USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 550 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 92 THR OG1 : rot -80:sc= 1.02 USER MOD Set 1.2: A 98 THR OG1 : rot 80:sc= 0.64 USER MOD Single : A 43 MET CE :methyl 163:sc= -0.0207 (180deg=-0.317) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.527 K(o=-0.53,f=-2.5) USER MOD Single : A 51 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.4) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.083 USER MOD Single : A 60 ASN : amide:sc=-0.00285 X(o=-0.0029,f=-0.14) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0636 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 69 MET CE :methyl -112:sc= -0.244 (180deg=-0.717) USER MOD Single : A 72 THR OG1 : rot 82:sc= 0.765 USER MOD Single : A 74 GLN : amide:sc= 0.315 K(o=0.32,f=-0.5) USER MOD Single : A 75 ASN : amide:sc= 0.0406 X(o=0.041,f=-0.029) USER MOD Single : A 79 ASN : amide:sc= -0.718 K(o=-0.72,f=-0.0026) USER MOD Single : A 81 HIS : no HD1:sc= -1.01 K(o=-1,f=-7.3!) USER MOD Single : A 84 GLN : amide:sc= 0.693 K(o=0.69,f=-5.4!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -146:sc= 1.09 USER MOD Single : A 91 ASN : amide:sc= 1.19 K(o=1.2,f=-0.014) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -15.990 18.378 -12.290 1.00 50.34 N ATOM 2 CA GLY A 41 -15.431 17.541 -11.226 1.00 5.35 C ATOM 3 C GLY A 41 -14.785 16.301 -11.818 1.00 22.42 C ATOM 4 O GLY A 41 -14.486 16.255 -13.016 1.00 70.14 O ATOM 0 HA2 GLY A 41 -14.694 18.108 -10.657 1.00 5.35 H new ATOM 0 HA3 GLY A 41 -16.218 17.252 -10.529 1.00 5.35 H new ATOM 8 N ALA A 42 -14.535 15.297 -10.974 1.00 1.41 N ATOM 9 CA ALA A 42 -13.949 14.037 -11.404 1.00 62.51 C ATOM 10 C ALA A 42 -14.982 13.291 -12.255 1.00 45.32 C ATOM 11 O ALA A 42 -16.192 13.488 -12.072 1.00 23.33 O ATOM 12 CB ALA A 42 -13.554 13.185 -10.196 1.00 34.32 C ATOM 0 H ALA A 42 -14.735 15.340 -9.975 1.00 1.41 H new ATOM 0 HA ALA A 42 -13.049 14.232 -11.986 1.00 62.51 H new ATOM 0 HB1 ALA A 42 -13.118 12.247 -10.539 1.00 34.32 H new ATOM 0 HB2 ALA A 42 -12.824 13.725 -9.593 1.00 34.32 H new ATOM 0 HB3 ALA A 42 -14.438 12.975 -9.594 1.00 34.32 H new ATOM 18 N MET A 43 -14.524 12.406 -13.135 1.00 15.14 N ATOM 19 CA MET A 43 -15.376 11.626 -14.027 1.00 43.44 C ATOM 20 C MET A 43 -15.090 10.131 -13.900 1.00 12.42 C ATOM 21 O MET A 43 -14.142 9.732 -13.219 1.00 45.22 O ATOM 22 CB MET A 43 -15.148 12.121 -15.467 1.00 43.25 C ATOM 23 CG MET A 43 -13.767 11.711 -16.007 1.00 15.41 C ATOM 24 SD MET A 43 -13.174 12.604 -17.465 1.00 43.55 S ATOM 25 CE MET A 43 -12.916 14.239 -16.731 1.00 42.45 C ATOM 0 H MET A 43 -13.530 12.207 -13.250 1.00 15.14 H new ATOM 0 HA MET A 43 -16.422 11.766 -13.753 1.00 43.44 H new ATOM 0 HB2 MET A 43 -15.925 11.718 -16.116 1.00 43.25 H new ATOM 0 HB3 MET A 43 -15.241 13.207 -15.496 1.00 43.25 H new ATOM 0 HG2 MET A 43 -13.036 11.838 -15.208 1.00 15.41 H new ATOM 0 HG3 MET A 43 -13.796 10.648 -16.246 1.00 15.41 H new ATOM 0 HE1 MET A 43 -12.279 14.835 -17.384 1.00 42.45 H new ATOM 0 HE2 MET A 43 -13.877 14.738 -16.608 1.00 42.45 H new ATOM 0 HE3 MET A 43 -12.437 14.130 -15.758 1.00 42.45 H new ATOM 35 N GLY A 44 -15.902 9.301 -14.558 1.00 1.50 N ATOM 36 CA GLY A 44 -15.730 7.854 -14.561 1.00 64.34 C ATOM 37 C GLY A 44 -14.756 7.468 -15.684 1.00 31.12 C ATOM 38 O GLY A 44 -14.530 8.272 -16.597 1.00 1.45 O ATOM 0 H GLY A 44 -16.701 9.620 -15.106 1.00 1.50 H new ATOM 0 HA2 GLY A 44 -15.346 7.519 -13.598 1.00 64.34 H new ATOM 0 HA3 GLY A 44 -16.691 7.361 -14.710 1.00 64.34 H new ATOM 42 N PRO A 45 -14.211 6.241 -15.677 1.00 44.11 N ATOM 43 CA PRO A 45 -13.265 5.798 -16.693 1.00 43.23 C ATOM 44 C PRO A 45 -13.925 5.659 -18.067 1.00 33.42 C ATOM 45 O PRO A 45 -15.155 5.614 -18.207 1.00 61.21 O ATOM 46 CB PRO A 45 -12.698 4.471 -16.176 1.00 53.34 C ATOM 47 CG PRO A 45 -13.824 3.934 -15.297 1.00 12.42 C ATOM 48 CD PRO A 45 -14.410 5.205 -14.679 1.00 3.15 C ATOM 0 HA PRO A 45 -12.470 6.528 -16.846 1.00 43.23 H new ATOM 0 HB2 PRO A 45 -12.463 3.788 -16.992 1.00 53.34 H new ATOM 0 HB3 PRO A 45 -11.779 4.619 -15.609 1.00 53.34 H new ATOM 0 HG2 PRO A 45 -14.566 3.389 -15.880 1.00 12.42 H new ATOM 0 HG3 PRO A 45 -13.451 3.249 -14.535 1.00 12.42 H new ATOM 0 HD2 PRO A 45 -15.468 5.079 -14.448 1.00 3.15 H new ATOM 0 HD3 PRO A 45 -13.908 5.456 -13.745 1.00 3.15 H new ATOM 56 N GLN A 46 -13.094 5.561 -19.102 1.00 62.42 N ATOM 57 CA GLN A 46 -13.511 5.425 -20.494 1.00 51.31 C ATOM 58 C GLN A 46 -13.153 4.038 -21.038 1.00 43.03 C ATOM 59 O GLN A 46 -13.592 3.682 -22.135 1.00 34.10 O ATOM 60 CB GLN A 46 -12.950 6.586 -21.332 1.00 51.44 C ATOM 61 CG GLN A 46 -13.416 7.937 -20.754 1.00 53.20 C ATOM 62 CD GLN A 46 -12.905 9.171 -21.487 1.00 2.41 C ATOM 63 OE1 GLN A 46 -12.042 9.111 -22.368 1.00 41.21 O ATOM 64 NE2 GLN A 46 -13.407 10.332 -21.100 1.00 41.33 N ATOM 0 H GLN A 46 -12.080 5.575 -18.991 1.00 62.42 H new ATOM 0 HA GLN A 46 -14.597 5.495 -20.560 1.00 51.31 H new ATOM 0 HB2 GLN A 46 -11.861 6.543 -21.342 1.00 51.44 H new ATOM 0 HB3 GLN A 46 -13.282 6.491 -22.366 1.00 51.44 H new ATOM 0 HG2 GLN A 46 -14.506 7.958 -20.757 1.00 53.20 H new ATOM 0 HG3 GLN A 46 -13.099 7.996 -19.713 1.00 53.20 H new ATOM 0 HE21 GLN A 46 -14.119 10.362 -20.371 1.00 41.33 H new ATOM 0 HE22 GLN A 46 -13.082 11.197 -21.531 1.00 41.33 H new ATOM 73 N GLY A 47 -12.452 3.212 -20.264 1.00 55.34 N ATOM 74 CA GLY A 47 -12.065 1.869 -20.638 1.00 24.45 C ATOM 75 C GLY A 47 -10.749 1.486 -19.980 1.00 60.24 C ATOM 76 O GLY A 47 -10.070 2.332 -19.394 1.00 14.31 O ATOM 0 H GLY A 47 -12.132 3.475 -19.332 1.00 55.34 H new ATOM 0 HA2 GLY A 47 -12.843 1.165 -20.343 1.00 24.45 H new ATOM 0 HA3 GLY A 47 -11.969 1.801 -21.722 1.00 24.45 H new ATOM 80 N SER A 48 -10.383 0.218 -20.123 1.00 33.44 N ATOM 81 CA SER A 48 -9.167 -0.367 -19.578 1.00 52.23 C ATOM 82 C SER A 48 -8.390 -1.125 -20.652 1.00 75.43 C ATOM 83 O SER A 48 -7.859 -2.207 -20.399 1.00 72.24 O ATOM 84 CB SER A 48 -9.505 -1.217 -18.348 1.00 3.34 C ATOM 85 OG SER A 48 -10.031 -0.393 -17.326 1.00 25.24 O ATOM 0 H SER A 48 -10.947 -0.455 -20.642 1.00 33.44 H new ATOM 0 HA SER A 48 -8.499 0.426 -19.242 1.00 52.23 H new ATOM 0 HB2 SER A 48 -10.228 -1.988 -18.615 1.00 3.34 H new ATOM 0 HB3 SER A 48 -8.611 -1.729 -17.991 1.00 3.34 H new ATOM 0 HG SER A 48 -10.247 -0.941 -16.543 1.00 25.24 H new ATOM 91 N THR A 49 -8.426 -0.641 -21.895 1.00 70.11 N ATOM 92 CA THR A 49 -7.662 -1.282 -22.952 1.00 3.23 C ATOM 93 C THR A 49 -6.192 -0.959 -22.604 1.00 30.54 C ATOM 94 O THR A 49 -5.914 0.128 -22.082 1.00 42.15 O ATOM 95 CB THR A 49 -8.159 -0.778 -24.318 1.00 3.04 C ATOM 96 OG1 THR A 49 -7.974 -1.782 -25.296 1.00 54.43 O ATOM 97 CG2 THR A 49 -7.503 0.521 -24.778 1.00 20.24 C ATOM 0 H THR A 49 -8.965 0.175 -22.185 1.00 70.11 H new ATOM 0 HA THR A 49 -7.776 -2.364 -23.024 1.00 3.23 H new ATOM 0 HB THR A 49 -9.218 -0.554 -24.192 1.00 3.04 H new ATOM 0 HG1 THR A 49 -8.294 -1.457 -26.163 1.00 54.43 H new ATOM 0 HG21 THR A 49 -7.907 0.809 -25.748 1.00 20.24 H new ATOM 0 HG22 THR A 49 -7.706 1.308 -24.052 1.00 20.24 H new ATOM 0 HG23 THR A 49 -6.426 0.375 -24.862 1.00 20.24 H new ATOM 105 N GLN A 50 -5.255 -1.861 -22.885 1.00 22.03 N ATOM 106 CA GLN A 50 -3.849 -1.650 -22.561 1.00 44.41 C ATOM 107 C GLN A 50 -2.924 -2.322 -23.550 1.00 60.33 C ATOM 108 O GLN A 50 -3.367 -3.133 -24.364 1.00 54.00 O ATOM 109 CB GLN A 50 -3.571 -2.210 -21.157 1.00 24.53 C ATOM 110 CG GLN A 50 -4.018 -3.659 -20.887 1.00 64.13 C ATOM 111 CD GLN A 50 -3.195 -4.807 -21.475 1.00 74.44 C ATOM 112 OE1 GLN A 50 -2.104 -4.685 -22.030 1.00 52.11 O ATOM 113 NE2 GLN A 50 -3.743 -5.999 -21.340 1.00 23.05 N ATOM 0 H GLN A 50 -5.448 -2.753 -23.341 1.00 22.03 H new ATOM 0 HA GLN A 50 -3.656 -0.578 -22.603 1.00 44.41 H new ATOM 0 HB2 GLN A 50 -2.499 -2.145 -20.971 1.00 24.53 H new ATOM 0 HB3 GLN A 50 -4.060 -1.562 -20.430 1.00 24.53 H new ATOM 0 HG2 GLN A 50 -4.052 -3.798 -19.806 1.00 64.13 H new ATOM 0 HG3 GLN A 50 -5.039 -3.763 -21.254 1.00 64.13 H new ATOM 0 HE21 GLN A 50 -4.648 -6.095 -20.879 1.00 23.05 H new ATOM 0 HE22 GLN A 50 -3.262 -6.825 -21.697 1.00 23.05 H new ATOM 122 N ASN A 51 -1.643 -1.982 -23.455 1.00 63.25 N ATOM 123 CA ASN A 51 -0.558 -2.514 -24.268 1.00 53.33 C ATOM 124 C ASN A 51 0.746 -2.608 -23.465 1.00 41.32 C ATOM 125 O ASN A 51 1.670 -3.288 -23.913 1.00 63.21 O ATOM 126 CB ASN A 51 -0.359 -1.692 -25.549 1.00 45.51 C ATOM 127 CG ASN A 51 -0.064 -0.218 -25.285 1.00 24.51 C ATOM 128 OD1 ASN A 51 0.899 0.140 -24.607 1.00 53.50 O ATOM 129 ND2 ASN A 51 -0.897 0.668 -25.795 1.00 71.31 N ATOM 0 H ASN A 51 -1.319 -1.294 -22.775 1.00 63.25 H new ATOM 0 HA ASN A 51 -0.840 -3.524 -24.565 1.00 53.33 H new ATOM 0 HB2 ASN A 51 0.462 -2.122 -26.123 1.00 45.51 H new ATOM 0 HB3 ASN A 51 -1.255 -1.771 -26.165 1.00 45.51 H new ATOM 0 HD21 ASN A 51 -0.747 1.663 -25.629 1.00 71.31 H new ATOM 0 HD22 ASN A 51 -1.691 0.358 -26.355 1.00 71.31 H new ATOM 136 N ALA A 52 0.849 -1.981 -22.286 1.00 4.41 N ATOM 137 CA ALA A 52 2.035 -1.986 -21.438 1.00 73.24 C ATOM 138 C ALA A 52 1.896 -3.001 -20.307 1.00 52.15 C ATOM 139 O ALA A 52 1.626 -2.630 -19.162 1.00 13.34 O ATOM 140 CB ALA A 52 2.228 -0.590 -20.855 1.00 61.24 C ATOM 0 H ALA A 52 0.081 -1.440 -21.889 1.00 4.41 H new ATOM 0 HA ALA A 52 2.899 -2.268 -22.040 1.00 73.24 H new ATOM 0 HB1 ALA A 52 3.113 -0.581 -20.218 1.00 61.24 H new ATOM 0 HB2 ALA A 52 2.356 0.128 -21.665 1.00 61.24 H new ATOM 0 HB3 ALA A 52 1.353 -0.318 -20.264 1.00 61.24 H new ATOM 146 N LEU A 53 2.111 -4.282 -20.592 1.00 72.44 N ATOM 147 CA LEU A 53 1.987 -5.306 -19.568 1.00 4.12 C ATOM 148 C LEU A 53 3.328 -5.587 -18.911 1.00 20.24 C ATOM 149 O LEU A 53 4.207 -6.214 -19.498 1.00 73.34 O ATOM 150 CB LEU A 53 1.291 -6.570 -20.095 1.00 70.44 C ATOM 151 CG LEU A 53 0.378 -7.108 -18.981 1.00 35.30 C ATOM 152 CD1 LEU A 53 -0.898 -6.274 -18.879 1.00 54.14 C ATOM 153 CD2 LEU A 53 0.027 -8.575 -19.187 1.00 51.22 C ATOM 0 H LEU A 53 2.369 -4.630 -21.515 1.00 72.44 H new ATOM 0 HA LEU A 53 1.333 -4.921 -18.786 1.00 4.12 H new ATOM 0 HB2 LEU A 53 0.709 -6.341 -20.988 1.00 70.44 H new ATOM 0 HB3 LEU A 53 2.028 -7.321 -20.380 1.00 70.44 H new ATOM 0 HG LEU A 53 0.934 -7.028 -18.047 1.00 35.30 H new ATOM 0 HD11 LEU A 53 -1.530 -6.672 -18.085 1.00 54.14 H new ATOM 0 HD12 LEU A 53 -0.639 -5.239 -18.653 1.00 54.14 H new ATOM 0 HD13 LEU A 53 -1.436 -6.315 -19.826 1.00 54.14 H new ATOM 0 HD21 LEU A 53 -0.619 -8.912 -18.376 1.00 51.22 H new ATOM 0 HD22 LEU A 53 -0.492 -8.695 -20.138 1.00 51.22 H new ATOM 0 HD23 LEU A 53 0.940 -9.170 -19.194 1.00 51.22 H new ATOM 165 N ARG A 54 3.482 -5.100 -17.675 1.00 63.31 N ATOM 166 CA ARG A 54 4.672 -5.252 -16.834 1.00 3.24 C ATOM 167 C ARG A 54 5.960 -4.866 -17.582 1.00 13.42 C ATOM 168 O ARG A 54 7.012 -5.472 -17.383 1.00 65.13 O ATOM 169 CB ARG A 54 4.703 -6.676 -16.235 1.00 5.30 C ATOM 170 CG ARG A 54 3.632 -6.973 -15.170 1.00 43.35 C ATOM 171 CD ARG A 54 2.252 -7.261 -15.768 1.00 74.23 C ATOM 172 NE ARG A 54 1.312 -7.800 -14.777 1.00 24.50 N ATOM 173 CZ ARG A 54 1.102 -9.083 -14.473 1.00 52.13 C ATOM 174 NH1 ARG A 54 1.853 -10.036 -15.019 1.00 63.14 N ATOM 175 NH2 ARG A 54 0.138 -9.391 -13.616 1.00 72.53 N ATOM 0 H ARG A 54 2.746 -4.565 -17.214 1.00 63.31 H new ATOM 0 HA ARG A 54 4.616 -4.550 -16.002 1.00 3.24 H new ATOM 0 HB2 ARG A 54 4.592 -7.395 -17.047 1.00 5.30 H new ATOM 0 HB3 ARG A 54 5.685 -6.844 -15.793 1.00 5.30 H new ATOM 0 HG2 ARG A 54 3.949 -7.829 -14.574 1.00 43.35 H new ATOM 0 HG3 ARG A 54 3.557 -6.123 -14.492 1.00 43.35 H new ATOM 0 HD2 ARG A 54 1.843 -6.343 -16.190 1.00 74.23 H new ATOM 0 HD3 ARG A 54 2.356 -7.970 -16.589 1.00 74.23 H new ATOM 0 HE ARG A 54 0.756 -7.117 -14.262 1.00 24.50 H new ATOM 0 HH11 ARG A 54 2.595 -9.788 -15.674 1.00 63.14 H new ATOM 0 HH12 ARG A 54 1.687 -11.014 -14.782 1.00 63.14 H new ATOM 0 HH21 ARG A 54 -0.430 -8.653 -13.200 1.00 72.53 H new ATOM 0 HH22 ARG A 54 -0.036 -10.366 -13.373 1.00 72.53 H new ATOM 189 N ARG A 55 5.876 -3.848 -18.446 1.00 55.53 N ATOM 190 CA ARG A 55 6.996 -3.339 -19.239 1.00 31.22 C ATOM 191 C ARG A 55 8.152 -2.888 -18.347 1.00 73.43 C ATOM 192 O ARG A 55 8.004 -2.747 -17.127 1.00 4.13 O ATOM 193 CB ARG A 55 6.519 -2.182 -20.143 1.00 5.25 C ATOM 194 CG ARG A 55 6.006 -0.954 -19.363 1.00 23.45 C ATOM 195 CD ARG A 55 5.588 0.190 -20.294 1.00 72.53 C ATOM 196 NE ARG A 55 6.732 0.982 -20.774 1.00 21.11 N ATOM 197 CZ ARG A 55 6.914 1.466 -22.008 1.00 21.31 C ATOM 198 NH1 ARG A 55 6.127 1.086 -23.008 1.00 52.13 N ATOM 199 NH2 ARG A 55 7.890 2.340 -22.228 1.00 74.44 N ATOM 0 H ARG A 55 5.005 -3.344 -18.616 1.00 55.53 H new ATOM 0 HA ARG A 55 7.366 -4.150 -19.867 1.00 31.22 H new ATOM 0 HB2 ARG A 55 7.342 -1.874 -20.787 1.00 5.25 H new ATOM 0 HB3 ARG A 55 5.724 -2.546 -20.794 1.00 5.25 H new ATOM 0 HG2 ARG A 55 5.157 -1.247 -18.746 1.00 23.45 H new ATOM 0 HG3 ARG A 55 6.786 -0.603 -18.687 1.00 23.45 H new ATOM 0 HD2 ARG A 55 5.052 -0.221 -21.150 1.00 72.53 H new ATOM 0 HD3 ARG A 55 4.894 0.845 -19.768 1.00 72.53 H new ATOM 0 HE ARG A 55 7.464 1.183 -20.093 1.00 21.11 H new ATOM 0 HH11 ARG A 55 5.374 0.419 -22.839 1.00 52.13 H new ATOM 0 HH12 ARG A 55 6.275 1.462 -23.945 1.00 52.13 H new ATOM 0 HH21 ARG A 55 8.492 2.636 -21.460 1.00 74.44 H new ATOM 0 HH22 ARG A 55 8.037 2.715 -23.165 1.00 74.44 H new ATOM 213 N THR A 56 9.310 -2.655 -18.951 1.00 75.34 N ATOM 214 CA THR A 56 10.488 -2.192 -18.242 1.00 21.14 C ATOM 215 C THR A 56 10.271 -0.698 -17.927 1.00 22.42 C ATOM 216 O THR A 56 9.788 0.067 -18.776 1.00 74.25 O ATOM 217 CB THR A 56 11.729 -2.516 -19.096 1.00 22.04 C ATOM 218 OG1 THR A 56 11.487 -2.369 -20.482 1.00 3.44 O ATOM 219 CG2 THR A 56 12.175 -3.966 -18.877 1.00 53.25 C ATOM 0 H THR A 56 9.456 -2.784 -19.952 1.00 75.34 H new ATOM 0 HA THR A 56 10.656 -2.692 -17.288 1.00 21.14 H new ATOM 0 HB THR A 56 12.496 -1.809 -18.780 1.00 22.04 H new ATOM 0 HG1 THR A 56 12.303 -2.583 -20.981 1.00 3.44 H new ATOM 0 HG21 THR A 56 13.052 -4.173 -19.490 1.00 53.25 H new ATOM 0 HG22 THR A 56 12.422 -4.116 -17.826 1.00 53.25 H new ATOM 0 HG23 THR A 56 11.368 -4.642 -19.159 1.00 53.25 H new ATOM 227 N GLY A 57 10.581 -0.284 -16.700 1.00 40.30 N ATOM 228 CA GLY A 57 10.437 1.077 -16.199 1.00 12.20 C ATOM 229 C GLY A 57 11.578 1.414 -15.246 1.00 14.51 C ATOM 230 O GLY A 57 12.658 0.818 -15.338 1.00 1.15 O ATOM 0 H GLY A 57 10.957 -0.920 -15.997 1.00 40.30 H new ATOM 0 HA2 GLY A 57 10.431 1.780 -17.032 1.00 12.20 H new ATOM 0 HA3 GLY A 57 9.482 1.183 -15.685 1.00 12.20 H new ATOM 234 N ARG A 58 11.389 2.428 -14.392 1.00 43.11 N ATOM 235 CA ARG A 58 12.402 2.855 -13.427 1.00 32.44 C ATOM 236 C ARG A 58 12.484 1.838 -12.290 1.00 10.04 C ATOM 237 O ARG A 58 11.997 2.079 -11.182 1.00 15.31 O ATOM 238 CB ARG A 58 12.109 4.273 -12.903 1.00 60.33 C ATOM 239 CG ARG A 58 12.574 5.399 -13.834 1.00 10.14 C ATOM 240 CD ARG A 58 11.876 5.417 -15.202 1.00 72.13 C ATOM 241 NE ARG A 58 11.927 6.750 -15.819 1.00 62.21 N ATOM 242 CZ ARG A 58 13.020 7.382 -16.264 1.00 23.44 C ATOM 243 NH1 ARG A 58 14.186 6.757 -16.348 1.00 61.44 N ATOM 244 NH2 ARG A 58 12.926 8.654 -16.618 1.00 65.33 N ATOM 0 H ARG A 58 10.528 2.974 -14.353 1.00 43.11 H new ATOM 0 HA ARG A 58 13.371 2.898 -13.924 1.00 32.44 H new ATOM 0 HB2 ARG A 58 11.036 4.373 -12.740 1.00 60.33 H new ATOM 0 HB3 ARG A 58 12.592 4.396 -11.934 1.00 60.33 H new ATOM 0 HG2 ARG A 58 12.405 6.356 -13.340 1.00 10.14 H new ATOM 0 HG3 ARG A 58 13.649 5.306 -13.989 1.00 10.14 H new ATOM 0 HD2 ARG A 58 12.351 4.691 -15.863 1.00 72.13 H new ATOM 0 HD3 ARG A 58 10.837 5.109 -15.085 1.00 72.13 H new ATOM 0 HE ARG A 58 11.040 7.243 -15.918 1.00 62.21 H new ATOM 0 HH11 ARG A 58 14.261 5.778 -16.071 1.00 61.44 H new ATOM 0 HH12 ARG A 58 15.008 7.255 -16.690 1.00 61.44 H new ATOM 0 HH21 ARG A 58 12.031 9.138 -16.550 1.00 65.33 H new ATOM 0 HH22 ARG A 58 13.749 9.151 -16.959 1.00 65.33 H new ATOM 258 N VAL A 59 13.101 0.694 -12.572 1.00 51.30 N ATOM 259 CA VAL A 59 13.287 -0.372 -11.604 1.00 13.41 C ATOM 260 C VAL A 59 14.072 0.221 -10.425 1.00 23.52 C ATOM 261 O VAL A 59 14.901 1.113 -10.618 1.00 20.13 O ATOM 262 CB VAL A 59 13.960 -1.581 -12.287 1.00 61.22 C ATOM 263 CG1 VAL A 59 15.332 -1.267 -12.907 1.00 41.14 C ATOM 264 CG2 VAL A 59 14.082 -2.758 -11.314 1.00 20.44 C ATOM 0 H VAL A 59 13.489 0.483 -13.491 1.00 51.30 H new ATOM 0 HA VAL A 59 12.346 -0.759 -11.212 1.00 13.41 H new ATOM 0 HB VAL A 59 13.303 -1.850 -13.114 1.00 61.22 H new ATOM 0 HG11 VAL A 59 15.738 -2.168 -13.367 1.00 41.14 H new ATOM 0 HG12 VAL A 59 15.220 -0.492 -13.665 1.00 41.14 H new ATOM 0 HG13 VAL A 59 16.012 -0.919 -12.129 1.00 41.14 H new ATOM 0 HG21 VAL A 59 14.559 -3.599 -11.818 1.00 20.44 H new ATOM 0 HG22 VAL A 59 14.684 -2.460 -10.456 1.00 20.44 H new ATOM 0 HG23 VAL A 59 13.089 -3.054 -10.975 1.00 20.44 H new ATOM 274 N ASN A 60 13.798 -0.247 -9.204 1.00 72.12 N ATOM 275 CA ASN A 60 14.428 0.206 -7.958 1.00 21.31 C ATOM 276 C ASN A 60 14.212 1.691 -7.654 1.00 1.21 C ATOM 277 O ASN A 60 14.739 2.176 -6.654 1.00 3.43 O ATOM 278 CB ASN A 60 15.911 -0.201 -7.868 1.00 32.44 C ATOM 279 CG ASN A 60 16.099 -1.696 -8.037 1.00 5.42 C ATOM 280 OD1 ASN A 60 16.778 -2.154 -8.949 1.00 51.31 O ATOM 281 ND2 ASN A 60 15.484 -2.502 -7.197 1.00 53.22 N ATOM 0 H ASN A 60 13.105 -0.979 -9.049 1.00 72.12 H new ATOM 0 HA ASN A 60 13.902 -0.326 -7.165 1.00 21.31 H new ATOM 0 HB2 ASN A 60 16.479 0.325 -8.635 1.00 32.44 H new ATOM 0 HB3 ASN A 60 16.315 0.109 -6.904 1.00 32.44 H new ATOM 0 HD21 ASN A 60 15.571 -3.513 -7.303 1.00 53.22 H new ATOM 0 HD22 ASN A 60 14.920 -2.116 -6.440 1.00 53.22 H new ATOM 288 N GLY A 61 13.394 2.409 -8.430 1.00 0.11 N ATOM 289 CA GLY A 61 13.087 3.822 -8.240 1.00 31.02 C ATOM 290 C GLY A 61 12.037 4.029 -7.143 1.00 52.43 C ATOM 291 O GLY A 61 11.177 4.907 -7.245 1.00 53.12 O ATOM 0 H GLY A 61 12.913 2.005 -9.234 1.00 0.11 H new ATOM 0 HA2 GLY A 61 13.998 4.361 -7.979 1.00 31.02 H new ATOM 0 HA3 GLY A 61 12.724 4.245 -9.177 1.00 31.02 H new ATOM 295 N GLY A 62 12.055 3.167 -6.132 1.00 73.30 N ATOM 296 CA GLY A 62 11.180 3.137 -4.984 1.00 30.43 C ATOM 297 C GLY A 62 11.983 2.577 -3.823 1.00 4.13 C ATOM 298 O GLY A 62 13.152 2.931 -3.657 1.00 44.22 O ATOM 0 H GLY A 62 12.741 2.413 -6.100 1.00 73.30 H new ATOM 0 HA2 GLY A 62 10.815 4.137 -4.752 1.00 30.43 H new ATOM 0 HA3 GLY A 62 10.306 2.517 -5.182 1.00 30.43 H new ATOM 302 N HIS A 63 11.375 1.706 -3.037 1.00 33.22 N ATOM 303 CA HIS A 63 11.967 1.048 -1.888 1.00 23.31 C ATOM 304 C HIS A 63 11.704 -0.453 -2.035 1.00 42.34 C ATOM 305 O HIS A 63 10.690 -0.826 -2.632 1.00 23.44 O ATOM 306 CB HIS A 63 11.362 1.645 -0.612 1.00 21.53 C ATOM 307 CG HIS A 63 11.832 3.060 -0.399 1.00 42.42 C ATOM 308 ND1 HIS A 63 13.143 3.438 -0.211 1.00 31.11 N ATOM 309 CD2 HIS A 63 11.078 4.199 -0.501 1.00 50.52 C ATOM 310 CE1 HIS A 63 13.180 4.776 -0.222 1.00 11.15 C ATOM 311 NE2 HIS A 63 11.944 5.294 -0.366 1.00 4.55 N ATOM 0 H HIS A 63 10.407 1.425 -3.192 1.00 33.22 H new ATOM 0 HA HIS A 63 13.045 1.200 -1.826 1.00 23.31 H new ATOM 0 HB2 HIS A 63 10.274 1.626 -0.678 1.00 21.53 H new ATOM 0 HB3 HIS A 63 11.640 1.033 0.246 1.00 21.53 H new ATOM 0 HD2 HIS A 63 10.010 4.245 -0.657 1.00 50.52 H new ATOM 0 HE1 HIS A 63 14.082 5.363 -0.128 1.00 11.15 H new ATOM 0 HE2 HIS A 63 11.690 6.282 -0.375 1.00 4.55 H new ATOM 319 N PRO A 64 12.596 -1.323 -1.538 1.00 4.41 N ATOM 320 CA PRO A 64 12.416 -2.760 -1.636 1.00 41.23 C ATOM 321 C PRO A 64 11.287 -3.173 -0.696 1.00 0.21 C ATOM 322 O PRO A 64 11.343 -2.880 0.501 1.00 34.01 O ATOM 323 CB PRO A 64 13.760 -3.364 -1.218 1.00 3.30 C ATOM 324 CG PRO A 64 14.385 -2.310 -0.302 1.00 25.44 C ATOM 325 CD PRO A 64 13.821 -0.994 -0.826 1.00 42.33 C ATOM 0 HA PRO A 64 12.143 -3.099 -2.635 1.00 41.23 H new ATOM 0 HB2 PRO A 64 13.624 -4.312 -0.698 1.00 3.30 H new ATOM 0 HB3 PRO A 64 14.392 -3.563 -2.083 1.00 3.30 H new ATOM 0 HG2 PRO A 64 14.114 -2.475 0.741 1.00 25.44 H new ATOM 0 HG3 PRO A 64 15.474 -2.328 -0.355 1.00 25.44 H new ATOM 0 HD2 PRO A 64 13.620 -0.305 -0.006 1.00 42.33 H new ATOM 0 HD3 PRO A 64 14.534 -0.503 -1.488 1.00 42.33 H new ATOM 333 N VAL A 65 10.284 -3.882 -1.211 1.00 2.42 N ATOM 334 CA VAL A 65 9.154 -4.341 -0.404 1.00 4.44 C ATOM 335 C VAL A 65 8.969 -5.841 -0.570 1.00 1.43 C ATOM 336 O VAL A 65 9.338 -6.434 -1.593 1.00 63.15 O ATOM 337 CB VAL A 65 7.859 -3.549 -0.681 1.00 20.42 C ATOM 338 CG1 VAL A 65 8.076 -2.040 -0.591 1.00 34.24 C ATOM 339 CG2 VAL A 65 7.230 -3.867 -2.039 1.00 61.12 C ATOM 0 H VAL A 65 10.231 -4.153 -2.193 1.00 2.42 H new ATOM 0 HA VAL A 65 9.388 -4.143 0.642 1.00 4.44 H new ATOM 0 HB VAL A 65 7.172 -3.871 0.101 1.00 20.42 H new ATOM 0 HG11 VAL A 65 7.137 -1.525 -0.793 1.00 34.24 H new ATOM 0 HG12 VAL A 65 8.424 -1.781 0.409 1.00 34.24 H new ATOM 0 HG13 VAL A 65 8.823 -1.735 -1.325 1.00 34.24 H new ATOM 0 HG21 VAL A 65 6.324 -3.275 -2.168 1.00 61.12 H new ATOM 0 HG22 VAL A 65 7.937 -3.625 -2.833 1.00 61.12 H new ATOM 0 HG23 VAL A 65 6.981 -4.927 -2.085 1.00 61.12 H new ATOM 349 N THR A 66 8.313 -6.435 0.413 1.00 62.25 N ATOM 350 CA THR A 66 8.019 -7.849 0.507 1.00 44.21 C ATOM 351 C THR A 66 6.514 -8.058 0.668 1.00 61.32 C ATOM 352 O THR A 66 5.776 -7.136 1.029 1.00 35.22 O ATOM 353 CB THR A 66 8.815 -8.398 1.703 1.00 53.14 C ATOM 354 OG1 THR A 66 8.778 -7.475 2.776 1.00 71.52 O ATOM 355 CG2 THR A 66 10.278 -8.660 1.336 1.00 41.52 C ATOM 0 H THR A 66 7.952 -5.911 1.210 1.00 62.25 H new ATOM 0 HA THR A 66 8.311 -8.383 -0.397 1.00 44.21 H new ATOM 0 HB THR A 66 8.352 -9.340 1.995 1.00 53.14 H new ATOM 0 HG1 THR A 66 9.286 -7.834 3.534 1.00 71.52 H new ATOM 0 HG21 THR A 66 10.808 -9.047 2.206 1.00 41.52 H new ATOM 0 HG22 THR A 66 10.325 -9.390 0.528 1.00 41.52 H new ATOM 0 HG23 THR A 66 10.744 -7.730 1.012 1.00 41.52 H new ATOM 363 N THR A 67 6.057 -9.288 0.449 1.00 65.22 N ATOM 364 CA THR A 67 4.667 -9.716 0.552 1.00 63.32 C ATOM 365 C THR A 67 4.076 -9.374 1.927 1.00 25.03 C ATOM 366 O THR A 67 2.916 -8.978 2.018 1.00 53.24 O ATOM 367 CB THR A 67 4.670 -11.226 0.272 1.00 15.10 C ATOM 368 OG1 THR A 67 5.144 -11.412 -1.050 1.00 32.50 O ATOM 369 CG2 THR A 67 3.289 -11.867 0.387 1.00 42.20 C ATOM 0 H THR A 67 6.679 -10.051 0.181 1.00 65.22 H new ATOM 0 HA THR A 67 4.031 -9.196 -0.164 1.00 63.32 H new ATOM 0 HB THR A 67 5.303 -11.704 1.020 1.00 15.10 H new ATOM 0 HG1 THR A 67 5.160 -12.369 -1.260 1.00 32.50 H new ATOM 0 HG21 THR A 67 3.364 -12.934 0.177 1.00 42.20 H new ATOM 0 HG22 THR A 67 2.904 -11.722 1.396 1.00 42.20 H new ATOM 0 HG23 THR A 67 2.612 -11.403 -0.330 1.00 42.20 H new ATOM 377 N GLN A 68 4.879 -9.497 2.989 1.00 55.42 N ATOM 378 CA GLN A 68 4.477 -9.205 4.363 1.00 53.52 C ATOM 379 C GLN A 68 4.020 -7.752 4.513 1.00 43.31 C ATOM 380 O GLN A 68 3.079 -7.465 5.240 1.00 44.35 O ATOM 381 CB GLN A 68 5.628 -9.575 5.310 1.00 20.12 C ATOM 382 CG GLN A 68 6.871 -8.672 5.202 1.00 65.12 C ATOM 383 CD GLN A 68 8.188 -9.419 5.429 1.00 20.51 C ATOM 384 OE1 GLN A 68 8.906 -9.218 6.403 1.00 14.13 O ATOM 385 NE2 GLN A 68 8.538 -10.338 4.542 1.00 32.12 N ATOM 0 H GLN A 68 5.847 -9.809 2.912 1.00 55.42 H new ATOM 0 HA GLN A 68 3.612 -9.811 4.632 1.00 53.52 H new ATOM 0 HB2 GLN A 68 5.261 -9.542 6.336 1.00 20.12 H new ATOM 0 HB3 GLN A 68 5.926 -10.604 5.111 1.00 20.12 H new ATOM 0 HG2 GLN A 68 6.890 -8.209 4.215 1.00 65.12 H new ATOM 0 HG3 GLN A 68 6.789 -7.866 5.931 1.00 65.12 H new ATOM 0 HE21 GLN A 68 7.948 -10.513 3.729 1.00 32.12 H new ATOM 0 HE22 GLN A 68 9.398 -10.871 4.672 1.00 32.12 H new ATOM 394 N MET A 69 4.648 -6.817 3.800 1.00 2.45 N ATOM 395 CA MET A 69 4.236 -5.428 3.898 1.00 54.23 C ATOM 396 C MET A 69 2.840 -5.277 3.270 1.00 10.34 C ATOM 397 O MET A 69 1.975 -4.577 3.805 1.00 64.41 O ATOM 398 CB MET A 69 5.279 -4.545 3.203 1.00 63.21 C ATOM 399 CG MET A 69 6.645 -4.566 3.890 1.00 60.34 C ATOM 400 SD MET A 69 7.944 -3.684 2.978 1.00 20.21 S ATOM 401 CE MET A 69 7.431 -1.959 3.200 1.00 63.22 C ATOM 0 H MET A 69 5.425 -6.995 3.164 1.00 2.45 H new ATOM 0 HA MET A 69 4.173 -5.112 4.939 1.00 54.23 H new ATOM 0 HB2 MET A 69 5.394 -4.875 2.171 1.00 63.21 H new ATOM 0 HB3 MET A 69 4.912 -3.519 3.170 1.00 63.21 H new ATOM 0 HG2 MET A 69 6.548 -4.125 4.882 1.00 60.34 H new ATOM 0 HG3 MET A 69 6.954 -5.602 4.031 1.00 60.34 H new ATOM 0 HE1 MET A 69 7.109 -1.549 2.243 1.00 63.22 H new ATOM 0 HE2 MET A 69 6.606 -1.913 3.911 1.00 63.22 H new ATOM 0 HE3 MET A 69 8.270 -1.376 3.580 1.00 63.22 H new ATOM 411 N VAL A 70 2.625 -5.945 2.128 1.00 22.14 N ATOM 412 CA VAL A 70 1.372 -5.918 1.382 1.00 0.45 C ATOM 413 C VAL A 70 0.217 -6.447 2.234 1.00 44.11 C ATOM 414 O VAL A 70 -0.786 -5.752 2.383 1.00 14.21 O ATOM 415 CB VAL A 70 1.498 -6.646 0.023 1.00 42.45 C ATOM 416 CG1 VAL A 70 0.313 -6.308 -0.881 1.00 63.12 C ATOM 417 CG2 VAL A 70 2.783 -6.310 -0.752 1.00 55.21 C ATOM 0 H VAL A 70 3.338 -6.531 1.693 1.00 22.14 H new ATOM 0 HA VAL A 70 1.141 -4.879 1.146 1.00 0.45 H new ATOM 0 HB VAL A 70 1.523 -7.706 0.276 1.00 42.45 H new ATOM 0 HG11 VAL A 70 0.420 -6.830 -1.832 1.00 63.12 H new ATOM 0 HG12 VAL A 70 -0.613 -6.620 -0.398 1.00 63.12 H new ATOM 0 HG13 VAL A 70 0.286 -5.233 -1.058 1.00 63.12 H new ATOM 0 HG21 VAL A 70 2.795 -6.861 -1.693 1.00 55.21 H new ATOM 0 HG22 VAL A 70 2.815 -5.240 -0.957 1.00 55.21 H new ATOM 0 HG23 VAL A 70 3.651 -6.591 -0.156 1.00 55.21 H new ATOM 427 N GLU A 71 0.341 -7.660 2.779 1.00 34.12 N ATOM 428 CA GLU A 71 -0.706 -8.256 3.609 1.00 22.03 C ATOM 429 C GLU A 71 -0.990 -7.372 4.818 1.00 33.00 C ATOM 430 O GLU A 71 -2.158 -7.162 5.126 1.00 24.33 O ATOM 431 CB GLU A 71 -0.417 -9.710 4.031 1.00 74.21 C ATOM 432 CG GLU A 71 0.956 -9.937 4.666 1.00 32.30 C ATOM 433 CD GLU A 71 0.974 -10.761 5.956 1.00 11.13 C ATOM 434 OE1 GLU A 71 0.350 -10.347 6.963 1.00 74.14 O ATOM 435 OE2 GLU A 71 1.680 -11.800 5.979 1.00 33.54 O ATOM 0 H GLU A 71 1.163 -8.251 2.658 1.00 34.12 H new ATOM 0 HA GLU A 71 -1.599 -8.311 2.987 1.00 22.03 H new ATOM 0 HB2 GLU A 71 -1.184 -10.027 4.737 1.00 74.21 H new ATOM 0 HB3 GLU A 71 -0.506 -10.352 3.154 1.00 74.21 H new ATOM 0 HG2 GLU A 71 1.595 -10.432 3.934 1.00 32.30 H new ATOM 0 HG3 GLU A 71 1.403 -8.965 4.874 1.00 32.30 H new ATOM 442 N THR A 72 0.024 -6.814 5.488 1.00 11.14 N ATOM 443 CA THR A 72 -0.216 -5.953 6.641 1.00 34.04 C ATOM 444 C THR A 72 -1.136 -4.795 6.243 1.00 70.32 C ATOM 445 O THR A 72 -2.243 -4.718 6.786 1.00 2.01 O ATOM 446 CB THR A 72 1.100 -5.499 7.274 1.00 10.42 C ATOM 447 OG1 THR A 72 1.843 -6.629 7.704 1.00 63.14 O ATOM 448 CG2 THR A 72 0.811 -4.602 8.479 1.00 31.45 C ATOM 0 H THR A 72 1.008 -6.944 5.252 1.00 11.14 H new ATOM 0 HA THR A 72 -0.733 -6.517 7.417 1.00 34.04 H new ATOM 0 HB THR A 72 1.676 -4.944 6.533 1.00 10.42 H new ATOM 0 HG1 THR A 72 2.333 -7.007 6.944 1.00 63.14 H new ATOM 0 HG21 THR A 72 1.751 -4.281 8.927 1.00 31.45 H new ATOM 0 HG22 THR A 72 0.246 -3.728 8.155 1.00 31.45 H new ATOM 0 HG23 THR A 72 0.229 -5.157 9.215 1.00 31.45 H new ATOM 456 N VAL A 73 -0.733 -3.937 5.292 1.00 2.44 N ATOM 457 CA VAL A 73 -1.609 -2.838 4.879 1.00 11.23 C ATOM 458 C VAL A 73 -2.975 -3.394 4.487 1.00 40.44 C ATOM 459 O VAL A 73 -3.974 -2.867 4.944 1.00 20.15 O ATOM 460 CB VAL A 73 -1.041 -2.052 3.692 1.00 41.13 C ATOM 461 CG1 VAL A 73 -1.976 -0.932 3.205 1.00 20.21 C ATOM 462 CG2 VAL A 73 0.314 -1.432 3.996 1.00 55.22 C ATOM 0 H VAL A 73 0.165 -3.982 4.810 1.00 2.44 H new ATOM 0 HA VAL A 73 -1.692 -2.157 5.726 1.00 11.23 H new ATOM 0 HB VAL A 73 -0.936 -2.798 2.904 1.00 41.13 H new ATOM 0 HG11 VAL A 73 -1.516 -0.414 2.364 1.00 20.21 H new ATOM 0 HG12 VAL A 73 -2.926 -1.363 2.890 1.00 20.21 H new ATOM 0 HG13 VAL A 73 -2.149 -0.224 4.016 1.00 20.21 H new ATOM 0 HG21 VAL A 73 0.669 -0.887 3.121 1.00 55.22 H new ATOM 0 HG22 VAL A 73 0.219 -0.745 4.837 1.00 55.22 H new ATOM 0 HG23 VAL A 73 1.026 -2.218 4.248 1.00 55.22 H new ATOM 472 N GLN A 74 -3.038 -4.456 3.684 1.00 11.33 N ATOM 473 CA GLN A 74 -4.302 -5.043 3.243 1.00 52.42 C ATOM 474 C GLN A 74 -5.238 -5.402 4.403 1.00 63.32 C ATOM 475 O GLN A 74 -6.447 -5.197 4.280 1.00 24.01 O ATOM 476 CB GLN A 74 -4.041 -6.258 2.340 1.00 51.22 C ATOM 477 CG GLN A 74 -5.312 -6.891 1.749 1.00 54.43 C ATOM 478 CD GLN A 74 -6.020 -6.083 0.656 1.00 33.22 C ATOM 479 OE1 GLN A 74 -6.138 -6.550 -0.472 1.00 42.41 O ATOM 480 NE2 GLN A 74 -6.580 -4.916 0.930 1.00 1.04 N ATOM 0 H GLN A 74 -2.213 -4.934 3.321 1.00 11.33 H new ATOM 0 HA GLN A 74 -4.822 -4.278 2.666 1.00 52.42 H new ATOM 0 HB2 GLN A 74 -3.386 -5.955 1.523 1.00 51.22 H new ATOM 0 HB3 GLN A 74 -3.505 -7.014 2.914 1.00 51.22 H new ATOM 0 HG2 GLN A 74 -5.051 -7.867 1.340 1.00 54.43 H new ATOM 0 HG3 GLN A 74 -6.019 -7.064 2.561 1.00 54.43 H new ATOM 0 HE21 GLN A 74 -6.491 -4.514 1.863 1.00 1.04 H new ATOM 0 HE22 GLN A 74 -7.101 -4.418 0.208 1.00 1.04 H new ATOM 489 N ASN A 75 -4.723 -5.958 5.500 1.00 24.11 N ATOM 490 CA ASN A 75 -5.541 -6.316 6.660 1.00 11.42 C ATOM 491 C ASN A 75 -6.103 -5.050 7.287 1.00 73.03 C ATOM 492 O ASN A 75 -7.267 -4.992 7.685 1.00 12.21 O ATOM 493 CB ASN A 75 -4.717 -7.029 7.742 1.00 1.52 C ATOM 494 CG ASN A 75 -4.454 -8.486 7.425 1.00 13.34 C ATOM 495 OD1 ASN A 75 -5.337 -9.327 7.538 1.00 14.41 O ATOM 496 ND2 ASN A 75 -3.237 -8.813 7.039 1.00 72.41 N ATOM 0 H ASN A 75 -3.732 -6.172 5.610 1.00 24.11 H new ATOM 0 HA ASN A 75 -6.329 -6.981 6.308 1.00 11.42 H new ATOM 0 HB2 ASN A 75 -3.765 -6.512 7.864 1.00 1.52 H new ATOM 0 HB3 ASN A 75 -5.242 -6.960 8.695 1.00 1.52 H new ATOM 0 HD21 ASN A 75 -3.013 -9.785 6.827 1.00 72.41 H new ATOM 0 HD22 ASN A 75 -2.519 -8.094 6.953 1.00 72.41 H new ATOM 503 N LEU A 76 -5.251 -4.032 7.405 1.00 73.44 N ATOM 504 CA LEU A 76 -5.637 -2.766 8.014 1.00 65.42 C ATOM 505 C LEU A 76 -6.450 -1.875 7.063 1.00 10.23 C ATOM 506 O LEU A 76 -7.171 -0.988 7.515 1.00 0.23 O ATOM 507 CB LEU A 76 -4.389 -2.061 8.571 1.00 71.23 C ATOM 508 CG LEU A 76 -3.498 -2.959 9.465 1.00 4.04 C ATOM 509 CD1 LEU A 76 -2.434 -2.116 10.159 1.00 0.44 C ATOM 510 CD2 LEU A 76 -4.245 -3.810 10.506 1.00 74.42 C ATOM 0 H LEU A 76 -4.283 -4.063 7.084 1.00 73.44 H new ATOM 0 HA LEU A 76 -6.311 -2.975 8.845 1.00 65.42 H new ATOM 0 HB2 LEU A 76 -3.792 -1.691 7.737 1.00 71.23 H new ATOM 0 HB3 LEU A 76 -4.704 -1.192 9.148 1.00 71.23 H new ATOM 0 HG LEU A 76 -3.049 -3.676 8.778 1.00 4.04 H new ATOM 0 HD11 LEU A 76 -1.813 -2.757 10.785 1.00 0.44 H new ATOM 0 HD12 LEU A 76 -1.811 -1.627 9.410 1.00 0.44 H new ATOM 0 HD13 LEU A 76 -2.916 -1.360 10.779 1.00 0.44 H new ATOM 0 HD21 LEU A 76 -3.527 -4.399 11.077 1.00 74.42 H new ATOM 0 HD22 LEU A 76 -4.797 -3.157 11.182 1.00 74.42 H new ATOM 0 HD23 LEU A 76 -4.941 -4.478 9.998 1.00 74.42 H new ATOM 522 N ALA A 77 -6.413 -2.145 5.760 1.00 2.50 N ATOM 523 CA ALA A 77 -7.088 -1.422 4.700 1.00 53.42 C ATOM 524 C ALA A 77 -7.731 -2.416 3.722 1.00 12.44 C ATOM 525 O ALA A 77 -7.225 -2.609 2.611 1.00 70.52 O ATOM 526 CB ALA A 77 -6.077 -0.499 4.005 1.00 11.25 C ATOM 0 H ALA A 77 -5.871 -2.930 5.399 1.00 2.50 H new ATOM 0 HA ALA A 77 -7.888 -0.804 5.107 1.00 53.42 H new ATOM 0 HB1 ALA A 77 -6.575 0.050 3.206 1.00 11.25 H new ATOM 0 HB2 ALA A 77 -5.670 0.206 4.730 1.00 11.25 H new ATOM 0 HB3 ALA A 77 -5.268 -1.096 3.585 1.00 11.25 H new ATOM 532 N PRO A 78 -8.851 -3.062 4.089 1.00 74.21 N ATOM 533 CA PRO A 78 -9.538 -4.011 3.210 1.00 63.24 C ATOM 534 C PRO A 78 -10.203 -3.289 2.024 1.00 15.02 C ATOM 535 O PRO A 78 -10.558 -3.910 1.024 1.00 41.13 O ATOM 536 CB PRO A 78 -10.585 -4.689 4.098 1.00 72.40 C ATOM 537 CG PRO A 78 -10.892 -3.627 5.151 1.00 22.42 C ATOM 538 CD PRO A 78 -9.548 -2.935 5.360 1.00 62.22 C ATOM 0 HA PRO A 78 -8.847 -4.731 2.772 1.00 63.24 H new ATOM 0 HB2 PRO A 78 -11.475 -4.964 3.532 1.00 72.40 H new ATOM 0 HB3 PRO A 78 -10.199 -5.603 4.549 1.00 72.40 H new ATOM 0 HG2 PRO A 78 -11.654 -2.928 4.806 1.00 22.42 H new ATOM 0 HG3 PRO A 78 -11.262 -4.072 6.074 1.00 22.42 H new ATOM 0 HD2 PRO A 78 -9.682 -1.888 5.632 1.00 62.22 H new ATOM 0 HD3 PRO A 78 -8.985 -3.404 6.166 1.00 62.22 H new ATOM 546 N ASN A 79 -10.359 -1.965 2.126 1.00 70.20 N ATOM 547 CA ASN A 79 -10.970 -1.106 1.122 1.00 41.25 C ATOM 548 C ASN A 79 -9.969 -0.696 0.027 1.00 72.12 C ATOM 549 O ASN A 79 -10.193 0.286 -0.682 1.00 73.33 O ATOM 550 CB ASN A 79 -11.633 0.108 1.810 1.00 31.22 C ATOM 551 CG ASN A 79 -12.805 0.693 1.023 1.00 63.24 C ATOM 552 OD1 ASN A 79 -13.629 1.425 1.559 1.00 45.42 O ATOM 553 ND2 ASN A 79 -12.941 0.416 -0.261 1.00 3.11 N ATOM 0 H ASN A 79 -10.048 -1.447 2.947 1.00 70.20 H new ATOM 0 HA ASN A 79 -11.749 -1.668 0.607 1.00 41.25 H new ATOM 0 HB2 ASN A 79 -11.983 -0.191 2.798 1.00 31.22 H new ATOM 0 HB3 ASN A 79 -10.883 0.885 1.959 1.00 31.22 H new ATOM 0 HD21 ASN A 79 -13.721 0.809 -0.788 1.00 3.11 H new ATOM 0 HD22 ASN A 79 -12.266 -0.191 -0.726 1.00 3.11 H new ATOM 560 N LEU A 80 -8.833 -1.391 -0.073 1.00 40.12 N ATOM 561 CA LEU A 80 -7.789 -1.148 -1.066 1.00 52.44 C ATOM 562 C LEU A 80 -7.528 -2.430 -1.838 1.00 33.41 C ATOM 563 O LEU A 80 -7.715 -3.534 -1.311 1.00 50.12 O ATOM 564 CB LEU A 80 -6.473 -0.706 -0.406 1.00 31.50 C ATOM 565 CG LEU A 80 -6.447 0.730 0.140 1.00 43.35 C ATOM 566 CD1 LEU A 80 -5.032 0.998 0.660 1.00 3.12 C ATOM 567 CD2 LEU A 80 -6.803 1.784 -0.921 1.00 4.30 C ATOM 0 H LEU A 80 -8.610 -2.162 0.556 1.00 40.12 H new ATOM 0 HA LEU A 80 -8.134 -0.353 -1.727 1.00 52.44 H new ATOM 0 HB2 LEU A 80 -6.252 -1.390 0.413 1.00 31.50 H new ATOM 0 HB3 LEU A 80 -5.670 -0.812 -1.135 1.00 31.50 H new ATOM 0 HG LEU A 80 -7.199 0.812 0.925 1.00 43.35 H new ATOM 0 HD11 LEU A 80 -4.976 2.012 1.057 1.00 3.12 H new ATOM 0 HD12 LEU A 80 -4.794 0.286 1.450 1.00 3.12 H new ATOM 0 HD13 LEU A 80 -4.318 0.888 -0.156 1.00 3.12 H new ATOM 0 HD21 LEU A 80 -6.767 2.777 -0.474 1.00 4.30 H new ATOM 0 HD22 LEU A 80 -6.088 1.730 -1.742 1.00 4.30 H new ATOM 0 HD23 LEU A 80 -7.807 1.593 -1.301 1.00 4.30 H new ATOM 579 N HIS A 81 -7.080 -2.298 -3.084 1.00 13.00 N ATOM 580 CA HIS A 81 -6.766 -3.420 -3.947 1.00 61.20 C ATOM 581 C HIS A 81 -5.410 -3.989 -3.505 1.00 35.51 C ATOM 582 O HIS A 81 -4.513 -3.215 -3.153 1.00 44.22 O ATOM 583 CB HIS A 81 -6.707 -2.925 -5.390 1.00 71.35 C ATOM 584 CG HIS A 81 -6.693 -4.010 -6.422 1.00 3.31 C ATOM 585 ND1 HIS A 81 -5.545 -4.615 -6.920 1.00 1.31 N ATOM 586 CD2 HIS A 81 -7.788 -4.537 -7.036 1.00 64.02 C ATOM 587 CE1 HIS A 81 -5.970 -5.473 -7.863 1.00 21.25 C ATOM 588 NE2 HIS A 81 -7.312 -5.451 -7.949 1.00 23.13 N ATOM 0 H HIS A 81 -6.924 -1.391 -3.524 1.00 13.00 H new ATOM 0 HA HIS A 81 -7.523 -4.201 -3.880 1.00 61.20 H new ATOM 0 HB2 HIS A 81 -7.565 -2.278 -5.574 1.00 71.35 H new ATOM 0 HB3 HIS A 81 -5.814 -2.313 -5.514 1.00 71.35 H new ATOM 0 HD2 HIS A 81 -8.822 -4.288 -6.845 1.00 64.02 H new ATOM 0 HE1 HIS A 81 -5.324 -6.093 -8.467 1.00 21.25 H new ATOM 0 HE2 HIS A 81 -7.880 -6.015 -8.582 1.00 23.13 H new ATOM 596 N PRO A 82 -5.204 -5.313 -3.557 1.00 35.03 N ATOM 597 CA PRO A 82 -3.955 -5.937 -3.138 1.00 23.24 C ATOM 598 C PRO A 82 -2.767 -5.568 -4.027 1.00 50.44 C ATOM 599 O PRO A 82 -1.619 -5.720 -3.605 1.00 23.11 O ATOM 600 CB PRO A 82 -4.234 -7.440 -3.128 1.00 30.44 C ATOM 601 CG PRO A 82 -5.406 -7.620 -4.084 1.00 11.25 C ATOM 602 CD PRO A 82 -6.172 -6.309 -3.969 1.00 1.50 C ATOM 0 HA PRO A 82 -3.655 -5.579 -2.153 1.00 23.24 H new ATOM 0 HB2 PRO A 82 -3.363 -8.007 -3.457 1.00 30.44 H new ATOM 0 HB3 PRO A 82 -4.482 -7.790 -2.126 1.00 30.44 H new ATOM 0 HG2 PRO A 82 -5.066 -7.797 -5.105 1.00 11.25 H new ATOM 0 HG3 PRO A 82 -6.025 -8.471 -3.802 1.00 11.25 H new ATOM 0 HD2 PRO A 82 -6.628 -6.039 -4.922 1.00 1.50 H new ATOM 0 HD3 PRO A 82 -6.980 -6.392 -3.242 1.00 1.50 H new ATOM 610 N GLU A 83 -3.014 -5.082 -5.244 1.00 41.20 N ATOM 611 CA GLU A 83 -1.972 -4.690 -6.176 1.00 4.31 C ATOM 612 C GLU A 83 -1.545 -3.241 -5.915 1.00 22.44 C ATOM 613 O GLU A 83 -0.354 -2.927 -5.987 1.00 62.51 O ATOM 614 CB GLU A 83 -2.507 -4.874 -7.605 1.00 73.41 C ATOM 615 CG GLU A 83 -1.451 -5.231 -8.652 1.00 51.14 C ATOM 616 CD GLU A 83 -0.820 -6.625 -8.523 1.00 60.34 C ATOM 617 OE1 GLU A 83 -1.354 -7.512 -7.814 1.00 70.54 O ATOM 618 OE2 GLU A 83 0.216 -6.829 -9.193 1.00 2.44 O ATOM 0 H GLU A 83 -3.957 -4.950 -5.609 1.00 41.20 H new ATOM 0 HA GLU A 83 -1.088 -5.314 -6.044 1.00 4.31 H new ATOM 0 HB2 GLU A 83 -3.265 -5.657 -7.594 1.00 73.41 H new ATOM 0 HB3 GLU A 83 -3.004 -3.954 -7.912 1.00 73.41 H new ATOM 0 HG2 GLU A 83 -1.905 -5.149 -9.640 1.00 51.14 H new ATOM 0 HG3 GLU A 83 -0.655 -4.488 -8.605 1.00 51.14 H new ATOM 625 N GLN A 84 -2.502 -2.354 -5.589 1.00 64.12 N ATOM 626 CA GLN A 84 -2.213 -0.948 -5.308 1.00 61.42 C ATOM 627 C GLN A 84 -1.229 -0.841 -4.156 1.00 65.23 C ATOM 628 O GLN A 84 -0.247 -0.111 -4.261 1.00 72.41 O ATOM 629 CB GLN A 84 -3.461 -0.166 -4.868 1.00 73.42 C ATOM 630 CG GLN A 84 -4.470 0.110 -5.974 1.00 73.44 C ATOM 631 CD GLN A 84 -5.705 0.792 -5.390 1.00 43.42 C ATOM 632 OE1 GLN A 84 -6.579 0.162 -4.800 1.00 53.14 O ATOM 633 NE2 GLN A 84 -5.796 2.103 -5.510 1.00 15.34 N ATOM 0 H GLN A 84 -3.490 -2.596 -5.515 1.00 64.12 H new ATOM 0 HA GLN A 84 -1.820 -0.532 -6.236 1.00 61.42 H new ATOM 0 HB2 GLN A 84 -3.958 -0.722 -4.073 1.00 73.42 H new ATOM 0 HB3 GLN A 84 -3.143 0.785 -4.441 1.00 73.42 H new ATOM 0 HG2 GLN A 84 -4.021 0.744 -6.739 1.00 73.44 H new ATOM 0 HG3 GLN A 84 -4.754 -0.823 -6.460 1.00 73.44 H new ATOM 0 HE21 GLN A 84 -5.068 2.622 -6.001 1.00 15.34 H new ATOM 0 HE22 GLN A 84 -6.594 2.597 -5.112 1.00 15.34 H new ATOM 642 N ILE A 85 -1.499 -1.575 -3.074 1.00 2.42 N ATOM 643 CA ILE A 85 -0.718 -1.601 -1.854 1.00 75.10 C ATOM 644 C ILE A 85 0.757 -1.791 -2.155 1.00 74.51 C ATOM 645 O ILE A 85 1.561 -0.989 -1.698 1.00 4.23 O ATOM 646 CB ILE A 85 -1.271 -2.688 -0.924 1.00 32.34 C ATOM 647 CG1 ILE A 85 -2.690 -2.339 -0.442 1.00 32.04 C ATOM 648 CG2 ILE A 85 -0.344 -2.864 0.282 1.00 12.40 C ATOM 649 CD1 ILE A 85 -3.356 -3.562 0.181 1.00 20.42 C ATOM 0 H ILE A 85 -2.309 -2.194 -3.032 1.00 2.42 H new ATOM 0 HA ILE A 85 -0.803 -0.642 -1.344 1.00 75.10 H new ATOM 0 HB ILE A 85 -1.321 -3.621 -1.486 1.00 32.34 H new ATOM 0 HG12 ILE A 85 -2.644 -1.531 0.288 1.00 32.04 H new ATOM 0 HG13 ILE A 85 -3.287 -1.979 -1.280 1.00 32.04 H new ATOM 0 HG21 ILE A 85 -0.743 -3.638 0.938 1.00 12.40 H new ATOM 0 HG22 ILE A 85 0.648 -3.156 -0.061 1.00 12.40 H new ATOM 0 HG23 ILE A 85 -0.276 -1.924 0.829 1.00 12.40 H new ATOM 0 HD11 ILE A 85 -4.359 -3.299 0.517 1.00 20.42 H new ATOM 0 HD12 ILE A 85 -3.419 -4.359 -0.560 1.00 20.42 H new ATOM 0 HD13 ILE A 85 -2.766 -3.904 1.032 1.00 20.42 H new ATOM 661 N ARG A 86 1.130 -2.832 -2.904 1.00 22.13 N ATOM 662 CA ARG A 86 2.534 -3.059 -3.233 1.00 51.42 C ATOM 663 C ARG A 86 3.169 -1.788 -3.790 1.00 74.30 C ATOM 664 O ARG A 86 4.262 -1.419 -3.369 1.00 72.51 O ATOM 665 CB ARG A 86 2.663 -4.264 -4.172 1.00 61.44 C ATOM 666 CG ARG A 86 4.106 -4.488 -4.660 1.00 22.23 C ATOM 667 CD ARG A 86 4.504 -3.793 -5.979 1.00 70.00 C ATOM 668 NE ARG A 86 3.506 -3.901 -7.059 1.00 21.25 N ATOM 669 CZ ARG A 86 3.033 -5.048 -7.598 1.00 23.22 C ATOM 670 NH1 ARG A 86 3.376 -6.237 -7.124 1.00 11.43 N ATOM 671 NH2 ARG A 86 2.187 -5.026 -8.616 1.00 14.23 N ATOM 0 H ARG A 86 0.485 -3.522 -3.289 1.00 22.13 H new ATOM 0 HA ARG A 86 3.090 -3.303 -2.327 1.00 51.42 H new ATOM 0 HB2 ARG A 86 2.315 -5.159 -3.657 1.00 61.44 H new ATOM 0 HB3 ARG A 86 2.011 -4.119 -5.034 1.00 61.44 H new ATOM 0 HG2 ARG A 86 4.786 -4.151 -3.878 1.00 22.23 H new ATOM 0 HG3 ARG A 86 4.263 -5.560 -4.779 1.00 22.23 H new ATOM 0 HD2 ARG A 86 4.687 -2.738 -5.777 1.00 70.00 H new ATOM 0 HD3 ARG A 86 5.445 -4.219 -6.328 1.00 70.00 H new ATOM 0 HE ARG A 86 3.137 -3.028 -7.436 1.00 21.25 H new ATOM 0 HH11 ARG A 86 4.014 -6.305 -6.331 1.00 11.43 H new ATOM 0 HH12 ARG A 86 3.002 -7.084 -7.552 1.00 11.43 H new ATOM 0 HH21 ARG A 86 1.882 -4.134 -9.006 1.00 14.23 H new ATOM 0 HH22 ARG A 86 1.840 -5.901 -9.010 1.00 14.23 H new ATOM 685 N TYR A 87 2.502 -1.122 -4.729 1.00 22.23 N ATOM 686 CA TYR A 87 3.034 0.103 -5.300 1.00 43.12 C ATOM 687 C TYR A 87 3.123 1.209 -4.249 1.00 11.03 C ATOM 688 O TYR A 87 4.073 1.991 -4.250 1.00 70.44 O ATOM 689 CB TYR A 87 2.144 0.550 -6.461 1.00 23.21 C ATOM 690 CG TYR A 87 2.825 1.523 -7.395 1.00 42.22 C ATOM 691 CD1 TYR A 87 4.033 1.161 -8.022 1.00 32.13 C ATOM 692 CD2 TYR A 87 2.264 2.793 -7.632 1.00 24.12 C ATOM 693 CE1 TYR A 87 4.666 2.052 -8.899 1.00 32.11 C ATOM 694 CE2 TYR A 87 2.896 3.693 -8.508 1.00 23.03 C ATOM 695 CZ TYR A 87 4.096 3.318 -9.154 1.00 22.12 C ATOM 696 OH TYR A 87 4.729 4.181 -9.992 1.00 51.35 O ATOM 0 H TYR A 87 1.599 -1.411 -5.106 1.00 22.23 H new ATOM 0 HA TYR A 87 4.042 -0.092 -5.665 1.00 43.12 H new ATOM 0 HB2 TYR A 87 1.829 -0.327 -7.027 1.00 23.21 H new ATOM 0 HB3 TYR A 87 1.241 1.012 -6.061 1.00 23.21 H new ATOM 0 HD1 TYR A 87 4.473 0.194 -7.826 1.00 32.13 H new ATOM 0 HD2 TYR A 87 1.346 3.076 -7.139 1.00 24.12 H new ATOM 0 HE1 TYR A 87 5.591 1.770 -9.380 1.00 32.11 H new ATOM 0 HE2 TYR A 87 2.466 4.667 -8.687 1.00 23.03 H new ATOM 0 HH TYR A 87 4.209 5.008 -10.064 1.00 51.35 H new ATOM 706 N SER A 88 2.144 1.283 -3.352 1.00 43.41 N ATOM 707 CA SER A 88 2.110 2.294 -2.299 1.00 61.25 C ATOM 708 C SER A 88 3.333 2.123 -1.409 1.00 15.24 C ATOM 709 O SER A 88 4.049 3.076 -1.120 1.00 61.40 O ATOM 710 CB SER A 88 0.849 2.168 -1.441 1.00 15.11 C ATOM 711 OG SER A 88 -0.330 2.009 -2.191 1.00 2.52 O ATOM 0 H SER A 88 1.350 0.643 -3.334 1.00 43.41 H new ATOM 0 HA SER A 88 2.107 3.277 -2.769 1.00 61.25 H new ATOM 0 HB2 SER A 88 0.960 1.316 -0.770 1.00 15.11 H new ATOM 0 HB3 SER A 88 0.755 3.056 -0.816 1.00 15.11 H new ATOM 0 HG SER A 88 -1.074 2.446 -1.727 1.00 2.52 H new ATOM 717 N LEU A 89 3.601 0.886 -1.006 1.00 12.13 N ATOM 718 CA LEU A 89 4.718 0.513 -0.162 1.00 51.10 C ATOM 719 C LEU A 89 6.035 0.811 -0.862 1.00 5.11 C ATOM 720 O LEU A 89 6.995 1.170 -0.194 1.00 45.10 O ATOM 721 CB LEU A 89 4.636 -0.982 0.137 1.00 70.51 C ATOM 722 CG LEU A 89 3.407 -1.383 0.954 1.00 12.22 C ATOM 723 CD1 LEU A 89 3.226 -2.887 0.830 1.00 31.52 C ATOM 724 CD2 LEU A 89 3.549 -0.986 2.413 1.00 63.21 C ATOM 0 H LEU A 89 3.021 0.090 -1.271 1.00 12.13 H new ATOM 0 HA LEU A 89 4.673 1.087 0.763 1.00 51.10 H new ATOM 0 HB2 LEU A 89 4.629 -1.531 -0.804 1.00 70.51 H new ATOM 0 HB3 LEU A 89 5.534 -1.285 0.676 1.00 70.51 H new ATOM 0 HG LEU A 89 2.533 -0.860 0.567 1.00 12.22 H new ATOM 0 HD11 LEU A 89 2.354 -3.197 1.405 1.00 31.52 H new ATOM 0 HD12 LEU A 89 3.082 -3.151 -0.218 1.00 31.52 H new ATOM 0 HD13 LEU A 89 4.112 -3.393 1.213 1.00 31.52 H new ATOM 0 HD21 LEU A 89 2.656 -1.288 2.961 1.00 63.21 H new ATOM 0 HD22 LEU A 89 4.421 -1.480 2.841 1.00 63.21 H new ATOM 0 HD23 LEU A 89 3.671 0.095 2.486 1.00 63.21 H new ATOM 736 N GLU A 90 6.108 0.649 -2.187 1.00 73.23 N ATOM 737 CA GLU A 90 7.338 0.915 -2.927 1.00 21.01 C ATOM 738 C GLU A 90 7.611 2.418 -2.954 1.00 1.21 C ATOM 739 O GLU A 90 8.761 2.848 -2.945 1.00 5.32 O ATOM 740 CB GLU A 90 7.219 0.360 -4.352 1.00 45.31 C ATOM 741 CG GLU A 90 7.485 -1.154 -4.376 1.00 24.11 C ATOM 742 CD GLU A 90 7.292 -1.828 -5.738 1.00 42.44 C ATOM 743 OE1 GLU A 90 6.611 -1.268 -6.627 1.00 55.02 O ATOM 744 OE2 GLU A 90 7.784 -2.972 -5.906 1.00 3.51 O ATOM 0 H GLU A 90 5.329 0.335 -2.765 1.00 73.23 H new ATOM 0 HA GLU A 90 8.173 0.420 -2.432 1.00 21.01 H new ATOM 0 HB2 GLU A 90 6.223 0.564 -4.744 1.00 45.31 H new ATOM 0 HB3 GLU A 90 7.929 0.868 -5.005 1.00 45.31 H new ATOM 0 HG2 GLU A 90 8.507 -1.333 -4.042 1.00 24.11 H new ATOM 0 HG3 GLU A 90 6.825 -1.634 -3.654 1.00 24.11 H new ATOM 751 N ASN A 91 6.551 3.222 -2.987 1.00 75.45 N ATOM 752 CA ASN A 91 6.645 4.674 -3.005 1.00 22.34 C ATOM 753 C ASN A 91 6.981 5.230 -1.621 1.00 70.00 C ATOM 754 O ASN A 91 7.975 5.943 -1.479 1.00 13.10 O ATOM 755 CB ASN A 91 5.357 5.294 -3.568 1.00 32.41 C ATOM 756 CG ASN A 91 5.385 5.262 -5.091 1.00 60.21 C ATOM 757 OD1 ASN A 91 5.956 6.140 -5.730 1.00 50.32 O ATOM 758 ND2 ASN A 91 4.860 4.208 -5.696 1.00 55.40 N ATOM 0 H ASN A 91 5.592 2.876 -3.002 1.00 75.45 H new ATOM 0 HA ASN A 91 7.466 4.951 -3.667 1.00 22.34 H new ATOM 0 HB2 ASN A 91 4.489 4.746 -3.201 1.00 32.41 H new ATOM 0 HB3 ASN A 91 5.256 6.322 -3.220 1.00 32.41 H new ATOM 0 HD21 ASN A 91 4.927 4.116 -6.710 1.00 55.40 H new ATOM 0 HD22 ASN A 91 4.389 3.488 -5.148 1.00 55.40 H new ATOM 765 N THR A 92 6.179 4.901 -0.609 1.00 22.21 N ATOM 766 CA THR A 92 6.311 5.354 0.769 1.00 43.03 C ATOM 767 C THR A 92 7.520 4.736 1.485 1.00 11.03 C ATOM 768 O THR A 92 8.232 5.423 2.224 1.00 4.21 O ATOM 769 CB THR A 92 4.996 4.992 1.495 1.00 11.22 C ATOM 770 OG1 THR A 92 4.836 3.589 1.512 1.00 24.41 O ATOM 771 CG2 THR A 92 3.726 5.562 0.855 1.00 74.12 C ATOM 0 H THR A 92 5.380 4.280 -0.738 1.00 22.21 H new ATOM 0 HA THR A 92 6.486 6.430 0.780 1.00 43.03 H new ATOM 0 HB THR A 92 5.099 5.431 2.487 1.00 11.22 H new ATOM 0 HG1 THR A 92 4.493 3.288 0.645 1.00 24.41 H new ATOM 0 HG21 THR A 92 2.856 5.254 1.435 1.00 74.12 H new ATOM 0 HG22 THR A 92 3.784 6.650 0.838 1.00 74.12 H new ATOM 0 HG23 THR A 92 3.633 5.188 -0.165 1.00 74.12 H new ATOM 779 N GLY A 93 7.770 3.442 1.265 1.00 53.43 N ATOM 780 CA GLY A 93 8.844 2.654 1.850 1.00 22.15 C ATOM 781 C GLY A 93 8.457 2.004 3.184 1.00 62.24 C ATOM 782 O GLY A 93 9.245 1.210 3.703 1.00 33.12 O ATOM 0 H GLY A 93 7.189 2.889 0.635 1.00 53.43 H new ATOM 0 HA2 GLY A 93 9.140 1.876 1.146 1.00 22.15 H new ATOM 0 HA3 GLY A 93 9.713 3.293 2.003 1.00 22.15 H new ATOM 786 N SER A 94 7.273 2.301 3.739 1.00 41.23 N ATOM 787 CA SER A 94 6.804 1.769 5.011 1.00 64.52 C ATOM 788 C SER A 94 5.293 1.521 4.992 1.00 73.22 C ATOM 789 O SER A 94 4.513 2.270 4.395 1.00 72.44 O ATOM 790 CB SER A 94 7.200 2.745 6.131 1.00 25.44 C ATOM 791 OG SER A 94 8.609 2.886 6.211 1.00 5.23 O ATOM 0 H SER A 94 6.605 2.934 3.299 1.00 41.23 H new ATOM 0 HA SER A 94 7.274 0.802 5.192 1.00 64.52 H new ATOM 0 HB2 SER A 94 6.744 3.718 5.948 1.00 25.44 H new ATOM 0 HB3 SER A 94 6.813 2.386 7.084 1.00 25.44 H new ATOM 0 HG SER A 94 8.835 3.513 6.930 1.00 5.23 H new ATOM 797 N VAL A 95 4.891 0.439 5.657 1.00 52.44 N ATOM 798 CA VAL A 95 3.512 -0.004 5.816 1.00 55.12 C ATOM 799 C VAL A 95 2.787 1.079 6.592 1.00 34.24 C ATOM 800 O VAL A 95 1.731 1.520 6.162 1.00 30.41 O ATOM 801 CB VAL A 95 3.487 -1.336 6.593 1.00 32.13 C ATOM 802 CG1 VAL A 95 2.108 -1.795 7.072 1.00 32.30 C ATOM 803 CG2 VAL A 95 4.134 -2.467 5.794 1.00 31.15 C ATOM 0 H VAL A 95 5.554 -0.182 6.122 1.00 52.44 H new ATOM 0 HA VAL A 95 3.031 -0.168 4.852 1.00 55.12 H new ATOM 0 HB VAL A 95 4.067 -1.115 7.489 1.00 32.13 H new ATOM 0 HG11 VAL A 95 2.204 -2.740 7.606 1.00 32.30 H new ATOM 0 HG12 VAL A 95 1.686 -1.043 7.739 1.00 32.30 H new ATOM 0 HG13 VAL A 95 1.450 -1.929 6.213 1.00 32.30 H new ATOM 0 HG21 VAL A 95 4.098 -3.389 6.374 1.00 31.15 H new ATOM 0 HG22 VAL A 95 3.594 -2.606 4.857 1.00 31.15 H new ATOM 0 HG23 VAL A 95 5.172 -2.214 5.580 1.00 31.15 H new ATOM 813 N GLU A 96 3.370 1.511 7.710 1.00 72.41 N ATOM 814 CA GLU A 96 2.817 2.529 8.580 1.00 21.43 C ATOM 815 C GLU A 96 2.443 3.783 7.794 1.00 63.20 C ATOM 816 O GLU A 96 1.320 4.247 7.933 1.00 12.10 O ATOM 817 CB GLU A 96 3.779 2.748 9.749 1.00 72.03 C ATOM 818 CG GLU A 96 5.018 3.606 9.476 1.00 0.32 C ATOM 819 CD GLU A 96 5.939 3.581 10.698 1.00 51.53 C ATOM 820 OE1 GLU A 96 5.503 3.985 11.801 1.00 24.30 O ATOM 821 OE2 GLU A 96 7.068 3.046 10.604 1.00 21.35 O ATOM 0 H GLU A 96 4.265 1.147 8.038 1.00 72.41 H new ATOM 0 HA GLU A 96 1.871 2.205 9.014 1.00 21.43 H new ATOM 0 HB2 GLU A 96 3.222 3.207 10.565 1.00 72.03 H new ATOM 0 HB3 GLU A 96 4.113 1.772 10.101 1.00 72.03 H new ATOM 0 HG2 GLU A 96 5.548 3.230 8.601 1.00 0.32 H new ATOM 0 HG3 GLU A 96 4.721 4.631 9.253 1.00 0.32 H new ATOM 828 N GLU A 97 3.321 4.280 6.913 1.00 40.41 N ATOM 829 CA GLU A 97 3.000 5.471 6.124 1.00 74.41 C ATOM 830 C GLU A 97 1.805 5.148 5.235 1.00 55.44 C ATOM 831 O GLU A 97 0.870 5.933 5.157 1.00 54.14 O ATOM 832 CB GLU A 97 4.202 5.952 5.290 1.00 32.00 C ATOM 833 CG GLU A 97 3.854 7.110 4.332 1.00 23.31 C ATOM 834 CD GLU A 97 3.075 8.279 4.955 1.00 2.24 C ATOM 835 OE1 GLU A 97 3.473 8.780 6.035 1.00 31.23 O ATOM 836 OE2 GLU A 97 2.104 8.747 4.327 1.00 32.02 O ATOM 0 H GLU A 97 4.243 3.883 6.732 1.00 40.41 H new ATOM 0 HA GLU A 97 2.752 6.291 6.798 1.00 74.41 H new ATOM 0 HB2 GLU A 97 4.997 6.272 5.963 1.00 32.00 H new ATOM 0 HB3 GLU A 97 4.592 5.115 4.711 1.00 32.00 H new ATOM 0 HG2 GLU A 97 4.781 7.499 3.910 1.00 23.31 H new ATOM 0 HG3 GLU A 97 3.270 6.709 3.504 1.00 23.31 H new ATOM 843 N THR A 98 1.821 3.987 4.580 1.00 3.44 N ATOM 844 CA THR A 98 0.743 3.549 3.709 1.00 61.45 C ATOM 845 C THR A 98 -0.600 3.519 4.464 1.00 23.31 C ATOM 846 O THR A 98 -1.639 3.871 3.904 1.00 34.21 O ATOM 847 CB THR A 98 1.120 2.206 3.075 1.00 55.24 C ATOM 848 OG1 THR A 98 2.361 2.308 2.402 1.00 54.43 O ATOM 849 CG2 THR A 98 0.109 1.797 2.012 1.00 13.44 C ATOM 0 H THR A 98 2.592 3.322 4.643 1.00 3.44 H new ATOM 0 HA THR A 98 0.603 4.263 2.898 1.00 61.45 H new ATOM 0 HB THR A 98 1.155 1.479 3.887 1.00 55.24 H new ATOM 0 HG1 THR A 98 3.092 2.250 3.053 1.00 54.43 H new ATOM 0 HG21 THR A 98 0.402 0.840 1.580 1.00 13.44 H new ATOM 0 HG22 THR A 98 -0.878 1.703 2.465 1.00 13.44 H new ATOM 0 HG23 THR A 98 0.078 2.555 1.229 1.00 13.44 H new ATOM 857 N VAL A 99 -0.598 3.124 5.729 1.00 1.14 N ATOM 858 CA VAL A 99 -1.793 3.068 6.556 1.00 54.11 C ATOM 859 C VAL A 99 -2.181 4.492 6.993 1.00 65.11 C ATOM 860 O VAL A 99 -3.369 4.814 6.984 1.00 34.22 O ATOM 861 CB VAL A 99 -1.556 2.093 7.730 1.00 54.15 C ATOM 862 CG1 VAL A 99 -2.727 2.064 8.718 1.00 62.14 C ATOM 863 CG2 VAL A 99 -1.369 0.656 7.209 1.00 75.03 C ATOM 0 H VAL A 99 0.248 2.829 6.217 1.00 1.14 H new ATOM 0 HA VAL A 99 -2.643 2.677 5.997 1.00 54.11 H new ATOM 0 HB VAL A 99 -0.662 2.453 8.239 1.00 54.15 H new ATOM 0 HG11 VAL A 99 -2.507 1.362 9.523 1.00 62.14 H new ATOM 0 HG12 VAL A 99 -2.876 3.060 9.135 1.00 62.14 H new ATOM 0 HG13 VAL A 99 -3.633 1.749 8.200 1.00 62.14 H new ATOM 0 HG21 VAL A 99 -1.203 -0.017 8.050 1.00 75.03 H new ATOM 0 HG22 VAL A 99 -2.263 0.346 6.667 1.00 75.03 H new ATOM 0 HG23 VAL A 99 -0.509 0.620 6.541 1.00 75.03 H new ATOM 873 N GLU A 100 -1.215 5.357 7.328 1.00 65.14 N ATOM 874 CA GLU A 100 -1.446 6.734 7.774 1.00 64.23 C ATOM 875 C GLU A 100 -2.044 7.590 6.662 1.00 24.43 C ATOM 876 O GLU A 100 -2.844 8.490 6.924 1.00 21.22 O ATOM 877 CB GLU A 100 -0.169 7.367 8.355 1.00 50.00 C ATOM 878 CG GLU A 100 0.129 6.859 9.780 1.00 52.31 C ATOM 879 CD GLU A 100 0.794 7.927 10.654 1.00 15.14 C ATOM 880 OE1 GLU A 100 1.877 8.452 10.303 1.00 35.21 O ATOM 881 OE2 GLU A 100 0.226 8.278 11.714 1.00 53.12 O ATOM 0 H GLU A 100 -0.226 5.110 7.295 1.00 65.14 H new ATOM 0 HA GLU A 100 -2.178 6.693 8.581 1.00 64.23 H new ATOM 0 HB2 GLU A 100 0.676 7.141 7.705 1.00 50.00 H new ATOM 0 HB3 GLU A 100 -0.277 8.452 8.372 1.00 50.00 H new ATOM 0 HG2 GLU A 100 -0.800 6.536 10.249 1.00 52.31 H new ATOM 0 HG3 GLU A 100 0.778 5.985 9.723 1.00 52.31 H new ATOM 888 N ARG A 101 -1.687 7.320 5.410 1.00 34.22 N ATOM 889 CA ARG A 101 -2.233 8.053 4.276 1.00 33.24 C ATOM 890 C ARG A 101 -3.591 7.449 3.921 1.00 75.21 C ATOM 891 O ARG A 101 -4.532 8.174 3.605 1.00 60.20 O ATOM 892 CB ARG A 101 -1.231 8.055 3.123 1.00 60.24 C ATOM 893 CG ARG A 101 -0.905 6.651 2.621 1.00 23.04 C ATOM 894 CD ARG A 101 0.337 6.581 1.746 1.00 64.22 C ATOM 895 NE ARG A 101 0.279 7.619 0.728 1.00 20.15 N ATOM 896 CZ ARG A 101 -0.427 7.617 -0.407 1.00 54.00 C ATOM 897 NH1 ARG A 101 -1.052 6.521 -0.823 1.00 64.22 N ATOM 898 NH2 ARG A 101 -0.535 8.731 -1.117 1.00 33.44 N ATOM 0 H ARG A 101 -1.017 6.594 5.156 1.00 34.22 H new ATOM 0 HA ARG A 101 -2.399 9.102 4.520 1.00 33.24 H new ATOM 0 HB2 ARG A 101 -1.632 8.646 2.300 1.00 60.24 H new ATOM 0 HB3 ARG A 101 -0.312 8.543 3.447 1.00 60.24 H new ATOM 0 HG2 ARG A 101 -0.771 5.992 3.478 1.00 23.04 H new ATOM 0 HG3 ARG A 101 -1.757 6.271 2.057 1.00 23.04 H new ATOM 0 HD2 ARG A 101 1.231 6.707 2.357 1.00 64.22 H new ATOM 0 HD3 ARG A 101 0.407 5.600 1.276 1.00 64.22 H new ATOM 0 HE ARG A 101 0.846 8.449 0.902 1.00 20.15 H new ATOM 0 HH11 ARG A 101 -0.997 5.663 -0.274 1.00 64.22 H new ATOM 0 HH12 ARG A 101 -1.586 6.537 -1.692 1.00 64.22 H new ATOM 0 HH21 ARG A 101 -0.080 9.586 -0.797 1.00 33.44 H new ATOM 0 HH22 ARG A 101 -1.073 8.733 -1.984 1.00 33.44 H new ATOM 912 N TYR A 102 -3.717 6.120 3.998 1.00 22.01 N ATOM 913 CA TYR A 102 -4.957 5.400 3.716 1.00 25.23 C ATOM 914 C TYR A 102 -6.093 5.941 4.584 1.00 30.34 C ATOM 915 O TYR A 102 -7.113 6.361 4.044 1.00 1.33 O ATOM 916 CB TYR A 102 -4.752 3.900 3.913 1.00 72.23 C ATOM 917 CG TYR A 102 -6.031 3.159 4.191 1.00 53.02 C ATOM 918 CD1 TYR A 102 -6.961 2.949 3.160 1.00 73.34 C ATOM 919 CD2 TYR A 102 -6.329 2.788 5.511 1.00 72.34 C ATOM 920 CE1 TYR A 102 -8.190 2.335 3.444 1.00 75.43 C ATOM 921 CE2 TYR A 102 -7.556 2.177 5.802 1.00 24.05 C ATOM 922 CZ TYR A 102 -8.497 1.944 4.769 1.00 53.43 C ATOM 923 OH TYR A 102 -9.697 1.355 5.035 1.00 50.52 O ATOM 0 H TYR A 102 -2.946 5.507 4.263 1.00 22.01 H new ATOM 0 HA TYR A 102 -5.237 5.559 2.675 1.00 25.23 H new ATOM 0 HB2 TYR A 102 -4.285 3.483 3.021 1.00 72.23 H new ATOM 0 HB3 TYR A 102 -4.060 3.740 4.740 1.00 72.23 H new ATOM 0 HD1 TYR A 102 -6.731 3.259 2.151 1.00 73.34 H new ATOM 0 HD2 TYR A 102 -5.615 2.973 6.300 1.00 72.34 H new ATOM 0 HE1 TYR A 102 -8.902 2.161 2.651 1.00 75.43 H new ATOM 0 HE2 TYR A 102 -7.785 1.883 6.816 1.00 24.05 H new ATOM 0 HH TYR A 102 -9.754 1.146 5.991 1.00 50.52 H new ATOM 933 N LEU A 103 -5.917 5.987 5.909 1.00 54.34 N ATOM 934 CA LEU A 103 -6.933 6.516 6.831 1.00 62.33 C ATOM 935 C LEU A 103 -7.291 7.985 6.537 1.00 53.40 C ATOM 936 O LEU A 103 -8.357 8.457 6.944 1.00 14.11 O ATOM 937 CB LEU A 103 -6.520 6.288 8.294 1.00 74.43 C ATOM 938 CG LEU A 103 -5.175 6.911 8.725 1.00 10.21 C ATOM 939 CD1 LEU A 103 -5.286 8.376 9.165 1.00 3.34 C ATOM 940 CD2 LEU A 103 -4.581 6.085 9.873 1.00 1.43 C ATOM 0 H LEU A 103 -5.070 5.660 6.373 1.00 54.34 H new ATOM 0 HA LEU A 103 -7.851 5.953 6.662 1.00 62.33 H new ATOM 0 HB2 LEU A 103 -7.304 6.686 8.938 1.00 74.43 H new ATOM 0 HB3 LEU A 103 -6.474 5.214 8.474 1.00 74.43 H new ATOM 0 HG LEU A 103 -4.529 6.896 7.847 1.00 10.21 H new ATOM 0 HD11 LEU A 103 -4.302 8.745 9.453 1.00 3.34 H new ATOM 0 HD12 LEU A 103 -5.671 8.975 8.340 1.00 3.34 H new ATOM 0 HD13 LEU A 103 -5.964 8.450 10.015 1.00 3.34 H new ATOM 0 HD21 LEU A 103 -3.631 6.521 10.181 1.00 1.43 H new ATOM 0 HD22 LEU A 103 -5.271 6.086 10.717 1.00 1.43 H new ATOM 0 HD23 LEU A 103 -4.419 5.061 9.538 1.00 1.43 H new ATOM 952 N ARG A 104 -6.411 8.721 5.848 1.00 71.43 N ATOM 953 CA ARG A 104 -6.613 10.119 5.451 1.00 33.20 C ATOM 954 C ARG A 104 -7.462 10.172 4.166 1.00 20.21 C ATOM 955 O ARG A 104 -7.969 11.236 3.808 1.00 23.41 O ATOM 956 CB ARG A 104 -5.226 10.810 5.274 1.00 64.13 C ATOM 957 CG ARG A 104 -4.975 11.444 3.888 1.00 45.13 C ATOM 958 CD ARG A 104 -3.531 11.724 3.498 1.00 2.14 C ATOM 959 NE ARG A 104 -2.943 12.834 4.225 1.00 34.13 N ATOM 960 CZ ARG A 104 -1.736 13.346 3.958 1.00 53.33 C ATOM 961 NH1 ARG A 104 -1.006 12.905 2.934 1.00 4.11 N ATOM 962 NH2 ARG A 104 -1.261 14.332 4.707 1.00 22.11 N ATOM 0 H ARG A 104 -5.512 8.349 5.542 1.00 71.43 H new ATOM 0 HA ARG A 104 -7.157 10.662 6.224 1.00 33.20 H new ATOM 0 HB2 ARG A 104 -5.126 11.586 6.033 1.00 64.13 H new ATOM 0 HB3 ARG A 104 -4.445 10.074 5.465 1.00 64.13 H new ATOM 0 HG2 ARG A 104 -5.406 10.786 3.133 1.00 45.13 H new ATOM 0 HG3 ARG A 104 -5.525 12.384 3.843 1.00 45.13 H new ATOM 0 HD2 ARG A 104 -2.935 10.828 3.673 1.00 2.14 H new ATOM 0 HD3 ARG A 104 -3.485 11.934 2.429 1.00 2.14 H new ATOM 0 HE ARG A 104 -3.482 13.249 4.985 1.00 34.13 H new ATOM 0 HH11 ARG A 104 -1.365 12.162 2.334 1.00 4.11 H new ATOM 0 HH12 ARG A 104 -0.088 13.311 2.750 1.00 4.11 H new ATOM 0 HH21 ARG A 104 -1.815 14.696 5.482 1.00 22.11 H new ATOM 0 HH22 ARG A 104 -0.341 14.726 4.508 1.00 22.11 H new ATOM 976 N GLY A 105 -7.588 9.054 3.447 1.00 20.24 N ATOM 977 CA GLY A 105 -8.325 8.956 2.199 1.00 2.40 C ATOM 978 C GLY A 105 -7.459 9.492 1.059 1.00 11.41 C ATOM 979 O GLY A 105 -8.000 10.009 0.085 1.00 71.32 O ATOM 0 H GLY A 105 -7.165 8.170 3.731 1.00 20.24 H new ATOM 0 HA2 GLY A 105 -8.600 7.919 2.006 1.00 2.40 H new ATOM 0 HA3 GLY A 105 -9.253 9.525 2.265 1.00 2.40 H new ATOM 983 N ASP A 106 -6.125 9.391 1.186 1.00 42.04 N ATOM 984 CA ASP A 106 -5.133 9.869 0.216 1.00 13.21 C ATOM 985 C ASP A 106 -5.278 9.174 -1.150 1.00 73.02 C ATOM 986 O ASP A 106 -6.113 8.285 -1.336 1.00 45.44 O ATOM 987 CB ASP A 106 -3.696 9.646 0.736 1.00 53.02 C ATOM 988 CG ASP A 106 -2.700 10.725 0.284 1.00 62.22 C ATOM 989 OD1 ASP A 106 -2.930 11.371 -0.765 1.00 55.03 O ATOM 990 OD2 ASP A 106 -1.727 10.974 1.031 1.00 2.01 O ATOM 0 H ASP A 106 -5.694 8.956 2.002 1.00 42.04 H new ATOM 0 HA ASP A 106 -5.318 10.935 0.088 1.00 13.21 H new ATOM 0 HB2 ASP A 106 -3.714 9.615 1.825 1.00 53.02 H new ATOM 0 HB3 ASP A 106 -3.343 8.673 0.395 1.00 53.02 H new ATOM 995 N GLU A 107 -4.469 9.563 -2.129 1.00 54.31 N ATOM 996 CA GLU A 107 -4.458 8.991 -3.464 1.00 71.25 C ATOM 997 C GLU A 107 -3.728 7.657 -3.426 1.00 61.23 C ATOM 998 O GLU A 107 -2.699 7.538 -2.758 1.00 0.12 O ATOM 999 CB GLU A 107 -3.701 9.909 -4.423 1.00 42.02 C ATOM 1000 CG GLU A 107 -4.418 11.238 -4.670 1.00 3.44 C ATOM 1001 CD GLU A 107 -3.708 12.000 -5.783 1.00 73.21 C ATOM 1002 OE1 GLU A 107 -3.642 11.460 -6.917 1.00 34.34 O ATOM 1003 OE2 GLU A 107 -3.251 13.147 -5.566 1.00 45.42 O ATOM 0 H GLU A 107 -3.783 10.308 -2.009 1.00 54.31 H new ATOM 0 HA GLU A 107 -5.487 8.866 -3.801 1.00 71.25 H new ATOM 0 HB2 GLU A 107 -2.708 10.108 -4.019 1.00 42.02 H new ATOM 0 HB3 GLU A 107 -3.561 9.396 -5.374 1.00 42.02 H new ATOM 0 HG2 GLU A 107 -5.457 11.057 -4.944 1.00 3.44 H new ATOM 0 HG3 GLU A 107 -4.428 11.833 -3.757 1.00 3.44 H new ATOM 1010 N PHE A 108 -4.260 6.661 -4.133 1.00 33.21 N ATOM 1011 CA PHE A 108 -3.663 5.339 -4.219 1.00 24.45 C ATOM 1012 C PHE A 108 -3.710 4.953 -5.686 1.00 33.24 C ATOM 1013 O PHE A 108 -4.770 4.619 -6.222 1.00 53.21 O ATOM 1014 CB PHE A 108 -4.414 4.325 -3.343 1.00 12.03 C ATOM 1015 CG PHE A 108 -3.968 4.319 -1.898 1.00 50.21 C ATOM 1016 CD1 PHE A 108 -4.360 5.347 -1.026 1.00 41.00 C ATOM 1017 CD2 PHE A 108 -3.117 3.302 -1.436 1.00 4.43 C ATOM 1018 CE1 PHE A 108 -3.874 5.383 0.288 1.00 75.45 C ATOM 1019 CE2 PHE A 108 -2.644 3.322 -0.115 1.00 21.13 C ATOM 1020 CZ PHE A 108 -3.022 4.364 0.746 1.00 32.43 C ATOM 0 H PHE A 108 -5.125 6.755 -4.665 1.00 33.21 H new ATOM 0 HA PHE A 108 -2.638 5.344 -3.848 1.00 24.45 H new ATOM 0 HB2 PHE A 108 -5.481 4.544 -3.383 1.00 12.03 H new ATOM 0 HB3 PHE A 108 -4.277 3.327 -3.760 1.00 12.03 H new ATOM 0 HD1 PHE A 108 -5.039 6.113 -1.369 1.00 41.00 H new ATOM 0 HD2 PHE A 108 -2.825 2.502 -2.100 1.00 4.43 H new ATOM 0 HE1 PHE A 108 -4.154 6.192 0.947 1.00 75.45 H new ATOM 0 HE2 PHE A 108 -1.991 2.538 0.238 1.00 21.13 H new ATOM 0 HZ PHE A 108 -2.657 4.383 1.762 1.00 32.43 H new ATOM 1030 N SER A 109 -2.555 4.938 -6.328 1.00 2.52 N ATOM 1031 CA SER A 109 -2.422 4.587 -7.734 1.00 41.21 C ATOM 1032 C SER A 109 -2.164 3.085 -7.872 1.00 13.52 C ATOM 1033 O SER A 109 -2.077 2.368 -6.870 1.00 21.45 O ATOM 1034 CB SER A 109 -1.291 5.430 -8.344 1.00 73.15 C ATOM 1035 OG SER A 109 -1.546 6.807 -8.125 1.00 51.21 O ATOM 0 H SER A 109 -1.668 5.173 -5.881 1.00 2.52 H new ATOM 0 HA SER A 109 -3.342 4.804 -8.276 1.00 41.21 H new ATOM 0 HB2 SER A 109 -0.336 5.152 -7.897 1.00 73.15 H new ATOM 0 HB3 SER A 109 -1.213 5.231 -9.413 1.00 73.15 H new ATOM 0 HG SER A 109 -0.821 7.340 -8.514 1.00 51.21 H new ATOM 1041 N PHE A 110 -2.077 2.587 -9.104 1.00 12.24 N ATOM 1042 CA PHE A 110 -1.818 1.181 -9.384 1.00 32.35 C ATOM 1043 C PHE A 110 -0.394 1.064 -9.943 1.00 70.15 C ATOM 1044 O PHE A 110 0.112 2.028 -10.520 1.00 41.11 O ATOM 1045 CB PHE A 110 -2.883 0.615 -10.332 1.00 0.24 C ATOM 1046 CG PHE A 110 -4.229 0.347 -9.678 1.00 5.43 C ATOM 1047 CD1 PHE A 110 -5.137 1.405 -9.503 1.00 70.14 C ATOM 1048 CD2 PHE A 110 -4.591 -0.954 -9.273 1.00 30.54 C ATOM 1049 CE1 PHE A 110 -6.414 1.168 -8.970 1.00 42.10 C ATOM 1050 CE2 PHE A 110 -5.877 -1.196 -8.756 1.00 32.40 C ATOM 1051 CZ PHE A 110 -6.789 -0.137 -8.605 1.00 62.12 C ATOM 0 H PHE A 110 -2.186 3.157 -9.943 1.00 12.24 H new ATOM 0 HA PHE A 110 -1.883 0.583 -8.475 1.00 32.35 H new ATOM 0 HB2 PHE A 110 -3.026 1.314 -11.156 1.00 0.24 H new ATOM 0 HB3 PHE A 110 -2.511 -0.314 -10.763 1.00 0.24 H new ATOM 0 HD1 PHE A 110 -4.850 2.409 -9.781 1.00 70.14 H new ATOM 0 HD2 PHE A 110 -3.882 -1.764 -9.360 1.00 30.54 H new ATOM 0 HE1 PHE A 110 -7.107 1.986 -8.841 1.00 42.10 H new ATOM 0 HE2 PHE A 110 -6.164 -2.198 -8.474 1.00 32.40 H new ATOM 0 HZ PHE A 110 -7.776 -0.325 -8.209 1.00 62.12 H new ATOM 1061 N PRO A 111 0.267 -0.090 -9.783 1.00 72.13 N ATOM 1062 CA PRO A 111 1.628 -0.288 -10.270 1.00 74.22 C ATOM 1063 C PRO A 111 1.715 -0.380 -11.800 1.00 2.51 C ATOM 1064 O PRO A 111 0.710 -0.642 -12.468 1.00 63.14 O ATOM 1065 CB PRO A 111 2.102 -1.594 -9.629 1.00 31.25 C ATOM 1066 CG PRO A 111 0.816 -2.332 -9.268 1.00 20.34 C ATOM 1067 CD PRO A 111 -0.251 -1.271 -9.115 1.00 40.43 C ATOM 0 HA PRO A 111 2.250 0.566 -10.002 1.00 74.22 H new ATOM 0 HB2 PRO A 111 2.713 -2.176 -10.319 1.00 31.25 H new ATOM 0 HB3 PRO A 111 2.712 -1.404 -8.746 1.00 31.25 H new ATOM 0 HG2 PRO A 111 0.546 -3.046 -10.046 1.00 20.34 H new ATOM 0 HG3 PRO A 111 0.938 -2.897 -8.344 1.00 20.34 H new ATOM 0 HD2 PRO A 111 -1.190 -1.594 -9.564 1.00 40.43 H new ATOM 0 HD3 PRO A 111 -0.453 -1.068 -8.063 1.00 40.43 H new ATOM 1075 N PRO A 112 2.925 -0.217 -12.370 1.00 1.11 N ATOM 1076 CA PRO A 112 3.130 -0.309 -13.805 1.00 61.55 C ATOM 1077 C PRO A 112 2.834 -1.749 -14.206 1.00 2.00 C ATOM 1078 O PRO A 112 3.337 -2.691 -13.587 1.00 40.54 O ATOM 1079 CB PRO A 112 4.585 0.091 -14.061 1.00 51.41 C ATOM 1080 CG PRO A 112 5.278 -0.208 -12.734 1.00 32.43 C ATOM 1081 CD PRO A 112 4.186 0.085 -11.705 1.00 63.25 C ATOM 0 HA PRO A 112 2.483 0.343 -14.391 1.00 61.55 H new ATOM 0 HB2 PRO A 112 5.021 -0.483 -14.879 1.00 51.41 H new ATOM 0 HB3 PRO A 112 4.670 1.144 -14.329 1.00 51.41 H new ATOM 0 HG2 PRO A 112 5.617 -1.242 -12.680 1.00 32.43 H new ATOM 0 HG3 PRO A 112 6.154 0.423 -12.584 1.00 32.43 H new ATOM 0 HD2 PRO A 112 4.314 -0.528 -10.813 1.00 63.25 H new ATOM 0 HD3 PRO A 112 4.220 1.126 -11.384 1.00 63.25 H new ATOM 1089 N GLY A 113 2.029 -1.938 -15.244 1.00 51.45 N ATOM 1090 CA GLY A 113 1.643 -3.251 -15.720 1.00 42.41 C ATOM 1091 C GLY A 113 0.212 -3.599 -15.341 1.00 71.44 C ATOM 1092 O GLY A 113 -0.266 -4.633 -15.801 1.00 51.34 O ATOM 0 H GLY A 113 1.624 -1.172 -15.782 1.00 51.45 H new ATOM 0 HA2 GLY A 113 1.750 -3.289 -16.804 1.00 42.41 H new ATOM 0 HA3 GLY A 113 2.319 -3.999 -15.307 1.00 42.41 H new ATOM 1096 N PHE A 114 -0.446 -2.809 -14.486 1.00 14.23 N ATOM 1097 CA PHE A 114 -1.833 -3.045 -14.097 1.00 12.44 C ATOM 1098 C PHE A 114 -2.769 -2.375 -15.109 1.00 45.55 C ATOM 1099 O PHE A 114 -3.911 -2.800 -15.290 1.00 20.10 O ATOM 1100 CB PHE A 114 -2.078 -2.513 -12.688 1.00 1.42 C ATOM 1101 CG PHE A 114 -3.473 -2.835 -12.198 1.00 13.40 C ATOM 1102 CD1 PHE A 114 -3.749 -4.093 -11.633 1.00 33.04 C ATOM 1103 CD2 PHE A 114 -4.509 -1.901 -12.367 1.00 63.23 C ATOM 1104 CE1 PHE A 114 -5.045 -4.395 -11.183 1.00 35.40 C ATOM 1105 CE2 PHE A 114 -5.805 -2.204 -11.908 1.00 21.52 C ATOM 1106 CZ PHE A 114 -6.074 -3.446 -11.306 1.00 12.11 C ATOM 0 H PHE A 114 -0.029 -1.989 -14.046 1.00 14.23 H new ATOM 0 HA PHE A 114 -2.035 -4.116 -14.093 1.00 12.44 H new ATOM 0 HB2 PHE A 114 -1.345 -2.943 -12.005 1.00 1.42 H new ATOM 0 HB3 PHE A 114 -1.929 -1.433 -12.677 1.00 1.42 H new ATOM 0 HD1 PHE A 114 -2.963 -4.828 -11.545 1.00 33.04 H new ATOM 0 HD2 PHE A 114 -4.312 -0.954 -12.847 1.00 63.23 H new ATOM 0 HE1 PHE A 114 -5.251 -5.359 -10.741 1.00 35.40 H new ATOM 0 HE2 PHE A 114 -6.597 -1.478 -12.019 1.00 21.52 H new ATOM 0 HZ PHE A 114 -7.065 -3.669 -10.940 1.00 12.11 H new ATOM 1116 N GLU A 115 -2.298 -1.298 -15.737 1.00 52.41 N ATOM 1117 CA GLU A 115 -3.020 -0.552 -16.752 1.00 51.23 C ATOM 1118 C GLU A 115 -2.564 -1.177 -18.062 1.00 73.12 C ATOM 1119 O GLU A 115 -1.773 -0.552 -18.809 1.00 32.44 O ATOM 1120 CB GLU A 115 -2.732 0.956 -16.617 1.00 55.35 C ATOM 1121 CG GLU A 115 -3.136 1.552 -15.253 1.00 4.01 C ATOM 1122 CD GLU A 115 -4.653 1.673 -15.029 1.00 75.31 C ATOM 1123 OE1 GLU A 115 -5.428 0.717 -15.245 1.00 0.25 O ATOM 1124 OE2 GLU A 115 -5.099 2.748 -14.558 1.00 21.43 O ATOM 0 H GLU A 115 -1.373 -0.913 -15.543 1.00 52.41 H new ATOM 0 HA GLU A 115 -4.105 -0.611 -16.670 1.00 51.23 H new ATOM 0 HB2 GLU A 115 -1.667 1.128 -16.776 1.00 55.35 H new ATOM 0 HB3 GLU A 115 -3.262 1.489 -17.406 1.00 55.35 H new ATOM 0 HG2 GLU A 115 -2.714 0.933 -14.462 1.00 4.01 H new ATOM 0 HG3 GLU A 115 -2.688 2.541 -15.157 1.00 4.01 H new TER 1131 GLU A 115