ARG A 97 -1.291 10.273 -3.098 1.00 1.31 C ATOM 1152 C ARG A 97 0.048 10.801 -3.619 1.00 1.52 C ATOM 1153 O ARG A 97 0.094 11.719 -4.437 1.00 1.99 O ATOM 1154 CB ARG A 97 -1.749 11.097 -1.893 1.00 1.45 C ATOM 1155 CG ARG A 97 -2.022 12.556 -2.219 1.00 1.62 C ATOM 1156 CD ARG A 97 -3.103 12.700 -3.277 1.00 1.98 C ATOM 1157 NE ARG A 97 -3.394 14.101 -3.570 1.00 2.55 N ATOM 1158 CZ ARG A 97 -4.219 14.497 -4.535 1.00 3.26 C ATOM 1159 NH1 ARG A 97 -4.828 13.602 -5.300 1.00 3.49 N ATOM 1160 NH2 ARG A 97 -4.432 15.789 -4.735 1.00 4.10 N ATOM 0 H ARG A 97 -1.541 8.628 -1.812 1.00 0.97 H new ATOM 0 HA ARG A 97 -2.039 10.363 -3.886 1.00 1.31 H new ATOM 0 HB2 ARG A 97 -2.654 10.650 -1.481 1.00 1.45 H new ATOM 0 HB3 ARG A 97 -0.986 11.044 -1.117 1.00 1.45 H new ATOM 0 HG2 ARG A 97 -2.326 13.081 -1.313 1.00 1.62 H new ATOM 0 HG3 ARG A 97 -1.104 13.029 -2.569 1.00 1.62 H new ATOM 0 HD2 ARG A 97 -2.787 12.196 -4.190 1.00 1.98 H new ATOM 0 HD3 ARG A 97 -4.012 12.204 -2.937 1.00 1.98 H new ATOM 0 HE ARG A 97 -2.939 14.816 -3.003 1.00 2.55 H new ATOM 0 HH11 ARG A 97 -4.664 12.607 -5.149 1.00 3.49 H new ATOM 0 HH12 ARG A 97 -5.460 13.909 -6.039 1.00 3.49 H new ATOM 0 HH21 ARG A 97 -3.963 16.480 -4.149 1.00 4.10 H new ATOM 0 HH22 ARG A 97 -5.065 16.093 -5.475 1.00 4.10 H new ATOM 1174 N GLY A 98 1.133 10.190 -3.140 1.00 1.57 N ATOM 1175 CA GLY A 98 2.464 10.579 -3.565 1.00 1.94 C ATOM 1176 C GLY A 98 2.978 9.713 -4.702 1.00 1.60 C ATOM 1177 O GLY A 98 3.614 10.214 -5.629 1.00 2.16 O ATOM 0 H GLY A 98 1.109 9.429 -2.462 1.00 1.57 H new ATOM 0 HA2 GLY A 98 2.452 11.622 -3.881 1.00 1.94 H new ATOM 0 HA3 GLY A 98 3.148 10.510 -2.720 1.00 1.94 H new ATOM 1181 N GLY A 99 2.692 8.410 -4.640 1.00 1.23 N ATOM 1182 CA GLY A 99 3.129 7.502 -5.692 1.00 1.25 C ATOM 1183 C GLY A 99 2.772 8.032 -7.068 1.00 1.56 C ATOM 1184 O GLY A 99 1.750 8.700 -7.229 1.00 2.33 O ATOM 0 H GLY A 99 2.168 7.970 -3.884 1.00 1.23 H new ATOM 0 HA2 GLY A 99 4.207 7.358 -5.625 1.00 1.25 H new ATOM 0 HA3 GLY A 99 2.667 6.525 -5.546 1.00 1.25 H new ATOM 1188 N TYR A 100 3.621 7.773 -8.060 1.00 1.47 N ATOM 1189 CA TYR A 100 3.369 8.282 -9.404 1.00 1.80 C ATOM 1190 C TYR A 100 4.297 7.635 -10.465 1.00 1.69 C ATOM 1191 O TYR A 100 4.312 6.410 -10.586 1.00 2.19 O ATOM 1192 CB TYR A 100 3.448 9.822 -9.381 1.00 2.04 C ATOM 1193 CG TYR A 100 4.388 10.410 -8.349 1.00 1.95 C ATOM 1194 CD1 TYR A 100 5.493 9.680 -7.943 1.00 2.11 C ATOM 1195 CD2 TYR A 100 4.203 11.678 -7.801 1.00 2.40 C ATOM 1196 CE1 TYR A 100 6.384 10.180 -7.026 1.00 2.30 C ATOM 1197 CE2 TYR A 100 5.101 12.192 -6.878 1.00 2.59 C ATOM 1198 CZ TYR A 100 6.039 11.538 -6.416 1.00 2.40 C ATOM 1199 OH TYR A 100 7.084 11.941 -5.578 1.00 2.76 O ATOM 0 H TYR A 100 4.475 7.224 -7.961 1.00 1.47 H new ATOM 0 HA TYR A 100 2.363 7.997 -9.712 1.00 1.80 H new ATOM 0 HB2 TYR A 100 3.757 10.168 -10.368 1.00 2.04 H new ATOM 0 HB3 TYR A 100 2.448 10.217 -9.204 1.00 2.04 H new ATOM 0 HD1 TYR A 100 5.657 8.696 -8.357 1.00 2.11 H new ATOM 0 HD2 TYR A 100 3.349 12.268 -8.099 1.00 2.40 H new ATOM 0 HE1 TYR A 100 7.280 9.643 -6.751 1.00 2.30 H new ATOM 0 HE2 TYR A 100 4.973 13.212 -6.548 1.00 2.59 H new ATOM 0 HH TYR A 100 6.870 12.812 -5.184 1.00 2.76 H new ATOM 1209 N LEU A 101 5.055 8.426 -11.246 1.00 1.42 N ATOM 1210 CA LEU A 101 5.934 7.859 -12.273 1.00 1.38 C ATOM 1211 C LEU A 101 7.125 7.168 -11.633 1.00 1.16 C ATOM 1212 O LEU A 101 7.620 6.158 -12.132 1.00 1.18 O ATOM 1213 CB LEU A 101 6.410 8.948 -13.233 1.00 1.57 C ATOM 1214 CG LEU A 101 5.305 9.619 -14.048 1.00 1.80 C ATOM 1215 CD1 LEU A 101 5.869 10.764 -14.876 1.00 2.20 C ATOM 1216 CD2 LEU A 101 4.612 8.601 -14.943 1.00 2.28 C ATOM 0 H LEU A 101 5.074 9.444 -11.184 1.00 1.42 H new ATOM 0 HA LEU A 101 5.365 7.121 -12.839 1.00 1.38 H new ATOM 0 HB2 LEU A 101 6.933 9.713 -12.660 1.00 1.57 H new ATOM 0 HB3 LEU A 101 7.135 8.513 -13.921 1.00 1.57 H new ATOM 0 HG LEU A 101 4.568 10.029 -13.357 1.00 1.80 H new ATOM 0 HD11 LEU A 101 5.066 11.229 -15.449 1.00 2.20 H new ATOM 0 HD12 LEU A 101 6.318 11.505 -14.214 1.00 2.20 H new ATOM 0 HD13 LEU A 101 6.627 10.380 -15.559 1.00 2.20 H new ATOM 0 HD21 LEU A 101 3.828 9.095 -15.517 1.00 2.28 H new ATOM 0 HD22 LEU A 101 5.339 8.162 -15.626 1.00 2.28 H new ATOM 0 HD23 LEU A 101 4.172 7.816 -14.328 1.00 2.28 H new ATOM 1228 N TYR A 102 7.547 7.714 -10.497 1.00 1.11 N ATOM 1229 CA TYR A 102 8.650 7.177 -9.702 1.00 0.96 C ATOM 1230 C TYR A 102 10.007 7.785 -10.051 1.00 1.03 C ATOM 1231 O TYR A 102 10.073 8.882 -10.601 1.00 1.54 O ATOM 1232 CB TYR A 102 8.706 5.653 -9.765 1.00 0.93 C ATOM 1233 CG TYR A 102 7.351 5.048 -9.667 1.00 0.90 C ATOM 1234 CD1 TYR A 102 6.468 5.432 -8.682 1.00 0.95 C ATOM 1235 CD2 TYR A 102 6.970 4.075 -10.565 1.00 0.93 C ATOM 1236 CE1 TYR A 102 5.223 4.856 -8.594 1.00 1.05 C ATOM 1237 CE2 TYR A 102 5.732 3.492 -10.493 1.00 1.01 C ATOM 1238 CZ TYR A 102 4.823 3.964 -9.469 1.00 1.06 C ATOM 1239 OH TYR A 102 3.613 3.313 -9.412 1.00 1.25 O ATOM 0 H TYR A 102 7.128 8.553 -10.096 1.00 1.11 H new ATOM 0 HA TYR A 102 8.435 7.471 -8.675 1.00 0.96 H new ATOM 0 HB2 TYR A 102 9.176 5.344 -10.699 1.00 0.93 H new ATOM 0 HB3 TYR A 102 9.331 5.278 -8.955 1.00 0.93 H new ATOM 0 HD1 TYR A 102 6.757 6.193 -7.972 1.00 0.95 H new ATOM 0 HD2 TYR A 102 7.658 3.767 -11.338 1.00 0.93 H new ATOM 0 HE1 TYR A 102 4.562 5.143 -7.790 1.00 1.05 H new ATOM 0 HE2 TYR A 102 5.444 2.707 -11.177 1.00 1.01 H new ATOM 0 HH TYR A 102 3.087 3.666 -8.664 1.00 1.25 H new ATOM 1249 N HIS A 103 11.090 7.071 -9.683 1.00 0.77 N ATOM 1250 CA HIS A 103 12.464 7.524 -9.903 1.00 0.89 C ATOM 1251 C HIS A 103 12.904 8.398 -8.728 1.00 0.87 C ATOM 1252 O HIS A 103 13.370 9.523 -8.909 1.00 1.36 O ATOM 1253 CB HIS A 103 12.596 8.283 -11.228 1.00 1.19 C ATOM 1254 CG HIS A 103 14.013 8.532 -11.645 1.00 1.63 C ATOM 1255 ND1 HIS A 103 14.938 9.165 -10.842 1.00 2.23 N ATOM 1256 CD2 HIS A 103 14.664 8.226 -12.794 1.00 2.09 C ATOM 1257 CE1 HIS A 103 16.095 9.240 -11.478 1.00 2.54 C ATOM 1258 NE2 HIS A 103 15.955 8.677 -12.663 1.00 2.39 N ATOM 0 H HIS A 103 11.028 6.162 -9.224 1.00 0.77 H new ATOM 0 HA HIS A 103 13.115 6.652 -9.966 1.00 0.89 H new ATOM 0 HB2 HIS A 103 12.091 7.718 -12.011 1.00 1.19 H new ATOM 0 HB3 HIS A 103 12.080 9.239 -11.141 1.00 1.19 H new ATOM 0 HD1 HIS A 103 14.758 9.520 -9.903 1.00 2.23 H new ATOM 0 HD2 HIS A 103 14.246 7.722 -13.652 1.00 2.09 H new ATOM 0 HE1 HIS A 103 17.000 9.686 -11.093 1.00 2.54 H new ATOM 1267 N GLY A 104 12.726 7.863 -7.515 1.00 0.90 N ATOM 1268 CA GLY A 104 13.082 8.593 -6.306 1.00 0.97 C ATOM 1269 C GLY A 104 13.193 7.696 -5.078 1.00 0.93 C ATOM 1270 O GLY A 104 13.739 6.596 -5.160 1.00 1.07 O ATOM 0 H GLY A 104 12.340 6.933 -7.351 1.00 0.90 H new ATOM 0 HA2 GLY A 104 14.032 9.103 -6.463 1.00 0.97 H new ATOM 0 HA3 GLY A 104 12.334 9.363 -6.120 1.00 0.97 H new ATOM 1274 N ARG A 105 12.691 8.171 -3.931 1.00 0.88 N ATOM 1275 CA ARG A 105 12.767 7.397 -2.687 1.00 0.90 C ATOM 1276 C ARG A 105 11.539 6.502 -2.475 1.00 0.73 C ATOM 1277 O ARG A 105 11.660 5.278 -2.459 1.00 0.92 O ATOM 1278 CB ARG A 105 12.939 8.350 -1.506 1.00 1.06 C ATOM 1279 CG ARG A 105 14.289 9.051 -1.495 1.00 1.51 C ATOM 1280 CD ARG A 105 14.364 10.127 -0.422 1.00 1.92 C ATOM 1281 NE ARG A 105 15.679 10.760 -0.380 1.00 2.44 N ATOM 1282 CZ ARG A 105 15.943 11.872 0.299 1.00 3.16 C ATOM 1283 NH1 ARG A 105 14.986 12.472 0.992 1.00 3.59 N ATOM 1284 NH2 ARG A 105 17.167 12.385 0.286 1.00 3.76 N ATOM 0 H ARG A 105 12.233 9.078 -3.839 1.00 0.88 H new ATOM 0 HA ARG A 105 13.629 6.734 -2.761 1.00 0.90 H new ATOM 0 HB2 ARG A 105 12.148 9.099 -1.533 1.00 1.06 H new ATOM 0 HB3 ARG A 105 12.818 7.793 -0.577 1.00 1.06 H new ATOM 0 HG2 ARG A 105 15.077 8.317 -1.328 1.00 1.51 H new ATOM 0 HG3 ARG A 105 14.473 9.499 -2.471 1.00 1.51 H new ATOM 0 HD2 ARG A 105 13.602 10.883 -0.612 1.00 1.92 H new ATOM 0 HD3 ARG A 105 14.141 9.687 0.550 1.00 1.92 H new ATOM 0 HE ARG A 105 16.439 10.324 -0.902 1.00 2.44 H new ATOM 0 HH11 ARG A 105 14.044 12.081 1.005 1.00 3.59 H new ATOM 0 HH12 ARG A 105 15.191 13.325 1.512 1.00 3.59 H new ATOM 0 HH21 ARG A 105 17.907 11.926 -0.246 1.00 3.76 H new ATOM 0 HH22 ARG A 105 17.368 13.238 0.807 1.00 3.76 H new ATOM 1298 N VAL A 106 10.351 7.099 -2.353 1.00 0.59 N ATOM 1299 CA VAL A 106 9.123 6.310 -2.192 1.00 0.62 C ATOM 1300 C VAL A 106 8.884 5.579 -3.500 1.00 0.67 C ATOM 1301 O VAL A 106 8.520 4.398 -3.554 1.00 0.70 O ATOM 1302 CB VAL A 106 7.901 7.205 -1.827 1.00 0.79 C ATOM 1303 CG1 VAL A 106 8.342 8.364 -0.953 1.00 1.42 C ATOM 1304 CG2 VAL A 106 7.169 7.734 -3.062 1.00 1.76 C ATOM 0 H VAL A 106 10.211 8.109 -2.362 1.00 0.59 H new ATOM 0 HA VAL A 106 9.241 5.606 -1.368 1.00 0.62 H new ATOM 0 HB VAL A 106 7.199 6.575 -1.280 1.00 0.79 H new ATOM 0 HG11 VAL A 106 7.479 8.982 -0.705 1.00 1.42 H new ATOM 0 HG12 VAL A 106 8.788 7.979 -0.036 1.00 1.42 H new ATOM 0 HG13 VAL A 106 9.076 8.965 -1.489 1.00 1.42 H new ATOM 0 HG21 VAL A 106 6.327 8.351 -2.749 1.00 1.76 H new ATOM 0 HG22 VAL A 106 7.854 8.332 -3.662 1.00 1.76 H new ATOM 0 HG23 VAL A 106 6.804 6.896 -3.655 1.00 1.76 H new ATOM 1314 N LYS A 107 9.139 6.336 -4.549 1.00 0.76 N ATOM 1315 CA LYS A 107 9.037 5.900 -5.910 1.00 0.89 C ATOM 1316 C LYS A 107 9.646 4.515 -6.092 1.00 0.75 C ATOM 1317 O LYS A 107 9.211 3.742 -6.943 1.00 0.76 O ATOM 1318 CB LYS A 107 9.784 6.940 -6.727 1.00 1.17 C ATOM 1319 CG LYS A 107 9.129 8.308 -6.654 1.00 1.89 C ATOM 1320 CD LYS A 107 9.796 9.314 -7.571 1.00 2.96 C ATOM 1321 CE LYS A 107 10.075 10.623 -6.850 1.00 3.87 C ATOM 1322 NZ LYS A 107 10.701 11.631 -7.749 1.00 4.87 N ATOM 0 H LYS A 107 9.434 7.309 -4.463 1.00 0.76 H new ATOM 0 HA LYS A 107 7.997 5.813 -6.226 1.00 0.89 H new ATOM 0 HB2 LYS A 107 10.811 7.012 -6.369 1.00 1.17 H new ATOM 0 HB3 LYS A 107 9.831 6.617 -7.767 1.00 1.17 H new ATOM 0 HG2 LYS A 107 8.076 8.219 -6.921 1.00 1.89 H new ATOM 0 HG3 LYS A 107 9.168 8.673 -5.628 1.00 1.89 H new ATOM 0 HD2 LYS A 107 10.730 8.899 -7.950 1.00 2.96 H new ATOM 0 HD3 LYS A 107 9.157 9.501 -8.434 1.00 2.96 H new ATOM 0 HE2 LYS A 107 9.143 11.023 -6.450 1.00 3.87 H new ATOM 0 HE3 LYS A 107 10.732 10.436 -6.001 1.00 3.87 H new ATOM 0 HZ1 LYS A 107 10.875 12.509 -7.219 1.00 4.87 H new ATOM 0 HZ2 LYS A 107 11.603 11.261 -8.111 1.00 4.87 H new ATOM 0 HZ3 LYS A 107 10.063 11.829 -8.546 1.00 4.87 H new ATOM 1336 N ALA A 108 10.644 4.205 -5.273 1.00 0.77 N ATOM 1337 CA ALA A 108 11.299 2.909 -5.335 1.00 0.73 C ATOM 1338 C ALA A 108 10.287 1.791 -5.169 1.00 0.63 C ATOM 1339 O ALA A 108 10.131 0.957 -6.050 1.00 0.68 O ATOM 1340 CB ALA A 108 12.369 2.799 -4.271 1.00 0.85 C ATOM 0 H ALA A 108 11.015 4.833 -4.560 1.00 0.77 H new ATOM 0 HA ALA A 108 11.769 2.815 -6.314 1.00 0.73 H new ATOM 0 HB1 ALA A 108 12.847 1.821 -4.335 1.00 0.85 H new ATOM 0 HB2 ALA A 108 13.116 3.578 -4.424 1.00 0.85 H new ATOM 0 HB3 ALA A 108 11.917 2.918 -3.286 1.00 0.85 H new ATOM 1346 N LEU A 109 9.596 1.785 -4.036 1.00 0.70 N ATOM 1347 CA LEU A 109 8.585 0.770 -3.767 1.00 0.80 C ATOM 1348 C LEU A 109 7.592 0.704 -4.907 1.00 0.66 C ATOM 1349 O LEU A 109 7.462 -0.316 -5.582 1.00 0.76 O ATOM 1350 CB LEU A 109 7.843 1.093 -2.473 1.00 1.05 C ATOM 1351 CG LEU A 109 6.552 0.292 -2.236 1.00 1.76 C ATOM 1352 CD1 LEU A 109 6.863 -1.116 -1.752 1.00 2.64 C ATOM 1353 CD2 LEU A 109 5.644 1.021 -1.256 1.00 2.27 C ATOM 0 H LEU A 109 9.717 2.470 -3.290 1.00 0.70 H new ATOM 0 HA LEU A 109 9.085 -0.193 -3.667 1.00 0.80 H new ATOM 0 HB2 LEU A 109 8.517 0.920 -1.634 1.00 1.05 H new ATOM 0 HB3 LEU A 109 7.597 2.155 -2.470 1.00 1.05 H new ATOM 0 HG LEU A 109 6.026 0.205 -3.186 1.00 1.76 H new ATOM 0 HD11 LEU A 109 5.932 -1.660 -1.592 1.00 2.64 H new ATOM 0 HD12 LEU A 109 7.462 -1.634 -2.501 1.00 2.64 H new ATOM 0 HD13 LEU A 109 7.418 -1.064 -0.815 1.00 2.64 H new ATOM 0 HD21 LEU A 109 4.735 0.440 -1.100 1.00 2.27 H new ATOM 0 HD22 LEU A 109 6.162 1.147 -0.305 1.00 2.27 H new ATOM 0 HD23 LEU A 109 5.384 1.999 -1.660 1.00 2.27 H new ATOM 1365 N ALA A 110 6.894 1.811 -5.115 1.00 0.56 N ATOM 1366 CA ALA A 110 5.910 1.889 -6.177 1.00 0.60 C ATOM 1367 C ALA A 110 6.541 1.501 -7.517 1.00 0.59 C ATOM 1368 O ALA A 110 5.846 1.095 -8.448 1.00 0.70 O ATOM 1369 CB ALA A 110 5.297 3.280 -6.213 1.00 0.79 C ATOM 0 H ALA A 110 6.992 2.663 -4.563 1.00 0.56 H new ATOM 0 HA ALA A 110 5.106 1.179 -5.983 1.00 0.60 H new ATOM 0 HB1 ALA A 110 4.559 3.332 -7.013 1.00 0.79 H new ATOM 0 HB2 ALA A 110 4.813 3.489 -5.259 1.00 0.79 H new ATOM 0 HB3 ALA A 110 6.079 4.018 -6.393 1.00 0.79 H new ATOM 1375 N ASP A 111 7.871 1.607 -7.593 1.00 0.57 N ATOM 1376 CA ASP A 111 8.612 1.247 -8.790 1.00 0.59 C ATOM 1377 C ASP A 111 8.920 -0.250 -8.802 1.00 0.55 C ATOM 1378 O ASP A 111 8.815 -0.905 -9.835 1.00 0.56 O ATOM 1379 CB ASP A 111 9.913 2.048 -8.884 1.00 0.78 C ATOM 1380 CG ASP A 111 10.757 1.639 -10.074 1.00 0.84 C ATOM 1381 OD1 ASP A 111 10.523 2.171 -11.179 1.00 0.88 O ATOM 1382 OD2 ASP A 111 11.655 0.789 -9.900 1.00 0.94 O ATOM 0 H ASP A 111 8.455 1.944 -6.827 1.00 0.57 H new ATOM 0 HA ASP A 111 7.992 1.486 -9.654 1.00 0.59 H new ATOM 0 HB2 ASP A 111 9.678 3.110 -8.956 1.00 0.78 H new ATOM 0 HB3 ASP A 111 10.489 1.910 -7.969 1.00 0.78 H new ATOM 1387 N ALA A 112 9.290 -0.784 -7.636 1.00 0.61 N ATOM 1388 CA ALA A 112 9.604 -2.203 -7.500 1.00 0.70 C ATOM 1389 C ALA A 112 8.481 -3.041 -8.071 1.00 0.67 C ATOM 1390 O ALA A 112 8.701 -3.932 -8.891 1.00 0.75 O ATOM 1391 CB ALA A 112 9.823 -2.565 -6.037 1.00 0.82 C ATOM 0 H ALA A 112 9.379 -0.251 -6.771 1.00 0.61 H new ATOM 0 HA ALA A 112 10.521 -2.407 -8.053 1.00 0.70 H new ATOM 0 HB1 ALA A 112 10.056 -3.627 -5.956 1.00 0.82 H new ATOM 0 HB2 ALA A 112 10.652 -1.980 -5.638 1.00 0.82 H new ATOM 0 HB3 ALA A 112 8.918 -2.348 -5.469 1.00 0.82 H new ATOM 1397 N ALA A 113 7.271 -2.739 -7.628 1.00 0.64 N ATOM 1398 CA ALA A 113 6.101 -3.451 -8.088 1.00 0.72 C ATOM 1399 C ALA A 113 5.725 -3.006 -9.492 1.00 0.67 C ATOM 1400 O ALA A 113 5.702 -3.808 -10.422 1.00 0.86 O ATOM 1401 CB ALA A 113 4.947 -3.220 -7.129 1.00 0.77 C ATOM 0 H ALA A 113 7.079 -2.003 -6.949 1.00 0.64 H new ATOM 0 HA ALA A 113 6.326 -4.517 -8.118 1.00 0.72 H new ATOM 0 HB1 ALA A 113 4.068 -3.759 -7.481 1.00 0.77 H new ATOM 0 HB2 ALA A 113 5.220 -3.580 -6.137 1.00 0.77 H new ATOM 0 HB3 ALA A 113 4.723 -2.154 -7.079 1.00 0.77 H new ATOM 1407 N ARG A 114 5.448 -1.716 -9.657 1.00 0.57 N ATOM 1408 CA ARG A 114 5.081 -1.196 -10.966 1.00 0.62 C ATOM 1409 C ARG A 114 6.044 -1.700 -12.043 1.00 0.65 C ATOM 1410 O ARG A 114 5.626 -2.061 -13.143 1.00 0.75 O ATOM 1411 CB ARG A 114 5.045 0.331 -10.981 1.00 0.69 C ATOM 1412 CG ARG A 114 4.394 0.885 -12.239 1.00 1.00 C ATOM 1413 CD ARG A 114 3.092 1.604 -11.927 1.00 1.56 C ATOM 1414 NE ARG A 114 2.372 1.980 -13.140 1.00 1.95 N ATOM 1415 CZ ARG A 114 2.627 3.082 -13.839 1.00 2.59 C ATOM 1416 NH1 ARG A 114 3.588 3.911 -13.455 1.00 3.23 N ATOM 1417 NH2 ARG A 114 1.921 3.356 -14.929 1.00 3.01 N ATOM 0 H ARG A 114 5.470 -1.021 -8.911 1.00 0.57 H new ATOM 0 HA ARG A 114 4.078 -1.562 -11.183 1.00 0.62 H new ATOM 0 HB2 ARG A 114 4.500 0.687 -10.107 1.00 0.69 H new ATOM 0 HB3 ARG A 114 6.062 0.716 -10.902 1.00 0.69 H new ATOM 0 HG2 ARG A 114 5.081 1.573 -12.732 1.00 1.00 H new ATOM 0 HG3 ARG A 114 4.202 0.071 -12.938 1.00 1.00 H new ATOM 0 HD2 ARG A 114 2.460 0.961 -11.315 1.00 1.56 H new ATOM 0 HD3 ARG A 114 3.303 2.497 -11.339 1.00 1.56 H new ATOM 0 HE ARG A 114 1.631 1.362 -13.470 1.00 1.95 H new ATOM 0 HH11 ARG A 114 4.136 3.705 -12.620 1.00 3.23 H new ATOM 0 HH12 ARG A 114 3.779 4.755 -13.995 1.00 3.23 H new ATOM 0 HH21 ARG A 114 1.182 2.721 -15.231 1.00 3.01 H new ATOM 0 HH22 ARG A 114 2.117 4.202 -15.465 1.00 3.01 H new ATOM 1431 N GLU A 115 7.333 -1.737 -11.708 1.00 0.63 N ATOM 1432 CA GLU A 115 8.349 -2.216 -12.640 1.00 0.71 C ATOM 1433 C GLU A 115 8.078 -3.669 -12.999 1.00 0.85 C ATOM 1434 O GLU A 115 7.946 -4.015 -14.173 1.00 1.02 O ATOM 1435 CB GLU A 115 9.748 -2.077 -12.035 1.00 0.67 C ATOM 1436 CG GLU A 115 10.856 -2.609 -12.931 1.00 1.21 C ATOM 1437 CD GLU A 115 12.223 -2.528 -12.279 1.00 1.83 C ATOM 1438 OE1 GLU A 115 12.892 -1.485 -12.431 1.00 1.97 O ATOM 1439 OE2 GLU A 115 12.623 -3.507 -11.615 1.00 2.59 O ATOM 0 H GLU A 115 7.696 -1.442 -10.802 1.00 0.63 H new ATOM 0 HA GLU A 115 8.304 -1.608 -13.544 1.00 0.71 H new ATOM 0 HB2 GLU A 115 9.939 -1.025 -11.821 1.00 0.67 H new ATOM 0 HB3 GLU A 115 9.777 -2.606 -11.083 1.00 0.67 H new ATOM 0 HG2 GLU A 115 10.642 -3.646 -13.190 1.00 1.21 H new ATOM 0 HG3 GLU A 115 10.868 -2.043 -13.863 1.00 1.21 H new ATOM 1446 N ALA A 116 7.967 -4.517 -11.976 1.00 0.84 N ATOM 1447 CA ALA A 116 7.679 -5.931 -12.184 1.00 1.03 C ATOM 1448 C ALA A 116 6.478 -6.088 -13.110 1.00 1.11 C ATOM 1449 O ALA A 116 6.340 -7.090 -13.812 1.00 1.28 O ATOM 1450 CB ALA A 116 7.413 -6.623 -10.852 1.00 1.08 C ATOM 0 H ALA A 116 8.072 -4.247 -10.998 1.00 0.84 H new ATOM 0 HA ALA A 116 8.547 -6.400 -12.648 1.00 1.03 H new ATOM 0 HB1 ALA A 116 7.200 -7.678 -11.026 1.00 1.08 H new ATOM 0 HB2 ALA A 116 8.291 -6.531 -10.212 1.00 1.08 H new ATOM 0 HB3 ALA A 116 6.558 -6.156 -10.364 1.00 1.08 H new ATOM 1456 N GLY A 117 5.615 -5.077 -13.100 1.00 1.01 N ATOM 1457 CA GLY A 117 4.433 -5.089 -13.931 1.00 1.09 C ATOM 1458 C GLY A 117 3.172 -4.999 -13.112 1.00 0.98 C ATOM 1459 O GLY A 117 2.252 -5.801 -13.273 1.00 1.07 O ATOM 0 H GLY A 117 5.719 -4.242 -12.523 1.00 1.01 H new ATOM 0 HA2 GLY A 117 4.472 -4.254 -14.631 1.00 1.09 H new ATOM 0 HA3 GLY A 117 4.416 -6.003 -14.525 1.00 1.09 H new ATOM 1463 N LEU A 118 3.135 -4.015 -12.227 1.00 0.99 N ATOM 1464 CA LEU A 118 1.980 -3.814 -11.369 1.00 1.08 C ATOM 1465 C LEU A 118 1.190 -2.571 -11.767 1.00 0.96 C ATOM 1466 O LEU A 118 1.600 -1.441 -11.501 1.00 1.25 O ATOM 1467 CB LEU A 118 2.393 -3.742 -9.896 1.00 1.61 C ATOM 1468 CG LEU A 118 2.666 -5.096 -9.233 1.00 2.05 C ATOM 1469 CD1 LEU A 118 4.004 -5.653 -9.671 1.00 2.65 C ATOM 1470 CD2 LEU A 118 2.582 -4.987 -7.719 1.00 2.48 C ATOM 0 H LEU A 118 3.891 -3.345 -12.085 1.00 0.99 H new ATOM 0 HA LEU A 118 1.327 -4.677 -11.501 1.00 1.08 H new ATOM 0 HB2 LEU A 118 3.290 -3.128 -9.815 1.00 1.61 H new ATOM 0 HB3 LEU A 118 1.607 -3.233 -9.338 1.00 1.61 H new ATOM 0 HG LEU A 118 1.894 -5.793 -9.558 1.00 2.05 H new ATOM 0 HD11 LEU A 118 4.174 -6.614 -9.186 1.00 2.65 H new ATOM 0 HD12 LEU A 118 4.006 -5.786 -10.753 1.00 2.65 H new ATOM 0 HD13 LEU A 118 4.797 -4.960 -9.390 1.00 2.65 H new ATOM 0 HD21 LEU A 118 2.780 -5.962 -7.273 1.00 2.48 H new ATOM 0 HD22 LEU A 118 3.321 -4.269 -7.364 1.00 2.48 H new ATOM 0 HD23 LEU A 118 1.585 -4.652 -7.433 1.00 2.48 H new ATOM 1482 N GLU A 119 0.057 -2.802 -12.425 1.00 0.73 N ATOM 1483 CA GLU A 119 -0.810 -1.727 -12.894 1.00 0.78 C ATOM 1484 C GLU A 119 -1.899 -1.378 -11.884 1.00 0.72 C ATOM 1485 O GLU A 119 -2.432 -2.255 -11.215 1.00 0.66 O ATOM 1486 CB GLU A 119 -1.489 -2.162 -14.188 1.00 0.84 C ATOM 1487 CG GLU A 119 -0.583 -2.947 -15.116 1.00 1.48 C ATOM 1488 CD GLU A 119 -1.020 -2.871 -16.566 1.00 2.17 C ATOM 1489 OE1 GLU A 119 -0.589 -1.931 -17.266 1.00 2.56 O ATOM 1490 OE2 GLU A 119 -1.792 -3.751 -17.000 1.00 2.85 O ATOM 0 H GLU A 119 -0.284 -3.737 -12.647 1.00 0.73 H new ATOM 0 HA GLU A 119 -0.184 -0.847 -13.043 1.00 0.78 H new ATOM 0 HB2 GLU A 119 -2.360 -2.770 -13.944 1.00 0.84 H new ATOM 0 HB3 GLU A 119 -1.854 -1.278 -14.712 1.00 0.84 H new ATOM 0 HG2 GLU A 119 0.435 -2.569 -15.028 1.00 1.48 H new ATOM 0 HG3 GLU A 119 -0.564 -3.990 -14.801 1.00 1.48 H new ATOM 1497 N PHE A 120 -2.259 -0.096 -11.820 1.00 0.85 N ATOM 1498 CA PHE A 120 -3.325 0.363 -10.929 1.00 0.91 C ATOM 1499 C PHE A 120 -3.520 1.873 -11.038 1.00 1.15 C ATOM 1500 O PHE A 120 -4.097 2.466 -10.101 1.00 1.57 O ATOM 1501 CB PHE A 120 -3.062 -0.040 -9.473 1.00 0.78 C ATOM 1502 CG PHE A 120 -4.200 0.297 -8.550 1.00 1.08 C ATOM 1503 CD1 PHE A 120 -5.435 -0.319 -8.702 1.00 1.42 C ATOM 1504 CD2 PHE A 120 -4.047 1.244 -7.547 1.00 1.53 C ATOM 1505 CE1 PHE A 120 -6.495 0.009 -7.878 1.00 1.77 C ATOM 1506 CE2 PHE A 120 -5.102 1.568 -6.716 1.00 1.97 C ATOM 1507 CZ PHE A 120 -6.327 0.953 -6.886 1.00 1.95 C ATOM 1508 OXT PHE A 120 -3.108 2.450 -12.067 1.00 1.71 O ATOM 0 H PHE A 120 -1.828 0.643 -12.375 1.00 0.85 H new ATOM 0 HA PHE A 120 -4.244 -0.128 -11.249 1.00 0.91 H new ATOM 0 HB2 PHE A 120 -2.872 -1.112 -9.428 1.00 0.78 H new ATOM 0 HB3 PHE A 120 -2.158 0.459 -9.122 1.00 0.78 H new ATOM 0 HD1 PHE A 120 -5.569 -1.063 -9.473 1.00 1.42 H new ATOM 0 HD2 PHE A 120 -3.093 1.733 -7.415 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -7.453 -0.473 -8.010 1.00 1.77 H new ATOM 0 HE2 PHE A 120 -4.969 2.301 -5.934 1.00 1.97 H new ATOM 0 HZ PHE A 120 -7.154 1.211 -6.242 1.00 1.95 H new TER 1518 PHE A 120