USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 915 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 61 ASN :FLIP amide:sc= -0.267 F(o=-1.4,f=-0.13) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0.139 USER MOD Set 2.1: A 10 TYR OH : rot -62:sc= 0.634 USER MOD Set 2.2: A 35 HIS :FLIP no HD1:sc= -2.94 F(o=-4.3,f=-2.3) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 33 THR OG1 : rot 75:sc= 0.584 USER MOD Set 4.1: A 15 CYS SG : rot -110:sc= -0.0713 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 18 MET CE :methyl -151:sc= -2.98 (180deg=-4.69!) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000337) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.369 K(o=-0.37,f=-2) USER MOD Single : A 32 TYR OH : rot 70:sc= -2.62! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= -0.0411 (180deg=-0.322) USER MOD Single : A 46 THR OG1 : rot 44:sc= 0.366 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 80:sc= 1.01 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.32) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 87 MET CE :methyl 153:sc= -0.172 (180deg=-1.36) USER MOD Single : A 90 GLN : amide:sc= -0.385 X(o=-0.38,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= -0.603 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -128:sc= -0.867 (180deg=-1.48) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.016) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 7 0.267 0.451 -17.415 1.00 10.34 N ATOM 69 CA VAL A 7 0.753 -0.546 -18.362 1.00 2.44 C ATOM 70 C VAL A 7 -0.362 -1.009 -19.293 1.00 5.32 C ATOM 71 O VAL A 7 -1.493 -1.236 -18.862 1.00 24.25 O ATOM 72 CB VAL A 7 1.340 -1.770 -17.634 1.00 52.12 C ATOM 73 CG1 VAL A 7 0.285 -2.431 -16.762 1.00 54.24 C ATOM 74 CG2 VAL A 7 1.911 -2.762 -18.637 1.00 43.52 C ATOM 0 HA VAL A 7 1.538 -0.070 -18.949 1.00 2.44 H new ATOM 0 HB VAL A 7 2.150 -1.432 -16.988 1.00 52.12 H new ATOM 0 HG11 VAL A 7 0.719 -3.293 -16.256 1.00 54.24 H new ATOM 0 HG12 VAL A 7 -0.073 -1.717 -16.020 1.00 54.24 H new ATOM 0 HG13 VAL A 7 -0.549 -2.757 -17.384 1.00 54.24 H new ATOM 0 HG21 VAL A 7 2.322 -3.621 -18.106 1.00 43.52 H new ATOM 0 HG22 VAL A 7 1.121 -3.095 -19.309 1.00 43.52 H new ATOM 0 HG23 VAL A 7 2.700 -2.281 -19.215 1.00 43.52 H new ATOM 84 N THR A 8 -0.035 -1.146 -20.574 1.00 15.13 N ATOM 85 CA THR A 8 -1.009 -1.582 -21.569 1.00 55.12 C ATOM 86 C THR A 8 -0.502 -2.793 -22.341 1.00 32.31 C ATOM 87 O THR A 8 0.678 -2.871 -22.686 1.00 11.22 O ATOM 88 CB THR A 8 -1.339 -0.452 -22.563 1.00 32.32 C ATOM 89 OG1 THR A 8 -1.882 0.674 -21.865 1.00 2.03 O ATOM 90 CG2 THR A 8 -2.330 -0.930 -23.614 1.00 55.11 C ATOM 0 H THR A 8 0.896 -0.962 -20.947 1.00 15.13 H new ATOM 0 HA THR A 8 -1.915 -1.855 -21.028 1.00 55.12 H new ATOM 0 HB THR A 8 -0.416 -0.157 -23.063 1.00 32.32 H new ATOM 0 HG1 THR A 8 -2.087 1.388 -22.505 1.00 2.03 H new ATOM 0 HG21 THR A 8 -2.548 -0.116 -24.305 1.00 55.11 H new ATOM 0 HG22 THR A 8 -1.901 -1.768 -24.164 1.00 55.11 H new ATOM 0 HG23 THR A 8 -3.251 -1.249 -23.127 1.00 55.11 H new ATOM 98 N ILE A 9 -1.399 -3.735 -22.612 1.00 40.31 N ATOM 99 CA ILE A 9 -1.041 -4.942 -23.347 1.00 3.44 C ATOM 100 C ILE A 9 -1.766 -5.005 -24.687 1.00 62.44 C ATOM 101 O ILE A 9 -2.956 -4.702 -24.776 1.00 5.32 O ATOM 102 CB ILE A 9 -1.369 -6.211 -22.538 1.00 0.54 C ATOM 103 CG1 ILE A 9 -0.996 -7.461 -23.337 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.843 -6.235 -22.166 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.299 -8.754 -22.613 1.00 32.30 C ATOM 0 H ILE A 9 -2.379 -3.686 -22.334 1.00 40.31 H new ATOM 0 HA ILE A 9 0.034 -4.899 -23.520 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.782 -6.201 -21.619 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.534 -7.450 -24.285 1.00 33.21 H new ATOM 0 HG13 ILE A 9 0.067 -7.427 -23.574 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -3.059 -7.138 -21.595 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -3.080 -5.358 -21.563 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -3.447 -6.226 -23.073 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -1.009 -9.598 -23.239 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.740 -8.787 -21.678 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.367 -8.810 -22.400 1.00 32.30 H new ATOM 117 N TYR A 10 -1.041 -5.401 -25.727 1.00 4.54 N ATOM 118 CA TYR A 10 -1.615 -5.504 -27.064 1.00 30.24 C ATOM 119 C TYR A 10 -2.018 -6.941 -27.375 1.00 22.21 C ATOM 120 O TYR A 10 -1.368 -7.890 -26.937 1.00 41.11 O ATOM 121 CB TYR A 10 -0.617 -5.005 -28.110 1.00 22.32 C ATOM 122 CG TYR A 10 -0.823 -3.560 -28.504 1.00 34.41 C ATOM 123 CD1 TYR A 10 -0.630 -2.535 -27.586 1.00 15.21 C ATOM 124 CD2 TYR A 10 -1.211 -3.219 -29.794 1.00 54.11 C ATOM 125 CE1 TYR A 10 -0.818 -1.213 -27.942 1.00 22.30 C ATOM 126 CE2 TYR A 10 -1.400 -1.901 -30.159 1.00 20.31 C ATOM 127 CZ TYR A 10 -1.203 -0.901 -29.229 1.00 60.44 C ATOM 128 OH TYR A 10 -1.390 0.414 -29.588 1.00 41.33 O ATOM 0 H TYR A 10 -0.055 -5.656 -25.670 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.508 -4.880 -27.097 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.394 -5.126 -27.722 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -0.694 -5.630 -29.000 1.00 22.32 H new ATOM 0 HD1 TYR A 10 -0.328 -2.775 -26.577 1.00 15.21 H new ATOM 0 HD2 TYR A 10 -1.368 -3.999 -30.524 1.00 54.11 H new ATOM 0 HE1 TYR A 10 -0.664 -0.428 -27.216 1.00 22.30 H new ATOM 0 HE2 TYR A 10 -1.700 -1.654 -31.167 1.00 20.31 H new ATOM 0 HH TYR A 10 -2.112 0.801 -29.050 1.00 41.33 H new ATOM 138 N GLY A 11 -3.099 -7.095 -28.135 1.00 41.24 N ATOM 139 CA GLY A 11 -3.572 -8.420 -28.492 1.00 3.41 C ATOM 140 C GLY A 11 -4.621 -8.385 -29.586 1.00 42.14 C ATOM 141 O GLY A 11 -4.857 -7.341 -30.196 1.00 61.14 O ATOM 0 H GLY A 11 -3.655 -6.326 -28.509 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.729 -9.027 -28.821 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.988 -8.904 -27.609 1.00 3.41 H new ATOM 145 N ILE A 12 -5.251 -9.528 -29.835 1.00 0.23 N ATOM 146 CA ILE A 12 -6.280 -9.624 -30.863 1.00 21.20 C ATOM 147 C ILE A 12 -7.535 -10.299 -30.323 1.00 0.25 C ATOM 148 O ILE A 12 -7.556 -10.782 -29.191 1.00 72.24 O ATOM 149 CB ILE A 12 -5.777 -10.405 -32.092 1.00 70.51 C ATOM 150 CG1 ILE A 12 -5.523 -11.868 -31.723 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.514 -9.765 -32.647 1.00 63.31 C ATOM 152 CD1 ILE A 12 -5.063 -12.715 -32.890 1.00 42.40 C ATOM 0 H ILE A 12 -5.067 -10.400 -29.339 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.521 -8.605 -31.165 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.545 -10.372 -32.865 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -4.771 -11.910 -30.935 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -6.438 -12.295 -31.313 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -4.172 -10.329 -33.515 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.726 -8.738 -32.942 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.738 -9.769 -31.882 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.902 -13.740 -32.555 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -5.824 -12.703 -33.670 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -4.131 -12.313 -33.286 1.00 42.40 H new ATOM 164 N LYS A 13 -8.582 -10.333 -31.141 1.00 73.52 N ATOM 165 CA LYS A 13 -9.842 -10.952 -30.748 1.00 71.53 C ATOM 166 C LYS A 13 -9.858 -12.433 -31.116 1.00 42.41 C ATOM 167 O LYS A 13 -9.347 -12.827 -32.162 1.00 70.40 O ATOM 168 CB LYS A 13 -11.017 -10.237 -31.419 1.00 10.01 C ATOM 169 CG LYS A 13 -10.883 -10.132 -32.929 1.00 12.21 C ATOM 170 CD LYS A 13 -12.132 -9.536 -33.559 1.00 11.45 C ATOM 171 CE LYS A 13 -12.209 -8.035 -33.330 1.00 71.10 C ATOM 172 NZ LYS A 13 -13.613 -7.540 -33.358 1.00 71.14 N ATOM 0 H LYS A 13 -8.582 -9.938 -32.082 1.00 73.52 H new ATOM 0 HA LYS A 13 -9.940 -10.862 -29.666 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -11.939 -10.768 -31.180 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -11.109 -9.235 -31.000 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -10.019 -9.515 -33.177 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -10.699 -11.121 -33.349 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -12.135 -9.743 -34.629 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -13.017 -10.015 -33.139 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -11.757 -7.791 -32.369 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -11.628 -7.521 -34.095 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -13.622 -6.512 -33.198 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -14.037 -7.750 -34.284 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -14.162 -8.011 -32.611 1.00 71.14 H new ATOM 186 N ASN A 14 -10.449 -13.246 -30.247 1.00 14.55 N ATOM 187 CA ASN A 14 -10.533 -14.684 -30.481 1.00 43.33 C ATOM 188 C ASN A 14 -9.143 -15.310 -30.519 1.00 4.54 C ATOM 189 O ASN A 14 -8.744 -15.900 -31.524 1.00 13.15 O ATOM 190 CB ASN A 14 -11.267 -14.966 -31.794 1.00 12.44 C ATOM 191 CG ASN A 14 -11.970 -16.310 -31.786 1.00 1.15 C ATOM 192 OD1 ASN A 14 -12.734 -16.618 -30.870 1.00 11.24 O ATOM 193 ND2 ASN A 14 -11.714 -17.117 -32.808 1.00 4.23 N ATOM 0 H ASN A 14 -10.877 -12.935 -29.375 1.00 14.55 H new ATOM 0 HA ASN A 14 -11.091 -15.129 -29.657 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -11.998 -14.178 -31.975 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -10.555 -14.936 -32.619 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -12.157 -18.034 -32.857 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -11.074 -16.820 -33.545 1.00 4.23 H new ATOM 200 N CYS A 15 -8.410 -15.179 -29.419 1.00 13.42 N ATOM 201 CA CYS A 15 -7.064 -15.732 -29.325 1.00 5.12 C ATOM 202 C CYS A 15 -6.896 -16.539 -28.043 1.00 45.42 C ATOM 203 O CYS A 15 -7.689 -16.413 -27.109 1.00 62.11 O ATOM 204 CB CYS A 15 -6.025 -14.611 -29.377 1.00 22.14 C ATOM 205 SG CYS A 15 -4.431 -15.113 -30.066 1.00 2.24 S ATOM 0 H CYS A 15 -8.726 -14.694 -28.579 1.00 13.42 H new ATOM 0 HA CYS A 15 -6.911 -16.398 -30.174 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -6.423 -13.789 -29.972 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -5.868 -14.228 -28.368 1.00 22.14 H new ATOM 0 HG CYS A 15 -3.537 -15.131 -29.122 1.00 2.24 H new ATOM 211 N ASP A 16 -5.859 -17.368 -28.003 1.00 14.03 N ATOM 212 CA ASP A 16 -5.587 -18.198 -26.835 1.00 11.23 C ATOM 213 C ASP A 16 -4.471 -17.594 -25.988 1.00 34.34 C ATOM 214 O ASP A 16 -4.574 -17.521 -24.763 1.00 45.12 O ATOM 215 CB ASP A 16 -5.206 -19.615 -27.266 1.00 50.21 C ATOM 216 CG ASP A 16 -5.992 -20.083 -28.475 1.00 54.43 C ATOM 217 OD1 ASP A 16 -7.240 -20.048 -28.422 1.00 34.14 O ATOM 218 OD2 ASP A 16 -5.360 -20.483 -29.474 1.00 34.04 O ATOM 0 H ASP A 16 -5.192 -17.483 -28.766 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.494 -18.242 -26.232 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -4.141 -19.648 -27.494 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -5.376 -20.302 -26.437 1.00 50.21 H new ATOM 223 N THR A 17 -3.401 -17.161 -26.649 1.00 62.21 N ATOM 224 CA THR A 17 -2.265 -16.565 -25.959 1.00 10.24 C ATOM 225 C THR A 17 -2.714 -15.449 -25.022 1.00 43.54 C ATOM 226 O THR A 17 -2.445 -15.487 -23.821 1.00 32.13 O ATOM 227 CB THR A 17 -1.234 -16.000 -26.954 1.00 64.53 C ATOM 228 OG1 THR A 17 -1.248 -16.769 -28.162 1.00 51.14 O ATOM 229 CG2 THR A 17 0.163 -16.014 -26.354 1.00 13.05 C ATOM 0 H THR A 17 -3.298 -17.213 -27.663 1.00 62.21 H new ATOM 0 HA THR A 17 -1.798 -17.360 -25.377 1.00 10.24 H new ATOM 0 HB THR A 17 -1.505 -14.968 -27.177 1.00 64.53 H new ATOM 0 HG1 THR A 17 -0.591 -16.403 -28.790 1.00 51.14 H new ATOM 0 HG21 THR A 17 0.873 -15.610 -27.076 1.00 13.05 H new ATOM 0 HG22 THR A 17 0.177 -15.404 -25.451 1.00 13.05 H new ATOM 0 HG23 THR A 17 0.442 -17.038 -26.105 1.00 13.05 H new ATOM 237 N MET A 18 -3.402 -14.458 -25.578 1.00 61.22 N ATOM 238 CA MET A 18 -3.889 -13.331 -24.791 1.00 4.42 C ATOM 239 C MET A 18 -4.705 -13.815 -23.596 1.00 72.34 C ATOM 240 O MET A 18 -4.637 -13.241 -22.510 1.00 54.40 O ATOM 241 CB MET A 18 -4.739 -12.403 -25.661 1.00 41.43 C ATOM 242 CG MET A 18 -4.014 -11.897 -26.898 1.00 42.31 C ATOM 243 SD MET A 18 -2.515 -10.980 -26.497 1.00 61.21 S ATOM 244 CE MET A 18 -3.152 -9.785 -25.324 1.00 35.43 C ATOM 0 H MET A 18 -3.635 -14.412 -26.570 1.00 61.22 H new ATOM 0 HA MET A 18 -3.025 -12.779 -24.420 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.641 -12.932 -25.969 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.059 -11.550 -25.063 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.758 -12.743 -27.536 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.685 -11.257 -27.471 1.00 42.31 H new ATOM 0 HE1 MET A 18 -2.552 -8.876 -25.369 1.00 35.43 H new ATOM 0 HE2 MET A 18 -4.187 -9.549 -25.571 1.00 35.43 H new ATOM 0 HE3 MET A 18 -3.104 -10.202 -24.318 1.00 35.43 H new ATOM 254 N LYS A 19 -5.478 -14.877 -23.805 1.00 34.45 N ATOM 255 CA LYS A 19 -6.306 -15.440 -22.746 1.00 44.21 C ATOM 256 C LYS A 19 -5.459 -15.817 -21.535 1.00 43.12 C ATOM 257 O LYS A 19 -5.761 -15.424 -20.407 1.00 22.52 O ATOM 258 CB LYS A 19 -7.058 -16.670 -23.259 1.00 42.21 C ATOM 259 CG LYS A 19 -8.412 -16.875 -22.599 1.00 0.44 C ATOM 260 CD LYS A 19 -9.481 -16.009 -23.241 1.00 30.12 C ATOM 261 CE LYS A 19 -10.873 -16.404 -22.772 1.00 54.50 C ATOM 262 NZ LYS A 19 -11.057 -16.165 -21.314 1.00 12.14 N ATOM 0 H LYS A 19 -5.547 -15.364 -24.698 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.027 -14.682 -22.440 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -7.199 -16.576 -24.336 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.445 -17.556 -23.093 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.699 -17.924 -22.673 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.340 -16.639 -21.537 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -9.297 -14.962 -22.998 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.422 -16.100 -24.326 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -11.618 -15.837 -23.330 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -11.044 -17.458 -22.991 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -12.024 -16.431 -21.038 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -10.374 -16.739 -20.779 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -10.902 -15.158 -21.105 1.00 12.14 H new ATOM 276 N LYS A 20 -4.399 -16.579 -21.775 1.00 34.44 N ATOM 277 CA LYS A 20 -3.505 -17.007 -20.704 1.00 13.54 C ATOM 278 C LYS A 20 -2.813 -15.810 -20.062 1.00 54.33 C ATOM 279 O LYS A 20 -2.764 -15.691 -18.838 1.00 71.32 O ATOM 280 CB LYS A 20 -2.460 -17.986 -21.245 1.00 51.40 C ATOM 281 CG LYS A 20 -3.061 -19.197 -21.938 1.00 41.13 C ATOM 282 CD LYS A 20 -2.000 -20.233 -22.269 1.00 21.45 C ATOM 283 CE LYS A 20 -2.613 -21.607 -22.489 1.00 33.50 C ATOM 284 NZ LYS A 20 -1.663 -22.536 -23.161 1.00 30.33 N ATOM 0 H LYS A 20 -4.137 -16.914 -22.702 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.103 -17.508 -19.943 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -1.812 -17.461 -21.947 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -1.831 -18.324 -20.422 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -3.820 -19.645 -21.297 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -3.562 -18.882 -22.854 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -1.458 -19.927 -23.164 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -1.273 -20.283 -21.458 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -2.915 -22.028 -21.530 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -3.515 -21.510 -23.093 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -2.118 -23.462 -23.293 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -1.394 -22.147 -24.087 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -0.813 -22.649 -22.573 1.00 30.33 H new ATOM 298 N ALA A 21 -2.279 -14.923 -20.896 1.00 53.12 N ATOM 299 CA ALA A 21 -1.592 -13.733 -20.410 1.00 1.22 C ATOM 300 C ALA A 21 -2.507 -12.896 -19.521 1.00 43.50 C ATOM 301 O ALA A 21 -2.095 -12.422 -18.463 1.00 22.15 O ATOM 302 CB ALA A 21 -1.083 -12.902 -21.579 1.00 20.30 C ATOM 0 H ALA A 21 -2.309 -15.007 -21.912 1.00 53.12 H new ATOM 0 HA ALA A 21 -0.741 -14.054 -19.810 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.572 -12.017 -21.201 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.388 -13.496 -22.172 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -1.924 -12.597 -22.202 1.00 20.30 H new ATOM 308 N ARG A 22 -3.748 -12.718 -19.960 1.00 25.34 N ATOM 309 CA ARG A 22 -4.721 -11.936 -19.206 1.00 62.34 C ATOM 310 C ARG A 22 -5.030 -12.600 -17.867 1.00 32.15 C ATOM 311 O ARG A 22 -5.002 -11.952 -16.820 1.00 70.51 O ATOM 312 CB ARG A 22 -6.008 -11.767 -20.013 1.00 44.13 C ATOM 313 CG ARG A 22 -5.888 -10.762 -21.148 1.00 55.33 C ATOM 314 CD ARG A 22 -7.111 -10.791 -22.049 1.00 32.33 C ATOM 315 NE ARG A 22 -8.251 -10.102 -21.448 1.00 60.44 N ATOM 316 CZ ARG A 22 -9.454 -10.048 -22.007 1.00 11.23 C ATOM 317 NH1 ARG A 22 -9.675 -10.637 -23.174 1.00 3.41 N ATOM 318 NH2 ARG A 22 -10.440 -9.402 -21.398 1.00 10.54 N ATOM 0 H ARG A 22 -4.104 -13.105 -20.834 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.290 -10.953 -19.015 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.299 -12.734 -20.424 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.808 -11.452 -19.343 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -5.761 -9.761 -20.737 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -4.996 -10.980 -21.736 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -6.869 -10.325 -23.004 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -7.382 -11.826 -22.259 1.00 32.33 H new ATOM 0 HE ARG A 22 -8.115 -9.637 -20.550 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -8.919 -11.134 -23.646 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -10.601 -10.593 -23.600 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -10.274 -8.947 -20.500 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -11.364 -9.360 -21.827 1.00 10.54 H new ATOM 332 N ILE A 23 -5.327 -13.895 -17.910 1.00 34.41 N ATOM 333 CA ILE A 23 -5.641 -14.646 -16.701 1.00 74.45 C ATOM 334 C ILE A 23 -4.486 -14.596 -15.706 1.00 44.23 C ATOM 335 O ILE A 23 -4.699 -14.533 -14.496 1.00 42.13 O ATOM 336 CB ILE A 23 -5.966 -16.117 -17.021 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.169 -16.203 -17.961 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.233 -16.891 -15.738 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.158 -17.430 -18.846 1.00 52.43 C ATOM 0 H ILE A 23 -5.357 -14.445 -18.768 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.519 -14.177 -16.257 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.106 -16.564 -17.520 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.084 -16.201 -17.368 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.194 -15.312 -18.589 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.461 -17.929 -15.980 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.350 -16.853 -15.100 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -7.079 -16.446 -15.214 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.040 -17.425 -19.486 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.261 -17.424 -19.465 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.165 -18.326 -18.226 1.00 52.43 H new ATOM 351 N TRP A 24 -3.265 -14.624 -16.226 1.00 31.51 N ATOM 352 CA TRP A 24 -2.074 -14.580 -15.384 1.00 62.05 C ATOM 353 C TRP A 24 -1.930 -13.218 -14.715 1.00 74.25 C ATOM 354 O TRP A 24 -1.716 -13.128 -13.505 1.00 4.31 O ATOM 355 CB TRP A 24 -0.827 -14.892 -16.211 1.00 3.42 C ATOM 356 CG TRP A 24 0.336 -15.350 -15.385 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.678 -16.640 -15.096 1.00 42.14 C ATOM 358 CD2 TRP A 24 1.308 -14.520 -14.738 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.804 -16.663 -14.309 1.00 71.32 N ATOM 360 CE2 TRP A 24 2.210 -15.375 -14.076 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.505 -13.140 -14.656 1.00 41.34 C ATOM 362 CZ2 TRP A 24 3.290 -14.893 -13.342 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.577 -12.662 -13.927 1.00 2.15 C ATOM 364 CH2 TRP A 24 3.459 -13.536 -13.279 1.00 64.41 C ATOM 0 H TRP A 24 -3.073 -14.677 -17.226 1.00 31.51 H new ATOM 0 HA TRP A 24 -2.182 -15.335 -14.606 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.069 -15.663 -16.943 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.538 -14.001 -16.769 1.00 3.42 H new ATOM 0 HD1 TRP A 24 0.142 -17.514 -15.436 1.00 42.14 H new ATOM 0 HE1 TRP A 24 2.263 -17.502 -13.956 1.00 71.32 H new ATOM 0 HE3 TRP A 24 0.831 -12.458 -15.154 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.970 -15.565 -12.840 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.738 -11.596 -13.856 1.00 2.15 H new ATOM 0 HH2 TRP A 24 4.289 -13.131 -12.719 1.00 64.41 H new ATOM 375 N LEU A 25 -2.050 -12.159 -15.509 1.00 11.33 N ATOM 376 CA LEU A 25 -1.932 -10.799 -14.993 1.00 44.32 C ATOM 377 C LEU A 25 -2.983 -10.532 -13.920 1.00 51.32 C ATOM 378 O LEU A 25 -2.671 -10.014 -12.848 1.00 43.22 O ATOM 379 CB LEU A 25 -2.079 -9.787 -16.130 1.00 70.24 C ATOM 380 CG LEU A 25 -0.780 -9.328 -16.792 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.138 -8.677 -15.769 1.00 21.14 C ATOM 382 CD2 LEU A 25 -0.082 -10.498 -17.469 1.00 3.23 C ATOM 0 H LEU A 25 -2.229 -12.216 -16.512 1.00 11.33 H new ATOM 0 HA LEU A 25 -0.945 -10.691 -14.544 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.720 -10.223 -16.897 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.596 -8.909 -15.743 1.00 70.24 H new ATOM 0 HG LEU A 25 -1.025 -8.588 -17.554 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.058 -8.356 -16.258 1.00 21.14 H new ATOM 0 HD12 LEU A 25 -0.361 -7.812 -15.331 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.375 -9.395 -14.984 1.00 21.14 H new ATOM 0 HD21 LEU A 25 0.841 -10.151 -17.935 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.151 -11.262 -16.727 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.737 -10.920 -18.231 1.00 3.23 H new ATOM 394 N GLU A 26 -4.229 -10.891 -14.216 1.00 61.23 N ATOM 395 CA GLU A 26 -5.324 -10.689 -13.275 1.00 64.31 C ATOM 396 C GLU A 26 -5.166 -11.593 -12.055 1.00 74.22 C ATOM 397 O GLU A 26 -5.515 -11.211 -10.938 1.00 53.23 O ATOM 398 CB GLU A 26 -6.667 -10.963 -13.955 1.00 32.45 C ATOM 399 CG GLU A 26 -6.881 -12.424 -14.316 1.00 31.13 C ATOM 400 CD GLU A 26 -8.186 -12.659 -15.050 1.00 44.21 C ATOM 401 OE1 GLU A 26 -8.556 -11.811 -15.889 1.00 13.03 O ATOM 402 OE2 GLU A 26 -8.838 -13.691 -14.787 1.00 61.24 O ATOM 0 H GLU A 26 -4.504 -11.322 -15.098 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.298 -9.651 -12.943 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -7.472 -10.639 -13.295 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -6.736 -10.360 -14.860 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -6.053 -12.766 -14.937 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -6.867 -13.025 -13.407 1.00 31.13 H new ATOM 409 N ASP A 27 -4.641 -12.792 -12.278 1.00 34.31 N ATOM 410 CA ASP A 27 -4.436 -13.751 -11.198 1.00 72.41 C ATOM 411 C ASP A 27 -3.447 -13.208 -10.171 1.00 33.14 C ATOM 412 O ASP A 27 -3.684 -13.285 -8.965 1.00 3.11 O ATOM 413 CB ASP A 27 -3.931 -15.081 -11.759 1.00 42.32 C ATOM 414 CG ASP A 27 -3.476 -16.032 -10.669 1.00 63.52 C ATOM 415 OD1 ASP A 27 -4.265 -16.286 -9.736 1.00 45.10 O ATOM 416 OD2 ASP A 27 -2.329 -16.520 -10.748 1.00 71.12 O ATOM 0 H ASP A 27 -4.349 -13.124 -13.197 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.393 -13.915 -10.702 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -4.724 -15.552 -12.340 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.103 -14.893 -12.443 1.00 42.32 H new ATOM 421 N HIS A 28 -2.337 -12.660 -10.657 1.00 21.13 N ATOM 422 CA HIS A 28 -1.312 -12.106 -9.781 1.00 13.54 C ATOM 423 C HIS A 28 -1.811 -10.838 -9.095 1.00 43.42 C ATOM 424 O HIS A 28 -1.239 -10.391 -8.102 1.00 0.32 O ATOM 425 CB HIS A 28 -0.041 -11.805 -10.575 1.00 14.43 C ATOM 426 CG HIS A 28 1.013 -12.861 -10.442 1.00 55.54 C ATOM 427 ND1 HIS A 28 2.292 -12.597 -10.001 1.00 12.03 N ATOM 428 CD2 HIS A 28 0.970 -14.190 -10.694 1.00 71.45 C ATOM 429 CE1 HIS A 28 2.992 -13.717 -9.988 1.00 24.52 C ATOM 430 NE2 HIS A 28 2.212 -14.699 -10.405 1.00 21.13 N ATOM 0 H HIS A 28 -2.125 -12.588 -11.652 1.00 21.13 H new ATOM 0 HA HIS A 28 -1.085 -12.847 -9.014 1.00 13.54 H new ATOM 0 HB2 HIS A 28 -0.299 -11.691 -11.628 1.00 14.43 H new ATOM 0 HB3 HIS A 28 0.368 -10.851 -10.242 1.00 14.43 H new ATOM 0 HD2 HIS A 28 0.118 -14.746 -11.055 1.00 71.45 H new ATOM 0 HE1 HIS A 28 4.025 -13.814 -9.688 1.00 24.52 H new ATOM 0 HE2 HIS A 28 2.488 -15.677 -10.497 1.00 21.13 H new ATOM 438 N GLY A 29 -2.881 -10.260 -9.636 1.00 43.32 N ATOM 439 CA GLY A 29 -3.437 -9.048 -9.063 1.00 61.30 C ATOM 440 C GLY A 29 -2.793 -7.795 -9.621 1.00 13.24 C ATOM 441 O GLY A 29 -2.600 -6.815 -8.901 1.00 52.32 O ATOM 0 H GLY A 29 -3.371 -10.609 -10.459 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -4.510 -9.018 -9.255 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -3.307 -9.069 -7.981 1.00 61.30 H new ATOM 445 N ILE A 30 -2.458 -7.826 -10.907 1.00 54.44 N ATOM 446 CA ILE A 30 -1.831 -6.684 -11.560 1.00 74.22 C ATOM 447 C ILE A 30 -2.807 -5.985 -12.501 1.00 61.31 C ATOM 448 O ILE A 30 -3.629 -6.631 -13.152 1.00 14.22 O ATOM 449 CB ILE A 30 -0.582 -7.106 -12.355 1.00 33.02 C ATOM 450 CG1 ILE A 30 0.322 -7.991 -11.495 1.00 74.32 C ATOM 451 CG2 ILE A 30 0.177 -5.880 -12.841 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.540 -8.506 -12.228 1.00 25.45 C ATOM 0 H ILE A 30 -2.610 -8.629 -11.517 1.00 54.44 H new ATOM 0 HA ILE A 30 -1.533 -5.994 -10.771 1.00 74.22 H new ATOM 0 HB ILE A 30 -0.901 -7.680 -13.225 1.00 33.02 H new ATOM 0 HG12 ILE A 30 0.646 -7.425 -10.622 1.00 74.32 H new ATOM 0 HG13 ILE A 30 -0.256 -8.839 -11.128 1.00 74.32 H new ATOM 0 HG21 ILE A 30 1.057 -6.195 -13.401 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -0.469 -5.284 -13.486 1.00 52.12 H new ATOM 0 HG23 ILE A 30 0.487 -5.281 -11.985 1.00 52.12 H new ATOM 0 HD11 ILE A 30 2.134 -9.126 -11.556 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.224 -9.100 -13.086 1.00 25.45 H new ATOM 0 HD13 ILE A 30 2.141 -7.664 -12.571 1.00 25.45 H new ATOM 464 N ASP A 31 -2.709 -4.662 -12.570 1.00 75.12 N ATOM 465 CA ASP A 31 -3.581 -3.874 -13.435 1.00 21.24 C ATOM 466 C ASP A 31 -2.973 -3.722 -14.825 1.00 75.12 C ATOM 467 O ASP A 31 -1.872 -3.190 -14.977 1.00 63.43 O ATOM 468 CB ASP A 31 -3.834 -2.497 -12.821 1.00 24.41 C ATOM 469 CG ASP A 31 -4.566 -1.566 -13.768 1.00 12.42 C ATOM 470 OD1 ASP A 31 -5.358 -2.065 -14.594 1.00 24.32 O ATOM 471 OD2 ASP A 31 -4.348 -0.341 -13.681 1.00 60.30 O ATOM 0 H ASP A 31 -2.035 -4.112 -12.038 1.00 75.12 H new ATOM 0 HA ASP A 31 -4.531 -4.400 -13.530 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -4.416 -2.612 -11.907 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -2.882 -2.048 -12.538 1.00 24.41 H new ATOM 476 N TYR A 32 -3.694 -4.192 -15.835 1.00 1.34 N ATOM 477 CA TYR A 32 -3.225 -4.111 -17.214 1.00 14.55 C ATOM 478 C TYR A 32 -4.350 -3.676 -18.148 1.00 23.04 C ATOM 479 O TYR A 32 -5.471 -4.180 -18.066 1.00 43.04 O ATOM 480 CB TYR A 32 -2.665 -5.461 -17.665 1.00 44.01 C ATOM 481 CG TYR A 32 -1.163 -5.568 -17.533 1.00 2.43 C ATOM 482 CD1 TYR A 32 -0.546 -5.482 -16.291 1.00 2.21 C ATOM 483 CD2 TYR A 32 -0.360 -5.753 -18.652 1.00 41.42 C ATOM 484 CE1 TYR A 32 0.827 -5.579 -16.167 1.00 1.10 C ATOM 485 CE2 TYR A 32 1.014 -5.852 -18.538 1.00 0.12 C ATOM 486 CZ TYR A 32 1.602 -5.764 -17.293 1.00 70.01 C ATOM 487 OH TYR A 32 2.969 -5.860 -17.175 1.00 34.31 O ATOM 0 H TYR A 32 -4.607 -4.634 -15.726 1.00 1.34 H new ATOM 0 HA TYR A 32 -2.432 -3.364 -17.258 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -3.130 -6.252 -17.077 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -2.943 -5.631 -18.705 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -1.150 -5.337 -15.407 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -0.818 -5.821 -19.628 1.00 41.42 H new ATOM 0 HE1 TYR A 32 1.291 -5.510 -15.194 1.00 1.10 H new ATOM 0 HE2 TYR A 32 1.623 -5.997 -19.418 1.00 0.12 H new ATOM 0 HH TYR A 32 3.201 -6.706 -16.739 1.00 34.31 H new ATOM 497 N THR A 33 -4.042 -2.739 -19.039 1.00 12.42 N ATOM 498 CA THR A 33 -5.025 -2.234 -19.989 1.00 70.00 C ATOM 499 C THR A 33 -5.073 -3.101 -21.242 1.00 44.51 C ATOM 500 O THR A 33 -4.059 -3.301 -21.910 1.00 22.54 O ATOM 501 CB THR A 33 -4.720 -0.781 -20.396 1.00 0.30 C ATOM 502 OG1 THR A 33 -4.165 -0.067 -19.285 1.00 62.20 O ATOM 503 CG2 THR A 33 -5.979 -0.077 -20.879 1.00 52.41 C ATOM 0 H THR A 33 -3.118 -2.314 -19.122 1.00 12.42 H new ATOM 0 HA THR A 33 -5.993 -2.267 -19.489 1.00 70.00 H new ATOM 0 HB THR A 33 -3.998 -0.801 -21.213 1.00 0.30 H new ATOM 0 HG1 THR A 33 -3.235 -0.344 -19.150 1.00 62.20 H new ATOM 0 HG21 THR A 33 -5.737 0.948 -21.161 1.00 52.41 H new ATOM 0 HG22 THR A 33 -6.383 -0.605 -21.743 1.00 52.41 H new ATOM 0 HG23 THR A 33 -6.720 -0.069 -20.080 1.00 52.41 H new ATOM 511 N PHE A 34 -6.259 -3.615 -21.556 1.00 20.02 N ATOM 512 CA PHE A 34 -6.439 -4.461 -22.729 1.00 51.35 C ATOM 513 C PHE A 34 -6.509 -3.621 -24.000 1.00 63.42 C ATOM 514 O PHE A 34 -7.355 -2.735 -24.127 1.00 51.44 O ATOM 515 CB PHE A 34 -7.710 -5.300 -22.588 1.00 74.40 C ATOM 516 CG PHE A 34 -7.953 -6.220 -23.752 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.930 -7.007 -24.255 1.00 15.04 C ATOM 518 CD2 PHE A 34 -9.205 -6.296 -24.341 1.00 54.34 C ATOM 519 CE1 PHE A 34 -7.150 -7.854 -25.325 1.00 11.43 C ATOM 520 CE2 PHE A 34 -9.431 -7.142 -25.411 1.00 31.14 C ATOM 521 CZ PHE A 34 -8.403 -7.921 -25.904 1.00 71.33 C ATOM 0 H PHE A 34 -7.109 -3.460 -21.014 1.00 20.02 H new ATOM 0 HA PHE A 34 -5.579 -5.126 -22.802 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -7.646 -5.891 -21.675 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -8.565 -4.634 -22.477 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.949 -6.958 -23.806 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -10.013 -5.688 -23.960 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -6.344 -8.462 -25.708 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -10.411 -7.194 -25.861 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.578 -8.581 -26.740 1.00 71.33 H new ATOM 531 N HIS A 35 -5.612 -3.904 -24.940 1.00 30.12 N ATOM 532 CA HIS A 35 -5.570 -3.175 -26.202 1.00 4.21 C ATOM 533 C HIS A 35 -5.621 -4.135 -27.387 1.00 71.42 C ATOM 534 O HIS A 35 -4.746 -4.986 -27.546 1.00 23.35 O ATOM 535 CB HIS A 35 -4.306 -2.318 -26.280 1.00 32.13 C ATOM 536 CG HIS A 35 -4.268 -1.412 -27.472 1.00 2.30 C ATOM 537 ND1 HIS A 35 -4.356 -1.686 -28.795 1.00 73.35 N flip ATOM 538 CD2 HIS A 35 -4.123 -0.045 -27.374 1.00 54.12 C flip ATOM 539 CE1 HIS A 35 -4.264 -0.491 -29.464 1.00 51.22 C flip ATOM 540 NE2 HIS A 35 -4.124 0.485 -28.585 1.00 32.22 N flip ATOM 0 H HIS A 35 -4.905 -4.633 -24.851 1.00 30.12 H new ATOM 0 HA HIS A 35 -6.444 -2.525 -26.245 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -4.229 -1.716 -25.374 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -3.434 -2.972 -26.304 1.00 32.13 H new ATOM 0 HD2 HIS A 35 -4.024 0.507 -26.451 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -4.300 -0.368 -30.536 1.00 51.22 H new ATOM 0 HE2 HIS A 35 -4.032 1.477 -28.803 1.00 32.22 H new ATOM 548 N ASP A 36 -6.651 -3.992 -28.214 1.00 25.23 N ATOM 549 CA ASP A 36 -6.817 -4.847 -29.383 1.00 42.21 C ATOM 550 C ASP A 36 -6.410 -4.111 -30.656 1.00 1.23 C ATOM 551 O ASP A 36 -6.759 -2.946 -30.850 1.00 31.51 O ATOM 552 CB ASP A 36 -8.267 -5.321 -29.495 1.00 24.32 C ATOM 553 CG ASP A 36 -8.446 -6.752 -29.031 1.00 34.45 C ATOM 554 OD1 ASP A 36 -7.524 -7.566 -29.249 1.00 70.42 O ATOM 555 OD2 ASP A 36 -9.507 -7.059 -28.450 1.00 21.31 O ATOM 0 H ASP A 36 -7.383 -3.292 -28.096 1.00 25.23 H new ATOM 0 HA ASP A 36 -6.168 -5.715 -29.262 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.907 -4.667 -28.902 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.595 -5.234 -30.531 1.00 24.32 H new ATOM 560 N TYR A 37 -5.669 -4.797 -31.519 1.00 30.14 N ATOM 561 CA TYR A 37 -5.211 -4.207 -32.772 1.00 33.02 C ATOM 562 C TYR A 37 -6.378 -3.608 -33.550 1.00 52.25 C ATOM 563 O TYR A 37 -6.231 -2.592 -34.229 1.00 44.22 O ATOM 564 CB TYR A 37 -4.501 -5.260 -33.625 1.00 4.33 C ATOM 565 CG TYR A 37 -5.443 -6.243 -34.283 1.00 34.33 C ATOM 566 CD1 TYR A 37 -6.154 -7.166 -33.526 1.00 74.22 C ATOM 567 CD2 TYR A 37 -5.622 -6.248 -35.661 1.00 30.14 C ATOM 568 CE1 TYR A 37 -7.016 -8.066 -34.123 1.00 34.11 C ATOM 569 CE2 TYR A 37 -6.482 -7.143 -36.266 1.00 74.45 C ATOM 570 CZ TYR A 37 -7.176 -8.051 -35.492 1.00 12.12 C ATOM 571 OH TYR A 37 -8.033 -8.946 -36.092 1.00 41.03 O ATOM 0 H TYR A 37 -5.373 -5.762 -31.374 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.509 -3.408 -32.534 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.917 -4.757 -34.396 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.797 -5.808 -32.999 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -6.031 -7.180 -32.453 1.00 74.22 H new ATOM 0 HD2 TYR A 37 -5.079 -5.540 -36.269 1.00 30.14 H new ATOM 0 HE1 TYR A 37 -7.561 -8.777 -33.520 1.00 34.11 H new ATOM 0 HE2 TYR A 37 -6.611 -7.133 -37.338 1.00 74.45 H new ATOM 0 HH TYR A 37 -8.031 -8.801 -37.061 1.00 41.03 H new ATOM 581 N LYS A 38 -7.539 -4.246 -33.446 1.00 0.11 N ATOM 582 CA LYS A 38 -8.735 -3.776 -34.138 1.00 54.34 C ATOM 583 C LYS A 38 -9.463 -2.723 -33.310 1.00 63.30 C ATOM 584 O LYS A 38 -10.047 -1.785 -33.855 1.00 51.11 O ATOM 585 CB LYS A 38 -9.673 -4.950 -34.430 1.00 63.31 C ATOM 586 CG LYS A 38 -10.629 -4.690 -35.581 1.00 54.42 C ATOM 587 CD LYS A 38 -9.907 -4.690 -36.918 1.00 63.40 C ATOM 588 CE LYS A 38 -10.874 -4.886 -38.075 1.00 74.30 C ATOM 589 NZ LYS A 38 -10.164 -5.191 -39.347 1.00 30.43 N ATOM 0 H LYS A 38 -7.678 -5.090 -32.890 1.00 0.11 H new ATOM 0 HA LYS A 38 -8.426 -3.322 -35.080 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -9.076 -5.834 -34.656 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -10.250 -5.176 -33.533 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -11.408 -5.453 -35.587 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -11.124 -3.730 -35.434 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -9.373 -3.748 -37.044 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -9.160 -5.483 -36.929 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -11.562 -5.698 -37.840 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -11.475 -3.986 -38.202 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -10.859 -5.318 -40.111 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -9.526 -4.405 -39.586 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -9.610 -6.064 -39.235 1.00 30.43 H new ATOM 603 N LYS A 39 -9.426 -2.881 -31.991 1.00 13.11 N ATOM 604 CA LYS A 39 -10.080 -1.943 -31.088 1.00 43.13 C ATOM 605 C LYS A 39 -9.619 -0.515 -31.360 1.00 2.14 C ATOM 606 O LYS A 39 -10.383 0.435 -31.194 1.00 41.33 O ATOM 607 CB LYS A 39 -9.787 -2.316 -29.632 1.00 74.40 C ATOM 608 CG LYS A 39 -10.358 -1.332 -28.626 1.00 14.42 C ATOM 609 CD LYS A 39 -10.018 -1.732 -27.201 1.00 32.52 C ATOM 610 CE LYS A 39 -10.155 -0.558 -26.244 1.00 13.12 C ATOM 611 NZ LYS A 39 -9.105 0.473 -26.478 1.00 4.24 N ATOM 0 H LYS A 39 -8.949 -3.652 -31.524 1.00 13.11 H new ATOM 0 HA LYS A 39 -11.155 -1.999 -31.262 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -10.195 -3.307 -29.430 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -8.708 -2.381 -29.492 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -9.967 -0.335 -28.828 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -11.441 -1.279 -28.742 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -10.676 -2.541 -26.882 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -8.999 -2.116 -27.163 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -11.140 -0.107 -26.362 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -10.089 -0.917 -25.217 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -8.997 1.058 -25.625 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -8.201 0.006 -26.694 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -9.383 1.076 -27.278 1.00 4.24 H new ATOM 625 N GLU A 40 -8.366 -0.372 -31.780 1.00 43.23 N ATOM 626 CA GLU A 40 -7.804 0.942 -32.074 1.00 30.23 C ATOM 627 C GLU A 40 -7.395 1.040 -33.542 1.00 71.01 C ATOM 628 O GLU A 40 -7.880 1.901 -34.276 1.00 70.35 O ATOM 629 CB GLU A 40 -6.597 1.218 -31.177 1.00 33.12 C ATOM 630 CG GLU A 40 -6.962 1.848 -29.843 1.00 71.13 C ATOM 631 CD GLU A 40 -7.759 3.128 -30.001 1.00 51.30 C ATOM 632 OE1 GLU A 40 -7.742 3.706 -31.108 1.00 43.15 O ATOM 633 OE2 GLU A 40 -8.400 3.552 -29.016 1.00 11.55 O ATOM 0 H GLU A 40 -7.721 -1.149 -31.924 1.00 43.23 H new ATOM 0 HA GLU A 40 -8.571 1.691 -31.876 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -6.069 0.282 -30.995 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -5.906 1.877 -31.704 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -7.540 1.135 -29.255 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -6.051 2.059 -29.283 1.00 71.13 H new ATOM 640 N GLY A 41 -6.499 0.153 -33.962 1.00 12.45 N ATOM 641 CA GLY A 41 -6.039 0.158 -35.338 1.00 0.44 C ATOM 642 C GLY A 41 -4.549 0.410 -35.450 1.00 54.13 C ATOM 643 O GLY A 41 -4.088 1.540 -35.283 1.00 32.21 O ATOM 0 H GLY A 41 -6.083 -0.569 -33.374 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -6.278 -0.799 -35.801 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -6.577 0.925 -35.895 1.00 0.44 H new ATOM 647 N LEU A 42 -3.791 -0.644 -35.732 1.00 61.22 N ATOM 648 CA LEU A 42 -2.342 -0.532 -35.865 1.00 32.11 C ATOM 649 C LEU A 42 -1.971 0.467 -36.957 1.00 60.11 C ATOM 650 O LEU A 42 -2.269 0.255 -38.132 1.00 61.12 O ATOM 651 CB LEU A 42 -1.732 -1.900 -36.179 1.00 31.00 C ATOM 652 CG LEU A 42 -0.376 -2.193 -35.535 1.00 10.43 C ATOM 653 CD1 LEU A 42 0.629 -1.108 -35.889 1.00 61.11 C ATOM 654 CD2 LEU A 42 -0.518 -2.319 -34.025 1.00 25.43 C ATOM 0 H LEU A 42 -4.155 -1.586 -35.873 1.00 61.22 H new ATOM 0 HA LEU A 42 -1.941 -0.171 -34.918 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -2.436 -2.670 -35.864 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -1.625 -1.989 -37.260 1.00 31.00 H new ATOM 0 HG LEU A 42 -0.008 -3.142 -35.925 1.00 10.43 H new ATOM 0 HD11 LEU A 42 1.588 -1.334 -35.422 1.00 61.11 H new ATOM 0 HD12 LEU A 42 0.753 -1.066 -36.971 1.00 61.11 H new ATOM 0 HD13 LEU A 42 0.267 -0.145 -35.528 1.00 61.11 H new ATOM 0 HD21 LEU A 42 0.457 -2.527 -33.584 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -0.909 -1.387 -33.617 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -1.204 -3.133 -33.791 1.00 25.43 H new ATOM 666 N ASP A 43 -1.318 1.553 -36.560 1.00 24.10 N ATOM 667 CA ASP A 43 -0.902 2.583 -37.505 1.00 33.24 C ATOM 668 C ASP A 43 0.600 2.514 -37.757 1.00 21.14 C ATOM 669 O ASP A 43 1.312 1.740 -37.119 1.00 4.53 O ATOM 670 CB ASP A 43 -1.281 3.968 -36.980 1.00 14.14 C ATOM 671 CG ASP A 43 -2.687 4.374 -37.379 1.00 53.01 C ATOM 672 OD1 ASP A 43 -3.648 3.769 -36.861 1.00 52.23 O ATOM 673 OD2 ASP A 43 -2.825 5.297 -38.210 1.00 4.11 O ATOM 0 H ASP A 43 -1.065 1.743 -35.590 1.00 24.10 H new ATOM 0 HA ASP A 43 -1.418 2.407 -38.449 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -1.198 3.977 -35.893 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -0.572 4.704 -37.360 1.00 14.14 H new ATOM 678 N ALA A 44 1.076 3.329 -38.693 1.00 11.33 N ATOM 679 CA ALA A 44 2.494 3.361 -39.030 1.00 41.31 C ATOM 680 C ALA A 44 3.337 3.747 -37.819 1.00 2.35 C ATOM 681 O ALA A 44 4.419 3.201 -37.606 1.00 3.31 O ATOM 682 CB ALA A 44 2.742 4.329 -40.177 1.00 54.41 C ATOM 0 H ALA A 44 0.500 3.976 -39.231 1.00 11.33 H new ATOM 0 HA ALA A 44 2.791 2.360 -39.343 1.00 41.31 H new ATOM 0 HB1 ALA A 44 3.805 4.343 -40.418 1.00 54.41 H new ATOM 0 HB2 ALA A 44 2.176 4.009 -41.052 1.00 54.41 H new ATOM 0 HB3 ALA A 44 2.423 5.329 -39.884 1.00 54.41 H new ATOM 688 N GLU A 45 2.834 4.691 -37.029 1.00 21.11 N ATOM 689 CA GLU A 45 3.542 5.149 -35.840 1.00 32.33 C ATOM 690 C GLU A 45 3.842 3.984 -34.902 1.00 22.11 C ATOM 691 O GLU A 45 4.983 3.790 -34.478 1.00 3.32 O ATOM 692 CB GLU A 45 2.719 6.210 -35.106 1.00 25.10 C ATOM 693 CG GLU A 45 3.458 6.861 -33.949 1.00 65.44 C ATOM 694 CD GLU A 45 4.650 7.680 -34.404 1.00 54.25 C ATOM 695 OE1 GLU A 45 4.579 8.269 -35.504 1.00 31.22 O ATOM 696 OE2 GLU A 45 5.653 7.733 -33.663 1.00 35.42 O ATOM 0 H GLU A 45 1.939 5.153 -37.191 1.00 21.11 H new ATOM 0 HA GLU A 45 4.487 5.589 -36.159 1.00 32.33 H new ATOM 0 HB2 GLU A 45 2.421 6.982 -35.816 1.00 25.10 H new ATOM 0 HB3 GLU A 45 1.804 5.752 -34.730 1.00 25.10 H new ATOM 0 HG2 GLU A 45 2.770 7.503 -33.399 1.00 65.44 H new ATOM 0 HG3 GLU A 45 3.795 6.089 -33.258 1.00 65.44 H new ATOM 703 N THR A 46 2.811 3.208 -34.581 1.00 73.34 N ATOM 704 CA THR A 46 2.962 2.064 -33.693 1.00 14.20 C ATOM 705 C THR A 46 3.851 0.995 -34.320 1.00 20.44 C ATOM 706 O THR A 46 4.829 0.554 -33.715 1.00 51.10 O ATOM 707 CB THR A 46 1.598 1.439 -33.343 1.00 72.32 C ATOM 708 OG1 THR A 46 0.633 1.779 -34.345 1.00 61.33 O ATOM 709 CG2 THR A 46 1.115 1.921 -31.984 1.00 1.32 C ATOM 0 H THR A 46 1.861 3.352 -34.924 1.00 73.34 H new ATOM 0 HA THR A 46 3.429 2.433 -32.780 1.00 14.20 H new ATOM 0 HB THR A 46 1.718 0.356 -33.306 1.00 72.32 H new ATOM 0 HG1 THR A 46 1.035 1.681 -35.233 1.00 61.33 H new ATOM 0 HG21 THR A 46 0.150 1.466 -31.759 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.838 1.637 -31.219 1.00 1.32 H new ATOM 0 HG23 THR A 46 1.010 3.006 -31.999 1.00 1.32 H new ATOM 717 N LEU A 47 3.507 0.584 -35.535 1.00 41.05 N ATOM 718 CA LEU A 47 4.275 -0.434 -36.244 1.00 30.54 C ATOM 719 C LEU A 47 5.754 -0.066 -36.289 1.00 4.21 C ATOM 720 O LEU A 47 6.619 -0.893 -35.996 1.00 62.44 O ATOM 721 CB LEU A 47 3.737 -0.607 -37.665 1.00 40.43 C ATOM 722 CG LEU A 47 3.830 -2.016 -38.252 1.00 30.21 C ATOM 723 CD1 LEU A 47 5.284 -2.448 -38.373 1.00 72.53 C ATOM 724 CD2 LEU A 47 3.049 -3.002 -37.396 1.00 35.34 C ATOM 0 H LEU A 47 2.702 0.940 -36.050 1.00 41.05 H new ATOM 0 HA LEU A 47 4.170 -1.376 -35.705 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.691 -0.299 -37.676 1.00 40.43 H new ATOM 0 HB3 LEU A 47 4.277 0.075 -38.322 1.00 40.43 H new ATOM 0 HG LEU A 47 3.391 -2.004 -39.250 1.00 30.21 H new ATOM 0 HD11 LEU A 47 5.331 -3.453 -38.792 1.00 72.53 H new ATOM 0 HD12 LEU A 47 5.816 -1.757 -39.027 1.00 72.53 H new ATOM 0 HD13 LEU A 47 5.748 -2.444 -37.387 1.00 72.53 H new ATOM 0 HD21 LEU A 47 3.126 -4.000 -37.828 1.00 35.34 H new ATOM 0 HD22 LEU A 47 3.459 -3.011 -36.386 1.00 35.34 H new ATOM 0 HD23 LEU A 47 2.002 -2.702 -37.360 1.00 35.34 H new ATOM 736 N ASP A 48 6.038 1.179 -36.655 1.00 1.01 N ATOM 737 CA ASP A 48 7.413 1.658 -36.735 1.00 1.33 C ATOM 738 C ASP A 48 8.076 1.637 -35.361 1.00 4.12 C ATOM 739 O ASP A 48 9.233 1.238 -35.226 1.00 45.52 O ATOM 740 CB ASP A 48 7.450 3.073 -37.312 1.00 15.35 C ATOM 741 CG ASP A 48 8.800 3.421 -37.906 1.00 42.32 C ATOM 742 OD1 ASP A 48 9.770 3.566 -37.131 1.00 12.50 O ATOM 743 OD2 ASP A 48 8.889 3.548 -39.145 1.00 70.50 O ATOM 0 H ASP A 48 5.334 1.875 -36.901 1.00 1.01 H new ATOM 0 HA ASP A 48 7.967 0.991 -37.396 1.00 1.33 H new ATOM 0 HB2 ASP A 48 6.683 3.169 -38.080 1.00 15.35 H new ATOM 0 HB3 ASP A 48 7.206 3.789 -36.527 1.00 15.35 H new ATOM 748 N ARG A 49 7.336 2.071 -34.347 1.00 40.22 N ATOM 749 CA ARG A 49 7.854 2.105 -32.984 1.00 24.55 C ATOM 750 C ARG A 49 8.294 0.714 -32.535 1.00 53.00 C ATOM 751 O ARG A 49 9.338 0.556 -31.900 1.00 73.52 O ATOM 752 CB ARG A 49 6.792 2.649 -32.026 1.00 41.24 C ATOM 753 CG ARG A 49 6.658 4.162 -32.062 1.00 35.00 C ATOM 754 CD ARG A 49 7.670 4.832 -31.145 1.00 53.11 C ATOM 755 NE ARG A 49 7.167 4.969 -29.781 1.00 73.43 N ATOM 756 CZ ARG A 49 6.225 5.836 -29.428 1.00 12.33 C ATOM 757 NH1 ARG A 49 5.687 6.640 -30.335 1.00 1.45 N ATOM 758 NH2 ARG A 49 5.819 5.901 -28.166 1.00 21.11 N ATOM 0 H ARG A 49 6.377 2.404 -34.443 1.00 40.22 H new ATOM 0 HA ARG A 49 8.721 2.765 -32.968 1.00 24.55 H new ATOM 0 HB2 ARG A 49 5.829 2.201 -32.272 1.00 41.24 H new ATOM 0 HB3 ARG A 49 7.038 2.338 -31.010 1.00 41.24 H new ATOM 0 HG2 ARG A 49 6.799 4.517 -33.083 1.00 35.00 H new ATOM 0 HG3 ARG A 49 5.649 4.446 -31.762 1.00 35.00 H new ATOM 0 HD2 ARG A 49 8.591 4.249 -31.135 1.00 53.11 H new ATOM 0 HD3 ARG A 49 7.920 5.817 -31.540 1.00 53.11 H new ATOM 0 HE ARG A 49 7.561 4.365 -29.059 1.00 73.43 H new ATOM 0 HH11 ARG A 49 5.997 6.593 -31.306 1.00 1.45 H new ATOM 0 HH12 ARG A 49 4.964 7.305 -30.062 1.00 1.45 H new ATOM 0 HH21 ARG A 49 6.231 5.284 -27.465 1.00 21.11 H new ATOM 0 HH22 ARG A 49 5.095 6.568 -27.897 1.00 21.11 H new ATOM 772 N PHE A 50 7.491 -0.292 -32.868 1.00 52.05 N ATOM 773 CA PHE A 50 7.797 -1.669 -32.499 1.00 23.30 C ATOM 774 C PHE A 50 8.975 -2.201 -33.310 1.00 71.14 C ATOM 775 O PHE A 50 9.840 -2.902 -32.784 1.00 40.10 O ATOM 776 CB PHE A 50 6.572 -2.560 -32.711 1.00 63.44 C ATOM 777 CG PHE A 50 5.328 -2.036 -32.053 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.375 -1.514 -30.770 1.00 32.42 C ATOM 779 CD2 PHE A 50 4.112 -2.065 -32.717 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.231 -1.032 -30.162 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.966 -1.585 -32.113 1.00 41.31 C ATOM 782 CZ PHE A 50 3.026 -1.066 -30.834 1.00 24.45 C ATOM 0 H PHE A 50 6.624 -0.179 -33.393 1.00 52.05 H new ATOM 0 HA PHE A 50 8.070 -1.684 -31.444 1.00 23.30 H new ATOM 0 HB2 PHE A 50 6.391 -2.666 -33.781 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.786 -3.556 -32.324 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.315 -1.483 -30.240 1.00 32.42 H new ATOM 0 HD2 PHE A 50 4.060 -2.467 -33.718 1.00 14.32 H new ATOM 0 HE1 PHE A 50 4.280 -0.629 -29.161 1.00 14.22 H new ATOM 0 HE2 PHE A 50 2.024 -1.615 -32.640 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.132 -0.688 -30.361 1.00 24.45 H new ATOM 792 N LEU A 51 9.000 -1.863 -34.594 1.00 22.50 N ATOM 793 CA LEU A 51 10.071 -2.307 -35.481 1.00 0.23 C ATOM 794 C LEU A 51 11.408 -1.699 -35.067 1.00 53.31 C ATOM 795 O LEU A 51 12.462 -2.304 -35.258 1.00 22.12 O ATOM 796 CB LEU A 51 9.752 -1.929 -36.928 1.00 24.51 C ATOM 797 CG LEU A 51 10.248 -2.900 -38.001 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.766 -2.977 -37.990 1.00 70.24 C ATOM 799 CD2 LEU A 51 9.639 -4.279 -37.793 1.00 23.22 C ATOM 0 H LEU A 51 8.292 -1.283 -35.045 1.00 22.50 H new ATOM 0 HA LEU A 51 10.147 -3.392 -35.404 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.671 -1.831 -37.027 1.00 24.51 H new ATOM 0 HB3 LEU A 51 10.181 -0.947 -37.129 1.00 24.51 H new ATOM 0 HG LEU A 51 9.932 -2.529 -38.976 1.00 22.33 H new ATOM 0 HD11 LEU A 51 12.101 -3.672 -38.760 1.00 70.24 H new ATOM 0 HD12 LEU A 51 12.182 -1.989 -38.188 1.00 70.24 H new ATOM 0 HD13 LEU A 51 12.106 -3.325 -37.014 1.00 70.24 H new ATOM 0 HD21 LEU A 51 10.002 -4.957 -38.565 1.00 23.22 H new ATOM 0 HD22 LEU A 51 9.925 -4.659 -36.812 1.00 23.22 H new ATOM 0 HD23 LEU A 51 8.553 -4.210 -37.853 1.00 23.22 H new ATOM 811 N LYS A 52 11.356 -0.500 -34.499 1.00 72.22 N ATOM 812 CA LYS A 52 12.561 0.190 -34.055 1.00 13.04 C ATOM 813 C LYS A 52 13.092 -0.422 -32.761 1.00 1.22 C ATOM 814 O LYS A 52 14.273 -0.755 -32.660 1.00 22.51 O ATOM 815 CB LYS A 52 12.274 1.679 -33.846 1.00 14.41 C ATOM 816 CG LYS A 52 12.306 2.490 -35.130 1.00 64.25 C ATOM 817 CD LYS A 52 11.935 3.942 -34.882 1.00 12.02 C ATOM 818 CE LYS A 52 13.117 4.735 -34.345 1.00 32.31 C ATOM 819 NZ LYS A 52 12.936 6.200 -34.540 1.00 13.43 N ATOM 0 H LYS A 52 10.491 0.015 -34.335 1.00 72.22 H new ATOM 0 HA LYS A 52 13.320 0.078 -34.829 1.00 13.04 H new ATOM 0 HB2 LYS A 52 11.295 1.790 -33.380 1.00 14.41 H new ATOM 0 HB3 LYS A 52 13.006 2.087 -33.150 1.00 14.41 H new ATOM 0 HG2 LYS A 52 13.302 2.438 -35.569 1.00 64.25 H new ATOM 0 HG3 LYS A 52 11.616 2.056 -35.853 1.00 64.25 H new ATOM 0 HD2 LYS A 52 11.585 4.393 -35.810 1.00 12.02 H new ATOM 0 HD3 LYS A 52 11.109 3.992 -34.172 1.00 12.02 H new ATOM 0 HE2 LYS A 52 13.245 4.523 -33.283 1.00 32.31 H new ATOM 0 HE3 LYS A 52 14.029 4.412 -34.846 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 13.762 6.705 -34.161 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 12.840 6.406 -35.555 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 12.079 6.514 -34.040 1.00 13.43 H new ATOM 833 N THR A 53 12.212 -0.569 -31.777 1.00 24.20 N ATOM 834 CA THR A 53 12.592 -1.140 -30.490 1.00 34.52 C ATOM 835 C THR A 53 12.936 -2.620 -30.628 1.00 21.14 C ATOM 836 O THR A 53 13.792 -3.137 -29.909 1.00 72.44 O ATOM 837 CB THR A 53 11.468 -0.981 -29.450 1.00 24.53 C ATOM 838 OG1 THR A 53 10.864 0.312 -29.576 1.00 13.12 O ATOM 839 CG2 THR A 53 12.008 -1.159 -28.039 1.00 64.44 C ATOM 0 H THR A 53 11.230 -0.301 -31.846 1.00 24.20 H new ATOM 0 HA THR A 53 13.471 -0.594 -30.148 1.00 34.52 H new ATOM 0 HB THR A 53 10.719 -1.751 -29.635 1.00 24.53 H new ATOM 0 HG1 THR A 53 10.230 0.306 -30.324 1.00 13.12 H new ATOM 0 HG21 THR A 53 11.196 -1.042 -27.321 1.00 64.44 H new ATOM 0 HG22 THR A 53 12.441 -2.154 -27.938 1.00 64.44 H new ATOM 0 HG23 THR A 53 12.774 -0.408 -27.845 1.00 64.44 H new ATOM 847 N VAL A 54 12.265 -3.295 -31.553 1.00 5.34 N ATOM 848 CA VAL A 54 12.502 -4.716 -31.786 1.00 43.11 C ATOM 849 C VAL A 54 12.382 -5.058 -33.267 1.00 50.42 C ATOM 850 O VAL A 54 11.439 -4.655 -33.947 1.00 41.32 O ATOM 851 CB VAL A 54 11.515 -5.587 -30.986 1.00 32.21 C ATOM 852 CG1 VAL A 54 11.790 -7.063 -31.227 1.00 15.02 C ATOM 853 CG2 VAL A 54 11.593 -5.256 -29.503 1.00 51.22 C ATOM 0 H VAL A 54 11.552 -2.882 -32.155 1.00 5.34 H new ATOM 0 HA VAL A 54 13.517 -4.928 -31.450 1.00 43.11 H new ATOM 0 HB VAL A 54 10.504 -5.370 -31.330 1.00 32.21 H new ATOM 0 HG11 VAL A 54 11.083 -7.663 -30.654 1.00 15.02 H new ATOM 0 HG12 VAL A 54 11.678 -7.285 -32.288 1.00 15.02 H new ATOM 0 HG13 VAL A 54 12.806 -7.300 -30.912 1.00 15.02 H new ATOM 0 HG21 VAL A 54 10.889 -5.881 -28.953 1.00 51.22 H new ATOM 0 HG22 VAL A 54 12.604 -5.443 -29.141 1.00 51.22 H new ATOM 0 HG23 VAL A 54 11.342 -4.206 -29.351 1.00 51.22 H new ATOM 863 N PRO A 55 13.358 -5.822 -33.778 1.00 2.25 N ATOM 864 CA PRO A 55 13.384 -6.236 -35.184 1.00 2.03 C ATOM 865 C PRO A 55 12.289 -7.247 -35.510 1.00 74.41 C ATOM 866 O PRO A 55 11.900 -8.049 -34.661 1.00 51.24 O ATOM 867 CB PRO A 55 14.766 -6.876 -35.340 1.00 33.24 C ATOM 868 CG PRO A 55 15.129 -7.333 -33.969 1.00 34.23 C ATOM 869 CD PRO A 55 14.513 -6.338 -33.025 1.00 62.25 C ATOM 0 HA PRO A 55 13.209 -5.398 -35.859 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.739 -7.710 -36.041 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.493 -6.160 -35.724 1.00 33.24 H new ATOM 0 HG2 PRO A 55 14.750 -8.337 -33.779 1.00 34.23 H new ATOM 0 HG3 PRO A 55 16.211 -7.371 -33.844 1.00 34.23 H new ATOM 0 HD2 PRO A 55 14.206 -6.808 -32.091 1.00 62.25 H new ATOM 0 HD3 PRO A 55 15.212 -5.543 -32.767 1.00 62.25 H new ATOM 877 N TRP A 56 11.800 -7.203 -36.743 1.00 2.13 N ATOM 878 CA TRP A 56 10.750 -8.117 -37.181 1.00 72.32 C ATOM 879 C TRP A 56 11.133 -9.565 -36.895 1.00 33.30 C ATOM 880 O TRP A 56 10.310 -10.354 -36.435 1.00 54.31 O ATOM 881 CB TRP A 56 10.477 -7.934 -38.675 1.00 43.12 C ATOM 882 CG TRP A 56 11.713 -8.015 -39.519 1.00 71.25 C ATOM 883 CD1 TRP A 56 12.549 -6.987 -39.848 1.00 71.41 C ATOM 884 CD2 TRP A 56 12.249 -9.187 -40.143 1.00 63.01 C ATOM 885 NE1 TRP A 56 13.574 -7.449 -40.638 1.00 11.50 N ATOM 886 CE2 TRP A 56 13.413 -8.796 -40.833 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.861 -10.529 -40.183 1.00 64.22 C ATOM 888 CZ2 TRP A 56 14.188 -9.698 -41.555 1.00 2.44 C ATOM 889 CZ3 TRP A 56 12.632 -11.424 -40.901 1.00 44.31 C ATOM 890 CH2 TRP A 56 13.786 -11.006 -41.578 1.00 14.15 C ATOM 0 H TRP A 56 12.113 -6.545 -37.457 1.00 2.13 H new ATOM 0 HA TRP A 56 9.844 -7.884 -36.622 1.00 72.32 H new ATOM 0 HB2 TRP A 56 9.771 -8.696 -39.004 1.00 43.12 H new ATOM 0 HB3 TRP A 56 10.000 -6.967 -38.834 1.00 43.12 H new ATOM 0 HD1 TRP A 56 12.423 -5.961 -39.534 1.00 71.41 H new ATOM 0 HE1 TRP A 56 14.332 -6.882 -41.018 1.00 11.50 H new ATOM 0 HE3 TRP A 56 10.975 -10.861 -39.662 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 15.076 -9.377 -42.079 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 12.340 -12.463 -40.941 1.00 44.31 H new ATOM 0 HH2 TRP A 56 14.369 -11.730 -42.128 1.00 14.15 H new ATOM 901 N GLU A 57 12.388 -9.905 -37.171 1.00 24.51 N ATOM 902 CA GLU A 57 12.880 -11.259 -36.943 1.00 64.15 C ATOM 903 C GLU A 57 12.580 -11.713 -35.517 1.00 74.11 C ATOM 904 O GLU A 57 12.388 -12.902 -35.262 1.00 43.02 O ATOM 905 CB GLU A 57 14.385 -11.331 -37.207 1.00 44.32 C ATOM 906 CG GLU A 57 15.171 -10.205 -36.557 1.00 74.32 C ATOM 907 CD GLU A 57 16.647 -10.527 -36.421 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.988 -11.426 -35.625 1.00 73.32 O ATOM 909 OE2 GLU A 57 17.461 -9.878 -37.112 1.00 35.22 O ATOM 0 H GLU A 57 13.082 -9.262 -37.552 1.00 24.51 H new ATOM 0 HA GLU A 57 12.366 -11.926 -37.635 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.764 -12.285 -36.842 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.558 -11.310 -38.283 1.00 44.32 H new ATOM 0 HG2 GLU A 57 15.054 -9.297 -37.148 1.00 74.32 H new ATOM 0 HG3 GLU A 57 14.755 -9.999 -35.571 1.00 74.32 H new ATOM 916 N GLN A 58 12.542 -10.759 -34.594 1.00 73.33 N ATOM 917 CA GLN A 58 12.267 -11.061 -33.194 1.00 13.45 C ATOM 918 C GLN A 58 10.991 -10.368 -32.727 1.00 24.32 C ATOM 919 O GLN A 58 10.815 -10.104 -31.538 1.00 52.14 O ATOM 920 CB GLN A 58 13.445 -10.631 -32.317 1.00 52.31 C ATOM 921 CG GLN A 58 14.619 -11.595 -32.362 1.00 2.22 C ATOM 922 CD GLN A 58 15.478 -11.526 -31.113 1.00 73.04 C ATOM 923 OE1 GLN A 58 15.143 -12.111 -30.083 1.00 12.51 O ATOM 924 NE2 GLN A 58 16.593 -10.810 -31.200 1.00 11.14 N ATOM 0 H GLN A 58 12.698 -9.770 -34.790 1.00 73.33 H new ATOM 0 HA GLN A 58 12.128 -12.138 -33.102 1.00 13.45 H new ATOM 0 HB2 GLN A 58 13.783 -9.645 -32.635 1.00 52.31 H new ATOM 0 HB3 GLN A 58 13.104 -10.534 -31.286 1.00 52.31 H new ATOM 0 HG2 GLN A 58 14.245 -12.611 -32.486 1.00 2.22 H new ATOM 0 HG3 GLN A 58 15.234 -11.373 -33.234 1.00 2.22 H new ATOM 0 HE21 GLN A 58 16.831 -10.342 -32.074 1.00 11.14 H new ATOM 0 HE22 GLN A 58 17.211 -10.728 -30.393 1.00 11.14 H new ATOM 933 N LEU A 59 10.104 -10.075 -33.672 1.00 41.15 N ATOM 934 CA LEU A 59 8.843 -9.412 -33.358 1.00 23.12 C ATOM 935 C LEU A 59 7.663 -10.176 -33.953 1.00 51.11 C ATOM 936 O LEU A 59 6.522 -9.717 -33.898 1.00 4.12 O ATOM 937 CB LEU A 59 8.854 -7.977 -33.887 1.00 20.44 C ATOM 938 CG LEU A 59 7.829 -7.025 -33.266 1.00 33.41 C ATOM 939 CD1 LEU A 59 8.089 -6.860 -31.778 1.00 5.54 C ATOM 940 CD2 LEU A 59 7.861 -5.676 -33.969 1.00 61.44 C ATOM 0 H LEU A 59 10.235 -10.286 -34.661 1.00 41.15 H new ATOM 0 HA LEU A 59 8.731 -9.393 -32.274 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.849 -7.561 -33.730 1.00 20.44 H new ATOM 0 HB3 LEU A 59 8.687 -8.007 -34.964 1.00 20.44 H new ATOM 0 HG LEU A 59 6.836 -7.455 -33.394 1.00 33.41 H new ATOM 0 HD11 LEU A 59 7.351 -6.180 -31.353 1.00 5.54 H new ATOM 0 HD12 LEU A 59 8.015 -7.830 -31.286 1.00 5.54 H new ATOM 0 HD13 LEU A 59 9.088 -6.452 -31.626 1.00 5.54 H new ATOM 0 HD21 LEU A 59 7.126 -5.011 -33.515 1.00 61.44 H new ATOM 0 HD22 LEU A 59 8.855 -5.239 -33.872 1.00 61.44 H new ATOM 0 HD23 LEU A 59 7.625 -5.810 -35.025 1.00 61.44 H new ATOM 952 N LEU A 60 7.946 -11.345 -34.517 1.00 55.45 N ATOM 953 CA LEU A 60 6.909 -12.174 -35.121 1.00 62.31 C ATOM 954 C LEU A 60 7.273 -13.652 -35.029 1.00 44.10 C ATOM 955 O LEU A 60 8.447 -14.016 -35.058 1.00 61.30 O ATOM 956 CB LEU A 60 6.697 -11.778 -36.583 1.00 44.32 C ATOM 957 CG LEU A 60 7.699 -12.353 -37.585 1.00 11.04 C ATOM 958 CD1 LEU A 60 7.035 -13.405 -38.459 1.00 41.24 C ATOM 959 CD2 LEU A 60 8.294 -11.243 -38.440 1.00 71.44 C ATOM 0 H LEU A 60 8.885 -11.740 -34.569 1.00 55.45 H new ATOM 0 HA LEU A 60 5.982 -12.012 -34.571 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.696 -12.089 -36.881 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.727 -10.691 -36.652 1.00 44.32 H new ATOM 0 HG LEU A 60 8.507 -12.829 -37.030 1.00 11.04 H new ATOM 0 HD11 LEU A 60 7.763 -13.803 -39.166 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.658 -14.213 -37.832 1.00 41.24 H new ATOM 0 HD13 LEU A 60 6.207 -12.954 -39.006 1.00 41.24 H new ATOM 0 HD21 LEU A 60 9.005 -11.670 -39.147 1.00 71.44 H new ATOM 0 HD22 LEU A 60 7.497 -10.738 -38.986 1.00 71.44 H new ATOM 0 HD23 LEU A 60 8.806 -10.525 -37.799 1.00 71.44 H new ATOM 971 N ASN A 61 6.255 -14.501 -34.920 1.00 14.22 N ATOM 972 CA ASN A 61 6.468 -15.941 -34.826 1.00 33.24 C ATOM 973 C ASN A 61 7.356 -16.435 -35.964 1.00 54.15 C ATOM 974 O ASN A 61 7.268 -15.948 -37.092 1.00 1.23 O ATOM 975 CB ASN A 61 5.127 -16.678 -34.854 1.00 52.35 C ATOM 976 CG ASN A 61 4.155 -16.073 -35.848 1.00 2.34 C ATOM 977 OD1 ASN A 61 4.497 -16.146 -37.130 1.00 42.20 O flip ATOM 978 ND2 ASN A 61 3.109 -15.546 -35.468 1.00 71.33 N flip ATOM 0 H ASN A 61 5.276 -14.217 -34.895 1.00 14.22 H new ATOM 0 HA ASN A 61 6.970 -16.148 -33.881 1.00 33.24 H new ATOM 0 HB2 ASN A 61 5.296 -17.725 -35.107 1.00 52.35 H new ATOM 0 HB3 ASN A 61 4.684 -16.658 -33.858 1.00 52.35 H new ATOM 0 HD21 ASN A 61 2.887 -15.513 -34.473 1.00 71.33 H new ATOM 0 HD22 ASN A 61 2.465 -15.143 -36.148 1.00 71.33 H new ATOM 985 N ARG A 62 8.212 -17.406 -35.661 1.00 14.43 N ATOM 986 CA ARG A 62 9.117 -17.966 -36.657 1.00 62.32 C ATOM 987 C ARG A 62 8.784 -19.429 -36.934 1.00 71.20 C ATOM 988 O ARG A 62 8.663 -19.841 -38.086 1.00 73.11 O ATOM 989 CB ARG A 62 10.568 -17.841 -36.187 1.00 1.22 C ATOM 990 CG ARG A 62 11.152 -16.451 -36.375 1.00 71.45 C ATOM 991 CD ARG A 62 10.969 -15.597 -35.129 1.00 72.42 C ATOM 992 NE ARG A 62 12.144 -15.632 -34.265 1.00 15.00 N ATOM 993 CZ ARG A 62 12.161 -15.149 -33.027 1.00 45.11 C ATOM 994 NH1 ARG A 62 11.071 -14.599 -32.512 1.00 32.15 N ATOM 995 NH2 ARG A 62 13.270 -15.218 -32.301 1.00 4.03 N ATOM 0 H ARG A 62 8.297 -17.821 -34.733 1.00 14.43 H new ATOM 0 HA ARG A 62 8.992 -17.402 -37.582 1.00 62.32 H new ATOM 0 HB2 ARG A 62 10.624 -18.109 -35.132 1.00 1.22 H new ATOM 0 HB3 ARG A 62 11.180 -18.560 -36.731 1.00 1.22 H new ATOM 0 HG2 ARG A 62 12.213 -16.530 -36.611 1.00 71.45 H new ATOM 0 HG3 ARG A 62 10.672 -15.965 -37.224 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.765 -14.567 -35.422 1.00 72.42 H new ATOM 0 HD3 ARG A 62 10.100 -15.948 -34.573 1.00 72.42 H new ATOM 0 HE ARG A 62 12.999 -16.050 -34.631 1.00 15.00 H new ATOM 0 HH11 ARG A 62 10.216 -14.546 -33.066 1.00 32.15 H new ATOM 0 HH12 ARG A 62 11.087 -14.229 -31.562 1.00 32.15 H new ATOM 0 HH21 ARG A 62 14.111 -15.642 -32.693 1.00 4.03 H new ATOM 0 HH22 ARG A 62 13.282 -14.847 -31.351 1.00 4.03 H new ATOM 1009 N ALA A 63 8.637 -20.208 -35.867 1.00 13.41 N ATOM 1010 CA ALA A 63 8.317 -21.624 -35.994 1.00 11.25 C ATOM 1011 C ALA A 63 6.845 -21.884 -35.688 1.00 40.23 C ATOM 1012 O ALA A 63 6.481 -22.959 -35.214 1.00 15.22 O ATOM 1013 CB ALA A 63 9.204 -22.450 -35.074 1.00 4.01 C ATOM 0 H ALA A 63 8.734 -19.882 -34.905 1.00 13.41 H new ATOM 0 HA ALA A 63 8.505 -21.923 -37.025 1.00 11.25 H new ATOM 0 HB1 ALA A 63 8.954 -23.506 -35.179 1.00 4.01 H new ATOM 0 HB2 ALA A 63 10.249 -22.296 -35.342 1.00 4.01 H new ATOM 0 HB3 ALA A 63 9.045 -22.141 -34.041 1.00 4.01 H new ATOM 1019 N GLY A 64 6.005 -20.891 -35.960 1.00 15.42 N ATOM 1020 CA GLY A 64 4.583 -21.032 -35.705 1.00 64.14 C ATOM 1021 C GLY A 64 3.786 -21.256 -36.975 1.00 10.02 C ATOM 1022 O GLY A 64 4.244 -20.929 -38.071 1.00 62.15 O ATOM 0 H GLY A 64 6.283 -19.991 -36.352 1.00 15.42 H new ATOM 0 HA2 GLY A 64 4.420 -21.868 -35.025 1.00 64.14 H new ATOM 0 HA3 GLY A 64 4.216 -20.137 -35.203 1.00 64.14 H new ATOM 1026 N THR A 65 2.590 -21.818 -36.831 1.00 32.42 N ATOM 1027 CA THR A 65 1.730 -22.090 -37.974 1.00 14.14 C ATOM 1028 C THR A 65 1.539 -20.840 -38.826 1.00 2.22 C ATOM 1029 O THR A 65 1.499 -20.913 -40.056 1.00 74.54 O ATOM 1030 CB THR A 65 0.349 -22.608 -37.528 1.00 43.52 C ATOM 1031 OG1 THR A 65 -0.387 -21.558 -36.892 1.00 71.44 O ATOM 1032 CG2 THR A 65 0.495 -23.784 -36.573 1.00 24.43 C ATOM 0 H THR A 65 2.195 -22.094 -35.932 1.00 32.42 H new ATOM 0 HA THR A 65 2.225 -22.860 -38.566 1.00 14.14 H new ATOM 0 HB THR A 65 -0.192 -22.944 -38.413 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.264 -21.895 -36.613 1.00 71.44 H new ATOM 0 HG21 THR A 65 -0.493 -24.133 -36.272 1.00 24.43 H new ATOM 0 HG22 THR A 65 1.029 -24.593 -37.071 1.00 24.43 H new ATOM 0 HG23 THR A 65 1.053 -23.470 -35.691 1.00 24.43 H new ATOM 1040 N THR A 66 1.421 -19.692 -38.167 1.00 75.01 N ATOM 1041 CA THR A 66 1.234 -18.425 -38.865 1.00 24.34 C ATOM 1042 C THR A 66 2.315 -18.213 -39.919 1.00 70.12 C ATOM 1043 O THR A 66 2.023 -17.838 -41.055 1.00 31.44 O ATOM 1044 CB THR A 66 1.246 -17.237 -37.886 1.00 53.23 C ATOM 1045 OG1 THR A 66 1.006 -17.700 -36.551 1.00 11.42 O ATOM 1046 CG2 THR A 66 0.193 -16.208 -38.269 1.00 2.54 C ATOM 0 H THR A 66 1.452 -19.613 -37.151 1.00 75.01 H new ATOM 0 HA THR A 66 0.260 -18.474 -39.353 1.00 24.34 H new ATOM 0 HB THR A 66 2.227 -16.764 -37.935 1.00 53.23 H new ATOM 0 HG1 THR A 66 1.017 -16.939 -35.934 1.00 11.42 H new ATOM 0 HG21 THR A 66 0.221 -15.378 -37.563 1.00 2.54 H new ATOM 0 HG22 THR A 66 0.396 -15.836 -39.273 1.00 2.54 H new ATOM 0 HG23 THR A 66 -0.794 -16.671 -38.246 1.00 2.54 H new ATOM 1054 N PHE A 67 3.564 -18.454 -39.534 1.00 31.33 N ATOM 1055 CA PHE A 67 4.690 -18.289 -40.446 1.00 51.22 C ATOM 1056 C PHE A 67 4.689 -19.378 -41.515 1.00 2.20 C ATOM 1057 O PHE A 67 5.061 -19.137 -42.663 1.00 62.22 O ATOM 1058 CB PHE A 67 6.009 -18.319 -39.672 1.00 14.00 C ATOM 1059 CG PHE A 67 7.218 -18.120 -40.541 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.786 -19.188 -41.216 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.787 -16.864 -40.682 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.899 -19.007 -42.016 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.900 -16.677 -41.480 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.456 -17.750 -42.149 1.00 75.02 C ATOM 0 H PHE A 67 3.822 -18.764 -38.597 1.00 31.33 H new ATOM 0 HA PHE A 67 4.588 -17.322 -40.938 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.990 -17.543 -38.907 1.00 14.00 H new ATOM 0 HB3 PHE A 67 6.096 -19.275 -39.155 1.00 14.00 H new ATOM 0 HD1 PHE A 67 7.355 -20.173 -41.116 1.00 12.13 H new ATOM 0 HD2 PHE A 67 7.356 -16.021 -40.162 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.333 -19.848 -42.537 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.334 -15.693 -41.580 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.324 -17.606 -42.775 1.00 75.02 H new ATOM 1074 N ARG A 68 4.268 -20.578 -41.128 1.00 35.20 N ATOM 1075 CA ARG A 68 4.220 -21.705 -42.051 1.00 13.24 C ATOM 1076 C ARG A 68 3.035 -21.577 -43.004 1.00 42.44 C ATOM 1077 O ARG A 68 2.884 -22.370 -43.934 1.00 51.04 O ATOM 1078 CB ARG A 68 4.125 -23.021 -41.278 1.00 65.20 C ATOM 1079 CG ARG A 68 5.478 -23.617 -40.922 1.00 50.00 C ATOM 1080 CD ARG A 68 5.400 -25.129 -40.778 1.00 44.21 C ATOM 1081 NE ARG A 68 5.036 -25.781 -42.033 1.00 1.04 N ATOM 1082 CZ ARG A 68 5.858 -25.886 -43.072 1.00 43.45 C ATOM 1083 NH1 ARG A 68 7.084 -25.386 -43.005 1.00 73.52 N ATOM 1084 NH2 ARG A 68 5.454 -26.494 -44.179 1.00 33.20 N ATOM 0 H ARG A 68 3.955 -20.794 -40.182 1.00 35.20 H new ATOM 0 HA ARG A 68 5.139 -21.701 -42.637 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.558 -22.854 -40.362 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.565 -23.742 -41.873 1.00 65.20 H new ATOM 0 HG2 ARG A 68 6.204 -23.361 -41.694 1.00 50.00 H new ATOM 0 HG3 ARG A 68 5.836 -23.180 -39.990 1.00 50.00 H new ATOM 0 HD2 ARG A 68 6.362 -25.511 -40.437 1.00 44.21 H new ATOM 0 HD3 ARG A 68 4.667 -25.383 -40.012 1.00 44.21 H new ATOM 0 HE ARG A 68 4.100 -26.177 -42.117 1.00 1.04 H new ATOM 0 HH11 ARG A 68 7.399 -24.919 -42.154 1.00 73.52 H new ATOM 0 HH12 ARG A 68 7.713 -25.468 -43.804 1.00 73.52 H new ATOM 0 HH21 ARG A 68 4.512 -26.881 -44.233 1.00 33.20 H new ATOM 0 HH22 ARG A 68 6.085 -26.574 -44.976 1.00 33.20 H new ATOM 1098 N LYS A 69 2.197 -20.574 -42.766 1.00 73.43 N ATOM 1099 CA LYS A 69 1.026 -20.340 -43.603 1.00 73.42 C ATOM 1100 C LYS A 69 1.435 -20.062 -45.046 1.00 41.12 C ATOM 1101 O LYS A 69 0.779 -20.513 -45.986 1.00 52.53 O ATOM 1102 CB LYS A 69 0.210 -19.165 -43.058 1.00 31.13 C ATOM 1103 CG LYS A 69 -1.273 -19.255 -43.375 1.00 71.24 C ATOM 1104 CD LYS A 69 -1.592 -18.641 -44.727 1.00 50.32 C ATOM 1105 CE LYS A 69 -2.923 -19.141 -45.267 1.00 72.15 C ATOM 1106 NZ LYS A 69 -4.076 -18.514 -44.563 1.00 71.33 N ATOM 0 H LYS A 69 2.307 -19.910 -42.000 1.00 73.43 H new ATOM 0 HA LYS A 69 0.412 -21.241 -43.585 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.339 -19.114 -41.977 1.00 31.13 H new ATOM 0 HB3 LYS A 69 0.605 -18.237 -43.470 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -1.585 -20.299 -43.366 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -1.844 -18.745 -42.599 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -1.620 -17.555 -44.637 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -0.798 -18.882 -45.434 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -2.987 -18.925 -46.333 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -2.976 -20.224 -45.158 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -4.965 -18.880 -44.959 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -4.029 -18.741 -43.549 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -4.040 -17.482 -44.688 1.00 71.33 H new ATOM 1120 N LEU A 70 2.522 -19.318 -45.215 1.00 1.50 N ATOM 1121 CA LEU A 70 3.020 -18.981 -46.544 1.00 30.25 C ATOM 1122 C LEU A 70 4.069 -19.988 -47.004 1.00 52.51 C ATOM 1123 O LEU A 70 4.687 -20.688 -46.201 1.00 53.44 O ATOM 1124 CB LEU A 70 3.613 -17.571 -46.545 1.00 30.13 C ATOM 1125 CG LEU A 70 2.617 -16.423 -46.713 1.00 75.04 C ATOM 1126 CD1 LEU A 70 1.939 -16.498 -48.072 1.00 23.34 C ATOM 1127 CD2 LEU A 70 1.583 -16.448 -45.597 1.00 52.00 C ATOM 0 H LEU A 70 3.076 -18.936 -44.448 1.00 1.50 H new ATOM 0 HA LEU A 70 2.181 -19.016 -47.239 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.151 -17.424 -45.608 1.00 30.13 H new ATOM 0 HB3 LEU A 70 4.348 -17.508 -47.348 1.00 30.13 H new ATOM 0 HG LEU A 70 3.164 -15.482 -46.655 1.00 75.04 H new ATOM 0 HD11 LEU A 70 1.234 -15.673 -48.173 1.00 23.34 H new ATOM 0 HD12 LEU A 70 2.691 -16.431 -48.858 1.00 23.34 H new ATOM 0 HD13 LEU A 70 1.405 -17.444 -48.161 1.00 23.34 H new ATOM 0 HD21 LEU A 70 0.882 -15.624 -45.732 1.00 52.00 H new ATOM 0 HD22 LEU A 70 1.041 -17.394 -45.624 1.00 52.00 H new ATOM 0 HD23 LEU A 70 2.084 -16.344 -44.634 1.00 52.00 H new ATOM 1139 N PRO A 71 4.278 -20.061 -48.327 1.00 40.12 N ATOM 1140 CA PRO A 71 5.255 -20.977 -48.924 1.00 21.41 C ATOM 1141 C PRO A 71 6.693 -20.570 -48.620 1.00 4.43 C ATOM 1142 O PRO A 71 6.933 -19.599 -47.902 1.00 61.04 O ATOM 1143 CB PRO A 71 4.974 -20.867 -50.425 1.00 10.33 C ATOM 1144 CG PRO A 71 4.362 -19.520 -50.598 1.00 64.15 C ATOM 1145 CD PRO A 71 3.578 -19.257 -49.342 1.00 72.42 C ATOM 0 HA PRO A 71 5.157 -21.989 -48.531 1.00 21.41 H new ATOM 0 HB2 PRO A 71 5.890 -20.963 -51.007 1.00 10.33 H new ATOM 0 HB3 PRO A 71 4.299 -21.655 -50.760 1.00 10.33 H new ATOM 0 HG2 PRO A 71 5.128 -18.759 -50.746 1.00 64.15 H new ATOM 0 HG3 PRO A 71 3.715 -19.495 -51.475 1.00 64.15 H new ATOM 0 HD2 PRO A 71 3.576 -18.198 -49.084 1.00 72.42 H new ATOM 0 HD3 PRO A 71 2.537 -19.561 -49.447 1.00 72.42 H new ATOM 1153 N GLU A 72 7.644 -21.317 -49.172 1.00 64.42 N ATOM 1154 CA GLU A 72 9.058 -21.032 -48.959 1.00 2.33 C ATOM 1155 C GLU A 72 9.477 -19.767 -49.705 1.00 32.21 C ATOM 1156 O GLU A 72 10.302 -18.992 -49.220 1.00 64.11 O ATOM 1157 CB GLU A 72 9.914 -22.214 -49.417 1.00 3.30 C ATOM 1158 CG GLU A 72 9.609 -22.675 -50.832 1.00 14.02 C ATOM 1159 CD GLU A 72 9.299 -24.156 -50.909 1.00 23.34 C ATOM 1160 OE1 GLU A 72 10.250 -24.965 -50.868 1.00 2.14 O ATOM 1161 OE2 GLU A 72 8.105 -24.508 -51.012 1.00 4.25 O ATOM 0 H GLU A 72 7.461 -22.123 -49.769 1.00 64.42 H new ATOM 0 HA GLU A 72 9.213 -20.872 -47.892 1.00 2.33 H new ATOM 0 HB2 GLU A 72 10.966 -21.936 -49.353 1.00 3.30 H new ATOM 0 HB3 GLU A 72 9.763 -23.048 -48.732 1.00 3.30 H new ATOM 0 HG2 GLU A 72 8.761 -22.110 -51.219 1.00 14.02 H new ATOM 0 HG3 GLU A 72 10.461 -22.452 -51.474 1.00 14.02 H new ATOM 1168 N ASP A 73 8.903 -19.567 -50.885 1.00 54.44 N ATOM 1169 CA ASP A 73 9.215 -18.398 -51.699 1.00 22.54 C ATOM 1170 C ASP A 73 8.775 -17.116 -50.999 1.00 73.43 C ATOM 1171 O ASP A 73 9.557 -16.178 -50.848 1.00 20.35 O ATOM 1172 CB ASP A 73 8.539 -18.506 -53.066 1.00 11.40 C ATOM 1173 CG ASP A 73 9.327 -17.810 -54.158 1.00 35.22 C ATOM 1174 OD1 ASP A 73 10.571 -17.919 -54.155 1.00 60.34 O ATOM 1175 OD2 ASP A 73 8.699 -17.156 -55.018 1.00 64.21 O ATOM 0 H ASP A 73 8.219 -20.199 -51.300 1.00 54.44 H new ATOM 0 HA ASP A 73 10.295 -18.362 -51.840 1.00 22.54 H new ATOM 0 HB2 ASP A 73 8.416 -19.558 -53.325 1.00 11.40 H new ATOM 0 HB3 ASP A 73 7.541 -18.072 -53.010 1.00 11.40 H new ATOM 1180 N VAL A 74 7.515 -17.083 -50.575 1.00 22.21 N ATOM 1181 CA VAL A 74 6.970 -15.916 -49.892 1.00 51.24 C ATOM 1182 C VAL A 74 7.715 -15.643 -48.590 1.00 71.30 C ATOM 1183 O VAL A 74 7.918 -14.490 -48.208 1.00 64.14 O ATOM 1184 CB VAL A 74 5.472 -16.095 -49.584 1.00 4.32 C ATOM 1185 CG1 VAL A 74 4.954 -14.932 -48.752 1.00 2.42 C ATOM 1186 CG2 VAL A 74 4.676 -16.234 -50.874 1.00 20.32 C ATOM 0 H VAL A 74 6.854 -17.850 -50.693 1.00 22.21 H new ATOM 0 HA VAL A 74 7.097 -15.068 -50.565 1.00 51.24 H new ATOM 0 HB VAL A 74 5.345 -17.009 -49.004 1.00 4.32 H new ATOM 0 HG11 VAL A 74 3.894 -15.077 -48.545 1.00 2.42 H new ATOM 0 HG12 VAL A 74 5.504 -14.883 -47.812 1.00 2.42 H new ATOM 0 HG13 VAL A 74 5.092 -14.001 -49.302 1.00 2.42 H new ATOM 0 HG21 VAL A 74 3.619 -16.360 -50.638 1.00 20.32 H new ATOM 0 HG22 VAL A 74 4.808 -15.339 -51.481 1.00 20.32 H new ATOM 0 HG23 VAL A 74 5.030 -17.103 -51.428 1.00 20.32 H new ATOM 1196 N ARG A 75 8.121 -16.712 -47.912 1.00 32.22 N ATOM 1197 CA ARG A 75 8.844 -16.588 -46.652 1.00 2.22 C ATOM 1198 C ARG A 75 10.307 -16.226 -46.897 1.00 43.01 C ATOM 1199 O ARG A 75 10.975 -15.676 -46.022 1.00 52.32 O ATOM 1200 CB ARG A 75 8.758 -17.893 -45.859 1.00 70.20 C ATOM 1201 CG ARG A 75 7.387 -18.147 -45.252 1.00 33.21 C ATOM 1202 CD ARG A 75 7.008 -17.060 -44.258 1.00 64.25 C ATOM 1203 NE ARG A 75 6.129 -16.057 -44.852 1.00 60.01 N ATOM 1204 CZ ARG A 75 5.632 -15.025 -44.179 1.00 52.41 C ATOM 1205 NH1 ARG A 75 5.927 -14.860 -42.897 1.00 43.22 N ATOM 1206 NH2 ARG A 75 4.838 -14.154 -44.789 1.00 22.23 N ATOM 0 H ARG A 75 7.962 -17.673 -48.214 1.00 32.22 H new ATOM 0 HA ARG A 75 8.381 -15.788 -46.074 1.00 2.22 H new ATOM 0 HB2 ARG A 75 9.016 -18.725 -46.515 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.501 -17.874 -45.062 1.00 70.20 H new ATOM 0 HG2 ARG A 75 6.640 -18.194 -46.044 1.00 33.21 H new ATOM 0 HG3 ARG A 75 7.383 -19.116 -44.753 1.00 33.21 H new ATOM 0 HD2 ARG A 75 6.513 -17.512 -43.398 1.00 64.25 H new ATOM 0 HD3 ARG A 75 7.912 -16.576 -43.888 1.00 64.25 H new ATOM 0 HE ARG A 75 5.883 -16.154 -45.837 1.00 60.01 H new ATOM 0 HH11 ARG A 75 6.537 -15.527 -42.424 1.00 43.22 H new ATOM 0 HH12 ARG A 75 5.544 -14.066 -42.383 1.00 43.22 H new ATOM 0 HH21 ARG A 75 4.609 -14.277 -45.775 1.00 22.23 H new ATOM 0 HH22 ARG A 75 4.457 -13.362 -44.271 1.00 22.23 H new ATOM 1220 N SER A 76 10.796 -16.539 -48.093 1.00 13.42 N ATOM 1221 CA SER A 76 12.179 -16.250 -48.452 1.00 72.25 C ATOM 1222 C SER A 76 12.303 -14.858 -49.064 1.00 24.11 C ATOM 1223 O SER A 76 13.374 -14.253 -49.047 1.00 72.30 O ATOM 1224 CB SER A 76 12.702 -17.299 -49.434 1.00 52.34 C ATOM 1225 OG SER A 76 14.031 -17.008 -49.832 1.00 11.12 O ATOM 0 H SER A 76 10.255 -16.993 -48.829 1.00 13.42 H new ATOM 0 HA SER A 76 12.779 -16.282 -47.542 1.00 72.25 H new ATOM 0 HB2 SER A 76 12.665 -18.285 -48.971 1.00 52.34 H new ATOM 0 HB3 SER A 76 12.056 -17.335 -50.311 1.00 52.34 H new ATOM 0 HG SER A 76 14.343 -17.694 -50.458 1.00 11.12 H new ATOM 1231 N ASN A 77 11.197 -14.356 -49.604 1.00 61.11 N ATOM 1232 CA ASN A 77 11.181 -13.035 -50.222 1.00 63.22 C ATOM 1233 C ASN A 77 10.695 -11.978 -49.235 1.00 4.51 C ATOM 1234 O ASN A 77 10.177 -10.934 -49.631 1.00 30.21 O ATOM 1235 CB ASN A 77 10.284 -13.040 -51.462 1.00 34.15 C ATOM 1236 CG ASN A 77 10.842 -13.907 -52.574 1.00 2.31 C ATOM 1237 OD1 ASN A 77 12.035 -13.863 -52.872 1.00 62.33 O ATOM 1238 ND2 ASN A 77 9.977 -14.701 -53.195 1.00 63.33 N ATOM 0 H ASN A 77 10.301 -14.843 -49.626 1.00 61.11 H new ATOM 0 HA ASN A 77 12.200 -12.788 -50.519 1.00 63.22 H new ATOM 0 HB2 ASN A 77 9.292 -13.399 -51.188 1.00 34.15 H new ATOM 0 HB3 ASN A 77 10.165 -12.019 -51.825 1.00 34.15 H new ATOM 0 HD21 ASN A 77 10.293 -15.307 -53.952 1.00 63.33 H new ATOM 0 HD22 ASN A 77 8.996 -14.705 -52.915 1.00 63.33 H new ATOM 1245 N VAL A 78 10.867 -12.256 -47.946 1.00 54.35 N ATOM 1246 CA VAL A 78 10.448 -11.329 -46.901 1.00 25.14 C ATOM 1247 C VAL A 78 11.556 -10.335 -46.572 1.00 53.34 C ATOM 1248 O VAL A 78 12.717 -10.712 -46.415 1.00 13.31 O ATOM 1249 CB VAL A 78 10.047 -12.077 -45.615 1.00 24.53 C ATOM 1250 CG1 VAL A 78 9.651 -11.092 -44.527 1.00 61.22 C ATOM 1251 CG2 VAL A 78 8.916 -13.054 -45.899 1.00 61.01 C ATOM 0 H VAL A 78 11.294 -13.116 -47.601 1.00 54.35 H new ATOM 0 HA VAL A 78 9.582 -10.790 -47.285 1.00 25.14 H new ATOM 0 HB VAL A 78 10.907 -12.645 -45.261 1.00 24.53 H new ATOM 0 HG11 VAL A 78 9.371 -11.638 -43.626 1.00 61.22 H new ATOM 0 HG12 VAL A 78 10.493 -10.436 -44.306 1.00 61.22 H new ATOM 0 HG13 VAL A 78 8.805 -10.495 -44.867 1.00 61.22 H new ATOM 0 HG21 VAL A 78 8.645 -13.574 -44.980 1.00 61.01 H new ATOM 0 HG22 VAL A 78 8.051 -12.509 -46.276 1.00 61.01 H new ATOM 0 HG23 VAL A 78 9.241 -13.780 -46.644 1.00 61.01 H new ATOM 1261 N ASP A 79 11.189 -9.062 -46.470 1.00 75.02 N ATOM 1262 CA ASP A 79 12.152 -8.011 -46.158 1.00 32.13 C ATOM 1263 C ASP A 79 11.590 -7.052 -45.114 1.00 22.35 C ATOM 1264 O ASP A 79 10.493 -7.256 -44.596 1.00 11.20 O ATOM 1265 CB ASP A 79 12.528 -7.243 -47.426 1.00 14.11 C ATOM 1266 CG ASP A 79 13.017 -8.155 -48.532 1.00 70.21 C ATOM 1267 OD1 ASP A 79 13.969 -8.928 -48.289 1.00 12.03 O ATOM 1268 OD2 ASP A 79 12.450 -8.098 -49.643 1.00 63.45 O ATOM 0 H ASP A 79 10.232 -8.733 -46.599 1.00 75.02 H new ATOM 0 HA ASP A 79 13.046 -8.480 -45.749 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.662 -6.682 -47.778 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.304 -6.515 -47.190 1.00 14.11 H new ATOM 1273 N ALA A 80 12.350 -6.006 -44.810 1.00 44.44 N ATOM 1274 CA ALA A 80 11.928 -5.014 -43.828 1.00 1.03 C ATOM 1275 C ALA A 80 10.634 -4.332 -44.259 1.00 60.14 C ATOM 1276 O ALA A 80 9.628 -4.382 -43.552 1.00 3.35 O ATOM 1277 CB ALA A 80 13.025 -3.982 -43.613 1.00 43.13 C ATOM 0 H ALA A 80 13.262 -5.823 -45.229 1.00 44.44 H new ATOM 0 HA ALA A 80 11.741 -5.529 -42.886 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.695 -3.248 -42.877 1.00 43.13 H new ATOM 0 HB2 ALA A 80 13.926 -4.478 -43.252 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.241 -3.479 -44.556 1.00 43.13 H new ATOM 1283 N ALA A 81 10.668 -3.692 -45.424 1.00 21.32 N ATOM 1284 CA ALA A 81 9.497 -3.000 -45.950 1.00 55.31 C ATOM 1285 C ALA A 81 8.277 -3.915 -45.959 1.00 31.04 C ATOM 1286 O ALA A 81 7.255 -3.608 -45.347 1.00 33.41 O ATOM 1287 CB ALA A 81 9.779 -2.478 -47.351 1.00 13.35 C ATOM 0 H ALA A 81 11.493 -3.638 -46.021 1.00 21.32 H new ATOM 0 HA ALA A 81 9.280 -2.155 -45.296 1.00 55.31 H new ATOM 0 HB1 ALA A 81 8.897 -1.964 -47.732 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.618 -1.783 -47.318 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.024 -3.313 -48.008 1.00 13.35 H new ATOM 1293 N SER A 82 8.392 -5.040 -46.659 1.00 54.12 N ATOM 1294 CA SER A 82 7.296 -5.997 -46.751 1.00 14.13 C ATOM 1295 C SER A 82 6.806 -6.398 -45.363 1.00 30.51 C ATOM 1296 O SER A 82 5.612 -6.331 -45.071 1.00 1.33 O ATOM 1297 CB SER A 82 7.740 -7.238 -47.526 1.00 73.02 C ATOM 1298 OG SER A 82 8.572 -6.888 -48.619 1.00 11.21 O ATOM 0 H SER A 82 9.232 -5.310 -47.170 1.00 54.12 H new ATOM 0 HA SER A 82 6.473 -5.520 -47.283 1.00 14.13 H new ATOM 0 HB2 SER A 82 8.276 -7.914 -46.860 1.00 73.02 H new ATOM 0 HB3 SER A 82 6.864 -7.776 -47.889 1.00 73.02 H new ATOM 0 HG SER A 82 8.843 -7.700 -49.097 1.00 11.21 H new ATOM 1304 N ALA A 83 7.737 -6.814 -44.511 1.00 34.11 N ATOM 1305 CA ALA A 83 7.401 -7.224 -43.154 1.00 62.10 C ATOM 1306 C ALA A 83 6.574 -6.157 -42.446 1.00 53.55 C ATOM 1307 O ALA A 83 5.490 -6.436 -41.934 1.00 1.10 O ATOM 1308 CB ALA A 83 8.668 -7.524 -42.365 1.00 14.31 C ATOM 0 H ALA A 83 8.730 -6.876 -44.737 1.00 34.11 H new ATOM 0 HA ALA A 83 6.799 -8.131 -43.213 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.403 -7.829 -41.353 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.219 -8.328 -42.854 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.291 -6.630 -42.323 1.00 14.31 H new ATOM 1314 N ARG A 84 7.094 -4.934 -42.420 1.00 14.24 N ATOM 1315 CA ARG A 84 6.403 -3.824 -41.774 1.00 42.23 C ATOM 1316 C ARG A 84 4.980 -3.686 -42.305 1.00 55.53 C ATOM 1317 O ARG A 84 4.033 -3.523 -41.536 1.00 43.13 O ATOM 1318 CB ARG A 84 7.171 -2.520 -41.995 1.00 72.41 C ATOM 1319 CG ARG A 84 8.524 -2.485 -41.302 1.00 43.35 C ATOM 1320 CD ARG A 84 9.373 -1.324 -41.796 1.00 30.14 C ATOM 1321 NE ARG A 84 8.633 -0.065 -41.794 1.00 24.42 N ATOM 1322 CZ ARG A 84 9.128 1.079 -42.253 1.00 23.24 C ATOM 1323 NH1 ARG A 84 10.356 1.123 -42.749 1.00 30.24 N ATOM 1324 NH2 ARG A 84 8.393 2.184 -42.216 1.00 14.35 N ATOM 0 H ARG A 84 7.991 -4.687 -42.838 1.00 14.24 H new ATOM 0 HA ARG A 84 6.354 -4.032 -40.705 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.316 -2.371 -43.065 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.567 -1.687 -41.636 1.00 72.41 H new ATOM 0 HG2 ARG A 84 8.380 -2.400 -40.225 1.00 43.35 H new ATOM 0 HG3 ARG A 84 9.050 -3.423 -41.480 1.00 43.35 H new ATOM 0 HD2 ARG A 84 10.256 -1.226 -41.165 1.00 30.14 H new ATOM 0 HD3 ARG A 84 9.725 -1.536 -42.806 1.00 30.14 H new ATOM 0 HE ARG A 84 7.684 -0.064 -41.420 1.00 24.42 H new ATOM 0 HH11 ARG A 84 10.924 0.277 -42.779 1.00 30.24 H new ATOM 0 HH12 ARG A 84 10.733 2.003 -43.101 1.00 30.24 H new ATOM 0 HH21 ARG A 84 7.447 2.155 -41.835 1.00 14.35 H new ATOM 0 HH22 ARG A 84 8.774 3.062 -42.569 1.00 14.35 H new ATOM 1338 N GLU A 85 4.838 -3.749 -43.626 1.00 51.11 N ATOM 1339 CA GLU A 85 3.530 -3.629 -44.260 1.00 55.12 C ATOM 1340 C GLU A 85 2.598 -4.746 -43.800 1.00 1.33 C ATOM 1341 O GLU A 85 1.460 -4.495 -43.399 1.00 32.23 O ATOM 1342 CB GLU A 85 3.671 -3.663 -45.782 1.00 75.34 C ATOM 1343 CG GLU A 85 4.443 -2.482 -46.349 1.00 45.21 C ATOM 1344 CD GLU A 85 3.563 -1.270 -46.587 1.00 21.03 C ATOM 1345 OE1 GLU A 85 3.115 -0.659 -45.594 1.00 42.31 O ATOM 1346 OE2 GLU A 85 3.322 -0.934 -47.765 1.00 3.32 O ATOM 0 H GLU A 85 5.612 -3.882 -44.277 1.00 51.11 H new ATOM 0 HA GLU A 85 3.098 -2.673 -43.964 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.172 -4.587 -46.071 1.00 75.34 H new ATOM 0 HB3 GLU A 85 2.678 -3.686 -46.230 1.00 75.34 H new ATOM 0 HG2 GLU A 85 5.246 -2.214 -45.662 1.00 45.21 H new ATOM 0 HG3 GLU A 85 4.912 -2.776 -47.288 1.00 45.21 H new ATOM 1353 N LEU A 86 3.087 -5.979 -43.860 1.00 22.40 N ATOM 1354 CA LEU A 86 2.298 -7.136 -43.450 1.00 21.33 C ATOM 1355 C LEU A 86 1.765 -6.958 -42.032 1.00 20.32 C ATOM 1356 O LEU A 86 0.568 -7.096 -41.787 1.00 2.34 O ATOM 1357 CB LEU A 86 3.143 -8.409 -43.533 1.00 74.11 C ATOM 1358 CG LEU A 86 3.545 -8.858 -44.938 1.00 10.31 C ATOM 1359 CD1 LEU A 86 4.865 -9.613 -44.900 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.454 -9.718 -45.557 1.00 0.22 C ATOM 0 H LEU A 86 4.026 -6.204 -44.189 1.00 22.40 H new ATOM 0 HA LEU A 86 1.449 -7.225 -44.128 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.050 -8.257 -42.948 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.590 -9.220 -43.059 1.00 74.11 H new ATOM 0 HG LEU A 86 3.675 -7.971 -45.558 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.135 -9.925 -45.909 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.644 -8.964 -44.500 1.00 65.15 H new ATOM 0 HD13 LEU A 86 4.763 -10.492 -44.264 1.00 65.15 H new ATOM 0 HD21 LEU A 86 2.758 -10.028 -46.557 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.291 -10.600 -44.938 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.530 -9.143 -45.621 1.00 0.22 H new ATOM 1372 N MET A 87 2.663 -6.647 -41.102 1.00 55.22 N ATOM 1373 CA MET A 87 2.282 -6.446 -39.710 1.00 3.41 C ATOM 1374 C MET A 87 1.335 -5.258 -39.571 1.00 3.31 C ATOM 1375 O MET A 87 0.451 -5.253 -38.714 1.00 33.02 O ATOM 1376 CB MET A 87 3.525 -6.225 -38.845 1.00 13.51 C ATOM 1377 CG MET A 87 4.539 -7.354 -38.939 1.00 72.40 C ATOM 1378 SD MET A 87 3.858 -8.943 -38.424 1.00 23.01 S ATOM 1379 CE MET A 87 3.532 -9.701 -40.014 1.00 34.44 C ATOM 0 H MET A 87 3.659 -6.529 -41.288 1.00 55.22 H new ATOM 0 HA MET A 87 1.765 -7.343 -39.369 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.004 -5.292 -39.143 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.218 -6.109 -37.806 1.00 13.51 H new ATOM 0 HG2 MET A 87 4.896 -7.432 -39.966 1.00 72.40 H new ATOM 0 HG3 MET A 87 5.402 -7.115 -38.318 1.00 72.40 H new ATOM 0 HE1 MET A 87 3.574 -10.786 -39.916 1.00 34.44 H new ATOM 0 HE2 MET A 87 2.542 -9.407 -40.361 1.00 34.44 H new ATOM 0 HE3 MET A 87 4.281 -9.372 -40.734 1.00 34.44 H new ATOM 1389 N LEU A 88 1.526 -4.254 -40.419 1.00 0.04 N ATOM 1390 CA LEU A 88 0.688 -3.060 -40.391 1.00 32.32 C ATOM 1391 C LEU A 88 -0.770 -3.411 -40.666 1.00 31.41 C ATOM 1392 O LEU A 88 -1.661 -3.057 -39.894 1.00 51.04 O ATOM 1393 CB LEU A 88 1.182 -2.041 -41.421 1.00 71.42 C ATOM 1394 CG LEU A 88 0.747 -0.593 -41.194 1.00 15.31 C ATOM 1395 CD1 LEU A 88 -0.750 -0.444 -41.416 1.00 0.02 C ATOM 1396 CD2 LEU A 88 1.129 -0.134 -39.795 1.00 33.15 C ATOM 0 H LEU A 88 2.253 -4.242 -41.134 1.00 0.04 H new ATOM 0 HA LEU A 88 0.756 -2.623 -39.395 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.271 -2.073 -41.441 1.00 71.42 H new ATOM 0 HB3 LEU A 88 0.836 -2.353 -42.406 1.00 71.42 H new ATOM 0 HG LEU A 88 1.265 0.039 -41.916 1.00 15.31 H new ATOM 0 HD11 LEU A 88 -1.041 0.593 -41.250 1.00 0.02 H new ATOM 0 HD12 LEU A 88 -0.997 -0.731 -42.438 1.00 0.02 H new ATOM 0 HD13 LEU A 88 -1.287 -1.088 -40.719 1.00 0.02 H new ATOM 0 HD21 LEU A 88 0.812 0.899 -39.652 1.00 33.15 H new ATOM 0 HD22 LEU A 88 0.640 -0.770 -39.057 1.00 33.15 H new ATOM 0 HD23 LEU A 88 2.210 -0.202 -39.672 1.00 33.15 H new ATOM 1408 N ALA A 89 -1.007 -4.112 -41.770 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.357 -4.515 -42.144 1.00 72.31 C ATOM 1410 C ALA A 89 -2.866 -5.632 -41.240 1.00 53.31 C ATOM 1411 O ALA A 89 -3.993 -5.576 -40.746 1.00 61.11 O ATOM 1412 CB ALA A 89 -2.391 -4.956 -43.601 1.00 53.34 C ATOM 0 H ALA A 89 -0.282 -4.413 -42.421 1.00 5.24 H new ATOM 0 HA ALA A 89 -3.015 -3.655 -42.020 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -3.405 -5.254 -43.867 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -2.077 -4.130 -44.239 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.716 -5.800 -43.742 1.00 53.34 H new ATOM 1418 N GLN A 90 -2.032 -6.644 -41.029 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.401 -7.773 -40.184 1.00 12.45 C ATOM 1420 C GLN A 90 -1.381 -7.974 -39.067 1.00 41.24 C ATOM 1421 O GLN A 90 -0.508 -8.840 -39.139 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.514 -9.048 -41.022 1.00 3.41 C ATOM 1423 CG GLN A 90 -1.357 -9.245 -41.989 1.00 23.53 C ATOM 1424 CD GLN A 90 -1.559 -10.437 -42.903 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -1.330 -10.354 -44.111 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -1.989 -11.556 -42.333 1.00 33.14 N ATOM 0 H GLN A 90 -1.097 -6.706 -41.431 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.369 -7.555 -39.733 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.569 -9.908 -40.354 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -3.447 -9.021 -41.585 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -1.235 -8.345 -42.592 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -0.434 -9.377 -41.424 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -2.166 -11.581 -41.329 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -2.142 -12.391 -42.899 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.490 -7.155 -38.011 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.587 -7.223 -36.860 1.00 32.24 C ATOM 1437 C PRO A 91 -0.801 -8.484 -36.028 1.00 54.10 C ATOM 1438 O PRO A 91 -0.031 -8.773 -35.112 1.00 35.34 O ATOM 1439 CB PRO A 91 -0.952 -5.979 -36.047 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.363 -5.683 -36.421 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.506 -6.100 -37.860 1.00 34.13 C ATOM 0 HA PRO A 91 0.459 -7.258 -37.165 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -0.856 -6.163 -34.977 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.295 -5.143 -36.286 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.058 -6.231 -35.785 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -2.585 -4.623 -36.298 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.508 -6.473 -38.073 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.325 -5.267 -38.540 1.00 34.13 H new ATOM 1449 N SER A 92 -1.851 -9.231 -36.354 1.00 20.51 N ATOM 1450 CA SER A 92 -2.167 -10.459 -35.635 1.00 11.34 C ATOM 1451 C SER A 92 -1.012 -11.452 -35.720 1.00 43.02 C ATOM 1452 O SER A 92 -0.896 -12.358 -34.896 1.00 60.53 O ATOM 1453 CB SER A 92 -3.441 -11.091 -36.200 1.00 1.20 C ATOM 1454 OG SER A 92 -3.719 -12.329 -35.568 1.00 33.02 O ATOM 0 H SER A 92 -2.497 -9.007 -37.111 1.00 20.51 H new ATOM 0 HA SER A 92 -2.328 -10.206 -34.587 1.00 11.34 H new ATOM 0 HB2 SER A 92 -4.281 -10.411 -36.060 1.00 1.20 H new ATOM 0 HB3 SER A 92 -3.330 -11.244 -37.273 1.00 1.20 H new ATOM 0 HG SER A 92 -4.538 -12.712 -35.945 1.00 33.02 H new ATOM 1460 N MET A 93 -0.160 -11.274 -36.725 1.00 64.00 N ATOM 1461 CA MET A 93 0.987 -12.153 -36.918 1.00 11.03 C ATOM 1462 C MET A 93 2.132 -11.766 -35.987 1.00 22.03 C ATOM 1463 O MET A 93 3.036 -12.562 -35.733 1.00 62.52 O ATOM 1464 CB MET A 93 1.457 -12.101 -38.373 1.00 21.24 C ATOM 1465 CG MET A 93 0.932 -13.247 -39.223 1.00 71.33 C ATOM 1466 SD MET A 93 0.696 -12.781 -40.948 1.00 63.23 S ATOM 1467 CE MET A 93 1.645 -14.056 -41.775 1.00 50.03 C ATOM 0 H MET A 93 -0.243 -10.530 -37.417 1.00 64.00 H new ATOM 0 HA MET A 93 0.677 -13.171 -36.680 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.140 -11.157 -38.815 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.547 -12.113 -38.395 1.00 21.24 H new ATOM 0 HG2 MET A 93 1.629 -14.083 -39.169 1.00 71.33 H new ATOM 0 HG3 MET A 93 -0.016 -13.595 -38.812 1.00 71.33 H new ATOM 0 HE1 MET A 93 1.596 -13.904 -42.853 1.00 50.03 H new ATOM 0 HE2 MET A 93 2.684 -14.006 -41.448 1.00 50.03 H new ATOM 0 HE3 MET A 93 1.233 -15.034 -41.527 1.00 50.03 H new ATOM 1477 N VAL A 94 2.088 -10.537 -35.483 1.00 52.44 N ATOM 1478 CA VAL A 94 3.122 -10.044 -34.579 1.00 10.35 C ATOM 1479 C VAL A 94 3.181 -10.878 -33.305 1.00 43.41 C ATOM 1480 O VAL A 94 2.153 -11.316 -32.788 1.00 40.44 O ATOM 1481 CB VAL A 94 2.883 -8.569 -34.204 1.00 33.42 C ATOM 1482 CG1 VAL A 94 4.006 -8.055 -33.317 1.00 75.05 C ATOM 1483 CG2 VAL A 94 2.749 -7.716 -35.457 1.00 35.21 C ATOM 0 H VAL A 94 1.348 -9.864 -35.685 1.00 52.44 H new ATOM 0 HA VAL A 94 4.071 -10.127 -35.108 1.00 10.35 H new ATOM 0 HB VAL A 94 1.950 -8.501 -33.644 1.00 33.42 H new ATOM 0 HG11 VAL A 94 3.820 -7.012 -33.062 1.00 75.05 H new ATOM 0 HG12 VAL A 94 4.050 -8.649 -32.404 1.00 75.05 H new ATOM 0 HG13 VAL A 94 4.955 -8.135 -33.848 1.00 75.05 H new ATOM 0 HG21 VAL A 94 2.581 -6.677 -35.174 1.00 35.21 H new ATOM 0 HG22 VAL A 94 3.664 -7.788 -36.046 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.907 -8.071 -36.051 1.00 35.21 H new ATOM 1493 N LYS A 95 4.392 -11.094 -32.801 1.00 21.24 N ATOM 1494 CA LYS A 95 4.587 -11.874 -31.585 1.00 1.24 C ATOM 1495 C LYS A 95 3.682 -11.370 -30.465 1.00 13.35 C ATOM 1496 O LYS A 95 3.386 -10.179 -30.381 1.00 52.22 O ATOM 1497 CB LYS A 95 6.051 -11.808 -31.143 1.00 62.41 C ATOM 1498 CG LYS A 95 6.884 -12.985 -31.619 1.00 12.43 C ATOM 1499 CD LYS A 95 6.599 -14.236 -30.804 1.00 23.31 C ATOM 1500 CE LYS A 95 7.165 -14.126 -29.397 1.00 33.13 C ATOM 1501 NZ LYS A 95 7.226 -15.450 -28.718 1.00 64.41 N ATOM 0 H LYS A 95 5.253 -10.739 -33.217 1.00 21.24 H new ATOM 0 HA LYS A 95 4.325 -12.910 -31.800 1.00 1.24 H new ATOM 0 HB2 LYS A 95 6.494 -10.885 -31.518 1.00 62.41 H new ATOM 0 HB3 LYS A 95 6.091 -11.762 -30.055 1.00 62.41 H new ATOM 0 HG2 LYS A 95 6.674 -13.179 -32.671 1.00 12.43 H new ATOM 0 HG3 LYS A 95 7.943 -12.736 -31.546 1.00 12.43 H new ATOM 0 HD2 LYS A 95 5.523 -14.400 -30.752 1.00 23.31 H new ATOM 0 HD3 LYS A 95 7.030 -15.103 -31.304 1.00 23.31 H new ATOM 0 HE2 LYS A 95 8.165 -13.694 -29.441 1.00 33.13 H new ATOM 0 HE3 LYS A 95 6.549 -13.445 -28.810 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 7.617 -15.332 -27.762 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 6.269 -15.851 -28.653 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 7.835 -16.093 -29.264 1.00 64.41 H new ATOM 1515 N ARG A 96 3.249 -12.286 -29.604 1.00 23.43 N ATOM 1516 CA ARG A 96 2.379 -11.934 -28.488 1.00 52.42 C ATOM 1517 C ARG A 96 2.548 -12.919 -27.336 1.00 73.24 C ATOM 1518 O ARG A 96 3.044 -14.033 -27.506 1.00 25.00 O ATOM 1519 CB ARG A 96 0.919 -11.909 -28.942 1.00 2.41 C ATOM 1520 CG ARG A 96 0.456 -10.547 -29.433 1.00 32.35 C ATOM 1521 CD ARG A 96 -0.985 -10.589 -29.917 1.00 1.31 C ATOM 1522 NE ARG A 96 -1.132 -11.386 -31.131 1.00 4.33 N ATOM 1523 CZ ARG A 96 -1.415 -12.684 -31.129 1.00 22.53 C ATOM 1524 NH1 ARG A 96 -1.581 -13.328 -29.981 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -1.533 -13.341 -32.276 1.00 31.42 N ATOM 0 H ARG A 96 3.486 -13.277 -29.658 1.00 23.43 H new ATOM 0 HA ARG A 96 2.661 -10.941 -28.138 1.00 52.42 H new ATOM 0 HB2 ARG A 96 0.783 -12.639 -29.740 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.284 -12.222 -28.113 1.00 2.41 H new ATOM 0 HG2 ARG A 96 0.549 -9.818 -28.628 1.00 32.35 H new ATOM 0 HG3 ARG A 96 1.103 -10.212 -30.243 1.00 32.35 H new ATOM 0 HD2 ARG A 96 -1.619 -11.003 -29.133 1.00 1.31 H new ATOM 0 HD3 ARG A 96 -1.334 -9.574 -30.106 1.00 1.31 H new ATOM 0 HE ARG A 96 -1.011 -10.921 -32.031 1.00 4.33 H new ATOM 0 HH11 ARG A 96 -1.491 -12.827 -29.097 1.00 21.10 H new ATOM 0 HH12 ARG A 96 -1.798 -14.325 -29.982 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -1.406 -12.849 -33.161 1.00 31.42 H new ATOM 0 HH22 ARG A 96 -1.750 -14.338 -32.273 1.00 31.42 H new ATOM 1539 N PRO A 97 2.129 -12.500 -26.132 1.00 5.45 N ATOM 1540 CA PRO A 97 1.539 -11.176 -25.917 1.00 55.21 C ATOM 1541 C PRO A 97 2.563 -10.055 -26.059 1.00 1.12 C ATOM 1542 O PRO A 97 3.764 -10.305 -26.145 1.00 11.34 O ATOM 1543 CB PRO A 97 1.020 -11.248 -24.479 1.00 63.23 C ATOM 1544 CG PRO A 97 1.870 -12.281 -23.821 1.00 53.40 C ATOM 1545 CD PRO A 97 2.198 -13.288 -24.890 1.00 14.11 C ATOM 0 HA PRO A 97 0.767 -10.950 -26.652 1.00 55.21 H new ATOM 0 HB2 PRO A 97 1.108 -10.284 -23.977 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.034 -11.526 -24.452 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.777 -11.837 -23.411 1.00 53.40 H new ATOM 0 HG3 PRO A 97 1.342 -12.750 -22.991 1.00 53.40 H new ATOM 0 HD2 PRO A 97 3.187 -13.722 -24.744 1.00 14.11 H new ATOM 0 HD3 PRO A 97 1.486 -14.113 -24.897 1.00 14.11 H new ATOM 1553 N VAL A 98 2.078 -8.817 -26.083 1.00 75.11 N ATOM 1554 CA VAL A 98 2.951 -7.657 -26.213 1.00 22.51 C ATOM 1555 C VAL A 98 2.744 -6.681 -25.060 1.00 20.24 C ATOM 1556 O VAL A 98 1.618 -6.275 -24.771 1.00 74.34 O ATOM 1557 CB VAL A 98 2.712 -6.920 -27.544 1.00 62.21 C ATOM 1558 CG1 VAL A 98 3.578 -5.672 -27.628 1.00 65.22 C ATOM 1559 CG2 VAL A 98 2.982 -7.846 -28.720 1.00 73.13 C ATOM 0 H VAL A 98 1.085 -8.592 -26.014 1.00 75.11 H new ATOM 0 HA VAL A 98 3.975 -8.029 -26.191 1.00 22.51 H new ATOM 0 HB VAL A 98 1.668 -6.611 -27.585 1.00 62.21 H new ATOM 0 HG11 VAL A 98 3.395 -5.165 -28.575 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.331 -5.002 -26.804 1.00 65.22 H new ATOM 0 HG13 VAL A 98 4.629 -5.954 -27.564 1.00 65.22 H new ATOM 0 HG21 VAL A 98 2.808 -7.310 -29.653 1.00 73.13 H new ATOM 0 HG22 VAL A 98 4.017 -8.187 -28.685 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.315 -8.706 -28.667 1.00 73.13 H new ATOM 1569 N LEU A 99 3.838 -6.307 -24.405 1.00 44.10 N ATOM 1570 CA LEU A 99 3.777 -5.378 -23.282 1.00 22.24 C ATOM 1571 C LEU A 99 4.336 -4.013 -23.674 1.00 30.44 C ATOM 1572 O LEU A 99 5.486 -3.903 -24.099 1.00 63.23 O ATOM 1573 CB LEU A 99 4.553 -5.935 -22.089 1.00 31.22 C ATOM 1574 CG LEU A 99 3.947 -5.671 -20.710 1.00 2.12 C ATOM 1575 CD1 LEU A 99 4.012 -6.923 -19.849 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.662 -4.514 -20.027 1.00 2.44 C ATOM 0 H LEU A 99 4.777 -6.633 -24.632 1.00 44.10 H new ATOM 0 HA LEU A 99 2.731 -5.256 -23.001 1.00 22.24 H new ATOM 0 HB2 LEU A 99 4.655 -7.012 -22.219 1.00 31.22 H new ATOM 0 HB3 LEU A 99 5.559 -5.515 -22.108 1.00 31.22 H new ATOM 0 HG LEU A 99 2.899 -5.399 -20.840 1.00 2.12 H new ATOM 0 HD11 LEU A 99 3.576 -6.716 -18.872 1.00 64.20 H new ATOM 0 HD12 LEU A 99 3.455 -7.726 -20.332 1.00 64.20 H new ATOM 0 HD13 LEU A 99 5.052 -7.226 -19.726 1.00 64.20 H new ATOM 0 HD21 LEU A 99 4.218 -4.340 -19.047 1.00 2.44 H new ATOM 0 HD22 LEU A 99 5.718 -4.758 -19.909 1.00 2.44 H new ATOM 0 HD23 LEU A 99 4.563 -3.615 -20.635 1.00 2.44 H new ATOM 1588 N GLU A 100 3.515 -2.978 -23.527 1.00 64.22 N ATOM 1589 CA GLU A 100 3.930 -1.621 -23.864 1.00 43.31 C ATOM 1590 C GLU A 100 4.126 -0.783 -22.604 1.00 30.33 C ATOM 1591 O GLU A 100 3.358 -0.890 -21.649 1.00 5.33 O ATOM 1592 CB GLU A 100 2.893 -0.959 -24.774 1.00 12.53 C ATOM 1593 CG GLU A 100 3.325 0.398 -25.303 1.00 51.33 C ATOM 1594 CD GLU A 100 2.985 1.529 -24.352 1.00 23.35 C ATOM 1595 OE1 GLU A 100 1.978 1.410 -23.622 1.00 13.23 O ATOM 1596 OE2 GLU A 100 3.726 2.535 -24.338 1.00 3.32 O ATOM 0 H GLU A 100 2.560 -3.053 -23.177 1.00 64.22 H new ATOM 0 HA GLU A 100 4.882 -1.680 -24.392 1.00 43.31 H new ATOM 0 HB2 GLU A 100 2.687 -1.619 -25.617 1.00 12.53 H new ATOM 0 HB3 GLU A 100 1.959 -0.844 -24.223 1.00 12.53 H new ATOM 0 HG2 GLU A 100 4.400 0.389 -25.481 1.00 51.33 H new ATOM 0 HG3 GLU A 100 2.844 0.579 -26.264 1.00 51.33 H new ATOM 1603 N ARG A 101 5.161 0.050 -22.611 1.00 4.25 N ATOM 1604 CA ARG A 101 5.460 0.905 -21.469 1.00 32.41 C ATOM 1605 C ARG A 101 6.579 1.887 -21.803 1.00 74.21 C ATOM 1606 O ARG A 101 7.651 1.490 -22.261 1.00 12.55 O ATOM 1607 CB ARG A 101 5.857 0.057 -20.259 1.00 44.21 C ATOM 1608 CG ARG A 101 6.033 0.863 -18.982 1.00 1.21 C ATOM 1609 CD ARG A 101 6.363 -0.035 -17.799 1.00 54.35 C ATOM 1610 NE ARG A 101 7.175 0.654 -16.800 1.00 52.24 N ATOM 1611 CZ ARG A 101 8.438 1.018 -17.001 1.00 25.22 C ATOM 1612 NH1 ARG A 101 9.028 0.760 -18.160 1.00 24.34 N ATOM 1613 NH2 ARG A 101 9.111 1.642 -16.043 1.00 11.44 N ATOM 0 H ARG A 101 5.806 0.151 -23.394 1.00 4.25 H new ATOM 0 HA ARG A 101 4.561 1.472 -21.228 1.00 32.41 H new ATOM 0 HB2 ARG A 101 5.096 -0.706 -20.095 1.00 44.21 H new ATOM 0 HB3 ARG A 101 6.788 -0.464 -20.481 1.00 44.21 H new ATOM 0 HG2 ARG A 101 6.830 1.594 -19.119 1.00 1.21 H new ATOM 0 HG3 ARG A 101 5.120 1.421 -18.774 1.00 1.21 H new ATOM 0 HD2 ARG A 101 5.438 -0.382 -17.338 1.00 54.35 H new ATOM 0 HD3 ARG A 101 6.895 -0.919 -18.152 1.00 54.35 H new ATOM 0 HE ARG A 101 6.750 0.868 -15.898 1.00 52.24 H new ATOM 0 HH11 ARG A 101 8.513 0.282 -18.899 1.00 24.34 H new ATOM 0 HH12 ARG A 101 9.997 1.040 -18.313 1.00 24.34 H new ATOM 0 HH21 ARG A 101 8.660 1.843 -15.151 1.00 11.44 H new ATOM 0 HH22 ARG A 101 10.080 1.921 -16.199 1.00 11.44 H new ATOM 1627 N ASP A 102 6.323 3.170 -21.572 1.00 73.03 N ATOM 1628 CA ASP A 102 7.308 4.209 -21.848 1.00 63.23 C ATOM 1629 C ASP A 102 7.799 4.124 -23.290 1.00 24.24 C ATOM 1630 O ASP A 102 8.921 4.519 -23.599 1.00 10.42 O ATOM 1631 CB ASP A 102 8.491 4.089 -20.886 1.00 41.13 C ATOM 1632 CG ASP A 102 8.158 4.586 -19.493 1.00 72.41 C ATOM 1633 OD1 ASP A 102 7.114 5.253 -19.335 1.00 22.03 O ATOM 1634 OD2 ASP A 102 8.940 4.305 -18.560 1.00 51.21 O ATOM 0 H ASP A 102 5.441 3.515 -21.194 1.00 73.03 H new ATOM 0 HA ASP A 102 6.828 5.177 -21.703 1.00 63.23 H new ATOM 0 HB2 ASP A 102 8.806 3.047 -20.831 1.00 41.13 H new ATOM 0 HB3 ASP A 102 9.334 4.657 -21.279 1.00 41.13 H new ATOM 1639 N GLY A 103 6.948 3.603 -24.170 1.00 2.43 N ATOM 1640 CA GLY A 103 7.313 3.473 -25.567 1.00 31.54 C ATOM 1641 C GLY A 103 7.977 2.145 -25.874 1.00 30.50 C ATOM 1642 O GLY A 103 7.651 1.493 -26.865 1.00 10.41 O ATOM 0 H GLY A 103 6.012 3.269 -23.939 1.00 2.43 H new ATOM 0 HA2 GLY A 103 6.421 3.580 -26.184 1.00 31.54 H new ATOM 0 HA3 GLY A 103 7.988 4.284 -25.840 1.00 31.54 H new ATOM 1646 N LYS A 104 8.914 1.744 -25.020 1.00 25.14 N ATOM 1647 CA LYS A 104 9.627 0.486 -25.203 1.00 25.34 C ATOM 1648 C LYS A 104 8.665 -0.697 -25.154 1.00 14.23 C ATOM 1649 O LYS A 104 7.879 -0.834 -24.216 1.00 31.24 O ATOM 1650 CB LYS A 104 10.704 0.325 -24.128 1.00 11.12 C ATOM 1651 CG LYS A 104 11.409 -1.019 -24.169 1.00 33.24 C ATOM 1652 CD LYS A 104 12.681 -1.007 -23.337 1.00 41.15 C ATOM 1653 CE LYS A 104 13.172 -2.418 -23.051 1.00 4.32 C ATOM 1654 NZ LYS A 104 14.640 -2.455 -22.806 1.00 32.45 N ATOM 0 H LYS A 104 9.197 2.273 -24.195 1.00 25.14 H new ATOM 0 HA LYS A 104 10.101 0.506 -26.184 1.00 25.34 H new ATOM 0 HB2 LYS A 104 11.443 1.117 -24.245 1.00 11.12 H new ATOM 0 HB3 LYS A 104 10.248 0.457 -23.147 1.00 11.12 H new ATOM 0 HG2 LYS A 104 10.738 -1.794 -23.799 1.00 33.24 H new ATOM 0 HG3 LYS A 104 11.651 -1.273 -25.201 1.00 33.24 H new ATOM 0 HD2 LYS A 104 13.456 -0.450 -23.863 1.00 41.15 H new ATOM 0 HD3 LYS A 104 12.498 -0.487 -22.397 1.00 41.15 H new ATOM 0 HE2 LYS A 104 12.649 -2.815 -22.181 1.00 4.32 H new ATOM 0 HE3 LYS A 104 12.928 -3.065 -23.893 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 14.936 -3.434 -22.615 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 15.141 -2.100 -23.645 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 14.870 -1.858 -21.986 1.00 32.45 H new ATOM 1668 N LEU A 105 8.732 -1.550 -26.170 1.00 31.53 N ATOM 1669 CA LEU A 105 7.867 -2.723 -26.242 1.00 20.33 C ATOM 1670 C LEU A 105 8.587 -3.963 -25.722 1.00 75.31 C ATOM 1671 O LEU A 105 9.813 -4.054 -25.787 1.00 23.42 O ATOM 1672 CB LEU A 105 7.407 -2.954 -27.683 1.00 32.41 C ATOM 1673 CG LEU A 105 6.080 -3.694 -27.853 1.00 52.15 C ATOM 1674 CD1 LEU A 105 4.911 -2.765 -27.561 1.00 35.41 C ATOM 1675 CD2 LEU A 105 5.966 -4.270 -29.256 1.00 22.22 C ATOM 0 H LEU A 105 9.376 -1.452 -26.955 1.00 31.53 H new ATOM 0 HA LEU A 105 6.996 -2.540 -25.613 1.00 20.33 H new ATOM 0 HB2 LEU A 105 7.326 -1.986 -28.177 1.00 32.41 H new ATOM 0 HB3 LEU A 105 8.182 -3.515 -28.205 1.00 32.41 H new ATOM 0 HG LEU A 105 6.052 -4.518 -27.140 1.00 52.15 H new ATOM 0 HD11 LEU A 105 3.974 -3.308 -27.687 1.00 35.41 H new ATOM 0 HD12 LEU A 105 4.984 -2.400 -26.537 1.00 35.41 H new ATOM 0 HD13 LEU A 105 4.936 -1.921 -28.250 1.00 35.41 H new ATOM 0 HD21 LEU A 105 5.015 -4.793 -29.358 1.00 22.22 H new ATOM 0 HD22 LEU A 105 6.016 -3.462 -29.986 1.00 22.22 H new ATOM 0 HD23 LEU A 105 6.785 -4.968 -29.430 1.00 22.22 H new ATOM 1687 N MET A 106 7.817 -4.916 -25.207 1.00 74.33 N ATOM 1688 CA MET A 106 8.381 -6.152 -24.679 1.00 20.31 C ATOM 1689 C MET A 106 7.644 -7.367 -25.234 1.00 43.33 C ATOM 1690 O MET A 106 6.439 -7.316 -25.477 1.00 3.02 O ATOM 1691 CB MET A 106 8.316 -6.155 -23.151 1.00 44.33 C ATOM 1692 CG MET A 106 9.542 -5.547 -22.488 1.00 71.01 C ATOM 1693 SD MET A 106 9.697 -6.011 -20.753 1.00 50.21 S ATOM 1694 CE MET A 106 8.257 -5.206 -20.057 1.00 61.54 C ATOM 0 H MET A 106 6.801 -4.856 -25.144 1.00 74.33 H new ATOM 0 HA MET A 106 9.424 -6.209 -24.991 1.00 20.31 H new ATOM 0 HB2 MET A 106 7.431 -5.605 -22.832 1.00 44.33 H new ATOM 0 HB3 MET A 106 8.196 -7.181 -22.803 1.00 44.33 H new ATOM 0 HG2 MET A 106 10.436 -5.864 -23.026 1.00 71.01 H new ATOM 0 HG3 MET A 106 9.491 -4.461 -22.566 1.00 71.01 H new ATOM 0 HE1 MET A 106 8.557 -4.597 -19.204 1.00 61.54 H new ATOM 0 HE2 MET A 106 7.795 -4.570 -20.812 1.00 61.54 H new ATOM 0 HE3 MET A 106 7.541 -5.960 -19.730 1.00 61.54 H new ATOM 1704 N VAL A 107 8.376 -8.459 -25.429 1.00 75.01 N ATOM 1705 CA VAL A 107 7.791 -9.687 -25.954 1.00 61.12 C ATOM 1706 C VAL A 107 7.324 -10.600 -24.825 1.00 44.11 C ATOM 1707 O VAL A 107 8.031 -10.795 -23.838 1.00 61.33 O ATOM 1708 CB VAL A 107 8.793 -10.453 -26.837 1.00 11.11 C ATOM 1709 CG1 VAL A 107 8.111 -11.624 -27.529 1.00 22.41 C ATOM 1710 CG2 VAL A 107 9.429 -9.519 -27.857 1.00 1.13 C ATOM 0 H VAL A 107 9.375 -8.518 -25.231 1.00 75.01 H new ATOM 0 HA VAL A 107 6.933 -9.395 -26.560 1.00 61.12 H new ATOM 0 HB VAL A 107 9.582 -10.849 -26.198 1.00 11.11 H new ATOM 0 HG11 VAL A 107 8.836 -12.153 -28.148 1.00 22.41 H new ATOM 0 HG12 VAL A 107 7.709 -12.305 -26.779 1.00 22.41 H new ATOM 0 HG13 VAL A 107 7.300 -11.254 -28.156 1.00 22.41 H new ATOM 0 HG21 VAL A 107 10.134 -10.078 -28.472 1.00 1.13 H new ATOM 0 HG22 VAL A 107 8.653 -9.091 -28.492 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.956 -8.718 -27.338 1.00 1.13 H new ATOM 1720 N GLY A 108 6.126 -11.157 -24.979 1.00 3.25 N ATOM 1721 CA GLY A 108 5.584 -12.042 -23.966 1.00 34.24 C ATOM 1722 C GLY A 108 6.428 -13.287 -23.773 1.00 63.12 C ATOM 1723 O GLY A 108 7.293 -13.593 -24.593 1.00 74.34 O ATOM 0 H GLY A 108 5.522 -11.011 -25.788 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.512 -11.505 -23.020 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.571 -12.333 -24.246 1.00 34.24 H new ATOM 1727 N PHE A 109 6.177 -14.007 -22.684 1.00 65.53 N ATOM 1728 CA PHE A 109 6.923 -15.224 -22.384 1.00 34.22 C ATOM 1729 C PHE A 109 6.021 -16.265 -21.726 1.00 13.12 C ATOM 1730 O PHE A 109 5.002 -15.929 -21.124 1.00 33.42 O ATOM 1731 CB PHE A 109 8.108 -14.909 -21.468 1.00 43.33 C ATOM 1732 CG PHE A 109 9.354 -14.524 -22.213 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.982 -15.428 -23.054 1.00 74.21 C ATOM 1734 CD2 PHE A 109 9.898 -13.257 -22.071 1.00 64.54 C ATOM 1735 CE1 PHE A 109 11.129 -15.077 -23.741 1.00 22.11 C ATOM 1736 CE2 PHE A 109 11.043 -12.899 -22.756 1.00 30.44 C ATOM 1737 CZ PHE A 109 11.661 -13.811 -23.591 1.00 13.51 C ATOM 0 H PHE A 109 5.463 -13.769 -21.995 1.00 65.53 H new ATOM 0 HA PHE A 109 7.297 -15.632 -23.323 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.831 -14.098 -20.795 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.319 -15.780 -20.848 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.570 -16.419 -23.174 1.00 74.21 H new ATOM 0 HD2 PHE A 109 9.421 -12.542 -21.417 1.00 64.54 H new ATOM 0 HE1 PHE A 109 11.608 -15.791 -24.394 1.00 22.11 H new ATOM 0 HE2 PHE A 109 11.455 -11.907 -22.639 1.00 30.44 H new ATOM 0 HZ PHE A 109 12.558 -13.534 -24.125 1.00 13.51 H new ATOM 1747 N LYS A 110 6.404 -17.531 -21.849 1.00 53.10 N ATOM 1748 CA LYS A 110 5.633 -18.624 -21.267 1.00 31.01 C ATOM 1749 C LYS A 110 5.343 -18.361 -19.793 1.00 43.41 C ATOM 1750 O LYS A 110 6.003 -17.552 -19.140 1.00 73.41 O ATOM 1751 CB LYS A 110 6.386 -19.947 -21.422 1.00 1.21 C ATOM 1752 CG LYS A 110 5.926 -20.774 -22.611 1.00 30.45 C ATOM 1753 CD LYS A 110 6.886 -21.914 -22.902 1.00 25.15 C ATOM 1754 CE LYS A 110 6.777 -22.380 -24.345 1.00 71.12 C ATOM 1755 NZ LYS A 110 5.546 -23.185 -24.577 1.00 33.33 N ATOM 0 H LYS A 110 7.244 -17.826 -22.347 1.00 53.10 H new ATOM 0 HA LYS A 110 4.684 -18.689 -21.800 1.00 31.01 H new ATOM 0 HB2 LYS A 110 7.451 -19.739 -21.525 1.00 1.21 H new ATOM 0 HB3 LYS A 110 6.262 -20.534 -20.512 1.00 1.21 H new ATOM 0 HG2 LYS A 110 4.932 -21.176 -22.413 1.00 30.45 H new ATOM 0 HG3 LYS A 110 5.842 -20.134 -23.490 1.00 30.45 H new ATOM 0 HD2 LYS A 110 7.907 -21.592 -22.699 1.00 25.15 H new ATOM 0 HD3 LYS A 110 6.676 -22.748 -22.232 1.00 25.15 H new ATOM 0 HE2 LYS A 110 6.775 -21.514 -25.007 1.00 71.12 H new ATOM 0 HE3 LYS A 110 7.654 -22.975 -24.602 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 5.509 -23.484 -25.573 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 5.560 -24.025 -23.964 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 4.708 -22.609 -24.357 1.00 33.33 H new ATOM 1769 N PRO A 111 4.334 -19.061 -19.254 1.00 3.22 N ATOM 1770 CA PRO A 111 3.936 -18.921 -17.849 1.00 31.43 C ATOM 1771 C PRO A 111 4.976 -19.495 -16.892 1.00 53.03 C ATOM 1772 O PRO A 111 5.362 -18.848 -15.921 1.00 72.25 O ATOM 1773 CB PRO A 111 2.635 -19.723 -17.768 1.00 2.05 C ATOM 1774 CG PRO A 111 2.734 -20.719 -18.872 1.00 62.33 C ATOM 1775 CD PRO A 111 3.504 -20.043 -19.972 1.00 71.40 C ATOM 0 HA PRO A 111 3.828 -17.876 -17.558 1.00 31.43 H new ATOM 0 HB2 PRO A 111 2.532 -20.214 -16.800 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.765 -19.079 -17.893 1.00 2.05 H new ATOM 0 HG2 PRO A 111 3.243 -21.623 -18.538 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.744 -21.020 -19.216 1.00 62.33 H new ATOM 0 HD2 PRO A 111 4.114 -20.753 -20.530 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.840 -19.560 -20.689 1.00 71.40 H new ATOM 1783 N ALA A 112 5.424 -20.714 -17.174 1.00 62.44 N ATOM 1784 CA ALA A 112 6.421 -21.374 -16.340 1.00 52.52 C ATOM 1785 C ALA A 112 7.705 -20.554 -16.268 1.00 34.24 C ATOM 1786 O ALA A 112 8.334 -20.463 -15.214 1.00 74.33 O ATOM 1787 CB ALA A 112 6.712 -22.769 -16.870 1.00 45.03 C ATOM 0 H ALA A 112 5.112 -21.265 -17.974 1.00 62.44 H new ATOM 0 HA ALA A 112 6.017 -21.458 -15.331 1.00 52.52 H new ATOM 0 HB1 ALA A 112 7.458 -23.250 -16.238 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.796 -23.359 -16.863 1.00 45.03 H new ATOM 0 HB3 ALA A 112 7.091 -22.699 -17.890 1.00 45.03 H new ATOM 1793 N GLN A 113 8.088 -19.963 -17.395 1.00 34.25 N ATOM 1794 CA GLN A 113 9.298 -19.152 -17.457 1.00 42.12 C ATOM 1795 C GLN A 113 9.115 -17.839 -16.703 1.00 63.54 C ATOM 1796 O GLN A 113 9.952 -17.460 -15.885 1.00 30.03 O ATOM 1797 CB GLN A 113 9.673 -18.869 -18.914 1.00 62.35 C ATOM 1798 CG GLN A 113 9.684 -20.111 -19.790 1.00 53.13 C ATOM 1799 CD GLN A 113 10.542 -21.222 -19.218 1.00 30.34 C ATOM 1800 OE1 GLN A 113 11.732 -21.034 -18.962 1.00 1.43 O ATOM 1801 NE2 GLN A 113 9.942 -22.389 -19.015 1.00 31.33 N ATOM 0 H GLN A 113 7.579 -20.030 -18.276 1.00 34.25 H new ATOM 0 HA GLN A 113 10.104 -19.712 -16.983 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.968 -18.148 -19.329 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.659 -18.405 -18.943 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.663 -20.473 -19.914 1.00 53.13 H new ATOM 0 HG3 GLN A 113 10.051 -19.848 -20.782 1.00 53.13 H new ATOM 0 HE21 GLN A 113 8.954 -22.501 -19.241 1.00 31.33 H new ATOM 0 HE22 GLN A 113 10.469 -23.174 -18.633 1.00 31.33 H new ATOM 1810 N TYR A 114 8.015 -17.150 -16.985 1.00 74.31 N ATOM 1811 CA TYR A 114 7.724 -15.878 -16.334 1.00 32.54 C ATOM 1812 C TYR A 114 7.726 -16.028 -14.817 1.00 30.52 C ATOM 1813 O TYR A 114 8.244 -15.174 -14.099 1.00 21.43 O ATOM 1814 CB TYR A 114 6.370 -15.341 -16.803 1.00 52.21 C ATOM 1815 CG TYR A 114 6.291 -13.831 -16.822 1.00 71.23 C ATOM 1816 CD1 TYR A 114 7.247 -13.074 -17.489 1.00 2.14 C ATOM 1817 CD2 TYR A 114 5.260 -13.162 -16.174 1.00 72.04 C ATOM 1818 CE1 TYR A 114 7.179 -11.694 -17.508 1.00 70.32 C ATOM 1819 CE2 TYR A 114 5.183 -11.782 -16.190 1.00 0.14 C ATOM 1820 CZ TYR A 114 6.145 -11.053 -16.857 1.00 74.52 C ATOM 1821 OH TYR A 114 6.073 -9.679 -16.875 1.00 24.42 O ATOM 0 H TYR A 114 7.311 -17.450 -17.659 1.00 74.31 H new ATOM 0 HA TYR A 114 8.505 -15.170 -16.611 1.00 32.54 H new ATOM 0 HB2 TYR A 114 6.166 -15.720 -17.804 1.00 52.21 H new ATOM 0 HB3 TYR A 114 5.589 -15.729 -16.150 1.00 52.21 H new ATOM 0 HD1 TYR A 114 8.057 -13.573 -18.001 1.00 2.14 H new ATOM 0 HD2 TYR A 114 4.506 -13.730 -15.649 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.931 -11.120 -18.029 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.374 -11.277 -15.683 1.00 0.14 H new ATOM 0 HH TYR A 114 5.285 -9.386 -16.371 1.00 24.42 H new ATOM 1831 N GLU A 115 7.143 -17.122 -14.336 1.00 14.02 N ATOM 1832 CA GLU A 115 7.077 -17.385 -12.903 1.00 22.21 C ATOM 1833 C GLU A 115 8.456 -17.731 -12.350 1.00 15.44 C ATOM 1834 O GLU A 115 8.901 -17.156 -11.357 1.00 4.40 O ATOM 1835 CB GLU A 115 6.099 -18.527 -12.616 1.00 5.22 C ATOM 1836 CG GLU A 115 4.702 -18.283 -13.159 1.00 30.50 C ATOM 1837 CD GLU A 115 3.677 -18.080 -12.060 1.00 42.21 C ATOM 1838 OE1 GLU A 115 3.889 -17.195 -11.206 1.00 54.12 O ATOM 1839 OE2 GLU A 115 2.661 -18.807 -12.057 1.00 14.10 O ATOM 0 H GLU A 115 6.710 -17.840 -14.917 1.00 14.02 H new ATOM 0 HA GLU A 115 6.723 -16.480 -12.409 1.00 22.21 H new ATOM 0 HB2 GLU A 115 6.492 -19.448 -13.048 1.00 5.22 H new ATOM 0 HB3 GLU A 115 6.039 -18.681 -11.539 1.00 5.22 H new ATOM 0 HG2 GLU A 115 4.715 -17.405 -13.805 1.00 30.50 H new ATOM 0 HG3 GLU A 115 4.403 -19.129 -13.777 1.00 30.50 H new ATOM 1846 N ALA A 116 9.129 -18.674 -13.000 1.00 50.22 N ATOM 1847 CA ALA A 116 10.458 -19.096 -12.575 1.00 4.31 C ATOM 1848 C ALA A 116 11.440 -17.929 -12.604 1.00 51.44 C ATOM 1849 O ALA A 116 12.416 -17.908 -11.854 1.00 72.23 O ATOM 1850 CB ALA A 116 10.959 -20.231 -13.457 1.00 54.13 C ATOM 0 H ALA A 116 8.776 -19.161 -13.824 1.00 50.22 H new ATOM 0 HA ALA A 116 10.387 -19.453 -11.547 1.00 4.31 H new ATOM 0 HB1 ALA A 116 11.952 -20.536 -13.128 1.00 54.13 H new ATOM 0 HB2 ALA A 116 10.276 -21.078 -13.383 1.00 54.13 H new ATOM 0 HB3 ALA A 116 11.007 -19.893 -14.492 1.00 54.13 H new ATOM 1856 N TYR A 117 11.175 -16.961 -13.475 1.00 54.32 N ATOM 1857 CA TYR A 117 12.037 -15.792 -13.603 1.00 43.12 C ATOM 1858 C TYR A 117 11.707 -14.752 -12.536 1.00 23.32 C ATOM 1859 O TYR A 117 12.602 -14.143 -11.949 1.00 72.22 O ATOM 1860 CB TYR A 117 11.891 -15.175 -14.994 1.00 24.03 C ATOM 1861 CG TYR A 117 13.039 -14.270 -15.379 1.00 64.05 C ATOM 1862 CD1 TYR A 117 14.333 -14.765 -15.491 1.00 22.44 C ATOM 1863 CD2 TYR A 117 12.832 -12.919 -15.630 1.00 53.14 C ATOM 1864 CE1 TYR A 117 15.386 -13.942 -15.841 1.00 40.30 C ATOM 1865 CE2 TYR A 117 13.878 -12.089 -15.982 1.00 11.13 C ATOM 1866 CZ TYR A 117 15.153 -12.605 -16.086 1.00 14.53 C ATOM 1867 OH TYR A 117 16.199 -11.781 -16.436 1.00 31.20 O ATOM 0 H TYR A 117 10.371 -16.963 -14.102 1.00 54.32 H new ATOM 0 HA TYR A 117 13.068 -16.116 -13.463 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.807 -15.975 -15.730 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.962 -14.606 -15.034 1.00 24.03 H new ATOM 0 HD1 TYR A 117 14.519 -15.812 -15.301 1.00 22.44 H new ATOM 0 HD2 TYR A 117 11.835 -12.511 -15.548 1.00 53.14 H new ATOM 0 HE1 TYR A 117 16.385 -14.343 -15.922 1.00 40.30 H new ATOM 0 HE2 TYR A 117 13.699 -11.042 -16.175 1.00 11.13 H new ATOM 0 HH TYR A 117 15.865 -10.870 -16.575 1.00 31.20 H new ATOM 1877 N PHE A 118 10.416 -14.555 -12.291 1.00 14.14 N ATOM 1878 CA PHE A 118 9.966 -13.588 -11.295 1.00 2.10 C ATOM 1879 C PHE A 118 10.588 -13.881 -9.933 1.00 23.32 C ATOM 1880 O PHE A 118 10.855 -12.969 -9.150 1.00 14.34 O ATOM 1881 CB PHE A 118 8.440 -13.610 -11.187 1.00 24.24 C ATOM 1882 CG PHE A 118 7.843 -12.269 -10.873 1.00 65.14 C ATOM 1883 CD1 PHE A 118 8.077 -11.660 -9.651 1.00 41.02 C ATOM 1884 CD2 PHE A 118 7.046 -11.615 -11.800 1.00 55.11 C ATOM 1885 CE1 PHE A 118 7.527 -10.427 -9.359 1.00 73.25 C ATOM 1886 CE2 PHE A 118 6.495 -10.380 -11.514 1.00 41.31 C ATOM 1887 CZ PHE A 118 6.736 -9.785 -10.291 1.00 31.03 C ATOM 0 H PHE A 118 9.663 -15.051 -12.768 1.00 14.14 H new ATOM 0 HA PHE A 118 10.287 -12.597 -11.615 1.00 2.10 H new ATOM 0 HB2 PHE A 118 8.022 -13.974 -12.126 1.00 24.24 H new ATOM 0 HB3 PHE A 118 8.149 -14.319 -10.412 1.00 24.24 H new ATOM 0 HD1 PHE A 118 8.697 -12.155 -8.918 1.00 41.02 H new ATOM 0 HD2 PHE A 118 6.853 -12.076 -12.757 1.00 55.11 H new ATOM 0 HE1 PHE A 118 7.716 -9.965 -8.401 1.00 73.25 H new ATOM 0 HE2 PHE A 118 5.877 -9.881 -12.246 1.00 41.31 H new ATOM 0 HZ PHE A 118 6.307 -8.820 -10.064 1.00 31.03 H new