USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 596 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 75 TYR OH : rot 54:sc= -0.446 USER MOD Set 1.2: A 79 HIS : no HE2:sc= -1.39 K(o=-1.8,f=-2.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.19 F(o=-1.2,f=-0.19) USER MOD Single : A 12 LYS NZ :NH3+ -163:sc= -0.0769 (180deg=-0.204) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.68 K(o=-2.7,f=-4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.302 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -17:sc= 0.371 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0973 USER MOD Single : A 65 LYS NZ :NH3+ -110:sc= 0.0369 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 70 GLN : amide:sc= -2.17 X(o=-2.2,f=-2.4) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.44 F(o=-2.9!,f=-1.4) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.85 K(o=-1.9,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.506 1.018 -0.779 1.00 22.25 N ATOM 2 CA GLY A 1 1.776 0.354 -0.551 1.00 5.24 C ATOM 3 C GLY A 1 2.961 1.233 -0.901 1.00 32.01 C ATOM 4 O GLY A 1 3.155 2.291 -0.302 1.00 41.54 O ATOM 0 H1 GLY A 1 -0.272 0.376 -0.525 1.00 22.25 H new ATOM 0 H2 GLY A 1 0.453 1.876 -0.193 1.00 22.25 H new ATOM 0 H3 GLY A 1 0.426 1.279 -1.783 1.00 22.25 H new ATOM 0 HA2 GLY A 1 1.844 0.057 0.496 1.00 5.24 H new ATOM 0 HA3 GLY A 1 1.817 -0.559 -1.145 1.00 5.24 H new ATOM 8 N ILE A 2 3.755 0.794 -1.871 1.00 61.42 N ATOM 9 CA ILE A 2 4.927 1.548 -2.299 1.00 73.21 C ATOM 10 C ILE A 2 4.674 2.247 -3.630 1.00 40.53 C ATOM 11 O ILE A 2 4.166 1.657 -4.584 1.00 13.04 O ATOM 12 CB ILE A 2 6.162 0.639 -2.436 1.00 63.32 C ATOM 13 CG1 ILE A 2 6.440 -0.084 -1.116 1.00 75.14 C ATOM 14 CG2 ILE A 2 7.374 1.453 -2.865 1.00 72.22 C ATOM 15 CD1 ILE A 2 7.431 -1.219 -1.246 1.00 31.31 C ATOM 0 H ILE A 2 3.608 -0.080 -2.376 1.00 61.42 H new ATOM 0 HA ILE A 2 5.120 2.295 -1.529 1.00 73.21 H new ATOM 0 HB ILE A 2 5.960 -0.109 -3.203 1.00 63.32 H new ATOM 0 HG12 ILE A 2 6.817 0.636 -0.389 1.00 75.14 H new ATOM 0 HG13 ILE A 2 5.502 -0.475 -0.721 1.00 75.14 H new ATOM 0 HG21 ILE A 2 8.239 0.796 -2.957 1.00 72.22 H new ATOM 0 HG22 ILE A 2 7.173 1.926 -3.826 1.00 72.22 H new ATOM 0 HG23 ILE A 2 7.579 2.221 -2.119 1.00 72.22 H new ATOM 0 HD11 ILE A 2 7.580 -1.686 -0.272 1.00 31.31 H new ATOM 0 HD12 ILE A 2 7.047 -1.959 -1.948 1.00 31.31 H new ATOM 0 HD13 ILE A 2 8.382 -0.832 -1.612 1.00 31.31 H new ATOM 27 N PRO A 3 5.039 3.536 -3.700 1.00 15.42 N ATOM 28 CA PRO A 3 4.863 4.344 -4.910 1.00 43.44 C ATOM 29 C PRO A 3 5.802 3.917 -6.034 1.00 32.24 C ATOM 30 O PRO A 3 6.654 3.047 -5.847 1.00 40.22 O ATOM 31 CB PRO A 3 5.201 5.762 -4.442 1.00 54.23 C ATOM 32 CG PRO A 3 6.105 5.570 -3.274 1.00 14.51 C ATOM 33 CD PRO A 3 5.650 4.304 -2.602 1.00 43.12 C ATOM 0 HA PRO A 3 3.860 4.244 -5.324 1.00 43.44 H new ATOM 0 HB2 PRO A 3 5.690 6.333 -5.231 1.00 54.23 H new ATOM 0 HB3 PRO A 3 4.302 6.311 -4.161 1.00 54.23 H new ATOM 0 HG2 PRO A 3 7.144 5.490 -3.594 1.00 14.51 H new ATOM 0 HG3 PRO A 3 6.046 6.417 -2.591 1.00 14.51 H new ATOM 0 HD2 PRO A 3 6.484 3.766 -2.151 1.00 43.12 H new ATOM 0 HD3 PRO A 3 4.934 4.507 -1.806 1.00 43.12 H new ATOM 41 N LEU A 4 5.641 4.533 -7.199 1.00 73.04 N ATOM 42 CA LEU A 4 6.475 4.216 -8.354 1.00 13.43 C ATOM 43 C LEU A 4 7.642 5.192 -8.466 1.00 53.04 C ATOM 44 O LEU A 4 8.131 5.466 -9.562 1.00 52.42 O ATOM 45 CB LEU A 4 5.640 4.251 -9.635 1.00 43.24 C ATOM 46 CG LEU A 4 4.151 3.946 -9.475 1.00 73.10 C ATOM 47 CD1 LEU A 4 3.437 4.052 -10.814 1.00 30.52 C ATOM 48 CD2 LEU A 4 3.952 2.564 -8.870 1.00 74.20 C ATOM 0 H LEU A 4 4.941 5.255 -7.370 1.00 73.04 H new ATOM 0 HA LEU A 4 6.877 3.212 -8.218 1.00 13.43 H new ATOM 0 HB2 LEU A 4 5.742 5.239 -10.084 1.00 43.24 H new ATOM 0 HB3 LEU A 4 6.063 3.535 -10.340 1.00 43.24 H new ATOM 0 HG LEU A 4 3.720 4.683 -8.798 1.00 73.10 H new ATOM 0 HD11 LEU A 4 2.378 3.831 -10.680 1.00 30.52 H new ATOM 0 HD12 LEU A 4 3.550 5.062 -11.208 1.00 30.52 H new ATOM 0 HD13 LEU A 4 3.870 3.339 -11.515 1.00 30.52 H new ATOM 0 HD21 LEU A 4 2.886 2.364 -8.763 1.00 74.20 H new ATOM 0 HD22 LEU A 4 4.399 1.814 -9.522 1.00 74.20 H new ATOM 0 HD23 LEU A 4 4.429 2.524 -7.891 1.00 74.20 H new ATOM 60 N SER A 5 8.085 5.711 -7.326 1.00 15.33 N ATOM 61 CA SER A 5 9.193 6.658 -7.296 1.00 65.33 C ATOM 62 C SER A 5 10.262 6.211 -6.303 1.00 44.35 C ATOM 63 O SER A 5 11.458 6.347 -6.559 1.00 50.33 O ATOM 64 CB SER A 5 8.690 8.054 -6.927 1.00 50.42 C ATOM 65 OG SER A 5 8.149 8.717 -8.057 1.00 64.24 O ATOM 0 H SER A 5 7.693 5.492 -6.410 1.00 15.33 H new ATOM 0 HA SER A 5 9.637 6.692 -8.291 1.00 65.33 H new ATOM 0 HB2 SER A 5 7.931 7.976 -6.149 1.00 50.42 H new ATOM 0 HB3 SER A 5 9.510 8.642 -6.515 1.00 50.42 H new ATOM 0 HG SER A 5 7.833 9.607 -7.794 1.00 64.24 H new ATOM 71 N ASN A 6 9.821 5.677 -5.169 1.00 4.50 N ATOM 72 CA ASN A 6 10.739 5.211 -4.136 1.00 44.02 C ATOM 73 C ASN A 6 11.629 4.090 -4.665 1.00 34.32 C ATOM 74 O ASN A 6 12.855 4.174 -4.600 1.00 44.13 O ATOM 75 CB ASN A 6 9.959 4.725 -2.913 1.00 63.20 C ATOM 76 CG ASN A 6 10.807 4.708 -1.656 1.00 1.43 C ATOM 77 OD1 ASN A 6 11.596 3.654 -1.488 1.00 12.30 O flip ATOM 78 ND2 ASN A 6 10.753 5.633 -0.845 1.00 64.33 N flip ATOM 0 H ASN A 6 8.834 5.556 -4.942 1.00 4.50 H new ATOM 0 HA ASN A 6 11.374 6.048 -3.844 1.00 44.02 H new ATOM 0 HB2 ASN A 6 9.095 5.371 -2.756 1.00 63.20 H new ATOM 0 HB3 ASN A 6 9.577 3.722 -3.104 1.00 63.20 H new ATOM 0 HD21 ASN A 6 10.132 6.424 -1.014 1.00 64.33 H new ATOM 0 HD22 ASN A 6 11.329 5.608 -0.004 1.00 64.33 H new ATOM 85 N ILE A 7 11.001 3.041 -5.188 1.00 5.43 N ATOM 86 CA ILE A 7 11.736 1.905 -5.729 1.00 33.51 C ATOM 87 C ILE A 7 12.794 2.359 -6.728 1.00 4.01 C ATOM 88 O ILE A 7 13.925 1.874 -6.712 1.00 71.32 O ATOM 89 CB ILE A 7 10.792 0.902 -6.419 1.00 20.33 C ATOM 90 CG1 ILE A 7 9.853 0.263 -5.393 1.00 64.11 C ATOM 91 CG2 ILE A 7 11.595 -0.166 -7.147 1.00 54.24 C ATOM 92 CD1 ILE A 7 8.541 -0.204 -5.983 1.00 40.52 C ATOM 0 H ILE A 7 9.986 2.955 -5.248 1.00 5.43 H new ATOM 0 HA ILE A 7 12.223 1.414 -4.886 1.00 33.51 H new ATOM 0 HB ILE A 7 10.189 1.438 -7.152 1.00 20.33 H new ATOM 0 HG12 ILE A 7 10.357 -0.586 -4.931 1.00 64.11 H new ATOM 0 HG13 ILE A 7 9.650 0.983 -4.600 1.00 64.11 H new ATOM 0 HG21 ILE A 7 10.914 -0.867 -7.630 1.00 54.24 H new ATOM 0 HG22 ILE A 7 12.226 0.304 -7.901 1.00 54.24 H new ATOM 0 HG23 ILE A 7 12.221 -0.701 -6.433 1.00 54.24 H new ATOM 0 HD11 ILE A 7 7.926 -0.646 -5.199 1.00 40.52 H new ATOM 0 HD12 ILE A 7 8.016 0.645 -6.420 1.00 40.52 H new ATOM 0 HD13 ILE A 7 8.734 -0.948 -6.756 1.00 40.52 H new ATOM 104 N GLU A 8 12.419 3.295 -7.595 1.00 25.15 N ATOM 105 CA GLU A 8 13.338 3.816 -8.600 1.00 70.43 C ATOM 106 C GLU A 8 14.642 4.279 -7.958 1.00 2.31 C ATOM 107 O GLU A 8 15.720 3.795 -8.300 1.00 24.11 O ATOM 108 CB GLU A 8 12.692 4.975 -9.362 1.00 74.50 C ATOM 109 CG GLU A 8 13.435 5.359 -10.630 1.00 41.40 C ATOM 110 CD GLU A 8 12.553 6.087 -11.626 1.00 34.41 C ATOM 111 OE1 GLU A 8 11.544 5.497 -12.066 1.00 54.52 O ATOM 112 OE2 GLU A 8 12.872 7.246 -11.964 1.00 74.35 O ATOM 0 H GLU A 8 11.486 3.707 -7.621 1.00 25.15 H new ATOM 0 HA GLU A 8 13.564 3.011 -9.300 1.00 70.43 H new ATOM 0 HB2 GLU A 8 11.668 4.704 -9.619 1.00 74.50 H new ATOM 0 HB3 GLU A 8 12.637 5.844 -8.706 1.00 74.50 H new ATOM 0 HG2 GLU A 8 14.284 5.992 -10.372 1.00 41.40 H new ATOM 0 HG3 GLU A 8 13.838 4.460 -11.097 1.00 41.40 H new ATOM 119 N GLU A 9 14.534 5.221 -7.026 1.00 11.20 N ATOM 120 CA GLU A 9 15.705 5.751 -6.337 1.00 53.30 C ATOM 121 C GLU A 9 16.445 4.644 -5.592 1.00 42.40 C ATOM 122 O GLU A 9 17.675 4.589 -5.603 1.00 50.33 O ATOM 123 CB GLU A 9 15.293 6.853 -5.358 1.00 74.31 C ATOM 124 CG GLU A 9 16.417 7.304 -4.441 1.00 42.35 C ATOM 125 CD GLU A 9 17.674 7.679 -5.202 1.00 5.43 C ATOM 126 OE1 GLU A 9 17.551 8.243 -6.309 1.00 42.04 O ATOM 127 OE2 GLU A 9 18.781 7.409 -4.690 1.00 11.42 O ATOM 0 H GLU A 9 13.648 5.632 -6.731 1.00 11.20 H new ATOM 0 HA GLU A 9 16.376 6.172 -7.086 1.00 53.30 H new ATOM 0 HB2 GLU A 9 14.930 7.712 -5.923 1.00 74.31 H new ATOM 0 HB3 GLU A 9 14.461 6.496 -4.751 1.00 74.31 H new ATOM 0 HG2 GLU A 9 16.082 8.160 -3.855 1.00 42.35 H new ATOM 0 HG3 GLU A 9 16.648 6.506 -3.735 1.00 42.35 H new ATOM 134 N ARG A 10 15.687 3.765 -4.945 1.00 41.20 N ATOM 135 CA ARG A 10 16.270 2.661 -4.193 1.00 65.30 C ATOM 136 C ARG A 10 17.114 1.770 -5.101 1.00 12.31 C ATOM 137 O ARG A 10 18.333 1.688 -4.949 1.00 52.11 O ATOM 138 CB ARG A 10 15.171 1.832 -3.527 1.00 15.00 C ATOM 139 CG ARG A 10 14.455 2.562 -2.402 1.00 21.42 C ATOM 140 CD ARG A 10 15.020 2.180 -1.043 1.00 3.14 C ATOM 141 NE ARG A 10 16.418 2.579 -0.899 1.00 51.14 N ATOM 142 CZ ARG A 10 16.802 3.809 -0.577 1.00 54.43 C ATOM 143 NH1 ARG A 10 15.897 4.755 -0.366 1.00 1.44 N ATOM 144 NH2 ARG A 10 18.093 4.095 -0.466 1.00 15.22 N ATOM 0 H ARG A 10 14.668 3.796 -4.927 1.00 41.20 H new ATOM 0 HA ARG A 10 16.916 3.081 -3.422 1.00 65.30 H new ATOM 0 HB2 ARG A 10 14.441 1.539 -4.281 1.00 15.00 H new ATOM 0 HB3 ARG A 10 15.608 0.914 -3.133 1.00 15.00 H new ATOM 0 HG2 ARG A 10 14.549 3.638 -2.547 1.00 21.42 H new ATOM 0 HG3 ARG A 10 13.391 2.328 -2.434 1.00 21.42 H new ATOM 0 HD2 ARG A 10 14.426 2.650 -0.259 1.00 3.14 H new ATOM 0 HD3 ARG A 10 14.935 1.102 -0.905 1.00 3.14 H new ATOM 0 HE ARG A 10 17.139 1.874 -1.054 1.00 51.14 H new ATOM 0 HH11 ARG A 10 14.904 4.539 -0.451 1.00 1.44 H new ATOM 0 HH12 ARG A 10 16.194 5.699 -0.119 1.00 1.44 H new ATOM 0 HH21 ARG A 10 18.792 3.370 -0.628 1.00 15.22 H new ATOM 0 HH22 ARG A 10 18.387 5.040 -0.219 1.00 15.22 H new ATOM 158 N VAL A 11 16.456 1.105 -6.045 1.00 21.51 N ATOM 159 CA VAL A 11 17.145 0.221 -6.978 1.00 32.42 C ATOM 160 C VAL A 11 18.401 0.881 -7.535 1.00 20.32 C ATOM 161 O VAL A 11 19.473 0.275 -7.566 1.00 55.03 O ATOM 162 CB VAL A 11 16.229 -0.184 -8.148 1.00 53.00 C ATOM 163 CG1 VAL A 11 16.922 -1.200 -9.043 1.00 2.22 C ATOM 164 CG2 VAL A 11 14.910 -0.734 -7.626 1.00 53.41 C ATOM 0 H VAL A 11 15.447 1.161 -6.184 1.00 21.51 H new ATOM 0 HA VAL A 11 17.425 -0.672 -6.420 1.00 32.42 H new ATOM 0 HB VAL A 11 16.017 0.704 -8.744 1.00 53.00 H new ATOM 0 HG11 VAL A 11 16.259 -1.474 -9.864 1.00 2.22 H new ATOM 0 HG12 VAL A 11 17.837 -0.766 -9.445 1.00 2.22 H new ATOM 0 HG13 VAL A 11 17.167 -2.089 -8.462 1.00 2.22 H new ATOM 0 HG21 VAL A 11 14.275 -1.015 -8.466 1.00 53.41 H new ATOM 0 HG22 VAL A 11 15.101 -1.610 -7.006 1.00 53.41 H new ATOM 0 HG23 VAL A 11 14.408 0.029 -7.031 1.00 53.41 H new ATOM 174 N LYS A 12 18.263 2.127 -7.974 1.00 13.12 N ATOM 175 CA LYS A 12 19.386 2.872 -8.529 1.00 2.52 C ATOM 176 C LYS A 12 20.581 2.841 -7.581 1.00 63.14 C ATOM 177 O LYS A 12 21.691 2.481 -7.976 1.00 54.11 O ATOM 178 CB LYS A 12 18.978 4.322 -8.803 1.00 73.53 C ATOM 179 CG LYS A 12 18.697 4.607 -10.269 1.00 4.35 C ATOM 180 CD LYS A 12 17.340 4.070 -10.692 1.00 4.23 C ATOM 181 CE LYS A 12 17.196 4.050 -12.206 1.00 3.33 C ATOM 182 NZ LYS A 12 17.899 2.887 -12.815 1.00 2.25 N ATOM 0 H LYS A 12 17.383 2.643 -7.956 1.00 13.12 H new ATOM 0 HA LYS A 12 19.675 2.398 -9.467 1.00 2.52 H new ATOM 0 HB2 LYS A 12 18.089 4.557 -8.219 1.00 73.53 H new ATOM 0 HB3 LYS A 12 19.771 4.985 -8.458 1.00 73.53 H new ATOM 0 HG2 LYS A 12 18.735 5.682 -10.445 1.00 4.35 H new ATOM 0 HG3 LYS A 12 19.476 4.156 -10.884 1.00 4.35 H new ATOM 0 HD2 LYS A 12 17.208 3.062 -10.300 1.00 4.23 H new ATOM 0 HD3 LYS A 12 16.552 4.686 -10.259 1.00 4.23 H new ATOM 0 HE2 LYS A 12 16.139 4.014 -12.470 1.00 3.33 H new ATOM 0 HE3 LYS A 12 17.597 4.975 -12.621 1.00 3.33 H new ATOM 0 HZ1 LYS A 12 18.028 3.054 -13.833 1.00 2.25 H new ATOM 0 HZ2 LYS A 12 18.828 2.768 -12.363 1.00 2.25 H new ATOM 0 HZ3 LYS A 12 17.332 2.026 -12.674 1.00 2.25 H new ATOM 196 N LYS A 13 20.348 3.218 -6.329 1.00 53.40 N ATOM 197 CA LYS A 13 21.404 3.231 -5.324 1.00 34.14 C ATOM 198 C LYS A 13 22.091 1.872 -5.239 1.00 72.33 C ATOM 199 O LYS A 13 23.308 1.791 -5.074 1.00 23.25 O ATOM 200 CB LYS A 13 20.830 3.610 -3.956 1.00 71.14 C ATOM 201 CG LYS A 13 21.890 3.969 -2.930 1.00 64.01 C ATOM 202 CD LYS A 13 21.295 4.726 -1.755 1.00 3.41 C ATOM 203 CE LYS A 13 20.962 6.163 -2.129 1.00 21.33 C ATOM 204 NZ LYS A 13 22.026 7.110 -1.694 1.00 72.13 N ATOM 0 H LYS A 13 19.436 3.519 -5.986 1.00 53.40 H new ATOM 0 HA LYS A 13 22.144 3.975 -5.620 1.00 34.14 H new ATOM 0 HB2 LYS A 13 20.153 4.455 -4.077 1.00 71.14 H new ATOM 0 HB3 LYS A 13 20.237 2.778 -3.577 1.00 71.14 H new ATOM 0 HG2 LYS A 13 22.373 3.060 -2.571 1.00 64.01 H new ATOM 0 HG3 LYS A 13 22.663 4.576 -3.401 1.00 64.01 H new ATOM 0 HD2 LYS A 13 20.392 4.219 -1.414 1.00 3.41 H new ATOM 0 HD3 LYS A 13 21.999 4.719 -0.922 1.00 3.41 H new ATOM 0 HE2 LYS A 13 20.830 6.236 -3.209 1.00 21.33 H new ATOM 0 HE3 LYS A 13 20.014 6.447 -1.672 1.00 21.33 H new ATOM 0 HZ1 LYS A 13 21.762 8.078 -1.967 1.00 72.13 H new ATOM 0 HZ2 LYS A 13 22.135 7.059 -0.661 1.00 72.13 H new ATOM 0 HZ3 LYS A 13 22.925 6.855 -2.150 1.00 72.13 H new ATOM 218 N ILE A 14 21.304 0.808 -5.356 1.00 34.32 N ATOM 219 CA ILE A 14 21.838 -0.547 -5.295 1.00 74.33 C ATOM 220 C ILE A 14 22.868 -0.782 -6.395 1.00 14.20 C ATOM 221 O ILE A 14 24.046 -1.007 -6.118 1.00 31.44 O ATOM 222 CB ILE A 14 20.720 -1.599 -5.422 1.00 33.13 C ATOM 223 CG1 ILE A 14 19.567 -1.267 -4.472 1.00 2.13 C ATOM 224 CG2 ILE A 14 21.266 -2.990 -5.135 1.00 10.35 C ATOM 225 CD1 ILE A 14 20.021 -0.894 -3.078 1.00 4.40 C ATOM 0 H ILE A 14 20.295 0.858 -5.494 1.00 34.32 H new ATOM 0 HA ILE A 14 22.318 -0.653 -4.322 1.00 74.33 H new ATOM 0 HB ILE A 14 20.341 -1.583 -6.444 1.00 33.13 H new ATOM 0 HG12 ILE A 14 18.989 -0.443 -4.890 1.00 2.13 H new ATOM 0 HG13 ILE A 14 18.899 -2.126 -4.410 1.00 2.13 H new ATOM 0 HG21 ILE A 14 20.464 -3.722 -5.229 1.00 10.35 H new ATOM 0 HG22 ILE A 14 22.057 -3.225 -5.848 1.00 10.35 H new ATOM 0 HG23 ILE A 14 21.669 -3.021 -4.123 1.00 10.35 H new ATOM 0 HD11 ILE A 14 19.151 -0.672 -2.460 1.00 4.40 H new ATOM 0 HD12 ILE A 14 20.574 -1.725 -2.641 1.00 4.40 H new ATOM 0 HD13 ILE A 14 20.665 -0.016 -3.128 1.00 4.40 H new ATOM 237 N ILE A 15 22.416 -0.725 -7.643 1.00 74.31 N ATOM 238 CA ILE A 15 23.299 -0.929 -8.785 1.00 13.32 C ATOM 239 C ILE A 15 24.533 -0.038 -8.691 1.00 12.22 C ATOM 240 O ILE A 15 25.601 -0.384 -9.195 1.00 4.25 O ATOM 241 CB ILE A 15 22.575 -0.645 -10.114 1.00 53.12 C ATOM 242 CG1 ILE A 15 21.429 -1.638 -10.318 1.00 14.11 C ATOM 243 CG2 ILE A 15 23.555 -0.713 -11.276 1.00 15.10 C ATOM 244 CD1 ILE A 15 20.061 -1.041 -10.071 1.00 32.03 C ATOM 0 H ILE A 15 21.444 -0.539 -7.889 1.00 74.31 H new ATOM 0 HA ILE A 15 23.606 -1.975 -8.764 1.00 13.32 H new ATOM 0 HB ILE A 15 22.157 0.361 -10.075 1.00 53.12 H new ATOM 0 HG12 ILE A 15 21.470 -2.023 -11.337 1.00 14.11 H new ATOM 0 HG13 ILE A 15 21.572 -2.487 -9.650 1.00 14.11 H new ATOM 0 HG21 ILE A 15 23.028 -0.510 -12.208 1.00 15.10 H new ATOM 0 HG22 ILE A 15 24.340 0.030 -11.134 1.00 15.10 H new ATOM 0 HG23 ILE A 15 24.000 -1.707 -11.319 1.00 15.10 H new ATOM 0 HD11 ILE A 15 19.297 -1.801 -10.234 1.00 32.03 H new ATOM 0 HD12 ILE A 15 20.001 -0.681 -9.044 1.00 32.03 H new ATOM 0 HD13 ILE A 15 19.898 -0.210 -10.757 1.00 32.03 H new ATOM 256 N VAL A 16 24.378 1.111 -8.040 1.00 43.24 N ATOM 257 CA VAL A 16 25.481 2.051 -7.877 1.00 13.30 C ATOM 258 C VAL A 16 26.499 1.534 -6.867 1.00 50.11 C ATOM 259 O VAL A 16 27.688 1.430 -7.168 1.00 14.43 O ATOM 260 CB VAL A 16 24.977 3.433 -7.420 1.00 12.13 C ATOM 261 CG1 VAL A 16 26.148 4.357 -7.122 1.00 51.11 C ATOM 262 CG2 VAL A 16 24.061 4.041 -8.472 1.00 24.13 C ATOM 0 H VAL A 16 23.500 1.413 -7.617 1.00 43.24 H new ATOM 0 HA VAL A 16 25.959 2.151 -8.852 1.00 13.30 H new ATOM 0 HB VAL A 16 24.403 3.306 -6.502 1.00 12.13 H new ATOM 0 HG11 VAL A 16 25.772 5.328 -6.801 1.00 51.11 H new ATOM 0 HG12 VAL A 16 26.760 3.925 -6.331 1.00 51.11 H new ATOM 0 HG13 VAL A 16 26.752 4.481 -8.021 1.00 51.11 H new ATOM 0 HG21 VAL A 16 23.714 5.017 -8.132 1.00 24.13 H new ATOM 0 HG22 VAL A 16 24.608 4.156 -9.408 1.00 24.13 H new ATOM 0 HG23 VAL A 16 23.204 3.386 -8.630 1.00 24.13 H new ATOM 272 N GLU A 17 26.024 1.210 -5.668 1.00 52.45 N ATOM 273 CA GLU A 17 26.894 0.704 -4.614 1.00 30.12 C ATOM 274 C GLU A 17 27.575 -0.591 -5.046 1.00 23.42 C ATOM 275 O GLU A 17 28.644 -0.939 -4.544 1.00 34.42 O ATOM 276 CB GLU A 17 26.094 0.469 -3.331 1.00 30.12 C ATOM 277 CG GLU A 17 25.061 -0.639 -3.452 1.00 24.32 C ATOM 278 CD GLU A 17 24.619 -1.174 -2.104 1.00 22.24 C ATOM 279 OE1 GLU A 17 25.479 -1.304 -1.207 1.00 15.14 O ATOM 280 OE2 GLU A 17 23.415 -1.463 -1.945 1.00 72.34 O ATOM 0 H GLU A 17 25.042 1.289 -5.403 1.00 52.45 H new ATOM 0 HA GLU A 17 27.663 1.452 -4.422 1.00 30.12 H new ATOM 0 HB2 GLU A 17 26.783 0.225 -2.523 1.00 30.12 H new ATOM 0 HB3 GLU A 17 25.591 1.395 -3.052 1.00 30.12 H new ATOM 0 HG2 GLU A 17 24.192 -0.263 -3.992 1.00 24.32 H new ATOM 0 HG3 GLU A 17 25.476 -1.455 -4.044 1.00 24.32 H new ATOM 287 N GLN A 18 26.948 -1.300 -5.979 1.00 63.12 N ATOM 288 CA GLN A 18 27.493 -2.557 -6.478 1.00 22.32 C ATOM 289 C GLN A 18 28.537 -2.307 -7.561 1.00 53.44 C ATOM 290 O GLN A 18 29.632 -2.869 -7.525 1.00 41.32 O ATOM 291 CB GLN A 18 26.372 -3.441 -7.027 1.00 61.14 C ATOM 292 CG GLN A 18 25.401 -3.925 -5.962 1.00 41.44 C ATOM 293 CD GLN A 18 26.090 -4.263 -4.655 1.00 11.00 C ATOM 294 OE1 GLN A 18 25.776 -3.694 -3.609 1.00 41.31 O ATOM 295 NE2 GLN A 18 27.035 -5.194 -4.707 1.00 70.31 N ATOM 0 H GLN A 18 26.063 -1.026 -6.404 1.00 63.12 H new ATOM 0 HA GLN A 18 27.976 -3.070 -5.646 1.00 22.32 H new ATOM 0 HB2 GLN A 18 25.820 -2.884 -7.784 1.00 61.14 H new ATOM 0 HB3 GLN A 18 26.813 -4.305 -7.525 1.00 61.14 H new ATOM 0 HG2 GLN A 18 24.650 -3.156 -5.784 1.00 41.44 H new ATOM 0 HG3 GLN A 18 24.874 -4.806 -6.329 1.00 41.44 H new ATOM 0 HE21 GLN A 18 27.263 -5.640 -5.596 1.00 70.31 H new ATOM 0 HE22 GLN A 18 27.533 -5.463 -3.858 1.00 70.31 H new ATOM 304 N LEU A 19 28.190 -1.460 -8.525 1.00 22.22 N ATOM 305 CA LEU A 19 29.097 -1.135 -9.620 1.00 41.22 C ATOM 306 C LEU A 19 29.980 0.056 -9.261 1.00 21.13 C ATOM 307 O LEU A 19 31.161 -0.104 -8.957 1.00 4.35 O ATOM 308 CB LEU A 19 28.304 -0.830 -10.892 1.00 73.41 C ATOM 309 CG LEU A 19 27.913 -2.038 -11.745 1.00 23.02 C ATOM 310 CD1 LEU A 19 27.198 -3.080 -10.899 1.00 12.10 C ATOM 311 CD2 LEU A 19 27.040 -1.606 -12.913 1.00 53.35 C ATOM 0 H LEU A 19 27.288 -0.987 -8.570 1.00 22.22 H new ATOM 0 HA LEU A 19 29.738 -1.999 -9.796 1.00 41.22 H new ATOM 0 HB2 LEU A 19 27.394 -0.299 -10.611 1.00 73.41 H new ATOM 0 HB3 LEU A 19 28.892 -0.150 -11.509 1.00 73.41 H new ATOM 0 HG LEU A 19 28.823 -2.486 -12.144 1.00 23.02 H new ATOM 0 HD11 LEU A 19 26.928 -3.932 -11.523 1.00 12.10 H new ATOM 0 HD12 LEU A 19 27.857 -3.412 -10.097 1.00 12.10 H new ATOM 0 HD13 LEU A 19 26.296 -2.644 -10.470 1.00 12.10 H new ATOM 0 HD21 LEU A 19 26.772 -2.478 -13.509 1.00 53.35 H new ATOM 0 HD22 LEU A 19 26.134 -1.132 -12.535 1.00 53.35 H new ATOM 0 HD23 LEU A 19 27.588 -0.897 -13.534 1.00 53.35 H new ATOM 323 N GLY A 20 29.397 1.251 -9.296 1.00 23.50 N ATOM 324 CA GLY A 20 30.145 2.451 -8.970 1.00 21.43 C ATOM 325 C GLY A 20 29.849 3.594 -9.919 1.00 52.43 C ATOM 326 O GLY A 20 30.143 4.752 -9.620 1.00 31.23 O ATOM 0 H GLY A 20 28.420 1.409 -9.544 1.00 23.50 H new ATOM 0 HA2 GLY A 20 29.908 2.758 -7.951 1.00 21.43 H new ATOM 0 HA3 GLY A 20 31.212 2.229 -8.996 1.00 21.43 H new ATOM 330 N VAL A 21 29.266 3.271 -11.069 1.00 60.04 N ATOM 331 CA VAL A 21 28.930 4.280 -12.067 1.00 3.23 C ATOM 332 C VAL A 21 27.960 5.311 -11.501 1.00 3.05 C ATOM 333 O VAL A 21 27.572 5.239 -10.334 1.00 64.43 O ATOM 334 CB VAL A 21 28.309 3.642 -13.323 1.00 53.44 C ATOM 335 CG1 VAL A 21 29.253 2.611 -13.922 1.00 20.14 C ATOM 336 CG2 VAL A 21 26.963 3.016 -12.992 1.00 55.22 C ATOM 0 H VAL A 21 29.016 2.318 -11.333 1.00 60.04 H new ATOM 0 HA VAL A 21 29.861 4.775 -12.343 1.00 3.23 H new ATOM 0 HB VAL A 21 28.148 4.425 -14.064 1.00 53.44 H new ATOM 0 HG11 VAL A 21 28.796 2.171 -14.809 1.00 20.14 H new ATOM 0 HG12 VAL A 21 30.191 3.093 -14.198 1.00 20.14 H new ATOM 0 HG13 VAL A 21 29.450 1.828 -13.189 1.00 20.14 H new ATOM 0 HG21 VAL A 21 26.538 2.570 -13.891 1.00 55.22 H new ATOM 0 HG22 VAL A 21 27.097 2.245 -12.233 1.00 55.22 H new ATOM 0 HG23 VAL A 21 26.288 3.784 -12.614 1.00 55.22 H new ATOM 346 N ASP A 22 27.572 6.270 -12.334 1.00 33.31 N ATOM 347 CA ASP A 22 26.645 7.316 -11.917 1.00 71.33 C ATOM 348 C ASP A 22 25.199 6.856 -12.077 1.00 21.34 C ATOM 349 O ASP A 22 24.799 6.395 -13.145 1.00 40.53 O ATOM 350 CB ASP A 22 26.881 8.589 -12.731 1.00 14.22 C ATOM 351 CG ASP A 22 28.005 9.436 -12.168 1.00 14.35 C ATOM 352 OD1 ASP A 22 29.172 8.998 -12.240 1.00 40.13 O ATOM 353 OD2 ASP A 22 27.717 10.538 -11.655 1.00 21.13 O ATOM 0 H ASP A 22 27.885 6.345 -13.302 1.00 33.31 H new ATOM 0 HA ASP A 22 26.825 7.529 -10.863 1.00 71.33 H new ATOM 0 HB2 ASP A 22 27.114 8.320 -13.761 1.00 14.22 H new ATOM 0 HB3 ASP A 22 25.964 9.177 -12.755 1.00 14.22 H new ATOM 358 N GLU A 23 24.421 6.983 -11.006 1.00 25.21 N ATOM 359 CA GLU A 23 23.021 6.578 -11.028 1.00 12.04 C ATOM 360 C GLU A 23 22.288 7.218 -12.203 1.00 34.01 C ATOM 361 O GLU A 23 21.335 6.651 -12.737 1.00 61.31 O ATOM 362 CB GLU A 23 22.335 6.962 -9.715 1.00 5.24 C ATOM 363 CG GLU A 23 22.040 8.448 -9.594 1.00 62.21 C ATOM 364 CD GLU A 23 23.299 9.293 -9.574 1.00 11.13 C ATOM 365 OE1 GLU A 23 24.179 9.025 -8.729 1.00 62.13 O ATOM 366 OE2 GLU A 23 23.404 10.222 -10.401 1.00 52.22 O ATOM 0 H GLU A 23 24.737 7.363 -10.114 1.00 25.21 H new ATOM 0 HA GLU A 23 22.985 5.495 -11.145 1.00 12.04 H new ATOM 0 HB2 GLU A 23 21.401 6.406 -9.627 1.00 5.24 H new ATOM 0 HB3 GLU A 23 22.968 6.657 -8.882 1.00 5.24 H new ATOM 0 HG2 GLU A 23 21.411 8.759 -10.428 1.00 62.21 H new ATOM 0 HG3 GLU A 23 21.471 8.629 -8.682 1.00 62.21 H new ATOM 373 N ALA A 24 22.739 8.403 -12.600 1.00 12.45 N ATOM 374 CA ALA A 24 22.128 9.120 -13.712 1.00 14.43 C ATOM 375 C ALA A 24 22.305 8.358 -15.020 1.00 64.03 C ATOM 376 O ALA A 24 21.361 8.210 -15.795 1.00 62.43 O ATOM 377 CB ALA A 24 22.719 10.517 -13.828 1.00 3.40 C ATOM 0 H ALA A 24 23.526 8.887 -12.168 1.00 12.45 H new ATOM 0 HA ALA A 24 21.060 9.205 -13.514 1.00 14.43 H new ATOM 0 HB1 ALA A 24 22.253 11.041 -14.663 1.00 3.40 H new ATOM 0 HB2 ALA A 24 22.535 11.068 -12.906 1.00 3.40 H new ATOM 0 HB3 ALA A 24 23.793 10.445 -13.999 1.00 3.40 H new ATOM 383 N GLU A 25 23.522 7.878 -15.260 1.00 34.44 N ATOM 384 CA GLU A 25 23.822 7.132 -16.476 1.00 71.21 C ATOM 385 C GLU A 25 22.971 5.868 -16.563 1.00 64.24 C ATOM 386 O GLU A 25 22.643 5.401 -17.654 1.00 54.32 O ATOM 387 CB GLU A 25 25.307 6.765 -16.523 1.00 34.25 C ATOM 388 CG GLU A 25 26.188 7.864 -17.091 1.00 51.30 C ATOM 389 CD GLU A 25 26.337 7.772 -18.597 1.00 41.12 C ATOM 390 OE1 GLU A 25 25.357 7.386 -19.267 1.00 74.43 O ATOM 391 OE2 GLU A 25 27.433 8.086 -19.106 1.00 25.03 O ATOM 0 H GLU A 25 24.315 7.993 -14.629 1.00 34.44 H new ATOM 0 HA GLU A 25 23.585 7.768 -17.329 1.00 71.21 H new ATOM 0 HB2 GLU A 25 25.645 6.524 -15.515 1.00 34.25 H new ATOM 0 HB3 GLU A 25 25.431 5.864 -17.124 1.00 34.25 H new ATOM 0 HG2 GLU A 25 25.766 8.834 -16.830 1.00 51.30 H new ATOM 0 HG3 GLU A 25 27.173 7.810 -16.628 1.00 51.30 H new ATOM 398 N VAL A 26 22.619 5.318 -15.406 1.00 33.13 N ATOM 399 CA VAL A 26 21.806 4.108 -15.350 1.00 3.51 C ATOM 400 C VAL A 26 20.397 4.368 -15.871 1.00 44.32 C ATOM 401 O VAL A 26 19.658 5.181 -15.316 1.00 12.01 O ATOM 402 CB VAL A 26 21.717 3.558 -13.914 1.00 62.12 C ATOM 403 CG1 VAL A 26 21.012 2.210 -13.902 1.00 3.12 C ATOM 404 CG2 VAL A 26 23.104 3.449 -13.299 1.00 1.23 C ATOM 0 H VAL A 26 22.884 5.691 -14.494 1.00 33.13 H new ATOM 0 HA VAL A 26 22.294 3.369 -15.985 1.00 3.51 H new ATOM 0 HB VAL A 26 21.131 4.253 -13.312 1.00 62.12 H new ATOM 0 HG11 VAL A 26 20.958 1.837 -12.879 1.00 3.12 H new ATOM 0 HG12 VAL A 26 20.004 2.323 -14.300 1.00 3.12 H new ATOM 0 HG13 VAL A 26 21.568 1.503 -14.518 1.00 3.12 H new ATOM 0 HG21 VAL A 26 23.023 3.059 -12.284 1.00 1.23 H new ATOM 0 HG22 VAL A 26 23.716 2.775 -13.899 1.00 1.23 H new ATOM 0 HG23 VAL A 26 23.569 4.435 -13.272 1.00 1.23 H new ATOM 414 N LYS A 27 20.031 3.672 -16.942 1.00 10.20 N ATOM 415 CA LYS A 27 18.710 3.825 -17.539 1.00 74.11 C ATOM 416 C LYS A 27 17.814 2.641 -17.188 1.00 51.14 C ATOM 417 O LYS A 27 18.290 1.610 -16.715 1.00 75.14 O ATOM 418 CB LYS A 27 18.826 3.957 -19.059 1.00 64.13 C ATOM 419 CG LYS A 27 19.386 5.294 -19.512 1.00 52.44 C ATOM 420 CD LYS A 27 19.494 5.369 -21.026 1.00 41.52 C ATOM 421 CE LYS A 27 20.835 4.845 -21.516 1.00 22.22 C ATOM 422 NZ LYS A 27 21.153 5.329 -22.888 1.00 34.31 N ATOM 0 H LYS A 27 20.631 2.996 -17.414 1.00 10.20 H new ATOM 0 HA LYS A 27 18.260 4.732 -17.135 1.00 74.11 H new ATOM 0 HB2 LYS A 27 19.464 3.158 -19.437 1.00 64.13 H new ATOM 0 HB3 LYS A 27 17.841 3.816 -19.504 1.00 64.13 H new ATOM 0 HG2 LYS A 27 18.745 6.099 -19.152 1.00 52.44 H new ATOM 0 HG3 LYS A 27 20.370 5.447 -19.068 1.00 52.44 H new ATOM 0 HD2 LYS A 27 18.689 4.790 -21.478 1.00 41.52 H new ATOM 0 HD3 LYS A 27 19.365 6.402 -21.350 1.00 41.52 H new ATOM 0 HE2 LYS A 27 21.621 5.160 -20.829 1.00 22.22 H new ATOM 0 HE3 LYS A 27 20.823 3.755 -21.509 1.00 22.22 H new ATOM 0 HZ1 LYS A 27 22.075 4.950 -23.185 1.00 34.31 H new ATOM 0 HZ2 LYS A 27 20.417 5.008 -23.549 1.00 34.31 H new ATOM 0 HZ3 LYS A 27 21.190 6.368 -22.890 1.00 34.31 H new ATOM 436 N ASN A 28 16.515 2.797 -17.425 1.00 63.20 N ATOM 437 CA ASN A 28 15.553 1.740 -17.135 1.00 24.32 C ATOM 438 C ASN A 28 15.604 0.651 -18.202 1.00 34.51 C ATOM 439 O ASN A 28 15.279 -0.506 -17.937 1.00 73.40 O ATOM 440 CB ASN A 28 14.140 2.318 -17.047 1.00 13.24 C ATOM 441 CG ASN A 28 13.773 2.737 -15.636 1.00 5.21 C ATOM 442 OD1 ASN A 28 13.108 1.847 -14.908 1.00 22.24 O flip ATOM 443 ND2 ASN A 28 14.085 3.848 -15.206 1.00 44.44 N flip ATOM 0 H ASN A 28 16.105 3.645 -17.817 1.00 63.20 H new ATOM 0 HA ASN A 28 15.817 1.296 -16.175 1.00 24.32 H new ATOM 0 HB2 ASN A 28 14.061 3.179 -17.711 1.00 13.24 H new ATOM 0 HB3 ASN A 28 13.424 1.576 -17.400 1.00 13.24 H new ATOM 0 HD21 ASN A 28 14.596 4.500 -15.801 1.00 44.44 H new ATOM 0 HD22 ASN A 28 13.832 4.116 -14.255 1.00 44.44 H new ATOM 450 N GLU A 29 16.014 1.030 -19.408 1.00 74.12 N ATOM 451 CA GLU A 29 16.106 0.085 -20.515 1.00 51.00 C ATOM 452 C GLU A 29 17.526 -0.457 -20.650 1.00 71.43 C ATOM 453 O GLU A 29 17.943 -0.872 -21.731 1.00 51.03 O ATOM 454 CB GLU A 29 15.677 0.754 -21.823 1.00 20.32 C ATOM 455 CG GLU A 29 16.507 1.974 -22.183 1.00 10.40 C ATOM 456 CD GLU A 29 16.118 2.570 -23.522 1.00 60.22 C ATOM 457 OE1 GLU A 29 15.108 2.120 -24.101 1.00 73.54 O ATOM 458 OE2 GLU A 29 16.825 3.487 -23.991 1.00 33.13 O ATOM 0 H GLU A 29 16.288 1.984 -19.644 1.00 74.12 H new ATOM 0 HA GLU A 29 15.436 -0.748 -20.305 1.00 51.00 H new ATOM 0 HB2 GLU A 29 15.745 0.027 -22.632 1.00 20.32 H new ATOM 0 HB3 GLU A 29 14.630 1.047 -21.745 1.00 20.32 H new ATOM 0 HG2 GLU A 29 16.391 2.730 -21.406 1.00 10.40 H new ATOM 0 HG3 GLU A 29 17.561 1.698 -22.205 1.00 10.40 H new ATOM 465 N ALA A 30 18.263 -0.450 -19.545 1.00 24.33 N ATOM 466 CA ALA A 30 19.635 -0.942 -19.539 1.00 24.44 C ATOM 467 C ALA A 30 19.695 -2.396 -19.081 1.00 3.21 C ATOM 468 O ALA A 30 18.800 -2.875 -18.386 1.00 14.03 O ATOM 469 CB ALA A 30 20.505 -0.070 -18.646 1.00 2.30 C ATOM 0 H ALA A 30 17.933 -0.109 -18.642 1.00 24.33 H new ATOM 0 HA ALA A 30 20.016 -0.893 -20.559 1.00 24.44 H new ATOM 0 HB1 ALA A 30 21.527 -0.449 -18.651 1.00 2.30 H new ATOM 0 HB2 ALA A 30 20.496 0.954 -19.018 1.00 2.30 H new ATOM 0 HB3 ALA A 30 20.116 -0.090 -17.628 1.00 2.30 H new ATOM 475 N SER A 31 20.756 -3.093 -19.476 1.00 1.41 N ATOM 476 CA SER A 31 20.930 -4.493 -19.110 1.00 22.33 C ATOM 477 C SER A 31 21.721 -4.621 -17.811 1.00 40.02 C ATOM 478 O SER A 31 21.959 -3.633 -17.116 1.00 31.11 O ATOM 479 CB SER A 31 21.644 -5.251 -20.231 1.00 53.32 C ATOM 480 OG SER A 31 21.530 -6.652 -20.053 1.00 3.13 O ATOM 0 H SER A 31 21.508 -2.710 -20.050 1.00 1.41 H new ATOM 0 HA SER A 31 19.942 -4.928 -18.959 1.00 22.33 H new ATOM 0 HB2 SER A 31 21.219 -4.968 -21.194 1.00 53.32 H new ATOM 0 HB3 SER A 31 22.697 -4.968 -20.252 1.00 53.32 H new ATOM 0 HG SER A 31 21.993 -7.113 -20.783 1.00 3.13 H new ATOM 486 N PHE A 32 22.126 -5.845 -17.490 1.00 72.44 N ATOM 487 CA PHE A 32 22.889 -6.104 -16.275 1.00 62.42 C ATOM 488 C PHE A 32 24.344 -6.426 -16.605 1.00 31.21 C ATOM 489 O PHE A 32 25.231 -6.273 -15.765 1.00 42.44 O ATOM 490 CB PHE A 32 22.264 -7.261 -15.492 1.00 2.43 C ATOM 491 CG PHE A 32 21.213 -6.822 -14.513 1.00 30.14 C ATOM 492 CD1 PHE A 32 20.491 -5.659 -14.726 1.00 11.03 C ATOM 493 CD2 PHE A 32 20.947 -7.573 -13.379 1.00 3.02 C ATOM 494 CE1 PHE A 32 19.523 -5.253 -13.827 1.00 14.22 C ATOM 495 CE2 PHE A 32 19.980 -7.172 -12.477 1.00 31.12 C ATOM 496 CZ PHE A 32 19.268 -6.010 -12.700 1.00 74.04 C ATOM 0 H PHE A 32 21.938 -6.673 -18.055 1.00 72.44 H new ATOM 0 HA PHE A 32 22.864 -5.204 -15.661 1.00 62.42 H new ATOM 0 HB2 PHE A 32 21.823 -7.968 -16.194 1.00 2.43 H new ATOM 0 HB3 PHE A 32 23.050 -7.793 -14.956 1.00 2.43 H new ATOM 0 HD1 PHE A 32 20.687 -5.063 -15.605 1.00 11.03 H new ATOM 0 HD2 PHE A 32 21.502 -8.482 -13.198 1.00 3.02 H new ATOM 0 HE1 PHE A 32 18.966 -4.345 -14.005 1.00 14.22 H new ATOM 0 HE2 PHE A 32 19.781 -7.767 -11.598 1.00 31.12 H new ATOM 0 HZ PHE A 32 18.514 -5.694 -11.995 1.00 74.04 H new ATOM 506 N VAL A 33 24.581 -6.874 -17.834 1.00 33.53 N ATOM 507 CA VAL A 33 25.927 -7.218 -18.276 1.00 11.10 C ATOM 508 C VAL A 33 26.209 -6.658 -19.666 1.00 15.34 C ATOM 509 O VAL A 33 27.308 -6.177 -19.941 1.00 51.12 O ATOM 510 CB VAL A 33 26.139 -8.743 -18.297 1.00 33.42 C ATOM 511 CG1 VAL A 33 26.128 -9.303 -16.883 1.00 21.53 C ATOM 512 CG2 VAL A 33 25.077 -9.417 -19.154 1.00 3.43 C ATOM 0 H VAL A 33 23.858 -7.007 -18.541 1.00 33.53 H new ATOM 0 HA VAL A 33 26.618 -6.773 -17.560 1.00 11.10 H new ATOM 0 HB VAL A 33 27.114 -8.951 -18.737 1.00 33.42 H new ATOM 0 HG11 VAL A 33 26.279 -10.382 -16.918 1.00 21.53 H new ATOM 0 HG12 VAL A 33 26.928 -8.843 -16.303 1.00 21.53 H new ATOM 0 HG13 VAL A 33 25.169 -9.086 -16.413 1.00 21.53 H new ATOM 0 HG21 VAL A 33 25.242 -10.494 -19.158 1.00 3.43 H new ATOM 0 HG22 VAL A 33 24.090 -9.203 -18.745 1.00 3.43 H new ATOM 0 HG23 VAL A 33 25.138 -9.037 -20.174 1.00 3.43 H new ATOM 522 N ASP A 34 25.208 -6.723 -20.537 1.00 43.43 N ATOM 523 CA ASP A 34 25.347 -6.220 -21.899 1.00 62.23 C ATOM 524 C ASP A 34 25.565 -4.710 -21.902 1.00 32.30 C ATOM 525 O ASP A 34 26.175 -4.163 -22.820 1.00 43.22 O ATOM 526 CB ASP A 34 24.108 -6.571 -22.724 1.00 13.21 C ATOM 527 CG ASP A 34 24.323 -6.361 -24.210 1.00 33.51 C ATOM 528 OD1 ASP A 34 24.400 -5.191 -24.639 1.00 21.43 O ATOM 529 OD2 ASP A 34 24.413 -7.368 -24.944 1.00 53.24 O ATOM 0 H ASP A 34 24.292 -7.119 -20.325 1.00 43.43 H new ATOM 0 HA ASP A 34 26.219 -6.695 -22.348 1.00 62.23 H new ATOM 0 HB2 ASP A 34 23.837 -7.611 -22.543 1.00 13.21 H new ATOM 0 HB3 ASP A 34 23.269 -5.960 -22.391 1.00 13.21 H new ATOM 534 N ASP A 35 25.061 -4.043 -20.870 1.00 34.44 N ATOM 535 CA ASP A 35 25.200 -2.596 -20.753 1.00 34.54 C ATOM 536 C ASP A 35 26.164 -2.232 -19.628 1.00 62.43 C ATOM 537 O ASP A 35 27.020 -1.361 -19.788 1.00 0.12 O ATOM 538 CB ASP A 35 23.836 -1.950 -20.501 1.00 24.40 C ATOM 539 CG ASP A 35 23.876 -0.441 -20.642 1.00 31.41 C ATOM 540 OD1 ASP A 35 23.802 0.049 -21.788 1.00 15.23 O ATOM 541 OD2 ASP A 35 23.982 0.249 -19.606 1.00 62.04 O ATOM 0 H ASP A 35 24.552 -4.481 -20.102 1.00 34.44 H new ATOM 0 HA ASP A 35 25.605 -2.218 -21.691 1.00 34.54 H new ATOM 0 HB2 ASP A 35 23.108 -2.359 -21.202 1.00 24.40 H new ATOM 0 HB3 ASP A 35 23.494 -2.210 -19.499 1.00 24.40 H new ATOM 546 N LEU A 36 26.020 -2.904 -18.491 1.00 72.13 N ATOM 547 CA LEU A 36 26.878 -2.651 -17.339 1.00 13.11 C ATOM 548 C LEU A 36 28.249 -3.292 -17.529 1.00 53.13 C ATOM 549 O LEU A 36 29.144 -3.123 -16.703 1.00 45.22 O ATOM 550 CB LEU A 36 26.224 -3.187 -16.064 1.00 60.11 C ATOM 551 CG LEU A 36 24.734 -2.887 -15.896 1.00 42.33 C ATOM 552 CD1 LEU A 36 24.249 -3.340 -14.528 1.00 1.51 C ATOM 553 CD2 LEU A 36 24.464 -1.403 -16.096 1.00 14.42 C ATOM 0 H LEU A 36 25.317 -3.628 -18.342 1.00 72.13 H new ATOM 0 HA LEU A 36 27.011 -1.573 -17.246 1.00 13.11 H new ATOM 0 HB2 LEU A 36 26.362 -4.268 -16.036 1.00 60.11 H new ATOM 0 HB3 LEU A 36 26.756 -2.775 -15.206 1.00 60.11 H new ATOM 0 HG LEU A 36 24.183 -3.442 -16.655 1.00 42.33 H new ATOM 0 HD11 LEU A 36 23.187 -3.118 -14.427 1.00 1.51 H new ATOM 0 HD12 LEU A 36 24.407 -4.413 -14.423 1.00 1.51 H new ATOM 0 HD13 LEU A 36 24.805 -2.814 -13.752 1.00 1.51 H new ATOM 0 HD21 LEU A 36 23.399 -1.207 -15.973 1.00 14.42 H new ATOM 0 HD22 LEU A 36 25.026 -0.828 -15.360 1.00 14.42 H new ATOM 0 HD23 LEU A 36 24.773 -1.109 -17.099 1.00 14.42 H new ATOM 565 N GLY A 37 28.405 -4.027 -18.626 1.00 24.41 N ATOM 566 CA GLY A 37 29.671 -4.681 -18.906 1.00 54.33 C ATOM 567 C GLY A 37 30.049 -5.692 -17.843 1.00 21.14 C ATOM 568 O GLY A 37 31.201 -6.118 -17.763 1.00 71.04 O ATOM 0 H GLY A 37 27.679 -4.181 -19.325 1.00 24.41 H new ATOM 0 HA2 GLY A 37 29.612 -5.180 -19.873 1.00 54.33 H new ATOM 0 HA3 GLY A 37 30.456 -3.929 -18.983 1.00 54.33 H new ATOM 572 N ALA A 38 29.077 -6.076 -17.021 1.00 65.43 N ATOM 573 CA ALA A 38 29.315 -7.044 -15.957 1.00 73.13 C ATOM 574 C ALA A 38 29.289 -8.470 -16.497 1.00 35.35 C ATOM 575 O ALA A 38 29.257 -8.685 -17.708 1.00 74.43 O ATOM 576 CB ALA A 38 28.283 -6.877 -14.852 1.00 13.31 C ATOM 0 H ALA A 38 28.118 -5.732 -17.072 1.00 65.43 H new ATOM 0 HA ALA A 38 30.306 -6.858 -15.544 1.00 73.13 H new ATOM 0 HB1 ALA A 38 28.472 -7.606 -14.064 1.00 13.31 H new ATOM 0 HB2 ALA A 38 28.351 -5.870 -14.439 1.00 13.31 H new ATOM 0 HB3 ALA A 38 27.285 -7.035 -15.260 1.00 13.31 H new ATOM 582 N ASP A 39 29.303 -9.441 -15.590 1.00 0.13 N ATOM 583 CA ASP A 39 29.281 -10.847 -15.975 1.00 34.34 C ATOM 584 C ASP A 39 28.289 -11.629 -15.119 1.00 31.22 C ATOM 585 O ASP A 39 27.183 -11.941 -15.561 1.00 63.30 O ATOM 586 CB ASP A 39 30.677 -11.456 -15.843 1.00 65.35 C ATOM 587 CG ASP A 39 31.542 -11.190 -17.060 1.00 74.44 C ATOM 588 OD1 ASP A 39 31.079 -11.464 -18.187 1.00 52.14 O ATOM 589 OD2 ASP A 39 32.681 -10.710 -16.886 1.00 1.52 O ATOM 0 H ASP A 39 29.329 -9.280 -14.583 1.00 0.13 H new ATOM 0 HA ASP A 39 28.963 -10.908 -17.016 1.00 34.34 H new ATOM 0 HB2 ASP A 39 31.166 -11.049 -14.958 1.00 65.35 H new ATOM 0 HB3 ASP A 39 30.588 -12.532 -15.692 1.00 65.35 H new ATOM 594 N SER A 40 28.693 -11.943 -13.892 1.00 73.30 N ATOM 595 CA SER A 40 27.842 -12.693 -12.976 1.00 34.23 C ATOM 596 C SER A 40 27.823 -12.043 -11.596 1.00 2.42 C ATOM 597 O SER A 40 26.778 -11.959 -10.950 1.00 12.03 O ATOM 598 CB SER A 40 28.327 -14.140 -12.864 1.00 12.34 C ATOM 599 OG SER A 40 27.751 -14.951 -13.873 1.00 14.33 O ATOM 0 H SER A 40 29.604 -11.690 -13.510 1.00 73.30 H new ATOM 0 HA SER A 40 26.828 -12.687 -13.375 1.00 34.23 H new ATOM 0 HB2 SER A 40 29.414 -14.170 -12.945 1.00 12.34 H new ATOM 0 HB3 SER A 40 28.070 -14.538 -11.882 1.00 12.34 H new ATOM 0 HG SER A 40 28.078 -15.870 -13.780 1.00 14.33 H new ATOM 605 N LEU A 41 28.987 -11.583 -11.150 1.00 61.11 N ATOM 606 CA LEU A 41 29.107 -10.939 -9.847 1.00 31.25 C ATOM 607 C LEU A 41 28.075 -9.826 -9.692 1.00 65.12 C ATOM 608 O LEU A 41 27.606 -9.550 -8.588 1.00 51.01 O ATOM 609 CB LEU A 41 30.516 -10.373 -9.663 1.00 21.22 C ATOM 610 CG LEU A 41 31.053 -9.521 -10.814 1.00 34.24 C ATOM 611 CD1 LEU A 41 30.598 -8.077 -10.666 1.00 22.52 C ATOM 612 CD2 LEU A 41 32.571 -9.601 -10.873 1.00 60.05 C ATOM 0 H LEU A 41 29.861 -11.644 -11.672 1.00 61.11 H new ATOM 0 HA LEU A 41 28.921 -11.691 -9.080 1.00 31.25 H new ATOM 0 HB2 LEU A 41 30.528 -9.770 -8.755 1.00 21.22 H new ATOM 0 HB3 LEU A 41 31.202 -11.205 -9.502 1.00 21.22 H new ATOM 0 HG LEU A 41 30.652 -9.912 -11.749 1.00 34.24 H new ATOM 0 HD11 LEU A 41 30.989 -7.486 -11.494 1.00 22.52 H new ATOM 0 HD12 LEU A 41 29.509 -8.036 -10.674 1.00 22.52 H new ATOM 0 HD13 LEU A 41 30.969 -7.673 -9.724 1.00 22.52 H new ATOM 0 HD21 LEU A 41 32.936 -8.989 -11.698 1.00 60.05 H new ATOM 0 HD22 LEU A 41 32.991 -9.235 -9.936 1.00 60.05 H new ATOM 0 HD23 LEU A 41 32.875 -10.636 -11.027 1.00 60.05 H new ATOM 624 N ASP A 42 27.726 -9.192 -10.806 1.00 0.00 N ATOM 625 CA ASP A 42 26.747 -8.111 -10.795 1.00 43.14 C ATOM 626 C ASP A 42 25.352 -8.644 -10.486 1.00 71.20 C ATOM 627 O ASP A 42 24.769 -8.326 -9.449 1.00 1.21 O ATOM 628 CB ASP A 42 26.743 -7.385 -12.142 1.00 34.42 C ATOM 629 CG ASP A 42 25.492 -6.553 -12.346 1.00 43.34 C ATOM 630 OD1 ASP A 42 25.325 -5.548 -11.625 1.00 13.32 O ATOM 631 OD2 ASP A 42 24.681 -6.907 -13.228 1.00 11.43 O ATOM 0 H ASP A 42 28.106 -9.408 -11.728 1.00 0.00 H new ATOM 0 HA ASP A 42 27.028 -7.407 -10.012 1.00 43.14 H new ATOM 0 HB2 ASP A 42 27.619 -6.740 -12.207 1.00 34.42 H new ATOM 0 HB3 ASP A 42 26.825 -8.116 -12.946 1.00 34.42 H new ATOM 636 N THR A 43 24.820 -9.457 -11.393 1.00 71.34 N ATOM 637 CA THR A 43 23.492 -10.033 -11.219 1.00 64.00 C ATOM 638 C THR A 43 23.341 -10.657 -9.836 1.00 50.14 C ATOM 639 O THR A 43 22.300 -10.522 -9.194 1.00 14.31 O ATOM 640 CB THR A 43 23.199 -11.103 -12.287 1.00 64.15 C ATOM 641 OG1 THR A 43 24.231 -12.097 -12.282 1.00 14.35 O ATOM 642 CG2 THR A 43 23.101 -10.475 -13.670 1.00 22.24 C ATOM 0 H THR A 43 25.289 -9.732 -12.256 1.00 71.34 H new ATOM 0 HA THR A 43 22.777 -9.217 -11.327 1.00 64.00 H new ATOM 0 HB THR A 43 22.244 -11.570 -12.048 1.00 64.15 H new ATOM 0 HG1 THR A 43 25.019 -11.748 -11.815 1.00 14.35 H new ATOM 0 HG21 THR A 43 22.894 -11.250 -14.408 1.00 22.24 H new ATOM 0 HG22 THR A 43 22.296 -9.740 -13.680 1.00 22.24 H new ATOM 0 HG23 THR A 43 24.043 -9.984 -13.914 1.00 22.24 H new ATOM 650 N VAL A 44 24.387 -11.340 -9.383 1.00 30.42 N ATOM 651 CA VAL A 44 24.371 -11.984 -8.075 1.00 13.14 C ATOM 652 C VAL A 44 24.201 -10.958 -6.960 1.00 32.24 C ATOM 653 O VAL A 44 23.347 -11.112 -6.087 1.00 52.31 O ATOM 654 CB VAL A 44 25.662 -12.786 -7.827 1.00 45.53 C ATOM 655 CG1 VAL A 44 25.635 -13.432 -6.451 1.00 35.22 C ATOM 656 CG2 VAL A 44 25.855 -13.833 -8.914 1.00 3.23 C ATOM 0 H VAL A 44 25.256 -11.462 -9.902 1.00 30.42 H new ATOM 0 HA VAL A 44 23.522 -12.667 -8.070 1.00 13.14 H new ATOM 0 HB VAL A 44 26.508 -12.099 -7.861 1.00 45.53 H new ATOM 0 HG11 VAL A 44 26.556 -13.994 -6.295 1.00 35.22 H new ATOM 0 HG12 VAL A 44 25.548 -12.659 -5.688 1.00 35.22 H new ATOM 0 HG13 VAL A 44 24.782 -14.107 -6.383 1.00 35.22 H new ATOM 0 HG21 VAL A 44 26.772 -14.391 -8.723 1.00 3.23 H new ATOM 0 HG22 VAL A 44 25.007 -14.518 -8.914 1.00 3.23 H new ATOM 0 HG23 VAL A 44 25.924 -13.341 -9.884 1.00 3.23 H new ATOM 666 N GLU A 45 25.020 -9.912 -6.996 1.00 13.41 N ATOM 667 CA GLU A 45 24.960 -8.860 -5.987 1.00 74.23 C ATOM 668 C GLU A 45 23.631 -8.112 -6.060 1.00 25.23 C ATOM 669 O GLU A 45 23.059 -7.740 -5.035 1.00 33.14 O ATOM 670 CB GLU A 45 26.120 -7.880 -6.171 1.00 2.03 C ATOM 671 CG GLU A 45 27.314 -8.176 -5.279 1.00 31.44 C ATOM 672 CD GLU A 45 27.675 -9.649 -5.258 1.00 3.01 C ATOM 673 OE1 GLU A 45 27.020 -10.411 -4.517 1.00 74.04 O ATOM 674 OE2 GLU A 45 28.614 -10.039 -5.983 1.00 44.11 O ATOM 0 H GLU A 45 25.732 -9.770 -7.712 1.00 13.41 H new ATOM 0 HA GLU A 45 25.041 -9.327 -5.006 1.00 74.23 H new ATOM 0 HB2 GLU A 45 26.441 -7.901 -7.212 1.00 2.03 H new ATOM 0 HB3 GLU A 45 25.767 -6.869 -5.967 1.00 2.03 H new ATOM 0 HG2 GLU A 45 28.173 -7.600 -5.624 1.00 31.44 H new ATOM 0 HG3 GLU A 45 27.096 -7.845 -4.264 1.00 31.44 H new ATOM 681 N LEU A 46 23.147 -7.895 -7.277 1.00 45.25 N ATOM 682 CA LEU A 46 21.887 -7.191 -7.485 1.00 52.33 C ATOM 683 C LEU A 46 20.711 -8.016 -6.973 1.00 21.24 C ATOM 684 O LEU A 46 19.968 -7.579 -6.094 1.00 52.42 O ATOM 685 CB LEU A 46 21.695 -6.876 -8.970 1.00 14.32 C ATOM 686 CG LEU A 46 22.687 -5.885 -9.580 1.00 20.13 C ATOM 687 CD1 LEU A 46 22.316 -5.577 -11.022 1.00 15.11 C ATOM 688 CD2 LEU A 46 22.739 -4.607 -8.756 1.00 3.13 C ATOM 0 H LEU A 46 23.608 -8.197 -8.135 1.00 45.25 H new ATOM 0 HA LEU A 46 21.924 -6.258 -6.923 1.00 52.33 H new ATOM 0 HB2 LEU A 46 21.754 -7.810 -9.529 1.00 14.32 H new ATOM 0 HB3 LEU A 46 20.688 -6.484 -9.110 1.00 14.32 H new ATOM 0 HG LEU A 46 23.677 -6.340 -9.571 1.00 20.13 H new ATOM 0 HD11 LEU A 46 23.033 -4.870 -11.439 1.00 15.11 H new ATOM 0 HD12 LEU A 46 22.332 -6.497 -11.606 1.00 15.11 H new ATOM 0 HD13 LEU A 46 21.317 -5.143 -11.056 1.00 15.11 H new ATOM 0 HD21 LEU A 46 23.450 -3.913 -9.205 1.00 3.13 H new ATOM 0 HD22 LEU A 46 21.750 -4.149 -8.733 1.00 3.13 H new ATOM 0 HD23 LEU A 46 23.054 -4.842 -7.739 1.00 3.13 H new ATOM 700 N VAL A 47 20.550 -9.214 -7.526 1.00 33.12 N ATOM 701 CA VAL A 47 19.467 -10.103 -7.122 1.00 54.13 C ATOM 702 C VAL A 47 19.421 -10.260 -5.607 1.00 33.44 C ATOM 703 O VAL A 47 18.350 -10.226 -5.001 1.00 51.32 O ATOM 704 CB VAL A 47 19.612 -11.494 -7.768 1.00 10.22 C ATOM 705 CG1 VAL A 47 18.542 -12.440 -7.245 1.00 53.30 C ATOM 706 CG2 VAL A 47 19.546 -11.387 -9.284 1.00 1.42 C ATOM 0 H VAL A 47 21.156 -9.591 -8.255 1.00 33.12 H new ATOM 0 HA VAL A 47 18.538 -9.647 -7.465 1.00 54.13 H new ATOM 0 HB VAL A 47 20.586 -11.901 -7.498 1.00 10.22 H new ATOM 0 HG11 VAL A 47 18.660 -13.417 -7.713 1.00 53.30 H new ATOM 0 HG12 VAL A 47 18.642 -12.540 -6.164 1.00 53.30 H new ATOM 0 HG13 VAL A 47 17.556 -12.041 -7.483 1.00 53.30 H new ATOM 0 HG21 VAL A 47 19.650 -12.379 -9.724 1.00 1.42 H new ATOM 0 HG22 VAL A 47 18.587 -10.959 -9.577 1.00 1.42 H new ATOM 0 HG23 VAL A 47 20.353 -10.746 -9.639 1.00 1.42 H new ATOM 716 N MET A 48 20.590 -10.433 -4.999 1.00 62.25 N ATOM 717 CA MET A 48 20.684 -10.594 -3.553 1.00 75.31 C ATOM 718 C MET A 48 20.372 -9.283 -2.839 1.00 5.12 C ATOM 719 O MET A 48 19.685 -9.269 -1.818 1.00 62.22 O ATOM 720 CB MET A 48 22.079 -11.083 -3.162 1.00 24.11 C ATOM 721 CG MET A 48 22.398 -12.480 -3.669 1.00 64.11 C ATOM 722 SD MET A 48 24.132 -12.921 -3.445 1.00 63.21 S ATOM 723 CE MET A 48 23.976 -14.489 -2.593 1.00 55.03 C ATOM 0 H MET A 48 21.486 -10.465 -5.486 1.00 62.25 H new ATOM 0 HA MET A 48 19.948 -11.338 -3.247 1.00 75.31 H new ATOM 0 HB2 MET A 48 22.821 -10.386 -3.551 1.00 24.11 H new ATOM 0 HB3 MET A 48 22.168 -11.071 -2.076 1.00 24.11 H new ATOM 0 HG2 MET A 48 21.773 -13.204 -3.146 1.00 64.11 H new ATOM 0 HG3 MET A 48 22.144 -12.545 -4.727 1.00 64.11 H new ATOM 0 HE1 MET A 48 24.968 -14.890 -2.384 1.00 55.03 H new ATOM 0 HE2 MET A 48 23.439 -14.342 -1.656 1.00 55.03 H new ATOM 0 HE3 MET A 48 23.426 -15.191 -3.220 1.00 55.03 H new ATOM 733 N ALA A 49 20.883 -8.183 -3.382 1.00 3.20 N ATOM 734 CA ALA A 49 20.658 -6.867 -2.797 1.00 43.32 C ATOM 735 C ALA A 49 19.172 -6.530 -2.759 1.00 15.02 C ATOM 736 O ALA A 49 18.725 -5.738 -1.928 1.00 41.40 O ATOM 737 CB ALA A 49 21.422 -5.806 -3.576 1.00 11.33 C ATOM 0 H ALA A 49 21.456 -8.177 -4.226 1.00 3.20 H new ATOM 0 HA ALA A 49 21.026 -6.885 -1.771 1.00 43.32 H new ATOM 0 HB1 ALA A 49 21.245 -4.828 -3.128 1.00 11.33 H new ATOM 0 HB2 ALA A 49 22.488 -6.031 -3.547 1.00 11.33 H new ATOM 0 HB3 ALA A 49 21.081 -5.798 -4.611 1.00 11.33 H new ATOM 743 N LEU A 50 18.409 -7.135 -3.663 1.00 22.44 N ATOM 744 CA LEU A 50 16.971 -6.899 -3.733 1.00 23.14 C ATOM 745 C LEU A 50 16.225 -7.785 -2.741 1.00 31.34 C ATOM 746 O LEU A 50 15.473 -7.294 -1.899 1.00 64.11 O ATOM 747 CB LEU A 50 16.460 -7.159 -5.151 1.00 3.02 C ATOM 748 CG LEU A 50 16.933 -6.179 -6.225 1.00 3.32 C ATOM 749 CD1 LEU A 50 16.616 -6.713 -7.613 1.00 35.23 C ATOM 750 CD2 LEU A 50 16.295 -4.813 -6.018 1.00 41.34 C ATOM 0 H LEU A 50 18.762 -7.793 -4.358 1.00 22.44 H new ATOM 0 HA LEU A 50 16.786 -5.857 -3.472 1.00 23.14 H new ATOM 0 HB2 LEU A 50 16.762 -8.164 -5.446 1.00 3.02 H new ATOM 0 HB3 LEU A 50 15.370 -7.147 -5.131 1.00 3.02 H new ATOM 0 HG LEU A 50 18.014 -6.070 -6.139 1.00 3.32 H new ATOM 0 HD11 LEU A 50 16.960 -6.002 -8.364 1.00 35.23 H new ATOM 0 HD12 LEU A 50 17.121 -7.668 -7.759 1.00 35.23 H new ATOM 0 HD13 LEU A 50 15.540 -6.853 -7.712 1.00 35.23 H new ATOM 0 HD21 LEU A 50 16.643 -4.128 -6.791 1.00 41.34 H new ATOM 0 HD22 LEU A 50 15.210 -4.905 -6.076 1.00 41.34 H new ATOM 0 HD23 LEU A 50 16.574 -4.426 -5.038 1.00 41.34 H new ATOM 762 N GLU A 51 16.440 -9.093 -2.845 1.00 73.10 N ATOM 763 CA GLU A 51 15.788 -10.047 -1.955 1.00 72.05 C ATOM 764 C GLU A 51 16.146 -9.765 -0.499 1.00 61.51 C ATOM 765 O GLU A 51 15.441 -10.187 0.416 1.00 33.45 O ATOM 766 CB GLU A 51 16.188 -11.477 -2.323 1.00 63.24 C ATOM 767 CG GLU A 51 17.623 -11.821 -1.958 1.00 15.21 C ATOM 768 CD GLU A 51 18.102 -13.099 -2.617 1.00 22.40 C ATOM 769 OE1 GLU A 51 18.360 -13.076 -3.839 1.00 2.42 O ATOM 770 OE2 GLU A 51 18.219 -14.123 -1.912 1.00 25.22 O ATOM 0 H GLU A 51 17.060 -9.516 -3.536 1.00 73.10 H new ATOM 0 HA GLU A 51 14.710 -9.937 -2.073 1.00 72.05 H new ATOM 0 HB2 GLU A 51 15.517 -12.174 -1.820 1.00 63.24 H new ATOM 0 HB3 GLU A 51 16.051 -11.619 -3.395 1.00 63.24 H new ATOM 0 HG2 GLU A 51 18.276 -10.999 -2.251 1.00 15.21 H new ATOM 0 HG3 GLU A 51 17.704 -11.922 -0.876 1.00 15.21 H new ATOM 777 N GLU A 52 17.248 -9.050 -0.294 1.00 72.14 N ATOM 778 CA GLU A 52 17.700 -8.714 1.050 1.00 5.32 C ATOM 779 C GLU A 52 17.148 -7.360 1.488 1.00 74.33 C ATOM 780 O GLU A 52 16.479 -7.255 2.515 1.00 3.15 O ATOM 781 CB GLU A 52 19.229 -8.695 1.108 1.00 64.11 C ATOM 782 CG GLU A 52 19.856 -10.079 1.099 1.00 33.55 C ATOM 783 CD GLU A 52 21.353 -10.044 1.339 1.00 35.14 C ATOM 784 OE1 GLU A 52 21.995 -9.055 0.929 1.00 63.14 O ATOM 785 OE2 GLU A 52 21.881 -11.005 1.937 1.00 1.50 O ATOM 0 H GLU A 52 17.843 -8.693 -1.041 1.00 72.14 H new ATOM 0 HA GLU A 52 17.326 -9.478 1.732 1.00 5.32 H new ATOM 0 HB2 GLU A 52 19.609 -8.128 0.259 1.00 64.11 H new ATOM 0 HB3 GLU A 52 19.543 -8.169 2.009 1.00 64.11 H new ATOM 0 HG2 GLU A 52 19.383 -10.693 1.866 1.00 33.55 H new ATOM 0 HG3 GLU A 52 19.657 -10.558 0.140 1.00 33.55 H new ATOM 792 N GLU A 53 17.433 -6.328 0.700 1.00 74.44 N ATOM 793 CA GLU A 53 16.965 -4.982 1.006 1.00 1.35 C ATOM 794 C GLU A 53 15.445 -4.896 0.902 1.00 61.34 C ATOM 795 O GLU A 53 14.759 -4.605 1.882 1.00 44.22 O ATOM 796 CB GLU A 53 17.610 -3.966 0.061 1.00 23.12 C ATOM 797 CG GLU A 53 17.552 -2.536 0.572 1.00 22.44 C ATOM 798 CD GLU A 53 18.568 -2.266 1.666 1.00 74.03 C ATOM 799 OE1 GLU A 53 19.495 -3.086 1.829 1.00 20.41 O ATOM 800 OE2 GLU A 53 18.435 -1.235 2.358 1.00 70.14 O ATOM 0 H GLU A 53 17.985 -6.399 -0.155 1.00 74.44 H new ATOM 0 HA GLU A 53 17.255 -4.750 2.031 1.00 1.35 H new ATOM 0 HB2 GLU A 53 18.652 -4.243 -0.100 1.00 23.12 H new ATOM 0 HB3 GLU A 53 17.113 -4.017 -0.908 1.00 23.12 H new ATOM 0 HG2 GLU A 53 17.726 -1.850 -0.257 1.00 22.44 H new ATOM 0 HG3 GLU A 53 16.551 -2.330 0.952 1.00 22.44 H new ATOM 807 N PHE A 54 14.925 -5.152 -0.294 1.00 61.23 N ATOM 808 CA PHE A 54 13.487 -5.103 -0.529 1.00 33.01 C ATOM 809 C PHE A 54 12.783 -6.269 0.160 1.00 41.13 C ATOM 810 O PHE A 54 11.556 -6.301 0.251 1.00 52.13 O ATOM 811 CB PHE A 54 13.192 -5.130 -2.030 1.00 43.22 C ATOM 812 CG PHE A 54 13.200 -3.770 -2.667 1.00 3.50 C ATOM 813 CD1 PHE A 54 12.063 -2.978 -2.656 1.00 20.14 C ATOM 814 CD2 PHE A 54 14.345 -3.282 -3.276 1.00 61.15 C ATOM 815 CE1 PHE A 54 12.068 -1.726 -3.242 1.00 34.44 C ATOM 816 CE2 PHE A 54 14.356 -2.031 -3.864 1.00 12.12 C ATOM 817 CZ PHE A 54 13.216 -1.252 -3.845 1.00 53.33 C ATOM 0 H PHE A 54 15.478 -5.396 -1.116 1.00 61.23 H new ATOM 0 HA PHE A 54 13.107 -4.172 -0.108 1.00 33.01 H new ATOM 0 HB2 PHE A 54 13.931 -5.759 -2.526 1.00 43.22 H new ATOM 0 HB3 PHE A 54 12.219 -5.593 -2.193 1.00 43.22 H new ATOM 0 HD1 PHE A 54 11.163 -3.343 -2.184 1.00 20.14 H new ATOM 0 HD2 PHE A 54 15.240 -3.886 -3.291 1.00 61.15 H new ATOM 0 HE1 PHE A 54 11.175 -1.119 -3.228 1.00 34.44 H new ATOM 0 HE2 PHE A 54 15.255 -1.664 -4.337 1.00 12.12 H new ATOM 0 HZ PHE A 54 13.222 -0.273 -4.301 1.00 53.33 H new ATOM 827 N ASP A 55 13.569 -7.225 0.642 1.00 4.32 N ATOM 828 CA ASP A 55 13.023 -8.393 1.323 1.00 3.11 C ATOM 829 C ASP A 55 12.084 -9.167 0.404 1.00 34.44 C ATOM 830 O ASP A 55 11.026 -9.634 0.830 1.00 50.34 O ATOM 831 CB ASP A 55 12.282 -7.970 2.592 1.00 12.41 C ATOM 832 CG ASP A 55 13.189 -7.275 3.588 1.00 1.14 C ATOM 833 OD1 ASP A 55 13.903 -7.980 4.332 1.00 13.41 O ATOM 834 OD2 ASP A 55 13.185 -6.026 3.625 1.00 60.31 O ATOM 0 H ASP A 55 14.587 -7.214 0.574 1.00 4.32 H new ATOM 0 HA ASP A 55 13.853 -9.045 1.597 1.00 3.11 H new ATOM 0 HB2 ASP A 55 11.462 -7.303 2.325 1.00 12.41 H new ATOM 0 HB3 ASP A 55 11.839 -8.849 3.060 1.00 12.41 H new ATOM 839 N THR A 56 12.476 -9.301 -0.859 1.00 13.50 N ATOM 840 CA THR A 56 11.668 -10.016 -1.839 1.00 21.14 C ATOM 841 C THR A 56 12.177 -11.439 -2.036 1.00 70.45 C ATOM 842 O THR A 56 13.277 -11.780 -1.603 1.00 31.21 O ATOM 843 CB THR A 56 11.661 -9.292 -3.198 1.00 4.20 C ATOM 844 OG1 THR A 56 12.999 -9.164 -3.692 1.00 24.14 O ATOM 845 CG2 THR A 56 11.028 -7.914 -3.074 1.00 75.41 C ATOM 0 H THR A 56 13.349 -8.923 -1.227 1.00 13.50 H new ATOM 0 HA THR A 56 10.651 -10.047 -1.448 1.00 21.14 H new ATOM 0 HB THR A 56 11.071 -9.885 -3.897 1.00 4.20 H new ATOM 0 HG1 THR A 56 12.986 -8.704 -4.557 1.00 24.14 H new ATOM 0 HG21 THR A 56 11.034 -7.422 -4.047 1.00 75.41 H new ATOM 0 HG22 THR A 56 10.000 -8.016 -2.726 1.00 75.41 H new ATOM 0 HG23 THR A 56 11.595 -7.316 -2.361 1.00 75.41 H new ATOM 853 N GLU A 57 11.370 -12.266 -2.694 1.00 54.43 N ATOM 854 CA GLU A 57 11.740 -13.653 -2.949 1.00 0.21 C ATOM 855 C GLU A 57 12.222 -13.832 -4.386 1.00 22.34 C ATOM 856 O GLU A 57 11.446 -14.193 -5.271 1.00 64.21 O ATOM 857 CB GLU A 57 10.552 -14.579 -2.679 1.00 4.15 C ATOM 858 CG GLU A 57 10.127 -14.613 -1.220 1.00 62.42 C ATOM 859 CD GLU A 57 11.049 -15.460 -0.364 1.00 1.54 C ATOM 860 OE1 GLU A 57 11.179 -16.669 -0.646 1.00 54.22 O ATOM 861 OE2 GLU A 57 11.641 -14.911 0.590 1.00 63.33 O ATOM 0 H GLU A 57 10.456 -11.999 -3.060 1.00 54.43 H new ATOM 0 HA GLU A 57 12.556 -13.914 -2.275 1.00 0.21 H new ATOM 0 HB2 GLU A 57 9.707 -14.259 -3.288 1.00 4.15 H new ATOM 0 HB3 GLU A 57 10.810 -15.589 -2.998 1.00 4.15 H new ATOM 0 HG2 GLU A 57 10.105 -13.596 -0.828 1.00 62.42 H new ATOM 0 HG3 GLU A 57 9.112 -15.003 -1.150 1.00 62.42 H new ATOM 868 N ILE A 58 13.507 -13.577 -4.608 1.00 60.14 N ATOM 869 CA ILE A 58 14.093 -13.711 -5.936 1.00 52.24 C ATOM 870 C ILE A 58 15.069 -14.881 -5.991 1.00 42.23 C ATOM 871 O ILE A 58 16.287 -14.709 -5.932 1.00 11.20 O ATOM 872 CB ILE A 58 14.826 -12.425 -6.360 1.00 50.54 C ATOM 873 CG1 ILE A 58 13.880 -11.224 -6.286 1.00 61.20 C ATOM 874 CG2 ILE A 58 15.390 -12.575 -7.765 1.00 61.03 C ATOM 875 CD1 ILE A 58 12.633 -11.385 -7.127 1.00 11.32 C ATOM 0 H ILE A 58 14.162 -13.277 -3.886 1.00 60.14 H new ATOM 0 HA ILE A 58 13.270 -13.895 -6.627 1.00 52.24 H new ATOM 0 HB ILE A 58 15.655 -12.254 -5.673 1.00 50.54 H new ATOM 0 HG12 ILE A 58 13.590 -11.064 -5.248 1.00 61.20 H new ATOM 0 HG13 ILE A 58 14.414 -10.331 -6.610 1.00 61.20 H new ATOM 0 HG21 ILE A 58 15.905 -11.658 -8.050 1.00 61.03 H new ATOM 0 HG22 ILE A 58 16.093 -13.408 -7.788 1.00 61.03 H new ATOM 0 HG23 ILE A 58 14.577 -12.767 -8.465 1.00 61.03 H new ATOM 0 HD11 ILE A 58 12.009 -10.497 -7.026 1.00 11.32 H new ATOM 0 HD12 ILE A 58 12.913 -11.515 -8.172 1.00 11.32 H new ATOM 0 HD13 ILE A 58 12.077 -12.259 -6.789 1.00 11.32 H new ATOM 887 N PRO A 59 14.525 -16.101 -6.109 1.00 54.11 N ATOM 888 CA PRO A 59 15.330 -17.324 -6.177 1.00 51.03 C ATOM 889 C PRO A 59 16.104 -17.436 -7.486 1.00 43.11 C ATOM 890 O PRO A 59 16.151 -16.491 -8.274 1.00 12.24 O ATOM 891 CB PRO A 59 14.288 -18.441 -6.075 1.00 50.32 C ATOM 892 CG PRO A 59 13.027 -17.830 -6.582 1.00 1.13 C ATOM 893 CD PRO A 59 13.081 -16.380 -6.185 1.00 71.44 C ATOM 0 HA PRO A 59 16.088 -17.357 -5.395 1.00 51.03 H new ATOM 0 HB2 PRO A 59 14.576 -19.307 -6.671 1.00 50.32 H new ATOM 0 HB3 PRO A 59 14.176 -18.785 -5.047 1.00 50.32 H new ATOM 0 HG2 PRO A 59 12.950 -17.936 -7.664 1.00 1.13 H new ATOM 0 HG3 PRO A 59 12.155 -18.321 -6.151 1.00 1.13 H new ATOM 0 HD2 PRO A 59 12.587 -15.744 -6.919 1.00 71.44 H new ATOM 0 HD3 PRO A 59 12.587 -16.206 -5.229 1.00 71.44 H new ATOM 901 N ASP A 60 16.710 -18.596 -7.712 1.00 62.30 N ATOM 902 CA ASP A 60 17.482 -18.832 -8.927 1.00 33.21 C ATOM 903 C ASP A 60 16.641 -18.550 -10.168 1.00 72.10 C ATOM 904 O ASP A 60 17.089 -17.872 -11.092 1.00 2.24 O ATOM 905 CB ASP A 60 17.994 -20.273 -8.959 1.00 41.15 C ATOM 906 CG ASP A 60 18.847 -20.557 -10.180 1.00 43.51 C ATOM 907 OD1 ASP A 60 19.965 -20.006 -10.263 1.00 70.20 O ATOM 908 OD2 ASP A 60 18.397 -21.328 -11.053 1.00 71.11 O ATOM 0 H ASP A 60 16.682 -19.388 -7.070 1.00 62.30 H new ATOM 0 HA ASP A 60 18.334 -18.152 -8.925 1.00 33.21 H new ATOM 0 HB2 ASP A 60 18.577 -20.469 -8.059 1.00 41.15 H new ATOM 0 HB3 ASP A 60 17.146 -20.957 -8.945 1.00 41.15 H new ATOM 913 N GLU A 61 15.420 -19.076 -10.182 1.00 20.32 N ATOM 914 CA GLU A 61 14.518 -18.882 -11.311 1.00 31.01 C ATOM 915 C GLU A 61 14.323 -17.397 -11.602 1.00 42.14 C ATOM 916 O GLU A 61 14.697 -16.909 -12.668 1.00 62.44 O ATOM 917 CB GLU A 61 13.165 -19.540 -11.030 1.00 41.43 C ATOM 918 CG GLU A 61 13.176 -21.050 -11.199 1.00 13.41 C ATOM 919 CD GLU A 61 13.117 -21.475 -12.653 1.00 45.33 C ATOM 920 OE1 GLU A 61 13.309 -20.608 -13.532 1.00 74.01 O ATOM 921 OE2 GLU A 61 12.881 -22.673 -12.913 1.00 13.12 O ATOM 0 H GLU A 61 15.033 -19.639 -9.425 1.00 20.32 H new ATOM 0 HA GLU A 61 14.967 -19.350 -12.187 1.00 31.01 H new ATOM 0 HB2 GLU A 61 12.858 -19.299 -10.012 1.00 41.43 H new ATOM 0 HB3 GLU A 61 12.417 -19.113 -11.698 1.00 41.43 H new ATOM 0 HG2 GLU A 61 14.078 -21.456 -10.742 1.00 13.41 H new ATOM 0 HG3 GLU A 61 12.328 -21.478 -10.665 1.00 13.41 H new ATOM 928 N GLU A 62 13.735 -16.684 -10.647 1.00 34.43 N ATOM 929 CA GLU A 62 13.489 -15.255 -10.802 1.00 31.43 C ATOM 930 C GLU A 62 14.798 -14.496 -10.996 1.00 62.10 C ATOM 931 O GLU A 62 14.806 -13.366 -11.483 1.00 63.23 O ATOM 932 CB GLU A 62 12.745 -14.708 -9.582 1.00 3.14 C ATOM 933 CG GLU A 62 11.284 -15.119 -9.524 1.00 73.35 C ATOM 934 CD GLU A 62 11.075 -16.430 -8.792 1.00 31.42 C ATOM 935 OE1 GLU A 62 11.458 -17.484 -9.342 1.00 23.21 O ATOM 936 OE2 GLU A 62 10.528 -16.403 -7.670 1.00 23.15 O ATOM 0 H GLU A 62 13.420 -17.072 -9.758 1.00 34.43 H new ATOM 0 HA GLU A 62 12.872 -15.112 -11.689 1.00 31.43 H new ATOM 0 HB2 GLU A 62 13.246 -15.052 -8.677 1.00 3.14 H new ATOM 0 HB3 GLU A 62 12.807 -13.620 -9.587 1.00 3.14 H new ATOM 0 HG2 GLU A 62 10.710 -14.336 -9.030 1.00 73.35 H new ATOM 0 HG3 GLU A 62 10.895 -15.208 -10.538 1.00 73.35 H new ATOM 943 N ALA A 63 15.903 -15.126 -10.610 1.00 43.25 N ATOM 944 CA ALA A 63 17.218 -14.511 -10.743 1.00 64.32 C ATOM 945 C ALA A 63 17.721 -14.596 -12.180 1.00 42.53 C ATOM 946 O ALA A 63 18.482 -13.740 -12.632 1.00 20.32 O ATOM 947 CB ALA A 63 18.208 -15.173 -9.796 1.00 22.20 C ATOM 0 H ALA A 63 15.914 -16.061 -10.203 1.00 43.25 H new ATOM 0 HA ALA A 63 17.127 -13.457 -10.479 1.00 64.32 H new ATOM 0 HB1 ALA A 63 19.186 -14.704 -9.906 1.00 22.20 H new ATOM 0 HB2 ALA A 63 17.863 -15.056 -8.769 1.00 22.20 H new ATOM 0 HB3 ALA A 63 18.286 -16.234 -10.034 1.00 22.20 H new ATOM 953 N GLU A 64 17.291 -15.632 -12.893 1.00 63.01 N ATOM 954 CA GLU A 64 17.700 -15.827 -14.279 1.00 64.40 C ATOM 955 C GLU A 64 16.908 -14.917 -15.213 1.00 65.35 C ATOM 956 O GLU A 64 17.431 -14.434 -16.219 1.00 35.44 O ATOM 957 CB GLU A 64 17.509 -17.289 -14.689 1.00 53.04 C ATOM 958 CG GLU A 64 18.543 -18.229 -14.094 1.00 22.11 C ATOM 959 CD GLU A 64 19.901 -18.098 -14.757 1.00 13.04 C ATOM 960 OE1 GLU A 64 20.056 -18.595 -15.892 1.00 4.22 O ATOM 961 OE2 GLU A 64 20.807 -17.499 -14.141 1.00 30.34 O ATOM 0 H GLU A 64 16.660 -16.349 -12.534 1.00 63.01 H new ATOM 0 HA GLU A 64 18.756 -15.570 -14.359 1.00 64.40 H new ATOM 0 HB2 GLU A 64 16.515 -17.616 -14.384 1.00 53.04 H new ATOM 0 HB3 GLU A 64 17.548 -17.361 -15.776 1.00 53.04 H new ATOM 0 HG2 GLU A 64 18.642 -18.026 -13.028 1.00 22.11 H new ATOM 0 HG3 GLU A 64 18.193 -19.257 -14.191 1.00 22.11 H new ATOM 968 N LYS A 65 15.644 -14.688 -14.875 1.00 43.30 N ATOM 969 CA LYS A 65 14.778 -13.836 -15.681 1.00 45.44 C ATOM 970 C LYS A 65 15.104 -12.362 -15.458 1.00 31.33 C ATOM 971 O LYS A 65 15.038 -11.555 -16.385 1.00 51.12 O ATOM 972 CB LYS A 65 13.310 -14.101 -15.344 1.00 74.32 C ATOM 973 CG LYS A 65 12.891 -13.567 -13.986 1.00 0.55 C ATOM 974 CD LYS A 65 11.427 -13.856 -13.699 1.00 62.11 C ATOM 975 CE LYS A 65 10.742 -12.668 -13.041 1.00 43.14 C ATOM 976 NZ LYS A 65 9.277 -12.886 -12.891 1.00 31.03 N ATOM 0 H LYS A 65 15.196 -15.081 -14.047 1.00 43.30 H new ATOM 0 HA LYS A 65 14.952 -14.074 -16.730 1.00 45.44 H new ATOM 0 HB2 LYS A 65 12.682 -13.649 -16.112 1.00 74.32 H new ATOM 0 HB3 LYS A 65 13.127 -15.175 -15.375 1.00 74.32 H new ATOM 0 HG2 LYS A 65 13.510 -14.017 -13.210 1.00 0.55 H new ATOM 0 HG3 LYS A 65 13.065 -12.492 -13.948 1.00 0.55 H new ATOM 0 HD2 LYS A 65 10.915 -14.103 -14.629 1.00 62.11 H new ATOM 0 HD3 LYS A 65 11.348 -14.728 -13.050 1.00 62.11 H new ATOM 0 HE2 LYS A 65 11.185 -12.490 -12.061 1.00 43.14 H new ATOM 0 HE3 LYS A 65 10.917 -11.772 -13.637 1.00 43.14 H new ATOM 0 HZ1 LYS A 65 8.764 -12.257 -13.542 1.00 31.03 H new ATOM 0 HZ2 LYS A 65 9.049 -13.876 -13.114 1.00 31.03 H new ATOM 0 HZ3 LYS A 65 8.993 -12.677 -11.912 1.00 31.03 H new ATOM 990 N ILE A 66 15.456 -12.020 -14.223 1.00 41.32 N ATOM 991 CA ILE A 66 15.794 -10.644 -13.880 1.00 22.02 C ATOM 992 C ILE A 66 17.253 -10.339 -14.203 1.00 70.42 C ATOM 993 O ILE A 66 18.120 -10.396 -13.330 1.00 73.51 O ATOM 994 CB ILE A 66 15.540 -10.357 -12.388 1.00 61.41 C ATOM 995 CG1 ILE A 66 14.059 -10.550 -12.054 1.00 64.43 C ATOM 996 CG2 ILE A 66 15.989 -8.947 -12.036 1.00 14.01 C ATOM 997 CD1 ILE A 66 13.151 -9.553 -12.739 1.00 32.50 C ATOM 0 H ILE A 66 15.515 -12.676 -13.444 1.00 41.32 H new ATOM 0 HA ILE A 66 15.149 -10.002 -14.480 1.00 22.02 H new ATOM 0 HB ILE A 66 16.122 -11.061 -11.793 1.00 61.41 H new ATOM 0 HG12 ILE A 66 13.759 -11.558 -12.339 1.00 64.43 H new ATOM 0 HG13 ILE A 66 13.925 -10.470 -10.975 1.00 64.43 H new ATOM 0 HG21 ILE A 66 15.803 -8.759 -10.979 1.00 14.01 H new ATOM 0 HG22 ILE A 66 17.054 -8.843 -12.241 1.00 14.01 H new ATOM 0 HG23 ILE A 66 15.432 -8.227 -12.636 1.00 14.01 H new ATOM 0 HD11 ILE A 66 12.117 -9.749 -12.457 1.00 32.50 H new ATOM 0 HD12 ILE A 66 13.425 -8.543 -12.435 1.00 32.50 H new ATOM 0 HD13 ILE A 66 13.256 -9.648 -13.820 1.00 32.50 H new ATOM 1009 N THR A 67 17.518 -10.013 -15.464 1.00 64.35 N ATOM 1010 CA THR A 67 18.872 -9.698 -15.904 1.00 32.51 C ATOM 1011 C THR A 67 18.930 -8.325 -16.563 1.00 63.44 C ATOM 1012 O THR A 67 19.841 -8.036 -17.341 1.00 33.13 O ATOM 1013 CB THR A 67 19.401 -10.754 -16.894 1.00 12.34 C ATOM 1014 OG1 THR A 67 18.655 -10.697 -18.115 1.00 5.00 O ATOM 1015 CG2 THR A 67 19.304 -12.150 -16.299 1.00 34.43 C ATOM 0 H THR A 67 16.813 -9.960 -16.199 1.00 64.35 H new ATOM 0 HA THR A 67 19.502 -9.698 -15.014 1.00 32.51 H new ATOM 0 HB THR A 67 20.449 -10.536 -17.098 1.00 12.34 H new ATOM 0 HG1 THR A 67 18.998 -11.370 -18.740 1.00 5.00 H new ATOM 0 HG21 THR A 67 19.683 -12.878 -17.016 1.00 34.43 H new ATOM 0 HG22 THR A 67 19.896 -12.198 -15.385 1.00 34.43 H new ATOM 0 HG23 THR A 67 18.263 -12.376 -16.069 1.00 34.43 H new ATOM 1023 N THR A 68 17.953 -7.480 -16.248 1.00 65.42 N ATOM 1024 CA THR A 68 17.894 -6.137 -16.811 1.00 32.24 C ATOM 1025 C THR A 68 17.180 -5.177 -15.866 1.00 75.03 C ATOM 1026 O THR A 68 16.319 -5.584 -15.085 1.00 4.40 O ATOM 1027 CB THR A 68 17.174 -6.130 -18.173 1.00 4.24 C ATOM 1028 OG1 THR A 68 15.888 -6.747 -18.050 1.00 52.44 O ATOM 1029 CG2 THR A 68 17.996 -6.863 -19.223 1.00 10.55 C ATOM 0 H THR A 68 17.192 -7.702 -15.606 1.00 65.42 H new ATOM 0 HA THR A 68 18.923 -5.807 -16.951 1.00 32.24 H new ATOM 0 HB THR A 68 17.051 -5.094 -18.489 1.00 4.24 H new ATOM 0 HG1 THR A 68 15.436 -6.737 -18.919 1.00 52.44 H new ATOM 0 HG21 THR A 68 17.468 -6.845 -20.176 1.00 10.55 H new ATOM 0 HG22 THR A 68 18.963 -6.373 -19.335 1.00 10.55 H new ATOM 0 HG23 THR A 68 18.147 -7.896 -18.911 1.00 10.55 H new ATOM 1037 N VAL A 69 17.541 -3.900 -15.943 1.00 72.15 N ATOM 1038 CA VAL A 69 16.933 -2.881 -15.096 1.00 53.04 C ATOM 1039 C VAL A 69 15.411 -2.944 -15.167 1.00 21.33 C ATOM 1040 O VAL A 69 14.741 -3.123 -14.150 1.00 75.04 O ATOM 1041 CB VAL A 69 17.396 -1.468 -15.498 1.00 12.11 C ATOM 1042 CG1 VAL A 69 16.836 -0.430 -14.538 1.00 3.54 C ATOM 1043 CG2 VAL A 69 18.915 -1.399 -15.545 1.00 12.10 C ATOM 0 H VAL A 69 18.252 -3.547 -16.584 1.00 72.15 H new ATOM 0 HA VAL A 69 17.255 -3.085 -14.075 1.00 53.04 H new ATOM 0 HB VAL A 69 17.014 -1.249 -16.495 1.00 12.11 H new ATOM 0 HG11 VAL A 69 17.174 0.562 -14.838 1.00 3.54 H new ATOM 0 HG12 VAL A 69 15.747 -0.465 -14.560 1.00 3.54 H new ATOM 0 HG13 VAL A 69 17.186 -0.643 -13.528 1.00 3.54 H new ATOM 0 HG21 VAL A 69 19.225 -0.394 -15.831 1.00 12.10 H new ATOM 0 HG22 VAL A 69 19.321 -1.638 -14.562 1.00 12.10 H new ATOM 0 HG23 VAL A 69 19.289 -2.116 -16.276 1.00 12.10 H new ATOM 1053 N GLN A 70 14.873 -2.797 -16.373 1.00 43.02 N ATOM 1054 CA GLN A 70 13.430 -2.837 -16.576 1.00 31.34 C ATOM 1055 C GLN A 70 12.825 -4.082 -15.935 1.00 31.11 C ATOM 1056 O GLN A 70 11.795 -4.009 -15.265 1.00 61.00 O ATOM 1057 CB GLN A 70 13.102 -2.808 -18.070 1.00 2.35 C ATOM 1058 CG GLN A 70 11.751 -2.186 -18.384 1.00 30.02 C ATOM 1059 CD GLN A 70 10.668 -2.626 -17.419 1.00 75.11 C ATOM 1060 OE1 GLN A 70 10.040 -3.669 -17.606 1.00 24.33 O ATOM 1061 NE2 GLN A 70 10.441 -1.831 -16.380 1.00 24.33 N ATOM 0 H GLN A 70 15.415 -2.649 -17.224 1.00 43.02 H new ATOM 0 HA GLN A 70 12.997 -1.957 -16.099 1.00 31.34 H new ATOM 0 HB2 GLN A 70 13.879 -2.251 -18.593 1.00 2.35 H new ATOM 0 HB3 GLN A 70 13.123 -3.826 -18.458 1.00 2.35 H new ATOM 0 HG2 GLN A 70 11.840 -1.100 -18.354 1.00 30.02 H new ATOM 0 HG3 GLN A 70 11.459 -2.454 -19.399 1.00 30.02 H new ATOM 0 HE21 GLN A 70 10.985 -0.976 -16.264 1.00 24.33 H new ATOM 0 HE22 GLN A 70 9.723 -2.075 -15.698 1.00 24.33 H new ATOM 1070 N ALA A 71 13.472 -5.224 -16.146 1.00 15.24 N ATOM 1071 CA ALA A 71 12.998 -6.484 -15.587 1.00 61.22 C ATOM 1072 C ALA A 71 12.948 -6.426 -14.064 1.00 41.42 C ATOM 1073 O ALA A 71 11.953 -6.812 -13.451 1.00 45.12 O ATOM 1074 CB ALA A 71 13.887 -7.631 -16.044 1.00 63.12 C ATOM 0 H ALA A 71 14.325 -5.302 -16.700 1.00 15.24 H new ATOM 0 HA ALA A 71 11.985 -6.656 -15.951 1.00 61.22 H new ATOM 0 HB1 ALA A 71 13.522 -8.566 -15.619 1.00 63.12 H new ATOM 0 HB2 ALA A 71 13.868 -7.695 -17.132 1.00 63.12 H new ATOM 0 HB3 ALA A 71 14.909 -7.455 -15.709 1.00 63.12 H new ATOM 1080 N ALA A 72 14.028 -5.941 -13.460 1.00 14.44 N ATOM 1081 CA ALA A 72 14.106 -5.830 -12.008 1.00 73.43 C ATOM 1082 C ALA A 72 13.064 -4.853 -11.475 1.00 74.20 C ATOM 1083 O ALA A 72 12.210 -5.221 -10.667 1.00 61.44 O ATOM 1084 CB ALA A 72 15.502 -5.398 -11.586 1.00 61.12 C ATOM 0 H ALA A 72 14.861 -5.619 -13.953 1.00 14.44 H new ATOM 0 HA ALA A 72 13.897 -6.811 -11.582 1.00 73.43 H new ATOM 0 HB1 ALA A 72 15.546 -5.319 -10.500 1.00 61.12 H new ATOM 0 HB2 ALA A 72 16.229 -6.135 -11.926 1.00 61.12 H new ATOM 0 HB3 ALA A 72 15.733 -4.429 -12.030 1.00 61.12 H new ATOM 1090 N ILE A 73 13.139 -3.608 -11.931 1.00 5.51 N ATOM 1091 CA ILE A 73 12.202 -2.578 -11.499 1.00 70.23 C ATOM 1092 C ILE A 73 10.759 -3.032 -11.695 1.00 3.30 C ATOM 1093 O ILE A 73 9.872 -2.662 -10.926 1.00 31.33 O ATOM 1094 CB ILE A 73 12.422 -1.260 -12.264 1.00 41.24 C ATOM 1095 CG1 ILE A 73 11.616 -0.130 -11.620 1.00 74.32 C ATOM 1096 CG2 ILE A 73 12.037 -1.425 -13.727 1.00 21.51 C ATOM 1097 CD1 ILE A 73 12.366 0.602 -10.530 1.00 32.13 C ATOM 0 H ILE A 73 13.839 -3.287 -12.600 1.00 5.51 H new ATOM 0 HA ILE A 73 12.387 -2.408 -10.438 1.00 70.23 H new ATOM 0 HB ILE A 73 13.480 -1.001 -12.214 1.00 41.24 H new ATOM 0 HG12 ILE A 73 11.325 0.583 -12.391 1.00 74.32 H new ATOM 0 HG13 ILE A 73 10.697 -0.542 -11.204 1.00 74.32 H new ATOM 0 HG21 ILE A 73 12.198 -0.485 -14.254 1.00 21.51 H new ATOM 0 HG22 ILE A 73 12.651 -2.204 -14.179 1.00 21.51 H new ATOM 0 HG23 ILE A 73 10.986 -1.705 -13.797 1.00 21.51 H new ATOM 0 HD11 ILE A 73 11.734 1.389 -10.119 1.00 32.13 H new ATOM 0 HD12 ILE A 73 12.634 -0.099 -9.739 1.00 32.13 H new ATOM 0 HD13 ILE A 73 13.272 1.044 -10.945 1.00 32.13 H new ATOM 1109 N ASP A 74 10.533 -3.836 -12.728 1.00 13.40 N ATOM 1110 CA ASP A 74 9.198 -4.343 -13.024 1.00 12.23 C ATOM 1111 C ASP A 74 8.760 -5.364 -11.978 1.00 3.52 C ATOM 1112 O ASP A 74 7.609 -5.365 -11.540 1.00 44.23 O ATOM 1113 CB ASP A 74 9.166 -4.975 -14.416 1.00 21.11 C ATOM 1114 CG ASP A 74 7.771 -5.403 -14.826 1.00 14.11 C ATOM 1115 OD1 ASP A 74 6.868 -4.539 -14.851 1.00 64.50 O ATOM 1116 OD2 ASP A 74 7.581 -6.601 -15.123 1.00 11.25 O ATOM 0 H ASP A 74 11.257 -4.151 -13.374 1.00 13.40 H new ATOM 0 HA ASP A 74 8.504 -3.503 -12.999 1.00 12.23 H new ATOM 0 HB2 ASP A 74 9.553 -4.262 -15.144 1.00 21.11 H new ATOM 0 HB3 ASP A 74 9.828 -5.840 -14.434 1.00 21.11 H new ATOM 1121 N TYR A 75 9.685 -6.231 -11.582 1.00 42.12 N ATOM 1122 CA TYR A 75 9.394 -7.259 -10.590 1.00 62.33 C ATOM 1123 C TYR A 75 8.987 -6.633 -9.260 1.00 25.32 C ATOM 1124 O TYR A 75 7.901 -6.895 -8.743 1.00 70.04 O ATOM 1125 CB TYR A 75 10.612 -8.164 -10.390 1.00 54.53 C ATOM 1126 CG TYR A 75 10.295 -9.455 -9.671 1.00 11.05 C ATOM 1127 CD1 TYR A 75 9.876 -9.450 -8.346 1.00 4.15 C ATOM 1128 CD2 TYR A 75 10.415 -10.680 -10.315 1.00 20.02 C ATOM 1129 CE1 TYR A 75 9.587 -10.627 -7.684 1.00 35.35 C ATOM 1130 CE2 TYR A 75 10.126 -11.862 -9.661 1.00 71.22 C ATOM 1131 CZ TYR A 75 9.712 -11.831 -8.346 1.00 3.33 C ATOM 1132 OH TYR A 75 9.425 -13.006 -7.691 1.00 33.23 O ATOM 0 H TYR A 75 10.643 -6.242 -11.933 1.00 42.12 H new ATOM 0 HA TYR A 75 8.561 -7.858 -10.958 1.00 62.33 H new ATOM 0 HB2 TYR A 75 11.045 -8.397 -11.363 1.00 54.53 H new ATOM 0 HB3 TYR A 75 11.370 -7.620 -9.826 1.00 54.53 H new ATOM 0 HD1 TYR A 75 9.775 -8.509 -7.825 1.00 4.15 H new ATOM 0 HD2 TYR A 75 10.740 -10.709 -11.345 1.00 20.02 H new ATOM 0 HE1 TYR A 75 9.265 -10.605 -6.653 1.00 35.35 H new ATOM 0 HE2 TYR A 75 10.224 -12.806 -10.177 1.00 71.22 H new ATOM 0 HH TYR A 75 8.525 -12.955 -7.307 1.00 33.23 H new ATOM 1142 N VAL A 76 9.868 -5.804 -8.710 1.00 4.33 N ATOM 1143 CA VAL A 76 9.602 -5.138 -7.440 1.00 42.23 C ATOM 1144 C VAL A 76 8.350 -4.272 -7.526 1.00 22.23 C ATOM 1145 O VAL A 76 7.572 -4.193 -6.576 1.00 71.43 O ATOM 1146 CB VAL A 76 10.791 -4.260 -7.007 1.00 3.03 C ATOM 1147 CG1 VAL A 76 10.498 -3.583 -5.677 1.00 2.43 C ATOM 1148 CG2 VAL A 76 12.063 -5.090 -6.923 1.00 21.23 C ATOM 0 H VAL A 76 10.772 -5.577 -9.124 1.00 4.33 H new ATOM 0 HA VAL A 76 9.449 -5.921 -6.698 1.00 42.23 H new ATOM 0 HB VAL A 76 10.940 -3.484 -7.758 1.00 3.03 H new ATOM 0 HG11 VAL A 76 11.349 -2.967 -5.387 1.00 2.43 H new ATOM 0 HG12 VAL A 76 9.612 -2.955 -5.776 1.00 2.43 H new ATOM 0 HG13 VAL A 76 10.322 -4.341 -4.914 1.00 2.43 H new ATOM 0 HG21 VAL A 76 12.893 -4.454 -6.616 1.00 21.23 H new ATOM 0 HG22 VAL A 76 11.929 -5.889 -6.194 1.00 21.23 H new ATOM 0 HG23 VAL A 76 12.280 -5.523 -7.899 1.00 21.23 H new ATOM 1158 N ASN A 77 8.162 -3.624 -8.671 1.00 24.31 N ATOM 1159 CA ASN A 77 7.004 -2.763 -8.881 1.00 60.50 C ATOM 1160 C ASN A 77 5.744 -3.593 -9.111 1.00 23.03 C ATOM 1161 O ASN A 77 4.627 -3.095 -8.971 1.00 61.53 O ATOM 1162 CB ASN A 77 7.242 -1.836 -10.074 1.00 53.41 C ATOM 1163 CG ASN A 77 6.149 -0.794 -10.223 1.00 63.45 C ATOM 1164 OD1 ASN A 77 6.474 0.453 -9.906 1.00 40.41 O flip ATOM 1165 ND2 ASN A 77 5.027 -1.109 -10.620 1.00 1.43 N flip ATOM 0 H ASN A 77 8.797 -3.679 -9.468 1.00 24.31 H new ATOM 0 HA ASN A 77 6.862 -2.161 -7.984 1.00 60.50 H new ATOM 0 HB2 ASN A 77 8.203 -1.336 -9.956 1.00 53.41 H new ATOM 0 HB3 ASN A 77 7.301 -2.430 -10.986 1.00 53.41 H new ATOM 0 HD21 ASN A 77 4.822 -2.081 -10.852 1.00 1.43 H new ATOM 0 HD22 ASN A 77 4.302 -0.398 -10.717 1.00 1.43 H new ATOM 1172 N SER A 78 5.933 -4.861 -9.463 1.00 2.31 N ATOM 1173 CA SER A 78 4.813 -5.759 -9.715 1.00 73.12 C ATOM 1174 C SER A 78 4.437 -6.527 -8.451 1.00 55.53 C ATOM 1175 O SER A 78 3.310 -7.004 -8.313 1.00 71.12 O ATOM 1176 CB SER A 78 5.160 -6.740 -10.837 1.00 4.04 C ATOM 1177 OG SER A 78 4.089 -7.635 -11.082 1.00 2.32 O ATOM 0 H SER A 78 6.851 -5.289 -9.580 1.00 2.31 H new ATOM 0 HA SER A 78 3.958 -5.156 -10.021 1.00 73.12 H new ATOM 0 HB2 SER A 78 5.392 -6.188 -11.748 1.00 4.04 H new ATOM 0 HB3 SER A 78 6.054 -7.303 -10.569 1.00 4.04 H new ATOM 0 HG SER A 78 4.335 -8.250 -11.804 1.00 2.32 H new ATOM 1183 N HIS A 79 5.389 -6.641 -7.531 1.00 15.13 N ATOM 1184 CA HIS A 79 5.158 -7.350 -6.277 1.00 3.22 C ATOM 1185 C HIS A 79 4.804 -6.374 -5.158 1.00 61.34 C ATOM 1186 O HIS A 79 3.947 -6.659 -4.323 1.00 75.31 O ATOM 1187 CB HIS A 79 6.396 -8.160 -5.890 1.00 32.01 C ATOM 1188 CG HIS A 79 6.485 -9.485 -6.582 1.00 74.21 C ATOM 1189 ND1 HIS A 79 6.338 -9.634 -7.945 1.00 52.31 N ATOM 1190 CD2 HIS A 79 6.708 -10.727 -6.092 1.00 4.11 C ATOM 1191 CE1 HIS A 79 6.466 -10.909 -8.263 1.00 73.51 C ATOM 1192 NE2 HIS A 79 6.692 -11.594 -7.156 1.00 73.14 N ATOM 0 H HIS A 79 6.327 -6.252 -7.630 1.00 15.13 H new ATOM 0 HA HIS A 79 4.318 -8.030 -6.421 1.00 3.22 H new ATOM 0 HB2 HIS A 79 7.288 -7.578 -6.122 1.00 32.01 H new ATOM 0 HB3 HIS A 79 6.392 -8.322 -4.812 1.00 32.01 H new ATOM 0 HD1 HIS A 79 6.158 -8.877 -8.605 1.00 52.31 H new ATOM 0 HD2 HIS A 79 6.869 -10.987 -5.056 1.00 4.11 H new ATOM 0 HE1 HIS A 79 6.398 -11.322 -9.259 1.00 73.51 H new ATOM 1200 N GLN A 80 5.471 -5.225 -5.149 1.00 53.54 N ATOM 1201 CA GLN A 80 5.227 -4.209 -4.132 1.00 54.54 C ATOM 1202 C GLN A 80 3.740 -3.885 -4.032 1.00 54.34 C ATOM 1203 O GLN A 80 3.250 -3.486 -2.975 1.00 30.31 O ATOM 1204 CB GLN A 80 6.017 -2.938 -4.451 1.00 21.15 C ATOM 1205 CG GLN A 80 5.584 -2.259 -5.740 1.00 64.20 C ATOM 1206 CD GLN A 80 4.389 -1.347 -5.547 1.00 2.13 C ATOM 1207 OE1 GLN A 80 3.943 -1.119 -4.422 1.00 2.12 O ATOM 1208 NE2 GLN A 80 3.863 -0.819 -6.646 1.00 3.23 N ATOM 0 H GLN A 80 6.184 -4.974 -5.834 1.00 53.54 H new ATOM 0 HA GLN A 80 5.560 -4.604 -3.172 1.00 54.54 H new ATOM 0 HB2 GLN A 80 5.907 -2.235 -3.625 1.00 21.15 H new ATOM 0 HB3 GLN A 80 7.076 -3.186 -4.519 1.00 21.15 H new ATOM 0 HG2 GLN A 80 6.417 -1.680 -6.139 1.00 64.20 H new ATOM 0 HG3 GLN A 80 5.340 -3.019 -6.482 1.00 64.20 H new ATOM 0 HE21 GLN A 80 4.265 -1.035 -7.558 1.00 3.23 H new ATOM 0 HE22 GLN A 80 3.057 -0.197 -6.578 1.00 3.23 H new TER 1217 GLN A 80