USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 925 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 67 LYS NZ :NH3+ 134:sc= 2.54 (180deg=0.704) USER MOD Set 1.2: A 93 SER OG : rot 136:sc= 1.08 USER MOD Set 2.1: A 24 ASN : amide:sc= -4.56! K(o=-8.8!,f=-1.8) USER MOD Set 2.2: A 29 GLN : amide:sc= -4.28! K(o=-8.8!,f=-1.2) USER MOD Set 3.1: A 20 ASN : amide:sc= -4.2! K(o=-6!,f=-3.6) USER MOD Set 3.2: A 32 GLN : amide:sc= -1.76! C(o=-6!,f=-3.6!) USER MOD Single : A 3 ASN : amide:sc= 1.23 K(o=1.2,f=-0.093) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.456 K(o=0.46,f=-2.7!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.09) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -173:sc= 0.71 USER MOD Single : A 35 ASN : amide:sc= -2.82! K(o=-2.8!,f=-0.33) USER MOD Single : A 38 GLN : amide:sc= -5.22! K(o=-5.2!,f=-1.8) USER MOD Single : A 44 THR OG1 : rot -24:sc= 0.153 USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.09) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= -0.0694 (180deg=-0.25) USER MOD Single : A 60 MET CE :methyl -147:sc= 0 (180deg=-1.05) USER MOD Single : A 69 MET CE :methyl -124:sc= 0 (180deg=-3.01!) USER MOD Single : A 70 LYS NZ :NH3+ 143:sc= -7.02! (180deg=-11!) USER MOD Single : A 75 ASN : amide:sc= 0.55 K(o=0.55,f=0) USER MOD Single : A 81 MET CE :methyl -167:sc= -0.0445 (180deg=-0.314) USER MOD Single : A 82 THR OG1 : rot -131:sc= -0.0949! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -145:sc= -0.187 (180deg=-0.71) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= 0.189 K(o=0.19,f=-1.6) USER MOD Single : A 116 LYS NZ :NH3+ -165:sc= -0.0443 (180deg=-0.32) USER MOD Single : A 117 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0653) USER MOD Single : A 118 TYR OH : rot 30:sc= -0.795 USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 -10.152 6.698 10.408 1.00 0.60 N ATOM 38 CA ASN A 3 -10.202 5.301 9.990 1.00 0.58 C ATOM 39 C ASN A 3 -9.529 5.110 8.636 1.00 0.41 C ATOM 40 O ASN A 3 -9.290 3.985 8.193 1.00 0.47 O ATOM 41 CB ASN A 3 -11.642 4.767 9.957 1.00 0.73 C ATOM 42 CG ASN A 3 -12.459 5.294 8.797 1.00 1.80 C ATOM 43 OD1 ASN A 3 -13.280 4.576 8.229 1.00 2.57 O ATOM 44 ND2 ASN A 3 -12.276 6.554 8.457 1.00 2.06 N ATOM 0 HA ASN A 3 -9.652 4.724 10.733 1.00 0.58 H new ATOM 0 HB2 ASN A 3 -11.616 3.678 9.907 1.00 0.73 H new ATOM 0 HB3 ASN A 3 -12.140 5.031 10.890 1.00 0.73 H new ATOM 0 HD21 ASN A 3 -12.825 6.963 7.701 1.00 2.06 H new ATOM 0 HD22 ASN A 3 -11.586 7.120 8.950 1.00 2.06 H new ATOM 51 N GLU A 4 -9.219 6.218 7.992 1.00 0.28 N ATOM 52 CA GLU A 4 -8.472 6.213 6.749 1.00 0.20 C ATOM 53 C GLU A 4 -6.982 6.103 7.064 1.00 0.17 C ATOM 54 O GLU A 4 -6.433 6.971 7.736 1.00 0.20 O ATOM 55 CB GLU A 4 -8.762 7.501 5.965 1.00 0.24 C ATOM 56 CG GLU A 4 -8.694 8.773 6.815 1.00 0.39 C ATOM 57 CD GLU A 4 -10.041 9.143 7.398 1.00 0.99 C ATOM 58 OE1 GLU A 4 -10.428 8.559 8.427 1.00 1.26 O ATOM 59 OE2 GLU A 4 -10.713 10.026 6.826 1.00 1.70 O ATOM 0 H GLU A 4 -9.479 7.150 8.317 1.00 0.28 H new ATOM 0 HA GLU A 4 -8.772 5.362 6.138 1.00 0.20 H new ATOM 0 HB2 GLU A 4 -8.048 7.585 5.146 1.00 0.24 H new ATOM 0 HB3 GLU A 4 -9.753 7.427 5.518 1.00 0.24 H new ATOM 0 HG2 GLU A 4 -7.977 8.630 7.623 1.00 0.39 H new ATOM 0 HG3 GLU A 4 -8.326 9.597 6.204 1.00 0.39 H new ATOM 66 N LYS A 5 -6.332 5.019 6.630 1.00 0.17 N ATOM 67 CA LYS A 5 -4.917 4.812 6.955 1.00 0.18 C ATOM 68 C LYS A 5 -4.146 4.078 5.856 1.00 0.17 C ATOM 69 O LYS A 5 -4.595 3.057 5.363 1.00 0.18 O ATOM 70 CB LYS A 5 -4.757 4.045 8.271 1.00 0.26 C ATOM 71 CG LYS A 5 -6.054 3.603 8.940 1.00 0.79 C ATOM 72 CD LYS A 5 -6.462 4.546 10.067 1.00 0.87 C ATOM 73 CE LYS A 5 -5.461 4.521 11.213 1.00 1.27 C ATOM 74 NZ LYS A 5 -5.861 5.418 12.332 1.00 1.93 N ATOM 0 H LYS A 5 -6.753 4.283 6.063 1.00 0.17 H new ATOM 0 HA LYS A 5 -4.493 5.811 7.051 1.00 0.18 H new ATOM 0 HB2 LYS A 5 -4.147 3.161 8.083 1.00 0.26 H new ATOM 0 HB3 LYS A 5 -4.204 4.672 8.971 1.00 0.26 H new ATOM 0 HG2 LYS A 5 -6.850 3.560 8.196 1.00 0.79 H new ATOM 0 HG3 LYS A 5 -5.933 2.595 9.336 1.00 0.79 H new ATOM 0 HD2 LYS A 5 -6.546 5.561 9.679 1.00 0.87 H new ATOM 0 HD3 LYS A 5 -7.447 4.264 10.438 1.00 0.87 H new ATOM 0 HE2 LYS A 5 -5.363 3.501 11.585 1.00 1.27 H new ATOM 0 HE3 LYS A 5 -4.481 4.821 10.843 1.00 1.27 H new ATOM 0 HZ1 LYS A 5 -5.149 5.368 13.089 1.00 1.93 H new ATOM 0 HZ2 LYS A 5 -5.929 6.396 11.985 1.00 1.93 H new ATOM 0 HZ3 LYS A 5 -6.784 5.118 12.705 1.00 1.93 H new ATOM 88 N ILE A 6 -2.953 4.586 5.520 1.00 0.16 N ATOM 89 CA ILE A 6 -2.081 3.959 4.517 1.00 0.15 C ATOM 90 C ILE A 6 -0.618 4.039 4.976 1.00 0.15 C ATOM 91 O ILE A 6 -0.228 4.993 5.639 1.00 0.20 O ATOM 92 CB ILE A 6 -2.186 4.654 3.137 1.00 0.17 C ATOM 93 CG1 ILE A 6 -3.620 4.639 2.618 1.00 0.18 C ATOM 94 CG2 ILE A 6 -1.264 3.984 2.125 1.00 0.18 C ATOM 95 CD1 ILE A 6 -3.797 5.384 1.314 1.00 0.19 C ATOM 0 H ILE A 6 -2.567 5.436 5.931 1.00 0.16 H new ATOM 0 HA ILE A 6 -2.407 2.924 4.416 1.00 0.15 H new ATOM 0 HB ILE A 6 -1.877 5.691 3.268 1.00 0.17 H new ATOM 0 HG12 ILE A 6 -3.938 3.605 2.483 1.00 0.18 H new ATOM 0 HG13 ILE A 6 -4.275 5.079 3.370 1.00 0.18 H new ATOM 0 HG21 ILE A 6 -1.353 4.488 1.162 1.00 0.18 H new ATOM 0 HG22 ILE A 6 -0.233 4.048 2.474 1.00 0.18 H new ATOM 0 HG23 ILE A 6 -1.545 2.937 2.014 1.00 0.18 H new ATOM 0 HD11 ILE A 6 -4.841 5.332 1.004 1.00 0.19 H new ATOM 0 HD12 ILE A 6 -3.510 6.427 1.449 1.00 0.19 H new ATOM 0 HD13 ILE A 6 -3.168 4.931 0.548 1.00 0.19 H new ATOM 107 N LEU A 7 0.192 3.048 4.630 1.00 0.14 N ATOM 108 CA LEU A 7 1.603 3.066 5.007 1.00 0.16 C ATOM 109 C LEU A 7 2.515 3.003 3.782 1.00 0.25 C ATOM 110 O LEU A 7 2.645 1.955 3.174 1.00 0.59 O ATOM 111 CB LEU A 7 1.901 1.887 5.931 1.00 0.23 C ATOM 112 CG LEU A 7 2.966 2.154 6.998 1.00 0.27 C ATOM 113 CD1 LEU A 7 4.321 2.417 6.365 1.00 0.69 C ATOM 114 CD2 LEU A 7 2.559 3.337 7.850 1.00 0.47 C ATOM 0 H LEU A 7 -0.097 2.229 4.095 1.00 0.14 H new ATOM 0 HA LEU A 7 1.801 4.005 5.524 1.00 0.16 H new ATOM 0 HB2 LEU A 7 0.977 1.591 6.428 1.00 0.23 H new ATOM 0 HB3 LEU A 7 2.221 1.041 5.323 1.00 0.23 H new ATOM 0 HG LEU A 7 3.048 1.266 7.625 1.00 0.27 H new ATOM 0 HD11 LEU A 7 5.058 2.603 7.146 1.00 0.69 H new ATOM 0 HD12 LEU A 7 4.624 1.549 5.780 1.00 0.69 H new ATOM 0 HD13 LEU A 7 4.255 3.288 5.713 1.00 0.69 H new ATOM 0 HD21 LEU A 7 3.322 3.520 8.607 1.00 0.47 H new ATOM 0 HD22 LEU A 7 2.453 4.220 7.220 1.00 0.47 H new ATOM 0 HD23 LEU A 7 1.608 3.124 8.338 1.00 0.47 H new ATOM 126 N ILE A 8 3.162 4.115 3.445 1.00 0.19 N ATOM 127 CA ILE A 8 4.068 4.166 2.292 1.00 0.19 C ATOM 128 C ILE A 8 5.489 3.781 2.721 1.00 0.19 C ATOM 129 O ILE A 8 6.077 4.430 3.588 1.00 0.24 O ATOM 130 CB ILE A 8 4.106 5.579 1.650 1.00 0.22 C ATOM 131 CG1 ILE A 8 2.730 5.992 1.116 1.00 0.23 C ATOM 132 CG2 ILE A 8 5.133 5.627 0.528 1.00 0.28 C ATOM 133 CD1 ILE A 8 1.751 6.426 2.184 1.00 0.20 C ATOM 0 H ILE A 8 3.078 4.996 3.952 1.00 0.19 H new ATOM 0 HA ILE A 8 3.690 3.459 1.554 1.00 0.19 H new ATOM 0 HB ILE A 8 4.393 6.285 2.429 1.00 0.22 H new ATOM 0 HG12 ILE A 8 2.859 6.808 0.405 1.00 0.23 H new ATOM 0 HG13 ILE A 8 2.301 5.155 0.565 1.00 0.23 H new ATOM 0 HG21 ILE A 8 5.146 6.625 0.089 1.00 0.28 H new ATOM 0 HG22 ILE A 8 6.120 5.393 0.928 1.00 0.28 H new ATOM 0 HG23 ILE A 8 4.870 4.897 -0.238 1.00 0.28 H new ATOM 0 HD11 ILE A 8 0.804 6.701 1.719 1.00 0.20 H new ATOM 0 HD12 ILE A 8 1.588 5.606 2.883 1.00 0.20 H new ATOM 0 HD13 ILE A 8 2.155 7.285 2.720 1.00 0.20 H new ATOM 145 N VAL A 9 6.030 2.729 2.124 1.00 0.19 N ATOM 146 CA VAL A 9 7.350 2.228 2.489 1.00 0.19 C ATOM 147 C VAL A 9 8.318 2.321 1.322 1.00 0.19 C ATOM 148 O VAL A 9 8.236 1.515 0.392 1.00 0.22 O ATOM 149 CB VAL A 9 7.288 0.747 2.920 1.00 0.20 C ATOM 150 CG1 VAL A 9 8.619 0.291 3.502 1.00 0.23 C ATOM 151 CG2 VAL A 9 6.155 0.523 3.907 1.00 0.21 C ATOM 0 H VAL A 9 5.573 2.202 1.380 1.00 0.19 H new ATOM 0 HA VAL A 9 7.695 2.849 3.316 1.00 0.19 H new ATOM 0 HB VAL A 9 7.090 0.144 2.034 1.00 0.20 H new ATOM 0 HG11 VAL A 9 8.547 -0.756 3.797 1.00 0.23 H new ATOM 0 HG12 VAL A 9 9.402 0.404 2.752 1.00 0.23 H new ATOM 0 HG13 VAL A 9 8.862 0.898 4.374 1.00 0.23 H new ATOM 0 HG21 VAL A 9 6.128 -0.527 4.198 1.00 0.21 H new ATOM 0 HG22 VAL A 9 6.315 1.141 4.791 1.00 0.21 H new ATOM 0 HG23 VAL A 9 5.208 0.794 3.441 1.00 0.21 H new ATOM 161 N ASP A 10 9.250 3.271 1.400 1.00 0.21 N ATOM 162 CA ASP A 10 10.284 3.434 0.377 1.00 0.30 C ATOM 163 C ASP A 10 11.167 4.626 0.725 1.00 0.42 C ATOM 164 O ASP A 10 10.681 5.693 1.064 1.00 0.83 O ATOM 165 CB ASP A 10 9.691 3.577 -1.042 1.00 0.45 C ATOM 166 CG ASP A 10 8.999 4.903 -1.318 1.00 1.13 C ATOM 167 OD1 ASP A 10 8.342 5.425 -0.385 1.00 1.84 O ATOM 168 OD2 ASP A 10 9.110 5.429 -2.442 1.00 1.63 O ATOM 0 H ASP A 10 9.310 3.943 2.165 1.00 0.21 H new ATOM 0 HA ASP A 10 10.890 2.528 0.367 1.00 0.30 H new ATOM 0 HB2 ASP A 10 10.492 3.444 -1.769 1.00 0.45 H new ATOM 0 HB3 ASP A 10 8.976 2.770 -1.204 1.00 0.45 H new ATOM 173 N ASP A 11 12.470 4.434 0.676 1.00 0.29 N ATOM 174 CA ASP A 11 13.404 5.460 1.118 1.00 0.36 C ATOM 175 C ASP A 11 13.402 6.653 0.170 1.00 0.38 C ATOM 176 O ASP A 11 14.026 6.625 -0.891 1.00 0.73 O ATOM 177 CB ASP A 11 14.810 4.875 1.242 1.00 0.48 C ATOM 178 CG ASP A 11 15.823 5.884 1.740 1.00 0.63 C ATOM 179 OD1 ASP A 11 15.806 6.211 2.943 1.00 0.77 O ATOM 180 OD2 ASP A 11 16.642 6.356 0.926 1.00 0.74 O ATOM 0 H ASP A 11 12.910 3.579 0.335 1.00 0.29 H new ATOM 0 HA ASP A 11 13.082 5.813 2.098 1.00 0.36 H new ATOM 0 HB2 ASP A 11 14.786 4.024 1.923 1.00 0.48 H new ATOM 0 HB3 ASP A 11 15.128 4.497 0.271 1.00 0.48 H new ATOM 185 N GLN A 12 12.664 7.683 0.556 1.00 0.56 N ATOM 186 CA GLN A 12 12.516 8.884 -0.249 1.00 0.60 C ATOM 187 C GLN A 12 12.742 10.112 0.612 1.00 0.54 C ATOM 188 O GLN A 12 12.352 10.134 1.781 1.00 0.66 O ATOM 189 CB GLN A 12 11.120 8.941 -0.865 1.00 0.83 C ATOM 190 CG GLN A 12 10.795 7.743 -1.734 1.00 1.01 C ATOM 191 CD GLN A 12 11.404 7.814 -3.119 1.00 1.87 C ATOM 192 OE1 GLN A 12 12.430 8.461 -3.341 1.00 2.56 O ATOM 193 NE2 GLN A 12 10.786 7.120 -4.052 1.00 2.51 N ATOM 0 H GLN A 12 12.151 7.709 1.437 1.00 0.56 H new ATOM 0 HA GLN A 12 13.255 8.861 -1.049 1.00 0.60 H new ATOM 0 HB2 GLN A 12 10.381 9.012 -0.066 1.00 0.83 H new ATOM 0 HB3 GLN A 12 11.032 9.848 -1.463 1.00 0.83 H new ATOM 0 HG2 GLN A 12 11.147 6.839 -1.238 1.00 1.01 H new ATOM 0 HG3 GLN A 12 9.713 7.655 -1.827 1.00 1.01 H new ATOM 0 HE21 GLN A 12 9.939 6.599 -3.823 1.00 2.51 H new ATOM 0 HE22 GLN A 12 11.154 7.103 -5.003 1.00 2.51 H new ATOM 202 N TYR A 13 13.375 11.122 0.039 1.00 0.55 N ATOM 203 CA TYR A 13 13.643 12.361 0.746 1.00 0.60 C ATOM 204 C TYR A 13 12.348 12.987 1.266 1.00 0.51 C ATOM 205 O TYR A 13 12.261 13.358 2.436 1.00 0.61 O ATOM 206 CB TYR A 13 14.382 13.324 -0.188 1.00 0.75 C ATOM 207 CG TYR A 13 14.451 14.753 0.310 1.00 1.43 C ATOM 208 CD1 TYR A 13 15.072 15.064 1.514 1.00 1.81 C ATOM 209 CD2 TYR A 13 13.899 15.792 -0.429 1.00 2.25 C ATOM 210 CE1 TYR A 13 15.138 16.369 1.965 1.00 2.61 C ATOM 211 CE2 TYR A 13 13.963 17.098 0.018 1.00 3.15 C ATOM 212 CZ TYR A 13 14.582 17.380 1.214 1.00 3.23 C ATOM 213 OH TYR A 13 14.645 18.680 1.661 1.00 4.16 O ATOM 0 H TYR A 13 13.715 11.106 -0.923 1.00 0.55 H new ATOM 0 HA TYR A 13 14.271 12.150 1.612 1.00 0.60 H new ATOM 0 HB2 TYR A 13 15.397 12.956 -0.340 1.00 0.75 H new ATOM 0 HB3 TYR A 13 13.891 13.315 -1.161 1.00 0.75 H new ATOM 0 HD1 TYR A 13 15.510 14.274 2.106 1.00 1.81 H new ATOM 0 HD2 TYR A 13 13.412 15.575 -1.368 1.00 2.25 H new ATOM 0 HE1 TYR A 13 15.624 16.595 2.903 1.00 2.61 H new ATOM 0 HE2 TYR A 13 13.529 17.894 -0.569 1.00 3.15 H new ATOM 0 HH TYR A 13 14.206 19.270 1.013 1.00 4.16 H new ATOM 223 N GLY A 14 11.330 13.069 0.418 1.00 0.43 N ATOM 224 CA GLY A 14 10.092 13.685 0.848 1.00 0.39 C ATOM 225 C GLY A 14 8.848 13.137 0.174 1.00 0.37 C ATOM 226 O GLY A 14 7.756 13.629 0.426 1.00 0.45 O ATOM 0 H GLY A 14 11.338 12.726 -0.543 1.00 0.43 H new ATOM 0 HA2 GLY A 14 9.992 13.556 1.926 1.00 0.39 H new ATOM 0 HA3 GLY A 14 10.150 14.757 0.659 1.00 0.39 H new ATOM 230 N ILE A 15 8.979 12.096 -0.644 1.00 0.37 N ATOM 231 CA ILE A 15 7.822 11.572 -1.374 1.00 0.38 C ATOM 232 C ILE A 15 6.851 10.959 -0.381 1.00 0.30 C ATOM 233 O ILE A 15 5.636 11.182 -0.432 1.00 0.31 O ATOM 234 CB ILE A 15 8.224 10.505 -2.420 1.00 0.50 C ATOM 235 CG1 ILE A 15 9.213 11.079 -3.442 1.00 0.63 C ATOM 236 CG2 ILE A 15 6.988 9.963 -3.125 1.00 0.56 C ATOM 237 CD1 ILE A 15 8.662 12.232 -4.256 1.00 0.95 C ATOM 0 H ILE A 15 9.856 11.605 -0.818 1.00 0.37 H new ATOM 0 HA ILE A 15 7.360 12.401 -1.911 1.00 0.38 H new ATOM 0 HB ILE A 15 8.717 9.687 -1.896 1.00 0.50 H new ATOM 0 HG12 ILE A 15 10.108 11.414 -2.917 1.00 0.63 H new ATOM 0 HG13 ILE A 15 9.520 10.283 -4.121 1.00 0.63 H new ATOM 0 HG21 ILE A 15 7.287 9.213 -3.858 1.00 0.56 H new ATOM 0 HG22 ILE A 15 6.321 9.509 -2.392 1.00 0.56 H new ATOM 0 HG23 ILE A 15 6.470 10.778 -3.630 1.00 0.56 H new ATOM 0 HD11 ILE A 15 9.423 12.580 -4.955 1.00 0.95 H new ATOM 0 HD12 ILE A 15 7.785 11.899 -4.811 1.00 0.95 H new ATOM 0 HD13 ILE A 15 8.382 13.047 -3.589 1.00 0.95 H new ATOM 249 N ARG A 16 7.426 10.232 0.563 1.00 0.30 N ATOM 250 CA ARG A 16 6.655 9.573 1.610 1.00 0.35 C ATOM 251 C ARG A 16 5.792 10.581 2.367 1.00 0.33 C ATOM 252 O ARG A 16 4.643 10.305 2.699 1.00 0.43 O ATOM 253 CB ARG A 16 7.583 8.861 2.588 1.00 0.49 C ATOM 254 CG ARG A 16 8.194 7.585 2.041 1.00 0.58 C ATOM 255 CD ARG A 16 9.182 6.980 3.026 1.00 0.82 C ATOM 256 NE ARG A 16 10.116 7.985 3.542 1.00 1.64 N ATOM 257 CZ ARG A 16 11.310 7.709 4.059 1.00 2.17 C ATOM 258 NH1 ARG A 16 11.758 6.461 4.089 1.00 2.49 N ATOM 259 NH2 ARG A 16 12.063 8.693 4.530 1.00 2.91 N ATOM 0 H ARG A 16 8.433 10.081 0.627 1.00 0.30 H new ATOM 0 HA ARG A 16 6.004 8.840 1.134 1.00 0.35 H new ATOM 0 HB2 ARG A 16 8.385 9.542 2.874 1.00 0.49 H new ATOM 0 HB3 ARG A 16 7.026 8.625 3.495 1.00 0.49 H new ATOM 0 HG2 ARG A 16 7.405 6.865 1.825 1.00 0.58 H new ATOM 0 HG3 ARG A 16 8.699 7.796 1.099 1.00 0.58 H new ATOM 0 HD2 ARG A 16 8.638 6.528 3.856 1.00 0.82 H new ATOM 0 HD3 ARG A 16 9.740 6.181 2.538 1.00 0.82 H new ATOM 0 HE ARG A 16 9.831 8.963 3.502 1.00 1.64 H new ATOM 0 HH11 ARG A 16 11.186 5.705 3.714 1.00 2.49 H new ATOM 0 HH12 ARG A 16 12.675 6.258 4.487 1.00 2.49 H new ATOM 0 HH21 ARG A 16 11.726 9.655 4.495 1.00 2.91 H new ATOM 0 HH22 ARG A 16 12.980 8.488 4.928 1.00 2.91 H new ATOM 273 N ILE A 17 6.346 11.766 2.607 1.00 0.27 N ATOM 274 CA ILE A 17 5.675 12.780 3.408 1.00 0.29 C ATOM 275 C ILE A 17 4.766 13.629 2.516 1.00 0.32 C ATOM 276 O ILE A 17 3.774 14.197 2.978 1.00 0.34 O ATOM 277 CB ILE A 17 6.717 13.647 4.165 1.00 0.32 C ATOM 278 CG1 ILE A 17 6.113 14.318 5.417 1.00 0.40 C ATOM 279 CG2 ILE A 17 7.331 14.687 3.239 1.00 0.39 C ATOM 280 CD1 ILE A 17 5.265 15.546 5.142 1.00 0.68 C ATOM 0 H ILE A 17 7.262 12.046 2.256 1.00 0.27 H new ATOM 0 HA ILE A 17 5.050 12.296 4.158 1.00 0.29 H new ATOM 0 HB ILE A 17 7.506 12.977 4.506 1.00 0.32 H new ATOM 0 HG12 ILE A 17 5.503 13.585 5.945 1.00 0.40 H new ATOM 0 HG13 ILE A 17 6.925 14.599 6.087 1.00 0.40 H new ATOM 0 HG21 ILE A 17 8.058 15.282 3.792 1.00 0.39 H new ATOM 0 HG22 ILE A 17 7.828 14.186 2.408 1.00 0.39 H new ATOM 0 HG23 ILE A 17 6.547 15.338 2.853 1.00 0.39 H new ATOM 0 HD11 ILE A 17 4.886 15.945 6.083 1.00 0.68 H new ATOM 0 HD12 ILE A 17 5.871 16.303 4.645 1.00 0.68 H new ATOM 0 HD13 ILE A 17 4.427 15.273 4.500 1.00 0.68 H new ATOM 292 N LEU A 18 5.089 13.688 1.226 1.00 0.34 N ATOM 293 CA LEU A 18 4.185 14.306 0.255 1.00 0.43 C ATOM 294 C LEU A 18 2.825 13.645 0.353 1.00 0.33 C ATOM 295 O LEU A 18 1.795 14.317 0.398 1.00 0.32 O ATOM 296 CB LEU A 18 4.687 14.156 -1.185 1.00 0.63 C ATOM 297 CG LEU A 18 6.005 14.845 -1.518 1.00 0.76 C ATOM 298 CD1 LEU A 18 6.314 14.693 -2.998 1.00 1.49 C ATOM 299 CD2 LEU A 18 5.963 16.311 -1.123 1.00 1.34 C ATOM 0 H LEU A 18 5.956 13.322 0.832 1.00 0.34 H new ATOM 0 HA LEU A 18 4.132 15.369 0.490 1.00 0.43 H new ATOM 0 HB2 LEU A 18 4.793 13.093 -1.401 1.00 0.63 H new ATOM 0 HB3 LEU A 18 3.920 14.543 -1.856 1.00 0.63 H new ATOM 0 HG LEU A 18 6.801 14.368 -0.946 1.00 0.76 H new ATOM 0 HD11 LEU A 18 7.258 15.189 -3.225 1.00 1.49 H new ATOM 0 HD12 LEU A 18 6.391 13.635 -3.247 1.00 1.49 H new ATOM 0 HD13 LEU A 18 5.515 15.146 -3.585 1.00 1.49 H new ATOM 0 HD21 LEU A 18 6.914 16.782 -1.370 1.00 1.34 H new ATOM 0 HD22 LEU A 18 5.159 16.811 -1.664 1.00 1.34 H new ATOM 0 HD23 LEU A 18 5.785 16.394 -0.051 1.00 1.34 H new ATOM 311 N LEU A 19 2.842 12.319 0.443 1.00 0.31 N ATOM 312 CA LEU A 19 1.613 11.550 0.563 1.00 0.29 C ATOM 313 C LEU A 19 0.903 11.875 1.867 1.00 0.20 C ATOM 314 O LEU A 19 -0.320 11.759 1.962 1.00 0.17 O ATOM 315 CB LEU A 19 1.887 10.046 0.484 1.00 0.37 C ATOM 316 CG LEU A 19 1.884 9.437 -0.922 1.00 0.55 C ATOM 317 CD1 LEU A 19 0.555 9.704 -1.615 1.00 1.32 C ATOM 318 CD2 LEU A 19 3.041 9.969 -1.752 1.00 1.07 C ATOM 0 H LEU A 19 3.693 11.757 0.435 1.00 0.31 H new ATOM 0 HA LEU A 19 0.970 11.827 -0.273 1.00 0.29 H new ATOM 0 HB2 LEU A 19 2.856 9.849 0.942 1.00 0.37 H new ATOM 0 HB3 LEU A 19 1.139 9.528 1.085 1.00 0.37 H new ATOM 0 HG LEU A 19 2.012 8.359 -0.824 1.00 0.55 H new ATOM 0 HD11 LEU A 19 0.570 9.265 -2.612 1.00 1.32 H new ATOM 0 HD12 LEU A 19 -0.254 9.259 -1.035 1.00 1.32 H new ATOM 0 HD13 LEU A 19 0.396 10.779 -1.695 1.00 1.32 H new ATOM 0 HD21 LEU A 19 3.014 9.520 -2.745 1.00 1.07 H new ATOM 0 HD22 LEU A 19 2.957 11.052 -1.842 1.00 1.07 H new ATOM 0 HD23 LEU A 19 3.984 9.717 -1.266 1.00 1.07 H new ATOM 330 N ASN A 20 1.673 12.292 2.869 1.00 0.20 N ATOM 331 CA ASN A 20 1.105 12.676 4.153 1.00 0.18 C ATOM 332 C ASN A 20 0.254 13.918 3.987 1.00 0.19 C ATOM 333 O ASN A 20 -0.903 13.952 4.388 1.00 0.20 O ATOM 334 CB ASN A 20 2.188 12.949 5.208 1.00 0.22 C ATOM 335 CG ASN A 20 2.776 11.692 5.806 1.00 0.21 C ATOM 336 OD1 ASN A 20 2.914 11.587 7.022 1.00 0.28 O ATOM 337 ND2 ASN A 20 3.178 10.750 4.969 1.00 0.18 N ATOM 0 H ASN A 20 2.688 12.372 2.814 1.00 0.20 H new ATOM 0 HA ASN A 20 0.498 11.840 4.500 1.00 0.18 H new ATOM 0 HB2 ASN A 20 2.987 13.534 4.754 1.00 0.22 H new ATOM 0 HB3 ASN A 20 1.762 13.557 6.006 1.00 0.22 H new ATOM 0 HD21 ASN A 20 3.619 9.903 5.328 1.00 0.18 H new ATOM 0 HD22 ASN A 20 3.047 10.871 3.965 1.00 0.18 H new ATOM 344 N GLU A 21 0.825 14.941 3.381 1.00 0.25 N ATOM 345 CA GLU A 21 0.095 16.168 3.153 1.00 0.30 C ATOM 346 C GLU A 21 -1.140 15.939 2.295 1.00 0.28 C ATOM 347 O GLU A 21 -2.185 16.542 2.536 1.00 0.34 O ATOM 348 CB GLU A 21 1.007 17.204 2.532 1.00 0.38 C ATOM 349 CG GLU A 21 1.932 17.804 3.559 1.00 0.58 C ATOM 350 CD GLU A 21 1.182 18.666 4.551 1.00 1.35 C ATOM 351 OE1 GLU A 21 0.889 19.833 4.228 1.00 2.02 O ATOM 352 OE2 GLU A 21 0.860 18.173 5.652 1.00 1.93 O ATOM 0 H GLU A 21 1.786 14.945 3.040 1.00 0.25 H new ATOM 0 HA GLU A 21 -0.254 16.539 4.117 1.00 0.30 H new ATOM 0 HB2 GLU A 21 1.593 16.745 1.735 1.00 0.38 H new ATOM 0 HB3 GLU A 21 0.408 17.991 2.074 1.00 0.38 H new ATOM 0 HG2 GLU A 21 2.453 17.007 4.090 1.00 0.58 H new ATOM 0 HG3 GLU A 21 2.693 18.403 3.058 1.00 0.58 H new ATOM 359 N VAL A 22 -1.028 15.050 1.313 1.00 0.28 N ATOM 360 CA VAL A 22 -2.162 14.725 0.458 1.00 0.32 C ATOM 361 C VAL A 22 -3.279 14.069 1.259 1.00 0.31 C ATOM 362 O VAL A 22 -4.406 14.562 1.295 1.00 0.47 O ATOM 363 CB VAL A 22 -1.786 13.766 -0.695 1.00 0.43 C ATOM 364 CG1 VAL A 22 -2.937 13.643 -1.681 1.00 0.78 C ATOM 365 CG2 VAL A 22 -0.526 14.219 -1.410 1.00 0.63 C ATOM 0 H VAL A 22 -0.170 14.546 1.091 1.00 0.28 H new ATOM 0 HA VAL A 22 -2.492 15.675 0.037 1.00 0.32 H new ATOM 0 HB VAL A 22 -1.587 12.787 -0.258 1.00 0.43 H new ATOM 0 HG11 VAL A 22 -2.655 12.964 -2.486 1.00 0.78 H new ATOM 0 HG12 VAL A 22 -3.816 13.252 -1.168 1.00 0.78 H new ATOM 0 HG13 VAL A 22 -3.166 14.624 -2.097 1.00 0.78 H new ATOM 0 HG21 VAL A 22 -0.293 13.521 -2.214 1.00 0.63 H new ATOM 0 HG22 VAL A 22 -0.682 15.214 -1.827 1.00 0.63 H new ATOM 0 HG23 VAL A 22 0.303 14.248 -0.703 1.00 0.63 H new ATOM 375 N PHE A 23 -2.961 12.957 1.915 1.00 0.22 N ATOM 376 CA PHE A 23 -3.995 12.121 2.501 1.00 0.20 C ATOM 377 C PHE A 23 -3.967 12.072 4.026 1.00 0.18 C ATOM 378 O PHE A 23 -5.020 12.080 4.636 1.00 0.20 O ATOM 379 CB PHE A 23 -3.904 10.698 1.958 1.00 0.24 C ATOM 380 CG PHE A 23 -4.194 10.580 0.489 1.00 0.27 C ATOM 381 CD1 PHE A 23 -5.433 10.939 -0.013 1.00 0.33 C ATOM 382 CD2 PHE A 23 -3.234 10.098 -0.385 1.00 0.42 C ATOM 383 CE1 PHE A 23 -5.711 10.822 -1.361 1.00 0.38 C ATOM 384 CE2 PHE A 23 -3.504 9.979 -1.733 1.00 0.46 C ATOM 385 CZ PHE A 23 -4.743 10.342 -2.222 1.00 0.38 C ATOM 0 H PHE A 23 -2.008 12.620 2.051 1.00 0.22 H new ATOM 0 HA PHE A 23 -4.938 12.586 2.214 1.00 0.20 H new ATOM 0 HB2 PHE A 23 -2.904 10.310 2.152 1.00 0.24 H new ATOM 0 HB3 PHE A 23 -4.603 10.066 2.507 1.00 0.24 H new ATOM 0 HD1 PHE A 23 -6.192 11.315 0.657 1.00 0.33 H new ATOM 0 HD2 PHE A 23 -2.263 9.812 -0.007 1.00 0.42 H new ATOM 0 HE1 PHE A 23 -6.682 11.105 -1.741 1.00 0.38 H new ATOM 0 HE2 PHE A 23 -2.747 9.602 -2.405 1.00 0.46 H new ATOM 0 HZ PHE A 23 -4.955 10.251 -3.277 1.00 0.38 H new ATOM 395 N ASN A 24 -2.790 12.051 4.636 1.00 0.17 N ATOM 396 CA ASN A 24 -2.647 11.707 6.063 1.00 0.20 C ATOM 397 C ASN A 24 -3.625 12.464 6.962 1.00 0.23 C ATOM 398 O ASN A 24 -4.109 11.931 7.967 1.00 0.28 O ATOM 399 CB ASN A 24 -1.233 12.014 6.525 1.00 0.20 C ATOM 400 CG ASN A 24 -0.895 11.358 7.847 1.00 0.18 C ATOM 401 OD1 ASN A 24 -1.210 11.871 8.919 1.00 0.19 O ATOM 402 ND2 ASN A 24 -0.213 10.233 7.777 1.00 0.19 N ATOM 0 H ASN A 24 -1.909 12.268 4.170 1.00 0.17 H new ATOM 0 HA ASN A 24 -2.869 10.643 6.149 1.00 0.20 H new ATOM 0 HB2 ASN A 24 -0.526 11.678 5.766 1.00 0.20 H new ATOM 0 HB3 ASN A 24 -1.112 13.093 6.618 1.00 0.20 H new ATOM 0 HD21 ASN A 24 0.073 9.756 8.632 1.00 0.19 H new ATOM 0 HD22 ASN A 24 0.029 9.839 6.868 1.00 0.19 H new ATOM 409 N LYS A 25 -3.900 13.699 6.614 1.00 0.25 N ATOM 410 CA LYS A 25 -4.818 14.504 7.390 1.00 0.32 C ATOM 411 C LYS A 25 -6.279 14.269 7.012 1.00 0.30 C ATOM 412 O LYS A 25 -7.126 14.096 7.884 1.00 0.38 O ATOM 413 CB LYS A 25 -4.451 15.986 7.258 1.00 0.45 C ATOM 414 CG LYS A 25 -3.700 16.310 5.971 1.00 0.51 C ATOM 415 CD LYS A 25 -3.448 17.799 5.813 1.00 1.10 C ATOM 416 CE LYS A 25 -2.672 18.379 6.990 1.00 1.44 C ATOM 417 NZ LYS A 25 -1.326 17.762 7.151 1.00 1.75 N ATOM 0 H LYS A 25 -3.503 14.169 5.800 1.00 0.25 H new ATOM 0 HA LYS A 25 -4.719 14.197 8.431 1.00 0.32 H new ATOM 0 HB2 LYS A 25 -5.362 16.584 7.299 1.00 0.45 H new ATOM 0 HB3 LYS A 25 -3.839 16.279 8.111 1.00 0.45 H new ATOM 0 HG2 LYS A 25 -2.748 15.779 5.965 1.00 0.51 H new ATOM 0 HG3 LYS A 25 -4.273 15.948 5.117 1.00 0.51 H new ATOM 0 HD2 LYS A 25 -2.893 17.976 4.891 1.00 1.10 H new ATOM 0 HD3 LYS A 25 -4.401 18.319 5.717 1.00 1.10 H new ATOM 0 HE2 LYS A 25 -2.560 19.454 6.852 1.00 1.44 H new ATOM 0 HE3 LYS A 25 -3.246 18.233 7.905 1.00 1.44 H new ATOM 0 HZ1 LYS A 25 -0.822 18.227 7.933 1.00 1.75 H new ATOM 0 HZ2 LYS A 25 -1.431 16.749 7.361 1.00 1.75 H new ATOM 0 HZ3 LYS A 25 -0.783 17.878 6.271 1.00 1.75 H new ATOM 431 N GLU A 26 -6.579 14.246 5.723 1.00 0.29 N ATOM 432 CA GLU A 26 -7.972 14.235 5.283 1.00 0.35 C ATOM 433 C GLU A 26 -8.345 12.960 4.526 1.00 0.33 C ATOM 434 O GLU A 26 -9.428 12.409 4.720 1.00 0.45 O ATOM 435 CB GLU A 26 -8.235 15.457 4.406 1.00 0.43 C ATOM 436 CG GLU A 26 -7.277 15.572 3.228 1.00 0.42 C ATOM 437 CD GLU A 26 -7.483 16.834 2.421 1.00 0.54 C ATOM 438 OE1 GLU A 26 -8.285 16.814 1.461 1.00 0.75 O ATOM 439 OE2 GLU A 26 -6.830 17.850 2.736 1.00 0.61 O ATOM 0 H GLU A 26 -5.891 14.235 4.970 1.00 0.29 H new ATOM 0 HA GLU A 26 -8.596 14.265 6.176 1.00 0.35 H new ATOM 0 HB2 GLU A 26 -9.257 15.413 4.031 1.00 0.43 H new ATOM 0 HB3 GLU A 26 -8.158 16.357 5.017 1.00 0.43 H new ATOM 0 HG2 GLU A 26 -6.252 15.546 3.597 1.00 0.42 H new ATOM 0 HG3 GLU A 26 -7.404 14.707 2.578 1.00 0.42 H new ATOM 446 N GLY A 27 -7.447 12.496 3.672 1.00 0.25 N ATOM 447 CA GLY A 27 -7.739 11.358 2.828 1.00 0.26 C ATOM 448 C GLY A 27 -7.499 10.028 3.513 1.00 0.20 C ATOM 449 O GLY A 27 -8.371 9.165 3.506 1.00 0.22 O ATOM 0 H GLY A 27 -6.515 12.891 3.548 1.00 0.25 H new ATOM 0 HA2 GLY A 27 -8.779 11.411 2.506 1.00 0.26 H new ATOM 0 HA3 GLY A 27 -7.124 11.413 1.930 1.00 0.26 H new ATOM 453 N TYR A 28 -6.309 9.858 4.092 1.00 0.22 N ATOM 454 CA TYR A 28 -5.929 8.604 4.742 1.00 0.17 C ATOM 455 C TYR A 28 -5.000 8.868 5.932 1.00 0.31 C ATOM 456 O TYR A 28 -5.025 9.943 6.506 1.00 0.84 O ATOM 457 CB TYR A 28 -5.270 7.652 3.733 1.00 0.19 C ATOM 458 CG TYR A 28 -6.215 7.184 2.645 1.00 0.26 C ATOM 459 CD1 TYR A 28 -7.121 6.158 2.880 1.00 0.36 C ATOM 460 CD2 TYR A 28 -6.196 7.768 1.384 1.00 0.32 C ATOM 461 CE1 TYR A 28 -7.982 5.724 1.890 1.00 0.47 C ATOM 462 CE2 TYR A 28 -7.053 7.340 0.390 1.00 0.42 C ATOM 463 CZ TYR A 28 -7.954 6.329 0.652 1.00 0.50 C ATOM 464 OH TYR A 28 -8.795 5.890 -0.345 1.00 0.62 O ATOM 0 H TYR A 28 -5.588 10.579 4.123 1.00 0.22 H new ATOM 0 HA TYR A 28 -6.833 8.127 5.121 1.00 0.17 H new ATOM 0 HB2 TYR A 28 -4.418 8.154 3.274 1.00 0.19 H new ATOM 0 HB3 TYR A 28 -4.880 6.784 4.264 1.00 0.19 H new ATOM 0 HD1 TYR A 28 -7.153 5.691 3.853 1.00 0.36 H new ATOM 0 HD2 TYR A 28 -5.501 8.568 1.179 1.00 0.32 H new ATOM 0 HE1 TYR A 28 -8.672 4.916 2.085 1.00 0.47 H new ATOM 0 HE2 TYR A 28 -7.018 7.795 -0.589 1.00 0.42 H new ATOM 0 HH TYR A 28 -8.650 6.423 -1.154 1.00 0.62 H new ATOM 474 N GLN A 29 -4.223 7.865 6.324 1.00 0.20 N ATOM 475 CA GLN A 29 -3.252 7.986 7.420 1.00 0.15 C ATOM 476 C GLN A 29 -1.905 7.602 6.877 1.00 0.17 C ATOM 477 O GLN A 29 -1.194 6.770 7.434 1.00 0.34 O ATOM 478 CB GLN A 29 -3.625 7.053 8.572 1.00 0.19 C ATOM 479 CG GLN A 29 -2.808 7.200 9.851 1.00 0.28 C ATOM 480 CD GLN A 29 -2.455 8.618 10.167 1.00 0.74 C ATOM 481 OE1 GLN A 29 -3.235 9.360 10.763 1.00 1.50 O ATOM 482 NE2 GLN A 29 -1.247 8.973 9.823 1.00 0.53 N ATOM 0 H GLN A 29 -4.244 6.940 5.894 1.00 0.20 H new ATOM 0 HA GLN A 29 -3.243 9.007 7.801 1.00 0.15 H new ATOM 0 HB2 GLN A 29 -4.675 7.214 8.816 1.00 0.19 H new ATOM 0 HB3 GLN A 29 -3.533 6.024 8.223 1.00 0.19 H new ATOM 0 HG2 GLN A 29 -3.371 6.779 10.684 1.00 0.28 H new ATOM 0 HG3 GLN A 29 -1.892 6.617 9.758 1.00 0.28 H new ATOM 0 HE21 GLN A 29 -0.643 8.315 9.330 1.00 0.53 H new ATOM 0 HE22 GLN A 29 -0.907 9.908 10.048 1.00 0.53 H new ATOM 491 N THR A 30 -1.575 8.226 5.785 1.00 0.12 N ATOM 492 CA THR A 30 -0.448 7.834 4.992 1.00 0.13 C ATOM 493 C THR A 30 0.844 8.189 5.690 1.00 0.13 C ATOM 494 O THR A 30 1.157 9.351 5.829 1.00 0.17 O ATOM 495 CB THR A 30 -0.522 8.531 3.638 1.00 0.14 C ATOM 496 OG1 THR A 30 -0.684 9.940 3.830 1.00 0.18 O ATOM 497 CG2 THR A 30 -1.688 8.011 2.825 1.00 0.16 C ATOM 0 H THR A 30 -2.085 9.029 5.416 1.00 0.12 H new ATOM 0 HA THR A 30 -0.470 6.754 4.849 1.00 0.13 H new ATOM 0 HB THR A 30 0.404 8.327 3.100 1.00 0.14 H new ATOM 0 HG1 THR A 30 -0.841 10.372 2.965 1.00 0.18 H new ATOM 0 HG21 THR A 30 -1.719 8.524 1.864 1.00 0.16 H new ATOM 0 HG22 THR A 30 -1.568 6.940 2.661 1.00 0.16 H new ATOM 0 HG23 THR A 30 -2.618 8.194 3.364 1.00 0.16 H new ATOM 505 N PHE A 31 1.589 7.202 6.141 1.00 0.13 N ATOM 506 CA PHE A 31 2.809 7.491 6.875 1.00 0.14 C ATOM 507 C PHE A 31 4.022 7.063 6.051 1.00 0.13 C ATOM 508 O PHE A 31 3.875 6.459 4.989 1.00 0.14 O ATOM 509 CB PHE A 31 2.804 6.778 8.233 1.00 0.17 C ATOM 510 CG PHE A 31 3.346 7.621 9.353 1.00 0.24 C ATOM 511 CD1 PHE A 31 4.699 7.623 9.652 1.00 0.29 C ATOM 512 CD2 PHE A 31 2.496 8.415 10.109 1.00 0.37 C ATOM 513 CE1 PHE A 31 5.195 8.401 10.681 1.00 0.36 C ATOM 514 CE2 PHE A 31 2.987 9.194 11.139 1.00 0.45 C ATOM 515 CZ PHE A 31 4.338 9.187 11.426 1.00 0.42 C ATOM 0 H PHE A 31 1.380 6.211 6.018 1.00 0.13 H new ATOM 0 HA PHE A 31 2.865 8.564 7.056 1.00 0.14 H new ATOM 0 HB2 PHE A 31 1.784 6.479 8.474 1.00 0.17 H new ATOM 0 HB3 PHE A 31 3.394 5.865 8.157 1.00 0.17 H new ATOM 0 HD1 PHE A 31 5.374 7.009 9.074 1.00 0.29 H new ATOM 0 HD2 PHE A 31 1.438 8.424 9.890 1.00 0.37 H new ATOM 0 HE1 PHE A 31 6.252 8.394 10.902 1.00 0.36 H new ATOM 0 HE2 PHE A 31 2.315 9.808 11.720 1.00 0.45 H new ATOM 0 HZ PHE A 31 4.723 9.795 12.231 1.00 0.42 H new ATOM 525 N GLN A 32 5.210 7.379 6.547 1.00 0.14 N ATOM 526 CA GLN A 32 6.447 7.119 5.827 1.00 0.16 C ATOM 527 C GLN A 32 7.222 5.985 6.472 1.00 0.17 C ATOM 528 O GLN A 32 7.353 5.937 7.694 1.00 0.20 O ATOM 529 CB GLN A 32 7.314 8.372 5.857 1.00 0.21 C ATOM 530 CG GLN A 32 6.508 9.649 5.755 1.00 0.76 C ATOM 531 CD GLN A 32 6.616 10.517 6.987 1.00 0.33 C ATOM 532 OE1 GLN A 32 7.628 10.517 7.686 1.00 0.51 O ATOM 533 NE2 GLN A 32 5.559 11.256 7.261 1.00 0.52 N ATOM 0 H GLN A 32 5.343 7.821 7.457 1.00 0.14 H new ATOM 0 HA GLN A 32 6.197 6.843 4.803 1.00 0.16 H new ATOM 0 HB2 GLN A 32 7.892 8.386 6.781 1.00 0.21 H new ATOM 0 HB3 GLN A 32 8.029 8.333 5.035 1.00 0.21 H new ATOM 0 HG2 GLN A 32 6.845 10.216 4.887 1.00 0.76 H new ATOM 0 HG3 GLN A 32 5.461 9.398 5.585 1.00 0.76 H new ATOM 0 HE21 GLN A 32 4.742 11.223 6.652 1.00 0.52 H new ATOM 0 HE22 GLN A 32 5.559 11.861 8.082 1.00 0.52 H new ATOM 542 N ALA A 33 7.735 5.075 5.654 1.00 0.18 N ATOM 543 CA ALA A 33 8.530 3.974 6.161 1.00 0.19 C ATOM 544 C ALA A 33 9.863 3.840 5.437 1.00 0.18 C ATOM 545 O ALA A 33 9.940 3.941 4.206 1.00 0.20 O ATOM 546 CB ALA A 33 7.754 2.672 6.091 1.00 0.20 C ATOM 0 H ALA A 33 7.613 5.081 4.641 1.00 0.18 H new ATOM 0 HA ALA A 33 8.751 4.197 7.205 1.00 0.19 H new ATOM 0 HB1 ALA A 33 8.370 1.860 6.477 1.00 0.20 H new ATOM 0 HB2 ALA A 33 6.848 2.756 6.691 1.00 0.20 H new ATOM 0 HB3 ALA A 33 7.486 2.464 5.055 1.00 0.20 H new ATOM 552 N ALA A 34 10.911 3.639 6.237 1.00 0.18 N ATOM 553 CA ALA A 34 12.253 3.379 5.737 1.00 0.20 C ATOM 554 C ALA A 34 12.540 1.880 5.741 1.00 0.17 C ATOM 555 O ALA A 34 13.513 1.421 5.163 1.00 0.21 O ATOM 556 CB ALA A 34 13.272 4.113 6.590 1.00 0.27 C ATOM 0 H ALA A 34 10.848 3.653 7.255 1.00 0.18 H new ATOM 0 HA ALA A 34 12.324 3.741 4.711 1.00 0.20 H new ATOM 0 HB1 ALA A 34 14.274 3.914 6.211 1.00 0.27 H new ATOM 0 HB2 ALA A 34 13.075 5.184 6.551 1.00 0.27 H new ATOM 0 HB3 ALA A 34 13.199 3.768 7.621 1.00 0.27 H new ATOM 562 N ASN A 35 11.701 1.123 6.434 1.00 0.16 N ATOM 563 CA ASN A 35 11.761 -0.333 6.383 1.00 0.20 C ATOM 564 C ASN A 35 10.354 -0.865 6.516 1.00 0.21 C ATOM 565 O ASN A 35 9.463 -0.149 6.977 1.00 0.18 O ATOM 566 CB ASN A 35 12.589 -0.951 7.528 1.00 0.25 C ATOM 567 CG ASN A 35 13.656 -0.047 8.103 1.00 0.27 C ATOM 568 OD1 ASN A 35 14.783 -0.014 7.622 1.00 0.39 O ATOM 569 ND2 ASN A 35 13.307 0.660 9.169 1.00 0.22 N ATOM 0 H ASN A 35 10.969 1.493 7.040 1.00 0.16 H new ATOM 0 HA ASN A 35 12.236 -0.601 5.439 1.00 0.20 H new ATOM 0 HB2 ASN A 35 11.911 -1.244 8.330 1.00 0.25 H new ATOM 0 HB3 ASN A 35 13.063 -1.862 7.163 1.00 0.25 H new ATOM 0 HD21 ASN A 35 13.990 1.265 9.626 1.00 0.22 H new ATOM 0 HD22 ASN A 35 12.356 0.599 9.532 1.00 0.22 H new ATOM 576 N GLY A 36 10.157 -2.118 6.145 1.00 0.29 N ATOM 577 CA GLY A 36 8.893 -2.766 6.420 1.00 0.33 C ATOM 578 C GLY A 36 8.660 -2.893 7.911 1.00 0.30 C ATOM 579 O GLY A 36 7.528 -2.942 8.374 1.00 0.30 O ATOM 0 H GLY A 36 10.844 -2.696 5.661 1.00 0.29 H new ATOM 0 HA2 GLY A 36 8.082 -2.194 5.969 1.00 0.33 H new ATOM 0 HA3 GLY A 36 8.880 -3.755 5.961 1.00 0.33 H new ATOM 583 N LEU A 37 9.753 -2.921 8.663 1.00 0.31 N ATOM 584 CA LEU A 37 9.690 -2.991 10.110 1.00 0.31 C ATOM 585 C LEU A 37 9.270 -1.647 10.684 1.00 0.24 C ATOM 586 O LEU A 37 8.533 -1.589 11.661 1.00 0.25 O ATOM 587 CB LEU A 37 11.047 -3.407 10.667 1.00 0.40 C ATOM 588 CG LEU A 37 11.498 -4.825 10.306 1.00 0.76 C ATOM 589 CD1 LEU A 37 12.754 -5.195 11.079 1.00 1.52 C ATOM 590 CD2 LEU A 37 10.388 -5.830 10.573 1.00 1.36 C ATOM 0 H LEU A 37 10.701 -2.896 8.286 1.00 0.31 H new ATOM 0 HA LEU A 37 8.948 -3.736 10.398 1.00 0.31 H new ATOM 0 HB2 LEU A 37 11.799 -2.703 10.310 1.00 0.40 H new ATOM 0 HB3 LEU A 37 11.018 -3.319 11.753 1.00 0.40 H new ATOM 0 HG LEU A 37 11.728 -4.850 9.241 1.00 0.76 H new ATOM 0 HD11 LEU A 37 13.062 -6.206 10.811 1.00 1.52 H new ATOM 0 HD12 LEU A 37 13.552 -4.495 10.832 1.00 1.52 H new ATOM 0 HD13 LEU A 37 12.550 -5.150 12.149 1.00 1.52 H new ATOM 0 HD21 LEU A 37 10.732 -6.830 10.309 1.00 1.36 H new ATOM 0 HD22 LEU A 37 10.121 -5.805 11.629 1.00 1.36 H new ATOM 0 HD23 LEU A 37 9.515 -5.576 9.972 1.00 1.36 H new ATOM 602 N GLN A 38 9.727 -0.563 10.060 1.00 0.20 N ATOM 603 CA GLN A 38 9.259 0.765 10.426 1.00 0.16 C ATOM 604 C GLN A 38 7.774 0.847 10.097 1.00 0.16 C ATOM 605 O GLN A 38 6.982 1.444 10.825 1.00 0.17 O ATOM 606 CB GLN A 38 10.050 1.827 9.651 1.00 0.15 C ATOM 607 CG GLN A 38 10.051 3.219 10.280 1.00 0.19 C ATOM 608 CD GLN A 38 8.709 3.933 10.228 1.00 0.23 C ATOM 609 OE1 GLN A 38 8.392 4.744 11.094 1.00 0.50 O ATOM 610 NE2 GLN A 38 7.921 3.648 9.206 1.00 0.17 N ATOM 0 H GLN A 38 10.414 -0.581 9.306 1.00 0.20 H new ATOM 0 HA GLN A 38 9.410 0.947 11.490 1.00 0.16 H new ATOM 0 HB2 GLN A 38 11.082 1.489 9.552 1.00 0.15 H new ATOM 0 HB3 GLN A 38 9.640 1.900 8.644 1.00 0.15 H new ATOM 0 HG2 GLN A 38 10.363 3.134 11.321 1.00 0.19 H new ATOM 0 HG3 GLN A 38 10.795 3.833 9.773 1.00 0.19 H new ATOM 0 HE21 GLN A 38 8.219 2.968 8.506 1.00 0.17 H new ATOM 0 HE22 GLN A 38 7.015 4.108 9.117 1.00 0.17 H new ATOM 619 N ALA A 39 7.402 0.220 8.991 1.00 0.18 N ATOM 620 CA ALA A 39 6.008 0.139 8.600 1.00 0.22 C ATOM 621 C ALA A 39 5.215 -0.609 9.661 1.00 0.27 C ATOM 622 O ALA A 39 4.109 -0.213 10.014 1.00 0.32 O ATOM 623 CB ALA A 39 5.884 -0.543 7.249 1.00 0.25 C ATOM 0 H ALA A 39 8.049 -0.240 8.350 1.00 0.18 H new ATOM 0 HA ALA A 39 5.600 1.146 8.512 1.00 0.22 H new ATOM 0 HB1 ALA A 39 4.833 -0.599 6.965 1.00 0.25 H new ATOM 0 HB2 ALA A 39 6.433 0.029 6.501 1.00 0.25 H new ATOM 0 HB3 ALA A 39 6.297 -1.550 7.310 1.00 0.25 H new ATOM 629 N LEU A 40 5.818 -1.669 10.191 1.00 0.29 N ATOM 630 CA LEU A 40 5.216 -2.464 11.252 1.00 0.33 C ATOM 631 C LEU A 40 5.105 -1.616 12.511 1.00 0.29 C ATOM 632 O LEU A 40 4.138 -1.722 13.265 1.00 0.30 O ATOM 633 CB LEU A 40 6.071 -3.714 11.509 1.00 0.39 C ATOM 634 CG LEU A 40 5.374 -4.905 12.189 1.00 0.47 C ATOM 635 CD1 LEU A 40 5.102 -4.633 13.661 1.00 1.47 C ATOM 636 CD2 LEU A 40 4.080 -5.248 11.466 1.00 1.42 C ATOM 0 H LEU A 40 6.737 -1.999 9.896 1.00 0.29 H new ATOM 0 HA LEU A 40 4.218 -2.786 10.956 1.00 0.33 H new ATOM 0 HB2 LEU A 40 6.470 -4.055 10.554 1.00 0.39 H new ATOM 0 HB3 LEU A 40 6.922 -3.422 12.124 1.00 0.39 H new ATOM 0 HG LEU A 40 6.050 -5.758 12.130 1.00 0.47 H new ATOM 0 HD11 LEU A 40 4.609 -5.497 14.106 1.00 1.47 H new ATOM 0 HD12 LEU A 40 6.044 -4.447 14.177 1.00 1.47 H new ATOM 0 HD13 LEU A 40 4.458 -3.759 13.757 1.00 1.47 H new ATOM 0 HD21 LEU A 40 3.600 -6.093 11.960 1.00 1.42 H new ATOM 0 HD22 LEU A 40 3.412 -4.387 11.488 1.00 1.42 H new ATOM 0 HD23 LEU A 40 4.300 -5.510 10.431 1.00 1.42 H new ATOM 648 N ASP A 41 6.098 -0.761 12.716 1.00 0.27 N ATOM 649 CA ASP A 41 6.086 0.179 13.825 1.00 0.27 C ATOM 650 C ASP A 41 4.838 1.035 13.756 1.00 0.26 C ATOM 651 O ASP A 41 4.163 1.251 14.753 1.00 0.32 O ATOM 652 CB ASP A 41 7.311 1.083 13.781 1.00 0.27 C ATOM 653 CG ASP A 41 7.983 1.216 15.131 1.00 0.55 C ATOM 654 OD1 ASP A 41 7.434 1.913 16.010 1.00 0.86 O ATOM 655 OD2 ASP A 41 9.067 0.623 15.320 1.00 1.31 O ATOM 0 H ASP A 41 6.926 -0.700 12.124 1.00 0.27 H new ATOM 0 HA ASP A 41 6.099 -0.390 14.755 1.00 0.27 H new ATOM 0 HB2 ASP A 41 8.026 0.686 13.061 1.00 0.27 H new ATOM 0 HB3 ASP A 41 7.017 2.071 13.426 1.00 0.27 H new ATOM 660 N ILE A 42 4.519 1.514 12.566 1.00 0.22 N ATOM 661 CA ILE A 42 3.314 2.299 12.392 1.00 0.23 C ATOM 662 C ILE A 42 2.082 1.400 12.376 1.00 0.24 C ATOM 663 O ILE A 42 1.001 1.821 12.758 1.00 0.26 O ATOM 664 CB ILE A 42 3.338 3.152 11.116 1.00 0.22 C ATOM 665 CG1 ILE A 42 4.649 3.955 11.026 1.00 0.20 C ATOM 666 CG2 ILE A 42 2.120 4.075 11.104 1.00 0.28 C ATOM 667 CD1 ILE A 42 4.852 4.927 12.169 1.00 0.22 C ATOM 0 H ILE A 42 5.070 1.375 11.719 1.00 0.22 H new ATOM 0 HA ILE A 42 3.267 2.978 13.243 1.00 0.23 H new ATOM 0 HB ILE A 42 3.294 2.501 10.243 1.00 0.22 H new ATOM 0 HG12 ILE A 42 5.488 3.260 10.999 1.00 0.20 H new ATOM 0 HG13 ILE A 42 4.662 4.507 10.086 1.00 0.20 H new ATOM 0 HG21 ILE A 42 2.133 4.683 10.199 1.00 0.28 H new ATOM 0 HG22 ILE A 42 1.209 3.476 11.126 1.00 0.28 H new ATOM 0 HG23 ILE A 42 2.148 4.725 11.978 1.00 0.28 H new ATOM 0 HD11 ILE A 42 5.796 5.454 12.035 1.00 0.22 H new ATOM 0 HD12 ILE A 42 4.033 5.647 12.184 1.00 0.22 H new ATOM 0 HD13 ILE A 42 4.873 4.381 13.112 1.00 0.22 H new ATOM 679 N VAL A 43 2.238 0.160 11.946 1.00 0.25 N ATOM 680 CA VAL A 43 1.139 -0.796 12.016 1.00 0.29 C ATOM 681 C VAL A 43 0.746 -1.025 13.475 1.00 0.36 C ATOM 682 O VAL A 43 -0.417 -1.258 13.789 1.00 0.44 O ATOM 683 CB VAL A 43 1.490 -2.144 11.337 1.00 0.36 C ATOM 684 CG1 VAL A 43 0.427 -3.197 11.612 1.00 0.86 C ATOM 685 CG2 VAL A 43 1.652 -1.959 9.838 1.00 0.82 C ATOM 0 H VAL A 43 3.102 -0.208 11.549 1.00 0.25 H new ATOM 0 HA VAL A 43 0.296 -0.372 11.470 1.00 0.29 H new ATOM 0 HB VAL A 43 2.433 -2.489 11.761 1.00 0.36 H new ATOM 0 HG11 VAL A 43 0.704 -4.130 11.122 1.00 0.86 H new ATOM 0 HG12 VAL A 43 0.347 -3.362 12.687 1.00 0.86 H new ATOM 0 HG13 VAL A 43 -0.533 -2.855 11.225 1.00 0.86 H new ATOM 0 HG21 VAL A 43 1.898 -2.916 9.378 1.00 0.82 H new ATOM 0 HG22 VAL A 43 0.721 -1.582 9.415 1.00 0.82 H new ATOM 0 HG23 VAL A 43 2.453 -1.246 9.644 1.00 0.82 H new ATOM 695 N THR A 44 1.715 -0.916 14.368 1.00 0.36 N ATOM 696 CA THR A 44 1.443 -1.062 15.790 1.00 0.43 C ATOM 697 C THR A 44 1.215 0.305 16.444 1.00 0.44 C ATOM 698 O THR A 44 0.730 0.392 17.573 1.00 0.52 O ATOM 699 CB THR A 44 2.566 -1.839 16.522 1.00 0.45 C ATOM 700 OG1 THR A 44 2.146 -2.157 17.852 1.00 0.54 O ATOM 701 CG2 THR A 44 3.859 -1.045 16.588 1.00 0.42 C ATOM 0 H THR A 44 2.691 -0.728 14.137 1.00 0.36 H new ATOM 0 HA THR A 44 0.530 -1.650 15.883 1.00 0.43 H new ATOM 0 HB THR A 44 2.756 -2.749 15.954 1.00 0.45 H new ATOM 0 HG1 THR A 44 1.453 -1.525 18.136 1.00 0.54 H new ATOM 0 HG21 THR A 44 4.618 -1.628 17.109 1.00 0.42 H new ATOM 0 HG22 THR A 44 4.202 -0.824 15.577 1.00 0.42 H new ATOM 0 HG23 THR A 44 3.686 -0.112 17.125 1.00 0.42 H new ATOM 709 N LYS A 45 1.582 1.367 15.735 1.00 0.39 N ATOM 710 CA LYS A 45 1.356 2.727 16.218 1.00 0.41 C ATOM 711 C LYS A 45 0.016 3.288 15.747 1.00 0.40 C ATOM 712 O LYS A 45 -0.882 3.537 16.553 1.00 0.45 O ATOM 713 CB LYS A 45 2.468 3.649 15.712 1.00 0.40 C ATOM 714 CG LYS A 45 3.698 3.741 16.601 1.00 0.47 C ATOM 715 CD LYS A 45 4.767 4.599 15.934 1.00 0.56 C ATOM 716 CE LYS A 45 5.842 5.052 16.910 1.00 1.19 C ATOM 717 NZ LYS A 45 6.618 3.921 17.479 1.00 2.01 N ATOM 0 H LYS A 45 2.037 1.314 14.824 1.00 0.39 H new ATOM 0 HA LYS A 45 1.352 2.683 17.307 1.00 0.41 H new ATOM 0 HB2 LYS A 45 2.779 3.306 14.725 1.00 0.40 H new ATOM 0 HB3 LYS A 45 2.056 4.650 15.586 1.00 0.40 H new ATOM 0 HG2 LYS A 45 3.427 4.170 17.566 1.00 0.47 H new ATOM 0 HG3 LYS A 45 4.091 2.743 16.795 1.00 0.47 H new ATOM 0 HD2 LYS A 45 5.230 4.034 15.125 1.00 0.56 H new ATOM 0 HD3 LYS A 45 4.298 5.474 15.484 1.00 0.56 H new ATOM 0 HE2 LYS A 45 6.523 5.734 16.402 1.00 1.19 H new ATOM 0 HE3 LYS A 45 5.377 5.612 17.721 1.00 1.19 H new ATOM 0 HZ1 LYS A 45 7.400 4.292 18.056 1.00 2.01 H new ATOM 0 HZ2 LYS A 45 5.995 3.337 18.073 1.00 2.01 H new ATOM 0 HZ3 LYS A 45 7.003 3.341 16.707 1.00 2.01 H new ATOM 731 N GLU A 46 -0.121 3.462 14.439 1.00 0.35 N ATOM 732 CA GLU A 46 -1.310 4.075 13.867 1.00 0.37 C ATOM 733 C GLU A 46 -2.280 3.030 13.334 1.00 0.37 C ATOM 734 O GLU A 46 -3.480 3.283 13.236 1.00 0.41 O ATOM 735 CB GLU A 46 -0.908 5.021 12.738 1.00 0.36 C ATOM 736 CG GLU A 46 -0.044 6.184 13.196 1.00 0.39 C ATOM 737 CD GLU A 46 -0.715 7.011 14.272 1.00 1.36 C ATOM 738 OE1 GLU A 46 -1.728 7.677 13.975 1.00 2.00 O ATOM 739 OE2 GLU A 46 -0.222 7.013 15.419 1.00 2.01 O ATOM 0 H GLU A 46 0.581 3.185 13.752 1.00 0.35 H new ATOM 0 HA GLU A 46 -1.814 4.630 14.658 1.00 0.37 H new ATOM 0 HB2 GLU A 46 -0.369 4.457 11.977 1.00 0.36 H new ATOM 0 HB3 GLU A 46 -1.809 5.413 12.266 1.00 0.36 H new ATOM 0 HG2 GLU A 46 0.905 5.802 13.573 1.00 0.39 H new ATOM 0 HG3 GLU A 46 0.186 6.821 12.342 1.00 0.39 H new ATOM 746 N ARG A 47 -1.746 1.864 12.986 1.00 0.35 N ATOM 747 CA ARG A 47 -2.535 0.777 12.413 1.00 0.35 C ATOM 748 C ARG A 47 -3.164 1.179 11.075 1.00 0.26 C ATOM 749 O ARG A 47 -4.389 1.243 10.962 1.00 0.31 O ATOM 750 CB ARG A 47 -3.637 0.332 13.386 1.00 0.48 C ATOM 751 CG ARG A 47 -3.432 -1.053 13.975 1.00 0.73 C ATOM 752 CD ARG A 47 -3.497 -2.122 12.900 1.00 1.59 C ATOM 753 NE ARG A 47 -3.906 -3.422 13.435 1.00 2.33 N ATOM 754 CZ ARG A 47 -4.242 -4.475 12.684 1.00 3.40 C ATOM 755 NH1 ARG A 47 -4.191 -4.401 11.359 1.00 3.94 N ATOM 756 NH2 ARG A 47 -4.644 -5.600 13.262 1.00 4.15 N ATOM 0 H ARG A 47 -0.755 1.645 13.093 1.00 0.35 H new ATOM 0 HA ARG A 47 -1.853 -0.055 12.236 1.00 0.35 H new ATOM 0 HB2 ARG A 47 -3.699 1.054 14.200 1.00 0.48 H new ATOM 0 HB3 ARG A 47 -4.595 0.354 12.866 1.00 0.48 H new ATOM 0 HG2 ARG A 47 -2.466 -1.098 14.478 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -4.194 -1.246 14.730 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -4.199 -1.813 12.125 1.00 1.59 H new ATOM 0 HD3 ARG A 47 -2.520 -2.217 12.426 1.00 1.59 H new ATOM 0 HE ARG A 47 -3.937 -3.531 14.449 1.00 2.33 H new ATOM 0 HH11 ARG A 47 -3.894 -3.536 10.908 1.00 3.94 H new ATOM 0 HH12 ARG A 47 -4.449 -5.209 10.793 1.00 3.94 H new ATOM 0 HH21 ARG A 47 -4.696 -5.660 14.279 1.00 4.15 H new ATOM 0 HH22 ARG A 47 -4.901 -6.404 12.689 1.00 4.15 H new ATOM 770 N PRO A 48 -2.351 1.490 10.043 1.00 0.19 N ATOM 771 CA PRO A 48 -2.878 1.773 8.708 1.00 0.17 C ATOM 772 C PRO A 48 -3.546 0.560 8.066 1.00 0.22 C ATOM 773 O PRO A 48 -3.250 -0.585 8.418 1.00 0.33 O ATOM 774 CB PRO A 48 -1.660 2.217 7.901 1.00 0.19 C ATOM 775 CG PRO A 48 -0.621 2.551 8.919 1.00 0.22 C ATOM 776 CD PRO A 48 -0.886 1.636 10.083 1.00 0.22 C ATOM 0 HA PRO A 48 -3.661 2.531 8.748 1.00 0.17 H new ATOM 0 HB2 PRO A 48 -1.319 1.425 7.234 1.00 0.19 H new ATOM 0 HB3 PRO A 48 -1.893 3.080 7.278 1.00 0.19 H new ATOM 0 HG2 PRO A 48 0.382 2.398 8.520 1.00 0.22 H new ATOM 0 HG3 PRO A 48 -0.688 3.597 9.219 1.00 0.22 H new ATOM 0 HD2 PRO A 48 -0.379 0.678 9.970 1.00 0.22 H new ATOM 0 HD3 PRO A 48 -0.546 2.067 11.025 1.00 0.22 H new ATOM 784 N ASP A 49 -4.446 0.822 7.126 1.00 0.23 N ATOM 785 CA ASP A 49 -5.240 -0.230 6.505 1.00 0.29 C ATOM 786 C ASP A 49 -4.748 -0.524 5.093 1.00 0.25 C ATOM 787 O ASP A 49 -4.884 -1.646 4.599 1.00 0.31 O ATOM 788 CB ASP A 49 -6.717 0.163 6.475 1.00 0.37 C ATOM 789 CG ASP A 49 -7.605 -0.962 5.978 1.00 1.20 C ATOM 790 OD1 ASP A 49 -7.705 -1.992 6.674 1.00 1.40 O ATOM 791 OD2 ASP A 49 -8.215 -0.816 4.901 1.00 2.12 O ATOM 0 H ASP A 49 -4.645 1.759 6.776 1.00 0.23 H new ATOM 0 HA ASP A 49 -5.127 -1.134 7.103 1.00 0.29 H new ATOM 0 HB2 ASP A 49 -7.033 0.456 7.476 1.00 0.37 H new ATOM 0 HB3 ASP A 49 -6.845 1.034 5.833 1.00 0.37 H new ATOM 796 N LEU A 50 -4.163 0.478 4.445 1.00 0.21 N ATOM 797 CA LEU A 50 -3.601 0.270 3.126 1.00 0.22 C ATOM 798 C LEU A 50 -2.097 0.324 3.244 1.00 0.19 C ATOM 799 O LEU A 50 -1.563 1.047 4.084 1.00 0.20 O ATOM 800 CB LEU A 50 -4.040 1.319 2.086 1.00 0.28 C ATOM 801 CG LEU A 50 -5.551 1.552 1.854 1.00 0.46 C ATOM 802 CD1 LEU A 50 -6.263 0.267 1.507 1.00 1.39 C ATOM 803 CD2 LEU A 50 -6.220 2.223 3.043 1.00 1.21 C ATOM 0 H LEU A 50 -4.069 1.426 4.809 1.00 0.21 H new ATOM 0 HA LEU A 50 -3.964 -0.695 2.774 1.00 0.22 H new ATOM 0 HB2 LEU A 50 -3.599 2.273 2.374 1.00 0.28 H new ATOM 0 HB3 LEU A 50 -3.599 1.040 1.129 1.00 0.28 H new ATOM 0 HG LEU A 50 -5.630 2.230 1.004 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -7.323 0.469 1.351 1.00 1.39 H new ATOM 0 HD12 LEU A 50 -5.835 -0.151 0.596 1.00 1.39 H new ATOM 0 HD13 LEU A 50 -6.146 -0.446 2.323 1.00 1.39 H new ATOM 0 HD21 LEU A 50 -7.280 2.365 2.832 1.00 1.21 H new ATOM 0 HD22 LEU A 50 -6.107 1.595 3.926 1.00 1.21 H new ATOM 0 HD23 LEU A 50 -5.753 3.191 3.225 1.00 1.21 H new ATOM 815 N VAL A 51 -1.411 -0.429 2.423 1.00 0.22 N ATOM 816 CA VAL A 51 0.031 -0.443 2.466 1.00 0.23 C ATOM 817 C VAL A 51 0.618 -0.127 1.107 1.00 0.27 C ATOM 818 O VAL A 51 0.103 -0.549 0.081 1.00 0.48 O ATOM 819 CB VAL A 51 0.569 -1.807 2.942 1.00 0.31 C ATOM 820 CG1 VAL A 51 2.088 -1.802 2.996 1.00 0.34 C ATOM 821 CG2 VAL A 51 -0.010 -2.169 4.299 1.00 0.40 C ATOM 0 H VAL A 51 -1.825 -1.039 1.718 1.00 0.22 H new ATOM 0 HA VAL A 51 0.334 0.324 3.179 1.00 0.23 H new ATOM 0 HB VAL A 51 0.256 -2.562 2.221 1.00 0.31 H new ATOM 0 HG11 VAL A 51 2.443 -2.775 3.335 1.00 0.34 H new ATOM 0 HG12 VAL A 51 2.487 -1.596 2.003 1.00 0.34 H new ATOM 0 HG13 VAL A 51 2.425 -1.031 3.689 1.00 0.34 H new ATOM 0 HG21 VAL A 51 0.383 -3.135 4.616 1.00 0.40 H new ATOM 0 HG22 VAL A 51 0.267 -1.407 5.028 1.00 0.40 H new ATOM 0 HG23 VAL A 51 -1.096 -2.225 4.228 1.00 0.40 H new ATOM 831 N LEU A 52 1.665 0.661 1.125 1.00 0.23 N ATOM 832 CA LEU A 52 2.524 0.858 -0.016 1.00 0.26 C ATOM 833 C LEU A 52 3.884 0.279 0.328 1.00 0.23 C ATOM 834 O LEU A 52 4.554 0.789 1.208 1.00 0.26 O ATOM 835 CB LEU A 52 2.646 2.356 -0.329 1.00 0.30 C ATOM 836 CG LEU A 52 1.685 2.881 -1.393 1.00 0.45 C ATOM 837 CD1 LEU A 52 1.952 4.346 -1.692 1.00 1.08 C ATOM 838 CD2 LEU A 52 1.796 2.059 -2.664 1.00 1.37 C ATOM 0 H LEU A 52 1.949 1.193 1.948 1.00 0.23 H new ATOM 0 HA LEU A 52 2.113 0.363 -0.896 1.00 0.26 H new ATOM 0 HB2 LEU A 52 2.484 2.917 0.591 1.00 0.30 H new ATOM 0 HB3 LEU A 52 3.667 2.561 -0.652 1.00 0.30 H new ATOM 0 HG LEU A 52 0.671 2.790 -1.003 1.00 0.45 H new ATOM 0 HD11 LEU A 52 1.254 4.695 -2.453 1.00 1.08 H new ATOM 0 HD12 LEU A 52 1.821 4.933 -0.783 1.00 1.08 H new ATOM 0 HD13 LEU A 52 2.973 4.463 -2.055 1.00 1.08 H new ATOM 0 HD21 LEU A 52 1.104 2.448 -3.411 1.00 1.37 H new ATOM 0 HD22 LEU A 52 2.814 2.118 -3.048 1.00 1.37 H new ATOM 0 HD23 LEU A 52 1.550 1.019 -2.448 1.00 1.37 H new ATOM 850 N LEU A 53 4.291 -0.791 -0.326 1.00 0.22 N ATOM 851 CA LEU A 53 5.531 -1.451 0.074 1.00 0.22 C ATOM 852 C LEU A 53 6.540 -1.510 -1.072 1.00 0.19 C ATOM 853 O LEU A 53 6.204 -1.951 -2.178 1.00 0.20 O ATOM 854 CB LEU A 53 5.230 -2.873 0.567 1.00 0.31 C ATOM 855 CG LEU A 53 6.024 -3.355 1.795 1.00 0.49 C ATOM 856 CD1 LEU A 53 7.509 -3.067 1.650 1.00 1.20 C ATOM 857 CD2 LEU A 53 5.488 -2.727 3.068 1.00 0.96 C ATOM 0 H LEU A 53 3.803 -1.217 -1.114 1.00 0.22 H new ATOM 0 HA LEU A 53 5.972 -0.863 0.879 1.00 0.22 H new ATOM 0 HB2 LEU A 53 4.167 -2.935 0.801 1.00 0.31 H new ATOM 0 HB3 LEU A 53 5.417 -3.566 -0.254 1.00 0.31 H new ATOM 0 HG LEU A 53 5.896 -4.436 1.859 1.00 0.49 H new ATOM 0 HD11 LEU A 53 8.036 -3.421 2.536 1.00 1.20 H new ATOM 0 HD12 LEU A 53 7.895 -3.580 0.769 1.00 1.20 H new ATOM 0 HD13 LEU A 53 7.662 -1.993 1.541 1.00 1.20 H new ATOM 0 HD21 LEU A 53 6.066 -3.084 3.921 1.00 0.96 H new ATOM 0 HD22 LEU A 53 5.571 -1.642 3.001 1.00 0.96 H new ATOM 0 HD23 LEU A 53 4.442 -3.003 3.197 1.00 0.96 H new ATOM 869 N ASP A 54 7.766 -1.043 -0.815 1.00 0.20 N ATOM 870 CA ASP A 54 8.883 -1.306 -1.713 1.00 0.19 C ATOM 871 C ASP A 54 9.855 -2.276 -1.049 1.00 0.18 C ATOM 872 O ASP A 54 10.304 -2.045 0.072 1.00 0.24 O ATOM 873 CB ASP A 54 9.603 -0.006 -2.092 1.00 0.23 C ATOM 874 CG ASP A 54 10.830 -0.250 -2.952 1.00 0.36 C ATOM 875 OD1 ASP A 54 10.828 -1.217 -3.742 1.00 0.27 O ATOM 876 OD2 ASP A 54 11.808 0.518 -2.834 1.00 0.83 O ATOM 0 H ASP A 54 8.004 -0.484 0.004 1.00 0.20 H new ATOM 0 HA ASP A 54 8.496 -1.753 -2.629 1.00 0.19 H new ATOM 0 HB2 ASP A 54 8.912 0.645 -2.627 1.00 0.23 H new ATOM 0 HB3 ASP A 54 9.898 0.520 -1.184 1.00 0.23 H new ATOM 881 N MET A 55 10.163 -3.374 -1.727 1.00 0.27 N ATOM 882 CA MET A 55 11.088 -4.356 -1.192 1.00 0.31 C ATOM 883 C MET A 55 12.505 -4.033 -1.651 1.00 0.32 C ATOM 884 O MET A 55 13.478 -4.579 -1.134 1.00 0.43 O ATOM 885 CB MET A 55 10.662 -5.790 -1.565 1.00 0.38 C ATOM 886 CG MET A 55 11.591 -6.541 -2.513 1.00 0.48 C ATOM 887 SD MET A 55 11.406 -6.049 -4.233 1.00 1.23 S ATOM 888 CE MET A 55 12.530 -7.195 -5.027 1.00 1.60 C ATOM 0 H MET A 55 9.785 -3.604 -2.646 1.00 0.27 H new ATOM 0 HA MET A 55 11.069 -4.306 -0.103 1.00 0.31 H new ATOM 0 HB2 MET A 55 10.567 -6.370 -0.647 1.00 0.38 H new ATOM 0 HB3 MET A 55 9.672 -5.747 -2.018 1.00 0.38 H new ATOM 0 HG2 MET A 55 12.623 -6.376 -2.205 1.00 0.48 H new ATOM 0 HG3 MET A 55 11.399 -7.611 -2.426 1.00 0.48 H new ATOM 0 HE1 MET A 55 12.530 -7.018 -6.103 1.00 1.60 H new ATOM 0 HE2 MET A 55 13.536 -7.048 -4.635 1.00 1.60 H new ATOM 0 HE3 MET A 55 12.209 -8.217 -4.827 1.00 1.60 H new ATOM 898 N LYS A 56 12.614 -3.096 -2.590 1.00 0.29 N ATOM 899 CA LYS A 56 13.908 -2.553 -2.985 1.00 0.35 C ATOM 900 C LYS A 56 14.290 -1.435 -2.032 1.00 0.30 C ATOM 901 O LYS A 56 15.168 -0.614 -2.314 1.00 0.37 O ATOM 902 CB LYS A 56 13.878 -2.028 -4.421 1.00 0.49 C ATOM 903 CG LYS A 56 13.831 -3.128 -5.464 1.00 0.76 C ATOM 904 CD LYS A 56 12.417 -3.410 -5.961 1.00 1.11 C ATOM 905 CE LYS A 56 11.777 -2.202 -6.637 1.00 1.26 C ATOM 906 NZ LYS A 56 12.646 -1.636 -7.701 1.00 2.37 N ATOM 0 H LYS A 56 11.820 -2.698 -3.091 1.00 0.29 H new ATOM 0 HA LYS A 56 14.648 -3.352 -2.940 1.00 0.35 H new ATOM 0 HB2 LYS A 56 13.009 -1.382 -4.546 1.00 0.49 H new ATOM 0 HB3 LYS A 56 14.760 -1.412 -4.593 1.00 0.49 H new ATOM 0 HG2 LYS A 56 14.459 -2.848 -6.309 1.00 0.76 H new ATOM 0 HG3 LYS A 56 14.252 -4.041 -5.042 1.00 0.76 H new ATOM 0 HD2 LYS A 56 12.443 -4.243 -6.664 1.00 1.11 H new ATOM 0 HD3 LYS A 56 11.797 -3.722 -5.121 1.00 1.11 H new ATOM 0 HE2 LYS A 56 10.819 -2.493 -7.068 1.00 1.26 H new ATOM 0 HE3 LYS A 56 11.571 -1.435 -5.890 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 12.112 -0.930 -8.247 1.00 2.37 H new ATOM 0 HZ2 LYS A 56 13.475 -1.183 -7.267 1.00 2.37 H new ATOM 0 HZ3 LYS A 56 12.960 -2.398 -8.335 1.00 2.37 H new ATOM 920 N ILE A 57 13.642 -1.449 -0.882 1.00 0.24 N ATOM 921 CA ILE A 57 13.833 -0.434 0.129 1.00 0.24 C ATOM 922 C ILE A 57 15.134 -0.715 0.889 1.00 0.29 C ATOM 923 O ILE A 57 15.375 -1.832 1.357 1.00 0.32 O ATOM 924 CB ILE A 57 12.594 -0.362 1.088 1.00 0.22 C ATOM 925 CG1 ILE A 57 12.266 1.090 1.426 1.00 0.24 C ATOM 926 CG2 ILE A 57 12.796 -1.171 2.372 1.00 0.25 C ATOM 927 CD1 ILE A 57 13.290 1.776 2.297 1.00 0.29 C ATOM 0 H ILE A 57 12.967 -2.169 -0.625 1.00 0.24 H new ATOM 0 HA ILE A 57 13.918 0.543 -0.346 1.00 0.24 H new ATOM 0 HB ILE A 57 11.755 -0.809 0.555 1.00 0.22 H new ATOM 0 HG12 ILE A 57 12.162 1.652 0.498 1.00 0.24 H new ATOM 0 HG13 ILE A 57 11.299 1.124 1.928 1.00 0.24 H new ATOM 0 HG21 ILE A 57 11.908 -1.086 2.999 1.00 0.25 H new ATOM 0 HG22 ILE A 57 12.963 -2.218 2.120 1.00 0.25 H new ATOM 0 HG23 ILE A 57 13.660 -0.785 2.913 1.00 0.25 H new ATOM 0 HD11 ILE A 57 12.977 2.803 2.487 1.00 0.29 H new ATOM 0 HD12 ILE A 57 13.379 1.243 3.243 1.00 0.29 H new ATOM 0 HD13 ILE A 57 14.255 1.779 1.790 1.00 0.29 H new ATOM 939 N PRO A 58 16.030 0.282 0.932 1.00 0.33 N ATOM 940 CA PRO A 58 17.314 0.159 1.620 1.00 0.38 C ATOM 941 C PRO A 58 17.152 -0.168 3.099 1.00 0.37 C ATOM 942 O PRO A 58 16.556 0.597 3.858 1.00 0.37 O ATOM 943 CB PRO A 58 17.959 1.529 1.442 1.00 0.43 C ATOM 944 CG PRO A 58 17.256 2.150 0.284 1.00 0.41 C ATOM 945 CD PRO A 58 15.866 1.595 0.293 1.00 0.36 C ATOM 0 HA PRO A 58 17.911 -0.657 1.213 1.00 0.38 H new ATOM 0 HB2 PRO A 58 17.847 2.136 2.341 1.00 0.43 H new ATOM 0 HB3 PRO A 58 19.028 1.438 1.250 1.00 0.43 H new ATOM 0 HG2 PRO A 58 17.242 3.236 0.374 1.00 0.41 H new ATOM 0 HG3 PRO A 58 17.763 1.914 -0.651 1.00 0.41 H new ATOM 0 HD2 PRO A 58 15.182 2.232 0.853 1.00 0.36 H new ATOM 0 HD3 PRO A 58 15.463 1.504 -0.716 1.00 0.36 H new ATOM 953 N GLY A 59 17.708 -1.302 3.505 1.00 0.41 N ATOM 954 CA GLY A 59 17.588 -1.746 4.876 1.00 0.44 C ATOM 955 C GLY A 59 17.082 -3.172 4.972 1.00 0.42 C ATOM 956 O GLY A 59 17.827 -4.120 4.721 1.00 0.55 O ATOM 0 H GLY A 59 18.244 -1.926 2.902 1.00 0.41 H new ATOM 0 HA2 GLY A 59 18.559 -1.673 5.367 1.00 0.44 H new ATOM 0 HA3 GLY A 59 16.909 -1.084 5.413 1.00 0.44 H new ATOM 960 N MET A 60 15.810 -3.322 5.310 1.00 0.38 N ATOM 961 CA MET A 60 15.207 -4.642 5.476 1.00 0.39 C ATOM 962 C MET A 60 14.584 -5.123 4.178 1.00 0.36 C ATOM 963 O MET A 60 14.394 -4.345 3.242 1.00 0.34 O ATOM 964 CB MET A 60 14.135 -4.626 6.566 1.00 0.40 C ATOM 965 CG MET A 60 14.670 -4.321 7.956 1.00 0.53 C ATOM 966 SD MET A 60 15.889 -5.527 8.513 1.00 0.78 S ATOM 967 CE MET A 60 16.382 -4.819 10.085 1.00 1.51 C ATOM 0 H MET A 60 15.171 -2.545 5.476 1.00 0.38 H new ATOM 0 HA MET A 60 16.005 -5.324 5.768 1.00 0.39 H new ATOM 0 HB2 MET A 60 13.380 -3.884 6.308 1.00 0.40 H new ATOM 0 HB3 MET A 60 13.636 -5.595 6.585 1.00 0.40 H new ATOM 0 HG2 MET A 60 15.120 -3.328 7.958 1.00 0.53 H new ATOM 0 HG3 MET A 60 13.840 -4.296 8.663 1.00 0.53 H new ATOM 0 HE1 MET A 60 17.433 -5.040 10.270 1.00 1.51 H new ATOM 0 HE2 MET A 60 16.237 -3.739 10.059 1.00 1.51 H new ATOM 0 HE3 MET A 60 15.776 -5.247 10.883 1.00 1.51 H new ATOM 977 N ASP A 61 14.252 -6.405 4.128 1.00 0.38 N ATOM 978 CA ASP A 61 13.611 -6.972 2.953 1.00 0.38 C ATOM 979 C ASP A 61 12.125 -6.725 3.049 1.00 0.32 C ATOM 980 O ASP A 61 11.402 -7.495 3.682 1.00 0.33 O ATOM 981 CB ASP A 61 13.869 -8.469 2.827 1.00 0.48 C ATOM 982 CG ASP A 61 15.278 -8.859 3.228 1.00 0.70 C ATOM 983 OD1 ASP A 61 16.205 -8.686 2.409 1.00 0.88 O ATOM 984 OD2 ASP A 61 15.468 -9.327 4.370 1.00 0.84 O ATOM 0 H ASP A 61 14.416 -7.069 4.885 1.00 0.38 H new ATOM 0 HA ASP A 61 14.030 -6.492 2.069 1.00 0.38 H new ATOM 0 HB2 ASP A 61 13.156 -9.009 3.450 1.00 0.48 H new ATOM 0 HB3 ASP A 61 13.691 -8.778 1.797 1.00 0.48 H new ATOM 989 N GLY A 62 11.684 -5.633 2.442 1.00 0.33 N ATOM 990 CA GLY A 62 10.300 -5.223 2.546 1.00 0.37 C ATOM 991 C GLY A 62 9.336 -6.319 2.157 1.00 0.36 C ATOM 992 O GLY A 62 8.248 -6.403 2.718 1.00 0.40 O ATOM 0 H GLY A 62 12.267 -5.019 1.874 1.00 0.33 H new ATOM 0 HA2 GLY A 62 10.094 -4.910 3.570 1.00 0.37 H new ATOM 0 HA3 GLY A 62 10.134 -4.355 1.908 1.00 0.37 H new ATOM 996 N ILE A 63 9.759 -7.171 1.224 1.00 0.35 N ATOM 997 CA ILE A 63 8.928 -8.259 0.717 1.00 0.36 C ATOM 998 C ILE A 63 8.328 -9.090 1.849 1.00 0.32 C ATOM 999 O ILE A 63 7.106 -9.251 1.937 1.00 0.33 O ATOM 1000 CB ILE A 63 9.726 -9.172 -0.253 1.00 0.42 C ATOM 1001 CG1 ILE A 63 8.930 -10.434 -0.600 1.00 0.64 C ATOM 1002 CG2 ILE A 63 11.087 -9.533 0.331 1.00 0.39 C ATOM 1003 CD1 ILE A 63 9.657 -11.374 -1.540 1.00 1.60 C ATOM 0 H ILE A 63 10.686 -7.126 0.800 1.00 0.35 H new ATOM 0 HA ILE A 63 8.108 -7.799 0.166 1.00 0.36 H new ATOM 0 HB ILE A 63 9.892 -8.614 -1.175 1.00 0.42 H new ATOM 0 HG12 ILE A 63 8.692 -10.967 0.320 1.00 0.64 H new ATOM 0 HG13 ILE A 63 7.983 -10.142 -1.053 1.00 0.64 H new ATOM 0 HG21 ILE A 63 11.625 -10.173 -0.368 1.00 0.39 H new ATOM 0 HG22 ILE A 63 11.661 -8.623 0.505 1.00 0.39 H new ATOM 0 HG23 ILE A 63 10.950 -10.062 1.274 1.00 0.39 H new ATOM 0 HD11 ILE A 63 9.032 -12.244 -1.740 1.00 1.60 H new ATOM 0 HD12 ILE A 63 9.871 -10.859 -2.476 1.00 1.60 H new ATOM 0 HD13 ILE A 63 10.592 -11.696 -1.081 1.00 1.60 H new ATOM 1015 N GLU A 64 9.180 -9.561 2.741 1.00 0.31 N ATOM 1016 CA GLU A 64 8.753 -10.434 3.812 1.00 0.33 C ATOM 1017 C GLU A 64 7.766 -9.725 4.724 1.00 0.28 C ATOM 1018 O GLU A 64 6.923 -10.360 5.353 1.00 0.30 O ATOM 1019 CB GLU A 64 9.976 -10.882 4.607 1.00 0.40 C ATOM 1020 CG GLU A 64 11.039 -11.538 3.746 1.00 0.49 C ATOM 1021 CD GLU A 64 10.579 -12.862 3.175 1.00 0.69 C ATOM 1022 OE1 GLU A 64 10.732 -13.893 3.862 1.00 0.97 O ATOM 1023 OE2 GLU A 64 10.051 -12.883 2.049 1.00 0.86 O ATOM 0 H GLU A 64 10.178 -9.350 2.742 1.00 0.31 H new ATOM 0 HA GLU A 64 8.252 -11.303 3.386 1.00 0.33 H new ATOM 0 HB2 GLU A 64 10.409 -10.019 5.113 1.00 0.40 H new ATOM 0 HB3 GLU A 64 9.662 -11.582 5.382 1.00 0.40 H new ATOM 0 HG2 GLU A 64 11.308 -10.867 2.930 1.00 0.49 H new ATOM 0 HG3 GLU A 64 11.939 -11.694 4.340 1.00 0.49 H new ATOM 1030 N ILE A 65 7.856 -8.404 4.770 1.00 0.27 N ATOM 1031 CA ILE A 65 7.013 -7.633 5.657 1.00 0.27 C ATOM 1032 C ILE A 65 5.563 -7.621 5.171 1.00 0.27 C ATOM 1033 O ILE A 65 4.663 -7.907 5.952 1.00 0.29 O ATOM 1034 CB ILE A 65 7.531 -6.182 5.851 1.00 0.28 C ATOM 1035 CG1 ILE A 65 8.726 -6.147 6.820 1.00 0.30 C ATOM 1036 CG2 ILE A 65 6.421 -5.277 6.366 1.00 0.34 C ATOM 1037 CD1 ILE A 65 9.986 -6.789 6.284 1.00 0.32 C ATOM 0 H ILE A 65 8.501 -7.851 4.206 1.00 0.27 H new ATOM 0 HA ILE A 65 7.051 -8.126 6.628 1.00 0.27 H new ATOM 0 HB ILE A 65 7.861 -5.816 4.879 1.00 0.28 H new ATOM 0 HG12 ILE A 65 8.942 -5.109 7.074 1.00 0.30 H new ATOM 0 HG13 ILE A 65 8.443 -6.649 7.745 1.00 0.30 H new ATOM 0 HG21 ILE A 65 6.806 -4.266 6.495 1.00 0.34 H new ATOM 0 HG22 ILE A 65 5.600 -5.264 5.649 1.00 0.34 H new ATOM 0 HG23 ILE A 65 6.060 -5.652 7.324 1.00 0.34 H new ATOM 0 HD11 ILE A 65 10.776 -6.719 7.032 1.00 0.32 H new ATOM 0 HD12 ILE A 65 9.792 -7.837 6.058 1.00 0.32 H new ATOM 0 HD13 ILE A 65 10.299 -6.274 5.376 1.00 0.32 H new ATOM 1049 N LEU A 66 5.315 -7.340 3.885 1.00 0.29 N ATOM 1050 CA LEU A 66 3.946 -7.301 3.417 1.00 0.34 C ATOM 1051 C LEU A 66 3.344 -8.695 3.287 1.00 0.32 C ATOM 1052 O LEU A 66 2.120 -8.860 3.399 1.00 0.34 O ATOM 1053 CB LEU A 66 3.787 -6.431 2.147 1.00 0.52 C ATOM 1054 CG LEU A 66 4.489 -6.817 0.817 1.00 1.02 C ATOM 1055 CD1 LEU A 66 5.975 -6.584 0.891 1.00 1.98 C ATOM 1056 CD2 LEU A 66 4.200 -8.238 0.378 1.00 1.67 C ATOM 0 H LEU A 66 6.025 -7.144 3.180 1.00 0.29 H new ATOM 0 HA LEU A 66 3.355 -6.801 4.185 1.00 0.34 H new ATOM 0 HB2 LEU A 66 2.719 -6.366 1.937 1.00 0.52 H new ATOM 0 HB3 LEU A 66 4.123 -5.427 2.405 1.00 0.52 H new ATOM 0 HG LEU A 66 4.066 -6.159 0.058 1.00 1.02 H new ATOM 0 HD11 LEU A 66 6.435 -6.865 -0.057 1.00 1.98 H new ATOM 0 HD12 LEU A 66 6.169 -5.530 1.090 1.00 1.98 H new ATOM 0 HD13 LEU A 66 6.399 -7.189 1.693 1.00 1.98 H new ATOM 0 HD21 LEU A 66 4.721 -8.443 -0.557 1.00 1.67 H new ATOM 0 HD22 LEU A 66 4.544 -8.933 1.144 1.00 1.67 H new ATOM 0 HD23 LEU A 66 3.127 -8.362 0.231 1.00 1.67 H new ATOM 1068 N LYS A 67 4.186 -9.705 3.089 1.00 0.32 N ATOM 1069 CA LYS A 67 3.707 -11.080 3.123 1.00 0.37 C ATOM 1070 C LYS A 67 3.220 -11.396 4.543 1.00 0.38 C ATOM 1071 O LYS A 67 2.123 -11.919 4.751 1.00 0.44 O ATOM 1072 CB LYS A 67 4.811 -12.062 2.735 1.00 0.42 C ATOM 1073 CG LYS A 67 5.564 -11.679 1.473 1.00 0.40 C ATOM 1074 CD LYS A 67 6.866 -12.448 1.318 1.00 0.43 C ATOM 1075 CE LYS A 67 6.758 -13.873 1.825 1.00 1.34 C ATOM 1076 NZ LYS A 67 8.045 -14.609 1.700 1.00 1.27 N ATOM 0 H LYS A 67 5.184 -9.600 2.907 1.00 0.32 H new ATOM 0 HA LYS A 67 2.894 -11.186 2.405 1.00 0.37 H new ATOM 0 HB2 LYS A 67 5.520 -12.140 3.559 1.00 0.42 H new ATOM 0 HB3 LYS A 67 4.372 -13.050 2.598 1.00 0.42 H new ATOM 0 HG2 LYS A 67 4.931 -11.864 0.605 1.00 0.40 H new ATOM 0 HG3 LYS A 67 5.777 -10.610 1.491 1.00 0.40 H new ATOM 0 HD2 LYS A 67 7.155 -12.460 0.267 1.00 0.43 H new ATOM 0 HD3 LYS A 67 7.657 -11.931 1.861 1.00 0.43 H new ATOM 0 HE2 LYS A 67 6.446 -13.863 2.869 1.00 1.34 H new ATOM 0 HE3 LYS A 67 5.984 -14.399 1.266 1.00 1.34 H new ATOM 0 HZ1 LYS A 67 8.240 -15.119 2.585 1.00 1.27 H new ATOM 0 HZ2 LYS A 67 7.982 -15.288 0.915 1.00 1.27 H new ATOM 0 HZ3 LYS A 67 8.814 -13.934 1.512 1.00 1.27 H new ATOM 1090 N ARG A 68 4.039 -11.037 5.521 1.00 0.35 N ATOM 1091 CA ARG A 68 3.704 -11.209 6.916 1.00 0.41 C ATOM 1092 C ARG A 68 2.486 -10.367 7.280 1.00 0.39 C ATOM 1093 O ARG A 68 1.670 -10.784 8.079 1.00 0.46 O ATOM 1094 CB ARG A 68 4.924 -10.801 7.722 1.00 0.45 C ATOM 1095 CG ARG A 68 4.764 -10.809 9.221 1.00 0.49 C ATOM 1096 CD ARG A 68 6.106 -10.494 9.835 1.00 1.11 C ATOM 1097 NE ARG A 68 6.009 -10.026 11.215 1.00 1.70 N ATOM 1098 CZ ARG A 68 7.044 -9.564 11.914 1.00 2.45 C ATOM 1099 NH1 ARG A 68 8.256 -9.530 11.370 1.00 2.71 N ATOM 1100 NH2 ARG A 68 6.869 -9.132 13.157 1.00 3.22 N ATOM 0 H ARG A 68 4.955 -10.618 5.363 1.00 0.35 H new ATOM 0 HA ARG A 68 3.443 -12.245 7.132 1.00 0.41 H new ATOM 0 HB2 ARG A 68 5.746 -11.468 7.462 1.00 0.45 H new ATOM 0 HB3 ARG A 68 5.218 -9.798 7.414 1.00 0.45 H new ATOM 0 HG2 ARG A 68 4.022 -10.073 9.529 1.00 0.49 H new ATOM 0 HG3 ARG A 68 4.408 -11.782 9.561 1.00 0.49 H new ATOM 0 HD2 ARG A 68 6.732 -11.386 9.803 1.00 1.11 H new ATOM 0 HD3 ARG A 68 6.604 -9.733 9.234 1.00 1.11 H new ATOM 0 HE ARG A 68 5.096 -10.055 11.669 1.00 1.70 H new ATOM 0 HH11 ARG A 68 8.395 -9.858 10.414 1.00 2.71 H new ATOM 0 HH12 ARG A 68 9.047 -9.176 11.908 1.00 2.71 H new ATOM 0 HH21 ARG A 68 5.940 -9.154 13.578 1.00 3.22 H new ATOM 0 HH22 ARG A 68 7.663 -8.779 13.691 1.00 3.22 H new ATOM 1114 N MET A 69 2.346 -9.192 6.669 1.00 0.34 N ATOM 1115 CA MET A 69 1.190 -8.335 6.923 1.00 0.36 C ATOM 1116 C MET A 69 -0.116 -9.048 6.621 1.00 0.41 C ATOM 1117 O MET A 69 -1.009 -9.100 7.467 1.00 0.45 O ATOM 1118 CB MET A 69 1.251 -7.069 6.083 1.00 0.38 C ATOM 1119 CG MET A 69 2.351 -6.110 6.490 1.00 0.42 C ATOM 1120 SD MET A 69 2.341 -4.604 5.502 1.00 1.16 S ATOM 1121 CE MET A 69 3.429 -3.556 6.460 1.00 1.18 C ATOM 0 H MET A 69 3.015 -8.813 5.998 1.00 0.34 H new ATOM 0 HA MET A 69 1.223 -8.079 7.982 1.00 0.36 H new ATOM 0 HB2 MET A 69 1.393 -7.345 5.038 1.00 0.38 H new ATOM 0 HB3 MET A 69 0.292 -6.555 6.150 1.00 0.38 H new ATOM 0 HG2 MET A 69 2.235 -5.853 7.543 1.00 0.42 H new ATOM 0 HG3 MET A 69 3.317 -6.604 6.387 1.00 0.42 H new ATOM 0 HE1 MET A 69 2.911 -2.632 6.718 1.00 1.18 H new ATOM 0 HE2 MET A 69 3.722 -4.074 7.373 1.00 1.18 H new ATOM 0 HE3 MET A 69 4.318 -3.322 5.874 1.00 1.18 H new ATOM 1131 N LYS A 70 -0.248 -9.586 5.410 1.00 0.47 N ATOM 1132 CA LYS A 70 -1.469 -10.327 5.072 1.00 0.60 C ATOM 1133 C LYS A 70 -1.562 -11.570 5.954 1.00 0.66 C ATOM 1134 O LYS A 70 -2.637 -12.098 6.195 1.00 0.90 O ATOM 1135 CB LYS A 70 -1.525 -10.727 3.588 1.00 0.80 C ATOM 1136 CG LYS A 70 -0.736 -11.976 3.238 1.00 0.98 C ATOM 1137 CD LYS A 70 0.514 -11.675 2.437 1.00 1.71 C ATOM 1138 CE LYS A 70 0.246 -10.778 1.252 1.00 2.51 C ATOM 1139 NZ LYS A 70 0.242 -9.339 1.613 1.00 3.32 N ATOM 0 H LYS A 70 0.448 -9.529 4.666 1.00 0.47 H new ATOM 0 HA LYS A 70 -2.319 -9.669 5.254 1.00 0.60 H new ATOM 0 HB2 LYS A 70 -2.567 -10.881 3.306 1.00 0.80 H new ATOM 0 HB3 LYS A 70 -1.151 -9.897 2.988 1.00 0.80 H new ATOM 0 HG2 LYS A 70 -0.458 -12.494 4.156 1.00 0.98 H new ATOM 0 HG3 LYS A 70 -1.372 -12.655 2.669 1.00 0.98 H new ATOM 0 HD2 LYS A 70 1.251 -11.202 3.086 1.00 1.71 H new ATOM 0 HD3 LYS A 70 0.951 -12.611 2.088 1.00 1.71 H new ATOM 0 HE2 LYS A 70 1.004 -10.955 0.489 1.00 2.51 H new ATOM 0 HE3 LYS A 70 -0.716 -11.041 0.813 1.00 2.51 H new ATOM 0 HZ1 LYS A 70 0.670 -8.787 0.843 1.00 3.32 H new ATOM 0 HZ2 LYS A 70 -0.737 -9.022 1.764 1.00 3.32 H new ATOM 0 HZ3 LYS A 70 0.790 -9.199 2.486 1.00 3.32 H new ATOM 1153 N VAL A 71 -0.408 -12.018 6.422 1.00 0.59 N ATOM 1154 CA VAL A 71 -0.312 -13.110 7.375 1.00 0.66 C ATOM 1155 C VAL A 71 -0.822 -12.697 8.773 1.00 0.67 C ATOM 1156 O VAL A 71 -1.294 -13.540 9.540 1.00 0.79 O ATOM 1157 CB VAL A 71 1.152 -13.606 7.411 1.00 0.65 C ATOM 1158 CG1 VAL A 71 1.613 -13.963 8.805 1.00 0.76 C ATOM 1159 CG2 VAL A 71 1.321 -14.796 6.481 1.00 0.75 C ATOM 0 H VAL A 71 0.495 -11.630 6.148 1.00 0.59 H new ATOM 0 HA VAL A 71 -0.957 -13.928 7.056 1.00 0.66 H new ATOM 0 HB VAL A 71 1.779 -12.781 7.072 1.00 0.65 H new ATOM 0 HG11 VAL A 71 2.647 -14.305 8.770 1.00 0.76 H new ATOM 0 HG12 VAL A 71 1.542 -13.085 9.448 1.00 0.76 H new ATOM 0 HG13 VAL A 71 0.982 -14.757 9.205 1.00 0.76 H new ATOM 0 HG21 VAL A 71 2.355 -15.139 6.513 1.00 0.75 H new ATOM 0 HG22 VAL A 71 0.661 -15.603 6.799 1.00 0.75 H new ATOM 0 HG23 VAL A 71 1.068 -14.501 5.463 1.00 0.75 H new ATOM 1169 N ILE A 72 -0.756 -11.402 9.088 1.00 0.59 N ATOM 1170 CA ILE A 72 -1.219 -10.902 10.386 1.00 0.64 C ATOM 1171 C ILE A 72 -2.710 -10.583 10.357 1.00 0.66 C ATOM 1172 O ILE A 72 -3.444 -10.894 11.294 1.00 0.77 O ATOM 1173 CB ILE A 72 -0.487 -9.602 10.815 1.00 0.62 C ATOM 1174 CG1 ILE A 72 1.023 -9.718 10.611 1.00 0.57 C ATOM 1175 CG2 ILE A 72 -0.800 -9.278 12.271 1.00 0.79 C ATOM 1176 CD1 ILE A 72 1.805 -8.521 11.109 1.00 1.48 C ATOM 0 H ILE A 72 -0.388 -10.682 8.466 1.00 0.59 H new ATOM 0 HA ILE A 72 -1.004 -11.700 11.096 1.00 0.64 H new ATOM 0 HB ILE A 72 -0.848 -8.790 10.183 1.00 0.62 H new ATOM 0 HG12 ILE A 72 1.381 -10.611 11.123 1.00 0.57 H new ATOM 0 HG13 ILE A 72 1.226 -9.856 9.549 1.00 0.57 H new ATOM 0 HG21 ILE A 72 -0.281 -8.364 12.560 1.00 0.79 H new ATOM 0 HG22 ILE A 72 -1.874 -9.138 12.390 1.00 0.79 H new ATOM 0 HG23 ILE A 72 -0.469 -10.100 12.906 1.00 0.79 H new ATOM 0 HD11 ILE A 72 2.868 -8.680 10.928 1.00 1.48 H new ATOM 0 HD12 ILE A 72 1.477 -7.626 10.580 1.00 1.48 H new ATOM 0 HD13 ILE A 72 1.634 -8.394 12.178 1.00 1.48 H new ATOM 1188 N ASP A 73 -3.152 -9.976 9.267 1.00 0.61 N ATOM 1189 CA ASP A 73 -4.487 -9.391 9.215 1.00 0.67 C ATOM 1190 C ASP A 73 -5.401 -10.159 8.267 1.00 0.72 C ATOM 1191 O ASP A 73 -6.509 -10.541 8.635 1.00 0.85 O ATOM 1192 CB ASP A 73 -4.379 -7.938 8.757 1.00 0.64 C ATOM 1193 CG ASP A 73 -5.585 -7.115 9.135 1.00 0.97 C ATOM 1194 OD1 ASP A 73 -6.567 -7.100 8.363 1.00 1.88 O ATOM 1195 OD2 ASP A 73 -5.560 -6.487 10.206 1.00 0.91 O ATOM 0 H ASP A 73 -2.610 -9.875 8.409 1.00 0.61 H new ATOM 0 HA ASP A 73 -4.922 -9.443 10.213 1.00 0.67 H new ATOM 0 HB2 ASP A 73 -3.487 -7.489 9.194 1.00 0.64 H new ATOM 0 HB3 ASP A 73 -4.251 -7.911 7.675 1.00 0.64 H new ATOM 1200 N GLU A 74 -4.929 -10.309 7.027 1.00 0.67 N ATOM 1201 CA GLU A 74 -5.607 -11.068 5.962 1.00 0.75 C ATOM 1202 C GLU A 74 -6.656 -10.200 5.308 1.00 0.74 C ATOM 1203 O GLU A 74 -7.394 -10.630 4.423 1.00 0.86 O ATOM 1204 CB GLU A 74 -6.235 -12.362 6.484 1.00 0.88 C ATOM 1205 CG GLU A 74 -5.232 -13.317 7.098 1.00 0.99 C ATOM 1206 CD GLU A 74 -5.893 -14.543 7.678 1.00 1.19 C ATOM 1207 OE1 GLU A 74 -6.178 -15.490 6.916 1.00 1.31 O ATOM 1208 OE2 GLU A 74 -6.128 -14.571 8.906 1.00 1.31 O ATOM 0 H GLU A 74 -4.046 -9.899 6.724 1.00 0.67 H new ATOM 0 HA GLU A 74 -4.855 -11.353 5.226 1.00 0.75 H new ATOM 0 HB2 GLU A 74 -6.992 -12.114 7.229 1.00 0.88 H new ATOM 0 HB3 GLU A 74 -6.748 -12.864 5.664 1.00 0.88 H new ATOM 0 HG2 GLU A 74 -4.510 -13.620 6.340 1.00 0.99 H new ATOM 0 HG3 GLU A 74 -4.675 -12.802 7.881 1.00 0.99 H new ATOM 1215 N ASN A 75 -6.692 -8.963 5.752 1.00 0.68 N ATOM 1216 CA ASN A 75 -7.664 -7.997 5.287 1.00 0.74 C ATOM 1217 C ASN A 75 -6.961 -6.712 4.904 1.00 0.67 C ATOM 1218 O ASN A 75 -7.451 -5.933 4.089 1.00 0.76 O ATOM 1219 CB ASN A 75 -8.656 -7.742 6.403 1.00 0.85 C ATOM 1220 CG ASN A 75 -9.556 -8.932 6.637 1.00 0.95 C ATOM 1221 OD1 ASN A 75 -10.659 -9.016 6.099 1.00 1.14 O ATOM 1222 ND2 ASN A 75 -9.071 -9.874 7.426 1.00 1.00 N ATOM 0 H ASN A 75 -6.044 -8.597 6.450 1.00 0.68 H new ATOM 0 HA ASN A 75 -8.188 -8.378 4.410 1.00 0.74 H new ATOM 0 HB2 ASN A 75 -8.118 -7.508 7.321 1.00 0.85 H new ATOM 0 HB3 ASN A 75 -9.263 -6.870 6.158 1.00 0.85 H new ATOM 0 HD21 ASN A 75 -9.617 -10.715 7.611 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -8.150 -9.760 7.850 1.00 1.00 H new ATOM 1229 N ILE A 76 -5.805 -6.510 5.518 1.00 0.57 N ATOM 1230 CA ILE A 76 -4.961 -5.364 5.240 1.00 0.51 C ATOM 1231 C ILE A 76 -4.663 -5.268 3.740 1.00 0.40 C ATOM 1232 O ILE A 76 -4.187 -6.226 3.119 1.00 0.36 O ATOM 1233 CB ILE A 76 -3.652 -5.448 6.061 1.00 0.51 C ATOM 1234 CG1 ILE A 76 -2.854 -4.156 5.901 1.00 0.52 C ATOM 1235 CG2 ILE A 76 -2.815 -6.662 5.659 1.00 0.48 C ATOM 1236 CD1 ILE A 76 -1.653 -4.059 6.817 1.00 0.59 C ATOM 0 H ILE A 76 -5.427 -7.140 6.225 1.00 0.57 H new ATOM 0 HA ILE A 76 -5.491 -4.459 5.537 1.00 0.51 H new ATOM 0 HB ILE A 76 -3.914 -5.572 7.112 1.00 0.51 H new ATOM 0 HG12 ILE A 76 -2.518 -4.074 4.867 1.00 0.52 H new ATOM 0 HG13 ILE A 76 -3.512 -3.308 6.090 1.00 0.52 H new ATOM 0 HG21 ILE A 76 -1.903 -6.689 6.256 1.00 0.48 H new ATOM 0 HG22 ILE A 76 -3.389 -7.573 5.831 1.00 0.48 H new ATOM 0 HG23 ILE A 76 -2.555 -6.591 4.603 1.00 0.48 H new ATOM 0 HD11 ILE A 76 -1.139 -3.114 6.644 1.00 0.59 H new ATOM 0 HD12 ILE A 76 -1.982 -4.108 7.855 1.00 0.59 H new ATOM 0 HD13 ILE A 76 -0.972 -4.885 6.613 1.00 0.59 H new ATOM 1248 N ARG A 77 -4.974 -4.125 3.151 1.00 0.42 N ATOM 1249 CA ARG A 77 -4.830 -3.966 1.712 1.00 0.39 C ATOM 1250 C ARG A 77 -3.399 -3.577 1.367 1.00 0.37 C ATOM 1251 O ARG A 77 -3.008 -2.416 1.468 1.00 0.53 O ATOM 1252 CB ARG A 77 -5.790 -2.918 1.161 1.00 0.55 C ATOM 1253 CG ARG A 77 -7.210 -2.988 1.705 1.00 0.74 C ATOM 1254 CD ARG A 77 -7.886 -4.313 1.392 1.00 0.79 C ATOM 1255 NE ARG A 77 -9.345 -4.214 1.497 1.00 1.24 N ATOM 1256 CZ ARG A 77 -10.010 -3.958 2.626 1.00 1.51 C ATOM 1257 NH1 ARG A 77 -9.380 -3.936 3.792 1.00 1.94 N ATOM 1258 NH2 ARG A 77 -11.322 -3.763 2.588 1.00 1.93 N ATOM 0 H ARG A 77 -5.324 -3.301 3.640 1.00 0.42 H new ATOM 0 HA ARG A 77 -5.072 -4.924 1.251 1.00 0.39 H new ATOM 0 HB2 ARG A 77 -5.385 -1.929 1.375 1.00 0.55 H new ATOM 0 HB3 ARG A 77 -5.828 -3.019 0.076 1.00 0.55 H new ATOM 0 HG2 ARG A 77 -7.190 -2.839 2.785 1.00 0.74 H new ATOM 0 HG3 ARG A 77 -7.799 -2.174 1.282 1.00 0.74 H new ATOM 0 HD2 ARG A 77 -7.614 -4.632 0.386 1.00 0.79 H new ATOM 0 HD3 ARG A 77 -7.523 -5.078 2.078 1.00 0.79 H new ATOM 0 HE ARG A 77 -9.891 -4.351 0.646 1.00 1.24 H new ATOM 0 HH11 ARG A 77 -8.377 -4.116 3.833 1.00 1.94 H new ATOM 0 HH12 ARG A 77 -9.898 -3.739 4.648 1.00 1.94 H new ATOM 0 HH21 ARG A 77 -11.819 -3.809 1.698 1.00 1.93 H new ATOM 0 HH22 ARG A 77 -11.834 -3.567 3.448 1.00 1.93 H new ATOM 1272 N VAL A 78 -2.636 -4.567 0.962 1.00 0.33 N ATOM 1273 CA VAL A 78 -1.223 -4.399 0.661 1.00 0.38 C ATOM 1274 C VAL A 78 -1.004 -4.056 -0.807 1.00 0.38 C ATOM 1275 O VAL A 78 -1.211 -4.890 -1.682 1.00 0.53 O ATOM 1276 CB VAL A 78 -0.445 -5.690 0.992 1.00 0.43 C ATOM 1277 CG1 VAL A 78 -0.168 -5.780 2.484 1.00 0.95 C ATOM 1278 CG2 VAL A 78 -1.226 -6.912 0.529 1.00 0.88 C ATOM 0 H VAL A 78 -2.976 -5.520 0.830 1.00 0.33 H new ATOM 0 HA VAL A 78 -0.857 -3.576 1.275 1.00 0.38 H new ATOM 0 HB VAL A 78 0.508 -5.661 0.464 1.00 0.43 H new ATOM 0 HG11 VAL A 78 0.381 -6.697 2.697 1.00 0.95 H new ATOM 0 HG12 VAL A 78 0.425 -4.921 2.796 1.00 0.95 H new ATOM 0 HG13 VAL A 78 -1.112 -5.787 3.029 1.00 0.95 H new ATOM 0 HG21 VAL A 78 -0.665 -7.815 0.769 1.00 0.88 H new ATOM 0 HG22 VAL A 78 -2.191 -6.940 1.034 1.00 0.88 H new ATOM 0 HG23 VAL A 78 -1.382 -6.858 -0.548 1.00 0.88 H new ATOM 1288 N ILE A 79 -0.595 -2.831 -1.073 1.00 0.28 N ATOM 1289 CA ILE A 79 -0.267 -2.422 -2.426 1.00 0.29 C ATOM 1290 C ILE A 79 1.250 -2.413 -2.614 1.00 0.28 C ATOM 1291 O ILE A 79 2.006 -1.968 -1.745 1.00 0.27 O ATOM 1292 CB ILE A 79 -0.872 -1.039 -2.803 1.00 0.35 C ATOM 1293 CG1 ILE A 79 -2.345 -1.171 -3.210 1.00 0.55 C ATOM 1294 CG2 ILE A 79 -0.092 -0.397 -3.940 1.00 0.45 C ATOM 1295 CD1 ILE A 79 -3.216 -1.860 -2.189 1.00 0.59 C ATOM 0 H ILE A 79 -0.482 -2.101 -0.370 1.00 0.28 H new ATOM 0 HA ILE A 79 -0.716 -3.151 -3.101 1.00 0.29 H new ATOM 0 HB ILE A 79 -0.805 -0.405 -1.919 1.00 0.35 H new ATOM 0 HG12 ILE A 79 -2.747 -0.176 -3.400 1.00 0.55 H new ATOM 0 HG13 ILE A 79 -2.402 -1.722 -4.149 1.00 0.55 H new ATOM 0 HG21 ILE A 79 -0.534 0.569 -4.185 1.00 0.45 H new ATOM 0 HG22 ILE A 79 0.945 -0.254 -3.635 1.00 0.45 H new ATOM 0 HG23 ILE A 79 -0.126 -1.045 -4.816 1.00 0.45 H new ATOM 0 HD11 ILE A 79 -4.240 -1.910 -2.559 1.00 0.59 H new ATOM 0 HD12 ILE A 79 -2.844 -2.870 -2.015 1.00 0.59 H new ATOM 0 HD13 ILE A 79 -3.194 -1.299 -1.255 1.00 0.59 H new ATOM 1307 N ILE A 80 1.680 -2.914 -3.754 1.00 0.31 N ATOM 1308 CA ILE A 80 3.088 -3.066 -4.043 1.00 0.32 C ATOM 1309 C ILE A 80 3.573 -1.960 -4.972 1.00 0.37 C ATOM 1310 O ILE A 80 3.096 -1.814 -6.098 1.00 0.46 O ATOM 1311 CB ILE A 80 3.397 -4.469 -4.633 1.00 0.37 C ATOM 1312 CG1 ILE A 80 4.567 -4.421 -5.623 1.00 0.40 C ATOM 1313 CG2 ILE A 80 2.164 -5.069 -5.293 1.00 0.47 C ATOM 1314 CD1 ILE A 80 4.980 -5.784 -6.137 1.00 0.45 C ATOM 0 H ILE A 80 1.063 -3.226 -4.504 1.00 0.31 H new ATOM 0 HA ILE A 80 3.632 -2.980 -3.102 1.00 0.32 H new ATOM 0 HB ILE A 80 3.689 -5.111 -3.802 1.00 0.37 H new ATOM 0 HG12 ILE A 80 4.291 -3.791 -6.469 1.00 0.40 H new ATOM 0 HG13 ILE A 80 5.422 -3.949 -5.140 1.00 0.40 H new ATOM 0 HG21 ILE A 80 2.409 -6.051 -5.697 1.00 0.47 H new ATOM 0 HG22 ILE A 80 1.368 -5.169 -4.555 1.00 0.47 H new ATOM 0 HG23 ILE A 80 1.830 -4.417 -6.100 1.00 0.47 H new ATOM 0 HD11 ILE A 80 5.812 -5.674 -6.832 1.00 0.45 H new ATOM 0 HD12 ILE A 80 5.287 -6.411 -5.300 1.00 0.45 H new ATOM 0 HD13 ILE A 80 4.138 -6.250 -6.650 1.00 0.45 H new ATOM 1326 N MET A 81 4.516 -1.176 -4.476 1.00 0.35 N ATOM 1327 CA MET A 81 5.127 -0.114 -5.257 1.00 0.43 C ATOM 1328 C MET A 81 6.560 -0.506 -5.551 1.00 0.45 C ATOM 1329 O MET A 81 7.403 0.314 -5.910 1.00 0.57 O ATOM 1330 CB MET A 81 5.071 1.216 -4.497 1.00 0.48 C ATOM 1331 CG MET A 81 5.839 1.209 -3.185 1.00 0.47 C ATOM 1332 SD MET A 81 5.539 2.682 -2.193 1.00 0.99 S ATOM 1333 CE MET A 81 6.138 3.970 -3.286 1.00 1.36 C ATOM 0 H MET A 81 4.878 -1.257 -3.526 1.00 0.35 H new ATOM 0 HA MET A 81 4.582 0.022 -6.191 1.00 0.43 H new ATOM 0 HB2 MET A 81 5.469 2.005 -5.135 1.00 0.48 H new ATOM 0 HB3 MET A 81 4.029 1.464 -4.295 1.00 0.48 H new ATOM 0 HG2 MET A 81 5.559 0.326 -2.610 1.00 0.47 H new ATOM 0 HG3 MET A 81 6.906 1.128 -3.394 1.00 0.47 H new ATOM 0 HE1 MET A 81 6.234 4.903 -2.731 1.00 1.36 H new ATOM 0 HE2 MET A 81 7.111 3.684 -3.686 1.00 1.36 H new ATOM 0 HE3 MET A 81 5.434 4.107 -4.107 1.00 1.36 H new ATOM 1343 N THR A 82 6.804 -1.790 -5.384 1.00 0.39 N ATOM 1344 CA THR A 82 8.115 -2.360 -5.560 1.00 0.42 C ATOM 1345 C THR A 82 8.161 -3.194 -6.843 1.00 0.48 C ATOM 1346 O THR A 82 7.379 -2.953 -7.766 1.00 0.52 O ATOM 1347 CB THR A 82 8.482 -3.208 -4.328 1.00 0.40 C ATOM 1348 OG1 THR A 82 9.866 -3.514 -4.361 1.00 0.43 O ATOM 1349 CG2 THR A 82 7.668 -4.491 -4.237 1.00 0.44 C ATOM 0 H THR A 82 6.089 -2.468 -5.120 1.00 0.39 H new ATOM 0 HA THR A 82 8.849 -1.560 -5.656 1.00 0.42 H new ATOM 0 HB THR A 82 8.246 -2.618 -3.442 1.00 0.40 H new ATOM 0 HG1 THR A 82 9.992 -4.474 -4.212 1.00 0.43 H new ATOM 0 HG21 THR A 82 7.968 -5.050 -3.350 1.00 0.44 H new ATOM 0 HG22 THR A 82 6.608 -4.245 -4.170 1.00 0.44 H new ATOM 0 HG23 THR A 82 7.845 -5.098 -5.125 1.00 0.44 H new ATOM 1357 N ALA A 83 9.067 -4.170 -6.902 1.00 0.54 N ATOM 1358 CA ALA A 83 9.236 -4.984 -8.091 1.00 0.64 C ATOM 1359 C ALA A 83 7.945 -5.726 -8.410 1.00 0.69 C ATOM 1360 O ALA A 83 7.617 -6.721 -7.784 1.00 0.74 O ATOM 1361 CB ALA A 83 10.389 -5.958 -7.903 1.00 0.77 C ATOM 0 H ALA A 83 9.694 -4.411 -6.134 1.00 0.54 H new ATOM 0 HA ALA A 83 9.473 -4.334 -8.933 1.00 0.64 H new ATOM 0 HB1 ALA A 83 10.505 -6.563 -8.802 1.00 0.77 H new ATOM 0 HB2 ALA A 83 11.308 -5.402 -7.718 1.00 0.77 H new ATOM 0 HB3 ALA A 83 10.181 -6.608 -7.053 1.00 0.77 H new ATOM 1367 N TYR A 84 7.199 -5.210 -9.369 1.00 0.75 N ATOM 1368 CA TYR A 84 5.913 -5.787 -9.735 1.00 0.93 C ATOM 1369 C TYR A 84 6.077 -7.134 -10.425 1.00 1.04 C ATOM 1370 O TYR A 84 5.112 -7.878 -10.576 1.00 1.38 O ATOM 1371 CB TYR A 84 5.143 -4.799 -10.615 1.00 1.14 C ATOM 1372 CG TYR A 84 5.693 -4.665 -12.021 1.00 1.02 C ATOM 1373 CD1 TYR A 84 6.880 -3.986 -12.266 1.00 1.17 C ATOM 1374 CD2 TYR A 84 5.020 -5.214 -13.103 1.00 1.23 C ATOM 1375 CE1 TYR A 84 7.375 -3.858 -13.549 1.00 1.68 C ATOM 1376 CE2 TYR A 84 5.509 -5.092 -14.387 1.00 1.55 C ATOM 1377 CZ TYR A 84 6.717 -4.422 -14.594 1.00 1.84 C ATOM 1378 OH TYR A 84 7.173 -4.289 -15.885 1.00 2.42 O ATOM 0 H TYR A 84 7.461 -4.388 -9.913 1.00 0.75 H new ATOM 0 HA TYR A 84 5.342 -5.971 -8.825 1.00 0.93 H new ATOM 0 HB2 TYR A 84 4.101 -5.115 -10.672 1.00 1.14 H new ATOM 0 HB3 TYR A 84 5.153 -3.819 -10.137 1.00 1.14 H new ATOM 0 HD1 TYR A 84 7.424 -3.552 -11.440 1.00 1.17 H new ATOM 0 HD2 TYR A 84 4.096 -5.747 -12.937 1.00 1.23 H new ATOM 0 HE1 TYR A 84 8.288 -3.308 -13.721 1.00 1.68 H new ATOM 0 HE2 TYR A 84 4.965 -5.509 -15.221 1.00 1.55 H new ATOM 0 HH TYR A 84 6.570 -4.763 -16.495 1.00 2.42 H new ATOM 1388 N GLY A 85 7.297 -7.456 -10.818 1.00 1.18 N ATOM 1389 CA GLY A 85 7.581 -8.784 -11.316 1.00 1.31 C ATOM 1390 C GLY A 85 7.703 -9.777 -10.177 1.00 1.26 C ATOM 1391 O GLY A 85 7.989 -10.955 -10.390 1.00 1.37 O ATOM 0 H GLY A 85 8.096 -6.822 -10.801 1.00 1.18 H new ATOM 0 HA2 GLY A 85 6.788 -9.099 -11.994 1.00 1.31 H new ATOM 0 HA3 GLY A 85 8.506 -8.770 -11.892 1.00 1.31 H new ATOM 1395 N GLU A 86 7.470 -9.295 -8.960 1.00 1.14 N ATOM 1396 CA GLU A 86 7.580 -10.118 -7.771 1.00 1.12 C ATOM 1397 C GLU A 86 6.241 -10.735 -7.432 1.00 1.14 C ATOM 1398 O GLU A 86 6.115 -11.477 -6.471 1.00 1.13 O ATOM 1399 CB GLU A 86 8.094 -9.298 -6.594 1.00 1.04 C ATOM 1400 CG GLU A 86 9.275 -9.940 -5.896 1.00 1.04 C ATOM 1401 CD GLU A 86 10.415 -10.232 -6.851 1.00 1.60 C ATOM 1402 OE1 GLU A 86 11.190 -9.308 -7.166 1.00 1.64 O ATOM 1403 OE2 GLU A 86 10.539 -11.386 -7.301 1.00 2.16 O ATOM 0 H GLU A 86 7.202 -8.328 -8.776 1.00 1.14 H new ATOM 0 HA GLU A 86 8.294 -10.917 -7.973 1.00 1.12 H new ATOM 0 HB2 GLU A 86 8.382 -8.308 -6.947 1.00 1.04 H new ATOM 0 HB3 GLU A 86 7.286 -9.158 -5.875 1.00 1.04 H new ATOM 0 HG2 GLU A 86 9.628 -9.281 -5.102 1.00 1.04 H new ATOM 0 HG3 GLU A 86 8.954 -10.867 -5.421 1.00 1.04 H new ATOM 1410 N LEU A 87 5.234 -10.421 -8.230 1.00 1.19 N ATOM 1411 CA LEU A 87 3.961 -11.140 -8.146 1.00 1.27 C ATOM 1412 C LEU A 87 4.195 -12.611 -8.465 1.00 1.27 C ATOM 1413 O LEU A 87 3.370 -13.471 -8.184 1.00 1.30 O ATOM 1414 CB LEU A 87 2.901 -10.529 -9.084 1.00 1.38 C ATOM 1415 CG LEU A 87 3.326 -10.284 -10.543 1.00 1.41 C ATOM 1416 CD1 LEU A 87 3.487 -11.583 -11.314 1.00 1.84 C ATOM 1417 CD2 LEU A 87 2.319 -9.385 -11.238 1.00 1.96 C ATOM 0 H LEU A 87 5.265 -9.685 -8.936 1.00 1.19 H new ATOM 0 HA LEU A 87 3.572 -11.049 -7.132 1.00 1.27 H new ATOM 0 HB2 LEU A 87 2.032 -11.187 -9.089 1.00 1.38 H new ATOM 0 HB3 LEU A 87 2.579 -9.578 -8.659 1.00 1.38 H new ATOM 0 HG LEU A 87 4.298 -9.792 -10.523 1.00 1.41 H new ATOM 0 HD11 LEU A 87 3.788 -11.363 -12.338 1.00 1.84 H new ATOM 0 HD12 LEU A 87 4.250 -12.198 -10.836 1.00 1.84 H new ATOM 0 HD13 LEU A 87 2.539 -12.121 -11.322 1.00 1.84 H new ATOM 0 HD21 LEU A 87 2.630 -9.219 -12.269 1.00 1.96 H new ATOM 0 HD22 LEU A 87 1.338 -9.861 -11.227 1.00 1.96 H new ATOM 0 HD23 LEU A 87 2.264 -8.429 -10.717 1.00 1.96 H new ATOM 1429 N ASP A 88 5.342 -12.883 -9.058 1.00 1.29 N ATOM 1430 CA ASP A 88 5.760 -14.248 -9.319 1.00 1.35 C ATOM 1431 C ASP A 88 6.271 -14.896 -8.029 1.00 1.29 C ATOM 1432 O ASP A 88 5.755 -15.919 -7.590 1.00 1.39 O ATOM 1433 CB ASP A 88 6.854 -14.258 -10.389 1.00 1.38 C ATOM 1434 CG ASP A 88 7.209 -15.653 -10.865 1.00 1.49 C ATOM 1435 OD1 ASP A 88 7.871 -16.398 -10.113 1.00 1.54 O ATOM 1436 OD2 ASP A 88 6.858 -15.997 -12.014 1.00 1.59 O ATOM 0 H ASP A 88 6.004 -12.173 -9.370 1.00 1.29 H new ATOM 0 HA ASP A 88 4.907 -14.821 -9.681 1.00 1.35 H new ATOM 0 HB2 ASP A 88 6.526 -13.663 -11.241 1.00 1.38 H new ATOM 0 HB3 ASP A 88 7.748 -13.778 -9.990 1.00 1.38 H new ATOM 1441 N MET A 89 7.272 -14.271 -7.413 1.00 1.17 N ATOM 1442 CA MET A 89 7.912 -14.822 -6.218 1.00 1.16 C ATOM 1443 C MET A 89 7.170 -14.457 -4.932 1.00 1.14 C ATOM 1444 O MET A 89 6.750 -15.335 -4.184 1.00 1.25 O ATOM 1445 CB MET A 89 9.352 -14.306 -6.141 1.00 1.11 C ATOM 1446 CG MET A 89 10.068 -14.625 -4.838 1.00 1.13 C ATOM 1447 SD MET A 89 11.728 -13.920 -4.768 1.00 1.46 S ATOM 1448 CE MET A 89 12.483 -14.656 -6.218 1.00 2.17 C ATOM 0 H MET A 89 7.659 -13.379 -7.722 1.00 1.17 H new ATOM 0 HA MET A 89 7.892 -15.908 -6.303 1.00 1.16 H new ATOM 0 HB2 MET A 89 9.922 -14.731 -6.967 1.00 1.11 H new ATOM 0 HB3 MET A 89 9.345 -13.225 -6.282 1.00 1.11 H new ATOM 0 HG2 MET A 89 9.480 -14.245 -4.002 1.00 1.13 H new ATOM 0 HG3 MET A 89 10.131 -15.706 -4.718 1.00 1.13 H new ATOM 0 HE1 MET A 89 13.535 -14.858 -6.017 1.00 2.17 H new ATOM 0 HE2 MET A 89 11.974 -15.589 -6.459 1.00 2.17 H new ATOM 0 HE3 MET A 89 12.400 -13.969 -7.060 1.00 2.17 H new ATOM 1458 N ALA A 90 6.974 -13.167 -4.704 1.00 1.06 N ATOM 1459 CA ALA A 90 6.451 -12.669 -3.435 1.00 1.05 C ATOM 1460 C ALA A 90 5.022 -13.126 -3.193 1.00 1.12 C ATOM 1461 O ALA A 90 4.656 -13.481 -2.070 1.00 1.17 O ATOM 1462 CB ALA A 90 6.527 -11.150 -3.398 1.00 0.99 C ATOM 0 H ALA A 90 7.171 -12.437 -5.388 1.00 1.06 H new ATOM 0 HA ALA A 90 7.069 -13.083 -2.639 1.00 1.05 H new ATOM 0 HB1 ALA A 90 6.134 -10.789 -2.447 1.00 0.99 H new ATOM 0 HB2 ALA A 90 7.565 -10.835 -3.505 1.00 0.99 H new ATOM 0 HB3 ALA A 90 5.936 -10.736 -4.215 1.00 0.99 H new ATOM 1468 N GLN A 91 4.220 -13.120 -4.247 1.00 1.19 N ATOM 1469 CA GLN A 91 2.817 -13.497 -4.137 1.00 1.31 C ATOM 1470 C GLN A 91 2.671 -14.967 -3.741 1.00 1.46 C ATOM 1471 O GLN A 91 2.056 -15.283 -2.718 1.00 1.51 O ATOM 1472 CB GLN A 91 2.077 -13.185 -5.449 1.00 1.40 C ATOM 1473 CG GLN A 91 1.079 -14.252 -5.875 1.00 1.68 C ATOM 1474 CD GLN A 91 0.267 -13.845 -7.089 1.00 1.84 C ATOM 1475 OE1 GLN A 91 0.644 -14.121 -8.228 1.00 2.24 O ATOM 1476 NE2 GLN A 91 -0.853 -13.182 -6.854 1.00 2.42 N ATOM 0 H GLN A 91 4.515 -12.859 -5.188 1.00 1.19 H new ATOM 0 HA GLN A 91 2.359 -12.905 -3.344 1.00 1.31 H new ATOM 0 HB2 GLN A 91 1.552 -12.236 -5.339 1.00 1.40 H new ATOM 0 HB3 GLN A 91 2.811 -13.053 -6.244 1.00 1.40 H new ATOM 0 HG2 GLN A 91 1.614 -15.176 -6.094 1.00 1.68 H new ATOM 0 HG3 GLN A 91 0.404 -14.463 -5.046 1.00 1.68 H new ATOM 0 HE21 GLN A 91 -1.130 -12.973 -5.895 1.00 2.42 H new ATOM 0 HE22 GLN A 91 -1.440 -12.880 -7.632 1.00 2.42 H new ATOM 1485 N GLU A 92 3.268 -15.852 -4.529 1.00 1.57 N ATOM 1486 CA GLU A 92 3.150 -17.289 -4.307 1.00 1.80 C ATOM 1487 C GLU A 92 3.951 -17.744 -3.087 1.00 1.83 C ATOM 1488 O GLU A 92 3.684 -18.807 -2.524 1.00 2.04 O ATOM 1489 CB GLU A 92 3.617 -18.041 -5.549 1.00 1.91 C ATOM 1490 CG GLU A 92 2.927 -17.582 -6.822 1.00 1.96 C ATOM 1491 CD GLU A 92 3.249 -18.460 -8.015 1.00 2.13 C ATOM 1492 OE1 GLU A 92 4.439 -18.535 -8.390 1.00 2.12 O ATOM 1493 OE2 GLU A 92 2.324 -19.072 -8.592 1.00 2.44 O ATOM 0 H GLU A 92 3.843 -15.598 -5.333 1.00 1.57 H new ATOM 0 HA GLU A 92 2.101 -17.513 -4.113 1.00 1.80 H new ATOM 0 HB2 GLU A 92 4.694 -17.912 -5.660 1.00 1.91 H new ATOM 0 HB3 GLU A 92 3.436 -19.107 -5.410 1.00 1.91 H new ATOM 0 HG2 GLU A 92 1.849 -17.575 -6.663 1.00 1.96 H new ATOM 0 HG3 GLU A 92 3.224 -16.556 -7.041 1.00 1.96 H new ATOM 1500 N SER A 93 4.923 -16.934 -2.680 1.00 1.66 N ATOM 1501 CA SER A 93 5.784 -17.254 -1.543 1.00 1.77 C ATOM 1502 C SER A 93 4.982 -17.435 -0.249 1.00 1.87 C ATOM 1503 O SER A 93 5.394 -18.170 0.647 1.00 2.13 O ATOM 1504 CB SER A 93 6.833 -16.152 -1.360 1.00 1.65 C ATOM 1505 OG SER A 93 7.724 -16.438 -0.297 1.00 1.98 O ATOM 0 H SER A 93 5.137 -16.042 -3.125 1.00 1.66 H new ATOM 0 HA SER A 93 6.278 -18.202 -1.757 1.00 1.77 H new ATOM 0 HB2 SER A 93 7.398 -16.033 -2.284 1.00 1.65 H new ATOM 0 HB3 SER A 93 6.332 -15.203 -1.168 1.00 1.65 H new ATOM 0 HG SER A 93 8.642 -16.239 -0.577 1.00 1.98 H new ATOM 1511 N LYS A 94 3.839 -16.774 -0.144 1.00 1.73 N ATOM 1512 CA LYS A 94 3.033 -16.890 1.059 1.00 1.84 C ATOM 1513 C LYS A 94 1.587 -17.220 0.720 1.00 1.75 C ATOM 1514 O LYS A 94 1.184 -18.380 0.748 1.00 2.05 O ATOM 1515 CB LYS A 94 3.114 -15.613 1.895 1.00 1.74 C ATOM 1516 CG LYS A 94 2.494 -15.758 3.277 1.00 2.03 C ATOM 1517 CD LYS A 94 3.136 -16.876 4.073 1.00 2.19 C ATOM 1518 CE LYS A 94 4.568 -16.532 4.386 1.00 2.42 C ATOM 1519 NZ LYS A 94 5.251 -17.607 5.147 1.00 2.66 N ATOM 0 H LYS A 94 3.455 -16.162 -0.864 1.00 1.73 H new ATOM 0 HA LYS A 94 3.436 -17.711 1.652 1.00 1.84 H new ATOM 0 HB2 LYS A 94 4.159 -15.323 2.002 1.00 1.74 H new ATOM 0 HB3 LYS A 94 2.612 -14.806 1.362 1.00 1.74 H new ATOM 0 HG2 LYS A 94 2.598 -14.819 3.821 1.00 2.03 H new ATOM 0 HG3 LYS A 94 1.426 -15.951 3.177 1.00 2.03 H new ATOM 0 HD2 LYS A 94 2.582 -17.039 4.998 1.00 2.19 H new ATOM 0 HD3 LYS A 94 3.093 -17.807 3.508 1.00 2.19 H new ATOM 0 HE2 LYS A 94 5.107 -16.349 3.456 1.00 2.42 H new ATOM 0 HE3 LYS A 94 4.600 -15.606 4.961 1.00 2.42 H new ATOM 0 HZ1 LYS A 94 6.234 -17.326 5.339 1.00 2.66 H new ATOM 0 HZ2 LYS A 94 4.754 -17.765 6.047 1.00 2.66 H new ATOM 0 HZ3 LYS A 94 5.245 -18.485 4.589 1.00 2.66 H new ATOM 1533 N GLU A 95 0.819 -16.202 0.389 1.00 1.51 N ATOM 1534 CA GLU A 95 -0.591 -16.381 0.084 1.00 1.57 C ATOM 1535 C GLU A 95 -1.033 -15.370 -0.964 1.00 1.40 C ATOM 1536 O GLU A 95 -1.176 -15.696 -2.139 1.00 1.80 O ATOM 1537 CB GLU A 95 -1.427 -16.228 1.363 1.00 1.57 C ATOM 1538 CG GLU A 95 -2.932 -16.337 1.151 1.00 1.70 C ATOM 1539 CD GLU A 95 -3.379 -17.720 0.718 1.00 2.39 C ATOM 1540 OE1 GLU A 95 -3.557 -18.592 1.594 1.00 2.68 O ATOM 1541 OE2 GLU A 95 -3.570 -17.937 -0.497 1.00 3.16 O ATOM 0 H GLU A 95 1.146 -15.238 0.323 1.00 1.51 H new ATOM 0 HA GLU A 95 -0.744 -17.383 -0.316 1.00 1.57 H new ATOM 0 HB2 GLU A 95 -1.117 -16.991 2.078 1.00 1.57 H new ATOM 0 HB3 GLU A 95 -1.205 -15.260 1.813 1.00 1.57 H new ATOM 0 HG2 GLU A 95 -3.442 -16.071 2.077 1.00 1.70 H new ATOM 0 HG3 GLU A 95 -3.239 -15.611 0.398 1.00 1.70 H new ATOM 1548 N LEU A 96 -1.222 -14.136 -0.528 1.00 1.13 N ATOM 1549 CA LEU A 96 -1.676 -13.081 -1.396 1.00 1.44 C ATOM 1550 C LEU A 96 -0.506 -12.409 -2.093 1.00 1.40 C ATOM 1551 O LEU A 96 -0.618 -11.946 -3.225 1.00 1.87 O ATOM 1552 CB LEU A 96 -2.409 -12.061 -0.544 1.00 1.74 C ATOM 1553 CG LEU A 96 -3.723 -12.539 0.081 1.00 2.31 C ATOM 1554 CD1 LEU A 96 -4.321 -11.456 0.968 1.00 2.48 C ATOM 1555 CD2 LEU A 96 -4.712 -12.947 -1.000 1.00 3.10 C ATOM 0 H LEU A 96 -1.063 -13.845 0.437 1.00 1.13 H new ATOM 0 HA LEU A 96 -2.331 -13.496 -2.162 1.00 1.44 H new ATOM 0 HB2 LEU A 96 -1.744 -11.738 0.257 1.00 1.74 H new ATOM 0 HB3 LEU A 96 -2.618 -11.185 -1.158 1.00 1.74 H new ATOM 0 HG LEU A 96 -3.509 -13.411 0.700 1.00 2.31 H new ATOM 0 HD11 LEU A 96 -5.254 -11.815 1.402 1.00 2.48 H new ATOM 0 HD12 LEU A 96 -3.620 -11.211 1.766 1.00 2.48 H new ATOM 0 HD13 LEU A 96 -4.518 -10.565 0.372 1.00 2.48 H new ATOM 0 HD21 LEU A 96 -5.639 -13.284 -0.536 1.00 3.10 H new ATOM 0 HD22 LEU A 96 -4.918 -12.093 -1.646 1.00 3.10 H new ATOM 0 HD23 LEU A 96 -4.288 -13.757 -1.594 1.00 3.10 H new ATOM 1567 N GLY A 97 0.622 -12.371 -1.399 1.00 1.08 N ATOM 1568 CA GLY A 97 1.746 -11.564 -1.841 1.00 1.10 C ATOM 1569 C GLY A 97 1.457 -10.087 -1.681 1.00 1.06 C ATOM 1570 O GLY A 97 1.884 -9.467 -0.719 1.00 1.72 O ATOM 0 H GLY A 97 0.781 -12.886 -0.533 1.00 1.08 H new ATOM 0 HA2 GLY A 97 2.634 -11.828 -1.267 1.00 1.10 H new ATOM 0 HA3 GLY A 97 1.965 -11.783 -2.886 1.00 1.10 H new ATOM 1574 N ALA A 98 0.655 -9.560 -2.574 1.00 0.73 N ATOM 1575 CA ALA A 98 0.328 -8.138 -2.608 1.00 0.65 C ATOM 1576 C ALA A 98 -0.707 -7.869 -3.703 1.00 0.67 C ATOM 1577 O ALA A 98 -0.848 -8.665 -4.630 1.00 0.82 O ATOM 1578 CB ALA A 98 1.585 -7.309 -2.828 1.00 0.85 C ATOM 0 H ALA A 98 0.202 -10.104 -3.309 1.00 0.73 H new ATOM 0 HA ALA A 98 -0.101 -7.847 -1.649 1.00 0.65 H new ATOM 0 HB1 ALA A 98 1.324 -6.251 -2.851 1.00 0.85 H new ATOM 0 HB2 ALA A 98 2.288 -7.492 -2.015 1.00 0.85 H new ATOM 0 HB3 ALA A 98 2.045 -7.590 -3.776 1.00 0.85 H new ATOM 1584 N LEU A 99 -1.435 -6.764 -3.581 1.00 0.60 N ATOM 1585 CA LEU A 99 -2.524 -6.443 -4.503 1.00 0.66 C ATOM 1586 C LEU A 99 -2.029 -5.651 -5.719 1.00 0.69 C ATOM 1587 O LEU A 99 -1.209 -6.136 -6.507 1.00 1.35 O ATOM 1588 CB LEU A 99 -3.608 -5.641 -3.772 1.00 0.68 C ATOM 1589 CG LEU A 99 -4.241 -6.330 -2.561 1.00 0.86 C ATOM 1590 CD1 LEU A 99 -5.171 -5.368 -1.836 1.00 1.34 C ATOM 1591 CD2 LEU A 99 -4.991 -7.583 -2.988 1.00 1.05 C ATOM 0 H LEU A 99 -1.291 -6.070 -2.848 1.00 0.60 H new ATOM 0 HA LEU A 99 -2.938 -7.385 -4.863 1.00 0.66 H new ATOM 0 HB2 LEU A 99 -3.175 -4.696 -3.444 1.00 0.68 H new ATOM 0 HB3 LEU A 99 -4.398 -5.400 -4.484 1.00 0.68 H new ATOM 0 HG LEU A 99 -3.447 -6.628 -1.876 1.00 0.86 H new ATOM 0 HD11 LEU A 99 -5.615 -5.870 -0.976 1.00 1.34 H new ATOM 0 HD12 LEU A 99 -4.605 -4.500 -1.497 1.00 1.34 H new ATOM 0 HD13 LEU A 99 -5.960 -5.044 -2.515 1.00 1.34 H new ATOM 0 HD21 LEU A 99 -5.434 -8.058 -2.113 1.00 1.05 H new ATOM 0 HD22 LEU A 99 -5.779 -7.314 -3.692 1.00 1.05 H new ATOM 0 HD23 LEU A 99 -4.299 -8.276 -3.466 1.00 1.05 H new ATOM 1603 N THR A 100 -2.542 -4.429 -5.863 1.00 0.95 N ATOM 1604 CA THR A 100 -2.181 -3.554 -6.967 1.00 1.06 C ATOM 1605 C THR A 100 -0.683 -3.268 -6.954 1.00 0.67 C ATOM 1606 O THR A 100 -0.102 -3.008 -5.901 1.00 0.60 O ATOM 1607 CB THR A 100 -2.966 -2.232 -6.883 1.00 1.56 C ATOM 1608 OG1 THR A 100 -4.353 -2.520 -6.661 1.00 2.07 O ATOM 1609 CG2 THR A 100 -2.815 -1.417 -8.161 1.00 2.16 C ATOM 0 H THR A 100 -3.218 -4.023 -5.216 1.00 0.95 H new ATOM 0 HA THR A 100 -2.435 -4.058 -7.899 1.00 1.06 H new ATOM 0 HB THR A 100 -2.565 -1.645 -6.056 1.00 1.56 H new ATOM 0 HG1 THR A 100 -4.856 -1.681 -6.605 1.00 2.07 H new ATOM 0 HG21 THR A 100 -3.381 -0.490 -8.070 1.00 2.16 H new ATOM 0 HG22 THR A 100 -1.762 -1.185 -8.323 1.00 2.16 H new ATOM 0 HG23 THR A 100 -3.194 -1.992 -9.006 1.00 2.16 H new ATOM 1617 N HIS A 101 -0.062 -3.324 -8.124 1.00 0.68 N ATOM 1618 CA HIS A 101 1.388 -3.223 -8.218 1.00 0.87 C ATOM 1619 C HIS A 101 1.832 -2.209 -9.255 1.00 0.71 C ATOM 1620 O HIS A 101 1.055 -1.809 -10.122 1.00 1.08 O ATOM 1621 CB HIS A 101 2.007 -4.585 -8.531 1.00 1.65 C ATOM 1622 CG HIS A 101 1.251 -5.387 -9.551 1.00 2.50 C ATOM 1623 ND1 HIS A 101 0.184 -6.197 -9.219 1.00 3.21 N ATOM 1624 CD2 HIS A 101 1.405 -5.504 -10.892 1.00 3.16 C ATOM 1625 CE1 HIS A 101 -0.281 -6.776 -10.309 1.00 3.89 C ATOM 1626 NE2 HIS A 101 0.440 -6.374 -11.338 1.00 3.83 N ATOM 0 H HIS A 101 -0.538 -3.438 -9.019 1.00 0.68 H new ATOM 0 HA HIS A 101 1.740 -2.878 -7.245 1.00 0.87 H new ATOM 0 HB2 HIS A 101 3.026 -4.435 -8.887 1.00 1.65 H new ATOM 0 HB3 HIS A 101 2.073 -5.162 -7.608 1.00 1.65 H new ATOM 0 HD1 HIS A 101 -0.187 -6.327 -8.278 1.00 3.21 H new ATOM 0 HD2 HIS A 101 2.148 -5.006 -11.497 1.00 3.16 H new ATOM 0 HE1 HIS A 101 -1.113 -7.464 -10.352 1.00 3.89 H new ATOM 1635 N PHE A 102 3.095 -1.807 -9.135 1.00 0.78 N ATOM 1636 CA PHE A 102 3.723 -0.845 -10.038 1.00 0.90 C ATOM 1637 C PHE A 102 5.154 -0.556 -9.584 1.00 0.85 C ATOM 1638 O PHE A 102 5.389 -0.253 -8.420 1.00 0.97 O ATOM 1639 CB PHE A 102 2.919 0.470 -10.118 1.00 1.33 C ATOM 1640 CG PHE A 102 2.711 1.171 -8.796 1.00 1.91 C ATOM 1641 CD1 PHE A 102 1.679 0.794 -7.952 1.00 2.71 C ATOM 1642 CD2 PHE A 102 3.553 2.198 -8.398 1.00 2.47 C ATOM 1643 CE1 PHE A 102 1.490 1.431 -6.739 1.00 3.59 C ATOM 1644 CE2 PHE A 102 3.370 2.834 -7.187 1.00 3.31 C ATOM 1645 CZ PHE A 102 2.320 2.470 -6.371 1.00 3.75 C ATOM 0 H PHE A 102 3.718 -2.143 -8.401 1.00 0.78 H new ATOM 0 HA PHE A 102 3.740 -1.287 -11.034 1.00 0.90 H new ATOM 0 HB2 PHE A 102 3.432 1.151 -10.797 1.00 1.33 H new ATOM 0 HB3 PHE A 102 1.944 0.257 -10.557 1.00 1.33 H new ATOM 0 HD1 PHE A 102 1.015 -0.006 -8.244 1.00 2.71 H new ATOM 0 HD2 PHE A 102 4.363 2.504 -9.044 1.00 2.47 H new ATOM 0 HE1 PHE A 102 0.694 1.116 -6.081 1.00 3.59 H new ATOM 0 HE2 PHE A 102 4.048 3.616 -6.879 1.00 3.31 H new ATOM 0 HZ PHE A 102 2.147 2.998 -5.445 1.00 3.75 H new ATOM 1655 N ALA A 103 6.107 -0.688 -10.500 1.00 0.85 N ATOM 1656 CA ALA A 103 7.496 -0.335 -10.227 1.00 0.92 C ATOM 1657 C ALA A 103 7.918 0.828 -11.117 1.00 1.01 C ATOM 1658 O ALA A 103 9.105 1.103 -11.302 1.00 1.27 O ATOM 1659 CB ALA A 103 8.384 -1.538 -10.473 1.00 1.00 C ATOM 0 H ALA A 103 5.942 -1.039 -11.443 1.00 0.85 H new ATOM 0 HA ALA A 103 7.596 -0.031 -9.185 1.00 0.92 H new ATOM 0 HB1 ALA A 103 9.421 -1.272 -10.269 1.00 1.00 H new ATOM 0 HB2 ALA A 103 8.082 -2.354 -9.816 1.00 1.00 H new ATOM 0 HB3 ALA A 103 8.288 -1.854 -11.512 1.00 1.00 H new ATOM 1733 N ILE A 108 2.248 11.169 -7.382 1.00 1.00 N ATOM 1734 CA ILE A 108 1.217 11.151 -6.344 1.00 0.93 C ATOM 1735 C ILE A 108 -0.201 11.178 -6.929 1.00 0.89 C ATOM 1736 O ILE A 108 -1.100 10.519 -6.404 1.00 0.79 O ATOM 1737 CB ILE A 108 1.377 12.310 -5.318 1.00 1.00 C ATOM 1738 CG1 ILE A 108 1.092 13.691 -5.939 1.00 0.97 C ATOM 1739 CG2 ILE A 108 2.769 12.284 -4.702 1.00 1.25 C ATOM 1740 CD1 ILE A 108 2.142 14.176 -6.919 1.00 1.29 C ATOM 0 HA ILE A 108 1.359 10.207 -5.818 1.00 0.93 H new ATOM 0 HB ILE A 108 0.633 12.150 -4.537 1.00 1.00 H new ATOM 0 HG12 ILE A 108 0.129 13.653 -6.449 1.00 0.97 H new ATOM 0 HG13 ILE A 108 0.999 14.423 -5.136 1.00 0.97 H new ATOM 0 HG21 ILE A 108 2.866 13.101 -3.987 1.00 1.25 H new ATOM 0 HG22 ILE A 108 2.923 11.334 -4.191 1.00 1.25 H new ATOM 0 HG23 ILE A 108 3.516 12.399 -5.487 1.00 1.25 H new ATOM 0 HD11 ILE A 108 1.856 15.155 -7.304 1.00 1.29 H new ATOM 0 HD12 ILE A 108 3.104 14.252 -6.413 1.00 1.29 H new ATOM 0 HD13 ILE A 108 2.221 13.470 -7.746 1.00 1.29 H new ATOM 1752 N ASP A 109 -0.396 11.903 -8.031 1.00 1.01 N ATOM 1753 CA ASP A 109 -1.713 12.037 -8.642 1.00 1.07 C ATOM 1754 C ASP A 109 -2.260 10.681 -9.061 1.00 1.02 C ATOM 1755 O ASP A 109 -3.431 10.371 -8.839 1.00 1.00 O ATOM 1756 CB ASP A 109 -1.627 12.938 -9.860 1.00 1.27 C ATOM 1757 CG ASP A 109 -2.997 13.352 -10.360 1.00 1.57 C ATOM 1758 OD1 ASP A 109 -3.558 14.331 -9.824 1.00 1.84 O ATOM 1759 OD2 ASP A 109 -3.525 12.701 -11.289 1.00 1.92 O ATOM 0 H ASP A 109 0.346 12.407 -8.518 1.00 1.01 H new ATOM 0 HA ASP A 109 -2.386 12.474 -7.904 1.00 1.07 H new ATOM 0 HB2 ASP A 109 -1.048 13.828 -9.612 1.00 1.27 H new ATOM 0 HB3 ASP A 109 -1.092 12.421 -10.656 1.00 1.27 H new ATOM 1764 N GLU A 110 -1.394 9.878 -9.663 1.00 1.04 N ATOM 1765 CA GLU A 110 -1.751 8.527 -10.078 1.00 1.04 C ATOM 1766 C GLU A 110 -2.139 7.694 -8.857 1.00 0.93 C ATOM 1767 O GLU A 110 -3.006 6.824 -8.941 1.00 0.95 O ATOM 1768 CB GLU A 110 -0.579 7.888 -10.834 1.00 1.14 C ATOM 1769 CG GLU A 110 -0.944 6.683 -11.695 1.00 1.12 C ATOM 1770 CD GLU A 110 -0.740 5.354 -10.995 1.00 1.57 C ATOM 1771 OE1 GLU A 110 0.418 5.016 -10.676 1.00 2.07 O ATOM 1772 OE2 GLU A 110 -1.731 4.618 -10.801 1.00 2.06 O ATOM 0 H GLU A 110 -0.432 10.141 -9.877 1.00 1.04 H new ATOM 0 HA GLU A 110 -2.609 8.567 -10.749 1.00 1.04 H new ATOM 0 HB2 GLU A 110 -0.122 8.645 -11.471 1.00 1.14 H new ATOM 0 HB3 GLU A 110 0.176 7.582 -10.110 1.00 1.14 H new ATOM 0 HG2 GLU A 110 -1.987 6.767 -12.000 1.00 1.12 H new ATOM 0 HG3 GLU A 110 -0.343 6.701 -12.604 1.00 1.12 H new ATOM 1779 N ILE A 111 -1.530 8.007 -7.712 1.00 0.83 N ATOM 1780 CA ILE A 111 -1.833 7.322 -6.471 1.00 0.75 C ATOM 1781 C ILE A 111 -3.222 7.715 -5.994 1.00 0.70 C ATOM 1782 O ILE A 111 -4.030 6.856 -5.645 1.00 0.71 O ATOM 1783 CB ILE A 111 -0.789 7.667 -5.392 1.00 0.76 C ATOM 1784 CG1 ILE A 111 0.590 7.136 -5.793 1.00 1.24 C ATOM 1785 CG2 ILE A 111 -1.209 7.111 -4.038 1.00 0.75 C ATOM 1786 CD1 ILE A 111 0.629 5.637 -6.001 1.00 1.61 C ATOM 0 H ILE A 111 -0.821 8.736 -7.627 1.00 0.83 H new ATOM 0 HA ILE A 111 -1.803 6.247 -6.649 1.00 0.75 H new ATOM 0 HB ILE A 111 -0.728 8.752 -5.307 1.00 0.76 H new ATOM 0 HG12 ILE A 111 0.906 7.630 -6.712 1.00 1.24 H new ATOM 0 HG13 ILE A 111 1.312 7.406 -5.022 1.00 1.24 H new ATOM 0 HG21 ILE A 111 -0.457 7.366 -3.291 1.00 0.75 H new ATOM 0 HG22 ILE A 111 -2.168 7.541 -3.750 1.00 0.75 H new ATOM 0 HG23 ILE A 111 -1.302 6.027 -4.103 1.00 0.75 H new ATOM 0 HD11 ILE A 111 1.638 5.335 -6.283 1.00 1.61 H new ATOM 0 HD12 ILE A 111 0.344 5.134 -5.077 1.00 1.61 H new ATOM 0 HD13 ILE A 111 -0.067 5.361 -6.793 1.00 1.61 H new ATOM 1798 N ARG A 112 -3.501 9.019 -6.014 1.00 0.72 N ATOM 1799 CA ARG A 112 -4.812 9.532 -5.636 1.00 0.75 C ATOM 1800 C ARG A 112 -5.886 8.850 -6.459 1.00 0.81 C ATOM 1801 O ARG A 112 -6.858 8.325 -5.927 1.00 0.85 O ATOM 1802 CB ARG A 112 -4.922 11.038 -5.883 1.00 0.85 C ATOM 1803 CG ARG A 112 -3.792 11.877 -5.330 1.00 1.09 C ATOM 1804 CD ARG A 112 -4.154 13.346 -5.435 1.00 1.50 C ATOM 1805 NE ARG A 112 -4.455 13.739 -6.816 1.00 1.51 N ATOM 1806 CZ ARG A 112 -5.686 14.010 -7.264 1.00 1.75 C ATOM 1807 NH1 ARG A 112 -6.731 13.958 -6.446 1.00 2.13 N ATOM 1808 NH2 ARG A 112 -5.876 14.335 -8.536 1.00 2.25 N ATOM 0 H ARG A 112 -2.832 9.738 -6.289 1.00 0.72 H new ATOM 0 HA ARG A 112 -4.943 9.331 -4.573 1.00 0.75 H new ATOM 0 HB2 ARG A 112 -4.984 11.208 -6.958 1.00 0.85 H new ATOM 0 HB3 ARG A 112 -5.858 11.391 -5.450 1.00 0.85 H new ATOM 0 HG2 ARG A 112 -3.603 11.612 -4.290 1.00 1.09 H new ATOM 0 HG3 ARG A 112 -2.873 11.678 -5.882 1.00 1.09 H new ATOM 0 HD2 ARG A 112 -5.017 13.553 -4.803 1.00 1.50 H new ATOM 0 HD3 ARG A 112 -3.330 13.951 -5.057 1.00 1.50 H new ATOM 0 HE ARG A 112 -3.679 13.810 -7.474 1.00 1.51 H new ATOM 0 HH11 ARG A 112 -6.599 13.710 -5.466 1.00 2.13 H new ATOM 0 HH12 ARG A 112 -7.665 14.167 -6.798 1.00 2.13 H new ATOM 0 HH21 ARG A 112 -5.082 14.379 -9.175 1.00 2.25 H new ATOM 0 HH22 ARG A 112 -6.816 14.541 -8.875 1.00 2.25 H new ATOM 1822 N ASP A 113 -5.689 8.860 -7.770 1.00 0.86 N ATOM 1823 CA ASP A 113 -6.669 8.308 -8.691 1.00 0.94 C ATOM 1824 C ASP A 113 -6.855 6.814 -8.467 1.00 0.93 C ATOM 1825 O ASP A 113 -7.983 6.329 -8.387 1.00 0.98 O ATOM 1826 CB ASP A 113 -6.246 8.576 -10.135 1.00 1.05 C ATOM 1827 CG ASP A 113 -7.319 8.170 -11.126 1.00 1.17 C ATOM 1828 OD1 ASP A 113 -8.275 8.953 -11.324 1.00 1.32 O ATOM 1829 OD2 ASP A 113 -7.219 7.073 -11.707 1.00 1.23 O ATOM 0 H ASP A 113 -4.858 9.245 -8.219 1.00 0.86 H new ATOM 0 HA ASP A 113 -7.624 8.799 -8.502 1.00 0.94 H new ATOM 0 HB2 ASP A 113 -6.023 9.636 -10.257 1.00 1.05 H new ATOM 0 HB3 ASP A 113 -5.328 8.030 -10.351 1.00 1.05 H new ATOM 1834 N ALA A 114 -5.749 6.096 -8.331 1.00 0.92 N ATOM 1835 CA ALA A 114 -5.794 4.650 -8.186 1.00 0.95 C ATOM 1836 C ALA A 114 -6.469 4.235 -6.888 1.00 0.91 C ATOM 1837 O ALA A 114 -7.294 3.334 -6.892 1.00 0.95 O ATOM 1838 CB ALA A 114 -4.396 4.065 -8.269 1.00 1.03 C ATOM 0 H ALA A 114 -4.809 6.493 -8.318 1.00 0.92 H new ATOM 0 HA ALA A 114 -6.391 4.255 -9.008 1.00 0.95 H new ATOM 0 HB1 ALA A 114 -4.448 2.982 -8.159 1.00 1.03 H new ATOM 0 HB2 ALA A 114 -3.956 4.311 -9.235 1.00 1.03 H new ATOM 0 HB3 ALA A 114 -3.779 4.482 -7.473 1.00 1.03 H new ATOM 1844 N VAL A 115 -6.138 4.888 -5.778 1.00 0.89 N ATOM 1845 CA VAL A 115 -6.774 4.547 -4.509 1.00 1.01 C ATOM 1846 C VAL A 115 -8.254 4.936 -4.536 1.00 1.06 C ATOM 1847 O VAL A 115 -9.097 4.243 -3.971 1.00 1.17 O ATOM 1848 CB VAL A 115 -6.072 5.197 -3.288 1.00 1.14 C ATOM 1849 CG1 VAL A 115 -4.626 4.736 -3.197 1.00 1.83 C ATOM 1850 CG2 VAL A 115 -6.144 6.717 -3.340 1.00 1.13 C ATOM 0 H VAL A 115 -5.450 5.639 -5.729 1.00 0.89 H new ATOM 0 HA VAL A 115 -6.680 3.468 -4.390 1.00 1.01 H new ATOM 0 HB VAL A 115 -6.602 4.872 -2.393 1.00 1.14 H new ATOM 0 HG11 VAL A 115 -4.149 5.202 -2.335 1.00 1.83 H new ATOM 0 HG12 VAL A 115 -4.596 3.652 -3.087 1.00 1.83 H new ATOM 0 HG13 VAL A 115 -4.095 5.023 -4.104 1.00 1.83 H new ATOM 0 HG21 VAL A 115 -5.641 7.135 -2.468 1.00 1.13 H new ATOM 0 HG22 VAL A 115 -5.655 7.074 -4.246 1.00 1.13 H new ATOM 0 HG23 VAL A 115 -7.188 7.032 -3.343 1.00 1.13 H new ATOM 1860 N LYS A 116 -8.566 6.027 -5.239 1.00 1.06 N ATOM 1861 CA LYS A 116 -9.943 6.490 -5.385 1.00 1.22 C ATOM 1862 C LYS A 116 -10.696 5.658 -6.420 1.00 1.24 C ATOM 1863 O LYS A 116 -11.912 5.772 -6.557 1.00 1.48 O ATOM 1864 CB LYS A 116 -9.969 7.969 -5.778 1.00 1.30 C ATOM 1865 CG LYS A 116 -9.615 8.915 -4.639 1.00 2.03 C ATOM 1866 CD LYS A 116 -10.787 9.112 -3.688 1.00 2.39 C ATOM 1867 CE LYS A 116 -11.961 9.791 -4.379 1.00 3.01 C ATOM 1868 NZ LYS A 116 -11.590 11.124 -4.924 1.00 3.72 N ATOM 0 H LYS A 116 -7.877 6.608 -5.718 1.00 1.06 H new ATOM 0 HA LYS A 116 -10.442 6.370 -4.423 1.00 1.22 H new ATOM 0 HB2 LYS A 116 -9.272 8.129 -6.600 1.00 1.30 H new ATOM 0 HB3 LYS A 116 -10.963 8.219 -6.150 1.00 1.30 H new ATOM 0 HG2 LYS A 116 -8.762 8.519 -4.088 1.00 2.03 H new ATOM 0 HG3 LYS A 116 -9.311 9.879 -5.047 1.00 2.03 H new ATOM 0 HD2 LYS A 116 -11.104 8.146 -3.296 1.00 2.39 H new ATOM 0 HD3 LYS A 116 -10.468 9.713 -2.836 1.00 2.39 H new ATOM 0 HE2 LYS A 116 -12.322 9.156 -5.188 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -12.782 9.904 -3.671 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -12.453 11.657 -5.155 1.00 3.72 H new ATOM 0 HZ2 LYS A 116 -11.039 11.648 -4.214 1.00 3.72 H new ATOM 0 HZ3 LYS A 116 -11.018 11.001 -5.784 1.00 3.72 H new ATOM 1882 N LYS A 117 -9.967 4.847 -7.169 1.00 1.07 N ATOM 1883 CA LYS A 117 -10.583 3.912 -8.098 1.00 1.13 C ATOM 1884 C LYS A 117 -10.686 2.510 -7.499 1.00 1.02 C ATOM 1885 O LYS A 117 -11.679 1.809 -7.697 1.00 1.07 O ATOM 1886 CB LYS A 117 -9.794 3.859 -9.413 1.00 1.24 C ATOM 1887 CG LYS A 117 -10.232 4.904 -10.428 1.00 1.58 C ATOM 1888 CD LYS A 117 -11.723 4.792 -10.723 1.00 2.03 C ATOM 1889 CE LYS A 117 -12.156 5.713 -11.855 1.00 2.71 C ATOM 1890 NZ LYS A 117 -11.626 5.271 -13.173 1.00 3.47 N ATOM 0 H LYS A 117 -8.948 4.817 -7.152 1.00 1.07 H new ATOM 0 HA LYS A 117 -11.592 4.271 -8.299 1.00 1.13 H new ATOM 0 HB2 LYS A 117 -8.734 3.996 -9.197 1.00 1.24 H new ATOM 0 HB3 LYS A 117 -9.904 2.868 -9.853 1.00 1.24 H new ATOM 0 HG2 LYS A 117 -10.007 5.901 -10.048 1.00 1.58 H new ATOM 0 HG3 LYS A 117 -9.665 4.779 -11.351 1.00 1.58 H new ATOM 0 HD2 LYS A 117 -11.964 3.761 -10.983 1.00 2.03 H new ATOM 0 HD3 LYS A 117 -12.289 5.034 -9.823 1.00 2.03 H new ATOM 0 HE2 LYS A 117 -13.245 5.748 -11.896 1.00 2.71 H new ATOM 0 HE3 LYS A 117 -11.812 6.726 -11.648 1.00 2.71 H new ATOM 0 HZ1 LYS A 117 -12.078 5.821 -13.931 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -10.597 5.422 -13.202 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -11.831 4.260 -13.308 1.00 3.47 H new ATOM 1904 N TYR A 118 -9.669 2.128 -6.745 1.00 0.95 N ATOM 1905 CA TYR A 118 -9.519 0.757 -6.277 1.00 0.95 C ATOM 1906 C TYR A 118 -10.242 0.504 -4.955 1.00 1.19 C ATOM 1907 O TYR A 118 -10.901 -0.525 -4.795 1.00 1.58 O ATOM 1908 CB TYR A 118 -8.030 0.434 -6.132 1.00 1.75 C ATOM 1909 CG TYR A 118 -7.743 -0.989 -5.711 1.00 1.89 C ATOM 1910 CD1 TYR A 118 -8.119 -2.060 -6.512 1.00 1.87 C ATOM 1911 CD2 TYR A 118 -7.104 -1.259 -4.508 1.00 2.44 C ATOM 1912 CE1 TYR A 118 -7.864 -3.360 -6.127 1.00 2.31 C ATOM 1913 CE2 TYR A 118 -6.844 -2.557 -4.119 1.00 2.86 C ATOM 1914 CZ TYR A 118 -7.208 -3.604 -4.945 1.00 2.77 C ATOM 1915 OH TYR A 118 -6.967 -4.898 -4.541 1.00 3.35 O ATOM 0 H TYR A 118 -8.925 2.756 -6.440 1.00 0.95 H new ATOM 0 HA TYR A 118 -9.979 0.102 -7.017 1.00 0.95 H new ATOM 0 HB2 TYR A 118 -7.534 0.627 -7.083 1.00 1.75 H new ATOM 0 HB3 TYR A 118 -7.592 1.113 -5.400 1.00 1.75 H new ATOM 0 HD1 TYR A 118 -8.619 -1.872 -7.451 1.00 1.87 H new ATOM 0 HD2 TYR A 118 -6.806 -0.442 -3.868 1.00 2.44 H new ATOM 0 HE1 TYR A 118 -8.179 -4.182 -6.752 1.00 2.31 H new ATOM 0 HE2 TYR A 118 -6.359 -2.754 -3.174 1.00 2.86 H new ATOM 0 HH TYR A 118 -6.867 -5.473 -5.328 1.00 3.35 H new