USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 774 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 71 SER OG : rot -108:sc= 1.42 USER MOD Set 1.2: A 74 SER OG : rot -29:sc= 1.13 USER MOD Set 2.1: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 9 SER OG : rot 180:sc= 0.0164 USER MOD Set 3.2: A 53 GLN : amide:sc= -0.806 X(o=-0.79,f=-0.45) USER MOD Set 4.1: A 43 THR OG1 : rot -139:sc= 0.426 USER MOD Set 4.2: A 47 THR OG1 : rot 180:sc= 0.365 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 110:sc= -0.351 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -146:sc= -0.102 (180deg=-1.29!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 42 ASN : amide:sc=-0.00133 X(o=-0.0013,f=-0.11) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 51 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.3) USER MOD Single : A 61 HIS : no HD1:sc=-0.00689 X(o=-0.0069,f=-0.078) USER MOD Single : A 62 MET CE :methyl -125:sc= -1.44 (180deg=-3.88!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0457 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.091) USER MOD Single : A 82 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.17) USER MOD Single : A 83 ASN : amide:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 165:sc=-0.00794 (180deg=-0.146) USER MOD Single : A 92 TYR OH : rot -121:sc= 1.53 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 5 9.198 0.627 -7.482 1.00 22.02 N ATOM 41 CA ASN A 5 10.008 -0.573 -7.658 1.00 72.23 C ATOM 42 C ASN A 5 10.719 -0.556 -9.008 1.00 73.12 C ATOM 43 O ASN A 5 10.229 -1.119 -9.988 1.00 52.52 O ATOM 44 CB ASN A 5 9.134 -1.824 -7.545 1.00 62.11 C ATOM 45 CG ASN A 5 8.331 -1.854 -6.259 1.00 54.34 C ATOM 46 OD1 ASN A 5 8.881 -2.046 -5.175 1.00 34.41 O ATOM 47 ND2 ASN A 5 7.022 -1.663 -6.375 1.00 54.44 N ATOM 0 HA ASN A 5 10.762 -0.592 -6.871 1.00 72.23 H new ATOM 0 HB2 ASN A 5 8.454 -1.867 -8.396 1.00 62.11 H new ATOM 0 HB3 ASN A 5 9.765 -2.711 -7.597 1.00 62.11 H new ATOM 0 HD21 ASN A 5 6.430 -1.672 -5.545 1.00 54.44 H new ATOM 0 HD22 ASN A 5 6.609 -1.507 -7.294 1.00 54.44 H new ATOM 54 N THR A 6 11.878 0.093 -9.052 1.00 61.13 N ATOM 55 CA THR A 6 12.657 0.184 -10.281 1.00 13.21 C ATOM 56 C THR A 6 13.088 -1.196 -10.762 1.00 73.45 C ATOM 57 O THR A 6 14.105 -1.731 -10.318 1.00 52.32 O ATOM 58 CB THR A 6 13.908 1.062 -10.089 1.00 53.23 C ATOM 59 OG1 THR A 6 13.545 2.305 -9.476 1.00 61.54 O ATOM 60 CG2 THR A 6 14.591 1.329 -11.422 1.00 60.20 C ATOM 0 H THR A 6 12.298 0.564 -8.251 1.00 61.13 H new ATOM 0 HA THR A 6 12.012 0.642 -11.031 1.00 13.21 H new ATOM 0 HB THR A 6 14.604 0.528 -9.442 1.00 53.23 H new ATOM 0 HG1 THR A 6 14.346 2.857 -9.356 1.00 61.54 H new ATOM 0 HG21 THR A 6 15.472 1.951 -11.261 1.00 60.20 H new ATOM 0 HG22 THR A 6 14.892 0.383 -11.873 1.00 60.20 H new ATOM 0 HG23 THR A 6 13.899 1.845 -12.088 1.00 60.20 H new ATOM 68 N LEU A 7 12.309 -1.770 -11.674 1.00 2.45 N ATOM 69 CA LEU A 7 12.611 -3.089 -12.217 1.00 22.42 C ATOM 70 C LEU A 7 13.952 -3.085 -12.945 1.00 14.11 C ATOM 71 O LEU A 7 14.235 -2.187 -13.739 1.00 13.04 O ATOM 72 CB LEU A 7 11.502 -3.536 -13.170 1.00 74.31 C ATOM 73 CG LEU A 7 11.225 -5.039 -13.220 1.00 75.30 C ATOM 74 CD1 LEU A 7 12.454 -5.793 -13.703 1.00 51.13 C ATOM 75 CD2 LEU A 7 10.789 -5.547 -11.853 1.00 54.13 C ATOM 0 H LEU A 7 11.464 -1.342 -12.052 1.00 2.45 H new ATOM 0 HA LEU A 7 12.672 -3.791 -11.386 1.00 22.42 H new ATOM 0 HB2 LEU A 7 10.581 -3.026 -12.888 1.00 74.31 H new ATOM 0 HB3 LEU A 7 11.757 -3.200 -14.175 1.00 74.31 H new ATOM 0 HG LEU A 7 10.414 -5.216 -13.927 1.00 75.30 H new ATOM 0 HD11 LEU A 7 12.238 -6.861 -13.732 1.00 51.13 H new ATOM 0 HD12 LEU A 7 12.722 -5.450 -14.702 1.00 51.13 H new ATOM 0 HD13 LEU A 7 13.285 -5.609 -13.021 1.00 51.13 H new ATOM 0 HD21 LEU A 7 10.596 -6.618 -11.908 1.00 54.13 H new ATOM 0 HD22 LEU A 7 11.578 -5.357 -11.126 1.00 54.13 H new ATOM 0 HD23 LEU A 7 9.880 -5.030 -11.546 1.00 54.13 H new ATOM 87 N ILE A 8 14.771 -4.094 -12.671 1.00 61.20 N ATOM 88 CA ILE A 8 16.080 -4.208 -13.303 1.00 11.24 C ATOM 89 C ILE A 8 16.300 -5.609 -13.863 1.00 51.23 C ATOM 90 O ILE A 8 15.595 -6.551 -13.501 1.00 64.14 O ATOM 91 CB ILE A 8 17.213 -3.879 -12.313 1.00 21.42 C ATOM 92 CG1 ILE A 8 17.053 -4.698 -11.030 1.00 54.11 C ATOM 93 CG2 ILE A 8 17.228 -2.391 -11.999 1.00 54.33 C ATOM 94 CD1 ILE A 8 18.364 -5.007 -10.342 1.00 40.05 C ATOM 0 H ILE A 8 14.552 -4.844 -12.016 1.00 61.20 H new ATOM 0 HA ILE A 8 16.101 -3.486 -14.119 1.00 11.24 H new ATOM 0 HB ILE A 8 18.165 -4.142 -12.774 1.00 21.42 H new ATOM 0 HG12 ILE A 8 16.409 -4.154 -10.339 1.00 54.11 H new ATOM 0 HG13 ILE A 8 16.547 -5.634 -11.267 1.00 54.11 H new ATOM 0 HG21 ILE A 8 18.034 -2.175 -11.298 1.00 54.33 H new ATOM 0 HG22 ILE A 8 17.385 -1.827 -12.918 1.00 54.33 H new ATOM 0 HG23 ILE A 8 16.275 -2.103 -11.555 1.00 54.33 H new ATOM 0 HD11 ILE A 8 18.173 -5.590 -9.441 1.00 40.05 H new ATOM 0 HD12 ILE A 8 19.002 -5.579 -11.015 1.00 40.05 H new ATOM 0 HD13 ILE A 8 18.862 -4.076 -10.073 1.00 40.05 H new ATOM 106 N SER A 9 17.284 -5.739 -14.748 1.00 15.52 N ATOM 107 CA SER A 9 17.596 -7.024 -15.361 1.00 31.45 C ATOM 108 C SER A 9 19.065 -7.382 -15.154 1.00 54.12 C ATOM 109 O SER A 9 19.943 -6.523 -15.240 1.00 34.22 O ATOM 110 CB SER A 9 17.272 -6.993 -16.855 1.00 60.04 C ATOM 111 OG SER A 9 18.029 -7.961 -17.562 1.00 12.14 O ATOM 0 H SER A 9 17.878 -4.970 -15.056 1.00 15.52 H new ATOM 0 HA SER A 9 16.983 -7.786 -14.880 1.00 31.45 H new ATOM 0 HB2 SER A 9 16.208 -7.179 -17.003 1.00 60.04 H new ATOM 0 HB3 SER A 9 17.481 -6.001 -17.255 1.00 60.04 H new ATOM 0 HG SER A 9 17.802 -7.922 -18.515 1.00 12.14 H new ATOM 117 N VAL A 10 19.324 -8.657 -14.881 1.00 42.24 N ATOM 118 CA VAL A 10 20.686 -9.130 -14.664 1.00 31.14 C ATOM 119 C VAL A 10 20.748 -10.653 -14.684 1.00 62.25 C ATOM 120 O VAL A 10 19.789 -11.329 -14.313 1.00 32.24 O ATOM 121 CB VAL A 10 21.249 -8.623 -13.323 1.00 13.43 C ATOM 122 CG1 VAL A 10 20.502 -9.253 -12.157 1.00 53.41 C ATOM 123 CG2 VAL A 10 22.740 -8.909 -13.229 1.00 33.35 C ATOM 0 H VAL A 10 18.609 -9.380 -14.805 1.00 42.24 H new ATOM 0 HA VAL A 10 21.292 -8.733 -15.478 1.00 31.14 H new ATOM 0 HB VAL A 10 21.106 -7.544 -13.274 1.00 13.43 H new ATOM 0 HG11 VAL A 10 20.914 -8.883 -11.218 1.00 53.41 H new ATOM 0 HG12 VAL A 10 19.446 -8.992 -12.218 1.00 53.41 H new ATOM 0 HG13 VAL A 10 20.611 -10.337 -12.198 1.00 53.41 H new ATOM 0 HG21 VAL A 10 23.121 -8.544 -12.275 1.00 33.35 H new ATOM 0 HG22 VAL A 10 22.910 -9.983 -13.300 1.00 33.35 H new ATOM 0 HG23 VAL A 10 23.259 -8.405 -14.044 1.00 33.35 H new ATOM 133 N ASP A 11 21.883 -11.187 -15.121 1.00 65.31 N ATOM 134 CA ASP A 11 22.072 -12.632 -15.189 1.00 45.32 C ATOM 135 C ASP A 11 23.040 -13.105 -14.109 1.00 44.42 C ATOM 136 O ASP A 11 23.554 -12.304 -13.328 1.00 0.33 O ATOM 137 CB ASP A 11 22.593 -13.035 -16.570 1.00 13.12 C ATOM 138 CG ASP A 11 23.914 -12.372 -16.907 1.00 31.11 C ATOM 139 OD1 ASP A 11 24.923 -12.686 -16.240 1.00 54.33 O ATOM 140 OD2 ASP A 11 23.939 -11.540 -17.838 1.00 24.51 O ATOM 0 H ASP A 11 22.686 -10.641 -15.433 1.00 65.31 H new ATOM 0 HA ASP A 11 21.106 -13.108 -15.020 1.00 45.32 H new ATOM 0 HB2 ASP A 11 22.713 -14.118 -16.608 1.00 13.12 H new ATOM 0 HB3 ASP A 11 21.854 -12.770 -17.326 1.00 13.12 H new ATOM 145 N TYR A 12 23.284 -14.410 -14.071 1.00 11.23 N ATOM 146 CA TYR A 12 24.187 -14.990 -13.084 1.00 64.12 C ATOM 147 C TYR A 12 24.964 -16.161 -13.679 1.00 44.51 C ATOM 148 O TYR A 12 24.714 -16.574 -14.810 1.00 71.35 O ATOM 149 CB TYR A 12 23.404 -15.455 -11.856 1.00 31.43 C ATOM 150 CG TYR A 12 22.934 -14.322 -10.972 1.00 51.12 C ATOM 151 CD1 TYR A 12 21.797 -13.591 -11.293 1.00 52.43 C ATOM 152 CD2 TYR A 12 23.627 -13.981 -9.817 1.00 61.43 C ATOM 153 CE1 TYR A 12 21.364 -12.554 -10.490 1.00 11.44 C ATOM 154 CE2 TYR A 12 23.201 -12.947 -9.007 1.00 73.10 C ATOM 155 CZ TYR A 12 22.069 -12.236 -9.347 1.00 71.14 C ATOM 156 OH TYR A 12 21.642 -11.204 -8.544 1.00 33.25 O ATOM 0 H TYR A 12 22.869 -15.086 -14.712 1.00 11.23 H new ATOM 0 HA TYR A 12 24.898 -14.220 -12.783 1.00 64.12 H new ATOM 0 HB2 TYR A 12 22.539 -16.031 -12.184 1.00 31.43 H new ATOM 0 HB3 TYR A 12 24.031 -16.127 -11.269 1.00 31.43 H new ATOM 0 HD1 TYR A 12 21.242 -13.838 -12.186 1.00 52.43 H new ATOM 0 HD2 TYR A 12 24.515 -14.534 -9.548 1.00 61.43 H new ATOM 0 HE1 TYR A 12 20.479 -11.995 -10.755 1.00 11.44 H new ATOM 0 HE2 TYR A 12 23.751 -12.696 -8.112 1.00 73.10 H new ATOM 0 HH TYR A 12 21.295 -11.567 -7.702 1.00 33.25 H new ATOM 166 N GLU A 13 25.908 -16.689 -12.907 1.00 23.44 N ATOM 167 CA GLU A 13 26.723 -17.812 -13.357 1.00 35.22 C ATOM 168 C GLU A 13 27.480 -18.437 -12.189 1.00 62.50 C ATOM 169 O GLU A 13 28.169 -17.744 -11.440 1.00 13.02 O ATOM 170 CB GLU A 13 27.709 -17.356 -14.433 1.00 43.15 C ATOM 171 CG GLU A 13 28.521 -18.491 -15.035 1.00 41.33 C ATOM 172 CD GLU A 13 29.355 -18.046 -16.221 1.00 71.33 C ATOM 173 OE1 GLU A 13 30.149 -17.095 -16.064 1.00 63.42 O ATOM 174 OE2 GLU A 13 29.213 -18.649 -17.306 1.00 3.32 O ATOM 0 H GLU A 13 26.128 -16.358 -11.968 1.00 23.44 H new ATOM 0 HA GLU A 13 26.058 -18.564 -13.780 1.00 35.22 H new ATOM 0 HB2 GLU A 13 27.159 -16.853 -15.228 1.00 43.15 H new ATOM 0 HB3 GLU A 13 28.390 -16.622 -14.002 1.00 43.15 H new ATOM 0 HG2 GLU A 13 29.176 -18.909 -14.271 1.00 41.33 H new ATOM 0 HG3 GLU A 13 27.847 -19.289 -15.348 1.00 41.33 H new ATOM 181 N ILE A 14 27.347 -19.751 -12.041 1.00 23.20 N ATOM 182 CA ILE A 14 28.019 -20.470 -10.966 1.00 22.04 C ATOM 183 C ILE A 14 28.959 -21.535 -11.520 1.00 21.32 C ATOM 184 O ILE A 14 28.699 -22.123 -12.570 1.00 14.11 O ATOM 185 CB ILE A 14 27.007 -21.138 -10.017 1.00 32.24 C ATOM 186 CG1 ILE A 14 25.951 -20.126 -9.567 1.00 41.12 C ATOM 187 CG2 ILE A 14 27.722 -21.735 -8.814 1.00 3.32 C ATOM 188 CD1 ILE A 14 26.523 -18.960 -8.792 1.00 4.02 C ATOM 0 H ILE A 14 26.780 -20.339 -12.652 1.00 23.20 H new ATOM 0 HA ILE A 14 28.597 -19.734 -10.408 1.00 22.04 H new ATOM 0 HB ILE A 14 26.506 -21.943 -10.554 1.00 32.24 H new ATOM 0 HG12 ILE A 14 25.426 -19.747 -10.444 1.00 41.12 H new ATOM 0 HG13 ILE A 14 25.212 -20.635 -8.949 1.00 41.12 H new ATOM 0 HG21 ILE A 14 26.993 -22.203 -8.153 1.00 3.32 H new ATOM 0 HG22 ILE A 14 28.439 -22.483 -9.151 1.00 3.32 H new ATOM 0 HG23 ILE A 14 28.247 -20.947 -8.275 1.00 3.32 H new ATOM 0 HD11 ILE A 14 25.718 -18.284 -8.505 1.00 4.02 H new ATOM 0 HD12 ILE A 14 27.023 -19.329 -7.896 1.00 4.02 H new ATOM 0 HD13 ILE A 14 27.241 -18.426 -9.415 1.00 4.02 H new ATOM 200 N PHE A 15 30.053 -21.781 -10.806 1.00 12.11 N ATOM 201 CA PHE A 15 31.032 -22.777 -11.226 1.00 0.45 C ATOM 202 C PHE A 15 31.466 -23.643 -10.047 1.00 32.21 C ATOM 203 O PHE A 15 31.571 -23.167 -8.918 1.00 1.25 O ATOM 204 CB PHE A 15 32.252 -22.093 -11.847 1.00 31.14 C ATOM 205 CG PHE A 15 33.222 -23.053 -12.474 1.00 41.21 C ATOM 206 CD1 PHE A 15 32.855 -23.808 -13.576 1.00 42.24 C ATOM 207 CD2 PHE A 15 34.501 -23.200 -11.962 1.00 1.51 C ATOM 208 CE1 PHE A 15 33.746 -24.692 -14.155 1.00 72.11 C ATOM 209 CE2 PHE A 15 35.396 -24.082 -12.537 1.00 23.14 C ATOM 210 CZ PHE A 15 35.018 -24.829 -13.635 1.00 43.54 C ATOM 0 H PHE A 15 30.284 -21.304 -9.934 1.00 12.11 H new ATOM 0 HA PHE A 15 30.564 -23.418 -11.973 1.00 0.45 H new ATOM 0 HB2 PHE A 15 31.915 -21.383 -12.603 1.00 31.14 H new ATOM 0 HB3 PHE A 15 32.768 -21.518 -11.077 1.00 31.14 H new ATOM 0 HD1 PHE A 15 31.862 -23.705 -13.987 1.00 42.24 H new ATOM 0 HD2 PHE A 15 34.802 -22.618 -11.103 1.00 1.51 H new ATOM 0 HE1 PHE A 15 33.448 -25.275 -15.014 1.00 72.11 H new ATOM 0 HE2 PHE A 15 36.390 -24.187 -12.128 1.00 23.14 H new ATOM 0 HZ PHE A 15 35.716 -25.519 -14.086 1.00 43.54 H new ATOM 220 N GLY A 16 31.716 -24.921 -10.319 1.00 53.53 N ATOM 221 CA GLY A 16 32.134 -25.834 -9.272 1.00 62.24 C ATOM 222 C GLY A 16 31.388 -27.153 -9.321 1.00 41.31 C ATOM 223 O GLY A 16 31.519 -27.914 -10.280 1.00 13.10 O ATOM 0 H GLY A 16 31.636 -25.339 -11.246 1.00 53.53 H new ATOM 0 HA2 GLY A 16 33.204 -26.022 -9.364 1.00 62.24 H new ATOM 0 HA3 GLY A 16 31.974 -25.366 -8.301 1.00 62.24 H new ATOM 227 N LYS A 17 30.604 -27.426 -8.284 1.00 1.33 N ATOM 228 CA LYS A 17 29.834 -28.662 -8.210 1.00 52.45 C ATOM 229 C LYS A 17 28.373 -28.415 -8.574 1.00 42.33 C ATOM 230 O LYS A 17 27.482 -29.142 -8.135 1.00 1.31 O ATOM 231 CB LYS A 17 29.926 -29.262 -6.806 1.00 1.32 C ATOM 232 CG LYS A 17 29.600 -30.744 -6.755 1.00 60.32 C ATOM 233 CD LYS A 17 30.738 -31.585 -7.309 1.00 41.13 C ATOM 234 CE LYS A 17 30.224 -32.860 -7.960 1.00 52.33 C ATOM 235 NZ LYS A 17 31.313 -33.613 -8.642 1.00 52.52 N ATOM 0 H LYS A 17 30.485 -26.807 -7.482 1.00 1.33 H new ATOM 0 HA LYS A 17 30.255 -29.366 -8.927 1.00 52.45 H new ATOM 0 HB2 LYS A 17 30.933 -29.107 -6.419 1.00 1.32 H new ATOM 0 HB3 LYS A 17 29.245 -28.726 -6.146 1.00 1.32 H new ATOM 0 HG2 LYS A 17 29.397 -31.038 -5.725 1.00 60.32 H new ATOM 0 HG3 LYS A 17 28.692 -30.938 -7.326 1.00 60.32 H new ATOM 0 HD2 LYS A 17 31.299 -31.003 -8.040 1.00 41.13 H new ATOM 0 HD3 LYS A 17 31.429 -31.839 -6.505 1.00 41.13 H new ATOM 0 HE2 LYS A 17 29.763 -33.494 -7.203 1.00 52.33 H new ATOM 0 HE3 LYS A 17 29.447 -32.611 -8.683 1.00 52.33 H new ATOM 0 HZ1 LYS A 17 30.922 -34.475 -9.073 1.00 52.52 H new ATOM 0 HZ2 LYS A 17 31.736 -33.017 -9.382 1.00 52.52 H new ATOM 0 HZ3 LYS A 17 32.042 -33.873 -7.948 1.00 52.52 H new ATOM 249 N VAL A 18 28.135 -27.385 -9.381 1.00 33.31 N ATOM 250 CA VAL A 18 26.782 -27.044 -9.806 1.00 23.51 C ATOM 251 C VAL A 18 26.482 -27.610 -11.189 1.00 70.43 C ATOM 252 O VAL A 18 25.724 -27.022 -11.960 1.00 4.42 O ATOM 253 CB VAL A 18 26.569 -25.519 -9.830 1.00 22.21 C ATOM 254 CG1 VAL A 18 26.651 -24.946 -8.423 1.00 65.23 C ATOM 255 CG2 VAL A 18 27.585 -24.854 -10.746 1.00 25.12 C ATOM 0 H VAL A 18 28.861 -26.773 -9.753 1.00 33.31 H new ATOM 0 HA VAL A 18 26.101 -27.487 -9.080 1.00 23.51 H new ATOM 0 HB VAL A 18 25.573 -25.315 -10.222 1.00 22.21 H new ATOM 0 HG11 VAL A 18 26.498 -23.867 -8.460 1.00 65.23 H new ATOM 0 HG12 VAL A 18 25.881 -25.401 -7.800 1.00 65.23 H new ATOM 0 HG13 VAL A 18 27.633 -25.159 -8.000 1.00 65.23 H new ATOM 0 HG21 VAL A 18 27.420 -23.777 -10.751 1.00 25.12 H new ATOM 0 HG22 VAL A 18 28.592 -25.065 -10.386 1.00 25.12 H new ATOM 0 HG23 VAL A 18 27.472 -25.243 -11.758 1.00 25.12 H new ATOM 265 N GLN A 19 27.081 -28.756 -11.497 1.00 31.55 N ATOM 266 CA GLN A 19 26.877 -29.402 -12.788 1.00 22.00 C ATOM 267 C GLN A 19 26.014 -30.651 -12.642 1.00 54.43 C ATOM 268 O GLN A 19 24.859 -30.672 -13.068 1.00 24.44 O ATOM 269 CB GLN A 19 28.223 -29.769 -13.416 1.00 53.35 C ATOM 270 CG GLN A 19 28.882 -28.617 -14.158 1.00 53.03 C ATOM 271 CD GLN A 19 30.188 -29.017 -14.815 1.00 71.23 C ATOM 272 OE1 GLN A 19 31.253 -28.505 -14.469 1.00 52.12 O ATOM 273 NE2 GLN A 19 30.113 -29.938 -15.769 1.00 43.24 N ATOM 0 H GLN A 19 27.711 -29.256 -10.870 1.00 31.55 H new ATOM 0 HA GLN A 19 26.359 -28.699 -13.440 1.00 22.00 H new ATOM 0 HB2 GLN A 19 28.896 -30.119 -12.634 1.00 53.35 H new ATOM 0 HB3 GLN A 19 28.078 -30.600 -14.107 1.00 53.35 H new ATOM 0 HG2 GLN A 19 28.198 -28.241 -14.918 1.00 53.03 H new ATOM 0 HG3 GLN A 19 29.066 -27.799 -13.461 1.00 53.03 H new ATOM 0 HE21 GLN A 19 29.209 -30.336 -16.024 1.00 43.24 H new ATOM 0 HE22 GLN A 19 30.959 -30.248 -16.247 1.00 43.24 H new ATOM 282 N GLY A 20 26.582 -31.690 -12.038 1.00 75.10 N ATOM 283 CA GLY A 20 25.849 -32.928 -11.848 1.00 22.45 C ATOM 284 C GLY A 20 25.001 -32.913 -10.591 1.00 64.21 C ATOM 285 O GLY A 20 25.107 -33.807 -9.751 1.00 73.34 O ATOM 0 H GLY A 20 27.536 -31.697 -11.677 1.00 75.10 H new ATOM 0 HA2 GLY A 20 25.209 -33.104 -12.712 1.00 22.45 H new ATOM 0 HA3 GLY A 20 26.552 -33.759 -11.798 1.00 22.45 H new ATOM 289 N VAL A 21 24.159 -31.894 -10.460 1.00 13.51 N ATOM 290 CA VAL A 21 23.290 -31.765 -9.296 1.00 54.13 C ATOM 291 C VAL A 21 21.905 -31.267 -9.697 1.00 24.03 C ATOM 292 O VAL A 21 21.752 -30.559 -10.692 1.00 44.22 O ATOM 293 CB VAL A 21 23.887 -30.802 -8.253 1.00 23.40 C ATOM 294 CG1 VAL A 21 23.912 -29.380 -8.791 1.00 10.21 C ATOM 295 CG2 VAL A 21 23.104 -30.875 -6.951 1.00 71.30 C ATOM 0 H VAL A 21 24.060 -31.145 -11.145 1.00 13.51 H new ATOM 0 HA VAL A 21 23.203 -32.758 -8.855 1.00 54.13 H new ATOM 0 HB VAL A 21 24.914 -31.106 -8.050 1.00 23.40 H new ATOM 0 HG11 VAL A 21 24.337 -28.714 -8.040 1.00 10.21 H new ATOM 0 HG12 VAL A 21 24.521 -29.343 -9.694 1.00 10.21 H new ATOM 0 HG13 VAL A 21 22.896 -29.062 -9.025 1.00 10.21 H new ATOM 0 HG21 VAL A 21 23.540 -30.188 -6.225 1.00 71.30 H new ATOM 0 HG22 VAL A 21 22.066 -30.598 -7.135 1.00 71.30 H new ATOM 0 HG23 VAL A 21 23.145 -31.891 -6.558 1.00 71.30 H new ATOM 305 N PHE A 22 20.899 -31.642 -8.914 1.00 53.43 N ATOM 306 CA PHE A 22 19.526 -31.234 -9.187 1.00 55.51 C ATOM 307 C PHE A 22 19.145 -30.014 -8.353 1.00 35.12 C ATOM 308 O PHE A 22 17.980 -29.829 -8.000 1.00 13.50 O ATOM 309 CB PHE A 22 18.561 -32.386 -8.897 1.00 4.43 C ATOM 310 CG PHE A 22 18.727 -32.975 -7.525 1.00 44.12 C ATOM 311 CD1 PHE A 22 18.064 -32.429 -6.438 1.00 24.54 C ATOM 312 CD2 PHE A 22 19.546 -34.074 -7.323 1.00 71.55 C ATOM 313 CE1 PHE A 22 18.216 -32.969 -5.174 1.00 61.44 C ATOM 314 CE2 PHE A 22 19.701 -34.619 -6.063 1.00 21.05 C ATOM 315 CZ PHE A 22 19.034 -34.066 -4.987 1.00 24.22 C ATOM 0 H PHE A 22 21.009 -32.227 -8.086 1.00 53.43 H new ATOM 0 HA PHE A 22 19.456 -30.968 -10.242 1.00 55.51 H new ATOM 0 HB2 PHE A 22 17.537 -32.029 -9.009 1.00 4.43 H new ATOM 0 HB3 PHE A 22 18.709 -33.169 -9.640 1.00 4.43 H new ATOM 0 HD1 PHE A 22 17.422 -31.572 -6.579 1.00 24.54 H new ATOM 0 HD2 PHE A 22 20.070 -34.510 -8.161 1.00 71.55 H new ATOM 0 HE1 PHE A 22 17.696 -32.533 -4.334 1.00 61.44 H new ATOM 0 HE2 PHE A 22 20.343 -35.476 -5.919 1.00 21.05 H new ATOM 0 HZ PHE A 22 19.152 -34.491 -4.001 1.00 24.22 H new ATOM 325 N PHE A 23 20.135 -29.185 -8.040 1.00 64.53 N ATOM 326 CA PHE A 23 19.906 -27.984 -7.246 1.00 73.22 C ATOM 327 C PHE A 23 18.880 -27.076 -7.918 1.00 45.44 C ATOM 328 O PHE A 23 18.196 -26.297 -7.255 1.00 11.23 O ATOM 329 CB PHE A 23 21.218 -27.225 -7.039 1.00 61.41 C ATOM 330 CG PHE A 23 21.039 -25.883 -6.389 1.00 35.42 C ATOM 331 CD1 PHE A 23 20.254 -25.748 -5.255 1.00 55.42 C ATOM 332 CD2 PHE A 23 21.654 -24.758 -6.912 1.00 3.45 C ATOM 333 CE1 PHE A 23 20.086 -24.514 -4.654 1.00 65.21 C ATOM 334 CE2 PHE A 23 21.491 -23.522 -6.315 1.00 3.15 C ATOM 335 CZ PHE A 23 20.705 -23.400 -5.185 1.00 44.22 C ATOM 0 H PHE A 23 21.105 -29.323 -8.325 1.00 64.53 H new ATOM 0 HA PHE A 23 19.515 -28.289 -6.275 1.00 73.22 H new ATOM 0 HB2 PHE A 23 21.886 -27.830 -6.426 1.00 61.41 H new ATOM 0 HB3 PHE A 23 21.706 -27.090 -8.004 1.00 61.41 H new ATOM 0 HD1 PHE A 23 19.768 -26.617 -4.836 1.00 55.42 H new ATOM 0 HD2 PHE A 23 22.268 -24.847 -7.796 1.00 3.45 H new ATOM 0 HE1 PHE A 23 19.472 -24.422 -3.771 1.00 65.21 H new ATOM 0 HE2 PHE A 23 21.978 -22.652 -6.731 1.00 3.15 H new ATOM 0 HZ PHE A 23 20.575 -22.435 -4.718 1.00 44.22 H new ATOM 345 N ARG A 24 18.781 -27.181 -9.239 1.00 64.25 N ATOM 346 CA ARG A 24 17.842 -26.369 -10.003 1.00 12.55 C ATOM 347 C ARG A 24 16.430 -26.494 -9.436 1.00 43.35 C ATOM 348 O ARG A 24 15.642 -25.549 -9.489 1.00 63.11 O ATOM 349 CB ARG A 24 17.851 -26.786 -11.474 1.00 65.02 C ATOM 350 CG ARG A 24 17.228 -28.150 -11.725 1.00 5.45 C ATOM 351 CD ARG A 24 17.353 -28.559 -13.184 1.00 33.53 C ATOM 352 NE ARG A 24 18.646 -29.174 -13.471 1.00 71.04 N ATOM 353 CZ ARG A 24 18.980 -30.400 -13.083 1.00 11.43 C ATOM 354 NH1 ARG A 24 18.120 -31.138 -12.394 1.00 41.32 N ATOM 355 NH2 ARG A 24 20.176 -30.889 -13.383 1.00 70.31 N ATOM 0 H ARG A 24 19.340 -27.821 -9.803 1.00 64.25 H new ATOM 0 HA ARG A 24 18.156 -25.328 -9.927 1.00 12.55 H new ATOM 0 HB2 ARG A 24 17.315 -26.038 -12.058 1.00 65.02 H new ATOM 0 HB3 ARG A 24 18.880 -26.794 -11.834 1.00 65.02 H new ATOM 0 HG2 ARG A 24 17.714 -28.895 -11.094 1.00 5.45 H new ATOM 0 HG3 ARG A 24 16.176 -28.129 -11.441 1.00 5.45 H new ATOM 0 HD2 ARG A 24 16.555 -29.259 -13.434 1.00 33.53 H new ATOM 0 HD3 ARG A 24 17.219 -27.683 -13.819 1.00 33.53 H new ATOM 0 HE ARG A 24 19.331 -28.632 -13.999 1.00 71.04 H new ATOM 0 HH11 ARG A 24 17.200 -30.765 -12.161 1.00 41.32 H new ATOM 0 HH12 ARG A 24 18.379 -32.079 -12.097 1.00 41.32 H new ATOM 0 HH21 ARG A 24 20.840 -30.324 -13.912 1.00 70.31 H new ATOM 0 HH22 ARG A 24 20.432 -31.830 -13.085 1.00 70.31 H new ATOM 369 N LYS A 25 16.117 -27.666 -8.896 1.00 22.24 N ATOM 370 CA LYS A 25 14.802 -27.916 -8.319 1.00 34.52 C ATOM 371 C LYS A 25 14.543 -26.993 -7.133 1.00 11.31 C ATOM 372 O LYS A 25 13.417 -26.541 -6.919 1.00 24.01 O ATOM 373 CB LYS A 25 14.685 -29.377 -7.876 1.00 45.22 C ATOM 374 CG LYS A 25 13.259 -29.900 -7.873 1.00 4.33 C ATOM 375 CD LYS A 25 12.575 -29.643 -6.541 1.00 33.12 C ATOM 376 CE LYS A 25 11.471 -30.656 -6.277 1.00 62.10 C ATOM 377 NZ LYS A 25 11.993 -31.886 -5.619 1.00 50.03 N ATOM 0 H LYS A 25 16.757 -28.459 -8.846 1.00 22.24 H new ATOM 0 HA LYS A 25 14.053 -27.714 -9.085 1.00 34.52 H new ATOM 0 HB2 LYS A 25 15.289 -29.998 -8.537 1.00 45.22 H new ATOM 0 HB3 LYS A 25 15.102 -29.479 -6.874 1.00 45.22 H new ATOM 0 HG2 LYS A 25 12.693 -29.421 -8.672 1.00 4.33 H new ATOM 0 HG3 LYS A 25 13.262 -30.970 -8.081 1.00 4.33 H new ATOM 0 HD2 LYS A 25 13.311 -29.688 -5.738 1.00 33.12 H new ATOM 0 HD3 LYS A 25 12.156 -28.637 -6.534 1.00 33.12 H new ATOM 0 HE2 LYS A 25 10.706 -30.203 -5.646 1.00 62.10 H new ATOM 0 HE3 LYS A 25 10.991 -30.923 -7.218 1.00 62.10 H new ATOM 0 HZ1 LYS A 25 11.210 -32.551 -5.456 1.00 50.03 H new ATOM 0 HZ2 LYS A 25 12.705 -32.332 -6.232 1.00 50.03 H new ATOM 0 HZ3 LYS A 25 12.429 -31.635 -4.709 1.00 50.03 H new ATOM 391 N HIS A 26 15.592 -26.715 -6.365 1.00 51.42 N ATOM 392 CA HIS A 26 15.478 -25.842 -5.202 1.00 30.33 C ATOM 393 C HIS A 26 15.399 -24.379 -5.626 1.00 14.25 C ATOM 394 O HIS A 26 14.804 -23.552 -4.933 1.00 44.30 O ATOM 395 CB HIS A 26 16.668 -26.050 -4.264 1.00 14.01 C ATOM 396 CG HIS A 26 16.452 -27.135 -3.254 1.00 51.20 C ATOM 397 ND1 HIS A 26 16.043 -28.407 -3.592 1.00 73.43 N ATOM 398 CD2 HIS A 26 16.593 -27.132 -1.908 1.00 13.22 C ATOM 399 CE1 HIS A 26 15.939 -29.140 -2.498 1.00 4.23 C ATOM 400 NE2 HIS A 26 16.268 -28.389 -1.462 1.00 21.33 N ATOM 0 H HIS A 26 16.530 -27.081 -6.527 1.00 51.42 H new ATOM 0 HA HIS A 26 14.559 -26.099 -4.674 1.00 30.33 H new ATOM 0 HB2 HIS A 26 17.551 -26.288 -4.858 1.00 14.01 H new ATOM 0 HB3 HIS A 26 16.877 -25.116 -3.743 1.00 14.01 H new ATOM 0 HD2 HIS A 26 16.903 -26.296 -1.298 1.00 13.22 H new ATOM 0 HE1 HIS A 26 15.637 -30.176 -2.457 1.00 4.23 H new ATOM 0 HE2 HIS A 26 16.279 -28.694 -0.489 1.00 21.33 H new ATOM 408 N THR A 27 16.002 -24.065 -6.768 1.00 1.22 N ATOM 409 CA THR A 27 16.001 -22.701 -7.283 1.00 24.41 C ATOM 410 C THR A 27 14.583 -22.221 -7.565 1.00 74.14 C ATOM 411 O THR A 27 14.306 -21.023 -7.531 1.00 14.54 O ATOM 412 CB THR A 27 16.836 -22.588 -8.572 1.00 41.35 C ATOM 413 OG1 THR A 27 18.160 -23.083 -8.344 1.00 42.33 O ATOM 414 CG2 THR A 27 16.904 -21.144 -9.048 1.00 32.22 C ATOM 0 H THR A 27 16.497 -24.737 -7.354 1.00 1.22 H new ATOM 0 HA THR A 27 16.447 -22.071 -6.513 1.00 24.41 H new ATOM 0 HB THR A 27 16.353 -23.187 -9.344 1.00 41.35 H new ATOM 0 HG1 THR A 27 18.684 -23.009 -9.169 1.00 42.33 H new ATOM 0 HG21 THR A 27 17.499 -21.089 -9.960 1.00 32.22 H new ATOM 0 HG22 THR A 27 15.897 -20.779 -9.249 1.00 32.22 H new ATOM 0 HG23 THR A 27 17.365 -20.528 -8.276 1.00 32.22 H new ATOM 422 N GLN A 28 13.688 -23.164 -7.844 1.00 41.22 N ATOM 423 CA GLN A 28 12.297 -22.835 -8.133 1.00 2.03 C ATOM 424 C GLN A 28 11.556 -22.440 -6.860 1.00 32.34 C ATOM 425 O GLN A 28 10.584 -21.687 -6.904 1.00 41.40 O ATOM 426 CB GLN A 28 11.598 -24.022 -8.797 1.00 73.01 C ATOM 427 CG GLN A 28 10.123 -23.781 -9.075 1.00 72.15 C ATOM 428 CD GLN A 28 9.441 -24.986 -9.693 1.00 60.11 C ATOM 429 OE1 GLN A 28 9.091 -24.978 -10.874 1.00 21.43 O ATOM 430 NE2 GLN A 28 9.249 -26.031 -8.896 1.00 53.24 N ATOM 0 H GLN A 28 13.901 -24.161 -7.876 1.00 41.22 H new ATOM 0 HA GLN A 28 12.285 -21.986 -8.817 1.00 2.03 H new ATOM 0 HB2 GLN A 28 12.103 -24.252 -9.735 1.00 73.01 H new ATOM 0 HB3 GLN A 28 11.700 -24.898 -8.156 1.00 73.01 H new ATOM 0 HG2 GLN A 28 9.619 -23.521 -8.144 1.00 72.15 H new ATOM 0 HG3 GLN A 28 10.018 -22.926 -9.743 1.00 72.15 H new ATOM 0 HE21 GLN A 28 9.555 -25.994 -7.924 1.00 53.24 H new ATOM 0 HE22 GLN A 28 8.795 -26.871 -9.256 1.00 53.24 H new ATOM 439 N ALA A 29 12.021 -22.955 -5.726 1.00 70.22 N ATOM 440 CA ALA A 29 11.403 -22.655 -4.441 1.00 30.24 C ATOM 441 C ALA A 29 11.869 -21.304 -3.909 1.00 65.12 C ATOM 442 O ALA A 29 11.057 -20.424 -3.628 1.00 31.12 O ATOM 443 CB ALA A 29 11.713 -23.755 -3.436 1.00 63.23 C ATOM 0 H ALA A 29 12.824 -23.582 -5.672 1.00 70.22 H new ATOM 0 HA ALA A 29 10.324 -22.606 -4.588 1.00 30.24 H new ATOM 0 HB1 ALA A 29 11.245 -23.517 -2.481 1.00 63.23 H new ATOM 0 HB2 ALA A 29 11.324 -24.704 -3.804 1.00 63.23 H new ATOM 0 HB3 ALA A 29 12.792 -23.832 -3.302 1.00 63.23 H new ATOM 449 N GLU A 30 13.183 -21.148 -3.774 1.00 53.21 N ATOM 450 CA GLU A 30 13.756 -19.904 -3.275 1.00 11.54 C ATOM 451 C GLU A 30 13.376 -18.730 -4.174 1.00 24.34 C ATOM 452 O GLU A 30 13.310 -17.587 -3.725 1.00 43.43 O ATOM 453 CB GLU A 30 15.279 -20.018 -3.183 1.00 31.20 C ATOM 454 CG GLU A 30 15.943 -20.380 -4.501 1.00 55.42 C ATOM 455 CD GLU A 30 17.357 -20.895 -4.320 1.00 42.33 C ATOM 456 OE1 GLU A 30 17.732 -21.206 -3.170 1.00 40.13 O ATOM 457 OE2 GLU A 30 18.089 -20.986 -5.328 1.00 22.33 O ATOM 0 H GLU A 30 13.869 -21.867 -4.003 1.00 53.21 H new ATOM 0 HA GLU A 30 13.352 -19.722 -2.279 1.00 11.54 H new ATOM 0 HB2 GLU A 30 15.685 -19.070 -2.829 1.00 31.20 H new ATOM 0 HB3 GLU A 30 15.534 -20.772 -2.438 1.00 31.20 H new ATOM 0 HG2 GLU A 30 15.346 -21.138 -5.008 1.00 55.42 H new ATOM 0 HG3 GLU A 30 15.960 -19.503 -5.148 1.00 55.42 H new ATOM 464 N GLY A 31 13.128 -19.024 -5.447 1.00 4.43 N ATOM 465 CA GLY A 31 12.760 -17.984 -6.389 1.00 54.33 C ATOM 466 C GLY A 31 11.384 -17.411 -6.112 1.00 33.31 C ATOM 467 O GLY A 31 11.069 -16.298 -6.533 1.00 42.04 O ATOM 0 H GLY A 31 13.175 -19.963 -5.842 1.00 4.43 H new ATOM 0 HA2 GLY A 31 13.498 -17.183 -6.348 1.00 54.33 H new ATOM 0 HA3 GLY A 31 12.785 -18.389 -7.401 1.00 54.33 H new ATOM 471 N LYS A 32 10.559 -18.174 -5.402 1.00 24.11 N ATOM 472 CA LYS A 32 9.209 -17.738 -5.068 1.00 53.24 C ATOM 473 C LYS A 32 9.213 -16.857 -3.823 1.00 24.32 C ATOM 474 O LYS A 32 8.352 -15.993 -3.657 1.00 60.32 O ATOM 475 CB LYS A 32 8.300 -18.949 -4.847 1.00 14.34 C ATOM 476 CG LYS A 32 6.819 -18.615 -4.901 1.00 33.44 C ATOM 477 CD LYS A 32 5.961 -19.839 -4.626 1.00 23.52 C ATOM 478 CE LYS A 32 5.737 -20.039 -3.135 1.00 34.32 C ATOM 479 NZ LYS A 32 6.829 -20.836 -2.511 1.00 45.41 N ATOM 0 H LYS A 32 10.803 -19.099 -5.047 1.00 24.11 H new ATOM 0 HA LYS A 32 8.826 -17.152 -5.904 1.00 53.24 H new ATOM 0 HB2 LYS A 32 8.522 -19.702 -5.603 1.00 14.34 H new ATOM 0 HB3 LYS A 32 8.529 -19.393 -3.878 1.00 14.34 H new ATOM 0 HG2 LYS A 32 6.593 -17.839 -4.169 1.00 33.44 H new ATOM 0 HG3 LYS A 32 6.572 -18.209 -5.882 1.00 33.44 H new ATOM 0 HD2 LYS A 32 5.000 -19.731 -5.128 1.00 23.52 H new ATOM 0 HD3 LYS A 32 6.442 -20.723 -5.045 1.00 23.52 H new ATOM 0 HE2 LYS A 32 5.671 -19.068 -2.644 1.00 34.32 H new ATOM 0 HE3 LYS A 32 4.783 -20.542 -2.976 1.00 34.32 H new ATOM 0 HZ1 LYS A 32 6.437 -21.423 -1.747 1.00 45.41 H new ATOM 0 HZ2 LYS A 32 7.266 -21.448 -3.229 1.00 45.41 H new ATOM 0 HZ3 LYS A 32 7.548 -20.194 -2.120 1.00 45.41 H new ATOM 493 N LYS A 33 10.189 -17.081 -2.949 1.00 44.15 N ATOM 494 CA LYS A 33 10.309 -16.307 -1.720 1.00 12.42 C ATOM 495 C LYS A 33 10.299 -14.810 -2.016 1.00 34.31 C ATOM 496 O LYS A 33 9.391 -14.091 -1.598 1.00 55.51 O ATOM 497 CB LYS A 33 11.594 -16.682 -0.979 1.00 42.01 C ATOM 498 CG LYS A 33 11.569 -18.080 -0.387 1.00 32.50 C ATOM 499 CD LYS A 33 10.952 -18.087 1.002 1.00 43.12 C ATOM 500 CE LYS A 33 11.956 -17.654 2.059 1.00 1.32 C ATOM 501 NZ LYS A 33 11.398 -17.772 3.435 1.00 44.41 N ATOM 0 H LYS A 33 10.909 -17.793 -3.070 1.00 44.15 H new ATOM 0 HA LYS A 33 9.452 -16.541 -1.089 1.00 12.42 H new ATOM 0 HB2 LYS A 33 12.436 -16.603 -1.666 1.00 42.01 H new ATOM 0 HB3 LYS A 33 11.766 -15.961 -0.180 1.00 42.01 H new ATOM 0 HG2 LYS A 33 11.002 -18.743 -1.041 1.00 32.50 H new ATOM 0 HG3 LYS A 33 12.584 -18.473 -0.337 1.00 32.50 H new ATOM 0 HD2 LYS A 33 10.090 -17.420 1.022 1.00 43.12 H new ATOM 0 HD3 LYS A 33 10.586 -19.087 1.234 1.00 43.12 H new ATOM 0 HE2 LYS A 33 12.855 -18.265 1.978 1.00 1.32 H new ATOM 0 HE3 LYS A 33 12.254 -16.622 1.875 1.00 1.32 H new ATOM 0 HZ1 LYS A 33 12.113 -17.468 4.127 1.00 44.41 H new ATOM 0 HZ2 LYS A 33 10.555 -17.169 3.520 1.00 44.41 H new ATOM 0 HZ3 LYS A 33 11.137 -18.761 3.620 1.00 44.41 H new ATOM 515 N LEU A 34 11.312 -14.348 -2.740 1.00 23.34 N ATOM 516 CA LEU A 34 11.419 -12.937 -3.093 1.00 62.03 C ATOM 517 C LEU A 34 10.325 -12.538 -4.078 1.00 61.14 C ATOM 518 O LEU A 34 9.762 -11.448 -3.988 1.00 71.15 O ATOM 519 CB LEU A 34 12.795 -12.645 -3.695 1.00 53.33 C ATOM 520 CG LEU A 34 13.917 -12.356 -2.697 1.00 74.12 C ATOM 521 CD1 LEU A 34 13.615 -11.093 -1.906 1.00 2.21 C ATOM 522 CD2 LEU A 34 14.115 -13.539 -1.761 1.00 61.31 C ATOM 0 H LEU A 34 12.071 -14.930 -3.094 1.00 23.34 H new ATOM 0 HA LEU A 34 11.295 -12.349 -2.183 1.00 62.03 H new ATOM 0 HB2 LEU A 34 13.090 -13.498 -4.306 1.00 53.33 H new ATOM 0 HB3 LEU A 34 12.702 -11.790 -4.365 1.00 53.33 H new ATOM 0 HG LEU A 34 14.841 -12.199 -3.253 1.00 74.12 H new ATOM 0 HD11 LEU A 34 14.424 -10.903 -1.201 1.00 2.21 H new ATOM 0 HD12 LEU A 34 13.524 -10.249 -2.589 1.00 2.21 H new ATOM 0 HD13 LEU A 34 12.680 -11.220 -1.360 1.00 2.21 H new ATOM 0 HD21 LEU A 34 14.917 -13.316 -1.058 1.00 61.31 H new ATOM 0 HD22 LEU A 34 13.192 -13.727 -1.212 1.00 61.31 H new ATOM 0 HD23 LEU A 34 14.377 -14.423 -2.342 1.00 61.31 H new ATOM 534 N GLY A 35 10.028 -13.431 -5.018 1.00 53.42 N ATOM 535 CA GLY A 35 9.001 -13.154 -6.005 1.00 75.03 C ATOM 536 C GLY A 35 9.564 -12.545 -7.274 1.00 3.24 C ATOM 537 O GLY A 35 9.445 -11.340 -7.499 1.00 11.42 O ATOM 0 H GLY A 35 10.480 -14.340 -5.113 1.00 53.42 H new ATOM 0 HA2 GLY A 35 8.479 -14.079 -6.250 1.00 75.03 H new ATOM 0 HA3 GLY A 35 8.263 -12.475 -5.576 1.00 75.03 H new ATOM 541 N LEU A 36 10.182 -13.378 -8.104 1.00 52.52 N ATOM 542 CA LEU A 36 10.768 -12.914 -9.357 1.00 3.32 C ATOM 543 C LEU A 36 10.407 -13.849 -10.506 1.00 50.24 C ATOM 544 O LEU A 36 9.714 -14.848 -10.314 1.00 11.14 O ATOM 545 CB LEU A 36 12.289 -12.814 -9.225 1.00 10.44 C ATOM 546 CG LEU A 36 12.819 -11.590 -8.477 1.00 15.44 C ATOM 547 CD1 LEU A 36 12.728 -11.802 -6.973 1.00 63.34 C ATOM 548 CD2 LEU A 36 14.252 -11.291 -8.890 1.00 23.12 C ATOM 0 H LEU A 36 10.290 -14.378 -7.932 1.00 52.52 H new ATOM 0 HA LEU A 36 10.362 -11.926 -9.575 1.00 3.32 H new ATOM 0 HB2 LEU A 36 12.649 -13.709 -8.718 1.00 10.44 H new ATOM 0 HB3 LEU A 36 12.722 -12.819 -10.225 1.00 10.44 H new ATOM 0 HG LEU A 36 12.200 -10.732 -8.740 1.00 15.44 H new ATOM 0 HD11 LEU A 36 13.110 -10.921 -6.458 1.00 63.34 H new ATOM 0 HD12 LEU A 36 11.688 -11.965 -6.691 1.00 63.34 H new ATOM 0 HD13 LEU A 36 13.321 -12.672 -6.692 1.00 63.34 H new ATOM 0 HD21 LEU A 36 14.612 -10.417 -8.347 1.00 23.12 H new ATOM 0 HD22 LEU A 36 14.884 -12.148 -8.658 1.00 23.12 H new ATOM 0 HD23 LEU A 36 14.288 -11.093 -9.961 1.00 23.12 H new ATOM 560 N VAL A 37 10.883 -13.519 -11.703 1.00 1.01 N ATOM 561 CA VAL A 37 10.613 -14.331 -12.884 1.00 2.25 C ATOM 562 C VAL A 37 11.908 -14.752 -13.569 1.00 3.13 C ATOM 563 O VAL A 37 12.980 -14.227 -13.270 1.00 1.01 O ATOM 564 CB VAL A 37 9.732 -13.574 -13.896 1.00 23.35 C ATOM 565 CG1 VAL A 37 8.376 -13.251 -13.287 1.00 24.13 C ATOM 566 CG2 VAL A 37 10.430 -12.307 -14.366 1.00 63.21 C ATOM 0 H VAL A 37 11.457 -12.695 -11.880 1.00 1.01 H new ATOM 0 HA VAL A 37 10.081 -15.219 -12.543 1.00 2.25 H new ATOM 0 HB VAL A 37 9.571 -14.215 -14.762 1.00 23.35 H new ATOM 0 HG11 VAL A 37 7.768 -12.716 -14.016 1.00 24.13 H new ATOM 0 HG12 VAL A 37 7.874 -14.177 -13.005 1.00 24.13 H new ATOM 0 HG13 VAL A 37 8.513 -12.628 -12.403 1.00 24.13 H new ATOM 0 HG21 VAL A 37 9.794 -11.785 -15.080 1.00 63.21 H new ATOM 0 HG22 VAL A 37 10.623 -11.659 -13.511 1.00 63.21 H new ATOM 0 HG23 VAL A 37 11.374 -12.568 -14.844 1.00 63.21 H new ATOM 576 N GLY A 38 11.801 -15.704 -14.491 1.00 4.20 N ATOM 577 CA GLY A 38 12.972 -16.180 -15.205 1.00 53.52 C ATOM 578 C GLY A 38 12.901 -17.662 -15.511 1.00 60.51 C ATOM 579 O GLY A 38 11.819 -18.207 -15.730 1.00 51.22 O ATOM 0 H GLY A 38 10.925 -16.154 -14.756 1.00 4.20 H new ATOM 0 HA2 GLY A 38 13.076 -15.624 -16.137 1.00 53.52 H new ATOM 0 HA3 GLY A 38 13.863 -15.977 -14.611 1.00 53.52 H new ATOM 583 N TRP A 39 14.057 -18.317 -15.528 1.00 15.22 N ATOM 584 CA TRP A 39 14.121 -19.746 -15.811 1.00 62.13 C ATOM 585 C TRP A 39 15.416 -20.349 -15.277 1.00 52.03 C ATOM 586 O TRP A 39 16.276 -19.637 -14.758 1.00 73.23 O ATOM 587 CB TRP A 39 14.012 -19.994 -17.317 1.00 14.23 C ATOM 588 CG TRP A 39 15.244 -19.602 -18.074 1.00 51.24 C ATOM 589 CD1 TRP A 39 16.382 -20.341 -18.226 1.00 5.40 C ATOM 590 CD2 TRP A 39 15.461 -18.376 -18.782 1.00 22.21 C ATOM 591 NE1 TRP A 39 17.295 -19.648 -18.985 1.00 54.11 N ATOM 592 CE2 TRP A 39 16.753 -18.440 -19.339 1.00 63.52 C ATOM 593 CE3 TRP A 39 14.690 -17.232 -19.001 1.00 13.14 C ATOM 594 CZ2 TRP A 39 17.288 -17.404 -20.099 1.00 4.52 C ATOM 595 CZ3 TRP A 39 15.222 -16.203 -19.754 1.00 63.54 C ATOM 596 CH2 TRP A 39 16.511 -16.295 -20.297 1.00 0.11 C ATOM 0 H TRP A 39 14.962 -17.881 -15.349 1.00 15.22 H new ATOM 0 HA TRP A 39 13.283 -20.229 -15.309 1.00 62.13 H new ATOM 0 HB2 TRP A 39 13.809 -21.051 -17.490 1.00 14.23 H new ATOM 0 HB3 TRP A 39 13.161 -19.437 -17.709 1.00 14.23 H new ATOM 0 HD1 TRP A 39 16.541 -21.325 -17.811 1.00 5.40 H new ATOM 0 HE1 TRP A 39 18.225 -19.979 -19.243 1.00 54.11 H new ATOM 0 HE3 TRP A 39 13.695 -17.153 -18.589 1.00 13.14 H new ATOM 0 HZ2 TRP A 39 18.281 -17.473 -20.518 1.00 4.52 H new ATOM 0 HZ3 TRP A 39 14.635 -15.313 -19.927 1.00 63.54 H new ATOM 0 HH2 TRP A 39 16.898 -15.475 -20.883 1.00 0.11 H new ATOM 607 N VAL A 40 15.549 -21.665 -15.408 1.00 31.11 N ATOM 608 CA VAL A 40 16.740 -22.363 -14.939 1.00 70.34 C ATOM 609 C VAL A 40 17.154 -23.459 -15.915 1.00 60.21 C ATOM 610 O VAL A 40 16.323 -24.245 -16.369 1.00 61.20 O ATOM 611 CB VAL A 40 16.515 -22.987 -13.549 1.00 74.13 C ATOM 612 CG1 VAL A 40 17.808 -23.583 -13.015 1.00 41.11 C ATOM 613 CG2 VAL A 40 15.957 -21.951 -12.585 1.00 71.10 C ATOM 0 H VAL A 40 14.847 -22.269 -15.835 1.00 31.11 H new ATOM 0 HA VAL A 40 17.535 -21.621 -14.871 1.00 70.34 H new ATOM 0 HB VAL A 40 15.786 -23.791 -13.644 1.00 74.13 H new ATOM 0 HG11 VAL A 40 17.629 -24.019 -12.032 1.00 41.11 H new ATOM 0 HG12 VAL A 40 18.161 -24.357 -13.697 1.00 41.11 H new ATOM 0 HG13 VAL A 40 18.563 -22.801 -12.933 1.00 41.11 H new ATOM 0 HG21 VAL A 40 15.804 -22.409 -11.608 1.00 71.10 H new ATOM 0 HG22 VAL A 40 16.661 -21.124 -12.492 1.00 71.10 H new ATOM 0 HG23 VAL A 40 15.006 -21.577 -12.963 1.00 71.10 H new ATOM 623 N GLN A 41 18.444 -23.505 -16.232 1.00 51.14 N ATOM 624 CA GLN A 41 18.968 -24.505 -17.155 1.00 21.11 C ATOM 625 C GLN A 41 20.488 -24.592 -17.057 1.00 74.23 C ATOM 626 O GLN A 41 21.115 -23.843 -16.310 1.00 41.13 O ATOM 627 CB GLN A 41 18.556 -24.172 -18.590 1.00 34.02 C ATOM 628 CG GLN A 41 19.058 -22.820 -19.069 1.00 2.20 C ATOM 629 CD GLN A 41 19.118 -22.722 -20.581 1.00 11.44 C ATOM 630 OE1 GLN A 41 18.230 -23.208 -21.281 1.00 53.24 O ATOM 631 NE2 GLN A 41 20.168 -22.090 -21.092 1.00 61.11 N ATOM 0 H GLN A 41 19.145 -22.862 -15.864 1.00 51.14 H new ATOM 0 HA GLN A 41 18.548 -25.472 -16.880 1.00 21.11 H new ATOM 0 HB2 GLN A 41 18.933 -24.947 -19.257 1.00 34.02 H new ATOM 0 HB3 GLN A 41 17.468 -24.192 -18.661 1.00 34.02 H new ATOM 0 HG2 GLN A 41 18.405 -22.037 -18.684 1.00 2.20 H new ATOM 0 HG3 GLN A 41 20.051 -22.639 -18.657 1.00 2.20 H new ATOM 0 HE21 GLN A 41 20.881 -21.702 -20.474 1.00 61.11 H new ATOM 0 HE22 GLN A 41 20.262 -21.992 -22.103 1.00 61.11 H new ATOM 640 N ASN A 42 21.073 -25.513 -17.817 1.00 54.52 N ATOM 641 CA ASN A 42 22.519 -25.698 -17.815 1.00 61.34 C ATOM 642 C ASN A 42 23.092 -25.519 -19.218 1.00 23.40 C ATOM 643 O ASN A 42 22.356 -25.507 -20.205 1.00 42.52 O ATOM 644 CB ASN A 42 22.875 -27.087 -17.280 1.00 42.31 C ATOM 645 CG ASN A 42 22.218 -28.199 -18.074 1.00 51.35 C ATOM 646 OD1 ASN A 42 21.042 -28.505 -17.879 1.00 13.04 O ATOM 647 ND2 ASN A 42 22.977 -28.809 -18.977 1.00 31.41 N ATOM 0 H ASN A 42 20.568 -26.142 -18.441 1.00 54.52 H new ATOM 0 HA ASN A 42 22.957 -24.942 -17.164 1.00 61.34 H new ATOM 0 HB2 ASN A 42 23.957 -27.217 -17.305 1.00 42.31 H new ATOM 0 HB3 ASN A 42 22.570 -27.160 -16.236 1.00 42.31 H new ATOM 0 HD21 ASN A 42 22.589 -29.564 -19.543 1.00 31.41 H new ATOM 0 HD22 ASN A 42 23.947 -28.522 -19.105 1.00 31.41 H new ATOM 654 N THR A 43 24.412 -25.382 -19.299 1.00 42.10 N ATOM 655 CA THR A 43 25.085 -25.203 -20.579 1.00 72.35 C ATOM 656 C THR A 43 25.785 -26.485 -21.016 1.00 5.20 C ATOM 657 O THR A 43 25.821 -27.468 -20.275 1.00 54.53 O ATOM 658 CB THR A 43 26.118 -24.062 -20.517 1.00 31.50 C ATOM 659 OG1 THR A 43 27.133 -24.373 -19.556 1.00 12.23 O ATOM 660 CG2 THR A 43 25.449 -22.746 -20.149 1.00 64.43 C ATOM 0 H THR A 43 25.036 -25.392 -18.492 1.00 42.10 H new ATOM 0 HA THR A 43 24.316 -24.946 -21.307 1.00 72.35 H new ATOM 0 HB THR A 43 26.571 -23.957 -21.503 1.00 31.50 H new ATOM 0 HG1 THR A 43 27.355 -23.568 -19.042 1.00 12.23 H new ATOM 0 HG21 THR A 43 26.198 -21.955 -20.111 1.00 64.43 H new ATOM 0 HG22 THR A 43 24.697 -22.498 -20.898 1.00 64.43 H new ATOM 0 HG23 THR A 43 24.972 -22.841 -19.174 1.00 64.43 H new ATOM 668 N ASP A 44 26.343 -26.467 -22.222 1.00 33.42 N ATOM 669 CA ASP A 44 27.045 -27.628 -22.756 1.00 72.54 C ATOM 670 C ASP A 44 28.437 -27.751 -22.145 1.00 41.40 C ATOM 671 O ASP A 44 28.996 -28.844 -22.064 1.00 65.33 O ATOM 672 CB ASP A 44 27.150 -27.531 -24.279 1.00 75.21 C ATOM 673 CG ASP A 44 25.939 -28.114 -24.981 1.00 71.12 C ATOM 674 OD1 ASP A 44 25.757 -29.348 -24.923 1.00 71.02 O ATOM 675 OD2 ASP A 44 25.174 -27.336 -25.589 1.00 73.44 O ATOM 0 H ASP A 44 26.323 -25.662 -22.848 1.00 33.42 H new ATOM 0 HA ASP A 44 26.474 -28.519 -22.494 1.00 72.54 H new ATOM 0 HB2 ASP A 44 27.265 -26.486 -24.567 1.00 75.21 H new ATOM 0 HB3 ASP A 44 28.046 -28.054 -24.613 1.00 75.21 H new ATOM 680 N ARG A 45 28.991 -26.621 -21.717 1.00 10.10 N ATOM 681 CA ARG A 45 30.319 -26.601 -21.115 1.00 72.23 C ATOM 682 C ARG A 45 30.301 -27.257 -19.738 1.00 22.23 C ATOM 683 O ARG A 45 30.832 -28.351 -19.553 1.00 65.31 O ATOM 684 CB ARG A 45 30.829 -25.163 -21.001 1.00 32.52 C ATOM 685 CG ARG A 45 30.944 -24.450 -22.338 1.00 10.22 C ATOM 686 CD ARG A 45 32.066 -25.030 -23.184 1.00 72.44 C ATOM 687 NE ARG A 45 31.626 -26.191 -23.954 1.00 23.43 N ATOM 688 CZ ARG A 45 32.352 -26.755 -24.913 1.00 51.43 C ATOM 689 NH1 ARG A 45 33.546 -26.266 -25.219 1.00 71.34 N ATOM 690 NH2 ARG A 45 31.883 -27.809 -25.569 1.00 24.03 N ATOM 0 H ARG A 45 28.541 -25.708 -21.776 1.00 10.10 H new ATOM 0 HA ARG A 45 30.992 -27.167 -21.759 1.00 72.23 H new ATOM 0 HB2 ARG A 45 30.157 -24.598 -20.354 1.00 32.52 H new ATOM 0 HB3 ARG A 45 31.806 -25.170 -20.517 1.00 32.52 H new ATOM 0 HG2 ARG A 45 30.000 -24.532 -22.878 1.00 10.22 H new ATOM 0 HG3 ARG A 45 31.125 -23.388 -22.171 1.00 10.22 H new ATOM 0 HD2 ARG A 45 32.440 -24.265 -23.864 1.00 72.44 H new ATOM 0 HD3 ARG A 45 32.896 -25.316 -22.538 1.00 72.44 H new ATOM 0 HE ARG A 45 30.711 -26.590 -23.744 1.00 23.43 H new ATOM 0 HH11 ARG A 45 33.909 -25.455 -24.718 1.00 71.34 H new ATOM 0 HH12 ARG A 45 34.102 -26.701 -25.956 1.00 71.34 H new ATOM 0 HH21 ARG A 45 30.964 -28.187 -25.337 1.00 24.03 H new ATOM 0 HH22 ARG A 45 32.441 -28.241 -26.305 1.00 24.03 H new ATOM 704 N GLY A 46 29.686 -26.580 -18.773 1.00 4.42 N ATOM 705 CA GLY A 46 29.612 -27.112 -17.425 1.00 13.54 C ATOM 706 C GLY A 46 29.280 -26.046 -16.399 1.00 35.33 C ATOM 707 O GLY A 46 29.940 -25.941 -15.365 1.00 20.25 O ATOM 0 H GLY A 46 29.238 -25.673 -18.901 1.00 4.42 H new ATOM 0 HA2 GLY A 46 28.856 -27.896 -17.388 1.00 13.54 H new ATOM 0 HA3 GLY A 46 30.564 -27.576 -17.168 1.00 13.54 H new ATOM 711 N THR A 47 28.253 -25.251 -16.684 1.00 60.23 N ATOM 712 CA THR A 47 27.836 -24.187 -15.780 1.00 41.23 C ATOM 713 C THR A 47 26.322 -24.015 -15.795 1.00 55.53 C ATOM 714 O THR A 47 25.630 -24.581 -16.642 1.00 24.21 O ATOM 715 CB THR A 47 28.498 -22.845 -16.149 1.00 35.40 C ATOM 716 OG1 THR A 47 28.448 -22.648 -17.566 1.00 52.23 O ATOM 717 CG2 THR A 47 29.943 -22.807 -15.677 1.00 22.20 C ATOM 0 H THR A 47 27.695 -25.324 -17.534 1.00 60.23 H new ATOM 0 HA THR A 47 28.156 -24.479 -14.780 1.00 41.23 H new ATOM 0 HB THR A 47 27.949 -22.045 -15.652 1.00 35.40 H new ATOM 0 HG1 THR A 47 28.869 -21.793 -17.792 1.00 52.23 H new ATOM 0 HG21 THR A 47 30.389 -21.850 -15.949 1.00 22.20 H new ATOM 0 HG22 THR A 47 29.975 -22.928 -14.594 1.00 22.20 H new ATOM 0 HG23 THR A 47 30.501 -23.615 -16.149 1.00 22.20 H new ATOM 725 N VAL A 48 25.811 -23.228 -14.853 1.00 54.13 N ATOM 726 CA VAL A 48 24.377 -22.979 -14.759 1.00 60.45 C ATOM 727 C VAL A 48 24.064 -21.497 -14.932 1.00 33.51 C ATOM 728 O VAL A 48 24.457 -20.671 -14.109 1.00 54.23 O ATOM 729 CB VAL A 48 23.812 -23.459 -13.409 1.00 55.24 C ATOM 730 CG1 VAL A 48 22.319 -23.177 -13.325 1.00 2.41 C ATOM 731 CG2 VAL A 48 24.094 -24.940 -13.209 1.00 65.04 C ATOM 0 H VAL A 48 26.369 -22.752 -14.144 1.00 54.13 H new ATOM 0 HA VAL A 48 23.904 -23.543 -15.563 1.00 60.45 H new ATOM 0 HB VAL A 48 24.308 -22.907 -12.611 1.00 55.24 H new ATOM 0 HG11 VAL A 48 21.937 -23.523 -12.365 1.00 2.41 H new ATOM 0 HG12 VAL A 48 22.145 -22.105 -13.420 1.00 2.41 H new ATOM 0 HG13 VAL A 48 21.804 -23.701 -14.130 1.00 2.41 H new ATOM 0 HG21 VAL A 48 23.688 -25.261 -12.250 1.00 65.04 H new ATOM 0 HG22 VAL A 48 23.626 -25.511 -14.011 1.00 65.04 H new ATOM 0 HG23 VAL A 48 25.171 -25.110 -13.222 1.00 65.04 H new ATOM 741 N GLN A 49 23.353 -21.170 -16.006 1.00 45.54 N ATOM 742 CA GLN A 49 22.988 -19.786 -16.287 1.00 35.25 C ATOM 743 C GLN A 49 21.537 -19.517 -15.898 1.00 64.41 C ATOM 744 O GLN A 49 20.611 -19.995 -16.551 1.00 34.21 O ATOM 745 CB GLN A 49 23.198 -19.471 -17.769 1.00 13.05 C ATOM 746 CG GLN A 49 24.656 -19.505 -18.197 1.00 10.42 C ATOM 747 CD GLN A 49 24.853 -19.056 -19.631 1.00 64.14 C ATOM 748 OE1 GLN A 49 23.888 -18.851 -20.368 1.00 44.31 O ATOM 749 NE2 GLN A 49 26.109 -18.901 -20.036 1.00 74.31 N ATOM 0 H GLN A 49 23.018 -21.843 -16.695 1.00 45.54 H new ATOM 0 HA GLN A 49 23.632 -19.139 -15.691 1.00 35.25 H new ATOM 0 HB2 GLN A 49 22.635 -20.187 -18.368 1.00 13.05 H new ATOM 0 HB3 GLN A 49 22.788 -18.484 -17.984 1.00 13.05 H new ATOM 0 HG2 GLN A 49 25.240 -18.864 -17.536 1.00 10.42 H new ATOM 0 HG3 GLN A 49 25.041 -20.518 -18.081 1.00 10.42 H new ATOM 0 HE21 GLN A 49 26.879 -19.082 -19.392 1.00 74.31 H new ATOM 0 HE22 GLN A 49 26.303 -18.601 -20.991 1.00 74.31 H new ATOM 758 N GLY A 50 21.349 -18.749 -14.829 1.00 54.14 N ATOM 759 CA GLY A 50 20.009 -18.430 -14.372 1.00 73.42 C ATOM 760 C GLY A 50 19.669 -16.964 -14.549 1.00 51.23 C ATOM 761 O GLY A 50 20.124 -16.118 -13.780 1.00 63.00 O ATOM 0 H GLY A 50 22.100 -18.342 -14.272 1.00 54.14 H new ATOM 0 HA2 GLY A 50 19.288 -19.036 -14.921 1.00 73.42 H new ATOM 0 HA3 GLY A 50 19.914 -18.697 -13.319 1.00 73.42 H new ATOM 765 N GLN A 51 18.868 -16.662 -15.566 1.00 63.14 N ATOM 766 CA GLN A 51 18.471 -15.287 -15.843 1.00 15.21 C ATOM 767 C GLN A 51 17.377 -14.833 -14.882 1.00 54.11 C ATOM 768 O GLN A 51 16.205 -15.170 -15.055 1.00 55.01 O ATOM 769 CB GLN A 51 17.984 -15.155 -17.287 1.00 43.22 C ATOM 770 CG GLN A 51 18.143 -13.755 -17.857 1.00 40.51 C ATOM 771 CD GLN A 51 18.063 -13.728 -19.371 1.00 3.13 C ATOM 772 OE1 GLN A 51 18.983 -14.170 -20.060 1.00 51.22 O ATOM 773 NE2 GLN A 51 16.960 -13.208 -19.897 1.00 24.14 N ATOM 0 H GLN A 51 18.482 -17.351 -16.211 1.00 63.14 H new ATOM 0 HA GLN A 51 19.343 -14.648 -15.701 1.00 15.21 H new ATOM 0 HB2 GLN A 51 18.534 -15.858 -17.913 1.00 43.22 H new ATOM 0 HB3 GLN A 51 16.933 -15.441 -17.335 1.00 43.22 H new ATOM 0 HG2 GLN A 51 17.368 -13.109 -17.445 1.00 40.51 H new ATOM 0 HG3 GLN A 51 19.102 -13.345 -17.540 1.00 40.51 H new ATOM 0 HE21 GLN A 51 16.223 -12.853 -19.288 1.00 24.14 H new ATOM 0 HE22 GLN A 51 16.850 -13.163 -20.910 1.00 24.14 H new ATOM 782 N LEU A 52 17.766 -14.067 -13.869 1.00 43.12 N ATOM 783 CA LEU A 52 16.819 -13.566 -12.880 1.00 34.45 C ATOM 784 C LEU A 52 16.361 -12.154 -13.229 1.00 44.21 C ATOM 785 O LEU A 52 17.176 -11.293 -13.561 1.00 15.44 O ATOM 786 CB LEU A 52 17.451 -13.580 -11.487 1.00 34.14 C ATOM 787 CG LEU A 52 16.553 -13.119 -10.338 1.00 32.43 C ATOM 788 CD1 LEU A 52 15.316 -14.000 -10.240 1.00 45.44 C ATOM 789 CD2 LEU A 52 17.321 -13.129 -9.024 1.00 50.50 C ATOM 0 H LEU A 52 18.732 -13.779 -13.711 1.00 43.12 H new ATOM 0 HA LEU A 52 15.948 -14.221 -12.884 1.00 34.45 H new ATOM 0 HB2 LEU A 52 17.789 -14.594 -11.273 1.00 34.14 H new ATOM 0 HB3 LEU A 52 18.337 -12.946 -11.506 1.00 34.14 H new ATOM 0 HG LEU A 52 16.232 -12.097 -10.541 1.00 32.43 H new ATOM 0 HD11 LEU A 52 14.689 -13.657 -9.417 1.00 45.44 H new ATOM 0 HD12 LEU A 52 14.754 -13.943 -11.172 1.00 45.44 H new ATOM 0 HD13 LEU A 52 15.618 -15.032 -10.060 1.00 45.44 H new ATOM 0 HD21 LEU A 52 16.667 -12.798 -8.218 1.00 50.50 H new ATOM 0 HD22 LEU A 52 17.672 -14.140 -8.815 1.00 50.50 H new ATOM 0 HD23 LEU A 52 18.176 -12.456 -9.097 1.00 50.50 H new ATOM 801 N GLN A 53 15.055 -11.924 -13.150 1.00 53.24 N ATOM 802 CA GLN A 53 14.490 -10.615 -13.457 1.00 41.13 C ATOM 803 C GLN A 53 13.550 -10.154 -12.348 1.00 42.12 C ATOM 804 O GLN A 53 12.604 -10.855 -11.991 1.00 42.23 O ATOM 805 CB GLN A 53 13.742 -10.659 -14.791 1.00 11.32 C ATOM 806 CG GLN A 53 13.779 -9.344 -15.553 1.00 5.12 C ATOM 807 CD GLN A 53 14.753 -9.370 -16.714 1.00 63.24 C ATOM 808 OE1 GLN A 53 14.403 -9.018 -17.841 1.00 43.31 O ATOM 809 NE2 GLN A 53 15.984 -9.789 -16.446 1.00 24.03 N ATOM 0 H GLN A 53 14.368 -12.626 -12.876 1.00 53.24 H new ATOM 0 HA GLN A 53 15.311 -9.902 -13.532 1.00 41.13 H new ATOM 0 HB2 GLN A 53 14.173 -11.443 -15.414 1.00 11.32 H new ATOM 0 HB3 GLN A 53 12.703 -10.933 -14.607 1.00 11.32 H new ATOM 0 HG2 GLN A 53 12.781 -9.117 -15.926 1.00 5.12 H new ATOM 0 HG3 GLN A 53 14.055 -8.540 -14.870 1.00 5.12 H new ATOM 0 HE21 GLN A 53 16.231 -10.071 -15.498 1.00 24.03 H new ATOM 0 HE22 GLN A 53 16.682 -9.828 -17.188 1.00 24.03 H new ATOM 818 N GLY A 54 13.818 -8.970 -11.806 1.00 50.31 N ATOM 819 CA GLY A 54 12.987 -8.436 -10.743 1.00 4.24 C ATOM 820 C GLY A 54 13.446 -7.067 -10.280 1.00 41.03 C ATOM 821 O GLY A 54 14.409 -6.503 -10.801 1.00 14.31 O ATOM 0 H GLY A 54 14.596 -8.371 -12.084 1.00 50.31 H new ATOM 0 HA2 GLY A 54 11.956 -8.372 -11.090 1.00 4.24 H new ATOM 0 HA3 GLY A 54 12.997 -9.124 -9.898 1.00 4.24 H new ATOM 825 N PRO A 55 12.747 -6.511 -9.280 1.00 55.33 N ATOM 826 CA PRO A 55 13.069 -5.192 -8.727 1.00 34.02 C ATOM 827 C PRO A 55 14.375 -5.197 -7.941 1.00 44.51 C ATOM 828 O PRO A 55 14.738 -6.201 -7.327 1.00 52.42 O ATOM 829 CB PRO A 55 11.887 -4.899 -7.798 1.00 44.24 C ATOM 830 CG PRO A 55 11.362 -6.240 -7.419 1.00 21.24 C ATOM 831 CD PRO A 55 11.588 -7.126 -8.612 1.00 74.43 C ATOM 0 HA PRO A 55 13.210 -4.445 -9.509 1.00 34.02 H new ATOM 0 HB2 PRO A 55 12.203 -4.335 -6.920 1.00 44.24 H new ATOM 0 HB3 PRO A 55 11.126 -4.304 -8.302 1.00 44.24 H new ATOM 0 HG2 PRO A 55 11.879 -6.628 -6.541 1.00 21.24 H new ATOM 0 HG3 PRO A 55 10.303 -6.187 -7.167 1.00 21.24 H new ATOM 0 HD2 PRO A 55 11.794 -8.154 -8.315 1.00 74.43 H new ATOM 0 HD3 PRO A 55 10.715 -7.152 -9.264 1.00 74.43 H new ATOM 839 N ILE A 56 15.078 -4.069 -7.964 1.00 61.11 N ATOM 840 CA ILE A 56 16.344 -3.944 -7.252 1.00 51.22 C ATOM 841 C ILE A 56 16.180 -4.287 -5.775 1.00 64.35 C ATOM 842 O ILE A 56 17.132 -4.706 -5.116 1.00 75.41 O ATOM 843 CB ILE A 56 16.921 -2.521 -7.376 1.00 31.31 C ATOM 844 CG1 ILE A 56 18.346 -2.476 -6.822 1.00 4.43 C ATOM 845 CG2 ILE A 56 16.032 -1.524 -6.648 1.00 52.14 C ATOM 846 CD1 ILE A 56 19.176 -1.340 -7.380 1.00 34.32 C ATOM 0 H ILE A 56 14.792 -3.229 -8.468 1.00 61.11 H new ATOM 0 HA ILE A 56 17.036 -4.650 -7.712 1.00 51.22 H new ATOM 0 HB ILE A 56 16.952 -2.247 -8.431 1.00 31.31 H new ATOM 0 HG12 ILE A 56 18.303 -2.384 -5.737 1.00 4.43 H new ATOM 0 HG13 ILE A 56 18.843 -3.421 -7.043 1.00 4.43 H new ATOM 0 HG21 ILE A 56 16.453 -0.523 -6.745 1.00 52.14 H new ATOM 0 HG22 ILE A 56 15.033 -1.541 -7.084 1.00 52.14 H new ATOM 0 HG23 ILE A 56 15.972 -1.792 -5.593 1.00 52.14 H new ATOM 0 HD11 ILE A 56 20.174 -1.370 -6.943 1.00 34.32 H new ATOM 0 HD12 ILE A 56 19.251 -1.442 -8.463 1.00 34.32 H new ATOM 0 HD13 ILE A 56 18.702 -0.389 -7.137 1.00 34.32 H new ATOM 858 N SER A 57 14.967 -4.108 -5.263 1.00 22.43 N ATOM 859 CA SER A 57 14.679 -4.398 -3.863 1.00 13.41 C ATOM 860 C SER A 57 14.769 -5.896 -3.588 1.00 13.52 C ATOM 861 O SER A 57 15.044 -6.317 -2.464 1.00 65.45 O ATOM 862 CB SER A 57 13.287 -3.882 -3.490 1.00 5.22 C ATOM 863 OG SER A 57 12.972 -4.195 -2.144 1.00 55.53 O ATOM 0 H SER A 57 14.168 -3.764 -5.796 1.00 22.43 H new ATOM 0 HA SER A 57 15.424 -3.889 -3.251 1.00 13.41 H new ATOM 0 HB2 SER A 57 13.245 -2.803 -3.635 1.00 5.22 H new ATOM 0 HB3 SER A 57 12.542 -4.322 -4.153 1.00 5.22 H new ATOM 0 HG SER A 57 12.079 -3.854 -1.929 1.00 55.53 H new ATOM 869 N LYS A 58 14.534 -6.696 -4.622 1.00 50.33 N ATOM 870 CA LYS A 58 14.589 -8.147 -4.495 1.00 61.25 C ATOM 871 C LYS A 58 15.890 -8.695 -5.074 1.00 11.11 C ATOM 872 O LYS A 58 16.425 -9.692 -4.589 1.00 43.13 O ATOM 873 CB LYS A 58 13.394 -8.787 -5.205 1.00 33.53 C ATOM 874 CG LYS A 58 12.165 -8.924 -4.323 1.00 13.23 C ATOM 875 CD LYS A 58 11.420 -7.605 -4.196 1.00 71.44 C ATOM 876 CE LYS A 58 10.511 -7.593 -2.977 1.00 24.14 C ATOM 877 NZ LYS A 58 11.243 -7.189 -1.744 1.00 21.50 N ATOM 0 H LYS A 58 14.303 -6.363 -5.558 1.00 50.33 H new ATOM 0 HA LYS A 58 14.550 -8.396 -3.434 1.00 61.25 H new ATOM 0 HB2 LYS A 58 13.138 -8.189 -6.080 1.00 33.53 H new ATOM 0 HB3 LYS A 58 13.683 -9.774 -5.567 1.00 33.53 H new ATOM 0 HG2 LYS A 58 11.500 -9.680 -4.739 1.00 13.23 H new ATOM 0 HG3 LYS A 58 12.463 -9.271 -3.334 1.00 13.23 H new ATOM 0 HD2 LYS A 58 12.137 -6.787 -4.125 1.00 71.44 H new ATOM 0 HD3 LYS A 58 10.828 -7.433 -5.095 1.00 71.44 H new ATOM 0 HE2 LYS A 58 9.682 -6.906 -3.149 1.00 24.14 H new ATOM 0 HE3 LYS A 58 10.080 -8.584 -2.835 1.00 24.14 H new ATOM 0 HZ1 LYS A 58 10.589 -7.193 -0.935 1.00 21.50 H new ATOM 0 HZ2 LYS A 58 12.019 -7.858 -1.566 1.00 21.50 H new ATOM 0 HZ3 LYS A 58 11.633 -6.233 -1.869 1.00 21.50 H new ATOM 891 N VAL A 59 16.394 -8.036 -6.112 1.00 44.22 N ATOM 892 CA VAL A 59 17.634 -8.455 -6.755 1.00 21.31 C ATOM 893 C VAL A 59 18.837 -8.182 -5.859 1.00 62.03 C ATOM 894 O VAL A 59 19.778 -8.974 -5.808 1.00 44.13 O ATOM 895 CB VAL A 59 17.838 -7.738 -8.103 1.00 30.52 C ATOM 896 CG1 VAL A 59 19.145 -8.175 -8.747 1.00 52.44 C ATOM 897 CG2 VAL A 59 16.662 -8.004 -9.030 1.00 72.03 C ATOM 0 H VAL A 59 15.963 -7.210 -6.526 1.00 44.22 H new ATOM 0 HA VAL A 59 17.552 -9.527 -6.932 1.00 21.31 H new ATOM 0 HB VAL A 59 17.892 -6.665 -7.920 1.00 30.52 H new ATOM 0 HG11 VAL A 59 19.272 -7.658 -9.698 1.00 52.44 H new ATOM 0 HG12 VAL A 59 19.976 -7.929 -8.086 1.00 52.44 H new ATOM 0 HG13 VAL A 59 19.124 -9.251 -8.919 1.00 52.44 H new ATOM 0 HG21 VAL A 59 16.822 -7.490 -9.978 1.00 72.03 H new ATOM 0 HG22 VAL A 59 16.575 -9.076 -9.209 1.00 72.03 H new ATOM 0 HG23 VAL A 59 15.745 -7.637 -8.569 1.00 72.03 H new ATOM 907 N ARG A 60 18.799 -7.056 -5.154 1.00 63.21 N ATOM 908 CA ARG A 60 19.887 -6.678 -4.260 1.00 41.32 C ATOM 909 C ARG A 60 20.088 -7.729 -3.173 1.00 12.15 C ATOM 910 O ARG A 60 21.195 -7.908 -2.664 1.00 61.14 O ATOM 911 CB ARG A 60 19.602 -5.317 -3.623 1.00 15.34 C ATOM 912 CG ARG A 60 20.700 -4.840 -2.687 1.00 44.10 C ATOM 913 CD ARG A 60 21.950 -4.437 -3.455 1.00 33.03 C ATOM 914 NE ARG A 60 22.836 -3.595 -2.655 1.00 73.12 N ATOM 915 CZ ARG A 60 24.021 -3.168 -3.076 1.00 61.10 C ATOM 916 NH1 ARG A 60 24.460 -3.502 -4.282 1.00 20.33 N ATOM 917 NH2 ARG A 60 24.770 -2.405 -2.290 1.00 51.23 N ATOM 0 H ARG A 60 18.027 -6.390 -5.185 1.00 63.21 H new ATOM 0 HA ARG A 60 20.802 -6.611 -4.849 1.00 41.32 H new ATOM 0 HB2 ARG A 60 19.463 -4.578 -4.412 1.00 15.34 H new ATOM 0 HB3 ARG A 60 18.664 -5.373 -3.070 1.00 15.34 H new ATOM 0 HG2 ARG A 60 20.340 -3.992 -2.104 1.00 44.10 H new ATOM 0 HG3 ARG A 60 20.946 -5.632 -1.979 1.00 44.10 H new ATOM 0 HD2 ARG A 60 22.487 -5.332 -3.769 1.00 33.03 H new ATOM 0 HD3 ARG A 60 21.663 -3.903 -4.361 1.00 33.03 H new ATOM 0 HE ARG A 60 22.528 -3.320 -1.722 1.00 73.12 H new ATOM 0 HH11 ARG A 60 23.887 -4.088 -4.889 1.00 20.33 H new ATOM 0 HH12 ARG A 60 25.371 -3.173 -4.603 1.00 20.33 H new ATOM 0 HH21 ARG A 60 24.436 -2.146 -1.362 1.00 51.23 H new ATOM 0 HH22 ARG A 60 25.680 -2.077 -2.614 1.00 51.23 H new ATOM 931 N HIS A 61 19.009 -8.421 -2.819 1.00 63.25 N ATOM 932 CA HIS A 61 19.067 -9.455 -1.792 1.00 11.20 C ATOM 933 C HIS A 61 19.355 -10.820 -2.410 1.00 13.30 C ATOM 934 O HIS A 61 20.028 -11.655 -1.807 1.00 42.12 O ATOM 935 CB HIS A 61 17.753 -9.502 -1.012 1.00 73.00 C ATOM 936 CG HIS A 61 17.689 -8.518 0.115 1.00 4.22 C ATOM 937 ND1 HIS A 61 18.468 -7.381 0.166 1.00 24.24 N ATOM 938 CD2 HIS A 61 16.932 -8.504 1.237 1.00 23.21 C ATOM 939 CE1 HIS A 61 18.194 -6.712 1.272 1.00 45.11 C ATOM 940 NE2 HIS A 61 17.265 -7.372 1.939 1.00 1.12 N ATOM 0 H HIS A 61 18.085 -8.284 -3.228 1.00 63.25 H new ATOM 0 HA HIS A 61 19.879 -9.208 -1.108 1.00 11.20 H new ATOM 0 HB2 HIS A 61 16.927 -9.312 -1.697 1.00 73.00 H new ATOM 0 HB3 HIS A 61 17.612 -10.507 -0.614 1.00 73.00 H new ATOM 0 HD2 HIS A 61 16.202 -9.245 1.526 1.00 23.21 H new ATOM 0 HE1 HIS A 61 18.652 -5.783 1.578 1.00 45.11 H new ATOM 0 HE2 HIS A 61 16.860 -7.087 2.831 1.00 1.12 H new ATOM 948 N MET A 62 18.839 -11.039 -3.615 1.00 41.12 N ATOM 949 CA MET A 62 19.042 -12.303 -4.314 1.00 54.53 C ATOM 950 C MET A 62 20.514 -12.505 -4.655 1.00 65.23 C ATOM 951 O MET A 62 21.020 -13.627 -4.620 1.00 14.11 O ATOM 952 CB MET A 62 18.200 -12.344 -5.591 1.00 60.03 C ATOM 953 CG MET A 62 16.800 -12.896 -5.378 1.00 54.35 C ATOM 954 SD MET A 62 16.772 -14.695 -5.264 1.00 10.15 S ATOM 955 CE MET A 62 15.044 -15.029 -5.597 1.00 1.11 C ATOM 0 H MET A 62 18.278 -10.359 -4.127 1.00 41.12 H new ATOM 0 HA MET A 62 18.727 -13.110 -3.653 1.00 54.53 H new ATOM 0 HB2 MET A 62 18.126 -11.336 -6.000 1.00 60.03 H new ATOM 0 HB3 MET A 62 18.713 -12.953 -6.335 1.00 60.03 H new ATOM 0 HG2 MET A 62 16.381 -12.472 -4.465 1.00 54.35 H new ATOM 0 HG3 MET A 62 16.159 -12.578 -6.201 1.00 54.35 H new ATOM 0 HE1 MET A 62 14.624 -15.620 -4.783 1.00 1.11 H new ATOM 0 HE2 MET A 62 14.501 -14.088 -5.680 1.00 1.11 H new ATOM 0 HE3 MET A 62 14.954 -15.583 -6.531 1.00 1.11 H new ATOM 965 N GLN A 63 21.197 -11.413 -4.985 1.00 74.34 N ATOM 966 CA GLN A 63 22.611 -11.473 -5.334 1.00 23.14 C ATOM 967 C GLN A 63 23.451 -11.886 -4.129 1.00 43.24 C ATOM 968 O GLN A 63 24.444 -12.600 -4.269 1.00 52.42 O ATOM 969 CB GLN A 63 23.086 -10.118 -5.861 1.00 60.24 C ATOM 970 CG GLN A 63 22.866 -8.974 -4.885 1.00 53.11 C ATOM 971 CD GLN A 63 23.415 -7.657 -5.396 1.00 53.45 C ATOM 972 OE1 GLN A 63 22.947 -7.125 -6.404 1.00 61.21 O ATOM 973 NE2 GLN A 63 24.413 -7.122 -4.703 1.00 14.43 N ATOM 0 H GLN A 63 20.794 -10.477 -5.018 1.00 74.34 H new ATOM 0 HA GLN A 63 22.735 -12.222 -6.116 1.00 23.14 H new ATOM 0 HB2 GLN A 63 24.148 -10.182 -6.099 1.00 60.24 H new ATOM 0 HB3 GLN A 63 22.564 -9.896 -6.792 1.00 60.24 H new ATOM 0 HG2 GLN A 63 21.799 -8.867 -4.691 1.00 53.11 H new ATOM 0 HG3 GLN A 63 23.340 -9.216 -3.934 1.00 53.11 H new ATOM 0 HE21 GLN A 63 24.770 -7.597 -3.874 1.00 14.43 H new ATOM 0 HE22 GLN A 63 24.823 -6.236 -5.000 1.00 14.43 H new ATOM 982 N GLU A 64 23.046 -11.431 -2.948 1.00 4.03 N ATOM 983 CA GLU A 64 23.764 -11.753 -1.720 1.00 13.34 C ATOM 984 C GLU A 64 23.103 -12.921 -0.994 1.00 22.40 C ATOM 985 O GLU A 64 23.186 -13.033 0.229 1.00 3.11 O ATOM 986 CB GLU A 64 23.817 -10.531 -0.799 1.00 63.52 C ATOM 987 CG GLU A 64 24.667 -9.396 -1.344 1.00 1.31 C ATOM 988 CD GLU A 64 26.115 -9.486 -0.902 1.00 32.42 C ATOM 989 OE1 GLU A 64 26.354 -9.808 0.281 1.00 61.50 O ATOM 990 OE2 GLU A 64 27.008 -9.235 -1.737 1.00 72.25 O ATOM 0 H GLU A 64 22.226 -10.839 -2.815 1.00 4.03 H new ATOM 0 HA GLU A 64 24.780 -12.042 -1.988 1.00 13.34 H new ATOM 0 HB2 GLU A 64 22.803 -10.167 -0.633 1.00 63.52 H new ATOM 0 HB3 GLU A 64 24.210 -10.834 0.171 1.00 63.52 H new ATOM 0 HG2 GLU A 64 24.622 -9.405 -2.433 1.00 1.31 H new ATOM 0 HG3 GLU A 64 24.249 -8.444 -1.015 1.00 1.31 H new ATOM 997 N TRP A 65 22.448 -13.789 -1.757 1.00 14.34 N ATOM 998 CA TRP A 65 21.772 -14.949 -1.187 1.00 10.01 C ATOM 999 C TRP A 65 22.128 -16.217 -1.954 1.00 72.45 C ATOM 1000 O TRP A 65 22.363 -17.270 -1.359 1.00 54.12 O ATOM 1001 CB TRP A 65 20.257 -14.739 -1.198 1.00 71.23 C ATOM 1002 CG TRP A 65 19.510 -15.756 -0.390 1.00 22.53 C ATOM 1003 CD1 TRP A 65 19.471 -17.105 -0.603 1.00 4.12 C ATOM 1004 CD2 TRP A 65 18.694 -15.506 0.760 1.00 72.24 C ATOM 1005 NE1 TRP A 65 18.680 -17.708 0.345 1.00 51.02 N ATOM 1006 CE2 TRP A 65 18.192 -16.749 1.193 1.00 71.24 C ATOM 1007 CE3 TRP A 65 18.340 -14.354 1.466 1.00 13.12 C ATOM 1008 CZ2 TRP A 65 17.355 -16.869 2.299 1.00 73.04 C ATOM 1009 CZ3 TRP A 65 17.508 -14.474 2.563 1.00 24.45 C ATOM 1010 CH2 TRP A 65 17.024 -15.724 2.972 1.00 61.33 C ATOM 0 H TRP A 65 22.371 -13.712 -2.771 1.00 14.34 H new ATOM 0 HA TRP A 65 22.108 -15.064 -0.156 1.00 10.01 H new ATOM 0 HB2 TRP A 65 20.033 -13.744 -0.813 1.00 71.23 H new ATOM 0 HB3 TRP A 65 19.901 -14.771 -2.228 1.00 71.23 H new ATOM 0 HD1 TRP A 65 19.986 -17.621 -1.399 1.00 4.12 H new ATOM 0 HE1 TRP A 65 18.487 -18.708 0.407 1.00 51.02 H new ATOM 0 HE3 TRP A 65 18.710 -13.387 1.160 1.00 13.12 H new ATOM 0 HZ2 TRP A 65 16.980 -17.831 2.615 1.00 73.04 H new ATOM 0 HZ3 TRP A 65 17.226 -13.589 3.115 1.00 24.45 H new ATOM 0 HH2 TRP A 65 16.377 -15.785 3.835 1.00 61.33 H new ATOM 1021 N LEU A 66 22.166 -16.111 -3.278 1.00 63.51 N ATOM 1022 CA LEU A 66 22.494 -17.251 -4.128 1.00 23.24 C ATOM 1023 C LEU A 66 23.998 -17.504 -4.142 1.00 64.43 C ATOM 1024 O LEU A 66 24.446 -18.628 -4.369 1.00 55.04 O ATOM 1025 CB LEU A 66 21.992 -17.012 -5.552 1.00 51.44 C ATOM 1026 CG LEU A 66 20.489 -17.186 -5.772 1.00 52.53 C ATOM 1027 CD1 LEU A 66 20.124 -16.893 -7.219 1.00 54.13 C ATOM 1028 CD2 LEU A 66 20.052 -18.590 -5.384 1.00 30.53 C ATOM 0 H LEU A 66 21.974 -15.248 -3.786 1.00 63.51 H new ATOM 0 HA LEU A 66 22.000 -18.132 -3.719 1.00 23.24 H new ATOM 0 HB2 LEU A 66 22.267 -16.000 -5.848 1.00 51.44 H new ATOM 0 HB3 LEU A 66 22.518 -17.694 -6.220 1.00 51.44 H new ATOM 0 HG LEU A 66 19.963 -16.475 -5.135 1.00 52.53 H new ATOM 0 HD11 LEU A 66 19.050 -17.022 -7.357 1.00 54.13 H new ATOM 0 HD12 LEU A 66 20.401 -15.867 -7.464 1.00 54.13 H new ATOM 0 HD13 LEU A 66 20.659 -17.579 -7.875 1.00 54.13 H new ATOM 0 HD21 LEU A 66 18.979 -18.695 -5.547 1.00 30.53 H new ATOM 0 HD22 LEU A 66 20.585 -19.319 -5.994 1.00 30.53 H new ATOM 0 HD23 LEU A 66 20.278 -18.764 -4.332 1.00 30.53 H new ATOM 1040 N GLU A 67 24.773 -16.452 -3.896 1.00 71.35 N ATOM 1041 CA GLU A 67 26.227 -16.562 -3.880 1.00 71.14 C ATOM 1042 C GLU A 67 26.714 -17.148 -2.558 1.00 54.10 C ATOM 1043 O GLU A 67 27.774 -17.771 -2.494 1.00 2.41 O ATOM 1044 CB GLU A 67 26.867 -15.191 -4.110 1.00 34.23 C ATOM 1045 CG GLU A 67 26.767 -14.264 -2.910 1.00 33.53 C ATOM 1046 CD GLU A 67 27.295 -12.873 -3.201 1.00 73.24 C ATOM 1047 OE1 GLU A 67 27.560 -12.576 -4.385 1.00 61.32 O ATOM 1048 OE2 GLU A 67 27.443 -12.082 -2.247 1.00 14.10 O ATOM 0 H GLU A 67 24.418 -15.515 -3.705 1.00 71.35 H new ATOM 0 HA GLU A 67 26.524 -17.233 -4.686 1.00 71.14 H new ATOM 0 HB2 GLU A 67 27.918 -15.328 -4.366 1.00 34.23 H new ATOM 0 HB3 GLU A 67 26.389 -14.715 -4.967 1.00 34.23 H new ATOM 0 HG2 GLU A 67 25.726 -14.195 -2.595 1.00 33.53 H new ATOM 0 HG3 GLU A 67 27.324 -14.693 -2.077 1.00 33.53 H new ATOM 1055 N THR A 68 25.931 -16.943 -1.503 1.00 71.40 N ATOM 1056 CA THR A 68 26.281 -17.449 -0.182 1.00 5.32 C ATOM 1057 C THR A 68 25.518 -18.729 0.138 1.00 54.50 C ATOM 1058 O THR A 68 26.112 -19.795 0.293 1.00 63.32 O ATOM 1059 CB THR A 68 25.993 -16.405 0.914 1.00 41.13 C ATOM 1060 OG1 THR A 68 24.639 -15.950 0.813 1.00 60.04 O ATOM 1061 CG2 THR A 68 26.941 -15.221 0.796 1.00 21.02 C ATOM 0 H THR A 68 25.050 -16.430 -1.538 1.00 71.40 H new ATOM 0 HA THR A 68 27.350 -17.662 -0.199 1.00 5.32 H new ATOM 0 HB THR A 68 26.146 -16.877 1.884 1.00 41.13 H new ATOM 0 HG1 THR A 68 24.463 -15.288 1.514 1.00 60.04 H new ATOM 0 HG21 THR A 68 26.719 -14.497 1.580 1.00 21.02 H new ATOM 0 HG22 THR A 68 27.969 -15.566 0.902 1.00 21.02 H new ATOM 0 HG23 THR A 68 26.815 -14.750 -0.179 1.00 21.02 H new ATOM 1069 N ARG A 69 24.197 -18.615 0.235 1.00 70.32 N ATOM 1070 CA ARG A 69 23.352 -19.764 0.537 1.00 72.33 C ATOM 1071 C ARG A 69 23.364 -20.766 -0.614 1.00 43.24 C ATOM 1072 O ARG A 69 23.877 -20.478 -1.695 1.00 73.33 O ATOM 1073 CB ARG A 69 21.918 -19.310 0.816 1.00 31.12 C ATOM 1074 CG ARG A 69 21.827 -18.135 1.776 1.00 24.00 C ATOM 1075 CD ARG A 69 22.496 -18.449 3.105 1.00 12.34 C ATOM 1076 NE ARG A 69 21.866 -19.580 3.781 1.00 12.34 N ATOM 1077 CZ ARG A 69 22.363 -20.155 4.870 1.00 4.14 C ATOM 1078 NH1 ARG A 69 23.491 -19.707 5.404 1.00 24.22 N ATOM 1079 NH2 ARG A 69 21.732 -21.180 5.428 1.00 31.02 N ATOM 0 H ARG A 69 23.689 -17.739 0.109 1.00 70.32 H new ATOM 0 HA ARG A 69 23.751 -20.253 1.426 1.00 72.33 H new ATOM 0 HB2 ARG A 69 21.443 -19.036 -0.126 1.00 31.12 H new ATOM 0 HB3 ARG A 69 21.354 -20.148 1.226 1.00 31.12 H new ATOM 0 HG2 ARG A 69 22.298 -17.260 1.328 1.00 24.00 H new ATOM 0 HG3 ARG A 69 20.780 -17.882 1.945 1.00 24.00 H new ATOM 0 HD2 ARG A 69 23.550 -18.669 2.937 1.00 12.34 H new ATOM 0 HD3 ARG A 69 22.452 -17.571 3.749 1.00 12.34 H new ATOM 0 HE ARG A 69 20.997 -19.948 3.395 1.00 12.34 H new ATOM 0 HH11 ARG A 69 23.979 -18.919 4.978 1.00 24.22 H new ATOM 0 HH12 ARG A 69 23.871 -20.150 6.240 1.00 24.22 H new ATOM 0 HH21 ARG A 69 20.864 -21.527 5.021 1.00 31.02 H new ATOM 0 HH22 ARG A 69 22.115 -21.621 6.264 1.00 31.02 H new ATOM 1093 N GLY A 70 22.796 -21.944 -0.374 1.00 5.24 N ATOM 1094 CA GLY A 70 22.754 -22.970 -1.399 1.00 33.12 C ATOM 1095 C GLY A 70 22.971 -24.361 -0.836 1.00 41.24 C ATOM 1096 O GLY A 70 23.577 -24.522 0.223 1.00 13.52 O ATOM 0 H GLY A 70 22.364 -22.206 0.512 1.00 5.24 H new ATOM 0 HA2 GLY A 70 21.790 -22.933 -1.906 1.00 33.12 H new ATOM 0 HA3 GLY A 70 23.517 -22.762 -2.149 1.00 33.12 H new ATOM 1100 N SER A 71 22.475 -25.369 -1.546 1.00 54.23 N ATOM 1101 CA SER A 71 22.613 -26.753 -1.109 1.00 11.01 C ATOM 1102 C SER A 71 24.081 -27.113 -0.901 1.00 51.03 C ATOM 1103 O SER A 71 24.987 -26.453 -1.411 1.00 74.25 O ATOM 1104 CB SER A 71 21.984 -27.699 -2.133 1.00 60.24 C ATOM 1105 OG SER A 71 22.042 -27.149 -3.438 1.00 74.22 O ATOM 0 H SER A 71 21.974 -25.253 -2.427 1.00 54.23 H new ATOM 0 HA SER A 71 22.092 -26.861 -0.158 1.00 11.01 H new ATOM 0 HB2 SER A 71 22.504 -28.657 -2.115 1.00 60.24 H new ATOM 0 HB3 SER A 71 20.946 -27.894 -1.863 1.00 60.24 H new ATOM 0 HG SER A 71 21.144 -26.871 -3.716 1.00 74.22 H new ATOM 1111 N PRO A 72 24.323 -28.186 -0.134 1.00 3.35 N ATOM 1112 CA PRO A 72 25.679 -28.659 0.160 1.00 63.33 C ATOM 1113 C PRO A 72 26.361 -29.260 -1.065 1.00 41.30 C ATOM 1114 O PRO A 72 27.584 -29.395 -1.104 1.00 22.54 O ATOM 1115 CB PRO A 72 25.457 -29.733 1.228 1.00 51.21 C ATOM 1116 CG PRO A 72 24.065 -30.212 1.000 1.00 51.34 C ATOM 1117 CD PRO A 72 23.292 -29.019 0.507 1.00 23.40 C ATOM 0 HA PRO A 72 26.333 -27.848 0.481 1.00 63.33 H new ATOM 0 HB2 PRO A 72 26.177 -30.546 1.128 1.00 51.21 H new ATOM 0 HB3 PRO A 72 25.576 -29.324 2.231 1.00 51.21 H new ATOM 0 HG2 PRO A 72 24.045 -31.020 0.268 1.00 51.34 H new ATOM 0 HG3 PRO A 72 23.632 -30.605 1.920 1.00 51.34 H new ATOM 0 HD2 PRO A 72 22.513 -29.308 -0.199 1.00 23.40 H new ATOM 0 HD3 PRO A 72 22.801 -28.492 1.325 1.00 23.40 H new ATOM 1125 N LYS A 73 25.563 -29.618 -2.065 1.00 13.41 N ATOM 1126 CA LYS A 73 26.089 -30.202 -3.293 1.00 35.22 C ATOM 1127 C LYS A 73 26.133 -29.167 -4.412 1.00 62.25 C ATOM 1128 O LYS A 73 25.988 -29.504 -5.588 1.00 1.44 O ATOM 1129 CB LYS A 73 25.232 -31.396 -3.721 1.00 40.12 C ATOM 1130 CG LYS A 73 25.179 -32.508 -2.688 1.00 72.23 C ATOM 1131 CD LYS A 73 24.416 -33.715 -3.208 1.00 31.35 C ATOM 1132 CE LYS A 73 24.481 -34.878 -2.230 1.00 33.54 C ATOM 1133 NZ LYS A 73 24.229 -36.183 -2.902 1.00 72.10 N ATOM 0 H LYS A 73 24.548 -29.514 -2.049 1.00 13.41 H new ATOM 0 HA LYS A 73 27.106 -30.543 -3.098 1.00 35.22 H new ATOM 0 HB2 LYS A 73 24.218 -31.051 -3.923 1.00 40.12 H new ATOM 0 HB3 LYS A 73 25.624 -31.798 -4.655 1.00 40.12 H new ATOM 0 HG2 LYS A 73 26.193 -32.805 -2.419 1.00 72.23 H new ATOM 0 HG3 LYS A 73 24.703 -32.139 -1.779 1.00 72.23 H new ATOM 0 HD2 LYS A 73 23.375 -33.442 -3.382 1.00 31.35 H new ATOM 0 HD3 LYS A 73 24.830 -34.022 -4.169 1.00 31.35 H new ATOM 0 HE2 LYS A 73 25.461 -34.898 -1.754 1.00 33.54 H new ATOM 0 HE3 LYS A 73 23.746 -34.729 -1.439 1.00 33.54 H new ATOM 0 HZ1 LYS A 73 24.282 -36.950 -2.202 1.00 72.10 H new ATOM 0 HZ2 LYS A 73 23.283 -36.174 -3.335 1.00 72.10 H new ATOM 0 HZ3 LYS A 73 24.946 -36.338 -3.640 1.00 72.10 H new ATOM 1147 N SER A 74 26.336 -27.908 -4.040 1.00 43.51 N ATOM 1148 CA SER A 74 26.398 -26.823 -5.013 1.00 70.21 C ATOM 1149 C SER A 74 27.514 -25.843 -4.665 1.00 21.34 C ATOM 1150 O SER A 74 27.265 -24.663 -4.416 1.00 71.13 O ATOM 1151 CB SER A 74 25.058 -26.087 -5.074 1.00 21.23 C ATOM 1152 OG SER A 74 24.741 -25.501 -3.823 1.00 44.10 O ATOM 0 H SER A 74 26.460 -27.613 -3.071 1.00 43.51 H new ATOM 0 HA SER A 74 26.611 -27.257 -5.990 1.00 70.21 H new ATOM 0 HB2 SER A 74 25.099 -25.314 -5.841 1.00 21.23 H new ATOM 0 HB3 SER A 74 24.270 -26.783 -5.363 1.00 21.23 H new ATOM 0 HG SER A 74 25.140 -26.032 -3.102 1.00 44.10 H new ATOM 1158 N HIS A 75 28.746 -26.341 -4.648 1.00 25.31 N ATOM 1159 CA HIS A 75 29.903 -25.511 -4.330 1.00 54.44 C ATOM 1160 C HIS A 75 30.007 -24.333 -5.295 1.00 62.44 C ATOM 1161 O HIS A 75 30.097 -24.520 -6.509 1.00 52.12 O ATOM 1162 CB HIS A 75 31.184 -26.342 -4.381 1.00 64.45 C ATOM 1163 CG HIS A 75 32.273 -25.821 -3.495 1.00 11.41 C ATOM 1164 ND1 HIS A 75 33.093 -24.770 -3.849 1.00 21.13 N ATOM 1165 CD2 HIS A 75 32.673 -26.210 -2.262 1.00 10.53 C ATOM 1166 CE1 HIS A 75 33.952 -24.537 -2.872 1.00 53.43 C ATOM 1167 NE2 HIS A 75 33.718 -25.396 -1.897 1.00 73.21 N ATOM 0 H HIS A 75 28.969 -27.315 -4.851 1.00 25.31 H new ATOM 0 HA HIS A 75 29.773 -25.121 -3.320 1.00 54.44 H new ATOM 0 HB2 HIS A 75 30.953 -27.368 -4.094 1.00 64.45 H new ATOM 0 HB3 HIS A 75 31.547 -26.373 -5.408 1.00 64.45 H new ATOM 0 HD2 HIS A 75 32.250 -27.011 -1.674 1.00 10.53 H new ATOM 0 HE1 HIS A 75 34.716 -23.773 -2.871 1.00 53.43 H new ATOM 0 HE2 HIS A 75 34.230 -25.447 -1.016 1.00 73.21 H new ATOM 1175 N ILE A 76 29.994 -23.123 -4.748 1.00 3.12 N ATOM 1176 CA ILE A 76 30.088 -21.916 -5.560 1.00 61.44 C ATOM 1177 C ILE A 76 31.531 -21.434 -5.664 1.00 11.24 C ATOM 1178 O ILE A 76 31.912 -20.445 -5.036 1.00 71.34 O ATOM 1179 CB ILE A 76 29.219 -20.782 -4.986 1.00 71.03 C ATOM 1180 CG1 ILE A 76 27.773 -21.253 -4.820 1.00 14.44 C ATOM 1181 CG2 ILE A 76 29.283 -19.558 -5.887 1.00 51.14 C ATOM 1182 CD1 ILE A 76 26.891 -20.254 -4.103 1.00 1.02 C ATOM 0 H ILE A 76 29.919 -22.952 -3.745 1.00 3.12 H new ATOM 0 HA ILE A 76 29.722 -22.175 -6.554 1.00 61.44 H new ATOM 0 HB ILE A 76 29.607 -20.507 -4.005 1.00 71.03 H new ATOM 0 HG12 ILE A 76 27.351 -21.458 -5.804 1.00 14.44 H new ATOM 0 HG13 ILE A 76 27.767 -22.193 -4.268 1.00 14.44 H new ATOM 0 HG21 ILE A 76 28.664 -18.765 -5.468 1.00 51.14 H new ATOM 0 HG22 ILE A 76 30.314 -19.213 -5.959 1.00 51.14 H new ATOM 0 HG23 ILE A 76 28.917 -19.818 -6.880 1.00 51.14 H new ATOM 0 HD11 ILE A 76 25.880 -20.654 -4.021 1.00 1.02 H new ATOM 0 HD12 ILE A 76 27.289 -20.067 -3.106 1.00 1.02 H new ATOM 0 HD13 ILE A 76 26.867 -19.320 -4.665 1.00 1.02 H new ATOM 1194 N ASP A 77 32.328 -22.137 -6.460 1.00 5.11 N ATOM 1195 CA ASP A 77 33.730 -21.779 -6.648 1.00 55.23 C ATOM 1196 C ASP A 77 33.862 -20.339 -7.135 1.00 73.23 C ATOM 1197 O ASP A 77 34.822 -19.645 -6.800 1.00 54.45 O ATOM 1198 CB ASP A 77 34.392 -22.731 -7.646 1.00 14.42 C ATOM 1199 CG ASP A 77 35.903 -22.730 -7.531 1.00 3.13 C ATOM 1200 OD1 ASP A 77 36.417 -23.111 -6.458 1.00 63.31 O ATOM 1201 OD2 ASP A 77 36.572 -22.349 -8.514 1.00 5.24 O ATOM 0 H ASP A 77 32.028 -22.958 -6.986 1.00 5.11 H new ATOM 0 HA ASP A 77 34.234 -21.866 -5.686 1.00 55.23 H new ATOM 0 HB2 ASP A 77 34.019 -23.742 -7.482 1.00 14.42 H new ATOM 0 HB3 ASP A 77 34.107 -22.446 -8.659 1.00 14.42 H new ATOM 1206 N LYS A 78 32.892 -19.897 -7.929 1.00 20.12 N ATOM 1207 CA LYS A 78 32.899 -18.540 -8.463 1.00 35.32 C ATOM 1208 C LYS A 78 31.483 -18.081 -8.797 1.00 42.55 C ATOM 1209 O LYS A 78 30.773 -18.733 -9.563 1.00 4.44 O ATOM 1210 CB LYS A 78 33.779 -18.466 -9.712 1.00 61.22 C ATOM 1211 CG LYS A 78 33.896 -17.067 -10.292 1.00 24.14 C ATOM 1212 CD LYS A 78 34.850 -16.206 -9.480 1.00 54.34 C ATOM 1213 CE LYS A 78 36.301 -16.542 -9.785 1.00 43.24 C ATOM 1214 NZ LYS A 78 37.237 -15.541 -9.202 1.00 12.22 N ATOM 0 H LYS A 78 32.091 -20.459 -8.217 1.00 20.12 H new ATOM 0 HA LYS A 78 33.307 -17.877 -7.700 1.00 35.32 H new ATOM 0 HB2 LYS A 78 34.776 -18.833 -9.466 1.00 61.22 H new ATOM 0 HB3 LYS A 78 33.373 -19.133 -10.473 1.00 61.22 H new ATOM 0 HG2 LYS A 78 34.246 -17.127 -11.323 1.00 24.14 H new ATOM 0 HG3 LYS A 78 32.912 -16.598 -10.316 1.00 24.14 H new ATOM 0 HD2 LYS A 78 34.666 -15.154 -9.697 1.00 54.34 H new ATOM 0 HD3 LYS A 78 34.658 -16.351 -8.417 1.00 54.34 H new ATOM 0 HE2 LYS A 78 36.535 -17.531 -9.391 1.00 43.24 H new ATOM 0 HE3 LYS A 78 36.444 -16.587 -10.865 1.00 43.24 H new ATOM 0 HZ1 LYS A 78 38.216 -15.806 -9.432 1.00 12.22 H new ATOM 0 HZ2 LYS A 78 37.031 -14.601 -9.597 1.00 12.22 H new ATOM 0 HZ3 LYS A 78 37.119 -15.516 -8.169 1.00 12.22 H new ATOM 1228 N ALA A 79 31.080 -16.953 -8.220 1.00 61.34 N ATOM 1229 CA ALA A 79 29.751 -16.405 -8.461 1.00 1.13 C ATOM 1230 C ALA A 79 29.828 -14.937 -8.866 1.00 40.05 C ATOM 1231 O ALA A 79 30.382 -14.111 -8.142 1.00 70.40 O ATOM 1232 CB ALA A 79 28.881 -16.567 -7.223 1.00 24.42 C ATOM 0 H ALA A 79 31.655 -16.402 -7.583 1.00 61.34 H new ATOM 0 HA ALA A 79 29.300 -16.959 -9.284 1.00 1.13 H new ATOM 0 HB1 ALA A 79 27.891 -16.153 -7.417 1.00 24.42 H new ATOM 0 HB2 ALA A 79 28.790 -17.625 -6.978 1.00 24.42 H new ATOM 0 HB3 ALA A 79 29.337 -16.039 -6.386 1.00 24.42 H new ATOM 1238 N ASN A 80 29.269 -14.619 -10.030 1.00 21.33 N ATOM 1239 CA ASN A 80 29.276 -13.250 -10.532 1.00 71.34 C ATOM 1240 C ASN A 80 28.080 -13.001 -11.447 1.00 4.42 C ATOM 1241 O ASN A 80 27.594 -13.914 -12.114 1.00 40.11 O ATOM 1242 CB ASN A 80 30.577 -12.968 -11.287 1.00 32.33 C ATOM 1243 CG ASN A 80 30.720 -11.507 -11.666 1.00 22.02 C ATOM 1244 OD1 ASN A 80 30.909 -11.173 -12.836 1.00 33.42 O ATOM 1245 ND2 ASN A 80 30.632 -10.627 -10.675 1.00 34.41 N ATOM 0 H ASN A 80 28.806 -15.291 -10.642 1.00 21.33 H new ATOM 0 HA ASN A 80 29.206 -12.576 -9.679 1.00 71.34 H new ATOM 0 HB2 ASN A 80 31.424 -13.265 -10.669 1.00 32.33 H new ATOM 0 HB3 ASN A 80 30.611 -13.579 -12.189 1.00 32.33 H new ATOM 0 HD21 ASN A 80 30.722 -9.630 -10.869 1.00 34.41 H new ATOM 0 HD22 ASN A 80 30.475 -10.949 -9.720 1.00 34.41 H new ATOM 1252 N PHE A 81 27.612 -11.757 -11.473 1.00 33.43 N ATOM 1253 CA PHE A 81 26.473 -11.387 -12.305 1.00 11.22 C ATOM 1254 C PHE A 81 26.922 -10.554 -13.502 1.00 1.01 C ATOM 1255 O PHE A 81 28.051 -10.066 -13.543 1.00 54.23 O ATOM 1256 CB PHE A 81 25.446 -10.606 -11.482 1.00 50.23 C ATOM 1257 CG PHE A 81 26.004 -9.362 -10.852 1.00 30.15 C ATOM 1258 CD1 PHE A 81 26.170 -8.206 -11.597 1.00 11.12 C ATOM 1259 CD2 PHE A 81 26.363 -9.349 -9.513 1.00 61.43 C ATOM 1260 CE1 PHE A 81 26.683 -7.060 -11.019 1.00 53.43 C ATOM 1261 CE2 PHE A 81 26.876 -8.206 -8.930 1.00 71.14 C ATOM 1262 CZ PHE A 81 27.037 -7.060 -9.684 1.00 62.25 C ATOM 0 H PHE A 81 28.004 -10.989 -10.928 1.00 33.43 H new ATOM 0 HA PHE A 81 26.012 -12.303 -12.675 1.00 11.22 H new ATOM 0 HB2 PHE A 81 24.608 -10.334 -12.124 1.00 50.23 H new ATOM 0 HB3 PHE A 81 25.051 -11.254 -10.700 1.00 50.23 H new ATOM 0 HD1 PHE A 81 25.895 -8.200 -12.641 1.00 11.12 H new ATOM 0 HD2 PHE A 81 26.240 -10.242 -8.919 1.00 61.43 H new ATOM 0 HE1 PHE A 81 26.807 -6.165 -11.611 1.00 53.43 H new ATOM 0 HE2 PHE A 81 27.151 -8.209 -7.886 1.00 71.14 H new ATOM 0 HZ PHE A 81 27.439 -6.166 -9.231 1.00 62.25 H new ATOM 1272 N ASN A 82 26.030 -10.397 -14.474 1.00 73.02 N ATOM 1273 CA ASN A 82 26.334 -9.625 -15.673 1.00 52.53 C ATOM 1274 C ASN A 82 25.058 -9.080 -16.307 1.00 54.44 C ATOM 1275 O ASN A 82 23.956 -9.525 -15.990 1.00 73.22 O ATOM 1276 CB ASN A 82 27.090 -10.489 -16.684 1.00 71.11 C ATOM 1277 CG ASN A 82 27.895 -9.660 -17.666 1.00 71.01 C ATOM 1278 OD1 ASN A 82 27.586 -9.615 -18.857 1.00 62.20 O ATOM 1279 ND2 ASN A 82 28.934 -8.999 -17.170 1.00 11.25 N ATOM 0 H ASN A 82 25.091 -10.794 -14.455 1.00 73.02 H new ATOM 0 HA ASN A 82 26.963 -8.783 -15.383 1.00 52.53 H new ATOM 0 HB2 ASN A 82 27.758 -11.166 -16.151 1.00 71.11 H new ATOM 0 HB3 ASN A 82 26.379 -11.108 -17.232 1.00 71.11 H new ATOM 0 HD21 ASN A 82 29.513 -8.425 -17.783 1.00 11.25 H new ATOM 0 HD22 ASN A 82 29.153 -9.065 -16.176 1.00 11.25 H new ATOM 1286 N ASN A 83 25.216 -8.113 -17.206 1.00 11.13 N ATOM 1287 CA ASN A 83 24.077 -7.507 -17.885 1.00 55.30 C ATOM 1288 C ASN A 83 23.161 -6.802 -16.889 1.00 20.05 C ATOM 1289 O ASN A 83 21.944 -6.985 -16.912 1.00 65.03 O ATOM 1290 CB ASN A 83 23.290 -8.570 -18.654 1.00 33.23 C ATOM 1291 CG ASN A 83 22.530 -7.989 -19.831 1.00 31.25 C ATOM 1292 OD1 ASN A 83 21.299 -8.014 -19.863 1.00 25.14 O ATOM 1293 ND2 ASN A 83 23.262 -7.462 -20.805 1.00 71.53 N ATOM 0 H ASN A 83 26.122 -7.733 -17.481 1.00 11.13 H new ATOM 0 HA ASN A 83 24.458 -6.766 -18.588 1.00 55.30 H new ATOM 0 HB2 ASN A 83 23.976 -9.338 -19.011 1.00 33.23 H new ATOM 0 HB3 ASN A 83 22.589 -9.059 -17.978 1.00 33.23 H new ATOM 0 HD21 ASN A 83 22.807 -7.056 -21.622 1.00 71.53 H new ATOM 0 HD22 ASN A 83 24.280 -7.463 -20.736 1.00 71.53 H new ATOM 1300 N GLU A 84 23.756 -5.996 -16.015 1.00 14.33 N ATOM 1301 CA GLU A 84 22.993 -5.264 -15.010 1.00 41.11 C ATOM 1302 C GLU A 84 22.566 -3.898 -15.540 1.00 34.12 C ATOM 1303 O GLU A 84 23.402 -3.058 -15.871 1.00 43.12 O ATOM 1304 CB GLU A 84 23.821 -5.092 -13.735 1.00 33.14 C ATOM 1305 CG GLU A 84 23.083 -4.363 -12.624 1.00 43.11 C ATOM 1306 CD GLU A 84 23.868 -4.329 -11.327 1.00 31.41 C ATOM 1307 OE1 GLU A 84 23.786 -5.310 -10.558 1.00 10.41 O ATOM 1308 OE2 GLU A 84 24.564 -3.322 -11.081 1.00 62.04 O ATOM 0 H GLU A 84 24.762 -5.833 -15.982 1.00 14.33 H new ATOM 0 HA GLU A 84 22.098 -5.841 -14.778 1.00 41.11 H new ATOM 0 HB2 GLU A 84 24.125 -6.074 -13.374 1.00 33.14 H new ATOM 0 HB3 GLU A 84 24.732 -4.544 -13.975 1.00 33.14 H new ATOM 0 HG2 GLU A 84 22.871 -3.342 -12.943 1.00 43.11 H new ATOM 0 HG3 GLU A 84 22.123 -4.849 -12.451 1.00 43.11 H new ATOM 1315 N LYS A 85 21.257 -3.684 -15.617 1.00 54.54 N ATOM 1316 CA LYS A 85 20.715 -2.421 -16.106 1.00 4.23 C ATOM 1317 C LYS A 85 19.222 -2.319 -15.812 1.00 60.13 C ATOM 1318 O LYS A 85 18.574 -3.314 -15.485 1.00 43.34 O ATOM 1319 CB LYS A 85 20.961 -2.285 -17.610 1.00 52.11 C ATOM 1320 CG LYS A 85 20.634 -3.543 -18.396 1.00 12.11 C ATOM 1321 CD LYS A 85 20.857 -3.344 -19.886 1.00 13.34 C ATOM 1322 CE LYS A 85 19.649 -2.699 -20.549 1.00 3.24 C ATOM 1323 NZ LYS A 85 18.560 -3.684 -20.795 1.00 13.43 N ATOM 0 H LYS A 85 20.551 -4.369 -15.347 1.00 54.54 H new ATOM 0 HA LYS A 85 21.225 -1.610 -15.586 1.00 4.23 H new ATOM 0 HB2 LYS A 85 20.361 -1.460 -17.995 1.00 52.11 H new ATOM 0 HB3 LYS A 85 22.006 -2.024 -17.777 1.00 52.11 H new ATOM 0 HG2 LYS A 85 21.254 -4.366 -18.041 1.00 12.11 H new ATOM 0 HG3 LYS A 85 19.597 -3.825 -18.217 1.00 12.11 H new ATOM 0 HD2 LYS A 85 21.736 -2.719 -20.043 1.00 13.34 H new ATOM 0 HD3 LYS A 85 21.061 -4.306 -20.356 1.00 13.34 H new ATOM 0 HE2 LYS A 85 19.275 -1.894 -19.917 1.00 3.24 H new ATOM 0 HE3 LYS A 85 19.951 -2.248 -21.494 1.00 3.24 H new ATOM 0 HZ1 LYS A 85 17.755 -3.206 -21.248 1.00 13.43 H new ATOM 0 HZ2 LYS A 85 18.909 -4.439 -21.419 1.00 13.43 H new ATOM 0 HZ3 LYS A 85 18.254 -4.096 -19.891 1.00 13.43 H new ATOM 1337 N VAL A 86 18.681 -1.111 -15.933 1.00 13.04 N ATOM 1338 CA VAL A 86 17.263 -0.880 -15.683 1.00 31.22 C ATOM 1339 C VAL A 86 16.461 -0.930 -16.979 1.00 23.14 C ATOM 1340 O VAL A 86 16.964 -0.574 -18.045 1.00 73.00 O ATOM 1341 CB VAL A 86 17.028 0.479 -14.998 1.00 54.55 C ATOM 1342 CG1 VAL A 86 17.832 0.576 -13.711 1.00 33.31 C ATOM 1343 CG2 VAL A 86 17.380 1.619 -15.943 1.00 33.20 C ATOM 0 H VAL A 86 19.203 -0.277 -16.203 1.00 13.04 H new ATOM 0 HA VAL A 86 16.925 -1.676 -15.019 1.00 31.22 H new ATOM 0 HB VAL A 86 15.971 0.560 -14.744 1.00 54.55 H new ATOM 0 HG11 VAL A 86 17.652 1.543 -13.242 1.00 33.31 H new ATOM 0 HG12 VAL A 86 17.527 -0.219 -13.031 1.00 33.31 H new ATOM 0 HG13 VAL A 86 18.893 0.474 -13.937 1.00 33.31 H new ATOM 0 HG21 VAL A 86 17.208 2.572 -15.443 1.00 33.20 H new ATOM 0 HG22 VAL A 86 18.429 1.543 -16.229 1.00 33.20 H new ATOM 0 HG23 VAL A 86 16.755 1.559 -16.834 1.00 33.20 H new ATOM 1353 N ILE A 87 15.213 -1.373 -16.879 1.00 32.52 N ATOM 1354 CA ILE A 87 14.341 -1.468 -18.043 1.00 70.30 C ATOM 1355 C ILE A 87 12.900 -1.128 -17.680 1.00 14.14 C ATOM 1356 O ILE A 87 12.579 -0.901 -16.512 1.00 60.01 O ATOM 1357 CB ILE A 87 14.383 -2.877 -18.665 1.00 11.34 C ATOM 1358 CG1 ILE A 87 14.536 -3.936 -17.571 1.00 73.13 C ATOM 1359 CG2 ILE A 87 15.520 -2.978 -19.671 1.00 32.15 C ATOM 1360 CD1 ILE A 87 13.424 -3.911 -16.546 1.00 73.21 C ATOM 0 H ILE A 87 14.783 -1.672 -16.004 1.00 32.52 H new ATOM 0 HA ILE A 87 14.709 -0.747 -18.772 1.00 70.30 H new ATOM 0 HB ILE A 87 13.444 -3.056 -19.189 1.00 11.34 H new ATOM 0 HG12 ILE A 87 14.571 -4.922 -18.034 1.00 73.13 H new ATOM 0 HG13 ILE A 87 15.490 -3.788 -17.064 1.00 73.13 H new ATOM 0 HG21 ILE A 87 15.537 -3.979 -20.102 1.00 32.15 H new ATOM 0 HG22 ILE A 87 15.371 -2.244 -20.463 1.00 32.15 H new ATOM 0 HG23 ILE A 87 16.468 -2.783 -19.170 1.00 32.15 H new ATOM 0 HD11 ILE A 87 13.598 -4.688 -15.802 1.00 73.21 H new ATOM 0 HD12 ILE A 87 13.403 -2.938 -16.056 1.00 73.21 H new ATOM 0 HD13 ILE A 87 12.469 -4.089 -17.041 1.00 73.21 H new ATOM 1372 N LEU A 88 12.033 -1.096 -18.686 1.00 45.33 N ATOM 1373 CA LEU A 88 10.624 -0.785 -18.473 1.00 61.13 C ATOM 1374 C LEU A 88 10.028 -1.677 -17.389 1.00 12.53 C ATOM 1375 O LEU A 88 9.451 -1.189 -16.416 1.00 50.14 O ATOM 1376 CB LEU A 88 9.841 -0.955 -19.777 1.00 25.24 C ATOM 1377 CG LEU A 88 10.328 -0.125 -20.965 1.00 14.42 C ATOM 1378 CD1 LEU A 88 9.463 -0.386 -22.188 1.00 64.54 C ATOM 1379 CD2 LEU A 88 10.327 1.357 -20.616 1.00 74.30 C ATOM 0 H LEU A 88 12.281 -1.282 -19.658 1.00 45.33 H new ATOM 0 HA LEU A 88 10.551 0.252 -18.145 1.00 61.13 H new ATOM 0 HB2 LEU A 88 9.868 -2.007 -20.059 1.00 25.24 H new ATOM 0 HB3 LEU A 88 8.798 -0.703 -19.587 1.00 25.24 H new ATOM 0 HG LEU A 88 11.350 -0.423 -21.198 1.00 14.42 H new ATOM 0 HD11 LEU A 88 9.824 0.213 -23.024 1.00 64.54 H new ATOM 0 HD12 LEU A 88 9.513 -1.443 -22.451 1.00 64.54 H new ATOM 0 HD13 LEU A 88 8.430 -0.116 -21.968 1.00 64.54 H new ATOM 0 HD21 LEU A 88 10.676 1.933 -21.473 1.00 74.30 H new ATOM 0 HD22 LEU A 88 9.315 1.669 -20.357 1.00 74.30 H new ATOM 0 HD23 LEU A 88 10.989 1.531 -19.768 1.00 74.30 H new ATOM 1391 N LYS A 89 10.173 -2.986 -17.561 1.00 34.13 N ATOM 1392 CA LYS A 89 9.652 -3.947 -16.596 1.00 20.23 C ATOM 1393 C LYS A 89 10.012 -5.373 -17.000 1.00 20.33 C ATOM 1394 O LYS A 89 10.693 -5.592 -18.003 1.00 33.23 O ATOM 1395 CB LYS A 89 8.133 -3.808 -16.475 1.00 72.11 C ATOM 1396 CG LYS A 89 7.413 -3.815 -17.813 1.00 23.23 C ATOM 1397 CD LYS A 89 5.905 -3.771 -17.635 1.00 31.32 C ATOM 1398 CE LYS A 89 5.181 -4.126 -18.924 1.00 70.35 C ATOM 1399 NZ LYS A 89 5.302 -5.575 -19.248 1.00 3.11 N ATOM 0 H LYS A 89 10.647 -3.406 -18.360 1.00 34.13 H new ATOM 0 HA LYS A 89 10.108 -3.736 -15.629 1.00 20.23 H new ATOM 0 HB2 LYS A 89 7.750 -4.623 -15.861 1.00 72.11 H new ATOM 0 HB3 LYS A 89 7.902 -2.880 -15.952 1.00 72.11 H new ATOM 0 HG2 LYS A 89 7.735 -2.959 -18.405 1.00 23.23 H new ATOM 0 HG3 LYS A 89 7.688 -4.710 -18.371 1.00 23.23 H new ATOM 0 HD2 LYS A 89 5.610 -4.465 -16.848 1.00 31.32 H new ATOM 0 HD3 LYS A 89 5.605 -2.775 -17.310 1.00 31.32 H new ATOM 0 HE2 LYS A 89 4.128 -3.861 -18.834 1.00 70.35 H new ATOM 0 HE3 LYS A 89 5.589 -3.535 -19.744 1.00 70.35 H new ATOM 0 HZ1 LYS A 89 4.602 -5.828 -19.974 1.00 3.11 H new ATOM 0 HZ2 LYS A 89 6.258 -5.772 -19.606 1.00 3.11 H new ATOM 0 HZ3 LYS A 89 5.130 -6.138 -18.391 1.00 3.11 H new ATOM 1413 N LEU A 90 9.550 -6.340 -16.214 1.00 64.14 N ATOM 1414 CA LEU A 90 9.822 -7.746 -16.491 1.00 65.34 C ATOM 1415 C LEU A 90 9.268 -8.150 -17.854 1.00 32.23 C ATOM 1416 O LEU A 90 8.404 -7.472 -18.409 1.00 55.21 O ATOM 1417 CB LEU A 90 9.216 -8.628 -15.399 1.00 75.40 C ATOM 1418 CG LEU A 90 9.588 -8.268 -13.961 1.00 3.44 C ATOM 1419 CD1 LEU A 90 8.459 -8.632 -13.009 1.00 63.11 C ATOM 1420 CD2 LEU A 90 10.878 -8.965 -13.553 1.00 11.00 C ATOM 0 H LEU A 90 8.986 -6.176 -15.380 1.00 64.14 H new ATOM 0 HA LEU A 90 10.903 -7.886 -16.503 1.00 65.34 H new ATOM 0 HB2 LEU A 90 8.131 -8.592 -15.492 1.00 75.40 H new ATOM 0 HB3 LEU A 90 9.518 -9.659 -15.584 1.00 75.40 H new ATOM 0 HG LEU A 90 9.747 -7.191 -13.907 1.00 3.44 H new ATOM 0 HD11 LEU A 90 8.743 -8.368 -11.990 1.00 63.11 H new ATOM 0 HD12 LEU A 90 7.558 -8.086 -13.288 1.00 63.11 H new ATOM 0 HD13 LEU A 90 8.266 -9.703 -13.066 1.00 63.11 H new ATOM 0 HD21 LEU A 90 11.127 -8.697 -12.526 1.00 11.00 H new ATOM 0 HD22 LEU A 90 10.747 -10.045 -13.624 1.00 11.00 H new ATOM 0 HD23 LEU A 90 11.685 -8.653 -14.216 1.00 11.00 H new ATOM 1432 N ASP A 91 9.769 -9.260 -18.385 1.00 50.43 N ATOM 1433 CA ASP A 91 9.321 -9.756 -19.681 1.00 63.33 C ATOM 1434 C ASP A 91 8.817 -11.192 -19.568 1.00 51.45 C ATOM 1435 O ASP A 91 8.850 -11.950 -20.538 1.00 24.12 O ATOM 1436 CB ASP A 91 10.459 -9.681 -20.701 1.00 31.11 C ATOM 1437 CG ASP A 91 11.667 -10.496 -20.282 1.00 74.31 C ATOM 1438 OD1 ASP A 91 12.441 -10.014 -19.430 1.00 42.31 O ATOM 1439 OD2 ASP A 91 11.837 -11.617 -20.807 1.00 45.21 O ATOM 0 H ASP A 91 10.485 -9.833 -17.938 1.00 50.43 H new ATOM 0 HA ASP A 91 8.498 -9.126 -20.019 1.00 63.33 H new ATOM 0 HB2 ASP A 91 10.101 -10.037 -21.667 1.00 31.11 H new ATOM 0 HB3 ASP A 91 10.755 -8.641 -20.835 1.00 31.11 H new ATOM 1444 N TYR A 92 8.351 -11.558 -18.380 1.00 2.34 N ATOM 1445 CA TYR A 92 7.843 -12.903 -18.139 1.00 21.01 C ATOM 1446 C TYR A 92 6.593 -12.865 -17.265 1.00 23.12 C ATOM 1447 O TYR A 92 6.141 -11.796 -16.855 1.00 73.13 O ATOM 1448 CB TYR A 92 8.918 -13.765 -17.475 1.00 33.44 C ATOM 1449 CG TYR A 92 9.859 -14.423 -18.458 1.00 23.52 C ATOM 1450 CD1 TYR A 92 9.567 -15.668 -19.003 1.00 1.12 C ATOM 1451 CD2 TYR A 92 11.041 -13.802 -18.841 1.00 2.20 C ATOM 1452 CE1 TYR A 92 10.425 -16.273 -19.901 1.00 34.51 C ATOM 1453 CE2 TYR A 92 11.904 -14.399 -19.739 1.00 73.25 C ATOM 1454 CZ TYR A 92 11.591 -15.635 -20.266 1.00 42.04 C ATOM 1455 OH TYR A 92 12.449 -16.234 -21.161 1.00 34.03 O ATOM 0 H TYR A 92 8.314 -10.942 -17.568 1.00 2.34 H new ATOM 0 HA TYR A 92 7.578 -13.342 -19.101 1.00 21.01 H new ATOM 0 HB2 TYR A 92 9.497 -13.145 -16.790 1.00 33.44 H new ATOM 0 HB3 TYR A 92 8.434 -14.536 -16.876 1.00 33.44 H new ATOM 0 HD1 TYR A 92 8.654 -16.171 -18.720 1.00 1.12 H new ATOM 0 HD2 TYR A 92 11.290 -12.835 -18.429 1.00 2.20 H new ATOM 0 HE1 TYR A 92 10.183 -17.241 -20.315 1.00 34.51 H new ATOM 0 HE2 TYR A 92 12.818 -13.901 -20.027 1.00 73.25 H new ATOM 0 HH TYR A 92 13.325 -16.361 -20.740 1.00 34.03 H new ATOM 1465 N SER A 93 6.041 -14.041 -16.983 1.00 13.45 N ATOM 1466 CA SER A 93 4.841 -14.143 -16.160 1.00 23.54 C ATOM 1467 C SER A 93 5.163 -14.769 -14.806 1.00 22.30 C ATOM 1468 O SER A 93 4.556 -14.427 -13.791 1.00 41.12 O ATOM 1469 CB SER A 93 3.775 -14.973 -16.877 1.00 73.00 C ATOM 1470 OG SER A 93 3.040 -14.178 -17.791 1.00 55.20 O ATOM 0 H SER A 93 6.405 -14.935 -17.312 1.00 13.45 H new ATOM 0 HA SER A 93 4.457 -13.136 -15.994 1.00 23.54 H new ATOM 0 HB2 SER A 93 4.249 -15.799 -17.408 1.00 73.00 H new ATOM 0 HB3 SER A 93 3.097 -15.411 -16.145 1.00 73.00 H new ATOM 0 HG SER A 93 2.366 -14.732 -18.238 1.00 55.20 H new ATOM 1476 N ASP A 94 6.122 -15.688 -14.800 1.00 24.45 N ATOM 1477 CA ASP A 94 6.527 -16.363 -13.571 1.00 41.44 C ATOM 1478 C ASP A 94 7.797 -17.178 -13.792 1.00 70.55 C ATOM 1479 O ASP A 94 8.321 -17.241 -14.905 1.00 21.42 O ATOM 1480 CB ASP A 94 5.404 -17.271 -13.069 1.00 13.42 C ATOM 1481 CG ASP A 94 5.411 -17.419 -11.560 1.00 72.51 C ATOM 1482 OD1 ASP A 94 4.763 -16.597 -10.880 1.00 40.31 O ATOM 1483 OD2 ASP A 94 6.065 -18.358 -11.059 1.00 71.42 O ATOM 0 H ASP A 94 6.634 -15.983 -15.632 1.00 24.45 H new ATOM 0 HA ASP A 94 6.732 -15.602 -12.818 1.00 41.44 H new ATOM 0 HB2 ASP A 94 4.443 -16.866 -13.387 1.00 13.42 H new ATOM 0 HB3 ASP A 94 5.503 -18.255 -13.528 1.00 13.42 H new ATOM 1488 N PHE A 95 8.287 -17.801 -12.726 1.00 23.12 N ATOM 1489 CA PHE A 95 9.497 -18.612 -12.803 1.00 2.54 C ATOM 1490 C PHE A 95 9.167 -20.045 -13.209 1.00 51.34 C ATOM 1491 O PHE A 95 8.029 -20.493 -13.070 1.00 64.13 O ATOM 1492 CB PHE A 95 10.226 -18.606 -11.457 1.00 62.44 C ATOM 1493 CG PHE A 95 9.382 -19.096 -10.316 1.00 15.21 C ATOM 1494 CD1 PHE A 95 9.163 -20.451 -10.130 1.00 30.31 C ATOM 1495 CD2 PHE A 95 8.807 -18.200 -9.429 1.00 35.44 C ATOM 1496 CE1 PHE A 95 8.385 -20.904 -9.081 1.00 24.11 C ATOM 1497 CE2 PHE A 95 8.028 -18.647 -8.377 1.00 63.33 C ATOM 1498 CZ PHE A 95 7.818 -20.001 -8.203 1.00 24.12 C ATOM 0 H PHE A 95 7.865 -17.760 -11.798 1.00 23.12 H new ATOM 0 HA PHE A 95 10.147 -18.179 -13.563 1.00 2.54 H new ATOM 0 HB2 PHE A 95 11.117 -19.229 -11.533 1.00 62.44 H new ATOM 0 HB3 PHE A 95 10.563 -17.592 -11.240 1.00 62.44 H new ATOM 0 HD1 PHE A 95 9.605 -21.162 -10.812 1.00 30.31 H new ATOM 0 HD2 PHE A 95 8.969 -17.140 -9.561 1.00 35.44 H new ATOM 0 HE1 PHE A 95 8.221 -21.963 -8.948 1.00 24.11 H new ATOM 0 HE2 PHE A 95 7.585 -17.939 -7.693 1.00 63.33 H new ATOM 0 HZ PHE A 95 7.211 -20.353 -7.382 1.00 24.12 H new ATOM 1508 N GLN A 96 10.170 -20.757 -13.713 1.00 1.42 N ATOM 1509 CA GLN A 96 9.986 -22.138 -14.141 1.00 60.21 C ATOM 1510 C GLN A 96 11.330 -22.833 -14.329 1.00 63.52 C ATOM 1511 O GLN A 96 12.360 -22.179 -14.499 1.00 73.53 O ATOM 1512 CB GLN A 96 9.186 -22.188 -15.444 1.00 31.22 C ATOM 1513 CG GLN A 96 9.763 -21.315 -16.546 1.00 62.13 C ATOM 1514 CD GLN A 96 9.409 -21.815 -17.933 1.00 30.52 C ATOM 1515 OE1 GLN A 96 8.278 -22.233 -18.185 1.00 2.43 O ATOM 1516 NE2 GLN A 96 10.376 -21.776 -18.842 1.00 23.24 N ATOM 0 H GLN A 96 11.118 -20.400 -13.835 1.00 1.42 H new ATOM 0 HA GLN A 96 9.432 -22.662 -13.362 1.00 60.21 H new ATOM 0 HB2 GLN A 96 9.142 -23.219 -15.794 1.00 31.22 H new ATOM 0 HB3 GLN A 96 8.161 -21.876 -15.244 1.00 31.22 H new ATOM 0 HG2 GLN A 96 9.395 -20.296 -16.427 1.00 62.13 H new ATOM 0 HG3 GLN A 96 10.848 -21.277 -16.444 1.00 62.13 H new ATOM 0 HE21 GLN A 96 11.299 -21.422 -18.590 1.00 23.24 H new ATOM 0 HE22 GLN A 96 10.196 -22.100 -19.792 1.00 23.24 H new ATOM 1525 N ILE A 97 11.313 -24.162 -14.297 1.00 5.31 N ATOM 1526 CA ILE A 97 12.531 -24.945 -14.465 1.00 2.14 C ATOM 1527 C ILE A 97 12.627 -25.518 -15.875 1.00 12.53 C ATOM 1528 O ILE A 97 11.664 -26.082 -16.394 1.00 14.30 O ATOM 1529 CB ILE A 97 12.603 -26.100 -13.448 1.00 15.51 C ATOM 1530 CG1 ILE A 97 12.514 -25.557 -12.020 1.00 45.20 C ATOM 1531 CG2 ILE A 97 13.885 -26.896 -13.640 1.00 14.34 C ATOM 1532 CD1 ILE A 97 12.239 -26.624 -10.984 1.00 25.01 C ATOM 0 H ILE A 97 10.470 -24.718 -14.156 1.00 5.31 H new ATOM 0 HA ILE A 97 13.367 -24.267 -14.293 1.00 2.14 H new ATOM 0 HB ILE A 97 11.757 -26.766 -13.616 1.00 15.51 H new ATOM 0 HG12 ILE A 97 13.449 -25.054 -11.772 1.00 45.20 H new ATOM 0 HG13 ILE A 97 11.726 -24.806 -11.974 1.00 45.20 H new ATOM 0 HG21 ILE A 97 13.921 -27.708 -12.914 1.00 14.34 H new ATOM 0 HG22 ILE A 97 13.909 -27.309 -14.648 1.00 14.34 H new ATOM 0 HG23 ILE A 97 14.745 -26.242 -13.495 1.00 14.34 H new ATOM 0 HD11 ILE A 97 12.189 -26.167 -9.996 1.00 25.01 H new ATOM 0 HD12 ILE A 97 11.290 -27.111 -11.207 1.00 25.01 H new ATOM 0 HD13 ILE A 97 13.040 -27.363 -11.002 1.00 25.01 H new ATOM 1544 N VAL A 98 13.796 -25.370 -16.489 1.00 61.25 N ATOM 1545 CA VAL A 98 14.019 -25.875 -17.839 1.00 24.22 C ATOM 1546 C VAL A 98 15.125 -26.924 -17.857 1.00 24.41 C ATOM 1547 O VAL A 98 16.262 -26.652 -17.469 1.00 34.14 O ATOM 1548 CB VAL A 98 14.390 -24.738 -18.810 1.00 33.14 C ATOM 1549 CG1 VAL A 98 14.525 -25.270 -20.228 1.00 42.12 C ATOM 1550 CG2 VAL A 98 13.355 -23.625 -18.745 1.00 72.12 C ATOM 0 H VAL A 98 14.603 -24.905 -16.074 1.00 61.25 H new ATOM 0 HA VAL A 98 13.084 -26.330 -18.165 1.00 24.22 H new ATOM 0 HB VAL A 98 15.353 -24.326 -18.510 1.00 33.14 H new ATOM 0 HG11 VAL A 98 14.787 -24.453 -20.900 1.00 42.12 H new ATOM 0 HG12 VAL A 98 15.306 -26.030 -20.259 1.00 42.12 H new ATOM 0 HG13 VAL A 98 13.579 -25.709 -20.543 1.00 42.12 H new ATOM 0 HG21 VAL A 98 13.632 -22.830 -19.437 1.00 72.12 H new ATOM 0 HG22 VAL A 98 12.377 -24.021 -19.020 1.00 72.12 H new ATOM 0 HG23 VAL A 98 13.313 -23.226 -17.732 1.00 72.12 H new ATOM 1560 N LYS A 99 14.786 -28.126 -18.311 1.00 71.02 N ATOM 1561 CA LYS A 99 15.750 -29.218 -18.383 1.00 13.15 C ATOM 1562 C LYS A 99 16.353 -29.320 -19.780 1.00 23.34 C ATOM 1563 O LYS A 99 15.649 -29.593 -20.752 1.00 62.31 O ATOM 1564 CB LYS A 99 15.080 -30.542 -18.006 1.00 44.32 C ATOM 1565 CG LYS A 99 16.020 -31.530 -17.337 1.00 1.40 C ATOM 1566 CD LYS A 99 16.925 -32.212 -18.349 1.00 75.43 C ATOM 1567 CE LYS A 99 18.257 -31.490 -18.483 1.00 33.55 C ATOM 1568 NZ LYS A 99 18.821 -31.616 -19.855 1.00 31.41 N ATOM 0 H LYS A 99 13.850 -28.369 -18.635 1.00 71.02 H new ATOM 0 HA LYS A 99 16.552 -29.009 -17.675 1.00 13.15 H new ATOM 0 HB2 LYS A 99 14.244 -30.339 -17.337 1.00 44.32 H new ATOM 0 HB3 LYS A 99 14.666 -30.999 -18.905 1.00 44.32 H new ATOM 0 HG2 LYS A 99 16.628 -31.011 -16.596 1.00 1.40 H new ATOM 0 HG3 LYS A 99 15.439 -32.282 -16.803 1.00 1.40 H new ATOM 0 HD2 LYS A 99 17.099 -33.244 -18.045 1.00 75.43 H new ATOM 0 HD3 LYS A 99 16.428 -32.244 -19.319 1.00 75.43 H new ATOM 0 HE2 LYS A 99 18.124 -30.436 -18.240 1.00 33.55 H new ATOM 0 HE3 LYS A 99 18.965 -31.897 -17.761 1.00 33.55 H new ATOM 0 HZ1 LYS A 99 19.729 -31.111 -19.905 1.00 31.41 H new ATOM 0 HZ2 LYS A 99 18.972 -32.621 -20.078 1.00 31.41 H new ATOM 0 HZ3 LYS A 99 18.157 -31.205 -20.542 1.00 31.41 H new