USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 669 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 23 HIS : no HD1:sc= -0.333 K(o=0.29,f=-0.3) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.619 K(o=0.29,f=-0.48) USER MOD Set 2.1: A 22 ASN : amide:sc= 1.04 K(o=2.2,f=-4.8) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -171:sc= 1.15 (180deg=0) USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= 0.992 USER MOD Set 3.2: A 70 LYS NZ :NH3+ -141:sc= 1.73 (180deg=-0.655) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.455 X(o=0.45,f=-0.003) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.256 K(o=-0.26,f=-2) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot -150:sc= -0.14 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.19 X(o=-1.2,f=-0.85) USER MOD Single : A 58 MET CE :methyl -176:sc= -0.251 (180deg=-0.334) USER MOD Single : A 65 HIS : no HD1:sc= 0.215 K(o=0.21,f=-5.8!) USER MOD Single : A 67 THR OG1 : rot -81:sc= 0.815 USER MOD Single : A 72 LYS NZ :NH3+ -114:sc= 0.819 (180deg=-0.13) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= -0.0199 (180deg=-0.317) USER MOD Single : A 75 ASN : amide:sc= -0.903 K(o=-0.9,f=-1.8) USER MOD Single : A 79 THR OG1 : rot 160:sc= -0.0178 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.232 12.688 0.434 1.00 3.43 N ATOM 2 CA GLY A 1 -14.146 11.740 0.673 1.00 62.51 C ATOM 3 C GLY A 1 -14.677 10.394 1.123 1.00 44.54 C ATOM 4 O GLY A 1 -15.459 10.307 2.072 1.00 13.21 O ATOM 0 H1 GLY A 1 -14.836 13.599 0.127 1.00 3.43 H new ATOM 0 H2 GLY A 1 -15.860 12.317 -0.307 1.00 3.43 H new ATOM 0 H3 GLY A 1 -15.774 12.824 1.311 1.00 3.43 H new ATOM 0 HA2 GLY A 1 -13.562 11.616 -0.239 1.00 62.51 H new ATOM 0 HA3 GLY A 1 -13.473 12.139 1.431 1.00 62.51 H new ATOM 8 N ASN A 2 -14.296 9.336 0.409 1.00 3.01 N ATOM 9 CA ASN A 2 -14.669 7.949 0.674 1.00 33.22 C ATOM 10 C ASN A 2 -13.558 7.041 0.160 1.00 43.53 C ATOM 11 O ASN A 2 -13.813 6.083 -0.561 1.00 73.22 O ATOM 12 CB ASN A 2 -16.059 7.565 0.117 1.00 24.14 C ATOM 13 CG ASN A 2 -16.293 7.990 -1.322 1.00 34.42 C ATOM 14 OD1 ASN A 2 -17.030 8.939 -1.567 1.00 1.14 O ATOM 15 ND2 ASN A 2 -15.668 7.377 -2.303 1.00 2.33 N ATOM 0 H ASN A 2 -13.691 9.428 -0.407 1.00 3.01 H new ATOM 0 HA ASN A 2 -14.773 7.820 1.751 1.00 33.22 H new ATOM 0 HB2 ASN A 2 -16.181 6.484 0.189 1.00 24.14 H new ATOM 0 HB3 ASN A 2 -16.827 8.015 0.746 1.00 24.14 H new ATOM 0 HD21 ASN A 2 -15.797 7.691 -3.265 1.00 2.33 H new ATOM 0 HD22 ASN A 2 -15.054 6.587 -2.102 1.00 2.33 H new ATOM 22 N ARG A 3 -12.302 7.382 0.448 1.00 34.42 N ATOM 23 CA ARG A 3 -11.149 6.586 0.050 1.00 54.51 C ATOM 24 C ARG A 3 -10.221 6.479 1.244 1.00 63.12 C ATOM 25 O ARG A 3 -10.010 7.472 1.940 1.00 11.44 O ATOM 26 CB ARG A 3 -10.445 7.082 -1.221 1.00 12.20 C ATOM 27 CG ARG A 3 -9.960 8.537 -1.212 1.00 24.25 C ATOM 28 CD ARG A 3 -8.697 8.670 -2.070 1.00 14.22 C ATOM 29 NE ARG A 3 -8.479 10.035 -2.588 1.00 50.32 N ATOM 30 CZ ARG A 3 -9.099 10.566 -3.653 1.00 15.33 C ATOM 31 NH1 ARG A 3 -10.069 9.901 -4.268 1.00 32.54 N ATOM 32 NH2 ARG A 3 -8.788 11.786 -4.073 1.00 52.40 N ATOM 0 H ARG A 3 -12.058 8.225 0.968 1.00 34.42 H new ATOM 0 HA ARG A 3 -11.496 5.594 -0.239 1.00 54.51 H new ATOM 0 HB2 ARG A 3 -9.586 6.437 -1.409 1.00 12.20 H new ATOM 0 HB3 ARG A 3 -11.128 6.955 -2.061 1.00 12.20 H new ATOM 0 HG2 ARG A 3 -10.742 9.193 -1.596 1.00 24.25 H new ATOM 0 HG3 ARG A 3 -9.751 8.854 -0.190 1.00 24.25 H new ATOM 0 HD2 ARG A 3 -7.832 8.372 -1.478 1.00 14.22 H new ATOM 0 HD3 ARG A 3 -8.763 7.977 -2.909 1.00 14.22 H new ATOM 0 HE ARG A 3 -7.803 10.621 -2.097 1.00 50.32 H new ATOM 0 HH11 ARG A 3 -10.348 8.979 -3.932 1.00 32.54 H new ATOM 0 HH12 ARG A 3 -10.535 10.312 -5.077 1.00 32.54 H new ATOM 0 HH21 ARG A 3 -8.073 12.326 -3.585 1.00 52.40 H new ATOM 0 HH22 ARG A 3 -9.264 12.183 -4.883 1.00 52.40 H new ATOM 46 N PHE A 4 -9.780 5.264 1.533 1.00 1.43 N ATOM 47 CA PHE A 4 -8.871 4.971 2.629 1.00 25.22 C ATOM 48 C PHE A 4 -7.474 4.959 2.045 1.00 3.45 C ATOM 49 O PHE A 4 -7.322 4.870 0.824 1.00 2.42 O ATOM 50 CB PHE A 4 -9.232 3.621 3.270 1.00 51.44 C ATOM 51 CG PHE A 4 -10.556 3.636 4.011 1.00 54.22 C ATOM 52 CD1 PHE A 4 -11.774 3.635 3.304 1.00 42.23 C ATOM 53 CD2 PHE A 4 -10.573 3.686 5.415 1.00 41.22 C ATOM 54 CE1 PHE A 4 -12.994 3.745 3.994 1.00 43.52 C ATOM 55 CE2 PHE A 4 -11.790 3.789 6.106 1.00 24.23 C ATOM 56 CZ PHE A 4 -13.001 3.827 5.397 1.00 14.04 C ATOM 0 H PHE A 4 -10.050 4.437 1.000 1.00 1.43 H new ATOM 0 HA PHE A 4 -8.939 5.719 3.419 1.00 25.22 H new ATOM 0 HB2 PHE A 4 -9.268 2.857 2.493 1.00 51.44 H new ATOM 0 HB3 PHE A 4 -8.441 3.334 3.962 1.00 51.44 H new ATOM 0 HD1 PHE A 4 -11.771 3.549 2.227 1.00 42.23 H new ATOM 0 HD2 PHE A 4 -9.645 3.645 5.965 1.00 41.22 H new ATOM 0 HE1 PHE A 4 -13.925 3.766 3.447 1.00 43.52 H new ATOM 0 HE2 PHE A 4 -11.795 3.839 7.185 1.00 24.23 H new ATOM 0 HZ PHE A 4 -13.936 3.919 5.929 1.00 14.04 H new ATOM 66 N ILE A 5 -6.461 5.060 2.898 1.00 65.32 N ATOM 67 CA ILE A 5 -5.071 5.090 2.474 1.00 25.51 C ATOM 68 C ILE A 5 -4.247 4.154 3.348 1.00 35.14 C ATOM 69 O ILE A 5 -4.550 3.935 4.521 1.00 3.02 O ATOM 70 CB ILE A 5 -4.552 6.551 2.471 1.00 32.42 C ATOM 71 CG1 ILE A 5 -5.246 7.376 1.366 1.00 22.52 C ATOM 72 CG2 ILE A 5 -3.032 6.653 2.211 1.00 1.42 C ATOM 73 CD1 ILE A 5 -5.384 8.862 1.677 1.00 4.31 C ATOM 0 H ILE A 5 -6.584 5.124 3.909 1.00 65.32 H new ATOM 0 HA ILE A 5 -4.976 4.726 1.451 1.00 25.51 H new ATOM 0 HB ILE A 5 -4.777 6.936 3.466 1.00 32.42 H new ATOM 0 HG12 ILE A 5 -4.684 7.263 0.439 1.00 22.52 H new ATOM 0 HG13 ILE A 5 -6.238 6.961 1.190 1.00 22.52 H new ATOM 0 HG21 ILE A 5 -2.731 7.700 2.221 1.00 1.42 H new ATOM 0 HG22 ILE A 5 -2.493 6.113 2.989 1.00 1.42 H new ATOM 0 HG23 ILE A 5 -2.799 6.218 1.239 1.00 1.42 H new ATOM 0 HD11 ILE A 5 -5.882 9.363 0.847 1.00 4.31 H new ATOM 0 HD12 ILE A 5 -5.973 8.991 2.585 1.00 4.31 H new ATOM 0 HD13 ILE A 5 -4.395 9.297 1.822 1.00 4.31 H new ATOM 85 N VAL A 6 -3.205 3.591 2.750 1.00 52.43 N ATOM 86 CA VAL A 6 -2.271 2.689 3.381 1.00 3.32 C ATOM 87 C VAL A 6 -0.899 3.344 3.246 1.00 41.13 C ATOM 88 O VAL A 6 -0.453 3.647 2.134 1.00 45.13 O ATOM 89 CB VAL A 6 -2.345 1.289 2.744 1.00 25.20 C ATOM 90 CG1 VAL A 6 -1.392 0.320 3.449 1.00 53.22 C ATOM 91 CG2 VAL A 6 -3.759 0.694 2.839 1.00 11.05 C ATOM 0 H VAL A 6 -2.985 3.763 1.769 1.00 52.43 H new ATOM 0 HA VAL A 6 -2.500 2.527 4.434 1.00 3.32 H new ATOM 0 HB VAL A 6 -2.066 1.413 1.698 1.00 25.20 H new ATOM 0 HG11 VAL A 6 -1.461 -0.663 2.982 1.00 53.22 H new ATOM 0 HG12 VAL A 6 -0.370 0.690 3.366 1.00 53.22 H new ATOM 0 HG13 VAL A 6 -1.665 0.242 4.501 1.00 53.22 H new ATOM 0 HG21 VAL A 6 -3.770 -0.294 2.379 1.00 11.05 H new ATOM 0 HG22 VAL A 6 -4.048 0.609 3.886 1.00 11.05 H new ATOM 0 HG23 VAL A 6 -4.463 1.344 2.319 1.00 11.05 H new ATOM 101 N PHE A 7 -0.313 3.710 4.382 1.00 30.42 N ATOM 102 CA PHE A 7 1.007 4.300 4.462 1.00 24.03 C ATOM 103 C PHE A 7 1.957 3.111 4.472 1.00 45.02 C ATOM 104 O PHE A 7 1.698 2.127 5.171 1.00 75.32 O ATOM 105 CB PHE A 7 1.197 5.064 5.780 1.00 50.30 C ATOM 106 CG PHE A 7 2.618 5.568 5.977 1.00 31.05 C ATOM 107 CD1 PHE A 7 3.106 6.644 5.211 1.00 65.01 C ATOM 108 CD2 PHE A 7 3.484 4.916 6.878 1.00 55.10 C ATOM 109 CE1 PHE A 7 4.436 7.068 5.360 1.00 14.50 C ATOM 110 CE2 PHE A 7 4.813 5.335 7.024 1.00 13.24 C ATOM 111 CZ PHE A 7 5.284 6.410 6.262 1.00 61.00 C ATOM 0 H PHE A 7 -0.760 3.599 5.292 1.00 30.42 H new ATOM 0 HA PHE A 7 1.173 4.999 3.642 1.00 24.03 H new ATOM 0 HB2 PHE A 7 0.511 5.911 5.805 1.00 50.30 H new ATOM 0 HB3 PHE A 7 0.930 4.413 6.612 1.00 50.30 H new ATOM 0 HD1 PHE A 7 2.456 7.144 4.508 1.00 65.01 H new ATOM 0 HD2 PHE A 7 3.119 4.084 7.462 1.00 55.10 H new ATOM 0 HE1 PHE A 7 4.806 7.901 4.780 1.00 14.50 H new ATOM 0 HE2 PHE A 7 5.469 4.832 7.719 1.00 13.24 H new ATOM 0 HZ PHE A 7 6.308 6.735 6.369 1.00 61.00 H new ATOM 121 N VAL A 8 3.067 3.213 3.754 1.00 52.31 N ATOM 122 CA VAL A 8 4.064 2.163 3.681 1.00 34.31 C ATOM 123 C VAL A 8 5.401 2.846 3.922 1.00 1.15 C ATOM 124 O VAL A 8 5.618 3.927 3.376 1.00 13.21 O ATOM 125 CB VAL A 8 4.021 1.464 2.304 1.00 21.32 C ATOM 126 CG1 VAL A 8 4.664 0.075 2.354 1.00 3.42 C ATOM 127 CG2 VAL A 8 2.607 1.292 1.729 1.00 2.54 C ATOM 0 H VAL A 8 3.300 4.038 3.201 1.00 52.31 H new ATOM 0 HA VAL A 8 3.887 1.382 4.420 1.00 34.31 H new ATOM 0 HB VAL A 8 4.581 2.135 1.653 1.00 21.32 H new ATOM 0 HG11 VAL A 8 4.614 -0.385 1.367 1.00 3.42 H new ATOM 0 HG12 VAL A 8 5.706 0.167 2.659 1.00 3.42 H new ATOM 0 HG13 VAL A 8 4.130 -0.548 3.071 1.00 3.42 H new ATOM 0 HG21 VAL A 8 2.666 0.793 0.762 1.00 2.54 H new ATOM 0 HG22 VAL A 8 2.007 0.690 2.412 1.00 2.54 H new ATOM 0 HG23 VAL A 8 2.143 2.271 1.605 1.00 2.54 H new ATOM 137 N GLY A 9 6.298 2.277 4.727 1.00 21.30 N ATOM 138 CA GLY A 9 7.602 2.892 4.963 1.00 41.01 C ATOM 139 C GLY A 9 8.689 1.828 5.047 1.00 4.53 C ATOM 140 O GLY A 9 8.411 0.636 4.904 1.00 54.13 O ATOM 0 H GLY A 9 6.147 1.398 5.223 1.00 21.30 H new ATOM 0 HA2 GLY A 9 7.831 3.591 4.159 1.00 41.01 H new ATOM 0 HA3 GLY A 9 7.577 3.468 5.888 1.00 41.01 H new ATOM 144 N SER A 10 9.930 2.254 5.294 1.00 33.33 N ATOM 145 CA SER A 10 11.120 1.418 5.407 1.00 33.32 C ATOM 146 C SER A 10 11.513 0.763 4.070 1.00 22.22 C ATOM 147 O SER A 10 12.357 -0.139 4.053 1.00 32.14 O ATOM 148 CB SER A 10 10.916 0.393 6.534 1.00 4.02 C ATOM 149 OG SER A 10 11.590 0.772 7.719 1.00 31.21 O ATOM 0 H SER A 10 10.139 3.243 5.427 1.00 33.33 H new ATOM 0 HA SER A 10 11.967 2.053 5.667 1.00 33.32 H new ATOM 0 HB2 SER A 10 9.851 0.287 6.740 1.00 4.02 H new ATOM 0 HB3 SER A 10 11.276 -0.583 6.207 1.00 4.02 H new ATOM 0 HG SER A 10 11.436 0.097 8.413 1.00 31.21 H new ATOM 155 N LEU A 11 10.933 1.216 2.955 1.00 43.24 N ATOM 156 CA LEU A 11 11.168 0.703 1.604 1.00 73.41 C ATOM 157 C LEU A 11 12.653 0.712 1.220 1.00 61.14 C ATOM 158 O LEU A 11 13.386 1.602 1.665 1.00 30.15 O ATOM 159 CB LEU A 11 10.363 1.515 0.573 1.00 12.53 C ATOM 160 CG LEU A 11 8.887 1.099 0.447 1.00 21.35 C ATOM 161 CD1 LEU A 11 8.093 1.183 1.750 1.00 12.04 C ATOM 162 CD2 LEU A 11 8.191 2.028 -0.539 1.00 12.34 C ATOM 0 H LEU A 11 10.259 1.982 2.971 1.00 43.24 H new ATOM 0 HA LEU A 11 10.834 -0.334 1.601 1.00 73.41 H new ATOM 0 HB2 LEU A 11 10.408 2.570 0.844 1.00 12.53 H new ATOM 0 HB3 LEU A 11 10.840 1.416 -0.402 1.00 12.53 H new ATOM 0 HG LEU A 11 8.906 0.057 0.127 1.00 21.35 H new ATOM 0 HD11 LEU A 11 7.064 0.872 1.570 1.00 12.04 H new ATOM 0 HD12 LEU A 11 8.545 0.527 2.494 1.00 12.04 H new ATOM 0 HD13 LEU A 11 8.103 2.209 2.117 1.00 12.04 H new ATOM 0 HD21 LEU A 11 7.144 1.740 -0.634 1.00 12.34 H new ATOM 0 HD22 LEU A 11 8.253 3.055 -0.178 1.00 12.34 H new ATOM 0 HD23 LEU A 11 8.677 1.956 -1.512 1.00 12.34 H new ATOM 174 N PRO A 12 13.098 -0.245 0.380 1.00 51.54 N ATOM 175 CA PRO A 12 14.482 -0.324 -0.067 1.00 75.02 C ATOM 176 C PRO A 12 14.841 0.902 -0.904 1.00 63.31 C ATOM 177 O PRO A 12 14.001 1.432 -1.631 1.00 20.22 O ATOM 178 CB PRO A 12 14.592 -1.605 -0.908 1.00 72.13 C ATOM 179 CG PRO A 12 13.155 -1.939 -1.304 1.00 43.52 C ATOM 180 CD PRO A 12 12.309 -1.329 -0.190 1.00 22.43 C ATOM 0 HA PRO A 12 15.171 -0.349 0.777 1.00 75.02 H new ATOM 0 HB2 PRO A 12 15.218 -1.448 -1.787 1.00 72.13 H new ATOM 0 HB3 PRO A 12 15.043 -2.416 -0.336 1.00 72.13 H new ATOM 0 HG2 PRO A 12 12.901 -1.515 -2.275 1.00 43.52 H new ATOM 0 HG3 PRO A 12 13.002 -3.016 -1.377 1.00 43.52 H new ATOM 0 HD2 PRO A 12 11.362 -0.956 -0.581 1.00 22.43 H new ATOM 0 HD3 PRO A 12 12.069 -2.075 0.568 1.00 22.43 H new ATOM 188 N ARG A 13 16.117 1.290 -0.877 1.00 0.43 N ATOM 189 CA ARG A 13 16.642 2.432 -1.620 1.00 2.41 C ATOM 190 C ARG A 13 16.290 2.320 -3.104 1.00 3.13 C ATOM 191 O ARG A 13 15.815 3.284 -3.702 1.00 71.21 O ATOM 192 CB ARG A 13 18.173 2.495 -1.429 1.00 10.23 C ATOM 193 CG ARG A 13 18.780 3.824 -1.905 1.00 2.43 C ATOM 194 CD ARG A 13 18.879 4.848 -0.767 1.00 41.23 C ATOM 195 NE ARG A 13 20.143 4.720 -0.017 1.00 11.12 N ATOM 196 CZ ARG A 13 20.653 5.642 0.807 1.00 11.14 C ATOM 197 NH1 ARG A 13 19.941 6.702 1.164 1.00 44.14 N ATOM 198 NH2 ARG A 13 21.888 5.500 1.264 1.00 10.30 N ATOM 0 H ARG A 13 16.827 0.808 -0.326 1.00 0.43 H new ATOM 0 HA ARG A 13 16.190 3.348 -1.240 1.00 2.41 H new ATOM 0 HB2 ARG A 13 18.409 2.350 -0.375 1.00 10.23 H new ATOM 0 HB3 ARG A 13 18.636 1.673 -1.975 1.00 10.23 H new ATOM 0 HG2 ARG A 13 19.773 3.643 -2.317 1.00 2.43 H new ATOM 0 HG3 ARG A 13 18.170 4.234 -2.710 1.00 2.43 H new ATOM 0 HD2 ARG A 13 18.801 5.855 -1.177 1.00 41.23 H new ATOM 0 HD3 ARG A 13 18.038 4.716 -0.086 1.00 41.23 H new ATOM 0 HE ARG A 13 20.672 3.856 -0.137 1.00 11.12 H new ATOM 0 HH11 ARG A 13 18.992 6.822 0.810 1.00 44.14 H new ATOM 0 HH12 ARG A 13 20.342 7.398 1.793 1.00 44.14 H new ATOM 0 HH21 ARG A 13 22.444 4.691 0.987 1.00 10.30 H new ATOM 0 HH22 ARG A 13 22.283 6.200 1.893 1.00 10.30 H new ATOM 212 N ASP A 14 16.487 1.132 -3.678 1.00 44.32 N ATOM 213 CA ASP A 14 16.231 0.861 -5.088 1.00 34.21 C ATOM 214 C ASP A 14 14.817 0.376 -5.413 1.00 71.32 C ATOM 215 O ASP A 14 14.622 -0.236 -6.458 1.00 52.43 O ATOM 216 CB ASP A 14 17.303 -0.052 -5.668 1.00 74.20 C ATOM 217 CG ASP A 14 17.572 0.325 -7.125 1.00 35.43 C ATOM 218 OD1 ASP A 14 18.128 1.430 -7.326 1.00 41.21 O ATOM 219 OD2 ASP A 14 17.235 -0.434 -8.062 1.00 72.30 O ATOM 0 H ASP A 14 16.834 0.321 -3.166 1.00 44.32 H new ATOM 0 HA ASP A 14 16.290 1.830 -5.583 1.00 34.21 H new ATOM 0 HB2 ASP A 14 18.220 0.033 -5.085 1.00 74.20 H new ATOM 0 HB3 ASP A 14 16.981 -1.091 -5.605 1.00 74.20 H new ATOM 224 N ILE A 15 13.826 0.575 -4.537 1.00 54.11 N ATOM 225 CA ILE A 15 12.435 0.158 -4.755 1.00 74.01 C ATOM 226 C ILE A 15 11.941 0.511 -6.179 1.00 24.04 C ATOM 227 O ILE A 15 12.214 1.600 -6.682 1.00 63.22 O ATOM 228 CB ILE A 15 11.544 0.740 -3.640 1.00 4.05 C ATOM 229 CG1 ILE A 15 10.084 0.280 -3.806 1.00 0.00 C ATOM 230 CG2 ILE A 15 11.633 2.270 -3.571 1.00 30.23 C ATOM 231 CD1 ILE A 15 9.826 -1.182 -3.455 1.00 62.54 C ATOM 0 H ILE A 15 13.970 1.039 -3.640 1.00 54.11 H new ATOM 0 HA ILE A 15 12.374 -0.929 -4.696 1.00 74.01 H new ATOM 0 HB ILE A 15 11.920 0.353 -2.693 1.00 4.05 H new ATOM 0 HG12 ILE A 15 9.448 0.906 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.781 0.449 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.989 2.636 -2.771 1.00 30.23 H new ATOM 0 HG22 ILE A 15 12.663 2.566 -3.372 1.00 30.23 H new ATOM 0 HG23 ILE A 15 11.310 2.696 -4.521 1.00 30.23 H new ATOM 0 HD11 ILE A 15 8.771 -1.411 -3.603 1.00 62.54 H new ATOM 0 HD12 ILE A 15 10.430 -1.823 -4.097 1.00 62.54 H new ATOM 0 HD13 ILE A 15 10.092 -1.358 -2.413 1.00 62.54 H new ATOM 243 N THR A 16 11.223 -0.417 -6.824 1.00 63.11 N ATOM 244 CA THR A 16 10.685 -0.279 -8.170 1.00 41.12 C ATOM 245 C THR A 16 9.156 -0.305 -8.107 1.00 43.54 C ATOM 246 O THR A 16 8.584 -0.956 -7.230 1.00 13.12 O ATOM 247 CB THR A 16 11.263 -1.411 -9.046 1.00 12.21 C ATOM 248 OG1 THR A 16 11.246 -2.658 -8.368 1.00 75.21 O ATOM 249 CG2 THR A 16 12.719 -1.148 -9.445 1.00 14.10 C ATOM 0 H THR A 16 10.996 -1.317 -6.400 1.00 63.11 H new ATOM 0 HA THR A 16 10.972 0.672 -8.618 1.00 41.12 H new ATOM 0 HB THR A 16 10.627 -1.441 -9.931 1.00 12.21 H new ATOM 0 HG1 THR A 16 11.617 -3.353 -8.951 1.00 75.21 H new ATOM 0 HG21 THR A 16 13.082 -1.971 -10.060 1.00 14.10 H new ATOM 0 HG22 THR A 16 12.779 -0.218 -10.011 1.00 14.10 H new ATOM 0 HG23 THR A 16 13.333 -1.067 -8.548 1.00 14.10 H new ATOM 257 N ALA A 17 8.493 0.376 -9.047 1.00 53.11 N ATOM 258 CA ALA A 17 7.034 0.423 -9.100 1.00 5.24 C ATOM 259 C ALA A 17 6.460 -0.967 -9.355 1.00 31.20 C ATOM 260 O ALA A 17 5.364 -1.257 -8.883 1.00 61.42 O ATOM 261 CB ALA A 17 6.585 1.379 -10.207 1.00 53.32 C ATOM 0 H ALA A 17 8.952 0.906 -9.787 1.00 53.11 H new ATOM 0 HA ALA A 17 6.664 0.781 -8.139 1.00 5.24 H new ATOM 0 HB1 ALA A 17 5.496 1.410 -10.242 1.00 53.32 H new ATOM 0 HB2 ALA A 17 6.970 2.378 -10.003 1.00 53.32 H new ATOM 0 HB3 ALA A 17 6.969 1.031 -11.166 1.00 53.32 H new ATOM 267 N VAL A 18 7.190 -1.838 -10.059 1.00 1.51 N ATOM 268 CA VAL A 18 6.712 -3.185 -10.333 1.00 64.41 C ATOM 269 C VAL A 18 6.601 -3.967 -9.021 1.00 73.14 C ATOM 270 O VAL A 18 5.653 -4.727 -8.858 1.00 14.14 O ATOM 271 CB VAL A 18 7.572 -3.875 -11.412 1.00 73.55 C ATOM 272 CG1 VAL A 18 9.062 -3.972 -11.057 1.00 34.45 C ATOM 273 CG2 VAL A 18 7.021 -5.265 -11.749 1.00 53.10 C ATOM 0 H VAL A 18 8.111 -1.630 -10.446 1.00 1.51 H new ATOM 0 HA VAL A 18 5.709 -3.145 -10.759 1.00 64.41 H new ATOM 0 HB VAL A 18 7.506 -3.230 -12.288 1.00 73.55 H new ATOM 0 HG11 VAL A 18 9.597 -4.469 -11.866 1.00 34.45 H new ATOM 0 HG12 VAL A 18 9.468 -2.971 -10.915 1.00 34.45 H new ATOM 0 HG13 VAL A 18 9.180 -4.545 -10.137 1.00 34.45 H new ATOM 0 HG21 VAL A 18 7.646 -5.729 -12.512 1.00 53.10 H new ATOM 0 HG22 VAL A 18 7.023 -5.885 -10.852 1.00 53.10 H new ATOM 0 HG23 VAL A 18 6.001 -5.171 -12.123 1.00 53.10 H new ATOM 283 N GLU A 19 7.535 -3.792 -8.078 1.00 31.32 N ATOM 284 CA GLU A 19 7.481 -4.499 -6.799 1.00 34.43 C ATOM 285 C GLU A 19 6.282 -3.995 -5.999 1.00 63.11 C ATOM 286 O GLU A 19 5.625 -4.774 -5.307 1.00 73.20 O ATOM 287 CB GLU A 19 8.778 -4.246 -6.011 1.00 64.35 C ATOM 288 CG GLU A 19 9.973 -5.088 -6.469 1.00 34.34 C ATOM 289 CD GLU A 19 9.863 -6.562 -6.067 1.00 53.24 C ATOM 290 OE1 GLU A 19 8.995 -7.264 -6.628 1.00 54.03 O ATOM 291 OE2 GLU A 19 10.634 -7.042 -5.211 1.00 13.25 O ATOM 0 H GLU A 19 8.335 -3.167 -8.179 1.00 31.32 H new ATOM 0 HA GLU A 19 7.377 -5.570 -6.976 1.00 34.43 H new ATOM 0 HB2 GLU A 19 9.039 -3.191 -6.095 1.00 64.35 H new ATOM 0 HB3 GLU A 19 8.592 -4.446 -4.956 1.00 64.35 H new ATOM 0 HG2 GLU A 19 10.063 -5.020 -7.553 1.00 34.34 H new ATOM 0 HG3 GLU A 19 10.887 -4.670 -6.046 1.00 34.34 H new ATOM 298 N LEU A 20 6.002 -2.692 -6.067 1.00 50.22 N ATOM 299 CA LEU A 20 4.880 -2.082 -5.368 1.00 31.14 C ATOM 300 C LEU A 20 3.582 -2.637 -5.931 1.00 42.41 C ATOM 301 O LEU A 20 2.748 -3.153 -5.182 1.00 1.23 O ATOM 302 CB LEU A 20 4.931 -0.552 -5.495 1.00 61.35 C ATOM 303 CG LEU A 20 6.017 0.115 -4.640 1.00 21.22 C ATOM 304 CD1 LEU A 20 5.860 1.623 -4.768 1.00 70.24 C ATOM 305 CD2 LEU A 20 5.948 -0.229 -3.150 1.00 11.22 C ATOM 0 H LEU A 20 6.554 -2.030 -6.613 1.00 50.22 H new ATOM 0 HA LEU A 20 4.937 -2.323 -4.307 1.00 31.14 H new ATOM 0 HB2 LEU A 20 5.096 -0.291 -6.540 1.00 61.35 H new ATOM 0 HB3 LEU A 20 3.961 -0.143 -5.214 1.00 61.35 H new ATOM 0 HG LEU A 20 6.973 -0.255 -5.011 1.00 21.22 H new ATOM 0 HD11 LEU A 20 6.622 2.120 -4.168 1.00 70.24 H new ATOM 0 HD12 LEU A 20 5.974 1.913 -5.812 1.00 70.24 H new ATOM 0 HD13 LEU A 20 4.871 1.917 -4.415 1.00 70.24 H new ATOM 0 HD21 LEU A 20 6.751 0.284 -2.621 1.00 11.22 H new ATOM 0 HD22 LEU A 20 4.986 0.089 -2.747 1.00 11.22 H new ATOM 0 HD23 LEU A 20 6.058 -1.306 -3.020 1.00 11.22 H new ATOM 317 N GLN A 21 3.412 -2.536 -7.248 1.00 12.34 N ATOM 318 CA GLN A 21 2.241 -3.015 -7.956 1.00 32.44 C ATOM 319 C GLN A 21 2.030 -4.483 -7.631 1.00 34.04 C ATOM 320 O GLN A 21 0.931 -4.871 -7.269 1.00 1.02 O ATOM 321 CB GLN A 21 2.451 -2.840 -9.466 1.00 43.21 C ATOM 322 CG GLN A 21 2.272 -1.390 -9.932 1.00 74.11 C ATOM 323 CD GLN A 21 0.808 -1.033 -10.184 1.00 72.50 C ATOM 324 OE1 GLN A 21 -0.114 -1.576 -9.583 1.00 42.53 O ATOM 325 NE2 GLN A 21 0.560 -0.113 -11.100 1.00 33.03 N ATOM 0 H GLN A 21 4.105 -2.107 -7.861 1.00 12.34 H new ATOM 0 HA GLN A 21 1.363 -2.446 -7.649 1.00 32.44 H new ATOM 0 HB2 GLN A 21 3.453 -3.179 -9.730 1.00 43.21 H new ATOM 0 HB3 GLN A 21 1.747 -3.477 -10.001 1.00 43.21 H new ATOM 0 HG2 GLN A 21 2.682 -0.717 -9.180 1.00 74.11 H new ATOM 0 HG3 GLN A 21 2.844 -1.232 -10.847 1.00 74.11 H new ATOM 0 HE21 GLN A 21 1.331 0.334 -11.596 1.00 33.03 H new ATOM 0 HE22 GLN A 21 -0.403 0.150 -11.311 1.00 33.03 H new ATOM 334 N ASN A 22 3.093 -5.282 -7.687 1.00 30.50 N ATOM 335 CA ASN A 22 3.044 -6.709 -7.429 1.00 44.13 C ATOM 336 C ASN A 22 2.617 -7.079 -6.009 1.00 20.43 C ATOM 337 O ASN A 22 1.853 -8.028 -5.831 1.00 75.33 O ATOM 338 CB ASN A 22 4.406 -7.310 -7.743 1.00 1.41 C ATOM 339 CG ASN A 22 4.352 -8.815 -7.654 1.00 63.34 C ATOM 340 OD1 ASN A 22 3.617 -9.469 -8.393 1.00 14.15 O ATOM 341 ND2 ASN A 22 5.157 -9.377 -6.783 1.00 0.14 N ATOM 0 H ASN A 22 4.027 -4.944 -7.918 1.00 30.50 H new ATOM 0 HA ASN A 22 2.271 -7.121 -8.078 1.00 44.13 H new ATOM 0 HB2 ASN A 22 4.721 -7.010 -8.742 1.00 1.41 H new ATOM 0 HB3 ASN A 22 5.150 -6.925 -7.045 1.00 1.41 H new ATOM 0 HD21 ASN A 22 5.189 -10.393 -6.700 1.00 0.14 H new ATOM 0 HD22 ASN A 22 5.750 -8.798 -6.189 1.00 0.14 H new ATOM 348 N HIS A 23 3.089 -6.373 -4.980 1.00 32.43 N ATOM 349 CA HIS A 23 2.698 -6.688 -3.604 1.00 64.34 C ATOM 350 C HIS A 23 1.227 -6.363 -3.380 1.00 25.32 C ATOM 351 O HIS A 23 0.483 -7.179 -2.829 1.00 11.23 O ATOM 352 CB HIS A 23 3.568 -5.932 -2.590 1.00 2.42 C ATOM 353 CG HIS A 23 4.608 -6.810 -1.963 1.00 3.10 C ATOM 354 ND1 HIS A 23 5.747 -7.269 -2.613 1.00 51.55 N ATOM 355 CD2 HIS A 23 4.561 -7.347 -0.712 1.00 52.34 C ATOM 356 CE1 HIS A 23 6.374 -8.064 -1.735 1.00 63.21 C ATOM 357 NE2 HIS A 23 5.678 -8.141 -0.588 1.00 32.41 N ATOM 0 H HIS A 23 3.735 -5.589 -5.070 1.00 32.43 H new ATOM 0 HA HIS A 23 2.851 -7.756 -3.451 1.00 64.34 H new ATOM 0 HB2 HIS A 23 4.056 -5.094 -3.088 1.00 2.42 H new ATOM 0 HB3 HIS A 23 2.932 -5.513 -1.810 1.00 2.42 H new ATOM 0 HD2 HIS A 23 3.798 -7.182 0.035 1.00 52.34 H new ATOM 0 HE1 HIS A 23 7.308 -8.572 -1.923 1.00 63.21 H new ATOM 0 HE2 HIS A 23 5.933 -8.692 0.232 1.00 32.41 H new ATOM 365 N PHE A 24 0.798 -5.181 -3.823 1.00 71.25 N ATOM 366 CA PHE A 24 -0.576 -4.724 -3.662 1.00 2.44 C ATOM 367 C PHE A 24 -1.525 -5.191 -4.774 1.00 2.12 C ATOM 368 O PHE A 24 -2.719 -4.912 -4.712 1.00 14.55 O ATOM 369 CB PHE A 24 -0.592 -3.214 -3.409 1.00 42.41 C ATOM 370 CG PHE A 24 0.151 -2.813 -2.140 1.00 25.44 C ATOM 371 CD1 PHE A 24 -0.444 -2.999 -0.876 1.00 52.31 C ATOM 372 CD2 PHE A 24 1.440 -2.254 -2.211 1.00 23.22 C ATOM 373 CE1 PHE A 24 0.231 -2.612 0.297 1.00 30.51 C ATOM 374 CE2 PHE A 24 2.105 -1.838 -1.044 1.00 55.45 C ATOM 375 CZ PHE A 24 1.500 -2.016 0.212 1.00 62.10 C ATOM 0 H PHE A 24 1.399 -4.513 -4.305 1.00 71.25 H new ATOM 0 HA PHE A 24 -0.990 -5.210 -2.779 1.00 2.44 H new ATOM 0 HB2 PHE A 24 -0.144 -2.704 -4.262 1.00 42.41 H new ATOM 0 HB3 PHE A 24 -1.625 -2.874 -3.341 1.00 42.41 H new ATOM 0 HD1 PHE A 24 -1.426 -3.442 -0.807 1.00 52.31 H new ATOM 0 HD2 PHE A 24 1.923 -2.143 -3.171 1.00 23.22 H new ATOM 0 HE1 PHE A 24 -0.227 -2.773 1.262 1.00 30.51 H new ATOM 0 HE2 PHE A 24 3.081 -1.381 -1.113 1.00 55.45 H new ATOM 0 HZ PHE A 24 2.009 -1.696 1.109 1.00 62.10 H new ATOM 385 N LYS A 25 -1.065 -6.000 -5.735 1.00 21.04 N ATOM 386 CA LYS A 25 -1.873 -6.519 -6.840 1.00 24.23 C ATOM 387 C LYS A 25 -3.129 -7.206 -6.313 1.00 45.23 C ATOM 388 O LYS A 25 -4.224 -7.033 -6.843 1.00 3.40 O ATOM 389 CB LYS A 25 -0.996 -7.431 -7.731 1.00 71.50 C ATOM 390 CG LYS A 25 -1.024 -8.951 -7.478 1.00 63.31 C ATOM 391 CD LYS A 25 0.125 -9.725 -8.147 1.00 64.03 C ATOM 392 CE LYS A 25 0.295 -9.473 -9.650 1.00 55.14 C ATOM 393 NZ LYS A 25 1.525 -10.106 -10.172 1.00 41.21 N ATOM 0 H LYS A 25 -0.097 -6.319 -5.765 1.00 21.04 H new ATOM 0 HA LYS A 25 -2.226 -5.700 -7.467 1.00 24.23 H new ATOM 0 HB2 LYS A 25 -1.288 -7.262 -8.767 1.00 71.50 H new ATOM 0 HB3 LYS A 25 0.037 -7.097 -7.632 1.00 71.50 H new ATOM 0 HG2 LYS A 25 -0.989 -9.129 -6.403 1.00 63.31 H new ATOM 0 HG3 LYS A 25 -1.973 -9.350 -7.837 1.00 63.31 H new ATOM 0 HD2 LYS A 25 1.057 -9.467 -7.644 1.00 64.03 H new ATOM 0 HD3 LYS A 25 -0.037 -10.791 -7.990 1.00 64.03 H new ATOM 0 HE2 LYS A 25 -0.571 -9.863 -10.185 1.00 55.14 H new ATOM 0 HE3 LYS A 25 0.329 -8.400 -9.838 1.00 55.14 H new ATOM 0 HZ1 LYS A 25 1.689 -9.791 -11.150 1.00 41.21 H new ATOM 0 HZ2 LYS A 25 2.335 -9.832 -9.579 1.00 41.21 H new ATOM 0 HZ3 LYS A 25 1.417 -11.140 -10.155 1.00 41.21 H new ATOM 407 N ASN A 26 -2.956 -7.952 -5.224 1.00 33.44 N ATOM 408 CA ASN A 26 -3.988 -8.710 -4.537 1.00 41.41 C ATOM 409 C ASN A 26 -4.981 -7.805 -3.811 1.00 44.31 C ATOM 410 O ASN A 26 -6.141 -8.177 -3.632 1.00 34.23 O ATOM 411 CB ASN A 26 -3.323 -9.612 -3.490 1.00 63.12 C ATOM 412 CG ASN A 26 -2.316 -10.582 -4.080 1.00 2.31 C ATOM 413 OD1 ASN A 26 -2.690 -11.569 -4.704 1.00 74.24 O ATOM 414 ND2 ASN A 26 -1.030 -10.312 -3.920 1.00 72.04 N ATOM 0 H ASN A 26 -2.044 -8.046 -4.778 1.00 33.44 H new ATOM 0 HA ASN A 26 -4.529 -9.286 -5.288 1.00 41.41 H new ATOM 0 HB2 ASN A 26 -2.824 -8.988 -2.749 1.00 63.12 H new ATOM 0 HB3 ASN A 26 -4.094 -10.176 -2.965 1.00 63.12 H new ATOM 0 HD21 ASN A 26 -0.325 -10.931 -4.320 1.00 72.04 H new ATOM 0 HD22 ASN A 26 -0.744 -9.485 -3.397 1.00 72.04 H new ATOM 421 N SER A 27 -4.527 -6.646 -3.331 1.00 62.03 N ATOM 422 CA SER A 27 -5.347 -5.686 -2.607 1.00 20.33 C ATOM 423 C SER A 27 -6.021 -4.670 -3.539 1.00 22.13 C ATOM 424 O SER A 27 -6.958 -4.024 -3.098 1.00 25.43 O ATOM 425 CB SER A 27 -4.552 -5.060 -1.452 1.00 65.44 C ATOM 426 OG SER A 27 -3.173 -4.945 -1.732 1.00 44.32 O ATOM 0 H SER A 27 -3.558 -6.347 -3.439 1.00 62.03 H new ATOM 0 HA SER A 27 -6.181 -6.219 -2.149 1.00 20.33 H new ATOM 0 HB2 SER A 27 -4.957 -4.072 -1.233 1.00 65.44 H new ATOM 0 HB3 SER A 27 -4.686 -5.665 -0.555 1.00 65.44 H new ATOM 0 HG SER A 27 -2.663 -5.010 -0.898 1.00 44.32 H new ATOM 432 N SER A 28 -5.654 -4.588 -4.819 1.00 70.33 N ATOM 433 CA SER A 28 -6.243 -3.687 -5.816 1.00 72.40 C ATOM 434 C SER A 28 -6.382 -2.209 -5.377 1.00 51.13 C ATOM 435 O SER A 28 -7.507 -1.739 -5.180 1.00 15.23 O ATOM 436 CB SER A 28 -7.601 -4.263 -6.253 1.00 53.20 C ATOM 437 OG SER A 28 -7.540 -5.656 -6.514 1.00 63.33 O ATOM 0 H SER A 28 -4.910 -5.169 -5.206 1.00 70.33 H new ATOM 0 HA SER A 28 -5.542 -3.646 -6.650 1.00 72.40 H new ATOM 0 HB2 SER A 28 -8.340 -4.074 -5.474 1.00 53.20 H new ATOM 0 HB3 SER A 28 -7.942 -3.743 -7.148 1.00 53.20 H new ATOM 0 HG SER A 28 -8.425 -5.977 -6.786 1.00 63.33 H new ATOM 443 N PRO A 29 -5.269 -1.462 -5.246 1.00 21.02 N ATOM 444 CA PRO A 29 -5.298 -0.055 -4.860 1.00 42.10 C ATOM 445 C PRO A 29 -5.881 0.825 -5.971 1.00 33.03 C ATOM 446 O PRO A 29 -5.943 0.453 -7.149 1.00 4.15 O ATOM 447 CB PRO A 29 -3.841 0.339 -4.590 1.00 21.51 C ATOM 448 CG PRO A 29 -3.049 -0.644 -5.455 1.00 63.03 C ATOM 449 CD PRO A 29 -3.900 -1.909 -5.441 1.00 61.34 C ATOM 0 HA PRO A 29 -5.932 0.088 -3.985 1.00 42.10 H new ATOM 0 HB2 PRO A 29 -3.644 1.373 -4.872 1.00 21.51 H new ATOM 0 HB3 PRO A 29 -3.586 0.243 -3.535 1.00 21.51 H new ATOM 0 HG2 PRO A 29 -2.912 -0.265 -6.468 1.00 63.03 H new ATOM 0 HG3 PRO A 29 -2.055 -0.826 -5.046 1.00 63.03 H new ATOM 0 HD2 PRO A 29 -3.798 -2.460 -6.376 1.00 61.34 H new ATOM 0 HD3 PRO A 29 -3.590 -2.580 -4.640 1.00 61.34 H new ATOM 457 N ASP A 30 -6.302 2.026 -5.592 1.00 12.51 N ATOM 458 CA ASP A 30 -6.870 3.046 -6.458 1.00 65.21 C ATOM 459 C ASP A 30 -5.731 3.931 -6.936 1.00 33.24 C ATOM 460 O ASP A 30 -5.658 4.252 -8.122 1.00 10.31 O ATOM 461 CB ASP A 30 -7.881 3.908 -5.699 1.00 54.14 C ATOM 462 CG ASP A 30 -8.461 4.977 -6.619 1.00 11.42 C ATOM 463 OD1 ASP A 30 -9.059 4.602 -7.646 1.00 53.11 O ATOM 464 OD2 ASP A 30 -8.344 6.187 -6.304 1.00 20.45 O ATOM 0 H ASP A 30 -6.252 2.328 -4.619 1.00 12.51 H new ATOM 0 HA ASP A 30 -7.385 2.569 -7.292 1.00 65.21 H new ATOM 0 HB2 ASP A 30 -8.682 3.281 -5.308 1.00 54.14 H new ATOM 0 HB3 ASP A 30 -7.398 4.379 -4.843 1.00 54.14 H new ATOM 469 N GLN A 31 -4.784 4.228 -6.044 1.00 34.23 N ATOM 470 CA GLN A 31 -3.628 5.066 -6.313 1.00 51.55 C ATOM 471 C GLN A 31 -2.356 4.436 -5.739 1.00 2.53 C ATOM 472 O GLN A 31 -2.440 3.602 -4.840 1.00 52.10 O ATOM 473 CB GLN A 31 -3.897 6.420 -5.655 1.00 55.13 C ATOM 474 CG GLN A 31 -3.088 7.628 -6.133 1.00 31.35 C ATOM 475 CD GLN A 31 -3.703 8.309 -7.345 1.00 70.24 C ATOM 476 OE1 GLN A 31 -4.895 8.605 -7.374 1.00 14.54 O ATOM 477 NE2 GLN A 31 -2.909 8.603 -8.358 1.00 65.34 N ATOM 0 H GLN A 31 -4.807 3.878 -5.086 1.00 34.23 H new ATOM 0 HA GLN A 31 -3.475 5.177 -7.386 1.00 51.55 H new ATOM 0 HB2 GLN A 31 -4.953 6.652 -5.790 1.00 55.13 H new ATOM 0 HB3 GLN A 31 -3.729 6.309 -4.584 1.00 55.13 H new ATOM 0 HG2 GLN A 31 -3.006 8.349 -5.320 1.00 31.35 H new ATOM 0 HG3 GLN A 31 -2.075 7.307 -6.378 1.00 31.35 H new ATOM 0 HE21 GLN A 31 -1.921 8.352 -8.321 1.00 65.34 H new ATOM 0 HE22 GLN A 31 -3.283 9.081 -9.177 1.00 65.34 H new ATOM 486 N ILE A 32 -1.181 4.812 -6.254 1.00 5.54 N ATOM 487 CA ILE A 32 0.132 4.330 -5.820 1.00 31.33 C ATOM 488 C ILE A 32 1.095 5.507 -5.975 1.00 3.14 C ATOM 489 O ILE A 32 1.230 6.041 -7.082 1.00 23.42 O ATOM 490 CB ILE A 32 0.611 3.123 -6.668 1.00 43.23 C ATOM 491 CG1 ILE A 32 -0.386 1.945 -6.653 1.00 24.43 C ATOM 492 CG2 ILE A 32 1.984 2.630 -6.160 1.00 43.34 C ATOM 493 CD1 ILE A 32 -0.140 0.930 -7.768 1.00 45.21 C ATOM 0 H ILE A 32 -1.117 5.488 -7.015 1.00 5.54 H new ATOM 0 HA ILE A 32 0.086 3.980 -4.789 1.00 31.33 H new ATOM 0 HB ILE A 32 0.688 3.476 -7.696 1.00 43.23 H new ATOM 0 HG12 ILE A 32 -0.324 1.438 -5.690 1.00 24.43 H new ATOM 0 HG13 ILE A 32 -1.400 2.335 -6.744 1.00 24.43 H new ATOM 0 HG21 ILE A 32 2.312 1.782 -6.762 1.00 43.34 H new ATOM 0 HG22 ILE A 32 2.713 3.436 -6.241 1.00 43.34 H new ATOM 0 HG23 ILE A 32 1.897 2.323 -5.118 1.00 43.34 H new ATOM 0 HD11 ILE A 32 -0.876 0.129 -7.699 1.00 45.21 H new ATOM 0 HD12 ILE A 32 -0.230 1.423 -8.736 1.00 45.21 H new ATOM 0 HD13 ILE A 32 0.862 0.513 -7.666 1.00 45.21 H new ATOM 505 N ARG A 33 1.826 5.879 -4.924 1.00 5.15 N ATOM 506 CA ARG A 33 2.776 6.984 -4.916 1.00 74.42 C ATOM 507 C ARG A 33 4.015 6.595 -4.118 1.00 34.30 C ATOM 508 O ARG A 33 3.945 6.519 -2.894 1.00 31.15 O ATOM 509 CB ARG A 33 2.045 8.184 -4.314 1.00 2.44 C ATOM 510 CG ARG A 33 2.927 9.426 -4.238 1.00 60.23 C ATOM 511 CD ARG A 33 2.051 10.680 -4.280 1.00 13.51 C ATOM 512 NE ARG A 33 2.796 11.879 -3.881 1.00 11.24 N ATOM 513 CZ ARG A 33 2.879 12.407 -2.658 1.00 64.21 C ATOM 514 NH1 ARG A 33 2.260 11.834 -1.631 1.00 32.25 N ATOM 515 NH2 ARG A 33 3.616 13.500 -2.503 1.00 3.23 N ATOM 0 H ARG A 33 1.769 5.400 -4.025 1.00 5.15 H new ATOM 0 HA ARG A 33 3.125 7.235 -5.918 1.00 74.42 H new ATOM 0 HB2 ARG A 33 1.162 8.405 -4.913 1.00 2.44 H new ATOM 0 HB3 ARG A 33 1.696 7.928 -3.314 1.00 2.44 H new ATOM 0 HG2 ARG A 33 3.515 9.411 -3.320 1.00 60.23 H new ATOM 0 HG3 ARG A 33 3.633 9.435 -5.069 1.00 60.23 H new ATOM 0 HD2 ARG A 33 1.658 10.815 -5.288 1.00 13.51 H new ATOM 0 HD3 ARG A 33 1.195 10.547 -3.619 1.00 13.51 H new ATOM 0 HE ARG A 33 3.307 12.363 -4.620 1.00 11.24 H new ATOM 0 HH11 ARG A 33 1.716 10.983 -1.774 1.00 32.25 H new ATOM 0 HH12 ARG A 33 2.329 12.245 -0.700 1.00 32.25 H new ATOM 0 HH21 ARG A 33 4.096 13.909 -3.304 1.00 3.23 H new ATOM 0 HH22 ARG A 33 3.702 13.931 -1.582 1.00 3.23 H new ATOM 529 N LEU A 34 5.133 6.320 -4.791 1.00 52.34 N ATOM 530 CA LEU A 34 6.397 5.929 -4.166 1.00 10.14 C ATOM 531 C LEU A 34 7.269 7.159 -3.923 1.00 73.32 C ATOM 532 O LEU A 34 7.557 7.887 -4.868 1.00 52.34 O ATOM 533 CB LEU A 34 7.098 4.908 -5.088 1.00 60.15 C ATOM 534 CG LEU A 34 8.445 4.288 -4.621 1.00 74.22 C ATOM 535 CD1 LEU A 34 9.603 5.138 -5.157 1.00 35.24 C ATOM 536 CD2 LEU A 34 8.551 4.190 -3.100 1.00 14.12 C ATOM 0 H LEU A 34 5.186 6.364 -5.809 1.00 52.34 H new ATOM 0 HA LEU A 34 6.216 5.467 -3.195 1.00 10.14 H new ATOM 0 HB2 LEU A 34 6.401 4.089 -5.266 1.00 60.15 H new ATOM 0 HB3 LEU A 34 7.272 5.394 -6.048 1.00 60.15 H new ATOM 0 HG LEU A 34 8.493 3.273 -5.015 1.00 74.22 H new ATOM 0 HD11 LEU A 34 10.551 4.708 -4.833 1.00 35.24 H new ATOM 0 HD12 LEU A 34 9.567 5.157 -6.246 1.00 35.24 H new ATOM 0 HD13 LEU A 34 9.516 6.155 -4.774 1.00 35.24 H new ATOM 0 HD21 LEU A 34 9.511 3.750 -2.830 1.00 14.12 H new ATOM 0 HD22 LEU A 34 8.473 5.186 -2.665 1.00 14.12 H new ATOM 0 HD23 LEU A 34 7.745 3.563 -2.719 1.00 14.12 H new ATOM 548 N ARG A 35 7.656 7.442 -2.676 1.00 0.42 N ATOM 549 CA ARG A 35 8.523 8.565 -2.318 1.00 45.32 C ATOM 550 C ARG A 35 9.788 7.997 -1.676 1.00 10.53 C ATOM 551 O ARG A 35 9.923 7.949 -0.446 1.00 60.41 O ATOM 552 CB ARG A 35 7.771 9.623 -1.485 1.00 74.11 C ATOM 553 CG ARG A 35 7.116 10.677 -2.398 1.00 42.41 C ATOM 554 CD ARG A 35 8.152 11.706 -2.886 1.00 24.32 C ATOM 555 NE ARG A 35 7.696 12.435 -4.080 1.00 22.13 N ATOM 556 CZ ARG A 35 7.672 13.761 -4.274 1.00 34.21 C ATOM 557 NH1 ARG A 35 7.968 14.623 -3.307 1.00 31.13 N ATOM 558 NH2 ARG A 35 7.306 14.259 -5.452 1.00 41.25 N ATOM 0 H ARG A 35 7.369 6.885 -1.872 1.00 0.42 H new ATOM 0 HA ARG A 35 8.834 9.124 -3.201 1.00 45.32 H new ATOM 0 HB2 ARG A 35 7.008 9.138 -0.877 1.00 74.11 H new ATOM 0 HB3 ARG A 35 8.463 10.110 -0.798 1.00 74.11 H new ATOM 0 HG2 ARG A 35 6.656 10.185 -3.255 1.00 42.41 H new ATOM 0 HG3 ARG A 35 6.319 11.187 -1.857 1.00 42.41 H new ATOM 0 HD2 ARG A 35 8.359 12.417 -2.086 1.00 24.32 H new ATOM 0 HD3 ARG A 35 9.089 11.196 -3.110 1.00 24.32 H new ATOM 0 HE ARG A 35 7.357 11.862 -4.853 1.00 22.13 H new ATOM 0 HH11 ARG A 35 8.224 14.282 -2.380 1.00 31.13 H new ATOM 0 HH12 ARG A 35 7.939 15.626 -3.491 1.00 31.13 H new ATOM 0 HH21 ARG A 35 7.042 13.631 -6.211 1.00 41.25 H new ATOM 0 HH22 ARG A 35 7.289 15.269 -5.596 1.00 41.25 H new ATOM 572 N ALA A 36 10.727 7.561 -2.520 1.00 45.02 N ATOM 573 CA ALA A 36 12.007 6.994 -2.103 1.00 31.00 C ATOM 574 C ALA A 36 12.810 7.998 -1.274 1.00 3.33 C ATOM 575 O ALA A 36 13.609 7.577 -0.448 1.00 64.45 O ATOM 576 CB ALA A 36 12.826 6.529 -3.312 1.00 55.11 C ATOM 0 H ALA A 36 10.614 7.594 -3.533 1.00 45.02 H new ATOM 0 HA ALA A 36 11.793 6.126 -1.479 1.00 31.00 H new ATOM 0 HB1 ALA A 36 13.773 6.112 -2.971 1.00 55.11 H new ATOM 0 HB2 ALA A 36 12.269 5.767 -3.857 1.00 55.11 H new ATOM 0 HB3 ALA A 36 13.019 7.377 -3.969 1.00 55.11 H new ATOM 582 N ASP A 37 12.524 9.302 -1.396 1.00 64.14 N ATOM 583 CA ASP A 37 13.179 10.399 -0.674 1.00 1.03 C ATOM 584 C ASP A 37 13.138 10.202 0.852 1.00 30.14 C ATOM 585 O ASP A 37 13.898 10.839 1.577 1.00 24.23 O ATOM 586 CB ASP A 37 12.560 11.739 -1.095 1.00 60.14 C ATOM 587 CG ASP A 37 12.951 12.116 -2.519 1.00 13.21 C ATOM 588 OD1 ASP A 37 12.307 11.604 -3.463 1.00 51.04 O ATOM 589 OD2 ASP A 37 13.903 12.904 -2.716 1.00 15.02 O ATOM 0 H ASP A 37 11.797 9.634 -2.029 1.00 64.14 H new ATOM 0 HA ASP A 37 14.235 10.402 -0.945 1.00 1.03 H new ATOM 0 HB2 ASP A 37 11.474 11.678 -1.019 1.00 60.14 H new ATOM 0 HB3 ASP A 37 12.884 12.522 -0.409 1.00 60.14 H new ATOM 594 N LYS A 38 12.225 9.372 1.365 1.00 71.50 N ATOM 595 CA LYS A 38 12.091 9.017 2.782 1.00 64.11 C ATOM 596 C LYS A 38 11.955 7.490 2.917 1.00 64.33 C ATOM 597 O LYS A 38 11.956 6.983 4.035 1.00 32.34 O ATOM 598 CB LYS A 38 10.958 9.785 3.493 1.00 30.10 C ATOM 599 CG LYS A 38 11.443 11.129 4.066 1.00 73.42 C ATOM 600 CD LYS A 38 10.389 11.817 4.955 1.00 3.30 C ATOM 601 CE LYS A 38 10.883 13.211 5.383 1.00 75.41 C ATOM 602 NZ LYS A 38 10.084 13.814 6.475 1.00 72.51 N ATOM 0 H LYS A 38 11.529 8.909 0.780 1.00 71.50 H new ATOM 0 HA LYS A 38 12.998 9.330 3.299 1.00 64.11 H new ATOM 0 HB2 LYS A 38 10.144 9.963 2.790 1.00 30.10 H new ATOM 0 HB3 LYS A 38 10.555 9.172 4.299 1.00 30.10 H new ATOM 0 HG2 LYS A 38 12.350 10.964 4.648 1.00 73.42 H new ATOM 0 HG3 LYS A 38 11.708 11.794 3.244 1.00 73.42 H new ATOM 0 HD2 LYS A 38 9.448 11.907 4.412 1.00 3.30 H new ATOM 0 HD3 LYS A 38 10.192 11.207 5.836 1.00 3.30 H new ATOM 0 HE2 LYS A 38 11.922 13.136 5.703 1.00 75.41 H new ATOM 0 HE3 LYS A 38 10.862 13.876 4.519 1.00 75.41 H new ATOM 0 HZ1 LYS A 38 10.471 14.750 6.713 1.00 72.51 H new ATOM 0 HZ2 LYS A 38 9.096 13.916 6.167 1.00 72.51 H new ATOM 0 HZ3 LYS A 38 10.123 13.200 7.314 1.00 72.51 H new ATOM 616 N GLY A 39 11.891 6.742 1.807 1.00 34.15 N ATOM 617 CA GLY A 39 11.741 5.293 1.800 1.00 21.23 C ATOM 618 C GLY A 39 10.324 4.935 2.217 1.00 23.21 C ATOM 619 O GLY A 39 10.134 3.992 2.981 1.00 54.45 O ATOM 0 H GLY A 39 11.944 7.144 0.871 1.00 34.15 H new ATOM 0 HA2 GLY A 39 11.951 4.899 0.806 1.00 21.23 H new ATOM 0 HA3 GLY A 39 12.459 4.838 2.482 1.00 21.23 H new ATOM 623 N ILE A 40 9.331 5.673 1.722 1.00 21.13 N ATOM 624 CA ILE A 40 7.933 5.487 2.042 1.00 43.01 C ATOM 625 C ILE A 40 7.079 5.491 0.765 1.00 50.54 C ATOM 626 O ILE A 40 7.574 5.817 -0.318 1.00 33.00 O ATOM 627 CB ILE A 40 7.524 6.631 3.004 1.00 41.11 C ATOM 628 CG1 ILE A 40 7.703 7.991 2.308 1.00 61.33 C ATOM 629 CG2 ILE A 40 8.286 6.610 4.341 1.00 20.01 C ATOM 630 CD1 ILE A 40 7.047 9.187 2.995 1.00 51.00 C ATOM 0 H ILE A 40 9.492 6.439 1.067 1.00 21.13 H new ATOM 0 HA ILE A 40 7.770 4.522 2.521 1.00 43.01 H new ATOM 0 HB ILE A 40 6.474 6.472 3.249 1.00 41.11 H new ATOM 0 HG12 ILE A 40 8.770 8.191 2.215 1.00 61.33 H new ATOM 0 HG13 ILE A 40 7.304 7.914 1.297 1.00 61.33 H new ATOM 0 HG21 ILE A 40 7.949 7.438 4.965 1.00 20.01 H new ATOM 0 HG22 ILE A 40 8.094 5.668 4.854 1.00 20.01 H new ATOM 0 HG23 ILE A 40 9.355 6.709 4.152 1.00 20.01 H new ATOM 0 HD11 ILE A 40 7.239 10.090 2.416 1.00 51.00 H new ATOM 0 HD12 ILE A 40 5.972 9.022 3.064 1.00 51.00 H new ATOM 0 HD13 ILE A 40 7.461 9.304 3.997 1.00 51.00 H new ATOM 642 N ALA A 41 5.794 5.164 0.886 1.00 65.31 N ATOM 643 CA ALA A 41 4.819 5.148 -0.188 1.00 64.25 C ATOM 644 C ALA A 41 3.426 5.393 0.394 1.00 35.43 C ATOM 645 O ALA A 41 3.214 5.303 1.607 1.00 3.04 O ATOM 646 CB ALA A 41 4.858 3.831 -0.978 1.00 2.22 C ATOM 0 H ALA A 41 5.391 4.891 1.782 1.00 65.31 H new ATOM 0 HA ALA A 41 5.066 5.943 -0.891 1.00 64.25 H new ATOM 0 HB1 ALA A 41 4.112 3.861 -1.773 1.00 2.22 H new ATOM 0 HB2 ALA A 41 5.848 3.698 -1.414 1.00 2.22 H new ATOM 0 HB3 ALA A 41 4.641 2.999 -0.309 1.00 2.22 H new ATOM 652 N PHE A 42 2.484 5.700 -0.492 1.00 1.34 N ATOM 653 CA PHE A 42 1.084 5.968 -0.209 1.00 41.44 C ATOM 654 C PHE A 42 0.286 5.204 -1.253 1.00 61.42 C ATOM 655 O PHE A 42 0.714 5.126 -2.411 1.00 45.43 O ATOM 656 CB PHE A 42 0.755 7.465 -0.348 1.00 41.42 C ATOM 657 CG PHE A 42 1.602 8.424 0.466 1.00 23.03 C ATOM 658 CD1 PHE A 42 2.916 8.747 0.073 1.00 65.13 C ATOM 659 CD2 PHE A 42 1.054 9.026 1.609 1.00 32.42 C ATOM 660 CE1 PHE A 42 3.688 9.629 0.851 1.00 41.43 C ATOM 661 CE2 PHE A 42 1.813 9.920 2.380 1.00 43.53 C ATOM 662 CZ PHE A 42 3.137 10.214 2.006 1.00 64.54 C ATOM 0 H PHE A 42 2.694 5.772 -1.488 1.00 1.34 H new ATOM 0 HA PHE A 42 0.848 5.668 0.812 1.00 41.44 H new ATOM 0 HB2 PHE A 42 0.846 7.738 -1.399 1.00 41.42 H new ATOM 0 HB3 PHE A 42 -0.289 7.612 -0.070 1.00 41.42 H new ATOM 0 HD1 PHE A 42 3.331 8.317 -0.827 1.00 65.13 H new ATOM 0 HD2 PHE A 42 0.038 8.799 1.898 1.00 32.42 H new ATOM 0 HE1 PHE A 42 4.703 9.857 0.562 1.00 41.43 H new ATOM 0 HE2 PHE A 42 1.382 10.380 3.257 1.00 43.53 H new ATOM 0 HZ PHE A 42 3.730 10.889 2.605 1.00 64.54 H new ATOM 672 N LEU A 43 -0.848 4.644 -0.846 1.00 71.44 N ATOM 673 CA LEU A 43 -1.750 3.893 -1.693 1.00 53.21 C ATOM 674 C LEU A 43 -3.162 4.218 -1.247 1.00 63.22 C ATOM 675 O LEU A 43 -3.503 3.927 -0.102 1.00 2.44 O ATOM 676 CB LEU A 43 -1.525 2.379 -1.585 1.00 0.44 C ATOM 677 CG LEU A 43 -0.187 1.913 -2.170 1.00 2.10 C ATOM 678 CD1 LEU A 43 0.893 1.754 -1.098 1.00 62.15 C ATOM 679 CD2 LEU A 43 -0.365 0.563 -2.857 1.00 74.41 C ATOM 0 H LEU A 43 -1.171 4.707 0.120 1.00 71.44 H new ATOM 0 HA LEU A 43 -1.573 4.170 -2.732 1.00 53.21 H new ATOM 0 HB2 LEU A 43 -1.575 2.087 -0.536 1.00 0.44 H new ATOM 0 HB3 LEU A 43 -2.336 1.862 -2.098 1.00 0.44 H new ATOM 0 HG LEU A 43 0.130 2.679 -2.877 1.00 2.10 H new ATOM 0 HD11 LEU A 43 1.821 1.422 -1.563 1.00 62.15 H new ATOM 0 HD12 LEU A 43 1.057 2.711 -0.602 1.00 62.15 H new ATOM 0 HD13 LEU A 43 0.571 1.015 -0.364 1.00 62.15 H new ATOM 0 HD21 LEU A 43 0.589 0.237 -3.271 1.00 74.41 H new ATOM 0 HD22 LEU A 43 -0.716 -0.171 -2.132 1.00 74.41 H new ATOM 0 HD23 LEU A 43 -1.096 0.657 -3.660 1.00 74.41 H new ATOM 691 N GLU A 44 -3.939 4.876 -2.098 1.00 42.23 N ATOM 692 CA GLU A 44 -5.324 5.240 -1.826 1.00 72.12 C ATOM 693 C GLU A 44 -6.190 4.061 -2.307 1.00 21.13 C ATOM 694 O GLU A 44 -5.785 3.341 -3.224 1.00 54.42 O ATOM 695 CB GLU A 44 -5.726 6.518 -2.585 1.00 62.11 C ATOM 696 CG GLU A 44 -5.130 7.891 -2.187 1.00 44.33 C ATOM 697 CD GLU A 44 -3.608 8.030 -1.960 1.00 22.12 C ATOM 698 OE1 GLU A 44 -2.797 7.585 -2.799 1.00 31.43 O ATOM 699 OE2 GLU A 44 -3.230 8.727 -0.985 1.00 53.14 O ATOM 0 H GLU A 44 -3.617 5.178 -3.017 1.00 42.23 H new ATOM 0 HA GLU A 44 -5.460 5.439 -0.763 1.00 72.12 H new ATOM 0 HB2 GLU A 44 -5.487 6.356 -3.636 1.00 62.11 H new ATOM 0 HB3 GLU A 44 -6.810 6.606 -2.515 1.00 62.11 H new ATOM 0 HG2 GLU A 44 -5.410 8.604 -2.962 1.00 44.33 H new ATOM 0 HG3 GLU A 44 -5.626 8.207 -1.269 1.00 44.33 H new ATOM 706 N PHE A 45 -7.401 3.893 -1.767 1.00 0.42 N ATOM 707 CA PHE A 45 -8.350 2.828 -2.086 1.00 64.10 C ATOM 708 C PHE A 45 -9.778 3.384 -2.005 1.00 11.55 C ATOM 709 O PHE A 45 -10.223 3.767 -0.921 1.00 31.23 O ATOM 710 CB PHE A 45 -8.190 1.681 -1.078 1.00 10.22 C ATOM 711 CG PHE A 45 -6.875 0.920 -1.097 1.00 12.34 C ATOM 712 CD1 PHE A 45 -5.710 1.470 -0.527 1.00 63.24 C ATOM 713 CD2 PHE A 45 -6.846 -0.403 -1.570 1.00 34.35 C ATOM 714 CE1 PHE A 45 -4.530 0.709 -0.454 1.00 34.00 C ATOM 715 CE2 PHE A 45 -5.679 -1.174 -1.459 1.00 42.43 C ATOM 716 CZ PHE A 45 -4.515 -0.622 -0.902 1.00 55.41 C ATOM 0 H PHE A 45 -7.762 4.531 -1.058 1.00 0.42 H new ATOM 0 HA PHE A 45 -8.158 2.455 -3.092 1.00 64.10 H new ATOM 0 HB2 PHE A 45 -8.330 2.089 -0.077 1.00 10.22 H new ATOM 0 HB3 PHE A 45 -8.996 0.967 -1.247 1.00 10.22 H new ATOM 0 HD1 PHE A 45 -5.723 2.480 -0.145 1.00 63.24 H new ATOM 0 HD2 PHE A 45 -7.729 -0.830 -2.023 1.00 34.35 H new ATOM 0 HE1 PHE A 45 -3.630 1.150 -0.051 1.00 34.00 H new ATOM 0 HE2 PHE A 45 -5.676 -2.197 -1.804 1.00 42.43 H new ATOM 0 HZ PHE A 45 -3.616 -1.215 -0.819 1.00 55.41 H new ATOM 726 N ASP A 46 -10.496 3.454 -3.130 1.00 42.42 N ATOM 727 CA ASP A 46 -11.867 3.975 -3.204 1.00 12.43 C ATOM 728 C ASP A 46 -12.914 3.048 -2.581 1.00 20.22 C ATOM 729 O ASP A 46 -13.163 1.957 -3.099 1.00 62.01 O ATOM 730 CB ASP A 46 -12.276 4.284 -4.647 1.00 22.21 C ATOM 731 CG ASP A 46 -13.698 4.850 -4.648 1.00 71.35 C ATOM 732 OD1 ASP A 46 -14.035 5.628 -3.732 1.00 44.42 O ATOM 733 OD2 ASP A 46 -14.502 4.486 -5.529 1.00 44.34 O ATOM 0 H ASP A 46 -10.135 3.145 -4.032 1.00 42.42 H new ATOM 0 HA ASP A 46 -11.846 4.893 -2.617 1.00 12.43 H new ATOM 0 HB2 ASP A 46 -11.584 5.001 -5.090 1.00 22.21 H new ATOM 0 HB3 ASP A 46 -12.230 3.380 -5.254 1.00 22.21 H new ATOM 738 N ALA A 47 -13.528 3.472 -1.473 1.00 52.14 N ATOM 739 CA ALA A 47 -14.557 2.739 -0.743 1.00 70.13 C ATOM 740 C ALA A 47 -15.900 2.720 -1.472 1.00 42.41 C ATOM 741 O ALA A 47 -16.774 1.940 -1.085 1.00 24.04 O ATOM 742 CB ALA A 47 -14.733 3.323 0.661 1.00 63.14 C ATOM 0 H ALA A 47 -13.310 4.372 -1.046 1.00 52.14 H new ATOM 0 HA ALA A 47 -14.215 1.706 -0.672 1.00 70.13 H new ATOM 0 HB1 ALA A 47 -15.504 2.766 1.193 1.00 63.14 H new ATOM 0 HB2 ALA A 47 -13.792 3.251 1.206 1.00 63.14 H new ATOM 0 HB3 ALA A 47 -15.029 4.369 0.585 1.00 63.14 H new ATOM 748 N ASP A 48 -16.114 3.593 -2.462 1.00 53.00 N ATOM 749 CA ASP A 48 -17.369 3.587 -3.215 1.00 34.04 C ATOM 750 C ASP A 48 -17.276 2.573 -4.359 1.00 21.30 C ATOM 751 O ASP A 48 -18.288 2.029 -4.804 1.00 75.34 O ATOM 752 CB ASP A 48 -17.718 4.971 -3.752 1.00 11.01 C ATOM 753 CG ASP A 48 -18.992 4.885 -4.594 1.00 24.14 C ATOM 754 OD1 ASP A 48 -20.059 4.522 -4.054 1.00 70.44 O ATOM 755 OD2 ASP A 48 -18.901 5.122 -5.823 1.00 20.32 O ATOM 0 H ASP A 48 -15.444 4.303 -2.757 1.00 53.00 H new ATOM 0 HA ASP A 48 -18.170 3.297 -2.535 1.00 34.04 H new ATOM 0 HB2 ASP A 48 -17.862 5.668 -2.926 1.00 11.01 H new ATOM 0 HB3 ASP A 48 -16.896 5.357 -4.355 1.00 11.01 H new ATOM 760 N LYS A 49 -16.062 2.227 -4.795 1.00 63.41 N ATOM 761 CA LYS A 49 -15.854 1.266 -5.862 1.00 52.03 C ATOM 762 C LYS A 49 -16.416 -0.088 -5.450 1.00 12.32 C ATOM 763 O LYS A 49 -17.117 -0.709 -6.244 1.00 34.15 O ATOM 764 CB LYS A 49 -14.346 1.145 -6.140 1.00 41.13 C ATOM 765 CG LYS A 49 -13.990 0.676 -7.551 1.00 64.54 C ATOM 766 CD LYS A 49 -14.492 -0.734 -7.895 1.00 64.13 C ATOM 767 CE LYS A 49 -13.805 -1.340 -9.120 1.00 22.13 C ATOM 768 NZ LYS A 49 -14.427 -2.633 -9.484 1.00 62.54 N ATOM 0 H LYS A 49 -15.198 2.611 -4.412 1.00 63.41 H new ATOM 0 HA LYS A 49 -16.366 1.600 -6.765 1.00 52.03 H new ATOM 0 HB2 LYS A 49 -13.880 2.115 -5.966 1.00 41.13 H new ATOM 0 HB3 LYS A 49 -13.913 0.450 -5.421 1.00 41.13 H new ATOM 0 HG2 LYS A 49 -14.404 1.382 -8.271 1.00 64.54 H new ATOM 0 HG3 LYS A 49 -12.906 0.701 -7.667 1.00 64.54 H new ATOM 0 HD2 LYS A 49 -14.333 -1.388 -7.038 1.00 64.13 H new ATOM 0 HD3 LYS A 49 -15.567 -0.696 -8.072 1.00 64.13 H new ATOM 0 HE2 LYS A 49 -13.873 -0.649 -9.960 1.00 22.13 H new ATOM 0 HE3 LYS A 49 -12.745 -1.486 -8.913 1.00 22.13 H new ATOM 0 HZ1 LYS A 49 -13.946 -3.027 -10.318 1.00 62.54 H new ATOM 0 HZ2 LYS A 49 -14.340 -3.297 -8.688 1.00 62.54 H new ATOM 0 HZ3 LYS A 49 -15.433 -2.485 -9.703 1.00 62.54 H new ATOM 782 N ASP A 50 -16.172 -0.529 -4.218 1.00 43.34 N ATOM 783 CA ASP A 50 -16.626 -1.831 -3.753 1.00 53.23 C ATOM 784 C ASP A 50 -17.000 -1.777 -2.273 1.00 10.01 C ATOM 785 O ASP A 50 -16.174 -2.039 -1.399 1.00 45.20 O ATOM 786 CB ASP A 50 -15.468 -2.790 -4.049 1.00 42.14 C ATOM 787 CG ASP A 50 -15.821 -4.259 -3.945 1.00 72.21 C ATOM 788 OD1 ASP A 50 -16.832 -4.609 -3.304 1.00 63.50 O ATOM 789 OD2 ASP A 50 -15.004 -5.043 -4.496 1.00 61.34 O ATOM 0 H ASP A 50 -15.656 0.006 -3.519 1.00 43.34 H new ATOM 0 HA ASP A 50 -17.533 -2.166 -4.256 1.00 53.23 H new ATOM 0 HB2 ASP A 50 -15.096 -2.590 -5.054 1.00 42.14 H new ATOM 0 HB3 ASP A 50 -14.652 -2.577 -3.359 1.00 42.14 H new ATOM 794 N ARG A 51 -18.261 -1.455 -1.969 1.00 1.52 N ATOM 795 CA ARG A 51 -18.762 -1.338 -0.595 1.00 32.12 C ATOM 796 C ARG A 51 -18.461 -2.547 0.291 1.00 54.42 C ATOM 797 O ARG A 51 -18.163 -2.338 1.470 1.00 22.00 O ATOM 798 CB ARG A 51 -20.271 -0.998 -0.592 1.00 40.14 C ATOM 799 CG ARG A 51 -20.578 0.351 0.082 1.00 54.32 C ATOM 800 CD ARG A 51 -20.542 0.248 1.611 1.00 10.45 C ATOM 801 NE ARG A 51 -20.528 1.574 2.261 1.00 75.32 N ATOM 802 CZ ARG A 51 -21.088 1.890 3.439 1.00 21.24 C ATOM 803 NH1 ARG A 51 -21.801 1.014 4.139 1.00 11.52 N ATOM 804 NH2 ARG A 51 -20.917 3.099 3.959 1.00 55.02 N ATOM 0 H ARG A 51 -18.971 -1.266 -2.677 1.00 1.52 H new ATOM 0 HA ARG A 51 -18.208 -0.514 -0.145 1.00 32.12 H new ATOM 0 HB2 ARG A 51 -20.636 -0.977 -1.619 1.00 40.14 H new ATOM 0 HB3 ARG A 51 -20.816 -1.789 -0.076 1.00 40.14 H new ATOM 0 HG2 ARG A 51 -19.853 1.095 -0.249 1.00 54.32 H new ATOM 0 HG3 ARG A 51 -21.561 0.700 -0.235 1.00 54.32 H new ATOM 0 HD2 ARG A 51 -21.410 -0.314 1.956 1.00 10.45 H new ATOM 0 HD3 ARG A 51 -19.658 -0.313 1.915 1.00 10.45 H new ATOM 0 HE ARG A 51 -20.045 2.324 1.766 1.00 75.32 H new ATOM 0 HH11 ARG A 51 -21.937 0.067 3.784 1.00 11.52 H new ATOM 0 HH12 ARG A 51 -22.213 1.288 5.031 1.00 11.52 H new ATOM 0 HH21 ARG A 51 -20.358 3.793 3.463 1.00 55.02 H new ATOM 0 HH22 ARG A 51 -21.345 3.334 4.855 1.00 55.02 H new ATOM 818 N THR A 52 -18.512 -3.781 -0.216 1.00 72.24 N ATOM 819 CA THR A 52 -18.230 -4.951 0.619 1.00 61.51 C ATOM 820 C THR A 52 -16.780 -5.440 0.471 1.00 11.33 C ATOM 821 O THR A 52 -16.255 -6.065 1.400 1.00 13.50 O ATOM 822 CB THR A 52 -19.278 -6.060 0.387 1.00 53.03 C ATOM 823 OG1 THR A 52 -19.220 -6.632 -0.909 1.00 12.24 O ATOM 824 CG2 THR A 52 -20.716 -5.569 0.599 1.00 24.14 C ATOM 0 H THR A 52 -18.742 -3.995 -1.186 1.00 72.24 H new ATOM 0 HA THR A 52 -18.321 -4.647 1.662 1.00 61.51 H new ATOM 0 HB THR A 52 -19.020 -6.814 1.130 1.00 53.03 H new ATOM 0 HG1 THR A 52 -19.906 -7.327 -0.991 1.00 12.24 H new ATOM 0 HG21 THR A 52 -21.411 -6.390 0.422 1.00 24.14 H new ATOM 0 HG22 THR A 52 -20.831 -5.210 1.622 1.00 24.14 H new ATOM 0 HG23 THR A 52 -20.930 -4.757 -0.096 1.00 24.14 H new ATOM 832 N GLY A 53 -16.086 -5.076 -0.612 1.00 25.41 N ATOM 833 CA GLY A 53 -14.716 -5.490 -0.877 1.00 52.21 C ATOM 834 C GLY A 53 -13.647 -4.506 -0.415 1.00 32.31 C ATOM 835 O GLY A 53 -12.497 -4.925 -0.301 1.00 13.40 O ATOM 0 H GLY A 53 -16.473 -4.474 -1.339 1.00 25.41 H new ATOM 0 HA2 GLY A 53 -14.541 -6.449 -0.390 1.00 52.21 H new ATOM 0 HA3 GLY A 53 -14.602 -5.651 -1.949 1.00 52.21 H new ATOM 839 N ILE A 54 -13.964 -3.238 -0.117 1.00 24.21 N ATOM 840 CA ILE A 54 -12.970 -2.257 0.351 1.00 33.31 C ATOM 841 C ILE A 54 -12.254 -2.810 1.593 1.00 65.12 C ATOM 842 O ILE A 54 -11.044 -2.641 1.755 1.00 34.42 O ATOM 843 CB ILE A 54 -13.609 -0.868 0.585 1.00 71.04 C ATOM 844 CG1 ILE A 54 -12.566 0.176 1.050 1.00 54.22 C ATOM 845 CG2 ILE A 54 -14.770 -0.895 1.591 1.00 64.10 C ATOM 846 CD1 ILE A 54 -11.599 0.591 -0.060 1.00 5.52 C ATOM 0 H ILE A 54 -14.910 -2.864 -0.192 1.00 24.21 H new ATOM 0 HA ILE A 54 -12.219 -2.103 -0.424 1.00 33.31 H new ATOM 0 HB ILE A 54 -14.010 -0.577 -0.386 1.00 71.04 H new ATOM 0 HG12 ILE A 54 -13.085 1.060 1.421 1.00 54.22 H new ATOM 0 HG13 ILE A 54 -11.998 -0.234 1.885 1.00 54.22 H new ATOM 0 HG21 ILE A 54 -15.173 0.111 1.709 1.00 64.10 H new ATOM 0 HG22 ILE A 54 -15.553 -1.559 1.225 1.00 64.10 H new ATOM 0 HG23 ILE A 54 -14.409 -1.256 2.554 1.00 64.10 H new ATOM 0 HD11 ILE A 54 -10.892 1.325 0.328 1.00 5.52 H new ATOM 0 HD12 ILE A 54 -11.055 -0.284 -0.415 1.00 5.52 H new ATOM 0 HD13 ILE A 54 -12.159 1.029 -0.886 1.00 5.52 H new ATOM 858 N GLN A 55 -13.009 -3.509 2.443 1.00 1.32 N ATOM 859 CA GLN A 55 -12.521 -4.139 3.652 1.00 4.43 C ATOM 860 C GLN A 55 -11.463 -5.165 3.245 1.00 22.23 C ATOM 861 O GLN A 55 -10.305 -5.017 3.609 1.00 14.01 O ATOM 862 CB GLN A 55 -13.723 -4.727 4.402 1.00 64.42 C ATOM 863 CG GLN A 55 -13.350 -5.457 5.690 1.00 51.03 C ATOM 864 CD GLN A 55 -12.867 -6.883 5.439 1.00 73.14 C ATOM 865 OE1 GLN A 55 -13.632 -7.767 5.060 1.00 32.23 O ATOM 866 NE2 GLN A 55 -11.584 -7.128 5.586 1.00 0.14 N ATOM 0 H GLN A 55 -14.008 -3.651 2.296 1.00 1.32 H new ATOM 0 HA GLN A 55 -12.040 -3.444 4.340 1.00 4.43 H new ATOM 0 HB2 GLN A 55 -14.419 -3.923 4.640 1.00 64.42 H new ATOM 0 HB3 GLN A 55 -14.248 -5.418 3.743 1.00 64.42 H new ATOM 0 HG2 GLN A 55 -12.569 -4.899 6.206 1.00 51.03 H new ATOM 0 HG3 GLN A 55 -14.215 -5.482 6.353 1.00 51.03 H new ATOM 0 HE21 GLN A 55 -10.956 -6.388 5.901 1.00 0.14 H new ATOM 0 HE22 GLN A 55 -11.216 -8.058 5.385 1.00 0.14 H new ATOM 875 N ARG A 56 -11.824 -6.176 2.445 1.00 65.23 N ATOM 876 CA ARG A 56 -10.893 -7.208 1.980 1.00 22.05 C ATOM 877 C ARG A 56 -9.643 -6.573 1.380 1.00 53.00 C ATOM 878 O ARG A 56 -8.545 -7.038 1.679 1.00 54.21 O ATOM 879 CB ARG A 56 -11.587 -8.155 0.991 1.00 54.22 C ATOM 880 CG ARG A 56 -12.629 -9.051 1.682 1.00 64.10 C ATOM 881 CD ARG A 56 -12.016 -10.251 2.420 1.00 61.30 C ATOM 882 NE ARG A 56 -11.452 -11.235 1.477 1.00 74.52 N ATOM 883 CZ ARG A 56 -10.275 -11.867 1.560 1.00 63.14 C ATOM 884 NH1 ARG A 56 -9.481 -11.694 2.611 1.00 1.52 N ATOM 885 NH2 ARG A 56 -9.884 -12.682 0.585 1.00 33.44 N ATOM 0 H ARG A 56 -12.776 -6.300 2.101 1.00 65.23 H new ATOM 0 HA ARG A 56 -10.575 -7.805 2.835 1.00 22.05 H new ATOM 0 HB2 ARG A 56 -12.073 -7.570 0.210 1.00 54.22 H new ATOM 0 HB3 ARG A 56 -10.839 -8.780 0.502 1.00 54.22 H new ATOM 0 HG2 ARG A 56 -13.198 -8.451 2.392 1.00 64.10 H new ATOM 0 HG3 ARG A 56 -13.334 -9.416 0.935 1.00 64.10 H new ATOM 0 HD2 ARG A 56 -11.234 -9.903 3.095 1.00 61.30 H new ATOM 0 HD3 ARG A 56 -12.778 -10.730 3.034 1.00 61.30 H new ATOM 0 HE ARG A 56 -12.027 -11.461 0.665 1.00 74.52 H new ATOM 0 HH11 ARG A 56 -9.766 -11.073 3.368 1.00 1.52 H new ATOM 0 HH12 ARG A 56 -8.587 -12.182 2.661 1.00 1.52 H new ATOM 0 HH21 ARG A 56 -10.481 -12.827 -0.229 1.00 33.44 H new ATOM 0 HH22 ARG A 56 -8.987 -13.162 0.651 1.00 33.44 H new ATOM 899 N ARG A 57 -9.782 -5.530 0.550 1.00 4.35 N ATOM 900 CA ARG A 57 -8.641 -4.844 -0.043 1.00 13.40 C ATOM 901 C ARG A 57 -7.718 -4.355 1.077 1.00 12.42 C ATOM 902 O ARG A 57 -6.515 -4.610 1.007 1.00 4.21 O ATOM 903 CB ARG A 57 -9.120 -3.662 -0.894 1.00 31.54 C ATOM 904 CG ARG A 57 -9.848 -4.023 -2.194 1.00 33.43 C ATOM 905 CD ARG A 57 -10.160 -2.712 -2.923 1.00 34.20 C ATOM 906 NE ARG A 57 -10.511 -2.879 -4.345 1.00 12.40 N ATOM 907 CZ ARG A 57 -11.616 -3.464 -4.822 1.00 65.05 C ATOM 908 NH1 ARG A 57 -12.450 -4.081 -3.991 1.00 54.14 N ATOM 909 NH2 ARG A 57 -11.878 -3.452 -6.125 1.00 61.03 N ATOM 0 H ARG A 57 -10.686 -5.145 0.276 1.00 4.35 H new ATOM 0 HA ARG A 57 -8.095 -5.531 -0.690 1.00 13.40 H new ATOM 0 HB2 ARG A 57 -9.785 -3.048 -0.287 1.00 31.54 H new ATOM 0 HB3 ARG A 57 -8.256 -3.046 -1.143 1.00 31.54 H new ATOM 0 HG2 ARG A 57 -9.227 -4.669 -2.815 1.00 33.43 H new ATOM 0 HG3 ARG A 57 -10.766 -4.571 -1.981 1.00 33.43 H new ATOM 0 HD2 ARG A 57 -10.984 -2.213 -2.413 1.00 34.20 H new ATOM 0 HD3 ARG A 57 -9.295 -2.054 -2.849 1.00 34.20 H new ATOM 0 HE ARG A 57 -9.849 -2.514 -5.030 1.00 12.40 H new ATOM 0 HH11 ARG A 57 -12.247 -4.108 -2.992 1.00 54.14 H new ATOM 0 HH12 ARG A 57 -13.293 -4.527 -4.353 1.00 54.14 H new ATOM 0 HH21 ARG A 57 -11.234 -2.994 -6.770 1.00 61.03 H new ATOM 0 HH22 ARG A 57 -12.723 -3.901 -6.479 1.00 61.03 H new ATOM 923 N MET A 58 -8.272 -3.667 2.084 1.00 52.20 N ATOM 924 CA MET A 58 -7.532 -3.151 3.228 1.00 13.25 C ATOM 925 C MET A 58 -6.847 -4.303 3.950 1.00 20.30 C ATOM 926 O MET A 58 -5.656 -4.219 4.189 1.00 42.23 O ATOM 927 CB MET A 58 -8.448 -2.383 4.213 1.00 71.34 C ATOM 928 CG MET A 58 -8.284 -0.864 4.130 1.00 73.23 C ATOM 929 SD MET A 58 -9.183 0.067 5.399 1.00 33.31 S ATOM 930 CE MET A 58 -10.708 0.337 4.473 1.00 21.52 C ATOM 0 H MET A 58 -9.269 -3.453 2.121 1.00 52.20 H new ATOM 0 HA MET A 58 -6.788 -2.446 2.856 1.00 13.25 H new ATOM 0 HB2 MET A 58 -9.487 -2.641 4.009 1.00 71.34 H new ATOM 0 HB3 MET A 58 -8.232 -2.710 5.230 1.00 71.34 H new ATOM 0 HG2 MET A 58 -7.224 -0.622 4.205 1.00 73.23 H new ATOM 0 HG3 MET A 58 -8.619 -0.529 3.148 1.00 73.23 H new ATOM 0 HE1 MET A 58 -11.382 0.963 5.057 1.00 21.52 H new ATOM 0 HE2 MET A 58 -10.478 0.833 3.530 1.00 21.52 H new ATOM 0 HE3 MET A 58 -11.186 -0.622 4.272 1.00 21.52 H new ATOM 940 N ASP A 59 -7.546 -5.398 4.233 1.00 74.45 N ATOM 941 CA ASP A 59 -7.041 -6.588 4.926 1.00 1.00 C ATOM 942 C ASP A 59 -5.803 -7.152 4.251 1.00 22.31 C ATOM 943 O ASP A 59 -4.763 -7.354 4.874 1.00 52.41 O ATOM 944 CB ASP A 59 -8.121 -7.677 4.917 1.00 21.54 C ATOM 945 CG ASP A 59 -8.296 -8.352 6.276 1.00 72.32 C ATOM 946 OD1 ASP A 59 -8.808 -7.687 7.205 1.00 61.54 O ATOM 947 OD2 ASP A 59 -8.015 -9.569 6.390 1.00 30.14 O ATOM 0 H ASP A 59 -8.529 -5.488 3.974 1.00 74.45 H new ATOM 0 HA ASP A 59 -6.784 -6.290 5.943 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -9.070 -7.238 4.610 1.00 21.54 H new ATOM 0 HB3 ASP A 59 -7.863 -8.431 4.173 1.00 21.54 H new ATOM 952 N ILE A 60 -5.926 -7.412 2.951 1.00 34.10 N ATOM 953 CA ILE A 60 -4.880 -7.968 2.116 1.00 50.24 C ATOM 954 C ILE A 60 -3.689 -7.007 2.106 1.00 41.15 C ATOM 955 O ILE A 60 -2.543 -7.464 2.098 1.00 24.12 O ATOM 956 CB ILE A 60 -5.499 -8.297 0.735 1.00 33.10 C ATOM 957 CG1 ILE A 60 -6.557 -9.423 0.853 1.00 75.41 C ATOM 958 CG2 ILE A 60 -4.444 -8.739 -0.282 1.00 22.42 C ATOM 959 CD1 ILE A 60 -7.598 -9.411 -0.272 1.00 30.32 C ATOM 0 H ILE A 60 -6.790 -7.233 2.439 1.00 34.10 H new ATOM 0 HA ILE A 60 -4.477 -8.907 2.495 1.00 50.24 H new ATOM 0 HB ILE A 60 -5.965 -7.375 0.387 1.00 33.10 H new ATOM 0 HG12 ILE A 60 -6.049 -10.388 0.856 1.00 75.41 H new ATOM 0 HG13 ILE A 60 -7.069 -9.329 1.811 1.00 75.41 H new ATOM 0 HG21 ILE A 60 -4.926 -8.959 -1.234 1.00 22.42 H new ATOM 0 HG22 ILE A 60 -3.715 -7.941 -0.420 1.00 22.42 H new ATOM 0 HG23 ILE A 60 -3.939 -9.633 0.083 1.00 22.42 H new ATOM 0 HD11 ILE A 60 -8.305 -10.227 -0.122 1.00 30.32 H new ATOM 0 HD12 ILE A 60 -8.133 -8.461 -0.263 1.00 30.32 H new ATOM 0 HD13 ILE A 60 -7.097 -9.536 -1.232 1.00 30.32 H new ATOM 971 N ALA A 61 -3.931 -5.693 2.109 1.00 65.33 N ATOM 972 CA ALA A 61 -2.865 -4.709 2.134 1.00 11.11 C ATOM 973 C ALA A 61 -2.234 -4.675 3.533 1.00 71.52 C ATOM 974 O ALA A 61 -1.012 -4.612 3.635 1.00 65.21 O ATOM 975 CB ALA A 61 -3.407 -3.324 1.754 1.00 63.44 C ATOM 0 H ALA A 61 -4.868 -5.291 2.094 1.00 65.33 H new ATOM 0 HA ALA A 61 -2.103 -4.986 1.406 1.00 11.11 H new ATOM 0 HB1 ALA A 61 -2.595 -2.597 1.777 1.00 63.44 H new ATOM 0 HB2 ALA A 61 -3.831 -3.362 0.751 1.00 63.44 H new ATOM 0 HB3 ALA A 61 -4.180 -3.028 2.464 1.00 63.44 H new ATOM 981 N LEU A 62 -3.037 -4.741 4.603 1.00 75.12 N ATOM 982 CA LEU A 62 -2.584 -4.693 5.996 1.00 54.11 C ATOM 983 C LEU A 62 -1.700 -5.884 6.329 1.00 44.04 C ATOM 984 O LEU A 62 -0.728 -5.762 7.082 1.00 63.21 O ATOM 985 CB LEU A 62 -3.786 -4.649 6.955 1.00 31.51 C ATOM 986 CG LEU A 62 -4.431 -3.256 7.107 1.00 11.43 C ATOM 987 CD1 LEU A 62 -5.787 -3.386 7.811 1.00 64.51 C ATOM 988 CD2 LEU A 62 -3.546 -2.298 7.918 1.00 34.23 C ATOM 0 H LEU A 62 -4.049 -4.832 4.519 1.00 75.12 H new ATOM 0 HA LEU A 62 -1.996 -3.784 6.121 1.00 54.11 H new ATOM 0 HB2 LEU A 62 -4.543 -5.349 6.602 1.00 31.51 H new ATOM 0 HB3 LEU A 62 -3.464 -4.996 7.937 1.00 31.51 H new ATOM 0 HG LEU A 62 -4.555 -2.845 6.105 1.00 11.43 H new ATOM 0 HD11 LEU A 62 -6.239 -2.399 7.916 1.00 64.51 H new ATOM 0 HD12 LEU A 62 -6.444 -4.025 7.220 1.00 64.51 H new ATOM 0 HD13 LEU A 62 -5.644 -3.826 8.798 1.00 64.51 H new ATOM 0 HD21 LEU A 62 -4.039 -1.329 8.000 1.00 34.23 H new ATOM 0 HD22 LEU A 62 -3.384 -2.708 8.915 1.00 34.23 H new ATOM 0 HD23 LEU A 62 -2.587 -2.176 7.415 1.00 34.23 H new ATOM 1000 N LEU A 63 -2.008 -7.036 5.738 1.00 54.42 N ATOM 1001 CA LEU A 63 -1.267 -8.270 5.927 1.00 74.40 C ATOM 1002 C LEU A 63 0.154 -8.174 5.366 1.00 1.45 C ATOM 1003 O LEU A 63 0.971 -9.046 5.660 1.00 71.22 O ATOM 1004 CB LEU A 63 -2.063 -9.438 5.309 1.00 31.31 C ATOM 1005 CG LEU A 63 -3.216 -9.912 6.219 1.00 13.41 C ATOM 1006 CD1 LEU A 63 -4.224 -10.742 5.417 1.00 32.34 C ATOM 1007 CD2 LEU A 63 -2.703 -10.746 7.400 1.00 54.14 C ATOM 0 H LEU A 63 -2.798 -7.134 5.101 1.00 54.42 H new ATOM 0 HA LEU A 63 -1.150 -8.455 6.995 1.00 74.40 H new ATOM 0 HB2 LEU A 63 -2.468 -9.128 4.346 1.00 31.31 H new ATOM 0 HB3 LEU A 63 -1.388 -10.273 5.118 1.00 31.31 H new ATOM 0 HG LEU A 63 -3.702 -9.019 6.613 1.00 13.41 H new ATOM 0 HD11 LEU A 63 -5.031 -11.068 6.073 1.00 32.34 H new ATOM 0 HD12 LEU A 63 -4.636 -10.135 4.611 1.00 32.34 H new ATOM 0 HD13 LEU A 63 -3.724 -11.614 4.996 1.00 32.34 H new ATOM 0 HD21 LEU A 63 -3.545 -11.060 8.016 1.00 54.14 H new ATOM 0 HD22 LEU A 63 -2.180 -11.625 7.024 1.00 54.14 H new ATOM 0 HD23 LEU A 63 -2.019 -10.145 7.999 1.00 54.14 H new ATOM 1019 N GLN A 64 0.490 -7.114 4.620 1.00 43.22 N ATOM 1020 CA GLN A 64 1.830 -6.954 4.073 1.00 65.41 C ATOM 1021 C GLN A 64 2.757 -6.276 5.107 1.00 44.21 C ATOM 1022 O GLN A 64 3.930 -6.075 4.814 1.00 42.11 O ATOM 1023 CB GLN A 64 1.821 -6.163 2.747 1.00 31.30 C ATOM 1024 CG GLN A 64 0.796 -6.580 1.673 1.00 43.01 C ATOM 1025 CD GLN A 64 0.862 -8.041 1.224 1.00 53.23 C ATOM 1026 OE1 GLN A 64 1.749 -8.449 0.482 1.00 15.00 O ATOM 1027 NE2 GLN A 64 -0.134 -8.839 1.565 1.00 51.12 N ATOM 0 H GLN A 64 -0.153 -6.358 4.385 1.00 43.22 H new ATOM 0 HA GLN A 64 2.216 -7.949 3.853 1.00 65.41 H new ATOM 0 HB2 GLN A 64 1.651 -5.113 2.984 1.00 31.30 H new ATOM 0 HB3 GLN A 64 2.816 -6.234 2.307 1.00 31.30 H new ATOM 0 HG2 GLN A 64 -0.205 -6.382 2.056 1.00 43.01 H new ATOM 0 HG3 GLN A 64 0.934 -5.944 0.799 1.00 43.01 H new ATOM 0 HE21 GLN A 64 -0.871 -8.499 2.182 1.00 51.12 H new ATOM 0 HE22 GLN A 64 -0.166 -9.795 1.211 1.00 51.12 H new ATOM 1036 N HIS A 65 2.289 -5.891 6.302 1.00 32.33 N ATOM 1037 CA HIS A 65 3.098 -5.252 7.341 1.00 23.14 C ATOM 1038 C HIS A 65 4.195 -6.206 7.796 1.00 52.14 C ATOM 1039 O HIS A 65 3.916 -7.229 8.429 1.00 33.33 O ATOM 1040 CB HIS A 65 2.199 -4.817 8.498 1.00 3.01 C ATOM 1041 CG HIS A 65 2.840 -3.944 9.547 1.00 42.35 C ATOM 1042 ND1 HIS A 65 3.997 -3.187 9.381 1.00 12.43 N ATOM 1043 CD2 HIS A 65 2.299 -3.668 10.768 1.00 3.14 C ATOM 1044 CE1 HIS A 65 4.133 -2.481 10.517 1.00 60.34 C ATOM 1045 NE2 HIS A 65 3.130 -2.750 11.368 1.00 12.12 N ATOM 0 H HIS A 65 1.315 -6.019 6.576 1.00 32.33 H new ATOM 0 HA HIS A 65 3.581 -4.359 6.944 1.00 23.14 H new ATOM 0 HB2 HIS A 65 1.343 -4.284 8.085 1.00 3.01 H new ATOM 0 HB3 HIS A 65 1.812 -5.711 8.986 1.00 3.01 H new ATOM 0 HD2 HIS A 65 1.395 -4.088 11.183 1.00 3.14 H new ATOM 0 HE1 HIS A 65 4.939 -1.791 10.718 1.00 60.34 H new ATOM 0 HE2 HIS A 65 3.006 -2.345 12.296 1.00 12.12 H new ATOM 1053 N GLY A 66 5.438 -5.861 7.483 1.00 64.41 N ATOM 1054 CA GLY A 66 6.623 -6.638 7.822 1.00 30.04 C ATOM 1055 C GLY A 66 7.134 -7.482 6.658 1.00 13.34 C ATOM 1056 O GLY A 66 8.026 -8.305 6.871 1.00 33.20 O ATOM 0 H GLY A 66 5.655 -5.006 6.970 1.00 64.41 H new ATOM 0 HA2 GLY A 66 7.413 -5.962 8.148 1.00 30.04 H new ATOM 0 HA3 GLY A 66 6.394 -7.291 8.664 1.00 30.04 H new ATOM 1060 N THR A 67 6.584 -7.337 5.447 1.00 51.32 N ATOM 1061 CA THR A 67 7.063 -8.110 4.310 1.00 24.25 C ATOM 1062 C THR A 67 8.493 -7.684 3.982 1.00 32.24 C ATOM 1063 O THR A 67 8.863 -6.515 4.148 1.00 2.21 O ATOM 1064 CB THR A 67 6.175 -7.906 3.069 1.00 45.00 C ATOM 1065 OG1 THR A 67 5.929 -6.532 2.831 1.00 33.12 O ATOM 1066 CG2 THR A 67 4.845 -8.653 3.182 1.00 51.53 C ATOM 0 H THR A 67 5.817 -6.698 5.237 1.00 51.32 H new ATOM 0 HA THR A 67 7.029 -9.166 4.579 1.00 24.25 H new ATOM 0 HB THR A 67 6.728 -8.320 2.226 1.00 45.00 H new ATOM 0 HG1 THR A 67 5.208 -6.222 3.418 1.00 33.12 H new ATOM 0 HG21 THR A 67 4.253 -8.479 2.284 1.00 51.53 H new ATOM 0 HG22 THR A 67 5.035 -9.721 3.290 1.00 51.53 H new ATOM 0 HG23 THR A 67 4.298 -8.292 4.053 1.00 51.53 H new ATOM 1074 N LEU A 68 9.294 -8.632 3.512 1.00 13.41 N ATOM 1075 CA LEU A 68 10.666 -8.408 3.110 1.00 13.03 C ATOM 1076 C LEU A 68 10.586 -8.128 1.622 1.00 51.54 C ATOM 1077 O LEU A 68 10.039 -8.927 0.857 1.00 42.43 O ATOM 1078 CB LEU A 68 11.553 -9.610 3.457 1.00 10.21 C ATOM 1079 CG LEU A 68 11.594 -9.940 4.961 1.00 55.54 C ATOM 1080 CD1 LEU A 68 12.802 -10.792 5.333 1.00 21.03 C ATOM 1081 CD2 LEU A 68 11.738 -8.680 5.802 1.00 20.25 C ATOM 0 H LEU A 68 8.994 -9.600 3.399 1.00 13.41 H new ATOM 0 HA LEU A 68 11.132 -7.576 3.637 1.00 13.03 H new ATOM 0 HB2 LEU A 68 11.194 -10.483 2.913 1.00 10.21 H new ATOM 0 HB3 LEU A 68 12.567 -9.413 3.110 1.00 10.21 H new ATOM 0 HG LEU A 68 10.659 -10.465 5.156 1.00 55.54 H new ATOM 0 HD11 LEU A 68 12.786 -10.998 6.403 1.00 21.03 H new ATOM 0 HD12 LEU A 68 12.768 -11.732 4.782 1.00 21.03 H new ATOM 0 HD13 LEU A 68 13.717 -10.256 5.080 1.00 21.03 H new ATOM 0 HD21 LEU A 68 11.764 -8.948 6.858 1.00 20.25 H new ATOM 0 HD22 LEU A 68 12.663 -8.168 5.535 1.00 20.25 H new ATOM 0 HD23 LEU A 68 10.891 -8.020 5.616 1.00 20.25 H new ATOM 1093 N LEU A 69 11.065 -6.953 1.231 1.00 73.23 N ATOM 1094 CA LEU A 69 11.071 -6.472 -0.133 1.00 51.40 C ATOM 1095 C LEU A 69 12.481 -6.063 -0.481 1.00 15.11 C ATOM 1096 O LEU A 69 13.049 -5.183 0.162 1.00 34.42 O ATOM 1097 CB LEU A 69 10.096 -5.291 -0.252 1.00 24.22 C ATOM 1098 CG LEU A 69 8.778 -5.766 -0.878 1.00 55.01 C ATOM 1099 CD1 LEU A 69 7.609 -4.997 -0.270 1.00 10.12 C ATOM 1100 CD2 LEU A 69 8.850 -5.585 -2.398 1.00 45.32 C ATOM 0 H LEU A 69 11.475 -6.288 1.887 1.00 73.23 H new ATOM 0 HA LEU A 69 10.747 -7.247 -0.828 1.00 51.40 H new ATOM 0 HB2 LEU A 69 9.908 -4.862 0.732 1.00 24.22 H new ATOM 0 HB3 LEU A 69 10.537 -4.504 -0.864 1.00 24.22 H new ATOM 0 HG LEU A 69 8.619 -6.824 -0.668 1.00 55.01 H new ATOM 0 HD11 LEU A 69 6.676 -5.339 -0.718 1.00 10.12 H new ATOM 0 HD12 LEU A 69 7.579 -5.171 0.806 1.00 10.12 H new ATOM 0 HD13 LEU A 69 7.735 -3.932 -0.462 1.00 10.12 H new ATOM 0 HD21 LEU A 69 7.916 -5.921 -2.849 1.00 45.32 H new ATOM 0 HD22 LEU A 69 9.008 -4.532 -2.632 1.00 45.32 H new ATOM 0 HD23 LEU A 69 9.677 -6.173 -2.796 1.00 45.32 H new ATOM 1112 N LYS A 70 13.036 -6.709 -1.501 1.00 50.23 N ATOM 1113 CA LYS A 70 14.382 -6.474 -2.014 1.00 51.24 C ATOM 1114 C LYS A 70 15.438 -6.440 -0.902 1.00 51.20 C ATOM 1115 O LYS A 70 16.359 -5.622 -0.935 1.00 1.10 O ATOM 1116 CB LYS A 70 14.394 -5.266 -2.960 1.00 63.03 C ATOM 1117 CG LYS A 70 13.245 -5.369 -3.986 1.00 10.11 C ATOM 1118 CD LYS A 70 13.525 -4.671 -5.313 1.00 42.05 C ATOM 1119 CE LYS A 70 13.221 -3.175 -5.361 1.00 53.51 C ATOM 1120 NZ LYS A 70 13.545 -2.691 -6.714 1.00 21.22 N ATOM 0 H LYS A 70 12.542 -7.439 -2.013 1.00 50.23 H new ATOM 0 HA LYS A 70 14.680 -7.329 -2.621 1.00 51.24 H new ATOM 0 HB2 LYS A 70 14.294 -4.346 -2.385 1.00 63.03 H new ATOM 0 HB3 LYS A 70 15.350 -5.214 -3.481 1.00 63.03 H new ATOM 0 HG2 LYS A 70 13.039 -6.422 -4.179 1.00 10.11 H new ATOM 0 HG3 LYS A 70 12.343 -4.943 -3.548 1.00 10.11 H new ATOM 0 HD2 LYS A 70 14.576 -4.816 -5.562 1.00 42.05 H new ATOM 0 HD3 LYS A 70 12.942 -5.165 -6.090 1.00 42.05 H new ATOM 0 HE2 LYS A 70 12.171 -2.991 -5.131 1.00 53.51 H new ATOM 0 HE3 LYS A 70 13.809 -2.642 -4.614 1.00 53.51 H new ATOM 0 HZ1 LYS A 70 13.985 -1.751 -6.650 1.00 21.22 H new ATOM 0 HZ2 LYS A 70 14.206 -3.352 -7.170 1.00 21.22 H new ATOM 0 HZ3 LYS A 70 12.674 -2.628 -7.278 1.00 21.22 H new ATOM 1134 N GLU A 71 15.287 -7.350 0.064 1.00 15.23 N ATOM 1135 CA GLU A 71 16.132 -7.586 1.231 1.00 51.34 C ATOM 1136 C GLU A 71 16.053 -6.479 2.290 1.00 21.34 C ATOM 1137 O GLU A 71 16.996 -6.261 3.062 1.00 41.31 O ATOM 1138 CB GLU A 71 17.552 -8.006 0.798 1.00 44.40 C ATOM 1139 CG GLU A 71 17.508 -9.107 -0.277 1.00 41.00 C ATOM 1140 CD GLU A 71 18.866 -9.742 -0.554 1.00 35.20 C ATOM 1141 OE1 GLU A 71 19.732 -9.075 -1.163 1.00 23.13 O ATOM 1142 OE2 GLU A 71 19.043 -10.919 -0.166 1.00 62.33 O ATOM 0 H GLU A 71 14.499 -7.997 0.045 1.00 15.23 H new ATOM 0 HA GLU A 71 15.727 -8.439 1.775 1.00 51.34 H new ATOM 0 HB2 GLU A 71 18.088 -7.139 0.411 1.00 44.40 H new ATOM 0 HB3 GLU A 71 18.108 -8.364 1.665 1.00 44.40 H new ATOM 0 HG2 GLU A 71 16.810 -9.883 0.038 1.00 41.00 H new ATOM 0 HG3 GLU A 71 17.118 -8.684 -1.203 1.00 41.00 H new ATOM 1149 N LYS A 72 14.899 -5.811 2.375 1.00 10.51 N ATOM 1150 CA LYS A 72 14.585 -4.735 3.308 1.00 10.42 C ATOM 1151 C LYS A 72 13.189 -4.965 3.869 1.00 70.31 C ATOM 1152 O LYS A 72 12.235 -5.096 3.107 1.00 11.32 O ATOM 1153 CB LYS A 72 14.661 -3.386 2.569 1.00 51.14 C ATOM 1154 CG LYS A 72 16.046 -2.740 2.721 1.00 14.23 C ATOM 1155 CD LYS A 72 16.118 -1.918 4.015 1.00 52.01 C ATOM 1156 CE LYS A 72 15.484 -0.546 3.777 1.00 4.54 C ATOM 1157 NZ LYS A 72 15.013 0.105 5.012 1.00 32.45 N ATOM 0 H LYS A 72 14.116 -6.022 1.756 1.00 10.51 H new ATOM 0 HA LYS A 72 15.300 -4.721 4.131 1.00 10.42 H new ATOM 0 HB2 LYS A 72 14.442 -3.536 1.512 1.00 51.14 H new ATOM 0 HB3 LYS A 72 13.899 -2.712 2.960 1.00 51.14 H new ATOM 0 HG2 LYS A 72 16.815 -3.513 2.731 1.00 14.23 H new ATOM 0 HG3 LYS A 72 16.250 -2.098 1.864 1.00 14.23 H new ATOM 0 HD2 LYS A 72 15.597 -2.438 4.819 1.00 52.01 H new ATOM 0 HD3 LYS A 72 17.155 -1.803 4.329 1.00 52.01 H new ATOM 0 HE2 LYS A 72 16.212 0.102 3.289 1.00 4.54 H new ATOM 0 HE3 LYS A 72 14.644 -0.656 3.091 1.00 4.54 H new ATOM 0 HZ1 LYS A 72 13.976 0.184 4.989 1.00 32.45 H new ATOM 0 HZ2 LYS A 72 15.299 -0.463 5.835 1.00 32.45 H new ATOM 0 HZ3 LYS A 72 15.431 1.055 5.085 1.00 32.45 H new ATOM 1171 N LYS A 73 13.058 -5.103 5.191 1.00 14.25 N ATOM 1172 CA LYS A 73 11.749 -5.286 5.804 1.00 40.54 C ATOM 1173 C LYS A 73 11.073 -3.931 5.736 1.00 74.14 C ATOM 1174 O LYS A 73 11.712 -2.918 6.036 1.00 32.43 O ATOM 1175 CB LYS A 73 11.855 -5.739 7.269 1.00 44.10 C ATOM 1176 CG LYS A 73 10.450 -6.057 7.819 1.00 75.05 C ATOM 1177 CD LYS A 73 10.407 -7.218 8.821 1.00 51.41 C ATOM 1178 CE LYS A 73 10.800 -6.832 10.246 1.00 34.21 C ATOM 1179 NZ LYS A 73 12.209 -6.408 10.383 1.00 44.20 N ATOM 0 H LYS A 73 13.838 -5.091 5.849 1.00 14.25 H new ATOM 0 HA LYS A 73 11.190 -6.063 5.282 1.00 40.54 H new ATOM 0 HB2 LYS A 73 12.492 -6.620 7.342 1.00 44.10 H new ATOM 0 HB3 LYS A 73 12.322 -4.957 7.868 1.00 44.10 H new ATOM 0 HG2 LYS A 73 10.051 -5.164 8.300 1.00 75.05 H new ATOM 0 HG3 LYS A 73 9.791 -6.291 6.983 1.00 75.05 H new ATOM 0 HD2 LYS A 73 9.400 -7.634 8.834 1.00 51.41 H new ATOM 0 HD3 LYS A 73 11.074 -8.007 8.474 1.00 51.41 H new ATOM 0 HE2 LYS A 73 10.153 -6.023 10.585 1.00 34.21 H new ATOM 0 HE3 LYS A 73 10.620 -7.681 10.905 1.00 34.21 H new ATOM 0 HZ1 LYS A 73 12.465 -6.374 11.390 1.00 44.20 H new ATOM 0 HZ2 LYS A 73 12.825 -7.087 9.892 1.00 44.20 H new ATOM 0 HZ3 LYS A 73 12.330 -5.464 9.963 1.00 44.20 H new ATOM 1193 N ILE A 74 9.795 -3.921 5.406 1.00 53.54 N ATOM 1194 CA ILE A 74 8.981 -2.720 5.285 1.00 22.24 C ATOM 1195 C ILE A 74 7.807 -2.759 6.272 1.00 14.44 C ATOM 1196 O ILE A 74 7.587 -3.778 6.924 1.00 65.40 O ATOM 1197 CB ILE A 74 8.557 -2.528 3.821 1.00 34.15 C ATOM 1198 CG1 ILE A 74 7.605 -3.634 3.328 1.00 21.13 C ATOM 1199 CG2 ILE A 74 9.765 -2.448 2.874 1.00 44.30 C ATOM 1200 CD1 ILE A 74 6.536 -3.064 2.396 1.00 22.43 C ATOM 0 H ILE A 74 9.275 -4.776 5.208 1.00 53.54 H new ATOM 0 HA ILE A 74 9.565 -1.841 5.559 1.00 22.24 H new ATOM 0 HB ILE A 74 8.024 -1.578 3.801 1.00 34.15 H new ATOM 0 HG12 ILE A 74 8.175 -4.403 2.806 1.00 21.13 H new ATOM 0 HG13 ILE A 74 7.128 -4.115 4.182 1.00 21.13 H new ATOM 0 HG21 ILE A 74 9.416 -2.312 1.850 1.00 44.30 H new ATOM 0 HG22 ILE A 74 10.395 -1.605 3.158 1.00 44.30 H new ATOM 0 HG23 ILE A 74 10.342 -3.370 2.941 1.00 44.30 H new ATOM 0 HD11 ILE A 74 5.878 -3.867 2.063 1.00 22.43 H new ATOM 0 HD12 ILE A 74 5.952 -2.313 2.928 1.00 22.43 H new ATOM 0 HD13 ILE A 74 7.015 -2.605 1.531 1.00 22.43 H new ATOM 1212 N ASN A 75 7.093 -1.640 6.419 1.00 12.42 N ATOM 1213 CA ASN A 75 5.932 -1.486 7.304 1.00 43.14 C ATOM 1214 C ASN A 75 4.710 -1.021 6.532 1.00 72.13 C ATOM 1215 O ASN A 75 4.859 -0.391 5.487 1.00 51.52 O ATOM 1216 CB ASN A 75 6.210 -0.438 8.400 1.00 52.35 C ATOM 1217 CG ASN A 75 6.562 0.949 7.882 1.00 5.12 C ATOM 1218 OD1 ASN A 75 7.728 1.314 7.797 1.00 31.00 O ATOM 1219 ND2 ASN A 75 5.583 1.766 7.523 1.00 32.44 N ATOM 0 H ASN A 75 7.314 -0.785 5.908 1.00 12.42 H new ATOM 0 HA ASN A 75 5.747 -2.464 7.748 1.00 43.14 H new ATOM 0 HB2 ASN A 75 5.331 -0.359 9.039 1.00 52.35 H new ATOM 0 HB3 ASN A 75 7.028 -0.795 9.026 1.00 52.35 H new ATOM 0 HD21 ASN A 75 5.800 2.700 7.175 1.00 32.44 H new ATOM 0 HD22 ASN A 75 4.612 1.461 7.594 1.00 32.44 H new ATOM 1226 N VAL A 76 3.521 -1.258 7.096 1.00 73.22 N ATOM 1227 CA VAL A 76 2.223 -0.886 6.550 1.00 74.34 C ATOM 1228 C VAL A 76 1.296 -0.486 7.704 1.00 14.21 C ATOM 1229 O VAL A 76 1.193 -1.207 8.699 1.00 60.14 O ATOM 1230 CB VAL A 76 1.635 -2.061 5.729 1.00 51.45 C ATOM 1231 CG1 VAL A 76 0.104 -2.074 5.707 1.00 55.14 C ATOM 1232 CG2 VAL A 76 2.118 -2.034 4.276 1.00 44.04 C ATOM 0 H VAL A 76 3.440 -1.740 7.992 1.00 73.22 H new ATOM 0 HA VAL A 76 2.328 -0.036 5.876 1.00 74.34 H new ATOM 0 HB VAL A 76 1.991 -2.958 6.235 1.00 51.45 H new ATOM 0 HG11 VAL A 76 -0.244 -2.921 5.116 1.00 55.14 H new ATOM 0 HG12 VAL A 76 -0.274 -2.163 6.726 1.00 55.14 H new ATOM 0 HG13 VAL A 76 -0.261 -1.148 5.264 1.00 55.14 H new ATOM 0 HG21 VAL A 76 1.684 -2.873 3.733 1.00 44.04 H new ATOM 0 HG22 VAL A 76 1.809 -1.100 3.807 1.00 44.04 H new ATOM 0 HG23 VAL A 76 3.205 -2.110 4.252 1.00 44.04 H new ATOM 1242 N GLU A 77 0.602 0.642 7.562 1.00 53.44 N ATOM 1243 CA GLU A 77 -0.358 1.176 8.523 1.00 54.21 C ATOM 1244 C GLU A 77 -1.447 1.927 7.757 1.00 42.41 C ATOM 1245 O GLU A 77 -1.273 2.276 6.590 1.00 4.03 O ATOM 1246 CB GLU A 77 0.282 2.058 9.610 1.00 61.52 C ATOM 1247 CG GLU A 77 1.459 2.938 9.190 1.00 55.01 C ATOM 1248 CD GLU A 77 2.185 3.513 10.401 1.00 34.43 C ATOM 1249 OE1 GLU A 77 2.965 2.756 11.022 1.00 72.21 O ATOM 1250 OE2 GLU A 77 2.067 4.729 10.685 1.00 73.25 O ATOM 0 H GLU A 77 0.699 1.234 6.737 1.00 53.44 H new ATOM 0 HA GLU A 77 -0.792 0.337 9.067 1.00 54.21 H new ATOM 0 HB2 GLU A 77 -0.494 2.704 10.021 1.00 61.52 H new ATOM 0 HB3 GLU A 77 0.617 1.408 10.419 1.00 61.52 H new ATOM 0 HG2 GLU A 77 2.156 2.353 8.590 1.00 55.01 H new ATOM 0 HG3 GLU A 77 1.100 3.751 8.559 1.00 55.01 H new ATOM 1257 N LEU A 78 -2.596 2.137 8.394 1.00 41.54 N ATOM 1258 CA LEU A 78 -3.740 2.830 7.833 1.00 55.41 C ATOM 1259 C LEU A 78 -3.595 4.327 8.056 1.00 64.22 C ATOM 1260 O LEU A 78 -3.032 4.776 9.056 1.00 31.51 O ATOM 1261 CB LEU A 78 -5.014 2.306 8.528 1.00 61.35 C ATOM 1262 CG LEU A 78 -6.130 1.808 7.602 1.00 71.31 C ATOM 1263 CD1 LEU A 78 -6.951 2.954 7.015 1.00 52.41 C ATOM 1264 CD2 LEU A 78 -5.602 0.897 6.487 1.00 33.11 C ATOM 0 H LEU A 78 -2.756 1.816 9.349 1.00 41.54 H new ATOM 0 HA LEU A 78 -3.804 2.648 6.760 1.00 55.41 H new ATOM 0 HB2 LEU A 78 -4.731 1.491 9.194 1.00 61.35 H new ATOM 0 HB3 LEU A 78 -5.417 3.103 9.153 1.00 61.35 H new ATOM 0 HG LEU A 78 -6.792 1.212 8.230 1.00 71.31 H new ATOM 0 HD11 LEU A 78 -7.728 2.550 6.366 1.00 52.41 H new ATOM 0 HD12 LEU A 78 -7.412 3.523 7.823 1.00 52.41 H new ATOM 0 HD13 LEU A 78 -6.300 3.609 6.436 1.00 52.41 H new ATOM 0 HD21 LEU A 78 -6.432 0.572 5.859 1.00 33.11 H new ATOM 0 HD22 LEU A 78 -4.881 1.445 5.880 1.00 33.11 H new ATOM 0 HD23 LEU A 78 -5.117 0.026 6.928 1.00 33.11 H new ATOM 1276 N THR A 79 -4.123 5.096 7.119 1.00 13.12 N ATOM 1277 CA THR A 79 -4.129 6.545 7.110 1.00 32.25 C ATOM 1278 C THR A 79 -5.446 6.988 6.483 1.00 52.12 C ATOM 1279 O THR A 79 -6.010 6.258 5.667 1.00 12.33 O ATOM 1280 CB THR A 79 -2.953 7.112 6.282 1.00 54.23 C ATOM 1281 OG1 THR A 79 -2.006 6.146 5.869 1.00 23.12 O ATOM 1282 CG2 THR A 79 -2.192 8.172 7.071 1.00 41.42 C ATOM 0 H THR A 79 -4.584 4.702 6.299 1.00 13.12 H new ATOM 0 HA THR A 79 -4.022 6.916 8.129 1.00 32.25 H new ATOM 0 HB THR A 79 -3.429 7.526 5.393 1.00 54.23 H new ATOM 0 HG1 THR A 79 -1.492 6.495 5.111 1.00 23.12 H new ATOM 0 HG21 THR A 79 -1.370 8.555 6.467 1.00 41.42 H new ATOM 0 HG22 THR A 79 -2.866 8.990 7.326 1.00 41.42 H new ATOM 0 HG23 THR A 79 -1.795 7.730 7.985 1.00 41.42 H new ATOM 1290 N VAL A 80 -5.877 8.208 6.816 1.00 4.33 N ATOM 1291 CA VAL A 80 -7.095 8.846 6.327 1.00 0.11 C ATOM 1292 C VAL A 80 -8.235 7.830 6.223 1.00 1.42 C ATOM 1293 O VAL A 80 -8.597 7.369 5.137 1.00 2.11 O ATOM 1294 CB VAL A 80 -6.822 9.520 4.974 1.00 64.51 C ATOM 1295 CG1 VAL A 80 -8.062 10.287 4.496 1.00 1.52 C ATOM 1296 CG2 VAL A 80 -5.619 10.479 4.990 1.00 54.12 C ATOM 0 H VAL A 80 -5.360 8.802 7.464 1.00 4.33 H new ATOM 0 HA VAL A 80 -7.405 9.613 7.037 1.00 0.11 H new ATOM 0 HB VAL A 80 -6.580 8.709 4.287 1.00 64.51 H new ATOM 0 HG11 VAL A 80 -7.851 10.758 3.536 1.00 1.52 H new ATOM 0 HG12 VAL A 80 -8.897 9.595 4.385 1.00 1.52 H new ATOM 0 HG13 VAL A 80 -8.320 11.053 5.227 1.00 1.52 H new ATOM 0 HG21 VAL A 80 -5.489 10.916 4.000 1.00 54.12 H new ATOM 0 HG22 VAL A 80 -5.796 11.272 5.717 1.00 54.12 H new ATOM 0 HG23 VAL A 80 -4.719 9.929 5.265 1.00 54.12 H new ATOM 1306 N GLY A 81 -8.835 7.495 7.354 1.00 12.11 N ATOM 1307 CA GLY A 81 -9.909 6.538 7.306 1.00 64.05 C ATOM 1308 C GLY A 81 -10.142 6.002 8.690 1.00 24.41 C ATOM 1309 O GLY A 81 -9.550 5.001 9.101 1.00 71.10 O ATOM 0 H GLY A 81 -8.604 7.859 8.278 1.00 12.11 H new ATOM 0 HA2 GLY A 81 -10.816 7.007 6.925 1.00 64.05 H new ATOM 0 HA3 GLY A 81 -9.660 5.725 6.623 1.00 64.05 H new ATOM 1313 N GLY A 82 -10.996 6.708 9.410 1.00 62.44 N ATOM 1314 CA GLY A 82 -11.385 6.412 10.768 1.00 20.41 C ATOM 1315 C GLY A 82 -11.983 7.693 11.270 1.00 75.11 C ATOM 1316 O GLY A 82 -11.277 8.400 12.016 1.00 11.10 O ATOM 0 H GLY A 82 -11.456 7.541 9.042 1.00 62.44 H new ATOM 0 HA2 GLY A 82 -12.105 5.595 10.806 1.00 20.41 H new ATOM 0 HA3 GLY A 82 -10.528 6.110 11.370 1.00 20.41 H new TER 1320 GLY A 82