USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 585 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 9 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 16 GLN :FLIP amide:sc= 0.155 F(o=-0.51,f=0.16) USER MOD Set 1.3: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot -112:sc= 1.11 USER MOD Set 2.2: A 42 HIS : no HD1:sc= 0.154 K(o=2.3,f=0.73) USER MOD Set 2.3: A 69 TYR OH : rot 56:sc= 1.06 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl -170:sc= 0 (180deg=-0.185) USER MOD Single : A 17 ASN : amide:sc= 0.526 K(o=0.53,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 20 THR OG1 : rot -111:sc= 1.67 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.00736 X(o=-0.0074,f=-0.3) USER MOD Single : A 48 TYR OH : rot 30:sc= -0.0119 USER MOD Single : A 50 MET CE :methyl -174:sc= -0.631 (180deg=-0.842) USER MOD Single : A 51 SER OG : rot -20:sc= 0.366 USER MOD Single : A 52 ASN : amide:sc= 0.862 K(o=0.86,f=0) USER MOD Single : A 53 TYR OH : rot -30:sc= -0.114 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= 0.00151 X(o=0.0015,f=-0.027) USER MOD Single : A 57 GLN : amide:sc= -0.75 K(o=-0.75,f=-4.7!) USER MOD Single : A 61 THR OG1 : rot 83:sc= 0.0272 USER MOD Single : A 62 THR OG1 : rot 89:sc= 0.632 USER MOD Single : A 63 ASN :FLIP amide:sc= -1.25 F(o=-1.8!,f=-1.3) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -155:sc= 0 (180deg=-0.969) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 77 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.021) USER MOD Single : A 78 HIS :FLIP no HE2:sc= 0.376 F(o=-1.2,f=0.38) USER MOD ----------------------------------------------------------------- ATOM 49 N PRO A 5 8.901 -7.102 -1.671 1.00 24.30 N ATOM 50 CA PRO A 5 8.411 -5.866 -1.055 1.00 4.13 C ATOM 51 C PRO A 5 8.247 -4.715 -2.075 1.00 2.54 C ATOM 52 O PRO A 5 7.997 -3.569 -1.702 1.00 3.22 O ATOM 53 CB PRO A 5 9.550 -5.562 -0.083 1.00 5.30 C ATOM 54 CG PRO A 5 10.792 -6.002 -0.811 1.00 61.44 C ATOM 55 CD PRO A 5 10.366 -7.052 -1.825 1.00 24.24 C ATOM 0 HA PRO A 5 7.423 -5.967 -0.605 1.00 4.13 H new ATOM 0 HB2 PRO A 5 9.589 -4.501 0.164 1.00 5.30 H new ATOM 0 HB3 PRO A 5 9.427 -6.103 0.855 1.00 5.30 H new ATOM 0 HG2 PRO A 5 11.267 -5.156 -1.308 1.00 61.44 H new ATOM 0 HG3 PRO A 5 11.522 -6.413 -0.114 1.00 61.44 H new ATOM 0 HD2 PRO A 5 10.654 -6.772 -2.838 1.00 24.24 H new ATOM 0 HD3 PRO A 5 10.825 -8.019 -1.619 1.00 24.24 H new ATOM 63 N MET A 6 8.374 -5.029 -3.369 1.00 54.44 N ATOM 64 CA MET A 6 8.469 -3.996 -4.413 1.00 41.12 C ATOM 65 C MET A 6 7.118 -3.654 -5.068 1.00 50.01 C ATOM 66 O MET A 6 6.877 -2.494 -5.410 1.00 75.44 O ATOM 67 CB MET A 6 9.477 -4.428 -5.484 1.00 44.13 C ATOM 68 CG MET A 6 10.901 -4.553 -4.959 1.00 73.54 C ATOM 69 SD MET A 6 12.065 -5.118 -6.215 1.00 61.44 S ATOM 70 CE MET A 6 13.621 -4.931 -5.342 1.00 50.51 C ATOM 0 H MET A 6 8.414 -5.986 -3.720 1.00 54.44 H new ATOM 0 HA MET A 6 8.809 -3.086 -3.918 1.00 41.12 H new ATOM 0 HB2 MET A 6 9.166 -5.386 -5.900 1.00 44.13 H new ATOM 0 HB3 MET A 6 9.461 -3.706 -6.300 1.00 44.13 H new ATOM 0 HG2 MET A 6 11.228 -3.586 -4.577 1.00 73.54 H new ATOM 0 HG3 MET A 6 10.914 -5.249 -4.120 1.00 73.54 H new ATOM 0 HE1 MET A 6 14.441 -5.241 -5.989 1.00 50.51 H new ATOM 0 HE2 MET A 6 13.757 -3.887 -5.060 1.00 50.51 H new ATOM 0 HE3 MET A 6 13.612 -5.551 -4.445 1.00 50.51 H new ATOM 80 N THR A 7 6.244 -4.647 -5.251 1.00 11.54 N ATOM 81 CA THR A 7 4.932 -4.419 -5.895 1.00 70.35 C ATOM 82 C THR A 7 4.165 -3.249 -5.259 1.00 42.42 C ATOM 83 O THR A 7 3.466 -2.507 -5.950 1.00 55.33 O ATOM 84 CB THR A 7 4.029 -5.676 -5.847 1.00 15.33 C ATOM 85 OG1 THR A 7 3.955 -6.177 -4.506 1.00 41.00 O ATOM 86 CG2 THR A 7 4.543 -6.769 -6.777 1.00 64.30 C ATOM 0 H THR A 7 6.412 -5.612 -4.967 1.00 11.54 H new ATOM 0 HA THR A 7 5.162 -4.178 -6.933 1.00 70.35 H new ATOM 0 HB THR A 7 3.034 -5.384 -6.184 1.00 15.33 H new ATOM 0 HG1 THR A 7 4.415 -7.041 -4.454 1.00 41.00 H new ATOM 0 HG21 THR A 7 3.885 -7.636 -6.718 1.00 64.30 H new ATOM 0 HG22 THR A 7 4.561 -6.396 -7.801 1.00 64.30 H new ATOM 0 HG23 THR A 7 5.551 -7.057 -6.478 1.00 64.30 H new ATOM 94 N PHE A 8 4.301 -3.088 -3.943 1.00 20.20 N ATOM 95 CA PHE A 8 3.673 -1.969 -3.227 1.00 61.52 C ATOM 96 C PHE A 8 4.085 -0.616 -3.836 1.00 53.45 C ATOM 97 O PHE A 8 3.238 0.171 -4.266 1.00 21.22 O ATOM 98 CB PHE A 8 4.049 -2.016 -1.737 1.00 41.11 C ATOM 99 CG PHE A 8 3.488 -0.870 -0.924 1.00 62.13 C ATOM 100 CD1 PHE A 8 2.138 -0.823 -0.603 1.00 54.12 C ATOM 101 CD2 PHE A 8 4.313 0.158 -0.481 1.00 35.32 C ATOM 102 CE1 PHE A 8 1.624 0.225 0.141 1.00 45.12 C ATOM 103 CE2 PHE A 8 3.803 1.207 0.261 1.00 51.12 C ATOM 104 CZ PHE A 8 2.457 1.240 0.573 1.00 3.05 C ATOM 0 H PHE A 8 4.840 -3.717 -3.347 1.00 20.20 H new ATOM 0 HA PHE A 8 2.592 -2.069 -3.326 1.00 61.52 H new ATOM 0 HB2 PHE A 8 3.695 -2.956 -1.313 1.00 41.11 H new ATOM 0 HB3 PHE A 8 5.135 -2.014 -1.647 1.00 41.11 H new ATOM 0 HD1 PHE A 8 1.482 -1.613 -0.937 1.00 54.12 H new ATOM 0 HD2 PHE A 8 5.366 0.137 -0.720 1.00 35.32 H new ATOM 0 HE1 PHE A 8 0.572 0.250 0.384 1.00 45.12 H new ATOM 0 HE2 PHE A 8 4.455 2.000 0.596 1.00 51.12 H new ATOM 0 HZ PHE A 8 2.057 2.058 1.154 1.00 3.05 H new ATOM 114 N TYR A 9 5.390 -0.361 -3.885 1.00 55.10 N ATOM 115 CA TYR A 9 5.912 0.878 -4.468 1.00 4.41 C ATOM 116 C TYR A 9 5.625 0.946 -5.975 1.00 71.42 C ATOM 117 O TYR A 9 5.246 1.991 -6.498 1.00 32.00 O ATOM 118 CB TYR A 9 7.422 0.994 -4.212 1.00 72.00 C ATOM 119 CG TYR A 9 8.057 2.235 -4.828 1.00 44.33 C ATOM 120 CD1 TYR A 9 7.934 3.480 -4.215 1.00 35.41 C ATOM 121 CD2 TYR A 9 8.779 2.159 -6.018 1.00 52.14 C ATOM 122 CE1 TYR A 9 8.510 4.608 -4.770 1.00 60.33 C ATOM 123 CE2 TYR A 9 9.357 3.284 -6.575 1.00 65.50 C ATOM 124 CZ TYR A 9 9.221 4.506 -5.949 1.00 65.12 C ATOM 125 OH TYR A 9 9.798 5.629 -6.506 1.00 33.53 O ATOM 0 H TYR A 9 6.107 -0.993 -3.529 1.00 55.10 H new ATOM 0 HA TYR A 9 5.405 1.715 -3.987 1.00 4.41 H new ATOM 0 HB2 TYR A 9 7.599 1.003 -3.137 1.00 72.00 H new ATOM 0 HB3 TYR A 9 7.918 0.108 -4.610 1.00 72.00 H new ATOM 0 HD1 TYR A 9 7.380 3.565 -3.292 1.00 35.41 H new ATOM 0 HD2 TYR A 9 8.888 1.205 -6.513 1.00 52.14 H new ATOM 0 HE1 TYR A 9 8.404 5.566 -4.283 1.00 60.33 H new ATOM 0 HE2 TYR A 9 9.913 3.207 -7.497 1.00 65.50 H new ATOM 0 HH TYR A 9 10.262 5.382 -7.333 1.00 33.53 H new ATOM 135 N ASN A 10 5.801 -0.181 -6.664 1.00 22.13 N ATOM 136 CA ASN A 10 5.590 -0.246 -8.116 1.00 22.42 C ATOM 137 C ASN A 10 4.118 0.026 -8.479 1.00 52.31 C ATOM 138 O ASN A 10 3.803 0.412 -9.607 1.00 41.54 O ATOM 139 CB ASN A 10 6.036 -1.614 -8.654 1.00 63.23 C ATOM 140 CG ASN A 10 6.197 -1.622 -10.164 1.00 42.20 C ATOM 141 OD1 ASN A 10 7.263 -1.317 -10.688 1.00 63.21 O ATOM 142 ND2 ASN A 10 5.151 -1.981 -10.875 1.00 24.25 N ATOM 0 H ASN A 10 6.089 -1.064 -6.243 1.00 22.13 H new ATOM 0 HA ASN A 10 6.195 0.531 -8.583 1.00 22.42 H new ATOM 0 HB2 ASN A 10 6.982 -1.892 -8.190 1.00 63.23 H new ATOM 0 HB3 ASN A 10 5.305 -2.370 -8.366 1.00 63.23 H new ATOM 0 HD21 ASN A 10 5.212 -2.012 -11.893 1.00 24.25 H new ATOM 0 HD22 ASN A 10 4.278 -2.229 -10.409 1.00 24.25 H new ATOM 149 N PHE A 11 3.223 -0.183 -7.515 1.00 40.12 N ATOM 150 CA PHE A 11 1.800 0.131 -7.686 1.00 25.34 C ATOM 151 C PHE A 11 1.519 1.617 -7.392 1.00 31.24 C ATOM 152 O PHE A 11 0.997 2.343 -8.240 1.00 41.24 O ATOM 153 CB PHE A 11 0.951 -0.766 -6.765 1.00 72.25 C ATOM 154 CG PHE A 11 -0.540 -0.524 -6.850 1.00 13.12 C ATOM 155 CD1 PHE A 11 -1.289 -1.062 -7.889 1.00 12.51 C ATOM 156 CD2 PHE A 11 -1.192 0.234 -5.885 1.00 55.32 C ATOM 157 CE1 PHE A 11 -2.654 -0.850 -7.962 1.00 32.21 C ATOM 158 CE2 PHE A 11 -2.555 0.452 -5.956 1.00 1.32 C ATOM 159 CZ PHE A 11 -3.286 -0.091 -6.994 1.00 71.31 C ATOM 0 H PHE A 11 3.457 -0.571 -6.601 1.00 40.12 H new ATOM 0 HA PHE A 11 1.529 -0.062 -8.724 1.00 25.34 H new ATOM 0 HB2 PHE A 11 1.151 -1.809 -7.011 1.00 72.25 H new ATOM 0 HB3 PHE A 11 1.272 -0.614 -5.735 1.00 72.25 H new ATOM 0 HD1 PHE A 11 -0.800 -1.653 -8.649 1.00 12.51 H new ATOM 0 HD2 PHE A 11 -0.626 0.658 -5.069 1.00 55.32 H new ATOM 0 HE1 PHE A 11 -3.225 -1.276 -8.773 1.00 32.21 H new ATOM 0 HE2 PHE A 11 -3.048 1.046 -5.201 1.00 1.32 H new ATOM 0 HZ PHE A 11 -4.351 0.077 -7.050 1.00 71.31 H new ATOM 169 N ILE A 12 1.884 2.069 -6.189 1.00 30.22 N ATOM 170 CA ILE A 12 1.591 3.443 -5.752 1.00 2.23 C ATOM 171 C ILE A 12 2.394 4.500 -6.541 1.00 3.13 C ATOM 172 O ILE A 12 1.990 5.662 -6.620 1.00 70.51 O ATOM 173 CB ILE A 12 1.851 3.612 -4.227 1.00 11.43 C ATOM 174 CG1 ILE A 12 1.362 4.987 -3.725 1.00 21.35 C ATOM 175 CG2 ILE A 12 3.332 3.422 -3.903 1.00 64.22 C ATOM 176 CD1 ILE A 12 -0.126 5.213 -3.903 1.00 11.25 C ATOM 0 H ILE A 12 2.382 1.507 -5.499 1.00 30.22 H new ATOM 0 HA ILE A 12 0.534 3.611 -5.957 1.00 2.23 H new ATOM 0 HB ILE A 12 1.282 2.841 -3.708 1.00 11.43 H new ATOM 0 HG12 ILE A 12 1.611 5.086 -2.668 1.00 21.35 H new ATOM 0 HG13 ILE A 12 1.904 5.770 -4.255 1.00 21.35 H new ATOM 0 HG21 ILE A 12 3.489 3.545 -2.831 1.00 64.22 H new ATOM 0 HG22 ILE A 12 3.645 2.422 -4.203 1.00 64.22 H new ATOM 0 HG23 ILE A 12 3.921 4.164 -4.443 1.00 64.22 H new ATOM 0 HD11 ILE A 12 -0.392 6.201 -3.526 1.00 11.25 H new ATOM 0 HD12 ILE A 12 -0.380 5.148 -4.961 1.00 11.25 H new ATOM 0 HD13 ILE A 12 -0.678 4.453 -3.350 1.00 11.25 H new ATOM 188 N MET A 13 3.520 4.099 -7.145 1.00 21.44 N ATOM 189 CA MET A 13 4.357 5.037 -7.914 1.00 23.40 C ATOM 190 C MET A 13 3.574 5.679 -9.075 1.00 51.23 C ATOM 191 O MET A 13 3.915 6.772 -9.535 1.00 40.33 O ATOM 192 CB MET A 13 5.630 4.343 -8.432 1.00 61.11 C ATOM 193 CG MET A 13 5.384 3.261 -9.479 1.00 24.34 C ATOM 194 SD MET A 13 4.899 3.932 -11.084 1.00 73.25 S ATOM 195 CE MET A 13 4.703 2.431 -12.043 1.00 43.12 C ATOM 0 H MET A 13 3.872 3.142 -7.119 1.00 21.44 H new ATOM 0 HA MET A 13 4.655 5.837 -7.236 1.00 23.40 H new ATOM 0 HB2 MET A 13 6.292 5.098 -8.857 1.00 61.11 H new ATOM 0 HB3 MET A 13 6.155 3.899 -7.586 1.00 61.11 H new ATOM 0 HG2 MET A 13 6.289 2.666 -9.598 1.00 24.34 H new ATOM 0 HG3 MET A 13 4.605 2.588 -9.122 1.00 24.34 H new ATOM 0 HE1 MET A 13 4.580 2.685 -13.096 1.00 43.12 H new ATOM 0 HE2 MET A 13 5.586 1.804 -11.922 1.00 43.12 H new ATOM 0 HE3 MET A 13 3.823 1.889 -11.695 1.00 43.12 H new ATOM 205 N GLY A 14 2.513 5.004 -9.527 1.00 2.22 N ATOM 206 CA GLY A 14 1.652 5.555 -10.572 1.00 73.20 C ATOM 207 C GLY A 14 0.982 6.865 -10.157 1.00 42.24 C ATOM 208 O GLY A 14 0.552 7.650 -11.002 1.00 3.22 O ATOM 0 H GLY A 14 2.233 4.084 -9.188 1.00 2.22 H new ATOM 0 HA2 GLY A 14 2.243 5.724 -11.472 1.00 73.20 H new ATOM 0 HA3 GLY A 14 0.884 4.824 -10.827 1.00 73.20 H new ATOM 212 N PHE A 15 0.880 7.091 -8.847 1.00 30.30 N ATOM 213 CA PHE A 15 0.340 8.346 -8.304 1.00 64.42 C ATOM 214 C PHE A 15 1.475 9.322 -7.936 1.00 31.43 C ATOM 215 O PHE A 15 1.234 10.500 -7.663 1.00 42.22 O ATOM 216 CB PHE A 15 -0.515 8.059 -7.061 1.00 10.24 C ATOM 217 CG PHE A 15 -1.677 7.132 -7.320 1.00 1.02 C ATOM 218 CD1 PHE A 15 -1.514 5.755 -7.257 1.00 24.13 C ATOM 219 CD2 PHE A 15 -2.932 7.640 -7.625 1.00 31.54 C ATOM 220 CE1 PHE A 15 -2.578 4.906 -7.491 1.00 12.03 C ATOM 221 CE2 PHE A 15 -3.998 6.794 -7.860 1.00 22.50 C ATOM 222 CZ PHE A 15 -3.821 5.425 -7.794 1.00 42.34 C ATOM 0 H PHE A 15 1.165 6.419 -8.135 1.00 30.30 H new ATOM 0 HA PHE A 15 -0.280 8.807 -9.073 1.00 64.42 H new ATOM 0 HB2 PHE A 15 0.119 7.624 -6.288 1.00 10.24 H new ATOM 0 HB3 PHE A 15 -0.895 9.002 -6.668 1.00 10.24 H new ATOM 0 HD1 PHE A 15 -0.544 5.343 -7.022 1.00 24.13 H new ATOM 0 HD2 PHE A 15 -3.077 8.709 -7.679 1.00 31.54 H new ATOM 0 HE1 PHE A 15 -2.438 3.837 -7.437 1.00 12.03 H new ATOM 0 HE2 PHE A 15 -4.970 7.202 -8.095 1.00 22.50 H new ATOM 0 HZ PHE A 15 -4.653 4.762 -7.979 1.00 42.34 H new ATOM 232 N GLN A 16 2.712 8.821 -7.940 1.00 13.14 N ATOM 233 CA GLN A 16 3.895 9.615 -7.565 1.00 30.01 C ATOM 234 C GLN A 16 4.357 10.517 -8.719 1.00 54.11 C ATOM 235 O GLN A 16 4.941 11.578 -8.489 1.00 35.11 O ATOM 236 CB GLN A 16 5.027 8.658 -7.124 1.00 30.11 C ATOM 237 CG GLN A 16 6.285 9.325 -6.553 1.00 71.42 C ATOM 238 CD GLN A 16 7.343 9.647 -7.607 1.00 60.33 C ATOM 239 OE1 GLN A 16 8.212 8.697 -7.888 1.00 2.41 O flip ATOM 240 NE2 GLN A 16 7.381 10.739 -8.162 1.00 22.45 N flip ATOM 0 H GLN A 16 2.927 7.859 -8.201 1.00 13.14 H new ATOM 0 HA GLN A 16 3.631 10.271 -6.736 1.00 30.01 H new ATOM 0 HB2 GLN A 16 4.628 7.977 -6.373 1.00 30.11 H new ATOM 0 HB3 GLN A 16 5.318 8.052 -7.982 1.00 30.11 H new ATOM 0 HG2 GLN A 16 5.998 10.246 -6.046 1.00 71.42 H new ATOM 0 HG3 GLN A 16 6.723 8.670 -5.800 1.00 71.42 H new ATOM 0 HE21 GLN A 16 6.695 11.456 -7.925 1.00 22.45 H new ATOM 0 HE22 GLN A 16 8.098 10.931 -8.861 1.00 22.45 H new ATOM 249 N ASN A 17 4.067 10.094 -9.951 1.00 52.43 N ATOM 250 CA ASN A 17 4.491 10.811 -11.170 1.00 42.35 C ATOM 251 C ASN A 17 4.380 12.341 -11.023 1.00 30.41 C ATOM 252 O ASN A 17 5.343 13.069 -11.276 1.00 52.31 O ATOM 253 CB ASN A 17 3.658 10.337 -12.368 1.00 20.43 C ATOM 254 CG ASN A 17 4.026 11.054 -13.655 1.00 72.50 C ATOM 255 OD1 ASN A 17 4.910 10.632 -14.392 1.00 14.15 O ATOM 256 ND2 ASN A 17 3.346 12.146 -13.940 1.00 44.14 N ATOM 0 H ASN A 17 3.532 9.246 -10.139 1.00 52.43 H new ATOM 0 HA ASN A 17 5.544 10.580 -11.334 1.00 42.35 H new ATOM 0 HB2 ASN A 17 3.798 9.264 -12.501 1.00 20.43 H new ATOM 0 HB3 ASN A 17 2.601 10.497 -12.157 1.00 20.43 H new ATOM 0 HD21 ASN A 17 3.550 12.665 -14.794 1.00 44.14 H new ATOM 0 HD22 ASN A 17 2.616 12.472 -13.307 1.00 44.14 H new ATOM 263 N ASP A 18 3.207 12.821 -10.615 1.00 10.45 N ATOM 264 CA ASP A 18 2.987 14.257 -10.397 1.00 4.21 C ATOM 265 C ASP A 18 2.485 14.558 -8.972 1.00 52.44 C ATOM 266 O ASP A 18 2.218 13.647 -8.182 1.00 44.21 O ATOM 267 CB ASP A 18 2.019 14.812 -11.452 1.00 32.14 C ATOM 268 CG ASP A 18 0.849 13.884 -11.724 1.00 4.43 C ATOM 269 OD1 ASP A 18 -0.092 13.846 -10.906 1.00 51.41 O ATOM 270 OD2 ASP A 18 0.865 13.189 -12.762 1.00 53.13 O ATOM 0 H ASP A 18 2.391 12.239 -10.427 1.00 10.45 H new ATOM 0 HA ASP A 18 3.949 14.759 -10.504 1.00 4.21 H new ATOM 0 HB2 ASP A 18 1.640 15.778 -11.118 1.00 32.14 H new ATOM 0 HB3 ASP A 18 2.562 14.986 -12.381 1.00 32.14 H new ATOM 275 N ASN A 19 2.353 15.847 -8.660 1.00 30.23 N ATOM 276 CA ASN A 19 2.019 16.299 -7.302 1.00 20.32 C ATOM 277 C ASN A 19 0.605 15.884 -6.862 1.00 53.35 C ATOM 278 O ASN A 19 -0.381 16.566 -7.152 1.00 61.41 O ATOM 279 CB ASN A 19 2.168 17.822 -7.204 1.00 0.51 C ATOM 280 CG ASN A 19 3.599 18.278 -7.420 1.00 50.14 C ATOM 281 OD1 ASN A 19 4.547 17.590 -7.052 1.00 45.41 O ATOM 282 ND2 ASN A 19 3.767 19.435 -8.021 1.00 61.32 N ATOM 0 H ASN A 19 2.473 16.605 -9.332 1.00 30.23 H new ATOM 0 HA ASN A 19 2.720 15.809 -6.626 1.00 20.32 H new ATOM 0 HB2 ASN A 19 1.523 18.296 -7.944 1.00 0.51 H new ATOM 0 HB3 ASN A 19 1.827 18.155 -6.224 1.00 0.51 H new ATOM 0 HD21 ASN A 19 4.708 19.787 -8.195 1.00 61.32 H new ATOM 0 HD22 ASN A 19 2.956 19.980 -8.313 1.00 61.32 H new ATOM 289 N THR A 20 0.520 14.756 -6.163 1.00 53.11 N ATOM 290 CA THR A 20 -0.739 14.295 -5.553 1.00 61.13 C ATOM 291 C THR A 20 -0.524 13.981 -4.064 1.00 4.45 C ATOM 292 O THR A 20 0.609 13.731 -3.637 1.00 40.14 O ATOM 293 CB THR A 20 -1.286 13.013 -6.239 1.00 75.35 C ATOM 294 OG1 THR A 20 -0.457 11.887 -5.910 1.00 54.23 O ATOM 295 CG2 THR A 20 -1.350 13.167 -7.756 1.00 71.11 C ATOM 0 H THR A 20 1.312 14.134 -6.000 1.00 53.11 H new ATOM 0 HA THR A 20 -1.462 15.101 -5.680 1.00 61.13 H new ATOM 0 HB THR A 20 -2.299 12.851 -5.870 1.00 75.35 H new ATOM 0 HG1 THR A 20 0.030 11.595 -6.709 1.00 54.23 H new ATOM 0 HG21 THR A 20 -1.738 12.249 -8.199 1.00 71.11 H new ATOM 0 HG22 THR A 20 -2.008 13.998 -8.010 1.00 71.11 H new ATOM 0 HG23 THR A 20 -0.351 13.363 -8.144 1.00 71.11 H new ATOM 303 N PRO A 21 -1.596 13.993 -3.240 1.00 30.13 N ATOM 304 CA PRO A 21 -1.509 13.568 -1.830 1.00 14.42 C ATOM 305 C PRO A 21 -1.032 12.110 -1.704 1.00 1.11 C ATOM 306 O PRO A 21 -0.426 11.719 -0.705 1.00 14.33 O ATOM 307 CB PRO A 21 -2.951 13.722 -1.310 1.00 31.54 C ATOM 308 CG PRO A 21 -3.806 13.784 -2.535 1.00 34.40 C ATOM 309 CD PRO A 21 -2.960 14.431 -3.596 1.00 32.12 C ATOM 0 HA PRO A 21 -0.787 14.157 -1.265 1.00 14.42 H new ATOM 0 HB2 PRO A 21 -3.233 12.881 -0.676 1.00 31.54 H new ATOM 0 HB3 PRO A 21 -3.058 14.625 -0.709 1.00 31.54 H new ATOM 0 HG2 PRO A 21 -4.122 12.787 -2.842 1.00 34.40 H new ATOM 0 HG3 PRO A 21 -4.711 14.363 -2.351 1.00 34.40 H new ATOM 0 HD2 PRO A 21 -3.243 14.101 -4.596 1.00 32.12 H new ATOM 0 HD3 PRO A 21 -3.053 15.517 -3.581 1.00 32.12 H new ATOM 317 N PHE A 22 -1.299 11.319 -2.744 1.00 14.53 N ATOM 318 CA PHE A 22 -0.878 9.914 -2.793 1.00 12.51 C ATOM 319 C PHE A 22 0.627 9.800 -3.088 1.00 53.24 C ATOM 320 O PHE A 22 1.318 8.929 -2.552 1.00 12.54 O ATOM 321 CB PHE A 22 -1.675 9.165 -3.870 1.00 1.04 C ATOM 322 CG PHE A 22 -3.171 9.326 -3.740 1.00 44.42 C ATOM 323 CD1 PHE A 22 -3.909 8.470 -2.934 1.00 25.21 C ATOM 324 CD2 PHE A 22 -3.835 10.340 -4.418 1.00 43.10 C ATOM 325 CE1 PHE A 22 -5.277 8.621 -2.810 1.00 44.24 C ATOM 326 CE2 PHE A 22 -5.201 10.494 -4.294 1.00 42.43 C ATOM 327 CZ PHE A 22 -5.923 9.636 -3.489 1.00 42.53 C ATOM 0 H PHE A 22 -1.809 11.629 -3.571 1.00 14.53 H new ATOM 0 HA PHE A 22 -1.073 9.466 -1.819 1.00 12.51 H new ATOM 0 HB2 PHE A 22 -1.364 9.520 -4.852 1.00 1.04 H new ATOM 0 HB3 PHE A 22 -1.427 8.105 -3.821 1.00 1.04 H new ATOM 0 HD1 PHE A 22 -3.408 7.677 -2.398 1.00 25.21 H new ATOM 0 HD2 PHE A 22 -3.276 11.015 -5.049 1.00 43.10 H new ATOM 0 HE1 PHE A 22 -5.841 7.946 -2.183 1.00 44.24 H new ATOM 0 HE2 PHE A 22 -5.705 11.286 -4.827 1.00 42.43 H new ATOM 0 HZ PHE A 22 -6.992 9.758 -3.390 1.00 42.53 H new ATOM 337 N GLY A 23 1.124 10.693 -3.949 1.00 11.02 N ATOM 338 CA GLY A 23 2.546 10.721 -4.285 1.00 21.33 C ATOM 339 C GLY A 23 3.444 10.925 -3.069 1.00 13.43 C ATOM 340 O GLY A 23 4.578 10.444 -3.038 1.00 15.41 O ATOM 0 H GLY A 23 0.564 11.402 -4.423 1.00 11.02 H new ATOM 0 HA2 GLY A 23 2.816 9.786 -4.776 1.00 21.33 H new ATOM 0 HA3 GLY A 23 2.728 11.521 -5.002 1.00 21.33 H new ATOM 344 N ILE A 24 2.927 11.634 -2.067 1.00 11.13 N ATOM 345 CA ILE A 24 3.649 11.852 -0.808 1.00 13.04 C ATOM 346 C ILE A 24 3.956 10.522 -0.104 1.00 10.40 C ATOM 347 O ILE A 24 5.041 10.335 0.447 1.00 43.31 O ATOM 348 CB ILE A 24 2.840 12.766 0.150 1.00 24.34 C ATOM 349 CG1 ILE A 24 2.554 14.125 -0.516 1.00 4.24 C ATOM 350 CG2 ILE A 24 3.575 12.958 1.480 1.00 70.42 C ATOM 351 CD1 ILE A 24 3.799 14.911 -0.874 1.00 22.52 C ATOM 0 H ILE A 24 2.006 12.071 -2.100 1.00 11.13 H new ATOM 0 HA ILE A 24 4.589 12.344 -1.060 1.00 13.04 H new ATOM 0 HB ILE A 24 1.889 12.278 0.362 1.00 24.34 H new ATOM 0 HG12 ILE A 24 1.969 13.959 -1.421 1.00 4.24 H new ATOM 0 HG13 ILE A 24 1.939 14.724 0.155 1.00 4.24 H new ATOM 0 HG21 ILE A 24 2.985 13.603 2.132 1.00 70.42 H new ATOM 0 HG22 ILE A 24 3.718 11.990 1.960 1.00 70.42 H new ATOM 0 HG23 ILE A 24 4.546 13.418 1.296 1.00 70.42 H new ATOM 0 HD11 ILE A 24 3.513 15.855 -1.338 1.00 22.52 H new ATOM 0 HD12 ILE A 24 4.375 15.111 0.029 1.00 22.52 H new ATOM 0 HD13 ILE A 24 4.406 14.333 -1.571 1.00 22.52 H new ATOM 363 N LEU A 25 3.000 9.595 -0.138 1.00 23.32 N ATOM 364 CA LEU A 25 3.192 8.267 0.453 1.00 42.32 C ATOM 365 C LEU A 25 4.313 7.512 -0.282 1.00 30.42 C ATOM 366 O LEU A 25 5.261 7.023 0.341 1.00 3.45 O ATOM 367 CB LEU A 25 1.866 7.479 0.405 1.00 54.34 C ATOM 368 CG LEU A 25 1.806 6.147 1.194 1.00 11.42 C ATOM 369 CD1 LEU A 25 2.525 5.015 0.458 1.00 41.22 C ATOM 370 CD2 LEU A 25 2.374 6.324 2.603 1.00 3.40 C ATOM 0 H LEU A 25 2.086 9.736 -0.567 1.00 23.32 H new ATOM 0 HA LEU A 25 3.491 8.376 1.495 1.00 42.32 H new ATOM 0 HB2 LEU A 25 1.073 8.128 0.777 1.00 54.34 H new ATOM 0 HB3 LEU A 25 1.638 7.264 -0.639 1.00 54.34 H new ATOM 0 HG LEU A 25 0.756 5.866 1.276 1.00 11.42 H new ATOM 0 HD11 LEU A 25 2.459 4.099 1.046 1.00 41.22 H new ATOM 0 HD12 LEU A 25 2.056 4.857 -0.513 1.00 41.22 H new ATOM 0 HD13 LEU A 25 3.573 5.281 0.317 1.00 41.22 H new ATOM 0 HD21 LEU A 25 2.322 5.376 3.138 1.00 3.40 H new ATOM 0 HD22 LEU A 25 3.413 6.647 2.539 1.00 3.40 H new ATOM 0 HD23 LEU A 25 1.793 7.075 3.138 1.00 3.40 H new ATOM 382 N ALA A 26 4.204 7.430 -1.607 1.00 64.01 N ATOM 383 CA ALA A 26 5.220 6.770 -2.436 1.00 33.14 C ATOM 384 C ALA A 26 6.613 7.383 -2.221 1.00 24.31 C ATOM 385 O ALA A 26 7.614 6.670 -2.131 1.00 43.34 O ATOM 386 CB ALA A 26 4.821 6.849 -3.903 1.00 61.30 C ATOM 0 H ALA A 26 3.420 7.813 -2.135 1.00 64.01 H new ATOM 0 HA ALA A 26 5.276 5.724 -2.135 1.00 33.14 H new ATOM 0 HB1 ALA A 26 5.579 6.358 -4.513 1.00 61.30 H new ATOM 0 HB2 ALA A 26 3.861 6.352 -4.046 1.00 61.30 H new ATOM 0 HB3 ALA A 26 4.737 7.894 -4.201 1.00 61.30 H new ATOM 392 N GLU A 27 6.668 8.707 -2.135 1.00 14.03 N ATOM 393 CA GLU A 27 7.921 9.417 -1.869 1.00 52.44 C ATOM 394 C GLU A 27 8.467 9.076 -0.473 1.00 13.11 C ATOM 395 O GLU A 27 9.660 8.815 -0.301 1.00 63.14 O ATOM 396 CB GLU A 27 7.698 10.935 -1.972 1.00 50.40 C ATOM 397 CG GLU A 27 8.953 11.764 -1.710 1.00 70.14 C ATOM 398 CD GLU A 27 8.654 13.246 -1.549 1.00 71.21 C ATOM 399 OE1 GLU A 27 8.388 13.684 -0.408 1.00 3.33 O ATOM 400 OE2 GLU A 27 8.682 13.982 -2.560 1.00 14.44 O ATOM 0 H GLU A 27 5.857 9.316 -2.246 1.00 14.03 H new ATOM 0 HA GLU A 27 8.650 9.100 -2.614 1.00 52.44 H new ATOM 0 HB2 GLU A 27 7.320 11.170 -2.967 1.00 50.40 H new ATOM 0 HB3 GLU A 27 6.926 11.228 -1.261 1.00 50.40 H new ATOM 0 HG2 GLU A 27 9.445 11.397 -0.809 1.00 70.14 H new ATOM 0 HG3 GLU A 27 9.653 11.626 -2.534 1.00 70.14 H new ATOM 407 N HIS A 28 7.575 9.067 0.514 1.00 62.43 N ATOM 408 CA HIS A 28 7.959 8.858 1.912 1.00 1.24 C ATOM 409 C HIS A 28 8.471 7.429 2.159 1.00 4.12 C ATOM 410 O HIS A 28 9.335 7.211 3.008 1.00 22.25 O ATOM 411 CB HIS A 28 6.769 9.167 2.830 1.00 4.33 C ATOM 412 CG HIS A 28 7.155 9.492 4.240 1.00 4.21 C ATOM 413 ND1 HIS A 28 7.512 10.760 4.645 1.00 4.40 N ATOM 414 CD2 HIS A 28 7.225 8.716 5.348 1.00 61.42 C ATOM 415 CE1 HIS A 28 7.783 10.752 5.934 1.00 52.12 C ATOM 416 NE2 HIS A 28 7.617 9.525 6.387 1.00 22.00 N ATOM 0 H HIS A 28 6.574 9.203 0.372 1.00 62.43 H new ATOM 0 HA HIS A 28 8.779 9.539 2.140 1.00 1.24 H new ATOM 0 HB2 HIS A 28 6.211 10.006 2.414 1.00 4.33 H new ATOM 0 HB3 HIS A 28 6.096 8.309 2.837 1.00 4.33 H new ATOM 0 HD2 HIS A 28 7.012 7.659 5.404 1.00 61.42 H new ATOM 0 HE1 HIS A 28 8.089 11.606 6.520 1.00 52.12 H new ATOM 0 HE2 HIS A 28 7.757 9.225 7.352 1.00 22.00 H new ATOM 425 N VAL A 29 7.932 6.454 1.426 1.00 11.31 N ATOM 426 CA VAL A 29 8.406 5.067 1.530 1.00 2.52 C ATOM 427 C VAL A 29 9.678 4.851 0.691 1.00 22.43 C ATOM 428 O VAL A 29 10.493 3.979 0.992 1.00 43.24 O ATOM 429 CB VAL A 29 7.315 4.045 1.105 1.00 12.04 C ATOM 430 CG1 VAL A 29 6.068 4.192 1.976 1.00 31.33 C ATOM 431 CG2 VAL A 29 6.972 4.183 -0.378 1.00 55.01 C ATOM 0 H VAL A 29 7.173 6.593 0.758 1.00 11.31 H new ATOM 0 HA VAL A 29 8.640 4.895 2.581 1.00 2.52 H new ATOM 0 HB VAL A 29 7.717 3.043 1.256 1.00 12.04 H new ATOM 0 HG11 VAL A 29 5.317 3.467 1.662 1.00 31.33 H new ATOM 0 HG12 VAL A 29 6.330 4.014 3.019 1.00 31.33 H new ATOM 0 HG13 VAL A 29 5.667 5.200 1.870 1.00 31.33 H new ATOM 0 HG21 VAL A 29 6.206 3.454 -0.644 1.00 55.01 H new ATOM 0 HG22 VAL A 29 6.599 5.189 -0.573 1.00 55.01 H new ATOM 0 HG23 VAL A 29 7.866 4.005 -0.976 1.00 55.01 H new ATOM 441 N SER A 30 9.848 5.670 -0.350 1.00 15.15 N ATOM 442 CA SER A 30 11.038 5.600 -1.216 1.00 75.32 C ATOM 443 C SER A 30 12.304 6.071 -0.480 1.00 60.41 C ATOM 444 O SER A 30 13.427 5.792 -0.909 1.00 5.23 O ATOM 445 CB SER A 30 10.826 6.447 -2.482 1.00 1.40 C ATOM 446 OG SER A 30 11.933 6.356 -3.367 1.00 73.32 O ATOM 0 H SER A 30 9.179 6.392 -0.618 1.00 15.15 H new ATOM 0 HA SER A 30 11.179 4.556 -1.496 1.00 75.32 H new ATOM 0 HB2 SER A 30 9.923 6.116 -2.994 1.00 1.40 H new ATOM 0 HB3 SER A 30 10.670 7.488 -2.201 1.00 1.40 H new ATOM 0 HG SER A 30 11.763 6.905 -4.161 1.00 73.32 H new ATOM 452 N GLU A 31 12.118 6.775 0.638 1.00 12.02 N ATOM 453 CA GLU A 31 13.241 7.287 1.439 1.00 2.34 C ATOM 454 C GLU A 31 14.006 6.159 2.165 1.00 71.42 C ATOM 455 O GLU A 31 15.027 6.410 2.817 1.00 2.44 O ATOM 456 CB GLU A 31 12.731 8.319 2.460 1.00 0.30 C ATOM 457 CG GLU A 31 12.075 9.544 1.827 1.00 64.13 C ATOM 458 CD GLU A 31 11.646 10.590 2.849 1.00 22.50 C ATOM 459 OE1 GLU A 31 12.488 11.429 3.240 1.00 44.14 O ATOM 460 OE2 GLU A 31 10.469 10.581 3.268 1.00 64.12 O ATOM 0 H GLU A 31 11.198 7.006 1.014 1.00 12.02 H new ATOM 0 HA GLU A 31 13.940 7.763 0.751 1.00 2.34 H new ATOM 0 HB2 GLU A 31 12.013 7.836 3.122 1.00 0.30 H new ATOM 0 HB3 GLU A 31 13.566 8.646 3.080 1.00 0.30 H new ATOM 0 HG2 GLU A 31 12.772 9.998 1.122 1.00 64.13 H new ATOM 0 HG3 GLU A 31 11.204 9.226 1.254 1.00 64.13 H new ATOM 467 N ASP A 32 13.513 4.924 2.054 1.00 5.11 N ATOM 468 CA ASP A 32 14.165 3.767 2.683 1.00 31.40 C ATOM 469 C ASP A 32 15.166 3.087 1.728 1.00 10.05 C ATOM 470 O ASP A 32 14.897 2.907 0.535 1.00 5.12 O ATOM 471 CB ASP A 32 13.115 2.757 3.163 1.00 44.40 C ATOM 472 CG ASP A 32 13.741 1.509 3.768 1.00 70.42 C ATOM 473 OD1 ASP A 32 14.741 1.637 4.509 1.00 54.32 O ATOM 474 OD2 ASP A 32 13.250 0.397 3.492 1.00 55.23 O ATOM 0 H ASP A 32 12.665 4.696 1.535 1.00 5.11 H new ATOM 0 HA ASP A 32 14.726 4.133 3.543 1.00 31.40 H new ATOM 0 HB2 ASP A 32 12.471 3.232 3.903 1.00 44.40 H new ATOM 0 HB3 ASP A 32 12.480 2.471 2.324 1.00 44.40 H new ATOM 479 N LYS A 33 16.323 2.705 2.271 1.00 30.13 N ATOM 480 CA LYS A 33 17.384 2.065 1.483 1.00 34.34 C ATOM 481 C LYS A 33 17.898 0.763 2.128 1.00 64.20 C ATOM 482 O LYS A 33 18.227 -0.196 1.424 1.00 24.31 O ATOM 483 CB LYS A 33 18.557 3.037 1.289 1.00 11.14 C ATOM 484 CG LYS A 33 18.184 4.322 0.552 1.00 54.43 C ATOM 485 CD LYS A 33 19.394 5.230 0.363 1.00 35.05 C ATOM 486 CE LYS A 33 19.036 6.508 -0.388 1.00 70.43 C ATOM 487 NZ LYS A 33 20.222 7.381 -0.595 1.00 53.35 N ATOM 0 H LYS A 33 16.552 2.827 3.257 1.00 30.13 H new ATOM 0 HA LYS A 33 16.948 1.804 0.519 1.00 34.34 H new ATOM 0 HB2 LYS A 33 18.966 3.296 2.266 1.00 11.14 H new ATOM 0 HB3 LYS A 33 19.348 2.530 0.736 1.00 11.14 H new ATOM 0 HG2 LYS A 33 17.758 4.074 -0.420 1.00 54.43 H new ATOM 0 HG3 LYS A 33 17.414 4.853 1.111 1.00 54.43 H new ATOM 0 HD2 LYS A 33 19.811 5.486 1.337 1.00 35.05 H new ATOM 0 HD3 LYS A 33 20.169 4.693 -0.184 1.00 35.05 H new ATOM 0 HE2 LYS A 33 18.601 6.252 -1.354 1.00 70.43 H new ATOM 0 HE3 LYS A 33 18.275 7.055 0.169 1.00 70.43 H new ATOM 0 HZ1 LYS A 33 19.936 8.239 -1.109 1.00 53.35 H new ATOM 0 HZ2 LYS A 33 20.622 7.647 0.327 1.00 53.35 H new ATOM 0 HZ3 LYS A 33 20.938 6.868 -1.148 1.00 53.35 H new ATOM 501 N ALA A 34 17.971 0.721 3.462 1.00 23.32 N ATOM 502 CA ALA A 34 18.575 -0.432 4.151 1.00 23.31 C ATOM 503 C ALA A 34 17.935 -0.748 5.516 1.00 34.43 C ATOM 504 O ALA A 34 18.511 -1.497 6.309 1.00 72.21 O ATOM 505 CB ALA A 34 20.071 -0.194 4.323 1.00 13.03 C ATOM 0 H ALA A 34 17.627 1.456 4.080 1.00 23.32 H new ATOM 0 HA ALA A 34 18.390 -1.302 3.521 1.00 23.31 H new ATOM 0 HB1 ALA A 34 20.519 -1.047 4.833 1.00 13.03 H new ATOM 0 HB2 ALA A 34 20.535 -0.072 3.344 1.00 13.03 H new ATOM 0 HB3 ALA A 34 20.230 0.707 4.915 1.00 13.03 H new ATOM 511 N PHE A 35 16.751 -0.210 5.793 1.00 14.44 N ATOM 512 CA PHE A 35 16.075 -0.481 7.070 1.00 10.34 C ATOM 513 C PHE A 35 15.244 -1.773 6.978 1.00 35.33 C ATOM 514 O PHE A 35 14.476 -1.959 6.028 1.00 34.53 O ATOM 515 CB PHE A 35 15.184 0.703 7.471 1.00 11.10 C ATOM 516 CG PHE A 35 14.621 0.596 8.869 1.00 2.20 C ATOM 517 CD1 PHE A 35 15.375 0.992 9.965 1.00 4.32 C ATOM 518 CD2 PHE A 35 13.347 0.094 9.087 1.00 75.05 C ATOM 519 CE1 PHE A 35 14.868 0.888 11.247 1.00 43.32 C ATOM 520 CE2 PHE A 35 12.836 -0.014 10.367 1.00 3.53 C ATOM 521 CZ PHE A 35 13.597 0.384 11.448 1.00 31.15 C ATOM 0 H PHE A 35 16.240 0.409 5.163 1.00 14.44 H new ATOM 0 HA PHE A 35 16.836 -0.615 7.839 1.00 10.34 H new ATOM 0 HB2 PHE A 35 15.762 1.624 7.391 1.00 11.10 H new ATOM 0 HB3 PHE A 35 14.360 0.782 6.762 1.00 11.10 H new ATOM 0 HD1 PHE A 35 16.369 1.386 9.815 1.00 4.32 H new ATOM 0 HD2 PHE A 35 12.746 -0.217 8.245 1.00 75.05 H new ATOM 0 HE1 PHE A 35 15.465 1.200 12.091 1.00 43.32 H new ATOM 0 HE2 PHE A 35 11.843 -0.409 10.521 1.00 3.53 H new ATOM 0 HZ PHE A 35 13.200 0.302 12.449 1.00 31.15 H new ATOM 531 N PRO A 36 15.385 -2.692 7.957 1.00 40.03 N ATOM 532 CA PRO A 36 14.659 -3.971 7.948 1.00 0.13 C ATOM 533 C PRO A 36 13.154 -3.812 8.235 1.00 13.22 C ATOM 534 O PRO A 36 12.699 -3.979 9.368 1.00 3.35 O ATOM 535 CB PRO A 36 15.357 -4.780 9.053 1.00 35.45 C ATOM 536 CG PRO A 36 15.883 -3.750 9.995 1.00 14.23 C ATOM 537 CD PRO A 36 16.268 -2.569 9.140 1.00 74.03 C ATOM 0 HA PRO A 36 14.690 -4.450 6.970 1.00 0.13 H new ATOM 0 HB2 PRO A 36 14.661 -5.455 9.551 1.00 35.45 H new ATOM 0 HB3 PRO A 36 16.161 -5.394 8.647 1.00 35.45 H new ATOM 0 HG2 PRO A 36 15.128 -3.471 10.730 1.00 14.23 H new ATOM 0 HG3 PRO A 36 16.742 -4.129 10.548 1.00 14.23 H new ATOM 0 HD2 PRO A 36 16.108 -1.626 9.663 1.00 74.03 H new ATOM 0 HD3 PRO A 36 17.321 -2.603 8.860 1.00 74.03 H new ATOM 545 N ARG A 37 12.390 -3.451 7.204 1.00 51.12 N ATOM 546 CA ARG A 37 10.930 -3.340 7.320 1.00 13.15 C ATOM 547 C ARG A 37 10.242 -4.698 7.083 1.00 25.35 C ATOM 548 O ARG A 37 9.129 -4.935 7.561 1.00 53.23 O ATOM 549 CB ARG A 37 10.396 -2.291 6.328 1.00 61.12 C ATOM 550 CG ARG A 37 10.855 -0.863 6.634 1.00 1.43 C ATOM 551 CD ARG A 37 10.324 0.145 5.614 1.00 12.41 C ATOM 552 NE ARG A 37 8.871 0.066 5.468 1.00 61.32 N ATOM 553 CZ ARG A 37 8.063 1.090 5.424 1.00 2.10 C ATOM 554 NH1 ARG A 37 8.516 2.302 5.531 1.00 2.21 N ATOM 555 NH2 ARG A 37 6.792 0.895 5.269 1.00 2.43 N ATOM 0 H ARG A 37 12.755 -3.230 6.278 1.00 51.12 H new ATOM 0 HA ARG A 37 10.698 -3.021 8.336 1.00 13.15 H new ATOM 0 HB2 ARG A 37 10.718 -2.559 5.322 1.00 61.12 H new ATOM 0 HB3 ARG A 37 9.306 -2.322 6.332 1.00 61.12 H new ATOM 0 HG2 ARG A 37 10.518 -0.580 7.631 1.00 1.43 H new ATOM 0 HG3 ARG A 37 11.944 -0.828 6.644 1.00 1.43 H new ATOM 0 HD2 ARG A 37 10.603 1.153 5.922 1.00 12.41 H new ATOM 0 HD3 ARG A 37 10.795 -0.035 4.648 1.00 12.41 H new ATOM 0 HE ARG A 37 8.456 -0.863 5.395 1.00 61.32 H new ATOM 0 HH11 ARG A 37 9.516 2.464 5.651 1.00 2.21 H new ATOM 0 HH12 ARG A 37 7.872 3.092 5.495 1.00 2.21 H new ATOM 0 HH21 ARG A 37 6.428 -0.054 5.182 1.00 2.43 H new ATOM 0 HH22 ARG A 37 6.155 1.691 5.234 1.00 2.43 H new ATOM 569 N LEU A 38 10.930 -5.590 6.361 1.00 11.20 N ATOM 570 CA LEU A 38 10.393 -6.914 5.998 1.00 72.31 C ATOM 571 C LEU A 38 9.132 -6.789 5.123 1.00 51.40 C ATOM 572 O LEU A 38 9.213 -6.883 3.902 1.00 55.03 O ATOM 573 CB LEU A 38 10.098 -7.772 7.249 1.00 41.54 C ATOM 574 CG LEU A 38 11.328 -8.353 7.982 1.00 0.35 C ATOM 575 CD1 LEU A 38 12.237 -7.246 8.515 1.00 63.34 C ATOM 576 CD2 LEU A 38 10.890 -9.275 9.119 1.00 12.41 C ATOM 0 H LEU A 38 11.873 -5.419 6.011 1.00 11.20 H new ATOM 0 HA LEU A 38 11.163 -7.420 5.416 1.00 72.31 H new ATOM 0 HB2 LEU A 38 9.533 -7.164 7.956 1.00 41.54 H new ATOM 0 HB3 LEU A 38 9.453 -8.599 6.953 1.00 41.54 H new ATOM 0 HG LEU A 38 11.899 -8.935 7.258 1.00 0.35 H new ATOM 0 HD11 LEU A 38 13.092 -7.691 9.025 1.00 63.34 H new ATOM 0 HD12 LEU A 38 12.588 -6.633 7.685 1.00 63.34 H new ATOM 0 HD13 LEU A 38 11.680 -6.624 9.216 1.00 63.34 H new ATOM 0 HD21 LEU A 38 11.770 -9.674 9.623 1.00 12.41 H new ATOM 0 HD22 LEU A 38 10.287 -8.712 9.832 1.00 12.41 H new ATOM 0 HD23 LEU A 38 10.300 -10.097 8.714 1.00 12.41 H new ATOM 588 N GLU A 39 7.976 -6.577 5.766 1.00 71.11 N ATOM 589 CA GLU A 39 6.687 -6.391 5.071 1.00 64.20 C ATOM 590 C GLU A 39 6.459 -7.422 3.942 1.00 74.41 C ATOM 591 O GLU A 39 5.760 -7.150 2.964 1.00 44.10 O ATOM 592 CB GLU A 39 6.603 -4.956 4.526 1.00 75.35 C ATOM 593 CG GLU A 39 6.653 -3.892 5.621 1.00 32.43 C ATOM 594 CD GLU A 39 6.677 -2.474 5.074 1.00 51.43 C ATOM 595 OE1 GLU A 39 7.625 -2.136 4.339 1.00 12.12 O ATOM 596 OE2 GLU A 39 5.772 -1.677 5.407 1.00 31.31 O ATOM 0 H GLU A 39 7.904 -6.529 6.782 1.00 71.11 H new ATOM 0 HA GLU A 39 5.892 -6.557 5.798 1.00 64.20 H new ATOM 0 HB2 GLU A 39 7.425 -4.790 3.830 1.00 75.35 H new ATOM 0 HB3 GLU A 39 5.678 -4.843 3.960 1.00 75.35 H new ATOM 0 HG2 GLU A 39 5.787 -4.009 6.273 1.00 32.43 H new ATOM 0 HG3 GLU A 39 7.539 -4.053 6.236 1.00 32.43 H new ATOM 603 N GLU A 40 7.021 -8.623 4.111 1.00 43.51 N ATOM 604 CA GLU A 40 6.914 -9.692 3.108 1.00 22.32 C ATOM 605 C GLU A 40 5.452 -9.991 2.730 1.00 71.43 C ATOM 606 O GLU A 40 5.148 -10.289 1.574 1.00 22.20 O ATOM 607 CB GLU A 40 7.608 -10.963 3.617 1.00 3.13 C ATOM 608 CG GLU A 40 7.088 -11.457 4.962 1.00 43.13 C ATOM 609 CD GLU A 40 7.825 -12.689 5.454 1.00 62.40 C ATOM 610 OE1 GLU A 40 8.886 -12.539 6.101 1.00 72.52 O ATOM 611 OE2 GLU A 40 7.352 -13.816 5.197 1.00 63.31 O ATOM 0 H GLU A 40 7.559 -8.882 4.938 1.00 43.51 H new ATOM 0 HA GLU A 40 7.414 -9.345 2.204 1.00 22.32 H new ATOM 0 HB2 GLU A 40 7.482 -11.754 2.878 1.00 3.13 H new ATOM 0 HB3 GLU A 40 8.678 -10.772 3.701 1.00 3.13 H new ATOM 0 HG2 GLU A 40 7.185 -10.661 5.700 1.00 43.13 H new ATOM 0 HG3 GLU A 40 6.025 -11.684 4.876 1.00 43.13 H new ATOM 618 N ARG A 41 4.550 -9.924 3.704 1.00 13.34 N ATOM 619 CA ARG A 41 3.115 -10.041 3.426 1.00 65.31 C ATOM 620 C ARG A 41 2.552 -8.701 2.934 1.00 61.11 C ATOM 621 O ARG A 41 2.468 -7.738 3.693 1.00 0.11 O ATOM 622 CB ARG A 41 2.353 -10.512 4.674 1.00 53.44 C ATOM 623 CG ARG A 41 2.438 -12.013 4.932 1.00 70.42 C ATOM 624 CD ARG A 41 1.705 -12.813 3.856 1.00 65.44 C ATOM 625 NE ARG A 41 1.643 -14.241 4.168 1.00 33.33 N ATOM 626 CZ ARG A 41 0.953 -15.114 3.481 1.00 61.32 C ATOM 627 NH1 ARG A 41 0.310 -14.758 2.415 1.00 51.22 N ATOM 628 NH2 ARG A 41 0.931 -16.350 3.855 1.00 72.34 N ATOM 0 H ARG A 41 4.781 -9.790 4.688 1.00 13.34 H new ATOM 0 HA ARG A 41 2.982 -10.786 2.641 1.00 65.31 H new ATOM 0 HB2 ARG A 41 2.742 -9.983 5.544 1.00 53.44 H new ATOM 0 HB3 ARG A 41 1.305 -10.231 4.573 1.00 53.44 H new ATOM 0 HG2 ARG A 41 3.484 -12.318 4.964 1.00 70.42 H new ATOM 0 HG3 ARG A 41 2.010 -12.239 5.909 1.00 70.42 H new ATOM 0 HD2 ARG A 41 0.693 -12.424 3.744 1.00 65.44 H new ATOM 0 HD3 ARG A 41 2.207 -12.674 2.899 1.00 65.44 H new ATOM 0 HE ARG A 41 2.172 -14.577 4.973 1.00 33.33 H new ATOM 0 HH11 ARG A 41 0.338 -13.787 2.103 1.00 51.22 H new ATOM 0 HH12 ARG A 41 -0.225 -15.448 1.888 1.00 51.22 H new ATOM 0 HH21 ARG A 41 1.450 -16.642 4.683 1.00 72.34 H new ATOM 0 HH22 ARG A 41 0.394 -17.035 3.322 1.00 72.34 H new ATOM 642 N HIS A 42 2.145 -8.652 1.669 1.00 51.30 N ATOM 643 CA HIS A 42 1.678 -7.402 1.048 1.00 30.12 C ATOM 644 C HIS A 42 0.465 -6.776 1.776 1.00 22.34 C ATOM 645 O HIS A 42 0.080 -5.646 1.480 1.00 13.14 O ATOM 646 CB HIS A 42 1.336 -7.642 -0.430 1.00 23.04 C ATOM 647 CG HIS A 42 2.528 -7.986 -1.283 1.00 64.00 C ATOM 648 ND1 HIS A 42 2.619 -9.146 -2.027 1.00 73.51 N ATOM 649 CD2 HIS A 42 3.670 -7.298 -1.532 1.00 71.44 C ATOM 650 CE1 HIS A 42 3.759 -9.157 -2.689 1.00 21.40 C ATOM 651 NE2 HIS A 42 4.414 -8.050 -2.408 1.00 22.02 N ATOM 0 H HIS A 42 2.127 -9.461 1.048 1.00 51.30 H new ATOM 0 HA HIS A 42 2.497 -6.688 1.131 1.00 30.12 H new ATOM 0 HB2 HIS A 42 0.608 -8.450 -0.498 1.00 23.04 H new ATOM 0 HB3 HIS A 42 0.859 -6.748 -0.832 1.00 23.04 H new ATOM 0 HD2 HIS A 42 3.943 -6.338 -1.119 1.00 71.44 H new ATOM 0 HE1 HIS A 42 4.098 -9.941 -3.350 1.00 21.40 H new ATOM 0 HE2 HIS A 42 5.328 -7.792 -2.781 1.00 22.02 H new ATOM 660 N GLN A 43 -0.131 -7.510 2.718 1.00 42.23 N ATOM 661 CA GLN A 43 -1.263 -6.996 3.505 1.00 40.14 C ATOM 662 C GLN A 43 -0.785 -6.320 4.810 1.00 73.33 C ATOM 663 O GLN A 43 -1.292 -5.265 5.193 1.00 65.53 O ATOM 664 CB GLN A 43 -2.245 -8.136 3.830 1.00 3.00 C ATOM 665 CG GLN A 43 -3.499 -7.694 4.590 1.00 32.33 C ATOM 666 CD GLN A 43 -4.387 -6.755 3.785 1.00 22.12 C ATOM 667 OE1 GLN A 43 -4.237 -5.542 3.833 1.00 13.54 O ATOM 668 NE2 GLN A 43 -5.323 -7.308 3.039 1.00 43.35 N ATOM 0 H GLN A 43 0.148 -8.461 2.957 1.00 42.23 H new ATOM 0 HA GLN A 43 -1.772 -6.243 2.904 1.00 40.14 H new ATOM 0 HB2 GLN A 43 -2.549 -8.614 2.899 1.00 3.00 H new ATOM 0 HB3 GLN A 43 -1.724 -8.890 4.420 1.00 3.00 H new ATOM 0 HG2 GLN A 43 -4.075 -8.575 4.872 1.00 32.33 H new ATOM 0 HG3 GLN A 43 -3.201 -7.199 5.514 1.00 32.33 H new ATOM 0 HE21 GLN A 43 -5.425 -8.323 3.018 1.00 43.35 H new ATOM 0 HE22 GLN A 43 -5.945 -6.721 2.483 1.00 43.35 H new ATOM 677 N VAL A 44 0.210 -6.918 5.478 1.00 3.14 N ATOM 678 CA VAL A 44 0.695 -6.394 6.767 1.00 51.42 C ATOM 679 C VAL A 44 1.335 -5.006 6.625 1.00 14.44 C ATOM 680 O VAL A 44 1.457 -4.273 7.609 1.00 34.03 O ATOM 681 CB VAL A 44 1.708 -7.350 7.454 1.00 23.42 C ATOM 682 CG1 VAL A 44 1.098 -8.735 7.647 1.00 12.40 C ATOM 683 CG2 VAL A 44 3.019 -7.430 6.670 1.00 45.25 C ATOM 0 H VAL A 44 0.692 -7.756 5.154 1.00 3.14 H new ATOM 0 HA VAL A 44 -0.192 -6.314 7.396 1.00 51.42 H new ATOM 0 HB VAL A 44 1.940 -6.941 8.437 1.00 23.42 H new ATOM 0 HG11 VAL A 44 1.825 -9.389 8.130 1.00 12.40 H new ATOM 0 HG12 VAL A 44 0.208 -8.657 8.272 1.00 12.40 H new ATOM 0 HG13 VAL A 44 0.824 -9.150 6.677 1.00 12.40 H new ATOM 0 HG21 VAL A 44 3.706 -8.107 7.178 1.00 45.25 H new ATOM 0 HG22 VAL A 44 2.820 -7.802 5.665 1.00 45.25 H new ATOM 0 HG23 VAL A 44 3.467 -6.438 6.608 1.00 45.25 H new ATOM 693 N ILE A 45 1.744 -4.653 5.401 1.00 52.11 N ATOM 694 CA ILE A 45 2.286 -3.315 5.111 1.00 14.34 C ATOM 695 C ILE A 45 1.349 -2.223 5.652 1.00 13.21 C ATOM 696 O ILE A 45 1.785 -1.252 6.274 1.00 33.12 O ATOM 697 CB ILE A 45 2.471 -3.110 3.583 1.00 71.14 C ATOM 698 CG1 ILE A 45 3.361 -4.216 2.996 1.00 53.34 C ATOM 699 CG2 ILE A 45 3.055 -1.727 3.286 1.00 25.22 C ATOM 700 CD1 ILE A 45 3.598 -4.091 1.503 1.00 34.52 C ATOM 0 H ILE A 45 1.711 -5.274 4.593 1.00 52.11 H new ATOM 0 HA ILE A 45 3.256 -3.240 5.603 1.00 14.34 H new ATOM 0 HB ILE A 45 1.492 -3.170 3.108 1.00 71.14 H new ATOM 0 HG12 ILE A 45 4.323 -4.204 3.508 1.00 53.34 H new ATOM 0 HG13 ILE A 45 2.903 -5.184 3.201 1.00 53.34 H new ATOM 0 HG21 ILE A 45 3.176 -1.607 2.209 1.00 25.22 H new ATOM 0 HG22 ILE A 45 2.381 -0.958 3.664 1.00 25.22 H new ATOM 0 HG23 ILE A 45 4.025 -1.630 3.773 1.00 25.22 H new ATOM 0 HD11 ILE A 45 4.235 -4.909 1.166 1.00 34.52 H new ATOM 0 HD12 ILE A 45 2.644 -4.135 0.978 1.00 34.52 H new ATOM 0 HD13 ILE A 45 4.086 -3.140 1.290 1.00 34.52 H new ATOM 712 N ARG A 46 0.050 -2.424 5.425 1.00 21.35 N ATOM 713 CA ARG A 46 -0.993 -1.510 5.895 1.00 45.43 C ATOM 714 C ARG A 46 -0.903 -1.287 7.418 1.00 41.14 C ATOM 715 O ARG A 46 -0.985 -0.158 7.900 1.00 32.31 O ATOM 716 CB ARG A 46 -2.361 -2.089 5.509 1.00 21.02 C ATOM 717 CG ARG A 46 -3.563 -1.241 5.912 1.00 10.23 C ATOM 718 CD ARG A 46 -4.857 -1.890 5.436 1.00 52.13 C ATOM 719 NE ARG A 46 -6.045 -1.153 5.851 1.00 14.54 N ATOM 720 CZ ARG A 46 -7.254 -1.437 5.450 1.00 14.41 C ATOM 721 NH1 ARG A 46 -7.455 -2.408 4.615 1.00 22.14 N ATOM 722 NH2 ARG A 46 -8.264 -0.765 5.893 1.00 72.12 N ATOM 0 H ARG A 46 -0.310 -3.227 4.909 1.00 21.35 H new ATOM 0 HA ARG A 46 -0.856 -0.537 5.423 1.00 45.43 H new ATOM 0 HB2 ARG A 46 -2.385 -2.234 4.429 1.00 21.02 H new ATOM 0 HB3 ARG A 46 -2.462 -3.074 5.965 1.00 21.02 H new ATOM 0 HG2 ARG A 46 -3.585 -1.123 6.995 1.00 10.23 H new ATOM 0 HG3 ARG A 46 -3.471 -0.243 5.484 1.00 10.23 H new ATOM 0 HD2 ARG A 46 -4.842 -1.964 4.349 1.00 52.13 H new ATOM 0 HD3 ARG A 46 -4.912 -2.907 5.824 1.00 52.13 H new ATOM 0 HE ARG A 46 -5.924 -0.369 6.493 1.00 14.54 H new ATOM 0 HH11 ARG A 46 -6.666 -2.954 4.268 1.00 22.14 H new ATOM 0 HH12 ARG A 46 -8.402 -2.626 4.305 1.00 22.14 H new ATOM 0 HH21 ARG A 46 -8.119 -0.007 6.560 1.00 72.12 H new ATOM 0 HH22 ARG A 46 -9.206 -0.992 5.576 1.00 72.12 H new ATOM 736 N ALA A 47 -0.713 -2.370 8.170 1.00 72.03 N ATOM 737 CA ALA A 47 -0.593 -2.289 9.632 1.00 62.21 C ATOM 738 C ALA A 47 0.740 -1.649 10.060 1.00 72.51 C ATOM 739 O ALA A 47 0.776 -0.774 10.931 1.00 31.31 O ATOM 740 CB ALA A 47 -0.739 -3.677 10.247 1.00 13.32 C ATOM 0 H ALA A 47 -0.638 -3.316 7.795 1.00 72.03 H new ATOM 0 HA ALA A 47 -1.396 -1.649 9.998 1.00 62.21 H new ATOM 0 HB1 ALA A 47 -0.648 -3.606 11.331 1.00 13.32 H new ATOM 0 HB2 ALA A 47 -1.716 -4.088 9.991 1.00 13.32 H new ATOM 0 HB3 ALA A 47 0.043 -4.331 9.860 1.00 13.32 H new ATOM 746 N TYR A 48 1.833 -2.082 9.428 1.00 62.42 N ATOM 747 CA TYR A 48 3.179 -1.596 9.755 1.00 20.03 C ATOM 748 C TYR A 48 3.278 -0.070 9.598 1.00 24.33 C ATOM 749 O TYR A 48 3.755 0.629 10.495 1.00 1.12 O ATOM 750 CB TYR A 48 4.217 -2.294 8.856 1.00 25.35 C ATOM 751 CG TYR A 48 5.660 -1.969 9.203 1.00 2.42 C ATOM 752 CD1 TYR A 48 6.340 -2.695 10.175 1.00 2.34 C ATOM 753 CD2 TYR A 48 6.342 -0.946 8.553 1.00 1.24 C ATOM 754 CE1 TYR A 48 7.654 -2.407 10.491 1.00 54.44 C ATOM 755 CE2 TYR A 48 7.655 -0.653 8.865 1.00 50.20 C ATOM 756 CZ TYR A 48 8.307 -1.387 9.833 1.00 41.13 C ATOM 757 OH TYR A 48 9.618 -1.105 10.144 1.00 52.11 O ATOM 0 H TYR A 48 1.813 -2.775 8.680 1.00 62.42 H new ATOM 0 HA TYR A 48 3.384 -1.835 10.798 1.00 20.03 H new ATOM 0 HB2 TYR A 48 4.073 -3.372 8.923 1.00 25.35 H new ATOM 0 HB3 TYR A 48 4.032 -2.012 7.820 1.00 25.35 H new ATOM 0 HD1 TYR A 48 5.833 -3.497 10.691 1.00 2.34 H new ATOM 0 HD2 TYR A 48 5.836 -0.371 7.791 1.00 1.24 H new ATOM 0 HE1 TYR A 48 8.167 -2.979 11.250 1.00 54.44 H new ATOM 0 HE2 TYR A 48 8.169 0.147 8.353 1.00 50.20 H new ATOM 0 HH TYR A 48 10.068 -1.924 10.438 1.00 52.11 H new ATOM 767 N VAL A 49 2.810 0.444 8.465 1.00 5.11 N ATOM 768 CA VAL A 49 2.867 1.883 8.197 1.00 64.02 C ATOM 769 C VAL A 49 1.980 2.695 9.163 1.00 0.41 C ATOM 770 O VAL A 49 2.403 3.735 9.664 1.00 4.12 O ATOM 771 CB VAL A 49 2.481 2.209 6.732 1.00 4.04 C ATOM 772 CG1 VAL A 49 3.431 1.517 5.755 1.00 35.12 C ATOM 773 CG2 VAL A 49 1.032 1.830 6.446 1.00 34.00 C ATOM 0 H VAL A 49 2.388 -0.109 7.719 1.00 5.11 H new ATOM 0 HA VAL A 49 3.904 2.178 8.361 1.00 64.02 H new ATOM 0 HB VAL A 49 2.575 3.286 6.592 1.00 4.04 H new ATOM 0 HG11 VAL A 49 3.142 1.760 4.733 1.00 35.12 H new ATOM 0 HG12 VAL A 49 4.450 1.859 5.934 1.00 35.12 H new ATOM 0 HG13 VAL A 49 3.380 0.438 5.900 1.00 35.12 H new ATOM 0 HG21 VAL A 49 0.791 2.071 5.411 1.00 34.00 H new ATOM 0 HG22 VAL A 49 0.896 0.761 6.611 1.00 34.00 H new ATOM 0 HG23 VAL A 49 0.372 2.387 7.111 1.00 34.00 H new ATOM 783 N MET A 50 0.762 2.215 9.439 1.00 74.43 N ATOM 784 CA MET A 50 -0.153 2.917 10.359 1.00 63.41 C ATOM 785 C MET A 50 0.422 2.997 11.783 1.00 14.52 C ATOM 786 O MET A 50 0.149 3.943 12.521 1.00 3.01 O ATOM 787 CB MET A 50 -1.529 2.232 10.392 1.00 63.44 C ATOM 788 CG MET A 50 -2.291 2.313 9.075 1.00 4.51 C ATOM 789 SD MET A 50 -3.990 1.711 9.212 1.00 34.14 S ATOM 790 CE MET A 50 -3.726 0.021 9.750 1.00 3.42 C ATOM 0 H MET A 50 0.386 1.353 9.045 1.00 74.43 H new ATOM 0 HA MET A 50 -0.269 3.933 9.981 1.00 63.41 H new ATOM 0 HB2 MET A 50 -1.396 1.184 10.659 1.00 63.44 H new ATOM 0 HB3 MET A 50 -2.132 2.687 11.178 1.00 63.44 H new ATOM 0 HG2 MET A 50 -2.303 3.347 8.730 1.00 4.51 H new ATOM 0 HG3 MET A 50 -1.764 1.731 8.319 1.00 4.51 H new ATOM 0 HE1 MET A 50 -4.680 -0.506 9.774 1.00 3.42 H new ATOM 0 HE2 MET A 50 -3.051 -0.480 9.056 1.00 3.42 H new ATOM 0 HE3 MET A 50 -3.287 0.021 10.748 1.00 3.42 H new ATOM 800 N SER A 51 1.228 2.006 12.155 1.00 63.12 N ATOM 801 CA SER A 51 1.851 1.963 13.489 1.00 22.33 C ATOM 802 C SER A 51 2.967 3.017 13.649 1.00 52.23 C ATOM 803 O SER A 51 3.493 3.221 14.748 1.00 73.34 O ATOM 804 CB SER A 51 2.420 0.561 13.752 1.00 35.42 C ATOM 805 OG SER A 51 2.991 0.464 15.048 1.00 14.24 O ATOM 0 H SER A 51 1.470 1.217 11.555 1.00 63.12 H new ATOM 0 HA SER A 51 1.075 2.195 14.219 1.00 22.33 H new ATOM 0 HB2 SER A 51 1.627 -0.180 13.647 1.00 35.42 H new ATOM 0 HB3 SER A 51 3.176 0.328 13.002 1.00 35.42 H new ATOM 0 HG SER A 51 3.193 1.362 15.385 1.00 14.24 H new ATOM 811 N ASN A 52 3.320 3.689 12.550 1.00 62.35 N ATOM 812 CA ASN A 52 4.410 4.683 12.553 1.00 13.21 C ATOM 813 C ASN A 52 3.952 6.062 12.040 1.00 0.54 C ATOM 814 O ASN A 52 4.203 7.085 12.679 1.00 15.21 O ATOM 815 CB ASN A 52 5.580 4.178 11.697 1.00 65.04 C ATOM 816 CG ASN A 52 6.286 2.986 12.317 1.00 22.01 C ATOM 817 OD1 ASN A 52 7.247 3.141 13.064 1.00 0.41 O ATOM 818 ND2 ASN A 52 5.821 1.791 12.021 1.00 30.42 N ATOM 0 H ASN A 52 2.869 3.566 11.643 1.00 62.35 H new ATOM 0 HA ASN A 52 4.728 4.808 13.588 1.00 13.21 H new ATOM 0 HB2 ASN A 52 5.210 3.903 10.709 1.00 65.04 H new ATOM 0 HB3 ASN A 52 6.297 4.987 11.555 1.00 65.04 H new ATOM 0 HD21 ASN A 52 6.261 0.960 12.416 1.00 30.42 H new ATOM 0 HD22 ASN A 52 5.020 1.696 11.397 1.00 30.42 H new ATOM 825 N TYR A 53 3.283 6.084 10.887 1.00 72.54 N ATOM 826 CA TYR A 53 2.903 7.344 10.231 1.00 32.20 C ATOM 827 C TYR A 53 1.862 8.132 11.046 1.00 1.20 C ATOM 828 O TYR A 53 0.901 7.568 11.572 1.00 10.50 O ATOM 829 CB TYR A 53 2.383 7.070 8.813 1.00 24.35 C ATOM 830 CG TYR A 53 3.403 6.406 7.892 1.00 25.10 C ATOM 831 CD1 TYR A 53 4.741 6.272 8.267 1.00 63.02 C ATOM 832 CD2 TYR A 53 3.024 5.911 6.650 1.00 11.42 C ATOM 833 CE1 TYR A 53 5.662 5.665 7.433 1.00 55.53 C ATOM 834 CE2 TYR A 53 3.941 5.301 5.811 1.00 73.52 C ATOM 835 CZ TYR A 53 5.258 5.181 6.207 1.00 45.30 C ATOM 836 OH TYR A 53 6.176 4.571 5.373 1.00 23.03 O ATOM 0 H TYR A 53 2.991 5.246 10.385 1.00 72.54 H new ATOM 0 HA TYR A 53 3.798 7.963 10.170 1.00 32.20 H new ATOM 0 HB2 TYR A 53 1.500 6.434 8.878 1.00 24.35 H new ATOM 0 HB3 TYR A 53 2.065 8.012 8.366 1.00 24.35 H new ATOM 0 HD1 TYR A 53 5.063 6.649 9.226 1.00 63.02 H new ATOM 0 HD2 TYR A 53 1.996 6.004 6.334 1.00 11.42 H new ATOM 0 HE1 TYR A 53 6.693 5.571 7.741 1.00 55.53 H new ATOM 0 HE2 TYR A 53 3.627 4.920 4.850 1.00 73.52 H new ATOM 0 HH TYR A 53 7.064 4.957 5.525 1.00 23.03 H new ATOM 846 N THR A 54 2.065 9.448 11.133 1.00 2.52 N ATOM 847 CA THR A 54 1.242 10.318 11.992 1.00 44.21 C ATOM 848 C THR A 54 0.143 11.077 11.220 1.00 45.35 C ATOM 849 O THR A 54 -0.960 11.270 11.733 1.00 14.43 O ATOM 850 CB THR A 54 2.126 11.350 12.740 1.00 75.32 C ATOM 851 OG1 THR A 54 1.314 12.240 13.526 1.00 62.51 O ATOM 852 CG2 THR A 54 2.975 12.160 11.766 1.00 73.22 C ATOM 0 H THR A 54 2.795 9.941 10.619 1.00 2.52 H new ATOM 0 HA THR A 54 0.752 9.650 12.700 1.00 44.21 H new ATOM 0 HB THR A 54 2.790 10.793 13.401 1.00 75.32 H new ATOM 0 HG1 THR A 54 1.889 12.883 13.991 1.00 62.51 H new ATOM 0 HG21 THR A 54 3.583 12.874 12.321 1.00 73.22 H new ATOM 0 HG22 THR A 54 3.625 11.489 11.205 1.00 73.22 H new ATOM 0 HG23 THR A 54 2.324 12.697 11.075 1.00 73.22 H new ATOM 860 N ASP A 55 0.438 11.506 9.994 1.00 64.25 N ATOM 861 CA ASP A 55 -0.500 12.338 9.224 1.00 73.43 C ATOM 862 C ASP A 55 -1.630 11.512 8.578 1.00 22.45 C ATOM 863 O ASP A 55 -1.462 10.331 8.266 1.00 63.12 O ATOM 864 CB ASP A 55 0.252 13.133 8.151 1.00 23.22 C ATOM 865 CG ASP A 55 -0.664 14.080 7.391 1.00 21.11 C ATOM 866 OD1 ASP A 55 -1.014 15.141 7.943 1.00 0.55 O ATOM 867 OD2 ASP A 55 -1.048 13.759 6.246 1.00 44.42 O ATOM 0 H ASP A 55 1.311 11.296 9.511 1.00 64.25 H new ATOM 0 HA ASP A 55 -0.967 13.027 9.928 1.00 73.43 H new ATOM 0 HB2 ASP A 55 1.054 13.704 8.619 1.00 23.22 H new ATOM 0 HB3 ASP A 55 0.720 12.442 7.450 1.00 23.22 H new ATOM 872 N HIS A 56 -2.778 12.162 8.363 1.00 64.13 N ATOM 873 CA HIS A 56 -3.958 11.508 7.789 1.00 63.43 C ATOM 874 C HIS A 56 -3.678 10.932 6.388 1.00 12.22 C ATOM 875 O HIS A 56 -4.000 9.780 6.122 1.00 72.04 O ATOM 876 CB HIS A 56 -5.131 12.504 7.718 1.00 0.11 C ATOM 877 CG HIS A 56 -6.426 11.977 8.263 1.00 34.24 C ATOM 878 ND1 HIS A 56 -7.355 11.294 7.504 1.00 75.14 N ATOM 879 CD2 HIS A 56 -6.949 12.047 9.510 1.00 63.04 C ATOM 880 CE1 HIS A 56 -8.386 10.974 8.256 1.00 31.23 C ATOM 881 NE2 HIS A 56 -8.167 11.415 9.477 1.00 62.23 N ATOM 0 H HIS A 56 -2.915 13.149 8.580 1.00 64.13 H new ATOM 0 HA HIS A 56 -4.219 10.675 8.442 1.00 63.43 H new ATOM 0 HB2 HIS A 56 -4.860 13.406 8.267 1.00 0.11 H new ATOM 0 HB3 HIS A 56 -5.281 12.797 6.679 1.00 0.11 H new ATOM 0 HD1 HIS A 56 -7.257 11.072 6.513 1.00 75.14 H new ATOM 0 HD2 HIS A 56 -6.493 12.513 10.371 1.00 63.04 H new ATOM 0 HE1 HIS A 56 -9.265 10.439 7.927 1.00 31.23 H new ATOM 890 N GLN A 57 -3.075 11.735 5.504 1.00 63.22 N ATOM 891 CA GLN A 57 -2.854 11.329 4.100 1.00 34.35 C ATOM 892 C GLN A 57 -1.895 10.133 3.975 1.00 23.04 C ATOM 893 O GLN A 57 -2.056 9.291 3.089 1.00 34.22 O ATOM 894 CB GLN A 57 -2.321 12.509 3.273 1.00 4.13 C ATOM 895 CG GLN A 57 -3.334 13.636 3.075 1.00 30.04 C ATOM 896 CD GLN A 57 -4.476 13.274 2.131 1.00 73.22 C ATOM 897 OE1 GLN A 57 -4.883 12.121 2.023 1.00 25.23 O ATOM 898 NE2 GLN A 57 -5.005 14.265 1.441 1.00 70.24 N ATOM 0 H GLN A 57 -2.730 12.668 5.729 1.00 63.22 H new ATOM 0 HA GLN A 57 -3.823 11.016 3.710 1.00 34.35 H new ATOM 0 HB2 GLN A 57 -1.435 12.912 3.763 1.00 4.13 H new ATOM 0 HB3 GLN A 57 -2.005 12.142 2.296 1.00 4.13 H new ATOM 0 HG2 GLN A 57 -3.749 13.914 4.044 1.00 30.04 H new ATOM 0 HG3 GLN A 57 -2.817 14.513 2.686 1.00 30.04 H new ATOM 0 HE21 GLN A 57 -4.645 15.213 1.552 1.00 70.24 H new ATOM 0 HE22 GLN A 57 -5.774 14.084 0.796 1.00 70.24 H new ATOM 907 N LEU A 58 -0.897 10.064 4.854 1.00 10.42 N ATOM 908 CA LEU A 58 0.054 8.943 4.853 1.00 2.41 C ATOM 909 C LEU A 58 -0.667 7.607 5.104 1.00 53.13 C ATOM 910 O LEU A 58 -0.388 6.597 4.455 1.00 70.44 O ATOM 911 CB LEU A 58 1.133 9.166 5.922 1.00 13.21 C ATOM 912 CG LEU A 58 1.998 10.426 5.736 1.00 25.50 C ATOM 913 CD1 LEU A 58 2.998 10.566 6.882 1.00 71.10 C ATOM 914 CD2 LEU A 58 2.716 10.396 4.383 1.00 1.01 C ATOM 0 H LEU A 58 -0.722 10.765 5.574 1.00 10.42 H new ATOM 0 HA LEU A 58 0.525 8.898 3.871 1.00 2.41 H new ATOM 0 HB2 LEU A 58 0.649 9.219 6.897 1.00 13.21 H new ATOM 0 HB3 LEU A 58 1.789 8.295 5.939 1.00 13.21 H new ATOM 0 HG LEU A 58 1.343 11.297 5.750 1.00 25.50 H new ATOM 0 HD11 LEU A 58 3.600 11.462 6.732 1.00 71.10 H new ATOM 0 HD12 LEU A 58 2.460 10.644 7.827 1.00 71.10 H new ATOM 0 HD13 LEU A 58 3.649 9.692 6.906 1.00 71.10 H new ATOM 0 HD21 LEU A 58 3.321 11.296 4.272 1.00 1.01 H new ATOM 0 HD22 LEU A 58 3.359 9.517 4.332 1.00 1.01 H new ATOM 0 HD23 LEU A 58 1.979 10.354 3.581 1.00 1.01 H new ATOM 926 N ILE A 59 -1.599 7.620 6.050 1.00 32.04 N ATOM 927 CA ILE A 59 -2.419 6.445 6.358 1.00 33.13 C ATOM 928 C ILE A 59 -3.554 6.274 5.330 1.00 4.14 C ATOM 929 O ILE A 59 -3.872 5.158 4.912 1.00 54.04 O ATOM 930 CB ILE A 59 -3.023 6.561 7.785 1.00 22.03 C ATOM 931 CG1 ILE A 59 -1.898 6.674 8.830 1.00 23.33 C ATOM 932 CG2 ILE A 59 -3.934 5.374 8.094 1.00 42.14 C ATOM 933 CD1 ILE A 59 -2.391 6.821 10.258 1.00 0.03 C ATOM 0 H ILE A 59 -1.810 8.437 6.624 1.00 32.04 H new ATOM 0 HA ILE A 59 -1.772 5.569 6.311 1.00 33.13 H new ATOM 0 HB ILE A 59 -3.631 7.465 7.828 1.00 22.03 H new ATOM 0 HG12 ILE A 59 -1.266 5.789 8.765 1.00 23.33 H new ATOM 0 HG13 ILE A 59 -1.272 7.532 8.583 1.00 23.33 H new ATOM 0 HG21 ILE A 59 -4.343 5.481 9.099 1.00 42.14 H new ATOM 0 HG22 ILE A 59 -4.750 5.344 7.372 1.00 42.14 H new ATOM 0 HG23 ILE A 59 -3.360 4.449 8.032 1.00 42.14 H new ATOM 0 HD11 ILE A 59 -1.537 6.894 10.932 1.00 0.03 H new ATOM 0 HD12 ILE A 59 -2.998 7.722 10.342 1.00 0.03 H new ATOM 0 HD13 ILE A 59 -2.992 5.952 10.527 1.00 0.03 H new ATOM 945 N GLU A 60 -4.132 7.398 4.912 1.00 52.44 N ATOM 946 CA GLU A 60 -5.267 7.418 3.980 1.00 73.53 C ATOM 947 C GLU A 60 -4.896 6.773 2.637 1.00 1.55 C ATOM 948 O GLU A 60 -5.555 5.835 2.174 1.00 72.45 O ATOM 949 CB GLU A 60 -5.709 8.873 3.747 1.00 4.30 C ATOM 950 CG GLU A 60 -7.122 9.019 3.201 1.00 54.50 C ATOM 951 CD GLU A 60 -8.175 8.664 4.234 1.00 60.31 C ATOM 952 OE1 GLU A 60 -8.390 9.467 5.166 1.00 10.35 O ATOM 953 OE2 GLU A 60 -8.785 7.577 4.128 1.00 12.01 O ATOM 0 H GLU A 60 -3.829 8.326 5.209 1.00 52.44 H new ATOM 0 HA GLU A 60 -6.083 6.844 4.419 1.00 73.53 H new ATOM 0 HB2 GLU A 60 -5.638 9.417 4.689 1.00 4.30 H new ATOM 0 HB3 GLU A 60 -5.013 9.345 3.053 1.00 4.30 H new ATOM 0 HG2 GLU A 60 -7.276 10.045 2.865 1.00 54.50 H new ATOM 0 HG3 GLU A 60 -7.241 8.377 2.328 1.00 54.50 H new ATOM 960 N THR A 61 -3.831 7.287 2.024 1.00 1.22 N ATOM 961 CA THR A 61 -3.323 6.756 0.754 1.00 14.24 C ATOM 962 C THR A 61 -3.096 5.242 0.834 1.00 52.14 C ATOM 963 O THR A 61 -3.475 4.499 -0.072 1.00 34.44 O ATOM 964 CB THR A 61 -1.992 7.443 0.356 1.00 32.31 C ATOM 965 OG1 THR A 61 -2.200 8.851 0.167 1.00 12.43 O ATOM 966 CG2 THR A 61 -1.407 6.839 -0.915 1.00 54.34 C ATOM 0 H THR A 61 -3.298 8.077 2.388 1.00 1.22 H new ATOM 0 HA THR A 61 -4.079 6.965 -0.003 1.00 14.24 H new ATOM 0 HB THR A 61 -1.282 7.282 1.167 1.00 32.31 H new ATOM 0 HG1 THR A 61 -2.171 9.305 1.035 1.00 12.43 H new ATOM 0 HG21 THR A 61 -0.474 7.346 -1.163 1.00 54.34 H new ATOM 0 HG22 THR A 61 -1.213 5.778 -0.758 1.00 54.34 H new ATOM 0 HG23 THR A 61 -2.115 6.960 -1.735 1.00 54.34 H new ATOM 974 N THR A 62 -2.489 4.794 1.931 1.00 4.44 N ATOM 975 CA THR A 62 -2.218 3.367 2.147 1.00 75.43 C ATOM 976 C THR A 62 -3.516 2.546 2.214 1.00 30.12 C ATOM 977 O THR A 62 -3.644 1.519 1.550 1.00 35.11 O ATOM 978 CB THR A 62 -1.407 3.129 3.446 1.00 5.13 C ATOM 979 OG1 THR A 62 -0.172 3.862 3.400 1.00 71.11 O ATOM 980 CG2 THR A 62 -1.108 1.646 3.640 1.00 72.24 C ATOM 0 H THR A 62 -2.173 5.398 2.689 1.00 4.44 H new ATOM 0 HA THR A 62 -1.629 3.036 1.291 1.00 75.43 H new ATOM 0 HB THR A 62 -2.008 3.478 4.286 1.00 5.13 H new ATOM 0 HG1 THR A 62 -0.312 4.762 3.763 1.00 71.11 H new ATOM 0 HG21 THR A 62 -0.538 1.507 4.559 1.00 72.24 H new ATOM 0 HG22 THR A 62 -2.044 1.092 3.706 1.00 72.24 H new ATOM 0 HG23 THR A 62 -0.528 1.278 2.794 1.00 72.24 H new ATOM 988 N ASN A 63 -4.478 3.011 3.011 1.00 22.34 N ATOM 989 CA ASN A 63 -5.763 2.314 3.171 1.00 52.54 C ATOM 990 C ASN A 63 -6.505 2.155 1.830 1.00 4.03 C ATOM 991 O ASN A 63 -7.134 1.125 1.575 1.00 65.14 O ATOM 992 CB ASN A 63 -6.646 3.055 4.182 1.00 2.21 C ATOM 993 CG ASN A 63 -6.086 2.998 5.592 1.00 51.21 C ATOM 994 OD1 ASN A 63 -6.355 4.014 6.385 1.00 14.21 O flip ATOM 995 ND2 ASN A 63 -5.427 2.035 5.977 1.00 13.44 N flip ATOM 0 H ASN A 63 -4.396 3.868 3.558 1.00 22.34 H new ATOM 0 HA ASN A 63 -5.548 1.313 3.546 1.00 52.54 H new ATOM 0 HB2 ASN A 63 -6.748 4.096 3.876 1.00 2.21 H new ATOM 0 HB3 ASN A 63 -7.646 2.621 4.173 1.00 2.21 H new ATOM 0 HD21 ASN A 63 -5.234 1.262 5.340 1.00 13.44 H new ATOM 0 HD22 ASN A 63 -5.073 2.009 6.933 1.00 13.44 H new ATOM 1002 N ARG A 64 -6.428 3.176 0.975 1.00 25.24 N ATOM 1003 CA ARG A 64 -7.031 3.102 -0.360 1.00 70.22 C ATOM 1004 C ARG A 64 -6.208 2.187 -1.287 1.00 2.32 C ATOM 1005 O ARG A 64 -6.747 1.284 -1.932 1.00 23.32 O ATOM 1006 CB ARG A 64 -7.142 4.505 -0.977 1.00 72.54 C ATOM 1007 CG ARG A 64 -7.896 4.529 -2.307 1.00 14.24 C ATOM 1008 CD ARG A 64 -7.926 5.922 -2.933 1.00 24.12 C ATOM 1009 NE ARG A 64 -8.790 5.969 -4.116 1.00 23.20 N ATOM 1010 CZ ARG A 64 -8.606 6.753 -5.149 1.00 20.24 C ATOM 1011 NH1 ARG A 64 -7.592 7.557 -5.207 1.00 20.43 N ATOM 1012 NH2 ARG A 64 -9.445 6.725 -6.130 1.00 50.12 N ATOM 0 H ARG A 64 -5.958 4.058 1.179 1.00 25.24 H new ATOM 0 HA ARG A 64 -8.030 2.679 -0.254 1.00 70.22 H new ATOM 0 HB2 ARG A 64 -7.646 5.165 -0.271 1.00 72.54 H new ATOM 0 HB3 ARG A 64 -6.140 4.907 -1.129 1.00 72.54 H new ATOM 0 HG2 ARG A 64 -7.426 3.832 -3.001 1.00 14.24 H new ATOM 0 HG3 ARG A 64 -8.917 4.182 -2.149 1.00 14.24 H new ATOM 0 HD2 ARG A 64 -8.279 6.644 -2.196 1.00 24.12 H new ATOM 0 HD3 ARG A 64 -6.914 6.218 -3.210 1.00 24.12 H new ATOM 0 HE ARG A 64 -9.596 5.344 -4.136 1.00 23.20 H new ATOM 0 HH11 ARG A 64 -6.920 7.587 -4.440 1.00 20.43 H new ATOM 0 HH12 ARG A 64 -7.465 8.160 -6.020 1.00 20.43 H new ATOM 0 HH21 ARG A 64 -10.246 6.095 -6.098 1.00 50.12 H new ATOM 0 HH22 ARG A 64 -9.307 7.333 -6.937 1.00 50.12 H new ATOM 1026 N ALA A 65 -4.898 2.430 -1.335 1.00 54.44 N ATOM 1027 CA ALA A 65 -3.988 1.674 -2.206 1.00 34.24 C ATOM 1028 C ALA A 65 -4.024 0.167 -1.909 1.00 40.23 C ATOM 1029 O ALA A 65 -4.326 -0.634 -2.790 1.00 74.35 O ATOM 1030 CB ALA A 65 -2.561 2.206 -2.073 1.00 11.11 C ATOM 0 H ALA A 65 -4.437 3.149 -0.778 1.00 54.44 H new ATOM 0 HA ALA A 65 -4.329 1.813 -3.232 1.00 34.24 H new ATOM 0 HB1 ALA A 65 -1.898 1.636 -2.724 1.00 11.11 H new ATOM 0 HB2 ALA A 65 -2.536 3.257 -2.360 1.00 11.11 H new ATOM 0 HB3 ALA A 65 -2.230 2.104 -1.040 1.00 11.11 H new ATOM 1036 N ILE A 66 -3.726 -0.206 -0.663 1.00 11.34 N ATOM 1037 CA ILE A 66 -3.705 -1.618 -0.249 1.00 41.20 C ATOM 1038 C ILE A 66 -4.994 -2.349 -0.648 1.00 62.43 C ATOM 1039 O ILE A 66 -4.945 -3.456 -1.187 1.00 74.44 O ATOM 1040 CB ILE A 66 -3.477 -1.760 1.283 1.00 73.41 C ATOM 1041 CG1 ILE A 66 -2.070 -1.264 1.666 1.00 14.22 C ATOM 1042 CG2 ILE A 66 -3.677 -3.208 1.739 1.00 50.02 C ATOM 1043 CD1 ILE A 66 -0.939 -2.082 1.063 1.00 43.44 C ATOM 0 H ILE A 66 -3.494 0.450 0.083 1.00 11.34 H new ATOM 0 HA ILE A 66 -2.869 -2.081 -0.773 1.00 41.20 H new ATOM 0 HB ILE A 66 -4.216 -1.142 1.792 1.00 73.41 H new ATOM 0 HG12 ILE A 66 -1.963 -0.227 1.349 1.00 14.22 H new ATOM 0 HG13 ILE A 66 -1.975 -1.277 2.752 1.00 14.22 H new ATOM 0 HG21 ILE A 66 -3.511 -3.277 2.814 1.00 50.02 H new ATOM 0 HG22 ILE A 66 -4.694 -3.525 1.508 1.00 50.02 H new ATOM 0 HG23 ILE A 66 -2.969 -3.854 1.220 1.00 50.02 H new ATOM 0 HD11 ILE A 66 0.018 -1.669 1.380 1.00 43.44 H new ATOM 0 HD12 ILE A 66 -1.018 -3.116 1.400 1.00 43.44 H new ATOM 0 HD13 ILE A 66 -1.006 -2.049 -0.024 1.00 43.44 H new ATOM 1055 N SER A 67 -6.143 -1.723 -0.398 1.00 25.14 N ATOM 1056 CA SER A 67 -7.438 -2.314 -0.766 1.00 74.32 C ATOM 1057 C SER A 67 -7.530 -2.558 -2.280 1.00 44.20 C ATOM 1058 O SER A 67 -7.678 -3.694 -2.727 1.00 13.42 O ATOM 1059 CB SER A 67 -8.597 -1.415 -0.314 1.00 31.20 C ATOM 1060 OG SER A 67 -9.854 -1.984 -0.649 1.00 52.20 O ATOM 0 H SER A 67 -6.209 -0.812 0.055 1.00 25.14 H new ATOM 0 HA SER A 67 -7.514 -3.274 -0.256 1.00 74.32 H new ATOM 0 HB2 SER A 67 -8.541 -1.261 0.764 1.00 31.20 H new ATOM 0 HB3 SER A 67 -8.503 -0.435 -0.782 1.00 31.20 H new ATOM 0 HG SER A 67 -10.573 -1.390 -0.347 1.00 52.20 H new ATOM 1066 N LEU A 68 -7.398 -1.489 -3.068 1.00 72.15 N ATOM 1067 CA LEU A 68 -7.490 -1.584 -4.532 1.00 55.03 C ATOM 1068 C LEU A 68 -6.250 -2.262 -5.150 1.00 51.15 C ATOM 1069 O LEU A 68 -6.169 -2.440 -6.366 1.00 15.12 O ATOM 1070 CB LEU A 68 -7.705 -0.190 -5.153 1.00 73.42 C ATOM 1071 CG LEU A 68 -9.120 0.407 -4.982 1.00 45.53 C ATOM 1072 CD1 LEU A 68 -9.448 0.670 -3.513 1.00 45.41 C ATOM 1073 CD2 LEU A 68 -9.273 1.686 -5.807 1.00 25.11 C ATOM 0 H LEU A 68 -7.227 -0.546 -2.720 1.00 72.15 H new ATOM 0 HA LEU A 68 -8.352 -2.212 -4.760 1.00 55.03 H new ATOM 0 HB2 LEU A 68 -6.984 0.499 -4.713 1.00 73.42 H new ATOM 0 HB3 LEU A 68 -7.481 -0.248 -6.218 1.00 73.42 H new ATOM 0 HG LEU A 68 -9.833 -0.330 -5.351 1.00 45.53 H new ATOM 0 HD11 LEU A 68 -10.451 1.090 -3.434 1.00 45.41 H new ATOM 0 HD12 LEU A 68 -9.401 -0.266 -2.956 1.00 45.41 H new ATOM 0 HD13 LEU A 68 -8.726 1.374 -3.100 1.00 45.41 H new ATOM 0 HD21 LEU A 68 -10.277 2.089 -5.671 1.00 25.11 H new ATOM 0 HD22 LEU A 68 -8.539 2.422 -5.477 1.00 25.11 H new ATOM 0 HD23 LEU A 68 -9.112 1.460 -6.861 1.00 25.11 H new ATOM 1085 N TYR A 69 -5.281 -2.618 -4.310 1.00 22.32 N ATOM 1086 CA TYR A 69 -4.122 -3.409 -4.738 1.00 2.32 C ATOM 1087 C TYR A 69 -4.380 -4.914 -4.543 1.00 55.22 C ATOM 1088 O TYR A 69 -4.411 -5.678 -5.510 1.00 33.14 O ATOM 1089 CB TYR A 69 -2.867 -2.965 -3.962 1.00 2.32 C ATOM 1090 CG TYR A 69 -1.736 -3.980 -3.955 1.00 40.42 C ATOM 1091 CD1 TYR A 69 -0.962 -4.216 -5.088 1.00 53.02 C ATOM 1092 CD2 TYR A 69 -1.451 -4.709 -2.806 1.00 40.53 C ATOM 1093 CE1 TYR A 69 0.059 -5.151 -5.072 1.00 3.23 C ATOM 1094 CE2 TYR A 69 -0.439 -5.643 -2.783 1.00 1.42 C ATOM 1095 CZ TYR A 69 0.315 -5.861 -3.915 1.00 73.31 C ATOM 1096 OH TYR A 69 1.323 -6.798 -3.889 1.00 62.35 O ATOM 0 H TYR A 69 -5.273 -2.370 -3.321 1.00 22.32 H new ATOM 0 HA TYR A 69 -3.957 -3.236 -5.801 1.00 2.32 H new ATOM 0 HB2 TYR A 69 -2.499 -2.034 -4.393 1.00 2.32 H new ATOM 0 HB3 TYR A 69 -3.150 -2.749 -2.932 1.00 2.32 H new ATOM 0 HD1 TYR A 69 -1.161 -3.661 -5.993 1.00 53.02 H new ATOM 0 HD2 TYR A 69 -2.035 -4.540 -1.913 1.00 40.53 H new ATOM 0 HE1 TYR A 69 0.651 -5.324 -5.958 1.00 3.23 H new ATOM 0 HE2 TYR A 69 -0.237 -6.202 -1.881 1.00 1.42 H new ATOM 0 HH TYR A 69 2.167 -6.377 -4.154 1.00 62.35 H new ATOM 1106 N MET A 70 -4.582 -5.335 -3.292 1.00 1.22 N ATOM 1107 CA MET A 70 -4.796 -6.754 -2.988 1.00 41.33 C ATOM 1108 C MET A 70 -6.110 -7.269 -3.599 1.00 65.02 C ATOM 1109 O MET A 70 -6.180 -8.407 -4.056 1.00 41.51 O ATOM 1110 CB MET A 70 -4.752 -7.003 -1.467 1.00 1.20 C ATOM 1111 CG MET A 70 -5.855 -6.314 -0.668 1.00 14.14 C ATOM 1112 SD MET A 70 -7.465 -7.111 -0.853 1.00 42.34 S ATOM 1113 CE MET A 70 -8.493 -6.045 0.160 1.00 55.24 C ATOM 0 H MET A 70 -4.602 -4.720 -2.478 1.00 1.22 H new ATOM 0 HA MET A 70 -3.982 -7.317 -3.445 1.00 41.33 H new ATOM 0 HB2 MET A 70 -4.811 -8.077 -1.288 1.00 1.20 H new ATOM 0 HB3 MET A 70 -3.786 -6.669 -1.087 1.00 1.20 H new ATOM 0 HG2 MET A 70 -5.580 -6.304 0.387 1.00 14.14 H new ATOM 0 HG3 MET A 70 -5.932 -5.275 -0.987 1.00 14.14 H new ATOM 0 HE1 MET A 70 -9.360 -6.604 0.512 1.00 55.24 H new ATOM 0 HE2 MET A 70 -7.918 -5.691 1.015 1.00 55.24 H new ATOM 0 HE3 MET A 70 -8.827 -5.192 -0.431 1.00 55.24 H new ATOM 1123 N ALA A 71 -7.137 -6.415 -3.636 1.00 24.14 N ATOM 1124 CA ALA A 71 -8.436 -6.783 -4.222 1.00 32.03 C ATOM 1125 C ALA A 71 -8.418 -6.678 -5.755 1.00 72.22 C ATOM 1126 O ALA A 71 -9.422 -6.942 -6.417 1.00 42.31 O ATOM 1127 CB ALA A 71 -9.539 -5.904 -3.645 1.00 1.01 C ATOM 0 H ALA A 71 -7.097 -5.464 -3.268 1.00 24.14 H new ATOM 0 HA ALA A 71 -8.634 -7.824 -3.965 1.00 32.03 H new ATOM 0 HB1 ALA A 71 -10.496 -6.185 -4.085 1.00 1.01 H new ATOM 0 HB2 ALA A 71 -9.584 -6.039 -2.564 1.00 1.01 H new ATOM 0 HB3 ALA A 71 -9.328 -4.859 -3.872 1.00 1.01 H new ATOM 1133 N ASN A 72 -7.281 -6.272 -6.314 1.00 14.04 N ATOM 1134 CA ASN A 72 -7.108 -6.214 -7.767 1.00 52.21 C ATOM 1135 C ASN A 72 -6.295 -7.420 -8.256 1.00 22.10 C ATOM 1136 O ASN A 72 -6.676 -8.087 -9.215 1.00 53.24 O ATOM 1137 CB ASN A 72 -6.414 -4.908 -8.170 1.00 54.25 C ATOM 1138 CG ASN A 72 -6.293 -4.756 -9.677 1.00 63.24 C ATOM 1139 OD1 ASN A 72 -5.315 -5.179 -10.280 1.00 33.40 O ATOM 1140 ND2 ASN A 72 -7.288 -4.156 -10.299 1.00 30.41 N ATOM 0 H ASN A 72 -6.462 -5.977 -5.783 1.00 14.04 H new ATOM 0 HA ASN A 72 -8.092 -6.244 -8.235 1.00 52.21 H new ATOM 0 HB2 ASN A 72 -6.973 -4.064 -7.766 1.00 54.25 H new ATOM 0 HB3 ASN A 72 -5.420 -4.875 -7.724 1.00 54.25 H new ATOM 0 HD21 ASN A 72 -7.257 -4.033 -11.311 1.00 30.41 H new ATOM 0 HD22 ASN A 72 -8.089 -3.814 -9.768 1.00 30.41 H new ATOM 1147 N LEU A 73 -5.185 -7.696 -7.570 1.00 71.35 N ATOM 1148 CA LEU A 73 -4.296 -8.808 -7.928 1.00 45.14 C ATOM 1149 C LEU A 73 -5.061 -10.149 -7.967 1.00 1.41 C ATOM 1150 O LEU A 73 -5.189 -10.769 -9.025 1.00 24.31 O ATOM 1151 CB LEU A 73 -3.117 -8.869 -6.928 1.00 55.24 C ATOM 1152 CG LEU A 73 -1.920 -9.774 -7.309 1.00 31.51 C ATOM 1153 CD1 LEU A 73 -2.245 -11.256 -7.133 1.00 52.41 C ATOM 1154 CD2 LEU A 73 -1.463 -9.485 -8.737 1.00 60.42 C ATOM 0 H LEU A 73 -4.877 -7.162 -6.757 1.00 71.35 H new ATOM 0 HA LEU A 73 -3.903 -8.634 -8.930 1.00 45.14 H new ATOM 0 HB2 LEU A 73 -2.743 -7.856 -6.783 1.00 55.24 H new ATOM 0 HB3 LEU A 73 -3.505 -9.207 -5.967 1.00 55.24 H new ATOM 0 HG LEU A 73 -1.103 -9.540 -6.626 1.00 31.51 H new ATOM 0 HD11 LEU A 73 -1.378 -11.854 -7.412 1.00 52.41 H new ATOM 0 HD12 LEU A 73 -2.501 -11.451 -6.092 1.00 52.41 H new ATOM 0 HD13 LEU A 73 -3.089 -11.522 -7.770 1.00 52.41 H new ATOM 0 HD21 LEU A 73 -0.621 -10.130 -8.987 1.00 60.42 H new ATOM 0 HD22 LEU A 73 -2.284 -9.676 -9.428 1.00 60.42 H new ATOM 0 HD23 LEU A 73 -1.157 -8.442 -8.817 1.00 60.42 H new ATOM 1166 N GLU A 74 -5.580 -10.587 -6.818 1.00 61.54 N ATOM 1167 CA GLU A 74 -6.278 -11.877 -6.745 1.00 62.43 C ATOM 1168 C GLU A 74 -7.554 -11.883 -7.603 1.00 63.02 C ATOM 1169 O GLU A 74 -7.860 -12.876 -8.262 1.00 44.20 O ATOM 1170 CB GLU A 74 -6.567 -12.271 -5.279 1.00 3.41 C ATOM 1171 CG GLU A 74 -7.274 -11.214 -4.427 1.00 44.53 C ATOM 1172 CD GLU A 74 -8.771 -11.112 -4.682 1.00 32.24 C ATOM 1173 OE1 GLU A 74 -9.485 -12.117 -4.471 1.00 24.41 O ATOM 1174 OE2 GLU A 74 -9.244 -10.027 -5.073 1.00 40.54 O ATOM 0 H GLU A 74 -5.533 -10.078 -5.936 1.00 61.54 H new ATOM 0 HA GLU A 74 -5.615 -12.635 -7.162 1.00 62.43 H new ATOM 0 HB2 GLU A 74 -7.176 -13.175 -5.280 1.00 3.41 H new ATOM 0 HB3 GLU A 74 -5.622 -12.524 -4.798 1.00 3.41 H new ATOM 0 HG2 GLU A 74 -7.110 -11.442 -3.374 1.00 44.53 H new ATOM 0 HG3 GLU A 74 -6.817 -10.243 -4.618 1.00 44.53 H new ATOM 1181 N HIS A 75 -8.279 -10.766 -7.619 1.00 11.41 N ATOM 1182 CA HIS A 75 -9.477 -10.637 -8.459 1.00 51.33 C ATOM 1183 C HIS A 75 -9.121 -10.763 -9.949 1.00 31.25 C ATOM 1184 O HIS A 75 -9.899 -11.288 -10.742 1.00 54.43 O ATOM 1185 CB HIS A 75 -10.178 -9.299 -8.195 1.00 73.54 C ATOM 1186 CG HIS A 75 -11.538 -9.199 -8.817 1.00 34.15 C ATOM 1187 ND1 HIS A 75 -12.690 -9.588 -8.167 1.00 52.52 N ATOM 1188 CD2 HIS A 75 -11.932 -8.763 -10.039 1.00 61.40 C ATOM 1189 CE1 HIS A 75 -13.725 -9.400 -8.956 1.00 61.03 C ATOM 1190 NE2 HIS A 75 -13.296 -8.900 -10.097 1.00 4.43 N ATOM 0 H HIS A 75 -8.062 -9.938 -7.064 1.00 11.41 H new ATOM 0 HA HIS A 75 -10.158 -11.448 -8.199 1.00 51.33 H new ATOM 0 HB2 HIS A 75 -10.269 -9.152 -7.119 1.00 73.54 H new ATOM 0 HB3 HIS A 75 -9.554 -8.490 -8.575 1.00 73.54 H new ATOM 0 HD2 HIS A 75 -11.292 -8.380 -10.820 1.00 61.40 H new ATOM 0 HE1 HIS A 75 -14.754 -9.619 -8.710 1.00 61.03 H new ATOM 0 HE2 HIS A 75 -13.883 -8.655 -10.894 1.00 4.43 H new ATOM 1199 N HIS A 76 -7.939 -10.276 -10.320 1.00 2.44 N ATOM 1200 CA HIS A 76 -7.447 -10.398 -11.693 1.00 1.00 C ATOM 1201 C HIS A 76 -6.974 -11.833 -11.974 1.00 33.04 C ATOM 1202 O HIS A 76 -6.941 -12.275 -13.121 1.00 41.01 O ATOM 1203 CB HIS A 76 -6.306 -9.399 -11.934 1.00 61.21 C ATOM 1204 CG HIS A 76 -5.822 -9.358 -13.353 1.00 73.22 C ATOM 1205 ND1 HIS A 76 -4.526 -9.643 -13.715 1.00 64.14 N ATOM 1206 CD2 HIS A 76 -6.465 -9.044 -14.503 1.00 54.33 C ATOM 1207 CE1 HIS A 76 -4.391 -9.509 -15.019 1.00 61.44 C ATOM 1208 NE2 HIS A 76 -5.553 -9.146 -15.524 1.00 74.44 N ATOM 0 H HIS A 76 -7.302 -9.792 -9.688 1.00 2.44 H new ATOM 0 HA HIS A 76 -8.264 -10.170 -12.377 1.00 1.00 H new ATOM 0 HB2 HIS A 76 -6.642 -8.403 -11.646 1.00 61.21 H new ATOM 0 HB3 HIS A 76 -5.470 -9.654 -11.283 1.00 61.21 H new ATOM 0 HD2 HIS A 76 -7.504 -8.765 -14.599 1.00 54.33 H new ATOM 0 HE1 HIS A 76 -3.482 -9.670 -15.579 1.00 61.44 H new ATOM 0 HE2 HIS A 76 -5.743 -8.970 -16.511 1.00 74.44 H new ATOM 1217 N HIS A 77 -6.598 -12.552 -10.915 1.00 72.31 N ATOM 1218 CA HIS A 77 -6.214 -13.963 -11.033 1.00 44.10 C ATOM 1219 C HIS A 77 -7.441 -14.886 -10.863 1.00 22.32 C ATOM 1220 O HIS A 77 -7.330 -16.107 -10.935 1.00 74.13 O ATOM 1221 CB HIS A 77 -5.129 -14.300 -9.999 1.00 54.22 C ATOM 1222 CG HIS A 77 -4.392 -15.577 -10.288 1.00 32.21 C ATOM 1223 ND1 HIS A 77 -4.047 -16.493 -9.316 1.00 72.21 N ATOM 1224 CD2 HIS A 77 -3.908 -16.077 -11.451 1.00 2.41 C ATOM 1225 CE1 HIS A 77 -3.389 -17.491 -9.865 1.00 3.23 C ATOM 1226 NE2 HIS A 77 -3.291 -17.265 -11.157 1.00 60.14 N ATOM 0 H HIS A 77 -6.551 -12.182 -9.966 1.00 72.31 H new ATOM 0 HA HIS A 77 -5.810 -14.131 -12.031 1.00 44.10 H new ATOM 0 HB2 HIS A 77 -4.413 -13.479 -9.957 1.00 54.22 H new ATOM 0 HB3 HIS A 77 -5.589 -14.372 -9.014 1.00 54.22 H new ATOM 0 HD2 HIS A 77 -3.993 -15.624 -12.428 1.00 2.41 H new ATOM 0 HE1 HIS A 77 -2.996 -18.351 -9.343 1.00 3.23 H new ATOM 0 HE2 HIS A 77 -2.830 -17.876 -11.832 1.00 60.14 H new ATOM 1235 N HIS A 78 -8.605 -14.285 -10.622 1.00 73.41 N ATOM 1236 CA HIS A 78 -9.884 -15.011 -10.586 1.00 52.23 C ATOM 1237 C HIS A 78 -10.841 -14.485 -11.672 1.00 30.14 C ATOM 1238 O HIS A 78 -10.565 -13.477 -12.323 1.00 64.33 O ATOM 1239 CB HIS A 78 -10.549 -14.877 -9.206 1.00 43.15 C ATOM 1240 CG HIS A 78 -9.910 -15.700 -8.121 1.00 44.32 C ATOM 1241 ND1 HIS A 78 -8.740 -15.553 -7.453 1.00 72.21 N flip ATOM 1242 CD2 HIS A 78 -10.511 -16.815 -7.580 1.00 34.23 C flip ATOM 1243 CE1 HIS A 78 -8.668 -16.570 -6.531 1.00 75.44 C flip ATOM 1244 NE2 HIS A 78 -9.747 -17.313 -6.631 1.00 33.03 N flip ATOM 0 H HIS A 78 -8.694 -13.284 -10.446 1.00 73.41 H new ATOM 0 HA HIS A 78 -9.674 -16.063 -10.777 1.00 52.23 H new ATOM 0 HB2 HIS A 78 -10.530 -13.829 -8.908 1.00 43.15 H new ATOM 0 HB3 HIS A 78 -11.597 -15.164 -9.293 1.00 43.15 H new ATOM 0 HD1 HIS A 78 -8.043 -14.824 -7.606 1.00 72.21 H new ATOM 0 HD2 HIS A 78 -11.464 -17.219 -7.888 1.00 34.23 H new ATOM 0 HE1 HIS A 78 -7.856 -16.732 -5.837 1.00 75.44 H new