USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 498 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 18 THR OG1 : rot 140:sc= -2.45 USER MOD Set 1.2: A 21 MET CE :methyl -168:sc= -4.26! (180deg=-5.13!) USER MOD Set 2.1: A 2 GLN : amide:sc= -6.65! C(o=-5.6!,f=-13!) USER MOD Set 2.2: A 4 SER OG : rot -53:sc= 1.06 USER MOD Single : A 14 ASN : amide:sc= -6.94! C(o=-6.9!,f=-4.8!) USER MOD Single : A 15 THR OG1 : rot 67:sc= -0.0984 USER MOD Single : A 22 MET CE :methyl -176:sc= -4.72! (180deg=-5.12!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 24 THR OG1 : rot 24:sc= 0.232 USER MOD Single : A 28 SER OG : rot 180:sc= -0.402 USER MOD Single : A 30 THR OG1 : rot 51:sc= 0.171 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -141:sc= -7.1! (180deg=-16.2!) USER MOD Single : A 44 GLN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.23! C(o=-4.2!,f=-4.9!) USER MOD Single : A 47 GLN : amide:sc= -0.892 K(o=-0.89,f=-0.15) USER MOD Single : A 51 MET CE :methyl 174:sc= -3.78! (180deg=-4.27!) USER MOD Single : A 53 THR OG1 : rot -130:sc= -1.22 USER MOD Single : A 54 THR OG1 : rot 160:sc= -3.74! USER MOD Single : A 56 MET CE :methyl 152:sc= -3.75! (180deg=-4.6!) USER MOD Single : A 59 MET CE :methyl 167:sc= -4.79! (180deg=-5.17!) USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= 0 (180deg=-1) USER MOD Single : A 63 TYR OH : rot 146:sc= -0.239 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.283 0.332 -4.663 1.00 13.24 N ATOM 33 CA GLN A 2 -1.782 1.419 -5.488 1.00 14.13 C ATOM 34 C GLN A 2 -2.487 0.864 -6.727 1.00 43.25 C ATOM 35 O GLN A 2 -1.964 -0.026 -7.397 1.00 2.34 O ATOM 36 CB GLN A 2 -0.652 2.373 -5.880 1.00 54.10 C ATOM 37 CG GLN A 2 0.101 1.855 -7.107 1.00 0.50 C ATOM 38 CD GLN A 2 -0.677 2.148 -8.392 1.00 30.53 C ATOM 39 OE1 GLN A 2 -0.955 1.270 -9.193 1.00 12.24 O ATOM 40 NE2 GLN A 2 -1.012 3.426 -8.543 1.00 24.22 N ATOM 0 HA GLN A 2 -2.507 1.988 -4.906 1.00 14.13 H new ATOM 0 HB2 GLN A 2 -1.062 3.361 -6.090 1.00 54.10 H new ATOM 0 HB3 GLN A 2 0.040 2.486 -5.045 1.00 54.10 H new ATOM 0 HG2 GLN A 2 1.084 2.322 -7.159 1.00 0.50 H new ATOM 0 HG3 GLN A 2 0.263 0.781 -7.012 1.00 0.50 H new ATOM 0 HE21 GLN A 2 -0.748 4.110 -7.834 1.00 24.22 H new ATOM 0 HE22 GLN A 2 -1.533 3.722 -9.368 1.00 24.22 H new ATOM 49 N GLU A 3 -3.662 1.413 -6.996 1.00 73.22 N ATOM 50 CA GLU A 3 -4.444 0.984 -8.144 1.00 23.33 C ATOM 51 C GLU A 3 -3.760 1.416 -9.443 1.00 34.13 C ATOM 52 O GLU A 3 -3.217 2.516 -9.526 1.00 1.20 O ATOM 53 CB GLU A 3 -5.872 1.527 -8.069 1.00 20.24 C ATOM 54 CG GLU A 3 -6.785 0.564 -7.308 1.00 35.34 C ATOM 55 CD GLU A 3 -8.206 1.123 -7.202 1.00 5.43 C ATOM 56 OE1 GLU A 3 -8.431 2.304 -7.505 1.00 43.43 O ATOM 57 OE2 GLU A 3 -9.093 0.284 -6.788 1.00 31.32 O ATOM 0 H GLU A 3 -4.092 2.151 -6.439 1.00 73.22 H new ATOM 0 HA GLU A 3 -4.504 -0.104 -8.132 1.00 23.33 H new ATOM 0 HB2 GLU A 3 -5.870 2.499 -7.575 1.00 20.24 H new ATOM 0 HB3 GLU A 3 -6.259 1.682 -9.076 1.00 20.24 H new ATOM 0 HG2 GLU A 3 -6.807 -0.400 -7.816 1.00 35.34 H new ATOM 0 HG3 GLU A 3 -6.384 0.389 -6.310 1.00 35.34 H new ATOM 65 N SER A 4 -3.810 0.527 -10.424 1.00 51.31 N ATOM 66 CA SER A 4 -3.203 0.803 -11.715 1.00 3.10 C ATOM 67 C SER A 4 -4.228 0.593 -12.831 1.00 42.12 C ATOM 68 O SER A 4 -5.050 -0.319 -12.760 1.00 53.32 O ATOM 69 CB SER A 4 -1.977 -0.082 -11.947 1.00 5.10 C ATOM 70 OG SER A 4 -1.516 -0.683 -10.740 1.00 4.33 O ATOM 0 H SER A 4 -4.261 -0.385 -10.351 1.00 51.31 H new ATOM 0 HA SER A 4 -2.874 1.842 -11.723 1.00 3.10 H new ATOM 0 HB2 SER A 4 -2.224 -0.861 -12.669 1.00 5.10 H new ATOM 0 HB3 SER A 4 -1.176 0.515 -12.383 1.00 5.10 H new ATOM 0 HG SER A 4 -1.371 0.011 -10.064 1.00 4.33 H new ATOM 76 N VAL A 5 -4.145 1.452 -13.836 1.00 40.43 N ATOM 77 CA VAL A 5 -5.055 1.373 -14.966 1.00 72.51 C ATOM 78 C VAL A 5 -4.997 -0.035 -15.564 1.00 13.24 C ATOM 79 O VAL A 5 -3.915 -0.582 -15.769 1.00 0.13 O ATOM 80 CB VAL A 5 -4.725 2.468 -15.982 1.00 71.45 C ATOM 81 CG1 VAL A 5 -5.565 2.309 -17.251 1.00 51.13 C ATOM 82 CG2 VAL A 5 -4.912 3.858 -15.371 1.00 31.51 C ATOM 0 H VAL A 5 -3.461 2.207 -13.891 1.00 40.43 H new ATOM 0 HA VAL A 5 -6.081 1.547 -14.643 1.00 72.51 H new ATOM 0 HB VAL A 5 -3.676 2.363 -16.259 1.00 71.45 H new ATOM 0 HG11 VAL A 5 -5.311 3.100 -17.957 1.00 51.13 H new ATOM 0 HG12 VAL A 5 -5.360 1.339 -17.704 1.00 51.13 H new ATOM 0 HG13 VAL A 5 -6.623 2.375 -16.998 1.00 51.13 H new ATOM 0 HG21 VAL A 5 -4.671 4.618 -16.114 1.00 31.51 H new ATOM 0 HG22 VAL A 5 -5.947 3.979 -15.052 1.00 31.51 H new ATOM 0 HG23 VAL A 5 -4.252 3.969 -14.511 1.00 31.51 H new ATOM 92 N VAL A 6 -6.176 -0.580 -15.826 1.00 63.52 N ATOM 93 CA VAL A 6 -6.273 -1.914 -16.396 1.00 41.41 C ATOM 94 C VAL A 6 -7.349 -1.921 -17.483 1.00 72.44 C ATOM 95 O VAL A 6 -8.520 -1.669 -17.204 1.00 73.25 O ATOM 96 CB VAL A 6 -6.533 -2.938 -15.290 1.00 12.12 C ATOM 97 CG1 VAL A 6 -6.895 -4.302 -15.880 1.00 70.30 C ATOM 98 CG2 VAL A 6 -5.330 -3.048 -14.351 1.00 34.24 C ATOM 0 H VAL A 6 -7.072 -0.123 -15.654 1.00 63.52 H new ATOM 0 HA VAL A 6 -5.332 -2.198 -16.868 1.00 41.41 H new ATOM 0 HB VAL A 6 -7.384 -2.590 -14.704 1.00 12.12 H new ATOM 0 HG11 VAL A 6 -7.075 -5.012 -15.072 1.00 70.30 H new ATOM 0 HG12 VAL A 6 -7.795 -4.208 -16.488 1.00 70.30 H new ATOM 0 HG13 VAL A 6 -6.074 -4.659 -16.501 1.00 70.30 H new ATOM 0 HG21 VAL A 6 -5.541 -3.783 -13.574 1.00 34.24 H new ATOM 0 HG22 VAL A 6 -4.453 -3.361 -14.918 1.00 34.24 H new ATOM 0 HG23 VAL A 6 -5.137 -2.079 -13.891 1.00 34.24 H new ATOM 108 N ALA A 7 -6.914 -2.214 -18.700 1.00 42.21 N ATOM 109 CA ALA A 7 -7.825 -2.258 -19.831 1.00 15.23 C ATOM 110 C ALA A 7 -9.101 -2.998 -19.423 1.00 61.23 C ATOM 111 O ALA A 7 -9.121 -4.227 -19.374 1.00 24.14 O ATOM 112 CB ALA A 7 -7.127 -2.912 -21.024 1.00 74.54 C ATOM 0 H ALA A 7 -5.942 -2.423 -18.927 1.00 42.21 H new ATOM 0 HA ALA A 7 -8.111 -1.251 -20.134 1.00 15.23 H new ATOM 0 HB1 ALA A 7 -7.811 -2.945 -21.872 1.00 74.54 H new ATOM 0 HB2 ALA A 7 -6.244 -2.332 -21.292 1.00 74.54 H new ATOM 0 HB3 ALA A 7 -6.828 -3.926 -20.759 1.00 74.54 H new ATOM 118 N ALA A 8 -10.135 -2.219 -19.142 1.00 70.12 N ATOM 119 CA ALA A 8 -11.411 -2.786 -18.741 1.00 15.53 C ATOM 120 C ALA A 8 -12.000 -3.582 -19.907 1.00 32.44 C ATOM 121 O ALA A 8 -12.964 -4.326 -19.731 1.00 32.02 O ATOM 122 CB ALA A 8 -12.342 -1.666 -18.271 1.00 51.52 C ATOM 0 H ALA A 8 -10.115 -1.200 -19.184 1.00 70.12 H new ATOM 0 HA ALA A 8 -11.280 -3.474 -17.906 1.00 15.53 H new ATOM 0 HB1 ALA A 8 -13.300 -2.091 -17.970 1.00 51.52 H new ATOM 0 HB2 ALA A 8 -11.891 -1.150 -17.423 1.00 51.52 H new ATOM 0 HB3 ALA A 8 -12.499 -0.958 -19.085 1.00 51.52 H new ATOM 128 N VAL A 9 -11.396 -3.400 -21.071 1.00 63.03 N ATOM 129 CA VAL A 9 -11.848 -4.093 -22.266 1.00 10.21 C ATOM 130 C VAL A 9 -10.689 -4.198 -23.259 1.00 22.22 C ATOM 131 O VAL A 9 -9.639 -3.590 -23.059 1.00 45.22 O ATOM 132 CB VAL A 9 -13.072 -3.385 -22.849 1.00 55.24 C ATOM 133 CG1 VAL A 9 -14.229 -3.374 -21.847 1.00 43.15 C ATOM 134 CG2 VAL A 9 -12.722 -1.965 -23.298 1.00 54.43 C ATOM 0 H VAL A 9 -10.597 -2.782 -21.213 1.00 63.03 H new ATOM 0 HA VAL A 9 -12.161 -5.109 -22.023 1.00 10.21 H new ATOM 0 HB VAL A 9 -13.395 -3.944 -23.727 1.00 55.24 H new ATOM 0 HG11 VAL A 9 -15.086 -2.865 -22.287 1.00 43.15 H new ATOM 0 HG12 VAL A 9 -14.504 -4.399 -21.598 1.00 43.15 H new ATOM 0 HG13 VAL A 9 -13.921 -2.851 -20.942 1.00 43.15 H new ATOM 0 HG21 VAL A 9 -13.610 -1.484 -23.709 1.00 54.43 H new ATOM 0 HG22 VAL A 9 -12.361 -1.392 -22.444 1.00 54.43 H new ATOM 0 HG23 VAL A 9 -11.946 -2.006 -24.062 1.00 54.43 H new ATOM 144 N LEU A 10 -10.919 -4.975 -24.307 1.00 45.34 N ATOM 145 CA LEU A 10 -9.906 -5.168 -25.332 1.00 14.31 C ATOM 146 C LEU A 10 -9.637 -3.835 -26.034 1.00 22.13 C ATOM 147 O LEU A 10 -10.412 -3.413 -26.890 1.00 42.43 O ATOM 148 CB LEU A 10 -10.316 -6.293 -26.285 1.00 0.44 C ATOM 149 CG LEU A 10 -9.506 -6.405 -27.578 1.00 4.14 C ATOM 150 CD1 LEU A 10 -8.269 -7.283 -27.375 1.00 51.41 C ATOM 151 CD2 LEU A 10 -10.379 -6.903 -28.731 1.00 13.23 C ATOM 0 H LEU A 10 -11.791 -5.478 -24.469 1.00 45.34 H new ATOM 0 HA LEU A 10 -8.966 -5.488 -24.883 1.00 14.31 H new ATOM 0 HB2 LEU A 10 -10.242 -7.240 -25.750 1.00 0.44 H new ATOM 0 HB3 LEU A 10 -11.365 -6.156 -26.547 1.00 0.44 H new ATOM 0 HG LEU A 10 -9.154 -5.409 -27.848 1.00 4.14 H new ATOM 0 HD11 LEU A 10 -7.711 -7.346 -28.309 1.00 51.41 H new ATOM 0 HD12 LEU A 10 -7.636 -6.847 -26.603 1.00 51.41 H new ATOM 0 HD13 LEU A 10 -8.578 -8.282 -27.069 1.00 51.41 H new ATOM 0 HD21 LEU A 10 -9.778 -6.973 -29.638 1.00 13.23 H new ATOM 0 HD22 LEU A 10 -10.781 -7.886 -28.485 1.00 13.23 H new ATOM 0 HD23 LEU A 10 -11.200 -6.205 -28.893 1.00 13.23 H new ATOM 163 N ILE A 11 -8.535 -3.210 -25.644 1.00 74.03 N ATOM 164 CA ILE A 11 -8.154 -1.934 -26.225 1.00 61.04 C ATOM 165 C ILE A 11 -7.159 -2.174 -27.363 1.00 1.43 C ATOM 166 O ILE A 11 -6.022 -2.578 -27.123 1.00 75.51 O ATOM 167 CB ILE A 11 -7.634 -0.986 -25.143 1.00 23.44 C ATOM 168 CG1 ILE A 11 -8.268 -1.302 -23.787 1.00 31.34 C ATOM 169 CG2 ILE A 11 -7.842 0.475 -25.547 1.00 32.45 C ATOM 170 CD1 ILE A 11 -8.198 -0.092 -22.853 1.00 64.20 C ATOM 0 H ILE A 11 -7.895 -3.564 -24.933 1.00 74.03 H new ATOM 0 HA ILE A 11 -9.022 -1.438 -26.659 1.00 61.04 H new ATOM 0 HB ILE A 11 -6.560 -1.141 -25.040 1.00 23.44 H new ATOM 0 HG12 ILE A 11 -9.308 -1.597 -23.928 1.00 31.34 H new ATOM 0 HG13 ILE A 11 -7.755 -2.148 -23.330 1.00 31.34 H new ATOM 0 HG21 ILE A 11 -7.464 1.127 -24.760 1.00 32.45 H new ATOM 0 HG22 ILE A 11 -7.306 0.676 -26.474 1.00 32.45 H new ATOM 0 HG23 ILE A 11 -8.905 0.664 -25.695 1.00 32.45 H new ATOM 0 HD11 ILE A 11 -8.656 -0.344 -21.896 1.00 64.20 H new ATOM 0 HD12 ILE A 11 -7.156 0.186 -22.695 1.00 64.20 H new ATOM 0 HD13 ILE A 11 -8.733 0.745 -23.302 1.00 64.20 H new ATOM 182 N PRO A 12 -7.635 -1.906 -28.608 1.00 63.34 N ATOM 183 CA PRO A 12 -6.800 -2.089 -29.783 1.00 43.55 C ATOM 184 C PRO A 12 -5.765 -0.967 -29.900 1.00 73.34 C ATOM 185 O PRO A 12 -5.800 -0.004 -29.136 1.00 65.11 O ATOM 186 CB PRO A 12 -7.770 -2.126 -30.953 1.00 65.32 C ATOM 187 CG PRO A 12 -9.059 -1.502 -30.446 1.00 12.22 C ATOM 188 CD PRO A 12 -8.975 -1.425 -28.930 1.00 71.41 C ATOM 0 HA PRO A 12 -6.211 -3.005 -29.742 1.00 43.55 H new ATOM 0 HB2 PRO A 12 -7.376 -1.571 -31.804 1.00 65.32 H new ATOM 0 HB3 PRO A 12 -7.937 -3.149 -31.289 1.00 65.32 H new ATOM 0 HG2 PRO A 12 -9.195 -0.508 -30.872 1.00 12.22 H new ATOM 0 HG3 PRO A 12 -9.918 -2.100 -30.751 1.00 12.22 H new ATOM 0 HD2 PRO A 12 -9.125 -0.405 -28.576 1.00 71.41 H new ATOM 0 HD3 PRO A 12 -9.741 -2.041 -28.459 1.00 71.41 H new ATOM 196 N ILE A 13 -4.870 -1.130 -30.863 1.00 43.21 N ATOM 197 CA ILE A 13 -3.827 -0.143 -31.090 1.00 74.21 C ATOM 198 C ILE A 13 -4.456 1.140 -31.637 1.00 70.11 C ATOM 199 O ILE A 13 -5.527 1.102 -32.242 1.00 4.03 O ATOM 200 CB ILE A 13 -2.729 -0.720 -31.986 1.00 32.34 C ATOM 201 CG1 ILE A 13 -1.590 0.284 -32.173 1.00 31.15 C ATOM 202 CG2 ILE A 13 -3.304 -1.191 -33.323 1.00 64.22 C ATOM 203 CD1 ILE A 13 -0.516 -0.273 -33.109 1.00 74.15 C ATOM 0 H ILE A 13 -4.845 -1.930 -31.495 1.00 43.21 H new ATOM 0 HA ILE A 13 -3.337 0.116 -30.152 1.00 74.21 H new ATOM 0 HB ILE A 13 -2.308 -1.595 -31.491 1.00 32.34 H new ATOM 0 HG12 ILE A 13 -1.984 1.215 -32.580 1.00 31.15 H new ATOM 0 HG13 ILE A 13 -1.147 0.521 -31.206 1.00 31.15 H new ATOM 0 HG21 ILE A 13 -2.503 -1.597 -33.941 1.00 64.22 H new ATOM 0 HG22 ILE A 13 -4.052 -1.964 -33.145 1.00 64.22 H new ATOM 0 HG23 ILE A 13 -3.767 -0.349 -33.837 1.00 64.22 H new ATOM 0 HD11 ILE A 13 0.282 0.461 -33.225 1.00 74.15 H new ATOM 0 HD12 ILE A 13 -0.107 -1.191 -32.687 1.00 74.15 H new ATOM 0 HD13 ILE A 13 -0.957 -0.486 -34.083 1.00 74.15 H new ATOM 215 N ASN A 14 -3.764 2.246 -31.405 1.00 62.53 N ATOM 216 CA ASN A 14 -4.241 3.538 -31.867 1.00 61.14 C ATOM 217 C ASN A 14 -5.752 3.628 -31.645 1.00 40.11 C ATOM 218 O ASN A 14 -6.503 3.923 -32.574 1.00 31.34 O ATOM 219 CB ASN A 14 -3.971 3.722 -33.362 1.00 51.40 C ATOM 220 CG ASN A 14 -4.481 2.523 -34.163 1.00 65.33 C ATOM 221 OD1 ASN A 14 -5.671 2.326 -34.347 1.00 45.33 O ATOM 222 ND2 ASN A 14 -3.516 1.734 -34.628 1.00 70.22 N ATOM 0 H ASN A 14 -2.877 2.274 -30.903 1.00 62.53 H new ATOM 0 HA ASN A 14 -3.715 4.312 -31.307 1.00 61.14 H new ATOM 0 HB2 ASN A 14 -4.457 4.632 -33.714 1.00 51.40 H new ATOM 0 HB3 ASN A 14 -2.901 3.847 -33.529 1.00 51.40 H new ATOM 0 HD21 ASN A 14 -3.753 0.906 -35.175 1.00 70.22 H new ATOM 0 HD22 ASN A 14 -2.539 1.957 -34.437 1.00 70.22 H new ATOM 229 N THR A 15 -6.153 3.369 -30.409 1.00 45.11 N ATOM 230 CA THR A 15 -7.560 3.417 -30.053 1.00 14.30 C ATOM 231 C THR A 15 -7.787 4.406 -28.908 1.00 12.03 C ATOM 232 O THR A 15 -7.236 4.239 -27.821 1.00 14.34 O ATOM 233 CB THR A 15 -8.014 1.993 -29.725 1.00 53.44 C ATOM 234 OG1 THR A 15 -7.978 1.320 -30.981 1.00 24.14 O ATOM 235 CG2 THR A 15 -9.486 1.929 -29.311 1.00 24.44 C ATOM 0 H THR A 15 -5.527 3.125 -29.641 1.00 45.11 H new ATOM 0 HA THR A 15 -8.165 3.784 -30.882 1.00 14.30 H new ATOM 0 HB THR A 15 -7.394 1.589 -28.925 1.00 53.44 H new ATOM 0 HG1 THR A 15 -7.049 1.241 -31.284 1.00 24.14 H new ATOM 0 HG21 THR A 15 -9.757 0.897 -29.089 1.00 24.44 H new ATOM 0 HG22 THR A 15 -9.642 2.544 -28.424 1.00 24.44 H new ATOM 0 HG23 THR A 15 -10.109 2.301 -30.124 1.00 24.44 H new ATOM 243 N ALA A 16 -8.599 5.414 -29.191 1.00 32.02 N ATOM 244 CA ALA A 16 -8.906 6.430 -28.198 1.00 22.41 C ATOM 245 C ALA A 16 -9.382 5.752 -26.911 1.00 65.24 C ATOM 246 O ALA A 16 -10.279 4.911 -26.944 1.00 24.13 O ATOM 247 CB ALA A 16 -9.944 7.400 -28.764 1.00 12.20 C ATOM 0 H ALA A 16 -9.054 5.549 -30.094 1.00 32.02 H new ATOM 0 HA ALA A 16 -8.016 7.010 -27.955 1.00 22.41 H new ATOM 0 HB1 ALA A 16 -10.174 8.162 -28.019 1.00 12.20 H new ATOM 0 HB2 ALA A 16 -9.546 7.877 -29.660 1.00 12.20 H new ATOM 0 HB3 ALA A 16 -10.853 6.854 -29.017 1.00 12.20 H new ATOM 253 N LEU A 17 -8.759 6.143 -25.809 1.00 52.21 N ATOM 254 CA LEU A 17 -9.108 5.584 -24.514 1.00 62.01 C ATOM 255 C LEU A 17 -10.302 6.348 -23.938 1.00 62.12 C ATOM 256 O LEU A 17 -10.413 7.560 -24.117 1.00 62.34 O ATOM 257 CB LEU A 17 -7.887 5.566 -23.592 1.00 62.42 C ATOM 258 CG LEU A 17 -6.727 4.671 -24.033 1.00 44.05 C ATOM 259 CD1 LEU A 17 -5.452 5.001 -23.254 1.00 14.41 C ATOM 260 CD2 LEU A 17 -7.101 3.192 -23.920 1.00 22.13 C ATOM 0 H LEU A 17 -8.015 6.840 -25.786 1.00 52.21 H new ATOM 0 HA LEU A 17 -9.416 4.544 -24.619 1.00 62.01 H new ATOM 0 HB2 LEU A 17 -7.516 6.586 -23.494 1.00 62.42 H new ATOM 0 HB3 LEU A 17 -8.210 5.247 -22.601 1.00 62.42 H new ATOM 0 HG LEU A 17 -6.523 4.872 -25.085 1.00 44.05 H new ATOM 0 HD11 LEU A 17 -4.643 4.350 -23.587 1.00 14.41 H new ATOM 0 HD12 LEU A 17 -5.177 6.041 -23.430 1.00 14.41 H new ATOM 0 HD13 LEU A 17 -5.626 4.847 -22.189 1.00 14.41 H new ATOM 0 HD21 LEU A 17 -6.259 2.578 -24.240 1.00 22.13 H new ATOM 0 HD22 LEU A 17 -7.349 2.957 -22.885 1.00 22.13 H new ATOM 0 HD23 LEU A 17 -7.962 2.985 -24.555 1.00 22.13 H new ATOM 272 N THR A 18 -11.165 5.608 -23.258 1.00 61.43 N ATOM 273 CA THR A 18 -12.347 6.200 -22.655 1.00 4.00 C ATOM 274 C THR A 18 -12.427 5.837 -21.171 1.00 61.40 C ATOM 275 O THR A 18 -11.602 5.075 -20.669 1.00 62.32 O ATOM 276 CB THR A 18 -13.566 5.745 -23.459 1.00 13.32 C ATOM 277 OG1 THR A 18 -13.458 4.325 -23.479 1.00 75.44 O ATOM 278 CG2 THR A 18 -13.479 6.147 -24.933 1.00 34.04 C ATOM 0 H THR A 18 -11.069 4.603 -23.111 1.00 61.43 H new ATOM 0 HA THR A 18 -12.306 7.289 -22.689 1.00 4.00 H new ATOM 0 HB THR A 18 -14.469 6.169 -23.020 1.00 13.32 H new ATOM 0 HG1 THR A 18 -14.346 3.928 -23.363 1.00 75.44 H new ATOM 0 HG21 THR A 18 -14.369 5.800 -25.458 1.00 34.04 H new ATOM 0 HG22 THR A 18 -13.412 7.232 -25.011 1.00 34.04 H new ATOM 0 HG23 THR A 18 -12.594 5.696 -25.382 1.00 34.04 H new ATOM 286 N VAL A 19 -13.428 6.399 -20.510 1.00 72.13 N ATOM 287 CA VAL A 19 -13.627 6.144 -19.094 1.00 31.43 C ATOM 288 C VAL A 19 -14.351 4.807 -18.917 1.00 50.35 C ATOM 289 O VAL A 19 -14.377 4.252 -17.820 1.00 75.55 O ATOM 290 CB VAL A 19 -14.371 7.316 -18.450 1.00 64.21 C ATOM 291 CG1 VAL A 19 -15.885 7.120 -18.541 1.00 13.25 C ATOM 292 CG2 VAL A 19 -13.929 7.515 -16.999 1.00 21.42 C ATOM 0 H VAL A 19 -14.110 7.031 -20.929 1.00 72.13 H new ATOM 0 HA VAL A 19 -12.668 6.065 -18.582 1.00 31.43 H new ATOM 0 HB VAL A 19 -14.117 8.220 -19.004 1.00 64.21 H new ATOM 0 HG11 VAL A 19 -16.390 7.967 -18.076 1.00 13.25 H new ATOM 0 HG12 VAL A 19 -16.181 7.051 -19.588 1.00 13.25 H new ATOM 0 HG13 VAL A 19 -16.165 6.202 -18.024 1.00 13.25 H new ATOM 0 HG21 VAL A 19 -14.473 8.354 -16.565 1.00 21.42 H new ATOM 0 HG22 VAL A 19 -14.139 6.611 -16.427 1.00 21.42 H new ATOM 0 HG23 VAL A 19 -12.859 7.722 -16.970 1.00 21.42 H new ATOM 302 N GLY A 20 -14.921 4.330 -20.014 1.00 43.14 N ATOM 303 CA GLY A 20 -15.643 3.069 -19.995 1.00 10.52 C ATOM 304 C GLY A 20 -14.806 1.948 -20.613 1.00 43.13 C ATOM 305 O GLY A 20 -15.313 0.857 -20.867 1.00 35.25 O ATOM 0 H GLY A 20 -14.897 4.794 -20.922 1.00 43.14 H new ATOM 0 HA2 GLY A 20 -15.903 2.810 -18.969 1.00 10.52 H new ATOM 0 HA3 GLY A 20 -16.579 3.174 -20.544 1.00 10.52 H new ATOM 309 N MET A 21 -13.537 2.256 -20.839 1.00 21.24 N ATOM 310 CA MET A 21 -12.624 1.288 -21.423 1.00 33.44 C ATOM 311 C MET A 21 -11.535 0.890 -20.425 1.00 22.33 C ATOM 312 O MET A 21 -11.052 -0.242 -20.445 1.00 54.42 O ATOM 313 CB MET A 21 -11.977 1.885 -22.674 1.00 14.55 C ATOM 314 CG MET A 21 -12.732 1.463 -23.936 1.00 1.51 C ATOM 315 SD MET A 21 -11.574 1.040 -25.226 1.00 62.43 S ATOM 316 CE MET A 21 -10.605 2.538 -25.278 1.00 53.11 C ATOM 0 H MET A 21 -13.120 3.162 -20.628 1.00 21.24 H new ATOM 0 HA MET A 21 -13.192 0.396 -21.688 1.00 33.44 H new ATOM 0 HB2 MET A 21 -11.966 2.972 -22.599 1.00 14.55 H new ATOM 0 HB3 MET A 21 -10.939 1.560 -22.741 1.00 14.55 H new ATOM 0 HG2 MET A 21 -13.374 0.609 -23.718 1.00 1.51 H new ATOM 0 HG3 MET A 21 -13.381 2.273 -24.270 1.00 1.51 H new ATOM 0 HE1 MET A 21 -9.975 2.533 -26.167 1.00 53.11 H new ATOM 0 HE2 MET A 21 -11.270 3.401 -25.309 1.00 53.11 H new ATOM 0 HE3 MET A 21 -9.977 2.596 -24.389 1.00 53.11 H new ATOM 326 N MET A 22 -11.179 1.842 -19.575 1.00 60.00 N ATOM 327 CA MET A 22 -10.155 1.605 -18.571 1.00 54.12 C ATOM 328 C MET A 22 -10.783 1.268 -17.217 1.00 41.40 C ATOM 329 O MET A 22 -11.999 1.351 -17.055 1.00 13.43 O ATOM 330 CB MET A 22 -9.279 2.851 -18.432 1.00 45.12 C ATOM 331 CG MET A 22 -8.451 3.083 -19.698 1.00 53.52 C ATOM 332 SD MET A 22 -7.704 4.704 -19.650 1.00 63.42 S ATOM 333 CE MET A 22 -9.121 5.711 -20.053 1.00 40.04 C ATOM 0 H MET A 22 -11.581 2.779 -19.561 1.00 60.00 H new ATOM 0 HA MET A 22 -9.548 0.757 -18.890 1.00 54.12 H new ATOM 0 HB2 MET A 22 -9.906 3.721 -18.239 1.00 45.12 H new ATOM 0 HB3 MET A 22 -8.615 2.740 -17.574 1.00 45.12 H new ATOM 0 HG2 MET A 22 -7.678 2.319 -19.782 1.00 53.52 H new ATOM 0 HG3 MET A 22 -9.086 2.992 -20.579 1.00 53.52 H new ATOM 0 HE1 MET A 22 -8.815 6.754 -20.136 1.00 40.04 H new ATOM 0 HE2 MET A 22 -9.544 5.381 -21.002 1.00 40.04 H new ATOM 0 HE3 MET A 22 -9.871 5.615 -19.268 1.00 40.04 H new ATOM 343 N THR A 23 -9.924 0.896 -16.279 1.00 74.43 N ATOM 344 CA THR A 23 -10.379 0.546 -14.944 1.00 54.13 C ATOM 345 C THR A 23 -9.207 0.558 -13.961 1.00 53.42 C ATOM 346 O THR A 23 -8.050 0.647 -14.370 1.00 15.22 O ATOM 347 CB THR A 23 -11.090 -0.806 -15.026 1.00 22.50 C ATOM 348 OG1 THR A 23 -11.845 -0.876 -13.819 1.00 42.55 O ATOM 349 CG2 THR A 23 -10.119 -1.985 -14.926 1.00 1.21 C ATOM 0 H THR A 23 -8.916 0.829 -16.417 1.00 74.43 H new ATOM 0 HA THR A 23 -11.089 1.280 -14.563 1.00 54.13 H new ATOM 0 HB THR A 23 -11.643 -0.869 -15.963 1.00 22.50 H new ATOM 0 HG1 THR A 23 -12.339 -1.722 -13.791 1.00 42.55 H new ATOM 0 HG21 THR A 23 -10.675 -2.920 -14.990 1.00 1.21 H new ATOM 0 HG22 THR A 23 -9.399 -1.934 -15.743 1.00 1.21 H new ATOM 0 HG23 THR A 23 -9.590 -1.941 -13.974 1.00 1.21 H new ATOM 357 N THR A 24 -9.547 0.468 -12.684 1.00 10.02 N ATOM 358 CA THR A 24 -8.537 0.468 -11.639 1.00 32.30 C ATOM 359 C THR A 24 -8.477 -0.900 -10.956 1.00 14.25 C ATOM 360 O THR A 24 -9.501 -1.426 -10.522 1.00 71.52 O ATOM 361 CB THR A 24 -8.852 1.615 -10.677 1.00 31.33 C ATOM 362 OG1 THR A 24 -10.121 1.269 -10.128 1.00 21.12 O ATOM 363 CG2 THR A 24 -9.108 2.936 -11.404 1.00 75.14 C ATOM 0 H THR A 24 -10.508 0.395 -12.349 1.00 10.02 H new ATOM 0 HA THR A 24 -7.541 0.635 -12.050 1.00 32.30 H new ATOM 0 HB THR A 24 -8.025 1.740 -9.979 1.00 31.33 H new ATOM 0 HG1 THR A 24 -10.249 0.299 -10.186 1.00 21.12 H new ATOM 0 HG21 THR A 24 -9.327 3.716 -10.675 1.00 75.14 H new ATOM 0 HG22 THR A 24 -8.223 3.213 -11.978 1.00 75.14 H new ATOM 0 HG23 THR A 24 -9.957 2.822 -12.078 1.00 75.14 H new ATOM 371 N ARG A 25 -7.268 -1.436 -10.880 1.00 51.24 N ATOM 372 CA ARG A 25 -7.061 -2.732 -10.257 1.00 54.01 C ATOM 373 C ARG A 25 -5.617 -2.862 -9.769 1.00 71.02 C ATOM 374 O ARG A 25 -4.691 -2.389 -10.427 1.00 32.44 O ATOM 375 CB ARG A 25 -7.366 -3.868 -11.235 1.00 74.41 C ATOM 376 CG ARG A 25 -8.492 -4.760 -10.706 1.00 43.20 C ATOM 377 CD ARG A 25 -9.741 -4.644 -11.582 1.00 0.43 C ATOM 378 NE ARG A 25 -10.303 -5.988 -11.843 1.00 11.45 N ATOM 379 CZ ARG A 25 -11.583 -6.215 -12.206 1.00 71.10 C ATOM 380 NH1 ARG A 25 -12.446 -5.188 -12.355 1.00 11.31 N ATOM 381 NH2 ARG A 25 -11.978 -7.457 -12.413 1.00 74.45 N ATOM 0 H ARG A 25 -6.421 -0.996 -11.240 1.00 51.24 H new ATOM 0 HA ARG A 25 -7.742 -2.805 -9.409 1.00 54.01 H new ATOM 0 HB2 ARG A 25 -7.650 -3.453 -12.202 1.00 74.41 H new ATOM 0 HB3 ARG A 25 -6.469 -4.466 -11.395 1.00 74.41 H new ATOM 0 HG2 ARG A 25 -8.157 -5.797 -10.679 1.00 43.20 H new ATOM 0 HG3 ARG A 25 -8.734 -4.477 -9.682 1.00 43.20 H new ATOM 0 HD2 ARG A 25 -10.485 -4.019 -11.088 1.00 0.43 H new ATOM 0 HD3 ARG A 25 -9.490 -4.156 -12.524 1.00 0.43 H new ATOM 0 HE ARG A 25 -9.685 -6.793 -11.742 1.00 11.45 H new ATOM 0 HH11 ARG A 25 -12.133 -4.231 -12.193 1.00 11.31 H new ATOM 0 HH12 ARG A 25 -13.412 -5.369 -12.630 1.00 11.31 H new ATOM 0 HH21 ARG A 25 -11.319 -8.227 -12.298 1.00 74.45 H new ATOM 0 HH22 ARG A 25 -12.942 -7.647 -12.688 1.00 74.45 H new ATOM 394 N VAL A 26 -5.470 -3.505 -8.620 1.00 61.33 N ATOM 395 CA VAL A 26 -4.154 -3.703 -8.037 1.00 30.42 C ATOM 396 C VAL A 26 -3.422 -4.806 -8.804 1.00 24.33 C ATOM 397 O VAL A 26 -3.412 -5.961 -8.380 1.00 2.24 O ATOM 398 CB VAL A 26 -4.284 -4.000 -6.541 1.00 60.34 C ATOM 399 CG1 VAL A 26 -2.934 -3.862 -5.836 1.00 3.34 C ATOM 400 CG2 VAL A 26 -5.337 -3.099 -5.893 1.00 62.11 C ATOM 0 H VAL A 26 -6.240 -3.895 -8.077 1.00 61.33 H new ATOM 0 HA VAL A 26 -3.557 -2.795 -8.124 1.00 30.42 H new ATOM 0 HB VAL A 26 -4.615 -5.033 -6.431 1.00 60.34 H new ATOM 0 HG11 VAL A 26 -3.054 -4.078 -4.774 1.00 3.34 H new ATOM 0 HG12 VAL A 26 -2.223 -4.564 -6.271 1.00 3.34 H new ATOM 0 HG13 VAL A 26 -2.561 -2.845 -5.959 1.00 3.34 H new ATOM 0 HG21 VAL A 26 -5.410 -3.330 -4.830 1.00 62.11 H new ATOM 0 HG22 VAL A 26 -5.049 -2.055 -6.018 1.00 62.11 H new ATOM 0 HG23 VAL A 26 -6.303 -3.269 -6.368 1.00 62.11 H new ATOM 410 N VAL A 27 -2.826 -4.412 -9.920 1.00 12.44 N ATOM 411 CA VAL A 27 -2.093 -5.352 -10.750 1.00 20.24 C ATOM 412 C VAL A 27 -0.592 -5.109 -10.585 1.00 5.52 C ATOM 413 O VAL A 27 -0.177 -4.035 -10.149 1.00 74.40 O ATOM 414 CB VAL A 27 -2.560 -5.243 -12.202 1.00 54.14 C ATOM 415 CG1 VAL A 27 -4.087 -5.186 -12.284 1.00 51.13 C ATOM 416 CG2 VAL A 27 -1.929 -4.032 -12.892 1.00 4.01 C ATOM 0 H VAL A 27 -2.836 -3.454 -10.269 1.00 12.44 H new ATOM 0 HA VAL A 27 -2.293 -6.376 -10.435 1.00 20.24 H new ATOM 0 HB VAL A 27 -2.229 -6.138 -12.728 1.00 54.14 H new ATOM 0 HG11 VAL A 27 -4.393 -5.109 -13.327 1.00 51.13 H new ATOM 0 HG12 VAL A 27 -4.509 -6.092 -11.848 1.00 51.13 H new ATOM 0 HG13 VAL A 27 -4.449 -4.317 -11.735 1.00 51.13 H new ATOM 0 HG21 VAL A 27 -2.278 -3.978 -13.923 1.00 4.01 H new ATOM 0 HG22 VAL A 27 -2.215 -3.122 -12.364 1.00 4.01 H new ATOM 0 HG23 VAL A 27 -0.844 -4.132 -12.881 1.00 4.01 H new ATOM 426 N SER A 28 0.183 -6.123 -10.942 1.00 12.51 N ATOM 427 CA SER A 28 1.629 -6.032 -10.839 1.00 4.10 C ATOM 428 C SER A 28 2.276 -6.476 -12.153 1.00 2.53 C ATOM 429 O SER A 28 1.872 -7.477 -12.741 1.00 20.44 O ATOM 430 CB SER A 28 2.153 -6.879 -9.677 1.00 51.42 C ATOM 431 OG SER A 28 3.317 -6.309 -9.084 1.00 33.14 O ATOM 0 H SER A 28 -0.164 -7.012 -11.303 1.00 12.51 H new ATOM 0 HA SER A 28 1.893 -4.993 -10.644 1.00 4.10 H new ATOM 0 HB2 SER A 28 1.374 -6.980 -8.922 1.00 51.42 H new ATOM 0 HB3 SER A 28 2.383 -7.883 -10.035 1.00 51.42 H new ATOM 0 HG SER A 28 3.620 -6.878 -8.346 1.00 33.14 H new ATOM 437 N PRO A 29 3.296 -5.687 -12.586 1.00 24.32 N ATOM 438 CA PRO A 29 3.712 -4.519 -11.829 1.00 43.43 C ATOM 439 C PRO A 29 2.711 -3.373 -11.995 1.00 23.43 C ATOM 440 O PRO A 29 2.016 -3.293 -13.006 1.00 61.13 O ATOM 441 CB PRO A 29 5.096 -4.179 -12.359 1.00 20.21 C ATOM 442 CG PRO A 29 5.211 -4.878 -13.704 1.00 33.43 C ATOM 443 CD PRO A 29 4.078 -5.887 -13.803 1.00 11.03 C ATOM 0 HA PRO A 29 3.745 -4.704 -10.755 1.00 43.43 H new ATOM 0 HB2 PRO A 29 5.219 -3.101 -12.467 1.00 20.21 H new ATOM 0 HB3 PRO A 29 5.872 -4.521 -11.674 1.00 20.21 H new ATOM 0 HG2 PRO A 29 5.150 -4.154 -14.517 1.00 33.43 H new ATOM 0 HG3 PRO A 29 6.176 -5.377 -13.794 1.00 33.43 H new ATOM 0 HD2 PRO A 29 3.474 -5.718 -14.694 1.00 11.03 H new ATOM 0 HD3 PRO A 29 4.460 -6.906 -13.865 1.00 11.03 H new ATOM 451 N THR A 30 2.670 -2.516 -10.986 1.00 11.23 N ATOM 452 CA THR A 30 1.766 -1.379 -11.007 1.00 14.44 C ATOM 453 C THR A 30 2.141 -0.420 -12.138 1.00 50.40 C ATOM 454 O THR A 30 3.231 0.151 -12.137 1.00 54.11 O ATOM 455 CB THR A 30 1.794 -0.727 -9.623 1.00 11.41 C ATOM 456 OG1 THR A 30 3.174 -0.723 -9.269 1.00 22.22 O ATOM 457 CG2 THR A 30 1.136 -1.598 -8.551 1.00 65.41 C ATOM 0 H THR A 30 3.248 -2.586 -10.149 1.00 11.23 H new ATOM 0 HA THR A 30 0.743 -1.691 -11.214 1.00 14.44 H new ATOM 0 HB THR A 30 1.288 0.238 -9.666 1.00 11.41 H new ATOM 0 HG1 THR A 30 3.697 -0.327 -9.997 1.00 22.22 H new ATOM 0 HG21 THR A 30 1.183 -1.088 -7.589 1.00 65.41 H new ATOM 0 HG22 THR A 30 0.094 -1.776 -8.816 1.00 65.41 H new ATOM 0 HG23 THR A 30 1.661 -2.551 -8.483 1.00 65.41 H new ATOM 465 N GLY A 31 1.217 -0.272 -13.076 1.00 43.03 N ATOM 466 CA GLY A 31 1.438 0.608 -14.211 1.00 55.14 C ATOM 467 C GLY A 31 0.806 1.981 -13.971 1.00 43.03 C ATOM 468 O GLY A 31 0.724 2.440 -12.833 1.00 62.10 O ATOM 0 H GLY A 31 0.314 -0.746 -13.073 1.00 43.03 H new ATOM 0 HA2 GLY A 31 2.508 0.722 -14.385 1.00 55.14 H new ATOM 0 HA3 GLY A 31 1.015 0.161 -15.110 1.00 55.14 H new ATOM 472 N ILE A 32 0.377 2.598 -15.062 1.00 54.21 N ATOM 473 CA ILE A 32 -0.245 3.909 -14.984 1.00 43.45 C ATOM 474 C ILE A 32 -1.170 3.959 -13.767 1.00 1.31 C ATOM 475 O ILE A 32 -1.835 2.975 -13.448 1.00 12.33 O ATOM 476 CB ILE A 32 -0.943 4.250 -16.302 1.00 54.13 C ATOM 477 CG1 ILE A 32 0.063 4.331 -17.452 1.00 22.13 C ATOM 478 CG2 ILE A 32 -1.767 5.533 -16.170 1.00 72.34 C ATOM 479 CD1 ILE A 32 -0.645 4.584 -18.784 1.00 72.41 C ATOM 0 H ILE A 32 0.448 2.215 -16.005 1.00 54.21 H new ATOM 0 HA ILE A 32 0.511 4.681 -14.841 1.00 43.45 H new ATOM 0 HB ILE A 32 -1.637 3.444 -16.539 1.00 54.13 H new ATOM 0 HG12 ILE A 32 0.778 5.131 -17.259 1.00 22.13 H new ATOM 0 HG13 ILE A 32 0.631 3.402 -17.509 1.00 22.13 H new ATOM 0 HG21 ILE A 32 -2.253 5.753 -17.121 1.00 72.34 H new ATOM 0 HG22 ILE A 32 -2.525 5.401 -15.397 1.00 72.34 H new ATOM 0 HG23 ILE A 32 -1.111 6.360 -15.898 1.00 72.34 H new ATOM 0 HD11 ILE A 32 0.093 4.637 -19.584 1.00 72.41 H new ATOM 0 HD12 ILE A 32 -1.341 3.770 -18.986 1.00 72.41 H new ATOM 0 HD13 ILE A 32 -1.192 5.525 -18.732 1.00 72.41 H new ATOM 491 N PRO A 33 -1.183 5.146 -13.103 1.00 43.21 N ATOM 492 CA PRO A 33 -2.015 5.337 -11.928 1.00 13.43 C ATOM 493 C PRO A 33 -3.486 5.500 -12.318 1.00 2.21 C ATOM 494 O PRO A 33 -3.793 5.980 -13.408 1.00 0.42 O ATOM 495 CB PRO A 33 -1.445 6.565 -11.237 1.00 4.02 C ATOM 496 CG PRO A 33 -0.615 7.286 -12.287 1.00 2.25 C ATOM 497 CD PRO A 33 -0.408 6.333 -13.452 1.00 41.34 C ATOM 0 HA PRO A 33 -2.000 4.477 -11.259 1.00 13.43 H new ATOM 0 HB2 PRO A 33 -2.242 7.207 -10.861 1.00 4.02 H new ATOM 0 HB3 PRO A 33 -0.832 6.282 -10.381 1.00 4.02 H new ATOM 0 HG2 PRO A 33 -1.123 8.191 -12.620 1.00 2.25 H new ATOM 0 HG3 PRO A 33 0.344 7.594 -11.870 1.00 2.25 H new ATOM 0 HD2 PRO A 33 -0.755 6.771 -14.388 1.00 41.34 H new ATOM 0 HD3 PRO A 33 0.647 6.092 -13.584 1.00 41.34 H new ATOM 505 N ALA A 34 -4.356 5.091 -11.406 1.00 44.01 N ATOM 506 CA ALA A 34 -5.786 5.186 -11.641 1.00 74.41 C ATOM 507 C ALA A 34 -6.180 6.658 -11.779 1.00 20.32 C ATOM 508 O ALA A 34 -7.281 6.970 -12.230 1.00 1.12 O ATOM 509 CB ALA A 34 -6.538 4.485 -10.507 1.00 65.23 C ATOM 0 H ALA A 34 -4.098 4.693 -10.503 1.00 44.01 H new ATOM 0 HA ALA A 34 -6.056 4.684 -12.570 1.00 74.41 H new ATOM 0 HB1 ALA A 34 -7.611 4.556 -10.683 1.00 65.23 H new ATOM 0 HB2 ALA A 34 -6.245 3.436 -10.470 1.00 65.23 H new ATOM 0 HB3 ALA A 34 -6.294 4.963 -9.558 1.00 65.23 H new ATOM 515 N GLU A 35 -5.259 7.523 -11.382 1.00 4.12 N ATOM 516 CA GLU A 35 -5.496 8.955 -11.455 1.00 65.23 C ATOM 517 C GLU A 35 -5.223 9.466 -12.871 1.00 45.13 C ATOM 518 O GLU A 35 -5.585 10.592 -13.209 1.00 73.23 O ATOM 519 CB GLU A 35 -4.645 9.705 -10.428 1.00 70.32 C ATOM 520 CG GLU A 35 -3.199 9.843 -10.909 1.00 72.33 C ATOM 521 CD GLU A 35 -2.230 9.895 -9.726 1.00 73.23 C ATOM 522 OE1 GLU A 35 -1.007 9.916 -9.927 1.00 61.25 O ATOM 523 OE2 GLU A 35 -2.790 9.915 -8.564 1.00 65.20 O ATOM 0 H GLU A 35 -4.347 7.260 -11.009 1.00 4.12 H new ATOM 0 HA GLU A 35 -6.543 9.143 -11.217 1.00 65.23 H new ATOM 0 HB2 GLU A 35 -5.069 10.693 -10.252 1.00 70.32 H new ATOM 0 HB3 GLU A 35 -4.666 9.174 -9.476 1.00 70.32 H new ATOM 0 HG2 GLU A 35 -2.945 9.002 -11.555 1.00 72.33 H new ATOM 0 HG3 GLU A 35 -3.096 10.748 -11.508 1.00 72.33 H new ATOM 531 N ASP A 36 -4.585 8.614 -13.661 1.00 54.31 N ATOM 532 CA ASP A 36 -4.260 8.966 -15.033 1.00 24.22 C ATOM 533 C ASP A 36 -5.361 8.451 -15.962 1.00 1.01 C ATOM 534 O ASP A 36 -5.345 8.726 -17.161 1.00 31.52 O ATOM 535 CB ASP A 36 -2.939 8.327 -15.466 1.00 43.01 C ATOM 536 CG ASP A 36 -1.728 9.263 -15.438 1.00 73.53 C ATOM 537 OD1 ASP A 36 -1.626 10.149 -14.577 1.00 62.22 O ATOM 538 OD2 ASP A 36 -0.854 9.050 -16.363 1.00 10.41 O ATOM 0 H ASP A 36 -4.285 7.681 -13.377 1.00 54.31 H new ATOM 0 HA ASP A 36 -4.173 10.051 -15.092 1.00 24.22 H new ATOM 0 HB2 ASP A 36 -2.735 7.475 -14.818 1.00 43.01 H new ATOM 0 HB3 ASP A 36 -3.055 7.938 -16.478 1.00 43.01 H new ATOM 544 N ILE A 37 -6.291 7.714 -15.373 1.00 61.41 N ATOM 545 CA ILE A 37 -7.398 7.158 -16.133 1.00 63.01 C ATOM 546 C ILE A 37 -8.099 8.281 -16.899 1.00 53.23 C ATOM 547 O ILE A 37 -8.355 8.156 -18.096 1.00 20.32 O ATOM 548 CB ILE A 37 -8.330 6.362 -15.218 1.00 12.24 C ATOM 549 CG1 ILE A 37 -7.920 4.889 -15.164 1.00 0.22 C ATOM 550 CG2 ILE A 37 -9.791 6.535 -15.639 1.00 1.53 C ATOM 551 CD1 ILE A 37 -9.050 4.026 -14.599 1.00 61.44 C ATOM 0 H ILE A 37 -6.301 7.489 -14.378 1.00 61.41 H new ATOM 0 HA ILE A 37 -7.033 6.446 -16.873 1.00 63.01 H new ATOM 0 HB ILE A 37 -8.237 6.759 -14.207 1.00 12.24 H new ATOM 0 HG12 ILE A 37 -7.659 4.544 -16.164 1.00 0.22 H new ATOM 0 HG13 ILE A 37 -7.029 4.778 -14.546 1.00 0.22 H new ATOM 0 HG21 ILE A 37 -10.432 5.959 -14.972 1.00 1.53 H new ATOM 0 HG22 ILE A 37 -10.063 7.589 -15.583 1.00 1.53 H new ATOM 0 HG23 ILE A 37 -9.919 6.181 -16.662 1.00 1.53 H new ATOM 0 HD11 ILE A 37 -8.733 2.984 -14.571 1.00 61.44 H new ATOM 0 HD12 ILE A 37 -9.292 4.359 -13.590 1.00 61.44 H new ATOM 0 HD13 ILE A 37 -9.932 4.120 -15.233 1.00 61.44 H new ATOM 563 N PRO A 38 -8.398 9.382 -16.159 1.00 54.21 N ATOM 564 CA PRO A 38 -9.065 10.527 -16.756 1.00 35.30 C ATOM 565 C PRO A 38 -8.099 11.332 -17.627 1.00 1.14 C ATOM 566 O PRO A 38 -8.510 12.258 -18.323 1.00 52.55 O ATOM 567 CB PRO A 38 -9.610 11.322 -15.581 1.00 23.05 C ATOM 568 CG PRO A 38 -8.834 10.848 -14.362 1.00 13.20 C ATOM 569 CD PRO A 38 -8.111 9.566 -14.740 1.00 23.04 C ATOM 0 HA PRO A 38 -9.870 10.239 -17.432 1.00 35.30 H new ATOM 0 HB2 PRO A 38 -9.476 12.392 -15.738 1.00 23.05 H new ATOM 0 HB3 PRO A 38 -10.679 11.150 -15.455 1.00 23.05 H new ATOM 0 HG2 PRO A 38 -8.121 11.609 -14.044 1.00 13.20 H new ATOM 0 HG3 PRO A 38 -9.509 10.673 -13.524 1.00 13.20 H new ATOM 0 HD2 PRO A 38 -7.039 9.648 -14.560 1.00 23.04 H new ATOM 0 HD3 PRO A 38 -8.469 8.721 -14.151 1.00 23.04 H new ATOM 577 N ARG A 39 -6.832 10.949 -17.558 1.00 53.44 N ATOM 578 CA ARG A 39 -5.804 11.624 -18.332 1.00 1.31 C ATOM 579 C ARG A 39 -5.516 10.851 -19.620 1.00 43.24 C ATOM 580 O ARG A 39 -4.967 11.405 -20.571 1.00 41.55 O ATOM 581 CB ARG A 39 -4.510 11.761 -17.527 1.00 21.20 C ATOM 582 CG ARG A 39 -4.721 12.644 -16.296 1.00 2.42 C ATOM 583 CD ARG A 39 -3.454 12.704 -15.440 1.00 44.24 C ATOM 584 NE ARG A 39 -2.431 13.540 -16.108 1.00 70.14 N ATOM 585 CZ ARG A 39 -1.545 13.072 -17.013 1.00 5.51 C ATOM 586 NH1 ARG A 39 -1.548 11.769 -17.366 1.00 0.45 N ATOM 587 NH2 ARG A 39 -0.674 13.909 -17.547 1.00 71.32 N ATOM 0 H ARG A 39 -6.494 10.180 -16.978 1.00 53.44 H new ATOM 0 HA ARG A 39 -6.173 12.620 -18.577 1.00 1.31 H new ATOM 0 HB2 ARG A 39 -4.164 10.775 -17.217 1.00 21.20 H new ATOM 0 HB3 ARG A 39 -3.730 12.189 -18.156 1.00 21.20 H new ATOM 0 HG2 ARG A 39 -5.000 13.650 -16.609 1.00 2.42 H new ATOM 0 HG3 ARG A 39 -5.547 12.254 -15.702 1.00 2.42 H new ATOM 0 HD2 ARG A 39 -3.688 13.116 -14.458 1.00 44.24 H new ATOM 0 HD3 ARG A 39 -3.066 11.698 -15.280 1.00 44.24 H new ATOM 0 HE ARG A 39 -2.393 14.531 -15.870 1.00 70.14 H new ATOM 0 HH11 ARG A 39 -2.223 11.129 -16.948 1.00 0.45 H new ATOM 0 HH12 ARG A 39 -0.875 11.425 -18.051 1.00 0.45 H new ATOM 0 HH21 ARG A 39 -0.678 14.892 -17.274 1.00 71.32 H new ATOM 0 HH22 ARG A 39 0.003 13.573 -18.232 1.00 71.32 H new ATOM 600 N LEU A 40 -5.899 9.583 -19.610 1.00 61.01 N ATOM 601 CA LEU A 40 -5.688 8.728 -20.766 1.00 55.21 C ATOM 602 C LEU A 40 -6.846 8.914 -21.749 1.00 61.54 C ATOM 603 O LEU A 40 -6.697 8.659 -22.944 1.00 14.34 O ATOM 604 CB LEU A 40 -5.480 7.277 -20.329 1.00 4.05 C ATOM 605 CG LEU A 40 -4.241 7.006 -19.472 1.00 50.40 C ATOM 606 CD1 LEU A 40 -4.394 5.705 -18.682 1.00 53.12 C ATOM 607 CD2 LEU A 40 -2.972 7.012 -20.326 1.00 43.23 C ATOM 0 H LEU A 40 -6.354 9.127 -18.820 1.00 61.01 H new ATOM 0 HA LEU A 40 -4.775 9.013 -21.289 1.00 55.21 H new ATOM 0 HB2 LEU A 40 -6.360 6.956 -19.772 1.00 4.05 H new ATOM 0 HB3 LEU A 40 -5.423 6.654 -21.222 1.00 4.05 H new ATOM 0 HG LEU A 40 -4.145 7.813 -18.746 1.00 50.40 H new ATOM 0 HD11 LEU A 40 -3.500 5.537 -18.082 1.00 53.12 H new ATOM 0 HD12 LEU A 40 -5.262 5.777 -18.027 1.00 53.12 H new ATOM 0 HD13 LEU A 40 -4.529 4.873 -19.373 1.00 53.12 H new ATOM 0 HD21 LEU A 40 -2.106 6.817 -19.693 1.00 43.23 H new ATOM 0 HD22 LEU A 40 -3.044 6.238 -21.090 1.00 43.23 H new ATOM 0 HD23 LEU A 40 -2.860 7.985 -20.804 1.00 43.23 H new ATOM 619 N ILE A 41 -7.973 9.355 -21.211 1.00 0.13 N ATOM 620 CA ILE A 41 -9.155 9.577 -22.026 1.00 12.43 C ATOM 621 C ILE A 41 -8.808 10.531 -23.171 1.00 11.14 C ATOM 622 O ILE A 41 -8.128 11.535 -22.963 1.00 34.04 O ATOM 623 CB ILE A 41 -10.321 10.056 -21.159 1.00 14.13 C ATOM 624 CG1 ILE A 41 -10.546 9.115 -19.973 1.00 42.03 C ATOM 625 CG2 ILE A 41 -11.589 10.236 -21.996 1.00 33.01 C ATOM 626 CD1 ILE A 41 -11.980 9.223 -19.452 1.00 32.43 C ATOM 0 H ILE A 41 -8.093 9.565 -20.220 1.00 0.13 H new ATOM 0 HA ILE A 41 -9.487 8.642 -22.478 1.00 12.43 H new ATOM 0 HB ILE A 41 -10.063 11.033 -20.750 1.00 14.13 H new ATOM 0 HG12 ILE A 41 -10.341 8.088 -20.275 1.00 42.03 H new ATOM 0 HG13 ILE A 41 -9.846 9.358 -19.174 1.00 42.03 H new ATOM 0 HG21 ILE A 41 -12.402 10.577 -21.356 1.00 33.01 H new ATOM 0 HG22 ILE A 41 -11.408 10.975 -22.777 1.00 33.01 H new ATOM 0 HG23 ILE A 41 -11.861 9.285 -22.453 1.00 33.01 H new ATOM 0 HD11 ILE A 41 -12.113 8.544 -18.610 1.00 32.43 H new ATOM 0 HD12 ILE A 41 -12.173 10.246 -19.128 1.00 32.43 H new ATOM 0 HD13 ILE A 41 -12.677 8.956 -20.247 1.00 32.43 H new ATOM 638 N SER A 42 -9.291 10.184 -24.355 1.00 23.34 N ATOM 639 CA SER A 42 -9.040 10.996 -25.533 1.00 1.33 C ATOM 640 C SER A 42 -7.686 10.628 -26.144 1.00 15.20 C ATOM 641 O SER A 42 -7.369 11.047 -27.256 1.00 40.01 O ATOM 642 CB SER A 42 -9.081 12.487 -25.192 1.00 44.32 C ATOM 643 OG SER A 42 -9.509 13.276 -26.299 1.00 42.20 O ATOM 0 H SER A 42 -9.855 9.351 -24.524 1.00 23.34 H new ATOM 0 HA SER A 42 -9.826 10.795 -26.261 1.00 1.33 H new ATOM 0 HB2 SER A 42 -9.754 12.648 -24.350 1.00 44.32 H new ATOM 0 HB3 SER A 42 -8.091 12.814 -24.875 1.00 44.32 H new ATOM 0 HG SER A 42 -9.523 14.221 -26.041 1.00 42.20 H new ATOM 649 N MET A 43 -6.925 9.849 -25.390 1.00 72.22 N ATOM 650 CA MET A 43 -5.613 9.419 -25.844 1.00 12.53 C ATOM 651 C MET A 43 -5.662 7.991 -26.389 1.00 22.54 C ATOM 652 O MET A 43 -6.238 7.103 -25.762 1.00 75.22 O ATOM 653 CB MET A 43 -4.623 9.489 -24.680 1.00 24.32 C ATOM 654 CG MET A 43 -4.863 10.738 -23.829 1.00 21.51 C ATOM 655 SD MET A 43 -3.303 11.420 -23.292 1.00 54.03 S ATOM 656 CE MET A 43 -2.464 9.924 -22.797 1.00 55.30 C ATOM 0 H MET A 43 -7.191 9.504 -24.468 1.00 72.22 H new ATOM 0 HA MET A 43 -5.291 10.082 -26.647 1.00 12.53 H new ATOM 0 HB2 MET A 43 -4.722 8.598 -24.060 1.00 24.32 H new ATOM 0 HB3 MET A 43 -3.603 9.498 -25.065 1.00 24.32 H new ATOM 0 HG2 MET A 43 -5.415 11.480 -24.406 1.00 21.51 H new ATOM 0 HG3 MET A 43 -5.476 10.486 -22.964 1.00 21.51 H new ATOM 0 HE1 MET A 43 -1.886 10.113 -21.893 1.00 55.30 H new ATOM 0 HE2 MET A 43 -3.198 9.143 -22.601 1.00 55.30 H new ATOM 0 HE3 MET A 43 -1.795 9.601 -23.594 1.00 55.30 H new ATOM 666 N GLN A 44 -5.049 7.813 -27.550 1.00 23.24 N ATOM 667 CA GLN A 44 -5.015 6.507 -28.186 1.00 22.12 C ATOM 668 C GLN A 44 -3.767 5.736 -27.750 1.00 13.15 C ATOM 669 O GLN A 44 -2.732 6.335 -27.462 1.00 40.15 O ATOM 670 CB GLN A 44 -5.074 6.637 -29.709 1.00 42.51 C ATOM 671 CG GLN A 44 -6.134 7.657 -30.131 1.00 60.44 C ATOM 672 CD GLN A 44 -6.114 7.872 -31.646 1.00 54.40 C ATOM 673 OE1 GLN A 44 -5.883 8.964 -32.141 1.00 34.53 O ATOM 674 NE2 GLN A 44 -6.369 6.774 -32.352 1.00 42.52 N ATOM 0 H GLN A 44 -4.572 8.552 -28.067 1.00 23.24 H new ATOM 0 HA GLN A 44 -5.894 5.947 -27.867 1.00 22.12 H new ATOM 0 HB2 GLN A 44 -4.099 6.941 -30.090 1.00 42.51 H new ATOM 0 HB3 GLN A 44 -5.300 5.667 -30.152 1.00 42.51 H new ATOM 0 HG2 GLN A 44 -7.120 7.311 -29.822 1.00 60.44 H new ATOM 0 HG3 GLN A 44 -5.955 8.605 -29.623 1.00 60.44 H new ATOM 0 HE21 GLN A 44 -6.554 5.892 -31.874 1.00 42.52 H new ATOM 0 HE22 GLN A 44 -6.379 6.814 -33.371 1.00 42.52 H new ATOM 683 N VAL A 45 -3.907 4.419 -27.713 1.00 41.14 N ATOM 684 CA VAL A 45 -2.804 3.560 -27.317 1.00 10.11 C ATOM 685 C VAL A 45 -1.884 3.332 -28.518 1.00 5.44 C ATOM 686 O VAL A 45 -2.308 3.466 -29.664 1.00 53.22 O ATOM 687 CB VAL A 45 -3.343 2.258 -26.721 1.00 61.13 C ATOM 688 CG1 VAL A 45 -3.922 2.492 -25.325 1.00 12.23 C ATOM 689 CG2 VAL A 45 -4.382 1.621 -27.646 1.00 62.41 C ATOM 0 H VAL A 45 -4.768 3.926 -27.951 1.00 41.14 H new ATOM 0 HA VAL A 45 -2.209 4.037 -26.538 1.00 10.11 H new ATOM 0 HB VAL A 45 -2.509 1.563 -26.625 1.00 61.13 H new ATOM 0 HG11 VAL A 45 -4.298 1.551 -24.925 1.00 12.23 H new ATOM 0 HG12 VAL A 45 -3.143 2.880 -24.669 1.00 12.23 H new ATOM 0 HG13 VAL A 45 -4.738 3.212 -25.386 1.00 12.23 H new ATOM 0 HG21 VAL A 45 -4.749 0.697 -27.199 1.00 62.41 H new ATOM 0 HG22 VAL A 45 -5.214 2.311 -27.788 1.00 62.41 H new ATOM 0 HG23 VAL A 45 -3.924 1.401 -28.610 1.00 62.41 H new ATOM 699 N ASN A 46 -0.640 2.992 -28.213 1.00 42.20 N ATOM 700 CA ASN A 46 0.344 2.745 -29.253 1.00 24.40 C ATOM 701 C ASN A 46 0.630 1.244 -29.332 1.00 21.42 C ATOM 702 O ASN A 46 1.740 0.836 -29.671 1.00 1.40 O ATOM 703 CB ASN A 46 1.661 3.461 -28.947 1.00 1.10 C ATOM 704 CG ASN A 46 2.325 2.879 -27.697 1.00 73.35 C ATOM 705 OD1 ASN A 46 2.489 1.678 -27.552 1.00 53.52 O ATOM 706 ND2 ASN A 46 2.696 3.793 -26.806 1.00 40.21 N ATOM 0 H ASN A 46 -0.291 2.882 -27.261 1.00 42.20 H new ATOM 0 HA ASN A 46 -0.059 3.119 -30.194 1.00 24.40 H new ATOM 0 HB2 ASN A 46 2.336 3.368 -29.798 1.00 1.10 H new ATOM 0 HB3 ASN A 46 1.475 4.525 -28.802 1.00 1.10 H new ATOM 0 HD21 ASN A 46 3.148 3.505 -25.938 1.00 40.21 H new ATOM 0 HD22 ASN A 46 2.529 4.782 -26.990 1.00 40.21 H new ATOM 713 N GLN A 47 -0.391 0.462 -29.013 1.00 21.22 N ATOM 714 CA GLN A 47 -0.263 -0.985 -29.043 1.00 74.32 C ATOM 715 C GLN A 47 -1.602 -1.643 -28.704 1.00 33.44 C ATOM 716 O GLN A 47 -2.447 -1.037 -28.047 1.00 54.44 O ATOM 717 CB GLN A 47 0.837 -1.459 -28.092 1.00 2.11 C ATOM 718 CG GLN A 47 0.674 -2.944 -27.761 1.00 4.21 C ATOM 719 CD GLN A 47 1.856 -3.454 -26.934 1.00 0.15 C ATOM 720 OE1 GLN A 47 2.451 -4.480 -27.220 1.00 34.12 O ATOM 721 NE2 GLN A 47 2.162 -2.682 -25.894 1.00 61.24 N ATOM 0 H GLN A 47 -1.310 0.803 -28.733 1.00 21.22 H new ATOM 0 HA GLN A 47 0.022 -1.284 -30.052 1.00 74.32 H new ATOM 0 HB2 GLN A 47 1.813 -1.289 -28.546 1.00 2.11 H new ATOM 0 HB3 GLN A 47 0.806 -0.873 -27.174 1.00 2.11 H new ATOM 0 HG2 GLN A 47 -0.254 -3.098 -27.210 1.00 4.21 H new ATOM 0 HG3 GLN A 47 0.596 -3.519 -28.683 1.00 4.21 H new ATOM 0 HE21 GLN A 47 1.623 -1.836 -25.711 1.00 61.24 H new ATOM 0 HE22 GLN A 47 2.936 -2.937 -25.280 1.00 61.24 H new ATOM 730 N VAL A 48 -1.754 -2.876 -29.166 1.00 3.23 N ATOM 731 CA VAL A 48 -2.975 -3.623 -28.919 1.00 54.31 C ATOM 732 C VAL A 48 -2.993 -4.097 -27.465 1.00 31.34 C ATOM 733 O VAL A 48 -2.405 -5.127 -27.137 1.00 12.33 O ATOM 734 CB VAL A 48 -3.099 -4.770 -29.924 1.00 12.02 C ATOM 735 CG1 VAL A 48 -3.991 -5.886 -29.375 1.00 3.41 C ATOM 736 CG2 VAL A 48 -3.620 -4.265 -31.271 1.00 65.01 C ATOM 0 H VAL A 48 -1.051 -3.376 -29.710 1.00 3.23 H new ATOM 0 HA VAL A 48 -3.848 -2.986 -29.064 1.00 54.31 H new ATOM 0 HB VAL A 48 -2.104 -5.184 -30.084 1.00 12.02 H new ATOM 0 HG11 VAL A 48 -4.062 -6.689 -30.109 1.00 3.41 H new ATOM 0 HG12 VAL A 48 -3.561 -6.275 -28.452 1.00 3.41 H new ATOM 0 HG13 VAL A 48 -4.986 -5.490 -29.172 1.00 3.41 H new ATOM 0 HG21 VAL A 48 -3.699 -5.100 -31.967 1.00 65.01 H new ATOM 0 HG22 VAL A 48 -4.602 -3.812 -31.135 1.00 65.01 H new ATOM 0 HG23 VAL A 48 -2.931 -3.522 -31.672 1.00 65.01 H new ATOM 746 N VAL A 49 -3.674 -3.324 -26.632 1.00 2.04 N ATOM 747 CA VAL A 49 -3.776 -3.652 -25.220 1.00 21.42 C ATOM 748 C VAL A 49 -5.062 -4.445 -24.977 1.00 24.23 C ATOM 749 O VAL A 49 -6.161 -3.919 -25.143 1.00 3.44 O ATOM 750 CB VAL A 49 -3.692 -2.377 -24.378 1.00 63.25 C ATOM 751 CG1 VAL A 49 -3.857 -2.690 -22.890 1.00 70.51 C ATOM 752 CG2 VAL A 49 -2.381 -1.633 -24.640 1.00 65.41 C ATOM 0 H VAL A 49 -4.161 -2.471 -26.908 1.00 2.04 H new ATOM 0 HA VAL A 49 -2.942 -4.283 -24.914 1.00 21.42 H new ATOM 0 HB VAL A 49 -4.513 -1.725 -24.675 1.00 63.25 H new ATOM 0 HG11 VAL A 49 -3.793 -1.766 -22.315 1.00 70.51 H new ATOM 0 HG12 VAL A 49 -4.828 -3.156 -22.722 1.00 70.51 H new ATOM 0 HG13 VAL A 49 -3.068 -3.371 -22.572 1.00 70.51 H new ATOM 0 HG21 VAL A 49 -2.346 -0.731 -24.029 1.00 65.41 H new ATOM 0 HG22 VAL A 49 -1.540 -2.277 -24.384 1.00 65.41 H new ATOM 0 HG23 VAL A 49 -2.322 -1.360 -25.694 1.00 65.41 H new ATOM 762 N PRO A 50 -4.877 -5.732 -24.577 1.00 45.10 N ATOM 763 CA PRO A 50 -6.008 -6.603 -24.309 1.00 55.34 C ATOM 764 C PRO A 50 -6.671 -6.247 -22.977 1.00 25.45 C ATOM 765 O PRO A 50 -6.078 -5.555 -22.150 1.00 54.44 O ATOM 766 CB PRO A 50 -5.436 -8.010 -24.332 1.00 22.43 C ATOM 767 CG PRO A 50 -3.935 -7.853 -24.148 1.00 51.13 C ATOM 768 CD PRO A 50 -3.590 -6.390 -24.370 1.00 45.51 C ATOM 0 HA PRO A 50 -6.803 -6.500 -25.048 1.00 55.34 H new ATOM 0 HB2 PRO A 50 -5.865 -8.619 -23.537 1.00 22.43 H new ATOM 0 HB3 PRO A 50 -5.664 -8.509 -25.274 1.00 22.43 H new ATOM 0 HG2 PRO A 50 -3.638 -8.168 -23.148 1.00 51.13 H new ATOM 0 HG3 PRO A 50 -3.396 -8.484 -24.854 1.00 51.13 H new ATOM 0 HD2 PRO A 50 -3.066 -5.972 -23.511 1.00 45.51 H new ATOM 0 HD3 PRO A 50 -2.937 -6.264 -25.234 1.00 45.51 H new ATOM 776 N MET A 51 -7.890 -6.738 -22.809 1.00 24.25 N ATOM 777 CA MET A 51 -8.638 -6.481 -21.590 1.00 74.40 C ATOM 778 C MET A 51 -7.972 -7.150 -20.386 1.00 11.12 C ATOM 779 O MET A 51 -7.841 -8.372 -20.344 1.00 21.23 O ATOM 780 CB MET A 51 -10.064 -7.014 -21.745 1.00 54.53 C ATOM 781 CG MET A 51 -10.862 -6.830 -20.452 1.00 62.33 C ATOM 782 SD MET A 51 -12.275 -7.920 -20.447 1.00 75.03 S ATOM 783 CE MET A 51 -13.176 -7.265 -21.842 1.00 75.32 C ATOM 0 H MET A 51 -8.378 -7.312 -23.496 1.00 24.25 H new ATOM 0 HA MET A 51 -8.658 -5.405 -21.419 1.00 74.40 H new ATOM 0 HB2 MET A 51 -10.564 -6.494 -22.562 1.00 54.53 H new ATOM 0 HB3 MET A 51 -10.034 -8.071 -22.011 1.00 54.53 H new ATOM 0 HG2 MET A 51 -10.228 -7.039 -19.591 1.00 62.33 H new ATOM 0 HG3 MET A 51 -11.191 -5.795 -20.362 1.00 62.33 H new ATOM 0 HE1 MET A 51 -14.038 -7.899 -22.048 1.00 75.32 H new ATOM 0 HE2 MET A 51 -13.515 -6.254 -21.614 1.00 75.32 H new ATOM 0 HE3 MET A 51 -12.526 -7.241 -22.716 1.00 75.32 H new ATOM 793 N GLY A 52 -7.569 -6.319 -19.436 1.00 41.31 N ATOM 794 CA GLY A 52 -6.919 -6.814 -18.234 1.00 55.03 C ATOM 795 C GLY A 52 -5.431 -6.461 -18.230 1.00 42.23 C ATOM 796 O GLY A 52 -4.771 -6.551 -17.196 1.00 65.04 O ATOM 0 H GLY A 52 -7.680 -5.306 -19.474 1.00 41.31 H new ATOM 0 HA2 GLY A 52 -7.400 -6.387 -17.354 1.00 55.03 H new ATOM 0 HA3 GLY A 52 -7.040 -7.895 -18.170 1.00 55.03 H new ATOM 800 N THR A 53 -4.946 -6.066 -19.398 1.00 62.03 N ATOM 801 CA THR A 53 -3.547 -5.699 -19.543 1.00 13.15 C ATOM 802 C THR A 53 -3.286 -4.333 -18.905 1.00 52.22 C ATOM 803 O THR A 53 -3.863 -3.329 -19.321 1.00 72.22 O ATOM 804 CB THR A 53 -3.195 -5.753 -21.030 1.00 55.55 C ATOM 805 OG1 THR A 53 -3.039 -7.143 -21.300 1.00 52.14 O ATOM 806 CG2 THR A 53 -1.817 -5.158 -21.328 1.00 74.11 C ATOM 0 H THR A 53 -5.497 -5.992 -20.253 1.00 62.03 H new ATOM 0 HA THR A 53 -2.898 -6.398 -19.016 1.00 13.15 H new ATOM 0 HB THR A 53 -3.953 -5.217 -21.602 1.00 55.55 H new ATOM 0 HG1 THR A 53 -2.192 -7.292 -21.770 1.00 52.14 H new ATOM 0 HG21 THR A 53 -1.617 -5.221 -22.398 1.00 74.11 H new ATOM 0 HG22 THR A 53 -1.796 -4.114 -21.016 1.00 74.11 H new ATOM 0 HG23 THR A 53 -1.055 -5.714 -20.783 1.00 74.11 H new ATOM 814 N THR A 54 -2.416 -4.338 -17.906 1.00 32.20 N ATOM 815 CA THR A 54 -2.072 -3.112 -17.207 1.00 44.20 C ATOM 816 C THR A 54 -1.708 -2.012 -18.207 1.00 23.51 C ATOM 817 O THR A 54 -1.038 -2.273 -19.205 1.00 23.01 O ATOM 818 CB THR A 54 -0.948 -3.431 -16.219 1.00 1.41 C ATOM 819 OG1 THR A 54 -1.424 -4.569 -15.507 1.00 73.40 O ATOM 820 CG2 THR A 54 -0.793 -2.356 -15.141 1.00 52.52 C ATOM 0 H THR A 54 -1.939 -5.172 -17.564 1.00 32.20 H new ATOM 0 HA THR A 54 -2.921 -2.727 -16.643 1.00 44.20 H new ATOM 0 HB THR A 54 -0.009 -3.540 -16.761 1.00 1.41 H new ATOM 0 HG1 THR A 54 -0.669 -5.033 -15.090 1.00 73.40 H new ATOM 0 HG21 THR A 54 0.018 -2.631 -14.466 1.00 52.52 H new ATOM 0 HG22 THR A 54 -0.565 -1.399 -15.611 1.00 52.52 H new ATOM 0 HG23 THR A 54 -1.721 -2.270 -14.576 1.00 52.52 H new ATOM 828 N LEU A 55 -2.166 -0.807 -17.904 1.00 44.42 N ATOM 829 CA LEU A 55 -1.897 0.334 -18.764 1.00 23.41 C ATOM 830 C LEU A 55 -0.515 0.902 -18.433 1.00 72.20 C ATOM 831 O LEU A 55 -0.204 1.149 -17.269 1.00 34.12 O ATOM 832 CB LEU A 55 -3.025 1.361 -18.660 1.00 15.13 C ATOM 833 CG LEU A 55 -3.486 1.988 -19.977 1.00 44.05 C ATOM 834 CD1 LEU A 55 -2.360 1.975 -21.013 1.00 62.13 C ATOM 835 CD2 LEU A 55 -4.751 1.304 -20.498 1.00 32.43 C ATOM 0 H LEU A 55 -2.722 -0.595 -17.075 1.00 44.42 H new ATOM 0 HA LEU A 55 -1.873 0.026 -19.809 1.00 23.41 H new ATOM 0 HB2 LEU A 55 -3.883 0.882 -18.189 1.00 15.13 H new ATOM 0 HB3 LEU A 55 -2.701 2.161 -17.994 1.00 15.13 H new ATOM 0 HG LEU A 55 -3.739 3.031 -19.788 1.00 44.05 H new ATOM 0 HD11 LEU A 55 -2.713 2.426 -21.940 1.00 62.13 H new ATOM 0 HD12 LEU A 55 -1.510 2.543 -20.634 1.00 62.13 H new ATOM 0 HD13 LEU A 55 -2.053 0.947 -21.204 1.00 62.13 H new ATOM 0 HD21 LEU A 55 -5.057 1.769 -21.435 1.00 32.43 H new ATOM 0 HD22 LEU A 55 -4.549 0.246 -20.667 1.00 32.43 H new ATOM 0 HD23 LEU A 55 -5.550 1.408 -19.764 1.00 32.43 H new ATOM 847 N MET A 56 0.277 1.093 -19.478 1.00 33.51 N ATOM 848 CA MET A 56 1.618 1.627 -19.313 1.00 12.12 C ATOM 849 C MET A 56 1.719 3.041 -19.890 1.00 24.35 C ATOM 850 O MET A 56 0.925 3.424 -20.747 1.00 65.43 O ATOM 851 CB MET A 56 2.622 0.714 -20.019 1.00 51.00 C ATOM 852 CG MET A 56 2.892 -0.546 -19.194 1.00 4.45 C ATOM 853 SD MET A 56 4.193 -0.233 -18.012 1.00 21.33 S ATOM 854 CE MET A 56 3.229 -0.114 -16.514 1.00 61.31 C ATOM 0 H MET A 56 0.015 0.887 -20.442 1.00 33.51 H new ATOM 0 HA MET A 56 1.843 1.672 -18.247 1.00 12.12 H new ATOM 0 HB2 MET A 56 2.238 0.435 -21.000 1.00 51.00 H new ATOM 0 HB3 MET A 56 3.555 1.252 -20.183 1.00 51.00 H new ATOM 0 HG2 MET A 56 1.984 -0.853 -18.675 1.00 4.45 H new ATOM 0 HG3 MET A 56 3.176 -1.367 -19.852 1.00 4.45 H new ATOM 0 HE1 MET A 56 3.841 -0.413 -15.663 1.00 61.31 H new ATOM 0 HE2 MET A 56 2.895 0.915 -16.377 1.00 61.31 H new ATOM 0 HE3 MET A 56 2.362 -0.770 -16.586 1.00 61.31 H new ATOM 864 N PRO A 57 2.729 3.797 -19.382 1.00 43.21 N ATOM 865 CA PRO A 57 2.945 5.160 -19.838 1.00 21.15 C ATOM 866 C PRO A 57 3.583 5.179 -21.228 1.00 61.11 C ATOM 867 O PRO A 57 3.457 6.160 -21.959 1.00 62.14 O ATOM 868 CB PRO A 57 3.823 5.796 -18.772 1.00 41.34 C ATOM 869 CG PRO A 57 4.447 4.643 -18.003 1.00 43.33 C ATOM 870 CD PRO A 57 3.689 3.377 -18.365 1.00 71.23 C ATOM 0 HA PRO A 57 2.015 5.717 -19.955 1.00 21.15 H new ATOM 0 HB2 PRO A 57 4.590 6.425 -19.223 1.00 41.34 H new ATOM 0 HB3 PRO A 57 3.235 6.433 -18.111 1.00 41.34 H new ATOM 0 HG2 PRO A 57 5.502 4.542 -18.257 1.00 43.33 H new ATOM 0 HG3 PRO A 57 4.393 4.826 -16.930 1.00 43.33 H new ATOM 0 HD2 PRO A 57 4.361 2.609 -18.748 1.00 71.23 H new ATOM 0 HD3 PRO A 57 3.185 2.955 -17.495 1.00 71.23 H new ATOM 878 N ASP A 58 4.254 4.083 -21.551 1.00 40.12 N ATOM 879 CA ASP A 58 4.912 3.961 -22.841 1.00 52.42 C ATOM 880 C ASP A 58 4.012 3.173 -23.795 1.00 42.12 C ATOM 881 O ASP A 58 4.463 2.719 -24.846 1.00 15.11 O ATOM 882 CB ASP A 58 6.239 3.211 -22.714 1.00 72.30 C ATOM 883 CG ASP A 58 7.487 4.054 -22.984 1.00 31.53 C ATOM 884 OD1 ASP A 58 8.499 3.940 -22.277 1.00 23.22 O ATOM 885 OD2 ASP A 58 7.391 4.866 -23.981 1.00 62.23 O ATOM 0 H ASP A 58 4.356 3.271 -20.942 1.00 40.12 H new ATOM 0 HA ASP A 58 5.101 4.966 -23.220 1.00 52.42 H new ATOM 0 HB2 ASP A 58 6.310 2.796 -21.709 1.00 72.30 H new ATOM 0 HB3 ASP A 58 6.231 2.369 -23.406 1.00 72.30 H new ATOM 891 N MET A 59 2.757 3.035 -23.395 1.00 32.31 N ATOM 892 CA MET A 59 1.790 2.309 -24.201 1.00 51.12 C ATOM 893 C MET A 59 0.666 3.234 -24.674 1.00 21.34 C ATOM 894 O MET A 59 -0.314 2.776 -25.260 1.00 1.23 O ATOM 895 CB MET A 59 1.197 1.163 -23.379 1.00 12.20 C ATOM 896 CG MET A 59 2.031 -0.110 -23.532 1.00 30.30 C ATOM 897 SD MET A 59 1.006 -1.547 -23.266 1.00 71.22 S ATOM 898 CE MET A 59 0.062 -0.998 -21.854 1.00 4.10 C ATOM 0 H MET A 59 2.387 3.414 -22.523 1.00 32.31 H new ATOM 0 HA MET A 59 2.301 1.912 -25.078 1.00 51.12 H new ATOM 0 HB2 MET A 59 1.153 1.449 -22.328 1.00 12.20 H new ATOM 0 HB3 MET A 59 0.173 0.972 -23.700 1.00 12.20 H new ATOM 0 HG2 MET A 59 2.473 -0.148 -24.528 1.00 30.30 H new ATOM 0 HG3 MET A 59 2.854 -0.103 -22.818 1.00 30.30 H new ATOM 0 HE1 MET A 59 -0.781 -1.671 -21.696 1.00 4.10 H new ATOM 0 HE2 MET A 59 0.698 -0.999 -20.969 1.00 4.10 H new ATOM 0 HE3 MET A 59 -0.308 0.011 -22.034 1.00 4.10 H new ATOM 908 N VAL A 60 0.845 4.518 -24.401 1.00 25.30 N ATOM 909 CA VAL A 60 -0.141 5.511 -24.791 1.00 32.42 C ATOM 910 C VAL A 60 0.551 6.634 -25.565 1.00 53.30 C ATOM 911 O VAL A 60 1.634 7.077 -25.187 1.00 41.52 O ATOM 912 CB VAL A 60 -0.896 6.011 -23.557 1.00 63.04 C ATOM 913 CG1 VAL A 60 -2.023 6.966 -23.954 1.00 50.14 C ATOM 914 CG2 VAL A 60 -1.434 4.841 -22.732 1.00 23.34 C ATOM 0 H VAL A 60 1.659 4.894 -23.914 1.00 25.30 H new ATOM 0 HA VAL A 60 -0.885 5.071 -25.454 1.00 32.42 H new ATOM 0 HB VAL A 60 -0.192 6.564 -22.935 1.00 63.04 H new ATOM 0 HG11 VAL A 60 -2.544 7.307 -23.059 1.00 50.14 H new ATOM 0 HG12 VAL A 60 -1.604 7.825 -24.479 1.00 50.14 H new ATOM 0 HG13 VAL A 60 -2.725 6.448 -24.607 1.00 50.14 H new ATOM 0 HG21 VAL A 60 -1.966 5.224 -21.861 1.00 23.34 H new ATOM 0 HG22 VAL A 60 -2.116 4.249 -23.342 1.00 23.34 H new ATOM 0 HG23 VAL A 60 -0.604 4.215 -22.404 1.00 23.34 H new ATOM 924 N LYS A 61 -0.104 7.063 -26.634 1.00 63.13 N ATOM 925 CA LYS A 61 0.435 8.126 -27.465 1.00 40.40 C ATOM 926 C LYS A 61 0.043 9.480 -26.870 1.00 43.50 C ATOM 927 O LYS A 61 -1.011 9.608 -26.249 1.00 24.13 O ATOM 928 CB LYS A 61 -0.003 7.944 -28.920 1.00 2.13 C ATOM 929 CG LYS A 61 0.531 6.629 -29.492 1.00 41.42 C ATOM 930 CD LYS A 61 0.448 6.623 -31.020 1.00 21.11 C ATOM 931 CE LYS A 61 -0.516 5.542 -31.512 1.00 34.00 C ATOM 932 NZ LYS A 61 -1.041 5.887 -32.852 1.00 73.11 N ATOM 0 H LYS A 61 -1.003 6.694 -26.944 1.00 63.13 H new ATOM 0 HA LYS A 61 1.524 8.085 -27.477 1.00 40.40 H new ATOM 0 HB2 LYS A 61 -1.091 7.956 -28.980 1.00 2.13 H new ATOM 0 HB3 LYS A 61 0.359 8.779 -29.520 1.00 2.13 H new ATOM 0 HG2 LYS A 61 1.565 6.486 -29.180 1.00 41.42 H new ATOM 0 HG3 LYS A 61 -0.042 5.794 -29.090 1.00 41.42 H new ATOM 0 HD2 LYS A 61 0.117 7.599 -31.374 1.00 21.11 H new ATOM 0 HD3 LYS A 61 1.439 6.451 -31.441 1.00 21.11 H new ATOM 0 HE2 LYS A 61 -0.004 4.581 -31.552 1.00 34.00 H new ATOM 0 HE3 LYS A 61 -1.341 5.435 -30.808 1.00 34.00 H new ATOM 0 HZ1 LYS A 61 -2.069 6.036 -32.794 1.00 73.11 H new ATOM 0 HZ2 LYS A 61 -0.584 6.757 -33.191 1.00 73.11 H new ATOM 0 HZ3 LYS A 61 -0.840 5.110 -33.514 1.00 73.11 H new ATOM 945 N GLY A 62 0.913 10.458 -27.081 1.00 72.52 N ATOM 946 CA GLY A 62 0.671 11.797 -26.574 1.00 11.45 C ATOM 947 C GLY A 62 0.440 11.777 -25.061 1.00 54.22 C ATOM 948 O GLY A 62 -0.087 12.735 -24.497 1.00 51.24 O ATOM 0 H GLY A 62 1.786 10.349 -27.596 1.00 72.52 H new ATOM 0 HA2 GLY A 62 1.522 12.437 -26.807 1.00 11.45 H new ATOM 0 HA3 GLY A 62 -0.198 12.227 -27.073 1.00 11.45 H new ATOM 952 N TYR A 63 0.845 10.675 -24.447 1.00 52.24 N ATOM 953 CA TYR A 63 0.688 10.518 -23.011 1.00 63.34 C ATOM 954 C TYR A 63 1.830 11.203 -22.257 1.00 74.21 C ATOM 955 O TYR A 63 2.786 11.677 -22.868 1.00 51.03 O ATOM 956 CB TYR A 63 0.747 9.012 -22.743 1.00 50.55 C ATOM 957 CG TYR A 63 0.979 8.650 -21.275 1.00 45.43 C ATOM 958 CD1 TYR A 63 2.264 8.596 -20.773 1.00 72.31 C ATOM 959 CD2 TYR A 63 -0.095 8.379 -20.453 1.00 32.50 C ATOM 960 CE1 TYR A 63 2.483 8.255 -19.391 1.00 74.02 C ATOM 961 CE2 TYR A 63 0.124 8.038 -19.071 1.00 73.21 C ATOM 962 CZ TYR A 63 1.402 7.993 -18.608 1.00 72.35 C ATOM 963 OH TYR A 63 1.608 7.671 -17.303 1.00 65.14 O ATOM 0 H TYR A 63 1.282 9.882 -24.918 1.00 52.24 H new ATOM 0 HA TYR A 63 -0.247 10.966 -22.675 1.00 63.34 H new ATOM 0 HB2 TYR A 63 -0.186 8.557 -23.076 1.00 50.55 H new ATOM 0 HB3 TYR A 63 1.545 8.577 -23.344 1.00 50.55 H new ATOM 0 HD1 TYR A 63 3.105 8.809 -21.416 1.00 72.31 H new ATOM 0 HD2 TYR A 63 -1.100 8.423 -20.846 1.00 32.50 H new ATOM 0 HE1 TYR A 63 3.483 8.208 -18.985 1.00 74.02 H new ATOM 0 HE2 TYR A 63 -0.708 7.823 -18.417 1.00 73.21 H new ATOM 0 HH TYR A 63 0.874 8.025 -16.759 1.00 65.14 H new ATOM 973 N ALA A 64 1.691 11.233 -20.940 1.00 25.13 N ATOM 974 CA ALA A 64 2.699 11.852 -20.096 1.00 1.05 C ATOM 975 C ALA A 64 2.191 11.899 -18.653 1.00 52.42 C ATOM 976 O ALA A 64 0.985 11.968 -18.418 1.00 5.21 O ATOM 977 CB ALA A 64 3.038 13.241 -20.640 1.00 42.01 C ATOM 0 H ALA A 64 0.896 10.839 -20.437 1.00 25.13 H new ATOM 0 HA ALA A 64 3.618 11.266 -20.103 1.00 1.05 H new ATOM 0 HB1 ALA A 64 3.794 13.705 -20.007 1.00 42.01 H new ATOM 0 HB2 ALA A 64 3.422 13.150 -21.656 1.00 42.01 H new ATOM 0 HB3 ALA A 64 2.140 13.859 -20.645 1.00 42.01 H new ATOM 983 N PRO A 65 3.160 11.860 -17.700 1.00 65.55 N ATOM 984 CA PRO A 65 2.824 11.897 -16.288 1.00 15.14 C ATOM 985 C PRO A 65 2.412 13.307 -15.859 1.00 42.33 C ATOM 986 O PRO A 65 2.640 14.272 -16.587 1.00 45.30 O ATOM 987 CB PRO A 65 4.069 11.399 -15.573 1.00 32.33 C ATOM 988 CG PRO A 65 5.207 11.542 -16.570 1.00 3.03 C ATOM 989 CD PRO A 65 4.598 11.778 -17.942 1.00 60.01 C ATOM 0 HA PRO A 65 1.965 11.272 -16.044 1.00 15.14 H new ATOM 0 HB2 PRO A 65 4.262 11.983 -14.673 1.00 32.33 H new ATOM 0 HB3 PRO A 65 3.951 10.361 -15.261 1.00 32.33 H new ATOM 0 HG2 PRO A 65 5.856 12.373 -16.292 1.00 3.03 H new ATOM 0 HG3 PRO A 65 5.824 10.644 -16.576 1.00 3.03 H new ATOM 0 HD2 PRO A 65 4.977 12.696 -18.391 1.00 60.01 H new ATOM 0 HD3 PRO A 65 4.839 10.965 -18.627 1.00 60.01 H new