USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=19 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 Single : A 5 ASN :FLIP amide:sc= 0.471 F(o=-0.26,f=0.47) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 33:sc= 0.195 USER MOD Single : A 12 TYR OH : rot 30:sc= -0.665 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.622 K(o=-0.62,f=-1.2) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0419) USER MOD Single : A 26 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=0) USER MOD Single : A 27 THR OG1 : rot 134:sc= 0.975 USER MOD Single : A 28 GLN : amide:sc= -1.35 K(o=-1.4,f=-4.6!) USER MOD Single : A 32 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00488) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 42 ASN : amide:sc= -0.312 K(o=-0.31,f=-3.8!) USER MOD Single : A 43 THR OG1 : rot -111:sc= 1.29 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.128 F(o=-1.8,f=-0.13) USER MOD Single : A 53 GLN : amide:sc= -0.0678 K(o=-0.068,f=-2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 62 MET CE :methyl 160:sc= -1.22 (180deg=-1.58) USER MOD Single : A 63 GLN : amide:sc= -0.6 K(o=-0.6,f=-1.1) USER MOD Single : A 68 THR OG1 : rot -109:sc= 1.3 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0617 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -66:sc= -0.835 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.102) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 82 ASN :FLIP amide:sc= -1.09 F(o=-2.2,f=-1.1) USER MOD Single : A 83 ASN : amide:sc= -0.212 K(o=-0.21,f=-2) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0661 K(o=-0.066,f=-1.4!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N ASN A 5 8.956 1.689 -8.231 1.00 52.01 N ATOM 41 CA ASN A 5 9.318 0.321 -8.583 1.00 31.21 C ATOM 42 C ASN A 5 10.114 0.286 -9.884 1.00 53.21 C ATOM 43 O ASN A 5 9.554 0.432 -10.972 1.00 25.33 O ATOM 44 CB ASN A 5 8.062 -0.543 -8.717 1.00 1.11 C ATOM 45 CG ASN A 5 6.898 0.220 -9.319 1.00 34.40 C ATOM 46 OD1 ASN A 5 5.697 -0.038 -8.813 1.00 53.41 O flip ATOM 47 ND2 ASN A 5 7.076 1.030 -10.228 1.00 2.32 N flip ATOM 0 HA ASN A 5 9.943 -0.079 -7.785 1.00 31.21 H new ATOM 0 HB2 ASN A 5 8.285 -1.410 -9.339 1.00 1.11 H new ATOM 0 HB3 ASN A 5 7.777 -0.920 -7.735 1.00 1.11 H new ATOM 0 HD21 ASN A 5 8.017 1.196 -10.586 1.00 2.32 H new ATOM 0 HD22 ASN A 5 6.283 1.535 -10.624 1.00 2.32 H new ATOM 54 N THR A 6 11.424 0.092 -9.765 1.00 74.35 N ATOM 55 CA THR A 6 12.297 0.038 -10.931 1.00 10.31 C ATOM 56 C THR A 6 12.804 -1.379 -11.174 1.00 0.35 C ATOM 57 O THR A 6 13.923 -1.723 -10.790 1.00 52.10 O ATOM 58 CB THR A 6 13.503 0.983 -10.773 1.00 23.03 C ATOM 59 OG1 THR A 6 13.063 2.268 -10.321 1.00 11.50 O ATOM 60 CG2 THR A 6 14.251 1.131 -12.089 1.00 52.23 C ATOM 0 H THR A 6 11.903 -0.030 -8.873 1.00 74.35 H new ATOM 0 HA THR A 6 11.702 0.359 -11.786 1.00 10.31 H new ATOM 0 HB THR A 6 14.180 0.552 -10.036 1.00 23.03 H new ATOM 0 HG1 THR A 6 13.836 2.862 -10.222 1.00 11.50 H new ATOM 0 HG21 THR A 6 15.098 1.803 -11.952 1.00 52.23 H new ATOM 0 HG22 THR A 6 14.611 0.155 -12.415 1.00 52.23 H new ATOM 0 HG23 THR A 6 13.581 1.541 -12.844 1.00 52.23 H new ATOM 68 N LEU A 7 11.976 -2.197 -11.813 1.00 34.13 N ATOM 69 CA LEU A 7 12.341 -3.578 -12.108 1.00 33.34 C ATOM 70 C LEU A 7 13.612 -3.638 -12.948 1.00 41.22 C ATOM 71 O LEU A 7 13.771 -2.879 -13.905 1.00 4.13 O ATOM 72 CB LEU A 7 11.198 -4.283 -12.840 1.00 71.41 C ATOM 73 CG LEU A 7 9.837 -4.257 -12.144 1.00 53.50 C ATOM 74 CD1 LEU A 7 8.825 -5.086 -12.919 1.00 35.13 C ATOM 75 CD2 LEU A 7 9.959 -4.761 -10.713 1.00 42.25 C ATOM 0 H LEU A 7 11.047 -1.928 -12.137 1.00 34.13 H new ATOM 0 HA LEU A 7 12.528 -4.088 -11.163 1.00 33.34 H new ATOM 0 HB2 LEU A 7 11.089 -3.828 -13.825 1.00 71.41 H new ATOM 0 HB3 LEU A 7 11.482 -5.323 -12.999 1.00 71.41 H new ATOM 0 HG LEU A 7 9.485 -3.226 -12.115 1.00 53.50 H new ATOM 0 HD11 LEU A 7 7.862 -5.056 -12.408 1.00 35.13 H new ATOM 0 HD12 LEU A 7 8.715 -4.680 -13.924 1.00 35.13 H new ATOM 0 HD13 LEU A 7 9.171 -6.118 -12.980 1.00 35.13 H new ATOM 0 HD21 LEU A 7 8.980 -4.735 -10.234 1.00 42.25 H new ATOM 0 HD22 LEU A 7 10.334 -5.785 -10.718 1.00 42.25 H new ATOM 0 HD23 LEU A 7 10.650 -4.125 -10.161 1.00 42.25 H new ATOM 87 N ILE A 8 14.513 -4.545 -12.586 1.00 74.21 N ATOM 88 CA ILE A 8 15.768 -4.706 -13.309 1.00 40.32 C ATOM 89 C ILE A 8 15.912 -6.123 -13.853 1.00 30.22 C ATOM 90 O ILE A 8 15.043 -6.970 -13.646 1.00 14.32 O ATOM 91 CB ILE A 8 16.979 -4.386 -12.413 1.00 31.44 C ATOM 92 CG1 ILE A 8 16.904 -5.189 -11.112 1.00 51.20 C ATOM 93 CG2 ILE A 8 17.041 -2.895 -12.118 1.00 64.04 C ATOM 94 CD1 ILE A 8 18.174 -5.131 -10.292 1.00 53.30 C ATOM 0 H ILE A 8 14.397 -5.180 -11.796 1.00 74.21 H new ATOM 0 HA ILE A 8 15.745 -4.001 -14.140 1.00 40.32 H new ATOM 0 HB ILE A 8 17.889 -4.670 -12.942 1.00 31.44 H new ATOM 0 HG12 ILE A 8 16.075 -4.815 -10.511 1.00 51.20 H new ATOM 0 HG13 ILE A 8 16.681 -6.229 -11.349 1.00 51.20 H new ATOM 0 HG21 ILE A 8 17.902 -2.685 -11.484 1.00 64.04 H new ATOM 0 HG22 ILE A 8 17.136 -2.343 -13.053 1.00 64.04 H new ATOM 0 HG23 ILE A 8 16.129 -2.587 -11.606 1.00 64.04 H new ATOM 0 HD11 ILE A 8 18.049 -5.722 -9.385 1.00 53.30 H new ATOM 0 HD12 ILE A 8 19.002 -5.533 -10.875 1.00 53.30 H new ATOM 0 HD13 ILE A 8 18.387 -4.096 -10.024 1.00 53.30 H new ATOM 106 N SER A 9 17.017 -6.375 -14.548 1.00 34.22 N ATOM 107 CA SER A 9 17.274 -7.690 -15.123 1.00 63.12 C ATOM 108 C SER A 9 18.771 -7.983 -15.161 1.00 2.24 C ATOM 109 O SER A 9 19.536 -7.283 -15.824 1.00 41.22 O ATOM 110 CB SER A 9 16.691 -7.775 -16.535 1.00 61.50 C ATOM 111 OG SER A 9 17.133 -6.693 -17.336 1.00 21.12 O ATOM 0 H SER A 9 17.748 -5.686 -14.726 1.00 34.22 H new ATOM 0 HA SER A 9 16.791 -8.436 -14.492 1.00 63.12 H new ATOM 0 HB2 SER A 9 16.985 -8.717 -16.997 1.00 61.50 H new ATOM 0 HB3 SER A 9 15.602 -7.772 -16.483 1.00 61.50 H new ATOM 0 HG SER A 9 18.044 -6.444 -17.075 1.00 21.12 H new ATOM 117 N VAL A 10 19.182 -9.023 -14.443 1.00 24.25 N ATOM 118 CA VAL A 10 20.587 -9.411 -14.393 1.00 41.22 C ATOM 119 C VAL A 10 20.744 -10.923 -14.502 1.00 31.44 C ATOM 120 O VAL A 10 19.867 -11.680 -14.084 1.00 62.21 O ATOM 121 CB VAL A 10 21.257 -8.928 -13.093 1.00 63.02 C ATOM 122 CG1 VAL A 10 20.676 -9.655 -11.891 1.00 32.45 C ATOM 123 CG2 VAL A 10 22.764 -9.123 -13.167 1.00 42.40 C ATOM 0 H VAL A 10 18.562 -9.612 -13.888 1.00 24.25 H new ATOM 0 HA VAL A 10 21.077 -8.936 -15.243 1.00 41.22 H new ATOM 0 HB VAL A 10 21.056 -7.863 -12.975 1.00 63.02 H new ATOM 0 HG11 VAL A 10 21.162 -9.301 -10.982 1.00 32.45 H new ATOM 0 HG12 VAL A 10 19.605 -9.460 -11.830 1.00 32.45 H new ATOM 0 HG13 VAL A 10 20.844 -10.727 -11.998 1.00 32.45 H new ATOM 0 HG21 VAL A 10 23.222 -8.777 -12.240 1.00 42.40 H new ATOM 0 HG22 VAL A 10 22.988 -10.180 -13.309 1.00 42.40 H new ATOM 0 HG23 VAL A 10 23.164 -8.552 -14.005 1.00 42.40 H new ATOM 133 N ASP A 11 21.866 -11.357 -15.064 1.00 64.32 N ATOM 134 CA ASP A 11 22.140 -12.780 -15.226 1.00 72.54 C ATOM 135 C ASP A 11 22.790 -13.355 -13.972 1.00 23.30 C ATOM 136 O ASP A 11 22.946 -12.661 -12.967 1.00 51.22 O ATOM 137 CB ASP A 11 23.045 -13.013 -16.437 1.00 74.04 C ATOM 138 CG ASP A 11 22.453 -12.457 -17.718 1.00 12.35 C ATOM 139 OD1 ASP A 11 22.444 -11.218 -17.878 1.00 24.44 O ATOM 140 OD2 ASP A 11 21.997 -13.260 -18.559 1.00 43.40 O ATOM 0 H ASP A 11 22.601 -10.744 -15.415 1.00 64.32 H new ATOM 0 HA ASP A 11 21.191 -13.291 -15.388 1.00 72.54 H new ATOM 0 HB2 ASP A 11 24.015 -12.549 -16.257 1.00 74.04 H new ATOM 0 HB3 ASP A 11 23.220 -14.082 -16.555 1.00 74.04 H new ATOM 145 N TYR A 12 23.167 -14.627 -14.037 1.00 63.33 N ATOM 146 CA TYR A 12 23.798 -15.297 -12.906 1.00 13.43 C ATOM 147 C TYR A 12 24.673 -16.454 -13.376 1.00 62.11 C ATOM 148 O TYR A 12 24.342 -17.145 -14.339 1.00 10.00 O ATOM 149 CB TYR A 12 22.735 -15.809 -11.933 1.00 33.34 C ATOM 150 CG TYR A 12 23.231 -15.948 -10.511 1.00 42.42 C ATOM 151 CD1 TYR A 12 23.854 -14.887 -9.866 1.00 4.24 C ATOM 152 CD2 TYR A 12 23.076 -17.139 -9.813 1.00 62.13 C ATOM 153 CE1 TYR A 12 24.310 -15.009 -8.567 1.00 62.23 C ATOM 154 CE2 TYR A 12 23.528 -17.270 -8.514 1.00 75.02 C ATOM 155 CZ TYR A 12 24.144 -16.202 -7.896 1.00 23.52 C ATOM 156 OH TYR A 12 24.596 -16.328 -6.602 1.00 14.11 O ATOM 0 H TYR A 12 23.047 -15.215 -14.862 1.00 63.33 H new ATOM 0 HA TYR A 12 24.431 -14.572 -12.394 1.00 13.43 H new ATOM 0 HB2 TYR A 12 21.884 -15.128 -11.947 1.00 33.34 H new ATOM 0 HB3 TYR A 12 22.374 -16.778 -12.279 1.00 33.34 H new ATOM 0 HD1 TYR A 12 23.984 -13.951 -10.389 1.00 4.24 H new ATOM 0 HD2 TYR A 12 22.594 -17.977 -10.294 1.00 62.13 H new ATOM 0 HE1 TYR A 12 24.793 -14.175 -8.080 1.00 62.23 H new ATOM 0 HE2 TYR A 12 23.400 -18.203 -7.986 1.00 75.02 H new ATOM 0 HH TYR A 12 24.557 -15.457 -6.155 1.00 14.11 H new ATOM 166 N GLU A 13 25.792 -16.659 -12.688 1.00 42.12 N ATOM 167 CA GLU A 13 26.716 -17.732 -13.035 1.00 71.43 C ATOM 168 C GLU A 13 27.427 -18.261 -11.793 1.00 71.40 C ATOM 169 O GLU A 13 27.836 -17.491 -10.924 1.00 44.11 O ATOM 170 CB GLU A 13 27.745 -17.240 -14.055 1.00 4.35 C ATOM 171 CG GLU A 13 28.340 -18.350 -14.905 1.00 13.03 C ATOM 172 CD GLU A 13 29.350 -17.836 -15.912 1.00 74.14 C ATOM 173 OE1 GLU A 13 29.191 -16.688 -16.377 1.00 5.41 O ATOM 174 OE2 GLU A 13 30.297 -18.582 -16.237 1.00 2.23 O ATOM 0 H GLU A 13 26.080 -16.096 -11.888 1.00 42.12 H new ATOM 0 HA GLU A 13 26.139 -18.545 -13.476 1.00 71.43 H new ATOM 0 HB2 GLU A 13 27.273 -16.506 -14.709 1.00 4.35 H new ATOM 0 HB3 GLU A 13 28.549 -16.727 -13.528 1.00 4.35 H new ATOM 0 HG2 GLU A 13 28.820 -19.082 -14.256 1.00 13.03 H new ATOM 0 HG3 GLU A 13 27.539 -18.868 -15.432 1.00 13.03 H new ATOM 181 N ILE A 14 27.569 -19.580 -11.716 1.00 72.35 N ATOM 182 CA ILE A 14 28.230 -20.212 -10.582 1.00 21.43 C ATOM 183 C ILE A 14 29.312 -21.182 -11.046 1.00 11.21 C ATOM 184 O ILE A 14 29.182 -21.819 -12.091 1.00 62.32 O ATOM 185 CB ILE A 14 27.225 -20.970 -9.694 1.00 54.53 C ATOM 186 CG1 ILE A 14 26.025 -20.077 -9.370 1.00 33.22 C ATOM 187 CG2 ILE A 14 27.899 -21.445 -8.416 1.00 42.31 C ATOM 188 CD1 ILE A 14 26.382 -18.862 -8.543 1.00 35.13 C ATOM 0 H ILE A 14 27.235 -20.232 -12.426 1.00 72.35 H new ATOM 0 HA ILE A 14 28.687 -19.412 -9.999 1.00 21.43 H new ATOM 0 HB ILE A 14 26.868 -21.844 -10.239 1.00 54.53 H new ATOM 0 HG12 ILE A 14 25.564 -19.750 -10.302 1.00 33.22 H new ATOM 0 HG13 ILE A 14 25.279 -20.665 -8.835 1.00 33.22 H new ATOM 0 HG21 ILE A 14 27.175 -21.979 -7.800 1.00 42.31 H new ATOM 0 HG22 ILE A 14 28.724 -22.112 -8.666 1.00 42.31 H new ATOM 0 HG23 ILE A 14 28.281 -20.586 -7.865 1.00 42.31 H new ATOM 0 HD11 ILE A 14 25.483 -18.275 -8.352 1.00 35.13 H new ATOM 0 HD12 ILE A 14 26.816 -19.181 -7.595 1.00 35.13 H new ATOM 0 HD13 ILE A 14 27.105 -18.252 -9.085 1.00 35.13 H new ATOM 200 N PHE A 15 30.379 -21.289 -10.261 1.00 33.31 N ATOM 201 CA PHE A 15 31.484 -22.182 -10.591 1.00 34.13 C ATOM 202 C PHE A 15 31.903 -23.001 -9.373 1.00 44.52 C ATOM 203 O PHE A 15 31.781 -22.549 -8.235 1.00 53.25 O ATOM 204 CB PHE A 15 32.676 -21.380 -11.116 1.00 10.01 C ATOM 205 CG PHE A 15 33.778 -22.237 -11.670 1.00 72.31 C ATOM 206 CD1 PHE A 15 33.511 -23.188 -12.642 1.00 23.42 C ATOM 207 CD2 PHE A 15 35.080 -22.092 -11.220 1.00 10.33 C ATOM 208 CE1 PHE A 15 34.523 -23.979 -13.153 1.00 3.03 C ATOM 209 CE2 PHE A 15 36.096 -22.879 -11.727 1.00 62.33 C ATOM 210 CZ PHE A 15 35.817 -23.823 -12.696 1.00 24.42 C ATOM 0 H PHE A 15 30.502 -20.769 -9.392 1.00 33.31 H new ATOM 0 HA PHE A 15 31.146 -22.867 -11.368 1.00 34.13 H new ATOM 0 HB2 PHE A 15 32.331 -20.698 -11.893 1.00 10.01 H new ATOM 0 HB3 PHE A 15 33.075 -20.766 -10.308 1.00 10.01 H new ATOM 0 HD1 PHE A 15 32.501 -23.313 -13.004 1.00 23.42 H new ATOM 0 HD2 PHE A 15 35.304 -21.355 -10.463 1.00 10.33 H new ATOM 0 HE1 PHE A 15 34.302 -24.718 -13.909 1.00 3.03 H new ATOM 0 HE2 PHE A 15 37.107 -22.756 -11.366 1.00 62.33 H new ATOM 0 HZ PHE A 15 36.610 -24.438 -13.096 1.00 24.42 H new ATOM 220 N GLY A 16 32.399 -24.209 -9.622 1.00 44.10 N ATOM 221 CA GLY A 16 32.829 -25.072 -8.538 1.00 23.15 C ATOM 222 C GLY A 16 32.239 -26.465 -8.637 1.00 4.15 C ATOM 223 O GLY A 16 32.509 -27.196 -9.590 1.00 41.41 O ATOM 0 H GLY A 16 32.511 -24.605 -10.555 1.00 44.10 H new ATOM 0 HA2 GLY A 16 33.917 -25.140 -8.542 1.00 23.15 H new ATOM 0 HA3 GLY A 16 32.541 -24.626 -7.586 1.00 23.15 H new ATOM 227 N LYS A 17 31.433 -26.836 -7.648 1.00 12.31 N ATOM 228 CA LYS A 17 30.803 -28.151 -7.626 1.00 52.51 C ATOM 229 C LYS A 17 29.342 -28.061 -8.057 1.00 23.22 C ATOM 230 O LYS A 17 28.485 -28.770 -7.530 1.00 13.14 O ATOM 231 CB LYS A 17 30.896 -28.760 -6.226 1.00 23.44 C ATOM 232 CG LYS A 17 30.603 -30.250 -6.190 1.00 74.21 C ATOM 233 CD LYS A 17 31.878 -31.072 -6.268 1.00 23.04 C ATOM 234 CE LYS A 17 31.587 -32.520 -6.632 1.00 43.34 C ATOM 235 NZ LYS A 17 32.836 -33.288 -6.893 1.00 42.45 N ATOM 0 H LYS A 17 31.200 -26.244 -6.851 1.00 12.31 H new ATOM 0 HA LYS A 17 31.333 -28.792 -8.330 1.00 52.51 H new ATOM 0 HB2 LYS A 17 31.896 -28.585 -5.829 1.00 23.44 H new ATOM 0 HB3 LYS A 17 30.197 -28.245 -5.568 1.00 23.44 H new ATOM 0 HG2 LYS A 17 30.067 -30.494 -5.273 1.00 74.21 H new ATOM 0 HG3 LYS A 17 29.948 -30.513 -7.021 1.00 74.21 H new ATOM 0 HD2 LYS A 17 32.548 -30.637 -7.010 1.00 23.04 H new ATOM 0 HD3 LYS A 17 32.396 -31.034 -5.310 1.00 23.04 H new ATOM 0 HE2 LYS A 17 31.032 -32.994 -5.822 1.00 43.34 H new ATOM 0 HE3 LYS A 17 30.950 -32.551 -7.516 1.00 43.34 H new ATOM 0 HZ1 LYS A 17 32.595 -34.270 -7.138 1.00 42.45 H new ATOM 0 HZ2 LYS A 17 33.353 -32.851 -7.682 1.00 42.45 H new ATOM 0 HZ3 LYS A 17 33.433 -33.280 -6.041 1.00 42.45 H new ATOM 249 N VAL A 18 29.066 -27.187 -9.019 1.00 41.22 N ATOM 250 CA VAL A 18 27.710 -27.007 -9.523 1.00 34.05 C ATOM 251 C VAL A 18 27.557 -27.606 -10.916 1.00 35.41 C ATOM 252 O VAL A 18 26.723 -27.162 -11.705 1.00 0.04 O ATOM 253 CB VAL A 18 27.322 -25.517 -9.571 1.00 72.21 C ATOM 254 CG1 VAL A 18 27.210 -24.948 -8.165 1.00 21.21 C ATOM 255 CG2 VAL A 18 28.331 -24.731 -10.395 1.00 32.14 C ATOM 0 H VAL A 18 29.764 -26.592 -9.465 1.00 41.22 H new ATOM 0 HA VAL A 18 27.045 -27.526 -8.833 1.00 34.05 H new ATOM 0 HB VAL A 18 26.347 -25.428 -10.051 1.00 72.21 H new ATOM 0 HG11 VAL A 18 26.935 -23.895 -8.220 1.00 21.21 H new ATOM 0 HG12 VAL A 18 26.446 -25.494 -7.611 1.00 21.21 H new ATOM 0 HG13 VAL A 18 28.168 -25.047 -7.655 1.00 21.21 H new ATOM 0 HG21 VAL A 18 28.042 -23.680 -10.419 1.00 32.14 H new ATOM 0 HG22 VAL A 18 29.320 -24.825 -9.946 1.00 32.14 H new ATOM 0 HG23 VAL A 18 28.355 -25.124 -11.412 1.00 32.14 H new ATOM 265 N GLN A 19 28.366 -28.618 -11.211 1.00 64.11 N ATOM 266 CA GLN A 19 28.321 -29.279 -12.510 1.00 53.52 C ATOM 267 C GLN A 19 27.832 -30.717 -12.373 1.00 1.31 C ATOM 268 O GLN A 19 28.573 -31.596 -11.935 1.00 43.42 O ATOM 269 CB GLN A 19 29.703 -29.257 -13.166 1.00 34.33 C ATOM 270 CG GLN A 19 29.975 -27.996 -13.969 1.00 65.03 C ATOM 271 CD GLN A 19 28.990 -27.803 -15.105 1.00 12.33 C ATOM 272 OE1 GLN A 19 29.028 -28.521 -16.104 1.00 42.44 O ATOM 273 NE2 GLN A 19 28.099 -26.829 -14.956 1.00 70.24 N ATOM 0 H GLN A 19 29.061 -28.998 -10.568 1.00 64.11 H new ATOM 0 HA GLN A 19 27.619 -28.735 -13.142 1.00 53.52 H new ATOM 0 HB2 GLN A 19 30.465 -29.357 -12.393 1.00 34.33 H new ATOM 0 HB3 GLN A 19 29.799 -30.123 -13.821 1.00 34.33 H new ATOM 0 HG2 GLN A 19 29.933 -27.132 -13.306 1.00 65.03 H new ATOM 0 HG3 GLN A 19 30.986 -28.039 -14.373 1.00 65.03 H new ATOM 0 HE21 GLN A 19 28.104 -26.258 -14.111 1.00 70.24 H new ATOM 0 HE22 GLN A 19 27.410 -26.652 -15.687 1.00 70.24 H new ATOM 282 N GLY A 20 26.578 -30.949 -12.750 1.00 24.42 N ATOM 283 CA GLY A 20 26.012 -32.283 -12.660 1.00 42.44 C ATOM 284 C GLY A 20 25.212 -32.489 -11.390 1.00 1.35 C ATOM 285 O GLY A 20 25.025 -33.620 -10.941 1.00 40.05 O ATOM 0 H GLY A 20 25.945 -30.238 -13.116 1.00 24.42 H new ATOM 0 HA2 GLY A 20 25.370 -32.461 -13.523 1.00 42.44 H new ATOM 0 HA3 GLY A 20 26.815 -33.019 -12.703 1.00 42.44 H new ATOM 289 N VAL A 21 24.739 -31.392 -10.805 1.00 64.22 N ATOM 290 CA VAL A 21 23.956 -31.457 -9.578 1.00 34.54 C ATOM 291 C VAL A 21 22.544 -30.925 -9.798 1.00 30.40 C ATOM 292 O VAL A 21 22.169 -30.574 -10.917 1.00 0.02 O ATOM 293 CB VAL A 21 24.622 -30.658 -8.443 1.00 5.33 C ATOM 294 CG1 VAL A 21 26.035 -31.164 -8.191 1.00 53.42 C ATOM 295 CG2 VAL A 21 24.630 -29.172 -8.771 1.00 71.43 C ATOM 0 H VAL A 21 24.885 -30.448 -11.162 1.00 64.22 H new ATOM 0 HA VAL A 21 23.905 -32.507 -9.291 1.00 34.54 H new ATOM 0 HB VAL A 21 24.042 -30.803 -7.532 1.00 5.33 H new ATOM 0 HG11 VAL A 21 26.490 -30.587 -7.386 1.00 53.42 H new ATOM 0 HG12 VAL A 21 26.000 -32.216 -7.909 1.00 53.42 H new ATOM 0 HG13 VAL A 21 26.629 -31.051 -9.098 1.00 53.42 H new ATOM 0 HG21 VAL A 21 25.104 -28.622 -7.958 1.00 71.43 H new ATOM 0 HG22 VAL A 21 25.186 -29.006 -9.694 1.00 71.43 H new ATOM 0 HG23 VAL A 21 23.606 -28.822 -8.896 1.00 71.43 H new ATOM 305 N PHE A 22 21.765 -30.868 -8.723 1.00 74.31 N ATOM 306 CA PHE A 22 20.393 -30.379 -8.799 1.00 31.25 C ATOM 307 C PHE A 22 20.349 -28.859 -8.669 1.00 65.51 C ATOM 308 O PHE A 22 20.067 -28.324 -7.597 1.00 21.31 O ATOM 309 CB PHE A 22 19.539 -31.020 -7.702 1.00 64.33 C ATOM 310 CG PHE A 22 19.398 -32.509 -7.846 1.00 4.22 C ATOM 311 CD1 PHE A 22 20.316 -33.365 -7.258 1.00 51.31 C ATOM 312 CD2 PHE A 22 18.348 -33.052 -8.568 1.00 22.11 C ATOM 313 CE1 PHE A 22 20.189 -34.735 -7.389 1.00 52.44 C ATOM 314 CE2 PHE A 22 18.216 -34.421 -8.702 1.00 73.33 C ATOM 315 CZ PHE A 22 19.137 -35.264 -8.111 1.00 52.33 C ATOM 0 H PHE A 22 22.060 -31.154 -7.789 1.00 74.31 H new ATOM 0 HA PHE A 22 19.989 -30.655 -9.773 1.00 31.25 H new ATOM 0 HB2 PHE A 22 19.982 -30.797 -6.731 1.00 64.33 H new ATOM 0 HB3 PHE A 22 18.548 -30.566 -7.712 1.00 64.33 H new ATOM 0 HD1 PHE A 22 21.140 -32.957 -6.691 1.00 51.31 H new ATOM 0 HD2 PHE A 22 17.624 -32.398 -9.031 1.00 22.11 H new ATOM 0 HE1 PHE A 22 20.912 -35.391 -6.927 1.00 52.44 H new ATOM 0 HE2 PHE A 22 17.393 -34.832 -9.268 1.00 73.33 H new ATOM 0 HZ PHE A 22 19.035 -36.334 -8.213 1.00 52.33 H new ATOM 325 N PHE A 23 20.632 -28.170 -9.769 1.00 51.33 N ATOM 326 CA PHE A 23 20.627 -26.711 -9.780 1.00 30.53 C ATOM 327 C PHE A 23 19.362 -26.177 -10.444 1.00 53.41 C ATOM 328 O PHE A 23 19.353 -25.073 -10.989 1.00 1.41 O ATOM 329 CB PHE A 23 21.863 -26.181 -10.510 1.00 31.45 C ATOM 330 CG PHE A 23 22.076 -26.805 -11.859 1.00 73.31 C ATOM 331 CD1 PHE A 23 21.352 -26.373 -12.959 1.00 2.12 C ATOM 332 CD2 PHE A 23 22.999 -27.825 -12.028 1.00 11.41 C ATOM 333 CE1 PHE A 23 21.546 -26.945 -14.202 1.00 52.43 C ATOM 334 CE2 PHE A 23 23.197 -28.400 -13.269 1.00 1.21 C ATOM 335 CZ PHE A 23 22.469 -27.960 -14.357 1.00 71.11 C ATOM 0 H PHE A 23 20.868 -28.598 -10.664 1.00 51.33 H new ATOM 0 HA PHE A 23 20.648 -26.364 -8.747 1.00 30.53 H new ATOM 0 HB2 PHE A 23 21.770 -25.101 -10.629 1.00 31.45 H new ATOM 0 HB3 PHE A 23 22.744 -26.359 -9.893 1.00 31.45 H new ATOM 0 HD1 PHE A 23 20.628 -25.580 -12.843 1.00 2.12 H new ATOM 0 HD2 PHE A 23 23.570 -28.174 -11.180 1.00 11.41 H new ATOM 0 HE1 PHE A 23 20.976 -26.598 -15.051 1.00 52.43 H new ATOM 0 HE2 PHE A 23 23.921 -29.193 -13.388 1.00 1.21 H new ATOM 0 HZ PHE A 23 22.621 -28.409 -15.327 1.00 71.11 H new ATOM 345 N ARG A 24 18.295 -26.968 -10.395 1.00 41.11 N ATOM 346 CA ARG A 24 17.025 -26.576 -10.993 1.00 53.34 C ATOM 347 C ARG A 24 15.894 -26.661 -9.973 1.00 12.14 C ATOM 348 O ARG A 24 14.992 -25.822 -9.957 1.00 25.35 O ATOM 349 CB ARG A 24 16.708 -27.465 -12.197 1.00 54.43 C ATOM 350 CG ARG A 24 16.556 -28.936 -11.845 1.00 45.53 C ATOM 351 CD ARG A 24 16.267 -29.777 -13.079 1.00 11.44 C ATOM 352 NE ARG A 24 17.487 -30.131 -13.798 1.00 43.14 N ATOM 353 CZ ARG A 24 17.517 -30.977 -14.822 1.00 25.44 C ATOM 354 NH1 ARG A 24 16.400 -31.553 -15.243 1.00 50.15 N ATOM 355 NH2 ARG A 24 18.667 -31.249 -15.426 1.00 23.34 N ATOM 0 H ARG A 24 18.285 -27.884 -9.947 1.00 41.11 H new ATOM 0 HA ARG A 24 17.113 -25.542 -11.326 1.00 53.34 H new ATOM 0 HB2 ARG A 24 15.787 -27.115 -12.664 1.00 54.43 H new ATOM 0 HB3 ARG A 24 17.502 -27.357 -12.936 1.00 54.43 H new ATOM 0 HG2 ARG A 24 17.468 -29.293 -11.366 1.00 45.53 H new ATOM 0 HG3 ARG A 24 15.748 -29.057 -11.123 1.00 45.53 H new ATOM 0 HD2 ARG A 24 15.744 -30.686 -12.783 1.00 11.44 H new ATOM 0 HD3 ARG A 24 15.601 -29.228 -13.744 1.00 11.44 H new ATOM 0 HE ARG A 24 18.364 -29.706 -13.498 1.00 43.14 H new ATOM 0 HH11 ARG A 24 15.514 -31.347 -14.781 1.00 50.15 H new ATOM 0 HH12 ARG A 24 16.426 -32.202 -16.029 1.00 50.15 H new ATOM 0 HH21 ARG A 24 19.529 -30.808 -15.104 1.00 23.34 H new ATOM 0 HH22 ARG A 24 18.689 -31.899 -16.212 1.00 23.34 H new ATOM 369 N LYS A 25 15.947 -27.680 -9.122 1.00 23.12 N ATOM 370 CA LYS A 25 14.929 -27.876 -8.097 1.00 30.12 C ATOM 371 C LYS A 25 15.057 -26.828 -6.996 1.00 34.23 C ATOM 372 O LYS A 25 14.083 -26.160 -6.645 1.00 23.33 O ATOM 373 CB LYS A 25 15.044 -29.279 -7.496 1.00 51.11 C ATOM 374 CG LYS A 25 13.743 -29.797 -6.907 1.00 3.32 C ATOM 375 CD LYS A 25 13.462 -29.178 -5.548 1.00 15.11 C ATOM 376 CE LYS A 25 12.194 -29.746 -4.929 1.00 13.02 C ATOM 377 NZ LYS A 25 10.977 -29.341 -5.686 1.00 61.55 N ATOM 0 H LYS A 25 16.685 -28.384 -9.122 1.00 23.12 H new ATOM 0 HA LYS A 25 13.951 -27.767 -8.566 1.00 30.12 H new ATOM 0 HB2 LYS A 25 15.384 -29.969 -8.268 1.00 51.11 H new ATOM 0 HB3 LYS A 25 15.807 -29.270 -6.718 1.00 51.11 H new ATOM 0 HG2 LYS A 25 12.920 -29.574 -7.587 1.00 3.32 H new ATOM 0 HG3 LYS A 25 13.792 -30.882 -6.811 1.00 3.32 H new ATOM 0 HD2 LYS A 25 14.306 -29.360 -4.883 1.00 15.11 H new ATOM 0 HD3 LYS A 25 13.365 -28.097 -5.652 1.00 15.11 H new ATOM 0 HE2 LYS A 25 12.259 -30.834 -4.901 1.00 13.02 H new ATOM 0 HE3 LYS A 25 12.110 -29.405 -3.897 1.00 13.02 H new ATOM 0 HZ1 LYS A 25 10.128 -29.647 -5.168 1.00 61.55 H new ATOM 0 HZ2 LYS A 25 10.963 -28.307 -5.793 1.00 61.55 H new ATOM 0 HZ3 LYS A 25 10.989 -29.786 -6.626 1.00 61.55 H new ATOM 391 N HIS A 26 16.263 -26.688 -6.455 1.00 71.12 N ATOM 392 CA HIS A 26 16.518 -25.719 -5.395 1.00 73.20 C ATOM 393 C HIS A 26 16.333 -24.294 -5.906 1.00 42.51 C ATOM 394 O HIS A 26 15.764 -23.445 -5.219 1.00 42.40 O ATOM 395 CB HIS A 26 17.932 -25.896 -4.843 1.00 24.33 C ATOM 396 CG HIS A 26 18.167 -25.172 -3.553 1.00 33.02 C ATOM 397 ND1 HIS A 26 18.226 -25.810 -2.332 1.00 3.33 N ATOM 398 CD2 HIS A 26 18.359 -23.857 -3.298 1.00 54.54 C ATOM 399 CE1 HIS A 26 18.443 -24.918 -1.382 1.00 11.43 C ATOM 400 NE2 HIS A 26 18.528 -23.725 -1.942 1.00 54.50 N ATOM 0 H HIS A 26 17.079 -27.233 -6.733 1.00 71.12 H new ATOM 0 HA HIS A 26 15.799 -25.895 -4.595 1.00 73.20 H new ATOM 0 HB2 HIS A 26 18.125 -26.958 -4.694 1.00 24.33 H new ATOM 0 HB3 HIS A 26 18.649 -25.543 -5.584 1.00 24.33 H new ATOM 0 HD2 HIS A 26 18.376 -23.059 -4.026 1.00 54.54 H new ATOM 0 HE1 HIS A 26 18.535 -25.129 -0.327 1.00 11.43 H new ATOM 0 HE2 HIS A 26 18.692 -22.848 -1.447 1.00 54.50 H new ATOM 408 N THR A 27 16.819 -24.036 -7.117 1.00 33.42 N ATOM 409 CA THR A 27 16.709 -22.714 -7.719 1.00 43.21 C ATOM 410 C THR A 27 15.252 -22.287 -7.847 1.00 15.21 C ATOM 411 O THR A 27 14.910 -21.132 -7.593 1.00 73.13 O ATOM 412 CB THR A 27 17.368 -22.674 -9.111 1.00 30.01 C ATOM 413 OG1 THR A 27 18.720 -23.139 -9.027 1.00 12.44 O ATOM 414 CG2 THR A 27 17.346 -21.263 -9.680 1.00 73.51 C ATOM 0 H THR A 27 17.293 -24.726 -7.700 1.00 33.42 H new ATOM 0 HA THR A 27 17.230 -22.022 -7.058 1.00 43.21 H new ATOM 0 HB THR A 27 16.801 -23.326 -9.776 1.00 30.01 H new ATOM 0 HG1 THR A 27 18.895 -23.770 -9.756 1.00 12.44 H new ATOM 0 HG21 THR A 27 17.817 -21.260 -10.663 1.00 73.51 H new ATOM 0 HG22 THR A 27 16.314 -20.923 -9.771 1.00 73.51 H new ATOM 0 HG23 THR A 27 17.891 -20.594 -9.014 1.00 73.51 H new ATOM 422 N GLN A 28 14.397 -23.226 -8.241 1.00 1.52 N ATOM 423 CA GLN A 28 12.975 -22.945 -8.402 1.00 4.22 C ATOM 424 C GLN A 28 12.307 -22.726 -7.049 1.00 31.35 C ATOM 425 O GLN A 28 11.618 -21.728 -6.840 1.00 32.43 O ATOM 426 CB GLN A 28 12.288 -24.092 -9.144 1.00 62.30 C ATOM 427 CG GLN A 28 10.781 -23.927 -9.258 1.00 23.31 C ATOM 428 CD GLN A 28 10.037 -24.536 -8.086 1.00 23.31 C ATOM 429 OE1 GLN A 28 10.612 -25.279 -7.289 1.00 72.24 O ATOM 430 NE2 GLN A 28 8.752 -24.224 -7.974 1.00 35.21 N ATOM 0 H GLN A 28 14.664 -24.187 -8.454 1.00 1.52 H new ATOM 0 HA GLN A 28 12.875 -22.031 -8.988 1.00 4.22 H new ATOM 0 HB2 GLN A 28 12.713 -24.173 -10.144 1.00 62.30 H new ATOM 0 HB3 GLN A 28 12.505 -25.028 -8.629 1.00 62.30 H new ATOM 0 HG2 GLN A 28 10.540 -22.866 -9.325 1.00 23.31 H new ATOM 0 HG3 GLN A 28 10.437 -24.391 -10.182 1.00 23.31 H new ATOM 0 HE21 GLN A 28 8.316 -23.605 -8.657 1.00 35.21 H new ATOM 0 HE22 GLN A 28 8.200 -24.604 -7.205 1.00 35.21 H new ATOM 439 N ALA A 29 12.515 -23.666 -6.133 1.00 22.44 N ATOM 440 CA ALA A 29 11.934 -23.576 -4.799 1.00 2.41 C ATOM 441 C ALA A 29 12.257 -22.234 -4.150 1.00 33.03 C ATOM 442 O ALA A 29 11.390 -21.602 -3.548 1.00 13.24 O ATOM 443 CB ALA A 29 12.432 -24.719 -3.927 1.00 60.13 C ATOM 0 H ALA A 29 13.082 -24.499 -6.290 1.00 22.44 H new ATOM 0 HA ALA A 29 10.851 -23.653 -4.896 1.00 2.41 H new ATOM 0 HB1 ALA A 29 11.990 -24.638 -2.934 1.00 60.13 H new ATOM 0 HB2 ALA A 29 12.146 -25.670 -4.376 1.00 60.13 H new ATOM 0 HB3 ALA A 29 13.518 -24.668 -3.846 1.00 60.13 H new ATOM 449 N GLU A 30 13.509 -21.806 -4.276 1.00 21.50 N ATOM 450 CA GLU A 30 13.945 -20.540 -3.699 1.00 61.14 C ATOM 451 C GLU A 30 13.398 -19.361 -4.499 1.00 34.22 C ATOM 452 O GLU A 30 13.223 -18.265 -3.968 1.00 42.14 O ATOM 453 CB GLU A 30 15.473 -20.474 -3.654 1.00 61.01 C ATOM 454 CG GLU A 30 16.009 -19.427 -2.692 1.00 52.44 C ATOM 455 CD GLU A 30 16.002 -18.031 -3.286 1.00 74.43 C ATOM 456 OE1 GLU A 30 16.304 -17.897 -4.490 1.00 44.22 O ATOM 457 OE2 GLU A 30 15.693 -17.074 -2.546 1.00 53.12 O ATOM 0 H GLU A 30 14.239 -22.317 -4.772 1.00 21.50 H new ATOM 0 HA GLU A 30 13.556 -20.480 -2.683 1.00 61.14 H new ATOM 0 HB2 GLU A 30 15.862 -21.451 -3.368 1.00 61.01 H new ATOM 0 HB3 GLU A 30 15.849 -20.262 -4.655 1.00 61.01 H new ATOM 0 HG2 GLU A 30 15.409 -19.434 -1.782 1.00 52.44 H new ATOM 0 HG3 GLU A 30 17.027 -19.690 -2.404 1.00 52.44 H new ATOM 464 N GLY A 31 13.129 -19.596 -5.780 1.00 13.13 N ATOM 465 CA GLY A 31 12.605 -18.545 -6.632 1.00 72.04 C ATOM 466 C GLY A 31 11.213 -18.106 -6.223 1.00 1.24 C ATOM 467 O GLY A 31 10.809 -16.972 -6.483 1.00 63.32 O ATOM 0 H GLY A 31 13.265 -20.495 -6.242 1.00 13.13 H new ATOM 0 HA2 GLY A 31 13.277 -17.687 -6.600 1.00 72.04 H new ATOM 0 HA3 GLY A 31 12.583 -18.895 -7.664 1.00 72.04 H new ATOM 471 N LYS A 32 10.476 -19.005 -5.580 1.00 74.33 N ATOM 472 CA LYS A 32 9.120 -18.706 -5.134 1.00 23.15 C ATOM 473 C LYS A 32 9.140 -17.834 -3.883 1.00 1.45 C ATOM 474 O LYS A 32 8.225 -17.044 -3.649 1.00 51.43 O ATOM 475 CB LYS A 32 8.356 -20.002 -4.852 1.00 42.15 C ATOM 476 CG LYS A 32 6.975 -19.778 -4.261 1.00 42.43 C ATOM 477 CD LYS A 32 6.250 -21.092 -4.023 1.00 44.31 C ATOM 478 CE LYS A 32 6.847 -21.853 -2.849 1.00 42.41 C ATOM 479 NZ LYS A 32 6.421 -21.280 -1.542 1.00 51.54 N ATOM 0 H LYS A 32 10.795 -19.948 -5.356 1.00 74.33 H new ATOM 0 HA LYS A 32 8.614 -18.159 -5.930 1.00 23.15 H new ATOM 0 HB2 LYS A 32 8.258 -20.565 -5.780 1.00 42.15 H new ATOM 0 HB3 LYS A 32 8.940 -20.616 -4.167 1.00 42.15 H new ATOM 0 HG2 LYS A 32 7.065 -19.235 -3.320 1.00 42.43 H new ATOM 0 HG3 LYS A 32 6.387 -19.154 -4.934 1.00 42.43 H new ATOM 0 HD2 LYS A 32 5.195 -20.897 -3.833 1.00 44.31 H new ATOM 0 HD3 LYS A 32 6.304 -21.707 -4.922 1.00 44.31 H new ATOM 0 HE2 LYS A 32 6.545 -22.899 -2.903 1.00 42.41 H new ATOM 0 HE3 LYS A 32 7.935 -21.832 -2.918 1.00 42.41 H new ATOM 0 HZ1 LYS A 32 6.821 -21.847 -0.767 1.00 51.54 H new ATOM 0 HZ2 LYS A 32 6.761 -20.300 -1.465 1.00 51.54 H new ATOM 0 HZ3 LYS A 32 5.383 -21.293 -1.479 1.00 51.54 H new ATOM 493 N LYS A 33 10.189 -17.980 -3.081 1.00 24.41 N ATOM 494 CA LYS A 33 10.331 -17.204 -1.855 1.00 33.23 C ATOM 495 C LYS A 33 10.200 -15.711 -2.138 1.00 23.01 C ATOM 496 O LYS A 33 9.277 -15.055 -1.654 1.00 33.21 O ATOM 497 CB LYS A 33 11.682 -17.493 -1.196 1.00 73.25 C ATOM 498 CG LYS A 33 11.871 -18.950 -0.811 1.00 64.24 C ATOM 499 CD LYS A 33 13.153 -19.156 -0.021 1.00 14.32 C ATOM 500 CE LYS A 33 13.465 -20.633 0.161 1.00 74.34 C ATOM 501 NZ LYS A 33 12.705 -21.225 1.296 1.00 34.23 N ATOM 0 H LYS A 33 10.955 -18.630 -3.259 1.00 24.41 H new ATOM 0 HA LYS A 33 9.532 -17.498 -1.174 1.00 33.23 H new ATOM 0 HB2 LYS A 33 12.480 -17.200 -1.878 1.00 73.25 H new ATOM 0 HB3 LYS A 33 11.782 -16.874 -0.304 1.00 73.25 H new ATOM 0 HG2 LYS A 33 11.020 -19.284 -0.218 1.00 64.24 H new ATOM 0 HG3 LYS A 33 11.894 -19.565 -1.711 1.00 64.24 H new ATOM 0 HD2 LYS A 33 13.981 -18.669 -0.536 1.00 14.32 H new ATOM 0 HD3 LYS A 33 13.060 -18.680 0.955 1.00 14.32 H new ATOM 0 HE2 LYS A 33 13.225 -21.171 -0.756 1.00 74.34 H new ATOM 0 HE3 LYS A 33 14.534 -20.760 0.334 1.00 74.34 H new ATOM 0 HZ1 LYS A 33 12.946 -22.233 1.387 1.00 34.23 H new ATOM 0 HZ2 LYS A 33 12.953 -20.729 2.176 1.00 34.23 H new ATOM 0 HZ3 LYS A 33 11.685 -21.127 1.119 1.00 34.23 H new ATOM 515 N LEU A 34 11.129 -15.180 -2.925 1.00 40.32 N ATOM 516 CA LEU A 34 11.117 -13.763 -3.274 1.00 70.34 C ATOM 517 C LEU A 34 9.960 -13.445 -4.216 1.00 0.50 C ATOM 518 O LEU A 34 9.462 -12.320 -4.246 1.00 4.22 O ATOM 519 CB LEU A 34 12.443 -13.367 -3.925 1.00 63.14 C ATOM 520 CG LEU A 34 13.542 -12.892 -2.974 1.00 64.32 C ATOM 521 CD1 LEU A 34 13.089 -11.660 -2.207 1.00 72.01 C ATOM 522 CD2 LEU A 34 13.935 -14.006 -2.014 1.00 74.02 C ATOM 0 H LEU A 34 11.900 -15.709 -3.334 1.00 40.32 H new ATOM 0 HA LEU A 34 10.984 -13.189 -2.357 1.00 70.34 H new ATOM 0 HB2 LEU A 34 12.820 -14.223 -4.485 1.00 63.14 H new ATOM 0 HB3 LEU A 34 12.248 -12.574 -4.647 1.00 63.14 H new ATOM 0 HG LEU A 34 14.417 -12.624 -3.566 1.00 64.32 H new ATOM 0 HD11 LEU A 34 13.884 -11.337 -1.535 1.00 72.01 H new ATOM 0 HD12 LEU A 34 12.859 -10.859 -2.909 1.00 72.01 H new ATOM 0 HD13 LEU A 34 12.199 -11.900 -1.626 1.00 72.01 H new ATOM 0 HD21 LEU A 34 14.718 -13.650 -1.345 1.00 74.02 H new ATOM 0 HD22 LEU A 34 13.066 -14.305 -1.429 1.00 74.02 H new ATOM 0 HD23 LEU A 34 14.303 -14.861 -2.580 1.00 74.02 H new ATOM 534 N GLY A 35 9.535 -14.444 -4.983 1.00 20.10 N ATOM 535 CA GLY A 35 8.438 -14.251 -5.913 1.00 43.55 C ATOM 536 C GLY A 35 8.873 -13.545 -7.183 1.00 14.22 C ATOM 537 O GLY A 35 8.431 -12.430 -7.465 1.00 34.23 O ATOM 0 H GLY A 35 9.931 -15.384 -4.977 1.00 20.10 H new ATOM 0 HA2 GLY A 35 8.007 -15.219 -6.168 1.00 43.55 H new ATOM 0 HA3 GLY A 35 7.653 -13.670 -5.429 1.00 43.55 H new ATOM 541 N LEU A 36 9.742 -14.193 -7.950 1.00 73.13 N ATOM 542 CA LEU A 36 10.238 -13.620 -9.197 1.00 11.13 C ATOM 543 C LEU A 36 10.076 -14.604 -10.351 1.00 12.20 C ATOM 544 O LEU A 36 9.574 -15.713 -10.169 1.00 72.13 O ATOM 545 CB LEU A 36 11.709 -13.226 -9.050 1.00 33.11 C ATOM 546 CG LEU A 36 12.047 -12.326 -7.861 1.00 22.52 C ATOM 547 CD1 LEU A 36 13.548 -12.309 -7.614 1.00 72.45 C ATOM 548 CD2 LEU A 36 11.527 -10.916 -8.094 1.00 41.44 C ATOM 0 H LEU A 36 10.118 -15.115 -7.731 1.00 73.13 H new ATOM 0 HA LEU A 36 9.650 -12.729 -9.418 1.00 11.13 H new ATOM 0 HB2 LEU A 36 12.302 -14.137 -8.971 1.00 33.11 H new ATOM 0 HB3 LEU A 36 12.022 -12.720 -9.963 1.00 33.11 H new ATOM 0 HG LEU A 36 11.558 -12.730 -6.974 1.00 22.52 H new ATOM 0 HD11 LEU A 36 13.770 -11.663 -6.764 1.00 72.45 H new ATOM 0 HD12 LEU A 36 13.893 -13.321 -7.401 1.00 72.45 H new ATOM 0 HD13 LEU A 36 14.058 -11.931 -8.500 1.00 72.45 H new ATOM 0 HD21 LEU A 36 11.777 -10.290 -7.237 1.00 41.44 H new ATOM 0 HD22 LEU A 36 11.986 -10.503 -8.992 1.00 41.44 H new ATOM 0 HD23 LEU A 36 10.445 -10.944 -8.220 1.00 41.44 H new ATOM 560 N VAL A 37 10.506 -14.191 -11.539 1.00 2.41 N ATOM 561 CA VAL A 37 10.412 -15.036 -12.723 1.00 20.53 C ATOM 562 C VAL A 37 11.793 -15.482 -13.191 1.00 52.32 C ATOM 563 O VAL A 37 12.801 -15.192 -12.549 1.00 21.24 O ATOM 564 CB VAL A 37 9.700 -14.308 -13.878 1.00 42.20 C ATOM 565 CG1 VAL A 37 8.297 -13.892 -13.464 1.00 31.45 C ATOM 566 CG2 VAL A 37 10.511 -13.102 -14.327 1.00 5.31 C ATOM 0 H VAL A 37 10.923 -13.275 -11.707 1.00 2.41 H new ATOM 0 HA VAL A 37 9.827 -15.911 -12.441 1.00 20.53 H new ATOM 0 HB VAL A 37 9.615 -14.995 -14.720 1.00 42.20 H new ATOM 0 HG11 VAL A 37 7.810 -13.379 -14.293 1.00 31.45 H new ATOM 0 HG12 VAL A 37 7.720 -14.777 -13.195 1.00 31.45 H new ATOM 0 HG13 VAL A 37 8.354 -13.222 -12.606 1.00 31.45 H new ATOM 0 HG21 VAL A 37 9.993 -12.599 -15.144 1.00 5.31 H new ATOM 0 HG22 VAL A 37 10.629 -12.411 -13.492 1.00 5.31 H new ATOM 0 HG23 VAL A 37 11.493 -13.430 -14.667 1.00 5.31 H new ATOM 576 N GLY A 38 11.831 -16.188 -14.317 1.00 74.11 N ATOM 577 CA GLY A 38 13.093 -16.662 -14.853 1.00 60.05 C ATOM 578 C GLY A 38 13.066 -18.142 -15.178 1.00 71.40 C ATOM 579 O GLY A 38 11.996 -18.727 -15.353 1.00 5.41 O ATOM 0 H GLY A 38 11.010 -16.440 -14.867 1.00 74.11 H new ATOM 0 HA2 GLY A 38 13.335 -16.100 -15.755 1.00 60.05 H new ATOM 0 HA3 GLY A 38 13.887 -16.466 -14.132 1.00 60.05 H new ATOM 583 N TRP A 39 14.244 -18.750 -15.260 1.00 51.23 N ATOM 584 CA TRP A 39 14.351 -20.172 -15.568 1.00 53.52 C ATOM 585 C TRP A 39 15.746 -20.695 -15.244 1.00 75.34 C ATOM 586 O TRP A 39 16.601 -19.954 -14.762 1.00 3.53 O ATOM 587 CB TRP A 39 14.028 -20.421 -17.042 1.00 43.34 C ATOM 588 CG TRP A 39 14.939 -19.689 -17.982 1.00 22.35 C ATOM 589 CD1 TRP A 39 16.085 -20.167 -18.550 1.00 62.22 C ATOM 590 CD2 TRP A 39 14.781 -18.349 -18.459 1.00 13.10 C ATOM 591 NE1 TRP A 39 16.649 -19.204 -19.352 1.00 73.44 N ATOM 592 CE2 TRP A 39 15.867 -18.080 -19.314 1.00 62.12 C ATOM 593 CE3 TRP A 39 13.826 -17.350 -18.249 1.00 72.41 C ATOM 594 CZ2 TRP A 39 16.023 -16.855 -19.956 1.00 44.52 C ATOM 595 CZ3 TRP A 39 13.982 -16.134 -18.887 1.00 24.53 C ATOM 596 CH2 TRP A 39 15.074 -15.895 -19.732 1.00 73.15 C ATOM 0 H TRP A 39 15.138 -18.281 -15.118 1.00 51.23 H new ATOM 0 HA TRP A 39 13.630 -20.708 -14.950 1.00 53.52 H new ATOM 0 HB2 TRP A 39 14.091 -21.490 -17.245 1.00 43.34 H new ATOM 0 HB3 TRP A 39 12.999 -20.120 -17.237 1.00 43.34 H new ATOM 0 HD1 TRP A 39 16.489 -21.156 -18.392 1.00 62.22 H new ATOM 0 HE1 TRP A 39 17.510 -19.309 -19.888 1.00 73.44 H new ATOM 0 HE3 TRP A 39 12.981 -17.525 -17.600 1.00 72.41 H new ATOM 0 HZ2 TRP A 39 16.864 -16.669 -20.608 1.00 44.52 H new ATOM 0 HZ3 TRP A 39 13.250 -15.355 -18.732 1.00 24.53 H new ATOM 0 HH2 TRP A 39 15.168 -14.934 -20.216 1.00 73.15 H new ATOM 607 N VAL A 40 15.969 -21.978 -15.513 1.00 53.13 N ATOM 608 CA VAL A 40 17.261 -22.600 -15.252 1.00 31.34 C ATOM 609 C VAL A 40 17.642 -23.565 -16.368 1.00 63.44 C ATOM 610 O VAL A 40 16.824 -24.370 -16.813 1.00 14.33 O ATOM 611 CB VAL A 40 17.257 -23.359 -13.911 1.00 63.02 C ATOM 612 CG1 VAL A 40 18.659 -23.837 -13.564 1.00 71.34 C ATOM 613 CG2 VAL A 40 16.696 -22.480 -12.804 1.00 34.43 C ATOM 0 H VAL A 40 15.271 -22.606 -15.912 1.00 53.13 H new ATOM 0 HA VAL A 40 17.996 -21.796 -15.205 1.00 31.34 H new ATOM 0 HB VAL A 40 16.615 -24.234 -14.010 1.00 63.02 H new ATOM 0 HG11 VAL A 40 18.637 -24.371 -12.614 1.00 71.34 H new ATOM 0 HG12 VAL A 40 19.020 -24.504 -14.347 1.00 71.34 H new ATOM 0 HG13 VAL A 40 19.326 -22.979 -13.482 1.00 71.34 H new ATOM 0 HG21 VAL A 40 16.700 -23.032 -11.864 1.00 34.43 H new ATOM 0 HG22 VAL A 40 17.311 -21.586 -12.703 1.00 34.43 H new ATOM 0 HG23 VAL A 40 15.674 -22.192 -13.051 1.00 34.43 H new ATOM 623 N GLN A 41 18.890 -23.479 -16.817 1.00 25.52 N ATOM 624 CA GLN A 41 19.380 -24.346 -17.882 1.00 42.25 C ATOM 625 C GLN A 41 20.816 -24.783 -17.612 1.00 42.43 C ATOM 626 O GLN A 41 21.414 -24.396 -16.609 1.00 63.12 O ATOM 627 CB GLN A 41 19.298 -23.628 -19.231 1.00 0.34 C ATOM 628 CG GLN A 41 17.961 -23.801 -19.932 1.00 34.40 C ATOM 629 CD GLN A 41 17.930 -25.016 -20.838 1.00 22.50 C ATOM 630 OE1 GLN A 41 18.462 -26.073 -20.496 1.00 74.44 O ATOM 631 NE2 GLN A 41 17.306 -24.872 -22.001 1.00 60.42 N ATOM 0 H GLN A 41 19.580 -22.818 -16.460 1.00 25.52 H new ATOM 0 HA GLN A 41 18.749 -25.234 -17.912 1.00 42.25 H new ATOM 0 HB2 GLN A 41 19.484 -22.565 -19.079 1.00 0.34 H new ATOM 0 HB3 GLN A 41 20.090 -24.001 -19.880 1.00 0.34 H new ATOM 0 HG2 GLN A 41 17.172 -23.889 -19.185 1.00 34.40 H new ATOM 0 HG3 GLN A 41 17.745 -22.909 -20.520 1.00 34.40 H new ATOM 0 HE21 GLN A 41 16.879 -23.978 -22.243 1.00 60.42 H new ATOM 0 HE22 GLN A 41 17.253 -25.655 -22.652 1.00 60.42 H new ATOM 640 N ASN A 42 21.363 -25.591 -18.514 1.00 43.15 N ATOM 641 CA ASN A 42 22.729 -26.081 -18.373 1.00 25.34 C ATOM 642 C ASN A 42 23.515 -25.885 -19.666 1.00 0.43 C ATOM 643 O ASN A 42 22.937 -25.647 -20.727 1.00 21.20 O ATOM 644 CB ASN A 42 22.725 -27.562 -17.986 1.00 14.42 C ATOM 645 CG ASN A 42 22.271 -28.455 -19.124 1.00 72.10 C ATOM 646 OD1 ASN A 42 21.641 -27.995 -20.076 1.00 54.40 O ATOM 647 ND2 ASN A 42 22.590 -29.741 -19.030 1.00 40.31 N ATOM 0 H ASN A 42 20.881 -25.920 -19.351 1.00 43.15 H new ATOM 0 HA ASN A 42 23.214 -25.507 -17.584 1.00 25.34 H new ATOM 0 HB2 ASN A 42 23.727 -27.856 -17.675 1.00 14.42 H new ATOM 0 HB3 ASN A 42 22.069 -27.709 -17.128 1.00 14.42 H new ATOM 0 HD21 ASN A 42 22.311 -30.391 -19.765 1.00 40.31 H new ATOM 0 HD22 ASN A 42 23.114 -30.079 -18.222 1.00 40.31 H new ATOM 654 N THR A 43 24.837 -25.986 -19.570 1.00 2.32 N ATOM 655 CA THR A 43 25.703 -25.819 -20.730 1.00 54.34 C ATOM 656 C THR A 43 26.525 -27.076 -20.989 1.00 33.22 C ATOM 657 O THR A 43 26.443 -28.048 -20.237 1.00 50.04 O ATOM 658 CB THR A 43 26.657 -24.623 -20.552 1.00 40.21 C ATOM 659 OG1 THR A 43 27.620 -24.912 -19.533 1.00 22.51 O ATOM 660 CG2 THR A 43 25.885 -23.365 -20.185 1.00 1.43 C ATOM 0 H THR A 43 25.331 -26.183 -18.700 1.00 2.32 H new ATOM 0 HA THR A 43 25.053 -25.631 -21.584 1.00 54.34 H new ATOM 0 HB THR A 43 27.170 -24.452 -21.498 1.00 40.21 H new ATOM 0 HG1 THR A 43 27.452 -24.342 -18.753 1.00 22.51 H new ATOM 0 HG21 THR A 43 26.580 -22.534 -20.065 1.00 1.43 H new ATOM 0 HG22 THR A 43 25.173 -23.131 -20.977 1.00 1.43 H new ATOM 0 HG23 THR A 43 25.348 -23.527 -19.250 1.00 1.43 H new ATOM 668 N ASP A 44 27.317 -27.051 -22.055 1.00 54.21 N ATOM 669 CA ASP A 44 28.156 -28.189 -22.412 1.00 33.05 C ATOM 670 C ASP A 44 29.632 -27.860 -22.211 1.00 53.23 C ATOM 671 O ASP A 44 30.501 -28.436 -22.866 1.00 33.45 O ATOM 672 CB ASP A 44 27.904 -28.600 -23.863 1.00 65.31 C ATOM 673 CG ASP A 44 26.499 -29.126 -24.081 1.00 23.11 C ATOM 674 OD1 ASP A 44 26.068 -30.004 -23.305 1.00 12.33 O ATOM 675 OD2 ASP A 44 25.831 -28.661 -25.028 1.00 45.33 O ATOM 0 H ASP A 44 27.396 -26.255 -22.687 1.00 54.21 H new ATOM 0 HA ASP A 44 27.896 -29.021 -21.757 1.00 33.05 H new ATOM 0 HB2 ASP A 44 28.073 -27.743 -24.515 1.00 65.31 H new ATOM 0 HB3 ASP A 44 28.624 -29.366 -24.151 1.00 65.31 H new ATOM 680 N ARG A 45 29.907 -26.929 -21.304 1.00 3.22 N ATOM 681 CA ARG A 45 31.278 -26.521 -21.019 1.00 72.23 C ATOM 682 C ARG A 45 31.687 -26.936 -19.609 1.00 72.30 C ATOM 683 O ARG A 45 32.453 -27.881 -19.427 1.00 21.23 O ATOM 684 CB ARG A 45 31.426 -25.007 -21.180 1.00 30.11 C ATOM 685 CG ARG A 45 31.776 -24.576 -22.595 1.00 31.11 C ATOM 686 CD ARG A 45 33.202 -24.961 -22.958 1.00 14.00 C ATOM 687 NE ARG A 45 33.483 -24.743 -24.374 1.00 64.43 N ATOM 688 CZ ARG A 45 34.699 -24.829 -24.903 1.00 72.34 C ATOM 689 NH1 ARG A 45 35.739 -25.127 -24.138 1.00 23.14 N ATOM 690 NH2 ARG A 45 34.875 -24.618 -26.201 1.00 41.44 N ATOM 0 H ARG A 45 29.199 -26.443 -20.754 1.00 3.22 H new ATOM 0 HA ARG A 45 31.935 -27.021 -21.731 1.00 72.23 H new ATOM 0 HB2 ARG A 45 30.494 -24.526 -20.883 1.00 30.11 H new ATOM 0 HB3 ARG A 45 32.200 -24.652 -20.499 1.00 30.11 H new ATOM 0 HG2 ARG A 45 31.083 -25.037 -23.299 1.00 31.11 H new ATOM 0 HG3 ARG A 45 31.654 -23.497 -22.688 1.00 31.11 H new ATOM 0 HD2 ARG A 45 33.899 -24.378 -22.356 1.00 14.00 H new ATOM 0 HD3 ARG A 45 33.368 -26.010 -22.713 1.00 14.00 H new ATOM 0 HE ARG A 45 32.704 -24.512 -24.991 1.00 64.43 H new ATOM 0 HH11 ARG A 45 35.608 -25.291 -23.140 1.00 23.14 H new ATOM 0 HH12 ARG A 45 36.671 -25.192 -24.547 1.00 23.14 H new ATOM 0 HH21 ARG A 45 34.077 -24.390 -26.793 1.00 41.44 H new ATOM 0 HH22 ARG A 45 35.809 -24.684 -26.606 1.00 41.44 H new ATOM 704 N GLY A 46 31.170 -26.222 -18.614 1.00 12.22 N ATOM 705 CA GLY A 46 31.493 -26.531 -17.233 1.00 40.51 C ATOM 706 C GLY A 46 31.002 -25.467 -16.271 1.00 35.40 C ATOM 707 O GLY A 46 31.662 -25.165 -15.277 1.00 4.23 O ATOM 0 H GLY A 46 30.533 -25.435 -18.739 1.00 12.22 H new ATOM 0 HA2 GLY A 46 31.050 -27.491 -16.965 1.00 40.51 H new ATOM 0 HA3 GLY A 46 32.573 -26.638 -17.131 1.00 40.51 H new ATOM 711 N THR A 47 29.838 -24.896 -16.566 1.00 70.14 N ATOM 712 CA THR A 47 29.260 -23.858 -15.722 1.00 73.51 C ATOM 713 C THR A 47 27.758 -23.736 -15.952 1.00 52.25 C ATOM 714 O THR A 47 27.274 -23.916 -17.070 1.00 62.02 O ATOM 715 CB THR A 47 29.921 -22.491 -15.980 1.00 34.20 C ATOM 716 OG1 THR A 47 30.364 -22.410 -17.339 1.00 62.10 O ATOM 717 CG2 THR A 47 31.099 -22.274 -15.043 1.00 30.43 C ATOM 0 H THR A 47 29.277 -25.135 -17.384 1.00 70.14 H new ATOM 0 HA THR A 47 29.444 -24.152 -14.689 1.00 73.51 H new ATOM 0 HB THR A 47 29.181 -21.713 -15.793 1.00 34.20 H new ATOM 0 HG1 THR A 47 30.782 -21.537 -17.495 1.00 62.10 H new ATOM 0 HG21 THR A 47 31.550 -21.302 -15.244 1.00 30.43 H new ATOM 0 HG22 THR A 47 30.753 -22.307 -14.010 1.00 30.43 H new ATOM 0 HG23 THR A 47 31.840 -23.057 -15.203 1.00 30.43 H new ATOM 725 N VAL A 48 27.024 -23.427 -14.888 1.00 73.11 N ATOM 726 CA VAL A 48 25.576 -23.278 -14.975 1.00 71.31 C ATOM 727 C VAL A 48 25.188 -21.832 -15.264 1.00 65.42 C ATOM 728 O VAL A 48 25.788 -20.901 -14.729 1.00 1.41 O ATOM 729 CB VAL A 48 24.886 -23.733 -13.675 1.00 51.02 C ATOM 730 CG1 VAL A 48 23.375 -23.622 -13.806 1.00 35.12 C ATOM 731 CG2 VAL A 48 25.296 -25.155 -13.324 1.00 61.22 C ATOM 0 H VAL A 48 27.408 -23.275 -13.955 1.00 73.11 H new ATOM 0 HA VAL A 48 25.242 -23.912 -15.796 1.00 71.31 H new ATOM 0 HB VAL A 48 25.206 -23.077 -12.865 1.00 51.02 H new ATOM 0 HG11 VAL A 48 22.904 -23.948 -12.878 1.00 35.12 H new ATOM 0 HG12 VAL A 48 23.102 -22.586 -14.007 1.00 35.12 H new ATOM 0 HG13 VAL A 48 23.034 -24.253 -14.627 1.00 35.12 H new ATOM 0 HG21 VAL A 48 24.799 -25.460 -12.403 1.00 61.22 H new ATOM 0 HG22 VAL A 48 25.007 -25.827 -14.132 1.00 61.22 H new ATOM 0 HG23 VAL A 48 26.376 -25.198 -13.185 1.00 61.22 H new ATOM 741 N GLN A 49 24.182 -21.654 -16.114 1.00 1.12 N ATOM 742 CA GLN A 49 23.715 -20.321 -16.474 1.00 53.52 C ATOM 743 C GLN A 49 22.218 -20.181 -16.218 1.00 53.24 C ATOM 744 O GLN A 49 21.463 -21.144 -16.347 1.00 42.13 O ATOM 745 CB GLN A 49 24.022 -20.029 -17.944 1.00 64.30 C ATOM 746 CG GLN A 49 25.415 -19.465 -18.174 1.00 11.42 C ATOM 747 CD GLN A 49 25.580 -18.862 -19.555 1.00 71.43 C ATOM 748 OE1 GLN A 49 24.808 -19.155 -20.469 1.00 12.12 O ATOM 749 NE2 GLN A 49 26.590 -18.016 -19.715 1.00 41.55 N ATOM 0 H GLN A 49 23.675 -22.415 -16.566 1.00 1.12 H new ATOM 0 HA GLN A 49 24.241 -19.599 -15.850 1.00 53.52 H new ATOM 0 HB2 GLN A 49 23.912 -20.948 -18.519 1.00 64.30 H new ATOM 0 HB3 GLN A 49 23.285 -19.323 -18.327 1.00 64.30 H new ATOM 0 HG2 GLN A 49 25.623 -18.704 -17.422 1.00 11.42 H new ATOM 0 HG3 GLN A 49 26.151 -20.258 -18.038 1.00 11.42 H new ATOM 0 HE21 GLN A 49 27.205 -17.802 -18.930 1.00 41.55 H new ATOM 0 HE22 GLN A 49 26.751 -17.580 -20.623 1.00 41.55 H new ATOM 758 N GLY A 50 21.794 -18.974 -15.854 1.00 44.05 N ATOM 759 CA GLY A 50 20.389 -18.731 -15.586 1.00 2.43 C ATOM 760 C GLY A 50 20.039 -17.256 -15.622 1.00 72.34 C ATOM 761 O GLY A 50 20.910 -16.401 -15.468 1.00 24.32 O ATOM 0 H GLY A 50 22.399 -18.161 -15.740 1.00 44.05 H new ATOM 0 HA2 GLY A 50 19.785 -19.263 -16.321 1.00 2.43 H new ATOM 0 HA3 GLY A 50 20.133 -19.138 -14.608 1.00 2.43 H new ATOM 765 N GLN A 51 18.760 -16.959 -15.829 1.00 41.51 N ATOM 766 CA GLN A 51 18.298 -15.577 -15.888 1.00 51.11 C ATOM 767 C GLN A 51 17.369 -15.263 -14.720 1.00 22.23 C ATOM 768 O GLN A 51 16.695 -16.150 -14.193 1.00 44.21 O ATOM 769 CB GLN A 51 17.578 -15.314 -17.212 1.00 2.31 C ATOM 770 CG GLN A 51 18.506 -14.865 -18.330 1.00 35.31 C ATOM 771 CD GLN A 51 18.657 -13.358 -18.393 1.00 24.20 C ATOM 772 OE1 GLN A 51 19.480 -12.808 -17.508 1.00 34.10 O flip ATOM 773 NE2 GLN A 51 18.042 -12.695 -19.228 1.00 24.32 N flip ATOM 0 H GLN A 51 18.026 -17.656 -15.958 1.00 41.51 H new ATOM 0 HA GLN A 51 19.170 -14.926 -15.820 1.00 51.11 H new ATOM 0 HB2 GLN A 51 17.062 -16.223 -17.522 1.00 2.31 H new ATOM 0 HB3 GLN A 51 16.815 -14.551 -17.056 1.00 2.31 H new ATOM 0 HG2 GLN A 51 19.487 -15.319 -18.187 1.00 35.31 H new ATOM 0 HG3 GLN A 51 18.122 -15.228 -19.283 1.00 35.31 H new ATOM 0 HE21 GLN A 51 17.420 -13.159 -19.890 1.00 24.32 H new ATOM 0 HE22 GLN A 51 18.155 -11.682 -19.258 1.00 24.32 H new ATOM 782 N LEU A 52 17.338 -13.997 -14.318 1.00 63.34 N ATOM 783 CA LEU A 52 16.492 -13.566 -13.211 1.00 50.03 C ATOM 784 C LEU A 52 15.992 -12.142 -13.431 1.00 1.33 C ATOM 785 O LEU A 52 16.659 -11.333 -14.075 1.00 50.31 O ATOM 786 CB LEU A 52 17.262 -13.651 -11.892 1.00 54.00 C ATOM 787 CG LEU A 52 16.538 -13.114 -10.657 1.00 12.41 C ATOM 788 CD1 LEU A 52 15.286 -13.930 -10.374 1.00 40.35 C ATOM 789 CD2 LEU A 52 17.465 -13.121 -9.450 1.00 51.22 C ATOM 0 H LEU A 52 17.889 -13.251 -14.742 1.00 63.34 H new ATOM 0 HA LEU A 52 15.630 -14.231 -13.164 1.00 50.03 H new ATOM 0 HB2 LEU A 52 17.521 -14.694 -11.712 1.00 54.00 H new ATOM 0 HB3 LEU A 52 18.199 -13.105 -12.005 1.00 54.00 H new ATOM 0 HG LEU A 52 16.239 -12.085 -10.855 1.00 12.41 H new ATOM 0 HD11 LEU A 52 14.784 -13.533 -9.492 1.00 40.35 H new ATOM 0 HD12 LEU A 52 14.614 -13.873 -11.230 1.00 40.35 H new ATOM 0 HD13 LEU A 52 15.562 -14.970 -10.197 1.00 40.35 H new ATOM 0 HD21 LEU A 52 16.933 -12.736 -8.580 1.00 51.22 H new ATOM 0 HD22 LEU A 52 17.795 -14.140 -9.251 1.00 51.22 H new ATOM 0 HD23 LEU A 52 18.332 -12.492 -9.653 1.00 51.22 H new ATOM 801 N GLN A 53 14.816 -11.843 -12.889 1.00 10.34 N ATOM 802 CA GLN A 53 14.228 -10.515 -13.024 1.00 62.23 C ATOM 803 C GLN A 53 13.472 -10.123 -11.760 1.00 34.05 C ATOM 804 O GLN A 53 13.198 -10.962 -10.902 1.00 45.12 O ATOM 805 CB GLN A 53 13.287 -10.472 -14.230 1.00 5.23 C ATOM 806 CG GLN A 53 13.881 -11.085 -15.487 1.00 65.05 C ATOM 807 CD GLN A 53 13.199 -10.600 -16.751 1.00 64.15 C ATOM 808 OE1 GLN A 53 12.456 -9.618 -16.732 1.00 64.32 O ATOM 809 NE2 GLN A 53 13.449 -11.287 -17.860 1.00 73.30 N ATOM 0 H GLN A 53 14.252 -12.502 -12.352 1.00 10.34 H new ATOM 0 HA GLN A 53 15.037 -9.801 -13.177 1.00 62.23 H new ATOM 0 HB2 GLN A 53 12.365 -10.998 -13.980 1.00 5.23 H new ATOM 0 HB3 GLN A 53 13.018 -9.436 -14.433 1.00 5.23 H new ATOM 0 HG2 GLN A 53 14.943 -10.845 -15.537 1.00 65.05 H new ATOM 0 HG3 GLN A 53 13.802 -12.171 -15.430 1.00 65.05 H new ATOM 0 HE21 GLN A 53 14.071 -12.095 -17.830 1.00 73.30 H new ATOM 0 HE22 GLN A 53 13.019 -11.007 -18.741 1.00 73.30 H new ATOM 818 N GLY A 54 13.136 -8.841 -11.650 1.00 73.10 N ATOM 819 CA GLY A 54 12.414 -8.360 -10.486 1.00 63.04 C ATOM 820 C GLY A 54 12.874 -6.984 -10.047 1.00 25.33 C ATOM 821 O GLY A 54 13.754 -6.376 -10.657 1.00 11.00 O ATOM 0 H GLY A 54 13.351 -8.127 -12.346 1.00 73.10 H new ATOM 0 HA2 GLY A 54 11.348 -8.329 -10.711 1.00 63.04 H new ATOM 0 HA3 GLY A 54 12.546 -9.063 -9.664 1.00 63.04 H new ATOM 825 N PRO A 55 12.271 -6.472 -8.964 1.00 21.33 N ATOM 826 CA PRO A 55 12.607 -5.153 -8.420 1.00 24.45 C ATOM 827 C PRO A 55 13.992 -5.125 -7.782 1.00 64.12 C ATOM 828 O PRO A 55 14.456 -6.128 -7.238 1.00 13.44 O ATOM 829 CB PRO A 55 11.527 -4.920 -7.361 1.00 33.42 C ATOM 830 CG PRO A 55 11.092 -6.287 -6.956 1.00 4.32 C ATOM 831 CD PRO A 55 11.215 -7.142 -8.187 1.00 14.14 C ATOM 0 HA PRO A 55 12.635 -4.388 -9.196 1.00 24.45 H new ATOM 0 HB2 PRO A 55 11.920 -4.362 -6.511 1.00 33.42 H new ATOM 0 HB3 PRO A 55 10.695 -4.343 -7.764 1.00 33.42 H new ATOM 0 HG2 PRO A 55 11.716 -6.672 -6.149 1.00 4.32 H new ATOM 0 HG3 PRO A 55 10.066 -6.277 -6.588 1.00 4.32 H new ATOM 0 HD2 PRO A 55 11.488 -8.167 -7.938 1.00 14.14 H new ATOM 0 HD3 PRO A 55 10.277 -7.187 -8.740 1.00 14.14 H new ATOM 839 N ILE A 56 14.648 -3.972 -7.853 1.00 51.54 N ATOM 840 CA ILE A 56 15.979 -3.814 -7.282 1.00 3.54 C ATOM 841 C ILE A 56 15.988 -4.177 -5.801 1.00 2.34 C ATOM 842 O ILE A 56 17.021 -4.558 -5.251 1.00 23.23 O ATOM 843 CB ILE A 56 16.496 -2.372 -7.448 1.00 62.33 C ATOM 844 CG1 ILE A 56 17.967 -2.284 -7.036 1.00 11.13 C ATOM 845 CG2 ILE A 56 15.652 -1.409 -6.628 1.00 55.44 C ATOM 846 CD1 ILE A 56 18.712 -1.143 -7.694 1.00 35.33 C ATOM 0 H ILE A 56 14.279 -3.133 -8.301 1.00 51.54 H new ATOM 0 HA ILE A 56 16.637 -4.492 -7.825 1.00 3.54 H new ATOM 0 HB ILE A 56 16.415 -2.091 -8.498 1.00 62.33 H new ATOM 0 HG12 ILE A 56 18.027 -2.170 -5.954 1.00 11.13 H new ATOM 0 HG13 ILE A 56 18.462 -3.222 -7.285 1.00 11.13 H new ATOM 0 HG21 ILE A 56 16.030 -0.395 -6.756 1.00 55.44 H new ATOM 0 HG22 ILE A 56 14.616 -1.456 -6.965 1.00 55.44 H new ATOM 0 HG23 ILE A 56 15.704 -1.686 -5.575 1.00 55.44 H new ATOM 0 HD11 ILE A 56 19.748 -1.142 -7.356 1.00 35.33 H new ATOM 0 HD12 ILE A 56 18.684 -1.266 -8.777 1.00 35.33 H new ATOM 0 HD13 ILE A 56 18.241 -0.198 -7.424 1.00 35.33 H new ATOM 858 N SER A 57 14.829 -4.057 -5.161 1.00 24.14 N ATOM 859 CA SER A 57 14.704 -4.371 -3.742 1.00 54.11 C ATOM 860 C SER A 57 14.774 -5.877 -3.511 1.00 32.33 C ATOM 861 O SER A 57 15.142 -6.335 -2.429 1.00 23.02 O ATOM 862 CB SER A 57 13.387 -3.820 -3.191 1.00 3.41 C ATOM 863 OG SER A 57 13.151 -4.286 -1.874 1.00 12.12 O ATOM 0 H SER A 57 13.964 -3.745 -5.602 1.00 24.14 H new ATOM 0 HA SER A 57 15.535 -3.901 -3.216 1.00 54.11 H new ATOM 0 HB2 SER A 57 13.415 -2.730 -3.195 1.00 3.41 H new ATOM 0 HB3 SER A 57 12.564 -4.120 -3.839 1.00 3.41 H new ATOM 0 HG SER A 57 12.305 -3.919 -1.544 1.00 12.12 H new ATOM 869 N LYS A 58 14.417 -6.644 -4.536 1.00 24.14 N ATOM 870 CA LYS A 58 14.440 -8.099 -4.447 1.00 61.33 C ATOM 871 C LYS A 58 15.686 -8.666 -5.120 1.00 4.20 C ATOM 872 O LYS A 58 16.186 -9.723 -4.734 1.00 4.50 O ATOM 873 CB LYS A 58 13.185 -8.690 -5.095 1.00 3.34 C ATOM 874 CG LYS A 58 11.931 -8.519 -4.256 1.00 34.22 C ATOM 875 CD LYS A 58 10.727 -9.172 -4.914 1.00 54.34 C ATOM 876 CE LYS A 58 9.425 -8.540 -4.447 1.00 13.54 C ATOM 877 NZ LYS A 58 9.154 -8.826 -3.011 1.00 35.14 N ATOM 0 H LYS A 58 14.108 -6.282 -5.438 1.00 24.14 H new ATOM 0 HA LYS A 58 14.461 -8.373 -3.392 1.00 61.33 H new ATOM 0 HB2 LYS A 58 13.030 -8.218 -6.065 1.00 3.34 H new ATOM 0 HB3 LYS A 58 13.347 -9.752 -5.279 1.00 3.34 H new ATOM 0 HG2 LYS A 58 12.089 -8.956 -3.270 1.00 34.22 H new ATOM 0 HG3 LYS A 58 11.734 -7.457 -4.107 1.00 34.22 H new ATOM 0 HD2 LYS A 58 10.809 -9.081 -5.997 1.00 54.34 H new ATOM 0 HD3 LYS A 58 10.719 -10.237 -4.684 1.00 54.34 H new ATOM 0 HE2 LYS A 58 9.469 -7.462 -4.601 1.00 13.54 H new ATOM 0 HE3 LYS A 58 8.601 -8.915 -5.054 1.00 13.54 H new ATOM 0 HZ1 LYS A 58 8.258 -8.378 -2.731 1.00 35.14 H new ATOM 0 HZ2 LYS A 58 9.087 -9.854 -2.868 1.00 35.14 H new ATOM 0 HZ3 LYS A 58 9.928 -8.446 -2.429 1.00 35.14 H new ATOM 891 N VAL A 59 16.185 -7.956 -6.127 1.00 55.42 N ATOM 892 CA VAL A 59 17.374 -8.386 -6.852 1.00 22.43 C ATOM 893 C VAL A 59 18.633 -8.170 -6.019 1.00 50.13 C ATOM 894 O VAL A 59 19.578 -8.956 -6.088 1.00 72.22 O ATOM 895 CB VAL A 59 17.520 -7.635 -8.188 1.00 62.12 C ATOM 896 CG1 VAL A 59 18.701 -8.177 -8.980 1.00 34.34 C ATOM 897 CG2 VAL A 59 16.235 -7.733 -8.997 1.00 5.30 C ATOM 0 H VAL A 59 15.783 -7.079 -6.459 1.00 55.42 H new ATOM 0 HA VAL A 59 17.254 -9.450 -7.054 1.00 22.43 H new ATOM 0 HB VAL A 59 17.709 -6.583 -7.975 1.00 62.12 H new ATOM 0 HG11 VAL A 59 18.788 -7.634 -9.921 1.00 34.34 H new ATOM 0 HG12 VAL A 59 19.616 -8.050 -8.402 1.00 34.34 H new ATOM 0 HG13 VAL A 59 18.546 -9.236 -9.185 1.00 34.34 H new ATOM 0 HG21 VAL A 59 16.356 -7.197 -9.938 1.00 5.30 H new ATOM 0 HG22 VAL A 59 16.013 -8.780 -9.202 1.00 5.30 H new ATOM 0 HG23 VAL A 59 15.414 -7.292 -8.431 1.00 5.30 H new ATOM 907 N ARG A 60 18.639 -7.099 -5.233 1.00 15.24 N ATOM 908 CA ARG A 60 19.782 -6.778 -4.387 1.00 31.02 C ATOM 909 C ARG A 60 19.933 -7.802 -3.266 1.00 64.51 C ATOM 910 O ARG A 60 21.030 -8.013 -2.747 1.00 42.21 O ATOM 911 CB ARG A 60 19.627 -5.376 -3.794 1.00 22.54 C ATOM 912 CG ARG A 60 20.220 -4.279 -4.662 1.00 3.24 C ATOM 913 CD ARG A 60 21.697 -4.071 -4.365 1.00 2.22 C ATOM 914 NE ARG A 60 21.908 -3.115 -3.280 1.00 62.55 N ATOM 915 CZ ARG A 60 23.082 -2.554 -3.014 1.00 41.52 C ATOM 916 NH1 ARG A 60 24.145 -2.849 -3.750 1.00 75.41 N ATOM 917 NH2 ARG A 60 23.195 -1.693 -2.010 1.00 74.24 N ATOM 0 H ARG A 60 17.865 -6.438 -5.164 1.00 15.24 H new ATOM 0 HA ARG A 60 20.679 -6.806 -5.005 1.00 31.02 H new ATOM 0 HB2 ARG A 60 18.568 -5.172 -3.638 1.00 22.54 H new ATOM 0 HB3 ARG A 60 20.104 -5.350 -2.814 1.00 22.54 H new ATOM 0 HG2 ARG A 60 20.092 -4.536 -5.713 1.00 3.24 H new ATOM 0 HG3 ARG A 60 19.679 -3.348 -4.493 1.00 3.24 H new ATOM 0 HD2 ARG A 60 22.152 -5.026 -4.100 1.00 2.22 H new ATOM 0 HD3 ARG A 60 22.201 -3.716 -5.264 1.00 2.22 H new ATOM 0 HE ARG A 60 21.110 -2.865 -2.695 1.00 62.55 H new ATOM 0 HH11 ARG A 60 24.063 -3.509 -4.523 1.00 75.41 H new ATOM 0 HH12 ARG A 60 25.045 -2.416 -3.543 1.00 75.41 H new ATOM 0 HH21 ARG A 60 22.380 -1.462 -1.442 1.00 74.24 H new ATOM 0 HH22 ARG A 60 24.097 -1.263 -1.806 1.00 74.24 H new ATOM 931 N HIS A 61 18.825 -8.437 -2.897 1.00 40.13 N ATOM 932 CA HIS A 61 18.835 -9.440 -1.838 1.00 55.40 C ATOM 933 C HIS A 61 18.997 -10.841 -2.418 1.00 61.32 C ATOM 934 O HIS A 61 19.665 -11.692 -1.832 1.00 23.21 O ATOM 935 CB HIS A 61 17.545 -9.360 -1.020 1.00 3.01 C ATOM 936 CG HIS A 61 17.624 -8.404 0.130 1.00 20.15 C ATOM 937 ND1 HIS A 61 18.324 -7.217 0.076 1.00 21.34 N ATOM 938 CD2 HIS A 61 17.084 -8.464 1.370 1.00 32.31 C ATOM 939 CE1 HIS A 61 18.213 -6.590 1.233 1.00 15.34 C ATOM 940 NE2 HIS A 61 17.464 -7.325 2.036 1.00 63.21 N ATOM 0 H HIS A 61 17.909 -8.275 -3.316 1.00 40.13 H new ATOM 0 HA HIS A 61 19.684 -9.236 -1.186 1.00 55.40 H new ATOM 0 HB2 HIS A 61 16.727 -9.061 -1.675 1.00 3.01 H new ATOM 0 HB3 HIS A 61 17.303 -10.353 -0.641 1.00 3.01 H new ATOM 0 HD2 HIS A 61 16.469 -9.260 1.762 1.00 32.31 H new ATOM 0 HE1 HIS A 61 18.659 -5.638 1.481 1.00 15.34 H new ATOM 0 HE2 HIS A 61 17.210 -7.085 2.994 1.00 63.21 H new ATOM 948 N MET A 62 18.381 -11.074 -3.573 1.00 11.34 N ATOM 949 CA MET A 62 18.458 -12.372 -4.232 1.00 21.34 C ATOM 950 C MET A 62 19.851 -12.607 -4.809 1.00 35.25 C ATOM 951 O MET A 62 20.290 -13.749 -4.947 1.00 54.50 O ATOM 952 CB MET A 62 17.410 -12.468 -5.342 1.00 44.43 C ATOM 953 CG MET A 62 17.108 -13.894 -5.771 1.00 74.15 C ATOM 954 SD MET A 62 16.047 -14.762 -4.599 1.00 42.24 S ATOM 955 CE MET A 62 14.932 -15.610 -5.715 1.00 63.13 C ATOM 0 H MET A 62 17.823 -10.380 -4.071 1.00 11.34 H new ATOM 0 HA MET A 62 18.258 -13.142 -3.487 1.00 21.34 H new ATOM 0 HB2 MET A 62 16.488 -11.997 -5.002 1.00 44.43 H new ATOM 0 HB3 MET A 62 17.756 -11.903 -6.207 1.00 44.43 H new ATOM 0 HG2 MET A 62 16.628 -13.881 -6.749 1.00 74.15 H new ATOM 0 HG3 MET A 62 18.044 -14.442 -5.883 1.00 74.15 H new ATOM 0 HE1 MET A 62 14.460 -16.443 -5.194 1.00 63.13 H new ATOM 0 HE2 MET A 62 14.165 -14.916 -6.060 1.00 63.13 H new ATOM 0 HE3 MET A 62 15.491 -15.987 -6.571 1.00 63.13 H new ATOM 965 N GLN A 63 20.539 -11.520 -5.143 1.00 73.50 N ATOM 966 CA GLN A 63 21.881 -11.610 -5.706 1.00 12.01 C ATOM 967 C GLN A 63 22.901 -11.962 -4.628 1.00 73.41 C ATOM 968 O GLN A 63 23.947 -12.542 -4.917 1.00 42.31 O ATOM 969 CB GLN A 63 22.265 -10.290 -6.376 1.00 12.41 C ATOM 970 CG GLN A 63 22.505 -9.156 -5.392 1.00 42.44 C ATOM 971 CD GLN A 63 22.831 -7.845 -6.081 1.00 53.11 C ATOM 972 OE1 GLN A 63 22.291 -7.538 -7.145 1.00 23.53 O ATOM 973 NE2 GLN A 63 23.717 -7.063 -5.477 1.00 3.53 N ATOM 0 H GLN A 63 20.190 -10.568 -5.034 1.00 73.50 H new ATOM 0 HA GLN A 63 21.882 -12.403 -6.454 1.00 12.01 H new ATOM 0 HB2 GLN A 63 23.167 -10.442 -6.969 1.00 12.41 H new ATOM 0 HB3 GLN A 63 21.474 -9.999 -7.067 1.00 12.41 H new ATOM 0 HG2 GLN A 63 21.619 -9.025 -4.771 1.00 42.44 H new ATOM 0 HG3 GLN A 63 23.324 -9.425 -4.726 1.00 42.44 H new ATOM 0 HE21 GLN A 63 24.140 -7.357 -4.596 1.00 3.53 H new ATOM 0 HE22 GLN A 63 23.975 -6.168 -5.893 1.00 3.53 H new ATOM 982 N GLU A 64 22.588 -11.608 -3.386 1.00 32.34 N ATOM 983 CA GLU A 64 23.479 -11.887 -2.265 1.00 53.33 C ATOM 984 C GLU A 64 23.031 -13.135 -1.511 1.00 74.31 C ATOM 985 O GLU A 64 23.789 -13.704 -0.726 1.00 32.23 O ATOM 986 CB GLU A 64 23.525 -10.691 -1.312 1.00 52.30 C ATOM 987 CG GLU A 64 22.196 -10.400 -0.635 1.00 72.41 C ATOM 988 CD GLU A 64 22.327 -9.414 0.509 1.00 50.53 C ATOM 989 OE1 GLU A 64 23.252 -8.576 0.465 1.00 2.33 O ATOM 990 OE2 GLU A 64 21.505 -9.479 1.447 1.00 44.14 O ATOM 0 H GLU A 64 21.725 -11.128 -3.130 1.00 32.34 H new ATOM 0 HA GLU A 64 24.478 -12.064 -2.664 1.00 53.33 H new ATOM 0 HB2 GLU A 64 24.280 -10.875 -0.548 1.00 52.30 H new ATOM 0 HB3 GLU A 64 23.842 -9.808 -1.866 1.00 52.30 H new ATOM 0 HG2 GLU A 64 21.496 -10.005 -1.372 1.00 72.41 H new ATOM 0 HG3 GLU A 64 21.772 -11.332 -0.260 1.00 72.41 H new ATOM 997 N TRP A 65 21.794 -13.555 -1.755 1.00 44.43 N ATOM 998 CA TRP A 65 21.244 -14.735 -1.099 1.00 63.30 C ATOM 999 C TRP A 65 21.681 -16.009 -1.815 1.00 0.15 C ATOM 1000 O TRP A 65 21.895 -17.045 -1.184 1.00 2.13 O ATOM 1001 CB TRP A 65 19.717 -14.656 -1.058 1.00 64.51 C ATOM 1002 CG TRP A 65 19.087 -15.758 -0.261 1.00 72.23 C ATOM 1003 CD1 TRP A 65 19.028 -17.081 -0.595 1.00 62.12 C ATOM 1004 CD2 TRP A 65 18.424 -15.631 1.002 1.00 61.45 C ATOM 1005 NE1 TRP A 65 18.369 -17.784 0.384 1.00 31.40 N ATOM 1006 CE2 TRP A 65 17.989 -16.918 1.375 1.00 61.12 C ATOM 1007 CE3 TRP A 65 18.158 -14.557 1.854 1.00 13.22 C ATOM 1008 CZ2 TRP A 65 17.302 -17.156 2.562 1.00 2.03 C ATOM 1009 CZ3 TRP A 65 17.476 -14.794 3.032 1.00 33.42 C ATOM 1010 CH2 TRP A 65 17.055 -16.085 3.378 1.00 31.50 C ATOM 0 H TRP A 65 21.154 -13.095 -2.402 1.00 44.43 H new ATOM 0 HA TRP A 65 21.626 -14.765 -0.079 1.00 63.30 H new ATOM 0 HB2 TRP A 65 19.421 -13.696 -0.635 1.00 64.51 H new ATOM 0 HB3 TRP A 65 19.331 -14.688 -2.077 1.00 64.51 H new ATOM 0 HD1 TRP A 65 19.439 -17.511 -1.496 1.00 62.12 H new ATOM 0 HE1 TRP A 65 18.191 -18.788 0.375 1.00 31.40 H new ATOM 0 HE3 TRP A 65 18.480 -13.559 1.597 1.00 13.22 H new ATOM 0 HZ2 TRP A 65 16.976 -18.150 2.830 1.00 2.03 H new ATOM 0 HZ3 TRP A 65 17.264 -13.970 3.697 1.00 33.42 H new ATOM 0 HH2 TRP A 65 16.525 -16.238 4.307 1.00 31.50 H new ATOM 1021 N LEU A 66 21.812 -15.926 -3.134 1.00 14.11 N ATOM 1022 CA LEU A 66 22.224 -17.073 -3.936 1.00 14.14 C ATOM 1023 C LEU A 66 23.730 -17.292 -3.839 1.00 30.02 C ATOM 1024 O LEU A 66 24.210 -18.420 -3.942 1.00 20.30 O ATOM 1025 CB LEU A 66 21.819 -16.870 -5.397 1.00 20.41 C ATOM 1026 CG LEU A 66 20.480 -17.481 -5.813 1.00 44.25 C ATOM 1027 CD1 LEU A 66 19.350 -16.917 -4.967 1.00 10.13 C ATOM 1028 CD2 LEU A 66 20.218 -17.232 -7.291 1.00 55.35 C ATOM 0 H LEU A 66 21.639 -15.076 -3.671 1.00 14.11 H new ATOM 0 HA LEU A 66 21.721 -17.958 -3.546 1.00 14.14 H new ATOM 0 HB2 LEU A 66 21.785 -15.799 -5.599 1.00 20.41 H new ATOM 0 HB3 LEU A 66 22.600 -17.289 -6.031 1.00 20.41 H new ATOM 0 HG LEU A 66 20.526 -18.558 -5.648 1.00 44.25 H new ATOM 0 HD11 LEU A 66 18.405 -17.363 -5.277 1.00 10.13 H new ATOM 0 HD12 LEU A 66 19.532 -17.146 -3.917 1.00 10.13 H new ATOM 0 HD13 LEU A 66 19.301 -15.836 -5.099 1.00 10.13 H new ATOM 0 HD21 LEU A 66 19.261 -17.673 -7.570 1.00 55.35 H new ATOM 0 HD22 LEU A 66 20.192 -16.159 -7.480 1.00 55.35 H new ATOM 0 HD23 LEU A 66 21.013 -17.685 -7.883 1.00 55.35 H new ATOM 1040 N GLU A 67 24.469 -16.206 -3.638 1.00 2.40 N ATOM 1041 CA GLU A 67 25.921 -16.280 -3.526 1.00 22.43 C ATOM 1042 C GLU A 67 26.335 -16.769 -2.141 1.00 23.13 C ATOM 1043 O GLU A 67 27.472 -17.196 -1.934 1.00 12.02 O ATOM 1044 CB GLU A 67 26.548 -14.913 -3.804 1.00 54.54 C ATOM 1045 CG GLU A 67 26.475 -13.958 -2.624 1.00 63.13 C ATOM 1046 CD GLU A 67 27.790 -13.856 -1.875 1.00 34.41 C ATOM 1047 OE1 GLU A 67 28.850 -14.028 -2.512 1.00 71.40 O ATOM 1048 OE2 GLU A 67 27.758 -13.605 -0.652 1.00 62.22 O ATOM 0 H GLU A 67 24.086 -15.265 -3.549 1.00 2.40 H new ATOM 0 HA GLU A 67 26.280 -16.993 -4.268 1.00 22.43 H new ATOM 0 HB2 GLU A 67 27.592 -15.052 -4.084 1.00 54.54 H new ATOM 0 HB3 GLU A 67 26.046 -14.460 -4.659 1.00 54.54 H new ATOM 0 HG2 GLU A 67 26.185 -12.969 -2.979 1.00 63.13 H new ATOM 0 HG3 GLU A 67 25.696 -14.292 -1.939 1.00 63.13 H new ATOM 1055 N THR A 68 25.405 -16.703 -1.193 1.00 52.14 N ATOM 1056 CA THR A 68 25.672 -17.136 0.172 1.00 21.22 C ATOM 1057 C THR A 68 25.059 -18.505 0.445 1.00 62.14 C ATOM 1058 O THR A 68 25.772 -19.471 0.719 1.00 74.01 O ATOM 1059 CB THR A 68 25.124 -16.127 1.199 1.00 31.41 C ATOM 1060 OG1 THR A 68 23.782 -15.763 0.859 1.00 15.32 O ATOM 1061 CG2 THR A 68 25.995 -14.882 1.252 1.00 3.41 C ATOM 0 H THR A 68 24.459 -16.353 -1.347 1.00 52.14 H new ATOM 0 HA THR A 68 26.755 -17.198 0.277 1.00 21.22 H new ATOM 0 HB THR A 68 25.134 -16.599 2.181 1.00 31.41 H new ATOM 0 HG1 THR A 68 23.767 -14.840 0.529 1.00 15.32 H new ATOM 0 HG21 THR A 68 25.588 -14.184 1.984 1.00 3.41 H new ATOM 0 HG22 THR A 68 27.009 -15.159 1.540 1.00 3.41 H new ATOM 0 HG23 THR A 68 26.013 -14.408 0.270 1.00 3.41 H new ATOM 1069 N ARG A 69 23.735 -18.581 0.366 1.00 33.55 N ATOM 1070 CA ARG A 69 23.026 -19.833 0.605 1.00 22.13 C ATOM 1071 C ARG A 69 23.174 -20.777 -0.585 1.00 13.14 C ATOM 1072 O ARG A 69 23.641 -20.380 -1.651 1.00 1.41 O ATOM 1073 CB ARG A 69 21.545 -19.562 0.874 1.00 11.04 C ATOM 1074 CG ARG A 69 21.232 -19.286 2.336 1.00 51.21 C ATOM 1075 CD ARG A 69 20.814 -20.553 3.065 1.00 25.13 C ATOM 1076 NE ARG A 69 20.668 -20.335 4.502 1.00 54.32 N ATOM 1077 CZ ARG A 69 20.278 -21.277 5.352 1.00 33.55 C ATOM 1078 NH1 ARG A 69 19.997 -22.497 4.913 1.00 3.41 N ATOM 1079 NH2 ARG A 69 20.168 -21.002 6.646 1.00 51.32 N ATOM 0 H ARG A 69 23.131 -17.791 0.138 1.00 33.55 H new ATOM 0 HA ARG A 69 23.466 -20.309 1.481 1.00 22.13 H new ATOM 0 HB2 ARG A 69 21.226 -18.709 0.276 1.00 11.04 H new ATOM 0 HB3 ARG A 69 20.961 -20.420 0.542 1.00 11.04 H new ATOM 0 HG2 ARG A 69 22.108 -18.858 2.822 1.00 51.21 H new ATOM 0 HG3 ARG A 69 20.435 -18.545 2.405 1.00 51.21 H new ATOM 0 HD2 ARG A 69 19.870 -20.912 2.655 1.00 25.13 H new ATOM 0 HD3 ARG A 69 21.555 -21.333 2.890 1.00 25.13 H new ATOM 0 HE ARG A 69 20.877 -19.408 4.873 1.00 54.32 H new ATOM 0 HH11 ARG A 69 20.080 -22.713 3.920 1.00 3.41 H new ATOM 0 HH12 ARG A 69 19.698 -23.219 5.569 1.00 3.41 H new ATOM 0 HH21 ARG A 69 20.383 -20.066 6.988 1.00 51.32 H new ATOM 0 HH22 ARG A 69 19.868 -21.727 7.298 1.00 51.32 H new ATOM 1093 N GLY A 70 22.772 -22.030 -0.393 1.00 53.22 N ATOM 1094 CA GLY A 70 22.868 -23.011 -1.458 1.00 51.34 C ATOM 1095 C GLY A 70 23.020 -24.424 -0.933 1.00 20.31 C ATOM 1096 O GLY A 70 23.512 -24.632 0.176 1.00 44.10 O ATOM 0 H GLY A 70 22.382 -22.383 0.481 1.00 53.22 H new ATOM 0 HA2 GLY A 70 21.977 -22.953 -2.083 1.00 51.34 H new ATOM 0 HA3 GLY A 70 23.719 -22.770 -2.094 1.00 51.34 H new ATOM 1100 N SER A 71 22.595 -25.399 -1.730 1.00 71.31 N ATOM 1101 CA SER A 71 22.681 -26.801 -1.337 1.00 3.24 C ATOM 1102 C SER A 71 24.109 -27.167 -0.941 1.00 74.02 C ATOM 1103 O SER A 71 25.072 -26.484 -1.291 1.00 35.13 O ATOM 1104 CB SER A 71 22.209 -27.703 -2.478 1.00 51.02 C ATOM 1105 OG SER A 71 22.406 -27.080 -3.736 1.00 14.24 O ATOM 0 H SER A 71 22.187 -25.244 -2.652 1.00 71.31 H new ATOM 0 HA SER A 71 22.033 -26.951 -0.474 1.00 3.24 H new ATOM 0 HB2 SER A 71 22.752 -28.648 -2.447 1.00 51.02 H new ATOM 0 HB3 SER A 71 21.153 -27.938 -2.347 1.00 51.02 H new ATOM 0 HG SER A 71 22.098 -27.678 -4.449 1.00 14.24 H new ATOM 1111 N PRO A 72 24.250 -28.272 -0.194 1.00 14.22 N ATOM 1112 CA PRO A 72 25.555 -28.755 0.266 1.00 71.42 C ATOM 1113 C PRO A 72 26.406 -29.301 -0.876 1.00 11.31 C ATOM 1114 O PRO A 72 27.611 -29.501 -0.725 1.00 63.01 O ATOM 1115 CB PRO A 72 25.194 -29.875 1.245 1.00 14.24 C ATOM 1116 CG PRO A 72 23.851 -30.346 0.804 1.00 11.31 C ATOM 1117 CD PRO A 72 23.146 -29.134 0.260 1.00 74.32 C ATOM 0 HA PRO A 72 26.151 -27.958 0.710 1.00 71.42 H new ATOM 0 HB2 PRO A 72 25.927 -30.681 1.212 1.00 14.24 H new ATOM 0 HB3 PRO A 72 25.168 -29.510 2.272 1.00 14.24 H new ATOM 0 HG2 PRO A 72 23.940 -31.121 0.042 1.00 11.31 H new ATOM 0 HG3 PRO A 72 23.297 -30.779 1.636 1.00 11.31 H new ATOM 0 HD2 PRO A 72 22.476 -29.393 -0.559 1.00 74.32 H new ATOM 0 HD3 PRO A 72 22.542 -28.644 1.024 1.00 74.32 H new ATOM 1125 N LYS A 73 25.772 -29.539 -2.019 1.00 35.11 N ATOM 1126 CA LYS A 73 26.470 -30.060 -3.188 1.00 40.20 C ATOM 1127 C LYS A 73 26.556 -29.004 -4.285 1.00 44.33 C ATOM 1128 O LYS A 73 26.599 -29.330 -5.472 1.00 14.45 O ATOM 1129 CB LYS A 73 25.758 -31.306 -3.720 1.00 5.03 C ATOM 1130 CG LYS A 73 25.676 -32.437 -2.709 1.00 52.12 C ATOM 1131 CD LYS A 73 26.922 -33.305 -2.741 1.00 23.22 C ATOM 1132 CE LYS A 73 26.880 -34.299 -3.891 1.00 61.33 C ATOM 1133 NZ LYS A 73 28.208 -34.930 -4.129 1.00 2.52 N ATOM 0 H LYS A 73 24.775 -29.379 -2.161 1.00 35.11 H new ATOM 0 HA LYS A 73 27.482 -30.329 -2.886 1.00 40.20 H new ATOM 0 HB2 LYS A 73 24.749 -31.033 -4.030 1.00 5.03 H new ATOM 0 HB3 LYS A 73 26.280 -31.661 -4.609 1.00 5.03 H new ATOM 0 HG2 LYS A 73 25.545 -32.023 -1.709 1.00 52.12 H new ATOM 0 HG3 LYS A 73 24.799 -33.050 -2.918 1.00 52.12 H new ATOM 0 HD2 LYS A 73 27.805 -32.673 -2.837 1.00 23.22 H new ATOM 0 HD3 LYS A 73 27.016 -33.843 -1.797 1.00 23.22 H new ATOM 0 HE2 LYS A 73 26.144 -35.073 -3.675 1.00 61.33 H new ATOM 0 HE3 LYS A 73 26.552 -33.791 -4.798 1.00 61.33 H new ATOM 0 HZ1 LYS A 73 28.137 -35.601 -4.921 1.00 2.52 H new ATOM 0 HZ2 LYS A 73 28.906 -34.194 -4.360 1.00 2.52 H new ATOM 0 HZ3 LYS A 73 28.510 -35.436 -3.272 1.00 2.52 H new ATOM 1147 N SER A 74 26.584 -27.738 -3.881 1.00 53.31 N ATOM 1148 CA SER A 74 26.663 -26.634 -4.831 1.00 12.25 C ATOM 1149 C SER A 74 27.710 -25.615 -4.392 1.00 42.54 C ATOM 1150 O SER A 74 27.400 -24.442 -4.177 1.00 65.22 O ATOM 1151 CB SER A 74 25.299 -25.954 -4.969 1.00 45.41 C ATOM 1152 OG SER A 74 25.370 -24.845 -5.848 1.00 52.44 O ATOM 0 H SER A 74 26.553 -27.451 -2.903 1.00 53.31 H new ATOM 0 HA SER A 74 26.958 -27.039 -5.799 1.00 12.25 H new ATOM 0 HB2 SER A 74 24.567 -26.671 -5.341 1.00 45.41 H new ATOM 0 HB3 SER A 74 24.952 -25.624 -3.990 1.00 45.41 H new ATOM 0 HG SER A 74 25.940 -24.151 -5.454 1.00 52.44 H new ATOM 1158 N HIS A 75 28.952 -26.070 -4.262 1.00 61.22 N ATOM 1159 CA HIS A 75 30.047 -25.199 -3.850 1.00 51.12 C ATOM 1160 C HIS A 75 30.128 -23.967 -4.747 1.00 14.04 C ATOM 1161 O HIS A 75 30.328 -24.080 -5.956 1.00 73.13 O ATOM 1162 CB HIS A 75 31.373 -25.959 -3.887 1.00 41.23 C ATOM 1163 CG HIS A 75 32.558 -25.113 -3.537 1.00 2.35 C ATOM 1164 ND1 HIS A 75 32.822 -24.683 -2.253 1.00 45.44 N ATOM 1165 CD2 HIS A 75 33.553 -24.619 -4.310 1.00 2.42 C ATOM 1166 CE1 HIS A 75 33.928 -23.959 -2.253 1.00 13.02 C ATOM 1167 NE2 HIS A 75 34.391 -23.905 -3.488 1.00 61.15 N ATOM 0 H HIS A 75 29.225 -27.037 -4.436 1.00 61.22 H new ATOM 0 HA HIS A 75 29.853 -24.871 -2.829 1.00 51.12 H new ATOM 0 HB2 HIS A 75 31.320 -26.800 -3.195 1.00 41.23 H new ATOM 0 HB3 HIS A 75 31.516 -26.375 -4.884 1.00 41.23 H new ATOM 0 HD2 HIS A 75 33.667 -24.760 -5.375 1.00 2.42 H new ATOM 0 HE1 HIS A 75 34.377 -23.491 -1.389 1.00 13.02 H new ATOM 0 HE2 HIS A 75 35.234 -23.413 -3.784 1.00 61.15 H new ATOM 1175 N ILE A 76 29.970 -22.793 -4.146 1.00 12.55 N ATOM 1176 CA ILE A 76 30.025 -21.540 -4.890 1.00 23.52 C ATOM 1177 C ILE A 76 31.425 -20.937 -4.847 1.00 20.00 C ATOM 1178 O ILE A 76 31.700 -20.036 -4.054 1.00 73.02 O ATOM 1179 CB ILE A 76 29.019 -20.513 -4.339 1.00 75.23 C ATOM 1180 CG1 ILE A 76 27.612 -21.115 -4.300 1.00 24.33 C ATOM 1181 CG2 ILE A 76 29.036 -19.249 -5.185 1.00 53.13 C ATOM 1182 CD1 ILE A 76 26.594 -20.227 -3.620 1.00 73.15 C ATOM 0 H ILE A 76 29.803 -22.683 -3.146 1.00 12.55 H new ATOM 0 HA ILE A 76 29.764 -21.774 -5.922 1.00 23.52 H new ATOM 0 HB ILE A 76 29.310 -20.251 -3.322 1.00 75.23 H new ATOM 0 HG12 ILE A 76 27.283 -21.316 -5.320 1.00 24.33 H new ATOM 0 HG13 ILE A 76 27.650 -22.073 -3.782 1.00 24.33 H new ATOM 0 HG21 ILE A 76 28.320 -18.532 -4.783 1.00 53.13 H new ATOM 0 HG22 ILE A 76 30.035 -18.813 -5.167 1.00 53.13 H new ATOM 0 HG23 ILE A 76 28.766 -19.495 -6.212 1.00 53.13 H new ATOM 0 HD11 ILE A 76 25.620 -20.717 -3.629 1.00 73.15 H new ATOM 0 HD12 ILE A 76 26.900 -20.046 -2.589 1.00 73.15 H new ATOM 0 HD13 ILE A 76 26.527 -19.277 -4.151 1.00 73.15 H new ATOM 1194 N ASP A 77 32.306 -21.438 -5.706 1.00 32.43 N ATOM 1195 CA ASP A 77 33.677 -20.947 -5.769 1.00 4.04 C ATOM 1196 C ASP A 77 33.714 -19.496 -6.237 1.00 13.54 C ATOM 1197 O ASP A 77 34.429 -18.667 -5.672 1.00 73.31 O ATOM 1198 CB ASP A 77 34.512 -21.820 -6.708 1.00 11.45 C ATOM 1199 CG ASP A 77 35.993 -21.756 -6.392 1.00 65.55 C ATOM 1200 OD1 ASP A 77 36.377 -20.971 -5.501 1.00 42.44 O ATOM 1201 OD2 ASP A 77 36.770 -22.492 -7.038 1.00 35.43 O ATOM 0 H ASP A 77 32.095 -22.184 -6.368 1.00 32.43 H new ATOM 0 HA ASP A 77 34.101 -20.997 -4.766 1.00 4.04 H new ATOM 0 HB2 ASP A 77 34.172 -22.853 -6.637 1.00 11.45 H new ATOM 0 HB3 ASP A 77 34.349 -21.501 -7.737 1.00 11.45 H new ATOM 1206 N LYS A 78 32.939 -19.194 -7.273 1.00 13.11 N ATOM 1207 CA LYS A 78 32.881 -17.843 -7.818 1.00 51.20 C ATOM 1208 C LYS A 78 31.465 -17.498 -8.268 1.00 50.14 C ATOM 1209 O LYS A 78 30.933 -18.106 -9.197 1.00 24.34 O ATOM 1210 CB LYS A 78 33.850 -17.703 -8.994 1.00 72.54 C ATOM 1211 CG LYS A 78 35.312 -17.784 -8.591 1.00 31.50 C ATOM 1212 CD LYS A 78 35.756 -16.534 -7.850 1.00 61.41 C ATOM 1213 CE LYS A 78 37.051 -16.769 -7.088 1.00 1.23 C ATOM 1214 NZ LYS A 78 38.130 -17.289 -7.973 1.00 53.22 N ATOM 0 H LYS A 78 32.342 -19.868 -7.753 1.00 13.11 H new ATOM 0 HA LYS A 78 33.172 -17.148 -7.031 1.00 51.20 H new ATOM 0 HB2 LYS A 78 33.639 -18.486 -9.723 1.00 72.54 H new ATOM 0 HB3 LYS A 78 33.671 -16.749 -9.490 1.00 72.54 H new ATOM 0 HG2 LYS A 78 35.468 -18.658 -7.958 1.00 31.50 H new ATOM 0 HG3 LYS A 78 35.928 -17.920 -9.480 1.00 31.50 H new ATOM 0 HD2 LYS A 78 35.893 -15.718 -8.560 1.00 61.41 H new ATOM 0 HD3 LYS A 78 34.975 -16.224 -7.156 1.00 61.41 H new ATOM 0 HE2 LYS A 78 37.376 -15.836 -6.629 1.00 1.23 H new ATOM 0 HE3 LYS A 78 36.873 -17.477 -6.279 1.00 1.23 H new ATOM 0 HZ1 LYS A 78 39.038 -17.260 -7.467 1.00 53.22 H new ATOM 0 HZ2 LYS A 78 37.915 -18.270 -8.243 1.00 53.22 H new ATOM 0 HZ3 LYS A 78 38.191 -16.700 -8.828 1.00 53.22 H new ATOM 1228 N ALA A 79 30.860 -16.517 -7.606 1.00 24.33 N ATOM 1229 CA ALA A 79 29.508 -16.090 -7.941 1.00 11.54 C ATOM 1230 C ALA A 79 29.485 -14.626 -8.367 1.00 51.35 C ATOM 1231 O ALA A 79 29.507 -13.725 -7.530 1.00 0.10 O ATOM 1232 CB ALA A 79 28.576 -16.311 -6.758 1.00 62.13 C ATOM 0 H ALA A 79 31.286 -16.003 -6.834 1.00 24.33 H new ATOM 0 HA ALA A 79 29.161 -16.692 -8.781 1.00 11.54 H new ATOM 0 HB1 ALA A 79 27.569 -15.988 -7.023 1.00 62.13 H new ATOM 0 HB2 ALA A 79 28.561 -17.370 -6.500 1.00 62.13 H new ATOM 0 HB3 ALA A 79 28.930 -15.734 -5.903 1.00 62.13 H new ATOM 1238 N ASN A 80 29.441 -14.396 -9.676 1.00 22.31 N ATOM 1239 CA ASN A 80 29.417 -13.041 -10.214 1.00 14.12 C ATOM 1240 C ASN A 80 28.103 -12.767 -10.940 1.00 31.53 C ATOM 1241 O ASN A 80 27.318 -13.682 -11.191 1.00 71.11 O ATOM 1242 CB ASN A 80 30.593 -12.827 -11.168 1.00 25.21 C ATOM 1243 CG ASN A 80 31.934 -12.981 -10.476 1.00 1.11 C ATOM 1244 OD1 ASN A 80 32.032 -12.863 -9.254 1.00 73.33 O ATOM 1245 ND2 ASN A 80 32.976 -13.245 -11.256 1.00 53.11 N ATOM 0 H ASN A 80 29.421 -15.131 -10.383 1.00 22.31 H new ATOM 0 HA ASN A 80 29.503 -12.345 -9.380 1.00 14.12 H new ATOM 0 HB2 ASN A 80 30.526 -13.541 -11.989 1.00 25.21 H new ATOM 0 HB3 ASN A 80 30.525 -11.831 -11.606 1.00 25.21 H new ATOM 0 HD21 ASN A 80 33.903 -13.358 -10.847 1.00 53.11 H new ATOM 0 HD22 ASN A 80 32.849 -13.334 -12.264 1.00 53.11 H new ATOM 1252 N PHE A 81 27.870 -11.503 -11.274 1.00 44.45 N ATOM 1253 CA PHE A 81 26.652 -11.108 -11.971 1.00 53.23 C ATOM 1254 C PHE A 81 26.977 -10.270 -13.204 1.00 4.50 C ATOM 1255 O PHE A 81 28.093 -9.773 -13.353 1.00 10.23 O ATOM 1256 CB PHE A 81 25.735 -10.321 -11.033 1.00 54.40 C ATOM 1257 CG PHE A 81 26.443 -9.236 -10.273 1.00 40.33 C ATOM 1258 CD1 PHE A 81 26.881 -8.091 -10.920 1.00 72.33 C ATOM 1259 CD2 PHE A 81 26.671 -9.360 -8.912 1.00 54.03 C ATOM 1260 CE1 PHE A 81 27.534 -7.092 -10.224 1.00 14.04 C ATOM 1261 CE2 PHE A 81 27.322 -8.364 -8.210 1.00 45.32 C ATOM 1262 CZ PHE A 81 27.754 -7.228 -8.867 1.00 14.32 C ATOM 0 H PHE A 81 28.509 -10.734 -11.073 1.00 44.45 H new ATOM 0 HA PHE A 81 26.139 -12.014 -12.295 1.00 53.23 H new ATOM 0 HB2 PHE A 81 24.927 -9.878 -11.615 1.00 54.40 H new ATOM 0 HB3 PHE A 81 25.276 -11.010 -10.324 1.00 54.40 H new ATOM 0 HD1 PHE A 81 26.710 -7.979 -11.980 1.00 72.33 H new ATOM 0 HD2 PHE A 81 26.336 -10.246 -8.394 1.00 54.03 H new ATOM 0 HE1 PHE A 81 27.872 -6.206 -10.740 1.00 14.04 H new ATOM 0 HE2 PHE A 81 27.493 -8.473 -7.149 1.00 45.32 H new ATOM 0 HZ PHE A 81 28.263 -6.448 -8.321 1.00 14.32 H new ATOM 1272 N ASN A 82 25.994 -10.118 -14.086 1.00 4.45 N ATOM 1273 CA ASN A 82 26.176 -9.341 -15.306 1.00 52.34 C ATOM 1274 C ASN A 82 25.875 -7.865 -15.062 1.00 25.12 C ATOM 1275 O ASN A 82 25.547 -7.465 -13.946 1.00 14.10 O ATOM 1276 CB ASN A 82 25.272 -9.879 -16.417 1.00 61.34 C ATOM 1277 CG ASN A 82 25.885 -11.065 -17.137 1.00 40.14 C ATOM 1278 OD1 ASN A 82 26.415 -12.012 -16.372 1.00 23.31 O flip ATOM 1279 ND2 ASN A 82 25.881 -11.128 -18.367 1.00 45.13 N flip ATOM 0 H ASN A 82 25.064 -10.523 -13.978 1.00 4.45 H new ATOM 0 HA ASN A 82 27.217 -9.435 -15.615 1.00 52.34 H new ATOM 0 HB2 ASN A 82 24.312 -10.172 -15.991 1.00 61.34 H new ATOM 0 HB3 ASN A 82 25.072 -9.084 -17.136 1.00 61.34 H new ATOM 0 HD21 ASN A 82 25.462 -10.376 -18.915 1.00 45.13 H new ATOM 0 HD22 ASN A 82 26.296 -11.932 -18.838 1.00 45.13 H new ATOM 1286 N ASN A 83 25.991 -7.061 -16.114 1.00 32.12 N ATOM 1287 CA ASN A 83 25.732 -5.629 -16.014 1.00 34.43 C ATOM 1288 C ASN A 83 24.261 -5.363 -15.706 1.00 41.15 C ATOM 1289 O ASN A 83 23.442 -5.229 -16.615 1.00 30.31 O ATOM 1290 CB ASN A 83 26.128 -4.926 -17.313 1.00 63.03 C ATOM 1291 CG ASN A 83 27.566 -5.205 -17.706 1.00 62.21 C ATOM 1292 OD1 ASN A 83 28.319 -5.821 -16.952 1.00 1.05 O ATOM 1293 ND2 ASN A 83 27.954 -4.752 -18.893 1.00 12.24 N ATOM 0 H ASN A 83 26.263 -7.377 -17.045 1.00 32.12 H new ATOM 0 HA ASN A 83 26.334 -5.232 -15.196 1.00 34.43 H new ATOM 0 HB2 ASN A 83 25.465 -5.251 -18.115 1.00 63.03 H new ATOM 0 HB3 ASN A 83 25.987 -3.851 -17.199 1.00 63.03 H new ATOM 0 HD21 ASN A 83 28.910 -4.910 -19.212 1.00 12.24 H new ATOM 0 HD22 ASN A 83 27.296 -4.246 -19.486 1.00 12.24 H new ATOM 1300 N GLU A 84 23.935 -5.287 -14.420 1.00 3.51 N ATOM 1301 CA GLU A 84 22.564 -5.036 -13.994 1.00 35.24 C ATOM 1302 C GLU A 84 21.996 -3.800 -14.685 1.00 72.02 C ATOM 1303 O GLU A 84 22.623 -2.740 -14.702 1.00 33.55 O ATOM 1304 CB GLU A 84 22.502 -4.858 -12.475 1.00 43.21 C ATOM 1305 CG GLU A 84 21.151 -5.207 -11.875 1.00 54.53 C ATOM 1306 CD GLU A 84 21.260 -5.739 -10.460 1.00 24.51 C ATOM 1307 OE1 GLU A 84 21.258 -4.922 -9.516 1.00 31.43 O ATOM 1308 OE2 GLU A 84 21.349 -6.975 -10.297 1.00 14.41 O ATOM 0 H GLU A 84 24.601 -5.396 -13.655 1.00 3.51 H new ATOM 0 HA GLU A 84 21.960 -5.898 -14.277 1.00 35.24 H new ATOM 0 HB2 GLU A 84 23.267 -5.482 -12.013 1.00 43.21 H new ATOM 0 HB3 GLU A 84 22.743 -3.824 -12.229 1.00 43.21 H new ATOM 0 HG2 GLU A 84 20.517 -4.321 -11.878 1.00 54.53 H new ATOM 0 HG3 GLU A 84 20.661 -5.952 -12.502 1.00 54.53 H new ATOM 1315 N LYS A 85 20.805 -3.944 -15.256 1.00 52.43 N ATOM 1316 CA LYS A 85 20.150 -2.840 -15.949 1.00 62.45 C ATOM 1317 C LYS A 85 18.679 -2.749 -15.559 1.00 35.12 C ATOM 1318 O LYS A 85 18.069 -3.742 -15.160 1.00 40.42 O ATOM 1319 CB LYS A 85 20.277 -3.016 -17.464 1.00 53.14 C ATOM 1320 CG LYS A 85 19.738 -4.343 -17.970 1.00 64.20 C ATOM 1321 CD LYS A 85 20.003 -4.523 -19.456 1.00 14.44 C ATOM 1322 CE LYS A 85 19.384 -5.809 -19.980 1.00 55.04 C ATOM 1323 NZ LYS A 85 20.147 -7.011 -19.543 1.00 51.43 N ATOM 0 H LYS A 85 20.273 -4.814 -15.253 1.00 52.43 H new ATOM 0 HA LYS A 85 20.644 -1.914 -15.654 1.00 62.45 H new ATOM 0 HB2 LYS A 85 19.746 -2.204 -17.961 1.00 53.14 H new ATOM 0 HB3 LYS A 85 21.327 -2.929 -17.745 1.00 53.14 H new ATOM 0 HG2 LYS A 85 20.200 -5.160 -17.416 1.00 64.20 H new ATOM 0 HG3 LYS A 85 18.666 -4.397 -17.782 1.00 64.20 H new ATOM 0 HD2 LYS A 85 19.598 -3.673 -20.005 1.00 14.44 H new ATOM 0 HD3 LYS A 85 21.078 -4.535 -19.636 1.00 14.44 H new ATOM 0 HE2 LYS A 85 18.355 -5.885 -19.630 1.00 55.04 H new ATOM 0 HE3 LYS A 85 19.349 -5.777 -21.069 1.00 55.04 H new ATOM 0 HZ1 LYS A 85 19.693 -7.867 -19.921 1.00 51.43 H new ATOM 0 HZ2 LYS A 85 21.123 -6.951 -19.898 1.00 51.43 H new ATOM 0 HZ3 LYS A 85 20.159 -7.056 -18.504 1.00 51.43 H new ATOM 1337 N VAL A 86 18.113 -1.552 -15.677 1.00 75.13 N ATOM 1338 CA VAL A 86 16.711 -1.332 -15.339 1.00 65.10 C ATOM 1339 C VAL A 86 15.832 -1.375 -16.584 1.00 4.41 C ATOM 1340 O VAL A 86 16.287 -1.072 -17.688 1.00 21.44 O ATOM 1341 CB VAL A 86 16.511 0.020 -14.628 1.00 62.44 C ATOM 1342 CG1 VAL A 86 17.330 0.076 -13.347 1.00 55.15 C ATOM 1343 CG2 VAL A 86 16.878 1.168 -15.556 1.00 51.21 C ATOM 0 H VAL A 86 18.603 -0.720 -16.004 1.00 75.13 H new ATOM 0 HA VAL A 86 16.418 -2.136 -14.664 1.00 65.10 H new ATOM 0 HB VAL A 86 15.459 0.120 -14.362 1.00 62.44 H new ATOM 0 HG11 VAL A 86 17.176 1.038 -12.859 1.00 55.15 H new ATOM 0 HG12 VAL A 86 17.015 -0.725 -12.678 1.00 55.15 H new ATOM 0 HG13 VAL A 86 18.387 -0.045 -13.585 1.00 55.15 H new ATOM 0 HG21 VAL A 86 16.731 2.116 -15.038 1.00 51.21 H new ATOM 0 HG22 VAL A 86 17.922 1.075 -15.854 1.00 51.21 H new ATOM 0 HG23 VAL A 86 16.244 1.137 -16.442 1.00 51.21 H new ATOM 1353 N ILE A 87 14.572 -1.751 -16.398 1.00 73.05 N ATOM 1354 CA ILE A 87 13.628 -1.831 -17.507 1.00 22.44 C ATOM 1355 C ILE A 87 12.247 -1.338 -17.089 1.00 51.14 C ATOM 1356 O ILE A 87 12.045 -0.914 -15.951 1.00 13.13 O ATOM 1357 CB ILE A 87 13.507 -3.271 -18.040 1.00 21.23 C ATOM 1358 CG1 ILE A 87 13.046 -4.213 -16.926 1.00 74.51 C ATOM 1359 CG2 ILE A 87 14.836 -3.736 -18.617 1.00 52.42 C ATOM 1360 CD1 ILE A 87 14.182 -4.778 -16.103 1.00 20.22 C ATOM 0 H ILE A 87 14.181 -2.005 -15.491 1.00 73.05 H new ATOM 0 HA ILE A 87 14.016 -1.190 -18.299 1.00 22.44 H new ATOM 0 HB ILE A 87 12.762 -3.287 -18.836 1.00 21.23 H new ATOM 0 HG12 ILE A 87 12.363 -3.677 -16.267 1.00 74.51 H new ATOM 0 HG13 ILE A 87 12.483 -5.036 -17.367 1.00 74.51 H new ATOM 0 HG21 ILE A 87 14.734 -4.755 -18.989 1.00 52.42 H new ATOM 0 HG22 ILE A 87 15.127 -3.078 -19.436 1.00 52.42 H new ATOM 0 HG23 ILE A 87 15.600 -3.708 -17.840 1.00 52.42 H new ATOM 0 HD11 ILE A 87 13.781 -5.437 -15.333 1.00 20.22 H new ATOM 0 HD12 ILE A 87 14.854 -5.343 -16.749 1.00 20.22 H new ATOM 0 HD13 ILE A 87 14.731 -3.962 -15.633 1.00 20.22 H new ATOM 1372 N LEU A 88 11.298 -1.397 -18.018 1.00 24.44 N ATOM 1373 CA LEU A 88 9.934 -0.958 -17.746 1.00 71.33 C ATOM 1374 C LEU A 88 9.248 -1.894 -16.756 1.00 54.30 C ATOM 1375 O LEU A 88 8.851 -1.480 -15.666 1.00 45.33 O ATOM 1376 CB LEU A 88 9.130 -0.894 -19.046 1.00 71.21 C ATOM 1377 CG LEU A 88 9.166 0.440 -19.793 1.00 20.25 C ATOM 1378 CD1 LEU A 88 8.502 1.531 -18.968 1.00 12.24 C ATOM 1379 CD2 LEU A 88 10.599 0.823 -20.132 1.00 22.44 C ATOM 0 H LEU A 88 11.448 -1.744 -18.965 1.00 24.44 H new ATOM 0 HA LEU A 88 9.980 0.037 -17.304 1.00 71.33 H new ATOM 0 HB2 LEU A 88 9.497 -1.672 -19.715 1.00 71.21 H new ATOM 0 HB3 LEU A 88 8.091 -1.133 -18.819 1.00 71.21 H new ATOM 0 HG LEU A 88 8.611 0.328 -20.724 1.00 20.25 H new ATOM 0 HD11 LEU A 88 8.537 2.473 -19.515 1.00 12.24 H new ATOM 0 HD12 LEU A 88 7.464 1.261 -18.776 1.00 12.24 H new ATOM 0 HD13 LEU A 88 9.029 1.642 -18.020 1.00 12.24 H new ATOM 0 HD21 LEU A 88 10.605 1.775 -20.663 1.00 22.44 H new ATOM 0 HD22 LEU A 88 11.178 0.917 -19.213 1.00 22.44 H new ATOM 0 HD23 LEU A 88 11.042 0.052 -20.763 1.00 22.44 H new ATOM 1391 N LYS A 89 9.112 -3.158 -17.141 1.00 72.12 N ATOM 1392 CA LYS A 89 8.477 -4.155 -16.287 1.00 12.41 C ATOM 1393 C LYS A 89 9.025 -5.548 -16.577 1.00 32.32 C ATOM 1394 O LYS A 89 9.916 -5.715 -17.411 1.00 32.11 O ATOM 1395 CB LYS A 89 6.960 -4.139 -16.490 1.00 41.14 C ATOM 1396 CG LYS A 89 6.542 -4.186 -17.950 1.00 33.53 C ATOM 1397 CD LYS A 89 5.051 -3.940 -18.111 1.00 31.43 C ATOM 1398 CE LYS A 89 4.707 -3.510 -19.528 1.00 50.33 C ATOM 1399 NZ LYS A 89 4.981 -4.589 -20.518 1.00 10.54 N ATOM 0 H LYS A 89 9.433 -3.517 -18.040 1.00 72.12 H new ATOM 0 HA LYS A 89 8.701 -3.905 -15.250 1.00 12.41 H new ATOM 0 HB2 LYS A 89 6.523 -4.990 -15.968 1.00 41.14 H new ATOM 0 HB3 LYS A 89 6.550 -3.239 -16.032 1.00 41.14 H new ATOM 0 HG2 LYS A 89 7.098 -3.437 -18.513 1.00 33.53 H new ATOM 0 HG3 LYS A 89 6.799 -5.158 -18.372 1.00 33.53 H new ATOM 0 HD2 LYS A 89 4.502 -4.848 -17.862 1.00 31.43 H new ATOM 0 HD3 LYS A 89 4.730 -3.171 -17.408 1.00 31.43 H new ATOM 0 HE2 LYS A 89 3.654 -3.231 -19.577 1.00 50.33 H new ATOM 0 HE3 LYS A 89 5.285 -2.623 -19.789 1.00 50.33 H new ATOM 0 HZ1 LYS A 89 4.733 -4.256 -21.472 1.00 10.54 H new ATOM 0 HZ2 LYS A 89 5.990 -4.838 -20.490 1.00 10.54 H new ATOM 0 HZ3 LYS A 89 4.411 -5.427 -20.285 1.00 10.54 H new ATOM 1413 N LEU A 90 8.486 -6.546 -15.885 1.00 24.31 N ATOM 1414 CA LEU A 90 8.921 -7.927 -16.069 1.00 55.24 C ATOM 1415 C LEU A 90 8.593 -8.417 -17.476 1.00 62.21 C ATOM 1416 O LEU A 90 7.941 -7.718 -18.252 1.00 30.21 O ATOM 1417 CB LEU A 90 8.255 -8.834 -15.033 1.00 23.10 C ATOM 1418 CG LEU A 90 8.404 -8.406 -13.572 1.00 74.25 C ATOM 1419 CD1 LEU A 90 7.772 -9.435 -12.648 1.00 34.10 C ATOM 1420 CD2 LEU A 90 9.871 -8.202 -13.223 1.00 35.21 C ATOM 0 H LEU A 90 7.748 -6.425 -15.192 1.00 24.31 H new ATOM 0 HA LEU A 90 10.002 -7.963 -15.934 1.00 55.24 H new ATOM 0 HB2 LEU A 90 7.192 -8.898 -15.265 1.00 23.10 H new ATOM 0 HB3 LEU A 90 8.666 -9.838 -15.140 1.00 23.10 H new ATOM 0 HG LEU A 90 7.884 -7.458 -13.436 1.00 74.25 H new ATOM 0 HD11 LEU A 90 7.888 -9.114 -11.613 1.00 34.10 H new ATOM 0 HD12 LEU A 90 6.712 -9.531 -12.882 1.00 34.10 H new ATOM 0 HD13 LEU A 90 8.263 -10.398 -12.786 1.00 34.10 H new ATOM 0 HD21 LEU A 90 9.958 -7.898 -12.180 1.00 35.21 H new ATOM 0 HD22 LEU A 90 10.414 -9.135 -13.376 1.00 35.21 H new ATOM 0 HD23 LEU A 90 10.293 -7.427 -13.863 1.00 35.21 H new ATOM 1432 N ASP A 91 9.048 -9.623 -17.797 1.00 63.14 N ATOM 1433 CA ASP A 91 8.801 -10.209 -19.110 1.00 22.13 C ATOM 1434 C ASP A 91 7.945 -11.466 -18.991 1.00 64.30 C ATOM 1435 O ASP A 91 7.219 -11.825 -19.918 1.00 40.13 O ATOM 1436 CB ASP A 91 10.125 -10.541 -19.801 1.00 35.31 C ATOM 1437 CG ASP A 91 9.929 -11.021 -21.226 1.00 30.13 C ATOM 1438 OD1 ASP A 91 9.334 -10.271 -22.028 1.00 64.14 O ATOM 1439 OD2 ASP A 91 10.371 -12.146 -21.538 1.00 62.14 O ATOM 0 H ASP A 91 9.590 -10.214 -17.166 1.00 63.14 H new ATOM 0 HA ASP A 91 8.260 -9.478 -19.711 1.00 22.13 H new ATOM 0 HB2 ASP A 91 10.762 -9.657 -19.803 1.00 35.31 H new ATOM 0 HB3 ASP A 91 10.647 -11.309 -19.230 1.00 35.31 H new ATOM 1444 N TYR A 92 8.037 -12.132 -17.845 1.00 61.13 N ATOM 1445 CA TYR A 92 7.274 -13.351 -17.607 1.00 21.44 C ATOM 1446 C TYR A 92 6.180 -13.115 -16.570 1.00 21.42 C ATOM 1447 O TYR A 92 6.019 -12.005 -16.062 1.00 61.55 O ATOM 1448 CB TYR A 92 8.201 -14.475 -17.140 1.00 1.14 C ATOM 1449 CG TYR A 92 8.948 -15.152 -18.267 1.00 35.03 C ATOM 1450 CD1 TYR A 92 9.894 -14.461 -19.014 1.00 15.55 C ATOM 1451 CD2 TYR A 92 8.706 -16.483 -18.586 1.00 3.43 C ATOM 1452 CE1 TYR A 92 10.578 -15.075 -20.045 1.00 14.32 C ATOM 1453 CE2 TYR A 92 9.387 -17.105 -19.614 1.00 74.21 C ATOM 1454 CZ TYR A 92 10.321 -16.397 -20.341 1.00 30.22 C ATOM 1455 OH TYR A 92 11.000 -17.013 -21.367 1.00 73.41 O ATOM 0 H TYR A 92 8.632 -11.848 -17.067 1.00 61.13 H new ATOM 0 HA TYR A 92 6.803 -13.644 -18.545 1.00 21.44 H new ATOM 0 HB2 TYR A 92 8.922 -14.069 -16.430 1.00 1.14 H new ATOM 0 HB3 TYR A 92 7.613 -15.221 -16.605 1.00 1.14 H new ATOM 0 HD1 TYR A 92 10.098 -13.426 -18.784 1.00 15.55 H new ATOM 0 HD2 TYR A 92 7.973 -17.040 -18.021 1.00 3.43 H new ATOM 0 HE1 TYR A 92 11.310 -14.523 -20.616 1.00 14.32 H new ATOM 0 HE2 TYR A 92 9.189 -18.141 -19.847 1.00 74.21 H new ATOM 0 HH TYR A 92 10.702 -17.944 -21.444 1.00 73.41 H new ATOM 1465 N SER A 93 5.431 -14.169 -16.260 1.00 12.55 N ATOM 1466 CA SER A 93 4.349 -14.077 -15.286 1.00 4.14 C ATOM 1467 C SER A 93 4.779 -14.655 -13.941 1.00 3.24 C ATOM 1468 O SER A 93 4.378 -14.164 -12.885 1.00 60.40 O ATOM 1469 CB SER A 93 3.110 -14.814 -15.797 1.00 41.33 C ATOM 1470 OG SER A 93 2.470 -14.080 -16.827 1.00 72.41 O ATOM 0 H SER A 93 5.553 -15.095 -16.669 1.00 12.55 H new ATOM 0 HA SER A 93 4.105 -13.023 -15.149 1.00 4.14 H new ATOM 0 HB2 SER A 93 3.396 -15.797 -16.170 1.00 41.33 H new ATOM 0 HB3 SER A 93 2.414 -14.975 -14.974 1.00 41.33 H new ATOM 0 HG SER A 93 1.682 -14.572 -17.138 1.00 72.41 H new ATOM 1476 N ASP A 94 5.598 -15.700 -13.988 1.00 11.15 N ATOM 1477 CA ASP A 94 6.084 -16.345 -12.774 1.00 21.44 C ATOM 1478 C ASP A 94 7.270 -17.255 -13.080 1.00 33.35 C ATOM 1479 O ASP A 94 7.615 -17.473 -14.241 1.00 73.51 O ATOM 1480 CB ASP A 94 4.963 -17.151 -12.115 1.00 24.21 C ATOM 1481 CG ASP A 94 5.169 -17.316 -10.622 1.00 65.40 C ATOM 1482 OD1 ASP A 94 4.906 -16.350 -9.876 1.00 33.12 O ATOM 1483 OD2 ASP A 94 5.594 -18.412 -10.200 1.00 33.22 O ATOM 0 H ASP A 94 5.939 -16.118 -14.853 1.00 11.15 H new ATOM 0 HA ASP A 94 6.414 -15.567 -12.086 1.00 21.44 H new ATOM 0 HB2 ASP A 94 4.009 -16.655 -12.295 1.00 24.21 H new ATOM 0 HB3 ASP A 94 4.904 -18.134 -12.582 1.00 24.21 H new ATOM 1488 N PHE A 95 7.890 -17.783 -12.030 1.00 24.14 N ATOM 1489 CA PHE A 95 9.039 -18.668 -12.186 1.00 11.13 C ATOM 1490 C PHE A 95 8.649 -19.938 -12.937 1.00 2.40 C ATOM 1491 O PHE A 95 7.510 -20.395 -12.853 1.00 31.11 O ATOM 1492 CB PHE A 95 9.621 -19.030 -10.818 1.00 14.45 C ATOM 1493 CG PHE A 95 8.604 -19.588 -9.863 1.00 4.33 C ATOM 1494 CD1 PHE A 95 8.108 -20.870 -10.030 1.00 72.24 C ATOM 1495 CD2 PHE A 95 8.145 -18.830 -8.798 1.00 4.54 C ATOM 1496 CE1 PHE A 95 7.173 -21.387 -9.153 1.00 72.13 C ATOM 1497 CE2 PHE A 95 7.211 -19.341 -7.917 1.00 60.21 C ATOM 1498 CZ PHE A 95 6.723 -20.621 -8.096 1.00 2.01 C ATOM 0 H PHE A 95 7.616 -17.614 -11.062 1.00 24.14 H new ATOM 0 HA PHE A 95 9.796 -18.141 -12.767 1.00 11.13 H new ATOM 0 HB2 PHE A 95 10.420 -19.759 -10.953 1.00 14.45 H new ATOM 0 HB3 PHE A 95 10.072 -18.141 -10.377 1.00 14.45 H new ATOM 0 HD1 PHE A 95 8.456 -21.473 -10.855 1.00 72.24 H new ATOM 0 HD2 PHE A 95 8.522 -17.828 -8.655 1.00 4.54 H new ATOM 0 HE1 PHE A 95 6.795 -22.389 -9.294 1.00 72.13 H new ATOM 0 HE2 PHE A 95 6.863 -18.740 -7.090 1.00 60.21 H new ATOM 0 HZ PHE A 95 5.991 -21.022 -7.410 1.00 2.01 H new ATOM 1508 N GLN A 96 9.604 -20.500 -13.671 1.00 33.20 N ATOM 1509 CA GLN A 96 9.360 -21.716 -14.438 1.00 61.02 C ATOM 1510 C GLN A 96 10.672 -22.408 -14.793 1.00 41.44 C ATOM 1511 O GLN A 96 11.598 -21.778 -15.305 1.00 3.51 O ATOM 1512 CB GLN A 96 8.579 -21.392 -15.713 1.00 22.01 C ATOM 1513 CG GLN A 96 7.071 -21.434 -15.530 1.00 33.44 C ATOM 1514 CD GLN A 96 6.335 -21.742 -16.819 1.00 34.03 C ATOM 1515 OE1 GLN A 96 6.937 -21.806 -17.891 1.00 33.11 O ATOM 1516 NE2 GLN A 96 5.024 -21.935 -16.721 1.00 43.41 N ATOM 0 H GLN A 96 10.552 -20.133 -13.751 1.00 33.20 H new ATOM 0 HA GLN A 96 8.769 -22.393 -13.821 1.00 61.02 H new ATOM 0 HB2 GLN A 96 8.867 -20.401 -16.063 1.00 22.01 H new ATOM 0 HB3 GLN A 96 8.862 -22.100 -16.492 1.00 22.01 H new ATOM 0 HG2 GLN A 96 6.820 -22.188 -14.784 1.00 33.44 H new ATOM 0 HG3 GLN A 96 6.729 -20.475 -15.141 1.00 33.44 H new ATOM 0 HE21 GLN A 96 4.566 -21.872 -15.812 1.00 43.41 H new ATOM 0 HE22 GLN A 96 4.476 -22.146 -17.555 1.00 43.41 H new ATOM 1525 N ILE A 97 10.744 -23.706 -14.519 1.00 2.32 N ATOM 1526 CA ILE A 97 11.943 -24.482 -14.810 1.00 72.24 C ATOM 1527 C ILE A 97 11.930 -24.995 -16.246 1.00 73.14 C ATOM 1528 O ILE A 97 10.870 -25.269 -16.810 1.00 31.34 O ATOM 1529 CB ILE A 97 12.086 -25.679 -13.851 1.00 54.41 C ATOM 1530 CG1 ILE A 97 11.906 -25.223 -12.402 1.00 14.52 C ATOM 1531 CG2 ILE A 97 13.439 -26.348 -14.037 1.00 60.13 C ATOM 1532 CD1 ILE A 97 11.965 -26.355 -11.400 1.00 45.52 C ATOM 0 H ILE A 97 9.986 -24.242 -14.096 1.00 2.32 H new ATOM 0 HA ILE A 97 12.793 -23.813 -14.672 1.00 72.24 H new ATOM 0 HB ILE A 97 11.308 -26.407 -14.083 1.00 54.41 H new ATOM 0 HG12 ILE A 97 12.680 -24.494 -12.160 1.00 14.52 H new ATOM 0 HG13 ILE A 97 10.947 -24.714 -12.306 1.00 14.52 H new ATOM 0 HG21 ILE A 97 13.525 -27.192 -13.352 1.00 60.13 H new ATOM 0 HG22 ILE A 97 13.531 -26.703 -15.064 1.00 60.13 H new ATOM 0 HG23 ILE A 97 14.232 -25.630 -13.829 1.00 60.13 H new ATOM 0 HD11 ILE A 97 11.830 -25.958 -10.394 1.00 45.52 H new ATOM 0 HD12 ILE A 97 11.174 -27.073 -11.616 1.00 45.52 H new ATOM 0 HD13 ILE A 97 12.934 -26.850 -11.467 1.00 45.52 H new ATOM 1544 N VAL A 98 13.115 -25.124 -16.834 1.00 22.33 N ATOM 1545 CA VAL A 98 13.241 -25.607 -18.204 1.00 21.44 C ATOM 1546 C VAL A 98 13.927 -26.968 -18.246 1.00 22.25 C ATOM 1547 O VAL A 98 15.036 -27.133 -17.735 1.00 74.34 O ATOM 1548 CB VAL A 98 14.034 -24.618 -19.077 1.00 45.42 C ATOM 1549 CG1 VAL A 98 14.179 -25.152 -20.494 1.00 31.42 C ATOM 1550 CG2 VAL A 98 13.363 -23.253 -19.080 1.00 15.24 C ATOM 0 H VAL A 98 14.002 -24.901 -16.383 1.00 22.33 H new ATOM 0 HA VAL A 98 12.230 -25.700 -18.601 1.00 21.44 H new ATOM 0 HB VAL A 98 15.032 -24.507 -18.653 1.00 45.42 H new ATOM 0 HG11 VAL A 98 14.742 -24.439 -21.096 1.00 31.42 H new ATOM 0 HG12 VAL A 98 14.708 -26.105 -20.471 1.00 31.42 H new ATOM 0 HG13 VAL A 98 13.191 -25.295 -20.932 1.00 31.42 H new ATOM 0 HG21 VAL A 98 13.937 -22.567 -19.702 1.00 15.24 H new ATOM 0 HG22 VAL A 98 12.353 -23.345 -19.479 1.00 15.24 H new ATOM 0 HG23 VAL A 98 13.317 -22.868 -18.061 1.00 15.24 H new ATOM 1560 N LYS A 99 13.261 -27.942 -18.857 1.00 44.35 N ATOM 1561 CA LYS A 99 13.807 -29.289 -18.969 1.00 35.42 C ATOM 1562 C LYS A 99 15.053 -29.301 -19.848 1.00 72.42 C ATOM 1563 O LYS A 99 16.140 -29.662 -19.396 1.00 72.44 O ATOM 1564 CB LYS A 99 12.755 -30.241 -19.543 1.00 71.23 C ATOM 1565 CG LYS A 99 11.497 -30.341 -18.697 1.00 45.41 C ATOM 1566 CD LYS A 99 10.639 -31.525 -19.110 1.00 43.43 C ATOM 1567 CE LYS A 99 11.090 -32.806 -18.425 1.00 50.42 C ATOM 1568 NZ LYS A 99 10.538 -32.921 -17.047 1.00 21.20 N ATOM 0 H LYS A 99 12.342 -27.823 -19.282 1.00 44.35 H new ATOM 0 HA LYS A 99 14.086 -29.625 -17.970 1.00 35.42 H new ATOM 0 HB2 LYS A 99 12.483 -29.907 -20.544 1.00 71.23 H new ATOM 0 HB3 LYS A 99 13.193 -31.234 -19.646 1.00 71.23 H new ATOM 0 HG2 LYS A 99 11.771 -30.438 -17.646 1.00 45.41 H new ATOM 0 HG3 LYS A 99 10.920 -29.421 -18.792 1.00 45.41 H new ATOM 0 HD2 LYS A 99 9.597 -31.325 -18.860 1.00 43.43 H new ATOM 0 HD3 LYS A 99 10.689 -31.652 -20.191 1.00 43.43 H new ATOM 0 HE2 LYS A 99 10.773 -33.665 -19.016 1.00 50.42 H new ATOM 0 HE3 LYS A 99 12.179 -32.832 -18.384 1.00 50.42 H new ATOM 0 HZ1 LYS A 99 10.868 -33.807 -16.614 1.00 21.20 H new ATOM 0 HZ2 LYS A 99 10.861 -32.115 -16.475 1.00 21.20 H new ATOM 0 HZ3 LYS A 99 9.499 -32.922 -17.088 1.00 21.20 H new