USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 869 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 16 LYS NZ :NH3+ 152:sc= 1.23 (180deg=-0.201) USER MOD Set 1.2: A 22 ASN : amide:sc= 0.897 K(o=1.5,f=-13!) USER MOD Set 1.3: A 109 SER OG : rot -7:sc= -0.619! USER MOD Set 2.1: A 7 LYS NZ :NH3+ -177:sc= 1.06 (180deg=-0.193) USER MOD Set 2.2: A 81 SER OG : rot 180:sc= 1.01 USER MOD Set 3.1: A 12 HIS : no HD1:sc= -1.43 K(o=-2.9,f=-15!) USER MOD Set 3.2: A 66 SER OG : rot -54:sc= 1.2 USER MOD Set 3.3: A 68 CYS SG : rot 130:sc= 0.662 USER MOD Set 3.4: A 70 SER OG : rot 7:sc= -0.388 USER MOD Set 3.5: A 107 THR OG1 : rot -132:sc= 0.871 USER MOD Set 3.6: A 112 HIS :FLIP no HD1:sc= -3.83! C(o=-4.4!,f=-2.9!) USER MOD Set 4.1: A 25 SER OG : rot -163:sc= -0.73 USER MOD Set 4.2: A 28 THR OG1 : rot -93:sc= 1.26 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -80:sc= 1.11 USER MOD Single : A 20 SER OG : rot -68:sc= 1.62 USER MOD Single : A 31 SER OG : rot 180:sc= -0.102 USER MOD Single : A 32 THR OG1 : rot -162:sc= -0.404! USER MOD Single : A 36 THR OG1 : rot -78:sc= 1.57 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0206) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.096 F(o=-2.4!,f=-0.096) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 160:sc= -0.176 USER MOD Single : A 49 GLN : amide:sc= 0.131 X(o=0.13,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.436 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -55:sc= -0.528 USER MOD Single : A 64 GLN : amide:sc= 1.18 K(o=1.2,f=-0.098) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 68:sc= 0.909 USER MOD Single : A 85 MET CE :methyl -179:sc= -0.923 (180deg=-0.927) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 165:sc= -0.0384 (180deg=-0.236) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 75:sc= -2.92! USER MOD Single : A 106 GLN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 -26.089 -4.867 1.644 1.00 4.59 N ATOM 2 CA MET A 4 -26.130 -5.917 0.597 1.00 4.13 C ATOM 3 C MET A 4 -25.207 -5.564 -0.560 1.00 3.08 C ATOM 4 O MET A 4 -25.660 -5.239 -1.658 1.00 3.52 O ATOM 5 CB MET A 4 -27.559 -6.119 0.080 1.00 4.92 C ATOM 6 CG MET A 4 -28.483 -6.785 1.086 1.00 5.54 C ATOM 7 SD MET A 4 -30.136 -7.076 0.427 1.00 6.61 S ATOM 8 CE MET A 4 -30.892 -7.943 1.802 1.00 7.23 C ATOM 0 HA MET A 4 -25.787 -6.848 1.048 1.00 4.13 H new ATOM 0 HB2 MET A 4 -27.976 -5.151 -0.198 1.00 4.92 H new ATOM 0 HB3 MET A 4 -27.526 -6.724 -0.826 1.00 4.92 H new ATOM 0 HG2 MET A 4 -28.049 -7.735 1.399 1.00 5.54 H new ATOM 0 HG3 MET A 4 -28.556 -6.159 1.976 1.00 5.54 H new ATOM 0 HE1 MET A 4 -31.923 -8.194 1.551 1.00 7.23 H new ATOM 0 HE2 MET A 4 -30.335 -8.857 2.006 1.00 7.23 H new ATOM 0 HE3 MET A 4 -30.879 -7.305 2.686 1.00 7.23 H new ATOM 20 N SER A 5 -23.911 -5.622 -0.305 1.00 2.21 N ATOM 21 CA SER A 5 -22.915 -5.337 -1.320 1.00 1.64 C ATOM 22 C SER A 5 -21.588 -5.974 -0.934 1.00 1.29 C ATOM 23 O SER A 5 -21.450 -6.510 0.165 1.00 1.48 O ATOM 24 CB SER A 5 -22.757 -3.823 -1.491 1.00 2.23 C ATOM 25 OG SER A 5 -22.590 -3.180 -0.238 1.00 2.88 O ATOM 0 H SER A 5 -23.523 -5.867 0.606 1.00 2.21 H new ATOM 0 HA SER A 5 -23.241 -5.759 -2.271 1.00 1.64 H new ATOM 0 HB2 SER A 5 -21.897 -3.614 -2.127 1.00 2.23 H new ATOM 0 HB3 SER A 5 -23.634 -3.418 -1.997 1.00 2.23 H new ATOM 0 HG SER A 5 -22.490 -2.215 -0.376 1.00 2.88 H new ATOM 31 N GLU A 6 -20.628 -5.931 -1.840 1.00 1.02 N ATOM 32 CA GLU A 6 -19.308 -6.485 -1.581 1.00 0.78 C ATOM 33 C GLU A 6 -18.238 -5.685 -2.309 1.00 0.71 C ATOM 34 O GLU A 6 -17.055 -5.779 -1.984 1.00 1.06 O ATOM 35 CB GLU A 6 -19.250 -7.953 -2.011 1.00 0.86 C ATOM 36 CG GLU A 6 -19.497 -8.168 -3.493 1.00 1.37 C ATOM 37 CD GLU A 6 -19.667 -9.627 -3.845 1.00 2.17 C ATOM 38 OE1 GLU A 6 -20.783 -10.158 -3.681 1.00 2.56 O ATOM 39 OE2 GLU A 6 -18.683 -10.249 -4.297 1.00 2.80 O ATOM 0 H GLU A 6 -20.737 -5.517 -2.766 1.00 1.02 H new ATOM 0 HA GLU A 6 -19.118 -6.425 -0.509 1.00 0.78 H new ATOM 0 HB2 GLU A 6 -18.272 -8.359 -1.753 1.00 0.86 H new ATOM 0 HB3 GLU A 6 -19.990 -8.518 -1.443 1.00 0.86 H new ATOM 0 HG2 GLU A 6 -20.390 -7.619 -3.793 1.00 1.37 H new ATOM 0 HG3 GLU A 6 -18.663 -7.755 -4.061 1.00 1.37 H new ATOM 46 N LYS A 7 -18.654 -4.903 -3.298 1.00 0.57 N ATOM 47 CA LYS A 7 -17.723 -4.108 -4.080 1.00 0.51 C ATOM 48 C LYS A 7 -17.263 -2.881 -3.309 1.00 0.42 C ATOM 49 O LYS A 7 -18.057 -2.000 -2.978 1.00 0.60 O ATOM 50 CB LYS A 7 -18.348 -3.695 -5.411 1.00 0.64 C ATOM 51 CG LYS A 7 -18.443 -4.837 -6.408 1.00 0.92 C ATOM 52 CD LYS A 7 -17.069 -5.261 -6.909 1.00 0.87 C ATOM 53 CE LYS A 7 -17.165 -6.415 -7.895 1.00 1.10 C ATOM 54 NZ LYS A 7 -17.753 -7.635 -7.280 1.00 1.19 N ATOM 0 H LYS A 7 -19.631 -4.804 -3.575 1.00 0.57 H new ATOM 0 HA LYS A 7 -16.850 -4.728 -4.283 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.346 -3.297 -5.228 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -17.758 -2.889 -5.847 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -18.939 -5.688 -5.941 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -19.061 -4.532 -7.253 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -16.578 -4.413 -7.387 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -16.447 -5.555 -6.063 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -17.772 -6.112 -8.748 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -16.171 -6.647 -8.278 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -17.751 -8.409 -7.975 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -17.189 -7.912 -6.451 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -18.730 -7.438 -6.984 1.00 1.19 H new ATOM 68 N LEU A 8 -15.979 -2.851 -3.017 1.00 0.33 N ATOM 69 CA LEU A 8 -15.358 -1.728 -2.343 1.00 0.26 C ATOM 70 C LEU A 8 -14.299 -1.142 -3.265 1.00 0.22 C ATOM 71 O LEU A 8 -13.979 -1.745 -4.285 1.00 0.22 O ATOM 72 CB LEU A 8 -14.717 -2.196 -1.039 1.00 0.25 C ATOM 73 CG LEU A 8 -14.441 -1.103 -0.009 1.00 0.33 C ATOM 74 CD1 LEU A 8 -15.735 -0.657 0.646 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.447 -1.600 1.028 1.00 0.81 C ATOM 0 H LEU A 8 -15.333 -3.608 -3.241 1.00 0.33 H new ATOM 0 HA LEU A 8 -16.106 -0.971 -2.107 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.367 -2.943 -0.584 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.776 -2.693 -1.276 1.00 0.25 H new ATOM 0 HG LEU A 8 -14.004 -0.242 -0.514 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -15.523 0.122 1.378 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -16.412 -0.266 -0.114 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -16.202 -1.506 1.145 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -13.258 -0.812 1.757 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -13.857 -2.473 1.535 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -12.513 -1.871 0.536 1.00 0.81 H new ATOM 87 N ARG A 9 -13.759 0.012 -2.926 1.00 0.24 N ATOM 88 CA ARG A 9 -12.696 0.610 -3.717 1.00 0.23 C ATOM 89 C ARG A 9 -11.683 1.292 -2.810 1.00 0.20 C ATOM 90 O ARG A 9 -12.065 2.023 -1.893 1.00 0.21 O ATOM 91 CB ARG A 9 -13.266 1.626 -4.705 1.00 0.25 C ATOM 92 CG ARG A 9 -12.184 2.362 -5.463 1.00 0.26 C ATOM 93 CD ARG A 9 -12.735 3.467 -6.337 1.00 0.34 C ATOM 94 NE ARG A 9 -11.653 4.273 -6.890 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.779 5.545 -7.250 1.00 0.81 C ATOM 96 NH1 ARG A 9 -12.958 6.149 -7.188 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.719 6.209 -7.676 1.00 0.98 N ATOM 0 H ARG A 9 -14.037 0.556 -2.109 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.200 -0.184 -4.275 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -13.918 1.114 -5.413 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.883 2.346 -4.167 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.472 2.785 -4.754 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.634 1.654 -6.083 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.326 3.037 -7.146 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.405 4.099 -5.754 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.741 3.832 -7.008 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.777 5.636 -6.862 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.046 7.126 -7.466 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.812 5.744 -7.726 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.807 7.186 -7.954 1.00 0.98 H new ATOM 111 N ALA A 10 -10.393 1.070 -3.060 1.00 0.20 N ATOM 112 CA ALA A 10 -9.373 1.653 -2.202 1.00 0.17 C ATOM 113 C ALA A 10 -8.038 1.808 -2.923 1.00 0.16 C ATOM 114 O ALA A 10 -7.746 1.085 -3.864 1.00 0.17 O ATOM 115 CB ALA A 10 -9.205 0.797 -0.955 1.00 0.22 C ATOM 0 H ALA A 10 -10.039 0.504 -3.831 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.703 2.653 -1.920 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.441 1.235 -0.313 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.150 0.752 -0.414 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.904 -0.210 -1.243 1.00 0.22 H new ATOM 121 N ALA A 11 -7.236 2.760 -2.467 1.00 0.17 N ATOM 122 CA ALA A 11 -5.915 3.003 -3.028 1.00 0.18 C ATOM 123 C ALA A 11 -4.863 2.405 -2.108 1.00 0.17 C ATOM 124 O ALA A 11 -4.907 2.618 -0.897 1.00 0.19 O ATOM 125 CB ALA A 11 -5.678 4.499 -3.222 1.00 0.20 C ATOM 0 H ALA A 11 -7.482 3.384 -1.699 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.847 2.528 -4.007 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.685 4.659 -3.642 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.429 4.901 -3.902 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.751 5.007 -2.260 1.00 0.20 H new ATOM 131 N HIS A 12 -3.922 1.662 -2.671 1.00 0.16 N ATOM 132 CA HIS A 12 -2.975 0.918 -1.850 1.00 0.16 C ATOM 133 C HIS A 12 -1.542 1.101 -2.334 1.00 0.15 C ATOM 134 O HIS A 12 -1.289 1.269 -3.526 1.00 0.19 O ATOM 135 CB HIS A 12 -3.337 -0.572 -1.829 1.00 0.17 C ATOM 136 CG HIS A 12 -2.852 -1.366 -3.012 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.355 -1.221 -4.280 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.904 -2.329 -3.097 1.00 0.22 C ATOM 139 CE1 HIS A 12 -2.743 -2.067 -5.089 1.00 0.23 C ATOM 140 NE2 HIS A 12 -1.859 -2.749 -4.396 1.00 0.21 N ATOM 0 H HIS A 12 -3.793 1.558 -3.677 1.00 0.16 H new ATOM 0 HA HIS A 12 -3.039 1.316 -0.837 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.928 -1.016 -0.921 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.421 -0.665 -1.769 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.294 -2.698 -2.285 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -2.937 -2.180 -6.145 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.242 -3.472 -4.766 1.00 0.21 H new ATOM 149 N LEU A 13 -0.613 1.050 -1.394 1.00 0.15 N ATOM 150 CA LEU A 13 0.803 1.155 -1.699 1.00 0.14 C ATOM 151 C LEU A 13 1.499 -0.106 -1.196 1.00 0.16 C ATOM 152 O LEU A 13 1.068 -0.698 -0.207 1.00 0.24 O ATOM 153 CB LEU A 13 1.383 2.425 -1.047 1.00 0.15 C ATOM 154 CG LEU A 13 2.688 2.970 -1.649 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.851 4.441 -1.305 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.895 2.194 -1.150 1.00 0.18 C ATOM 0 H LEU A 13 -0.819 0.935 -0.402 1.00 0.15 H new ATOM 0 HA LEU A 13 0.962 1.238 -2.774 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.629 3.210 -1.100 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.555 2.218 0.009 1.00 0.15 H new ATOM 0 HG LEU A 13 2.628 2.853 -2.731 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.779 4.815 -1.737 1.00 0.16 H new ATOM 0 HD12 LEU A 13 2.010 5.004 -1.709 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.881 4.560 -0.222 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.801 2.605 -1.595 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.955 2.274 -0.065 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.796 1.146 -1.432 1.00 0.18 H new ATOM 168 N LEU A 14 2.535 -0.533 -1.898 1.00 0.13 N ATOM 169 CA LEU A 14 3.265 -1.744 -1.546 1.00 0.14 C ATOM 170 C LEU A 14 4.760 -1.468 -1.535 1.00 0.16 C ATOM 171 O LEU A 14 5.275 -0.840 -2.450 1.00 0.27 O ATOM 172 CB LEU A 14 2.926 -2.860 -2.547 1.00 0.16 C ATOM 173 CG LEU A 14 3.818 -4.111 -2.509 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.821 -4.754 -1.131 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.353 -5.112 -3.554 1.00 0.27 C ATOM 0 H LEU A 14 2.894 -0.055 -2.724 1.00 0.13 H new ATOM 0 HA LEU A 14 2.970 -2.067 -0.548 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.895 -3.171 -2.375 1.00 0.16 H new ATOM 0 HB3 LEU A 14 2.969 -2.441 -3.552 1.00 0.16 H new ATOM 0 HG LEU A 14 4.839 -3.802 -2.733 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.462 -5.635 -1.142 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.197 -4.041 -0.398 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.806 -5.047 -0.864 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.990 -5.996 -3.520 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.322 -5.400 -3.348 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.413 -4.659 -4.544 1.00 0.27 H new ATOM 187 N VAL A 15 5.435 -1.911 -0.486 1.00 0.13 N ATOM 188 CA VAL A 15 6.885 -1.792 -0.405 1.00 0.13 C ATOM 189 C VAL A 15 7.510 -3.170 -0.200 1.00 0.13 C ATOM 190 O VAL A 15 7.069 -3.942 0.657 1.00 0.15 O ATOM 191 CB VAL A 15 7.329 -0.852 0.744 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.844 -0.713 0.776 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.678 0.516 0.610 1.00 0.15 C ATOM 0 H VAL A 15 5.003 -2.357 0.323 1.00 0.13 H new ATOM 0 HA VAL A 15 7.228 -1.359 -1.345 1.00 0.13 H new ATOM 0 HB VAL A 15 7.003 -1.298 1.683 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.131 -0.048 1.591 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.296 -1.693 0.930 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.191 -0.298 -0.170 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.006 1.157 1.429 1.00 0.15 H new ATOM 0 HG22 VAL A 15 6.967 0.965 -0.340 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.594 0.408 0.646 1.00 0.15 H new ATOM 203 N LYS A 16 8.509 -3.476 -1.007 1.00 0.15 N ATOM 204 CA LYS A 16 9.248 -4.721 -0.899 1.00 0.17 C ATOM 205 C LYS A 16 10.606 -4.467 -0.264 1.00 0.16 C ATOM 206 O LYS A 16 11.169 -3.379 -0.387 1.00 0.24 O ATOM 207 CB LYS A 16 9.442 -5.352 -2.283 1.00 0.23 C ATOM 208 CG LYS A 16 8.155 -5.807 -2.945 1.00 0.26 C ATOM 209 CD LYS A 16 7.568 -7.021 -2.248 1.00 0.37 C ATOM 210 CE LYS A 16 6.260 -7.451 -2.887 1.00 0.48 C ATOM 211 NZ LYS A 16 6.421 -7.809 -4.321 1.00 0.62 N ATOM 0 H LYS A 16 8.832 -2.866 -1.758 1.00 0.15 H new ATOM 0 HA LYS A 16 8.677 -5.407 -0.273 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.936 -4.630 -2.933 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.111 -6.207 -2.189 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.430 -4.993 -2.931 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.347 -6.045 -3.991 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.281 -7.844 -2.287 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.402 -6.793 -1.195 1.00 0.37 H new ATOM 0 HE2 LYS A 16 5.858 -8.307 -2.345 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.532 -6.645 -2.796 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.699 -8.508 -4.587 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 6.310 -6.956 -4.906 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.367 -8.213 -4.474 1.00 0.62 H new ATOM 225 N PHE A 17 11.133 -5.478 0.397 1.00 0.17 N ATOM 226 CA PHE A 17 12.403 -5.362 1.093 1.00 0.17 C ATOM 227 C PHE A 17 13.193 -6.654 0.976 1.00 0.19 C ATOM 228 O PHE A 17 12.652 -7.681 0.577 1.00 0.21 O ATOM 229 CB PHE A 17 12.193 -4.973 2.561 1.00 0.17 C ATOM 230 CG PHE A 17 11.276 -5.875 3.346 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.760 -7.012 3.975 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.930 -5.565 3.477 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.920 -7.823 4.715 1.00 0.23 C ATOM 234 CE2 PHE A 17 9.088 -6.369 4.221 1.00 0.23 C ATOM 235 CZ PHE A 17 9.582 -7.499 4.840 1.00 0.25 C ATOM 0 H PHE A 17 10.698 -6.398 0.468 1.00 0.17 H new ATOM 0 HA PHE A 17 12.980 -4.567 0.621 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.164 -4.952 3.056 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.795 -3.959 2.597 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.806 -7.267 3.886 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.536 -4.685 2.992 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.309 -8.709 5.195 1.00 0.23 H new ATOM 0 HE2 PHE A 17 8.043 -6.113 4.318 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.925 -8.129 5.421 1.00 0.25 H new ATOM 245 N SER A 18 14.480 -6.582 1.250 1.00 0.22 N ATOM 246 CA SER A 18 15.339 -7.754 1.208 1.00 0.26 C ATOM 247 C SER A 18 14.750 -8.893 2.045 1.00 0.30 C ATOM 248 O SER A 18 14.640 -8.793 3.268 1.00 0.30 O ATOM 249 CB SER A 18 16.741 -7.383 1.698 1.00 0.29 C ATOM 250 OG SER A 18 16.700 -6.740 2.961 1.00 1.04 O ATOM 0 H SER A 18 14.959 -5.719 1.506 1.00 0.22 H new ATOM 0 HA SER A 18 15.408 -8.104 0.178 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.353 -8.283 1.767 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.219 -6.727 0.971 1.00 0.29 H new ATOM 0 HG SER A 18 16.458 -5.798 2.841 1.00 1.04 H new ATOM 256 N GLY A 19 14.342 -9.963 1.372 1.00 0.35 N ATOM 257 CA GLY A 19 13.771 -11.098 2.068 1.00 0.45 C ATOM 258 C GLY A 19 12.253 -11.097 2.066 1.00 0.42 C ATOM 259 O GLY A 19 11.632 -11.920 2.732 1.00 0.53 O ATOM 0 H GLY A 19 14.397 -10.064 0.358 1.00 0.35 H new ATOM 0 HA2 GLY A 19 14.128 -12.018 1.605 1.00 0.45 H new ATOM 0 HA3 GLY A 19 14.127 -11.101 3.098 1.00 0.45 H new ATOM 263 N SER A 20 11.643 -10.192 1.305 1.00 0.34 N ATOM 264 CA SER A 20 10.196 -10.057 1.307 1.00 0.41 C ATOM 265 C SER A 20 9.562 -10.981 0.272 1.00 0.40 C ATOM 266 O SER A 20 8.695 -10.559 -0.493 1.00 0.45 O ATOM 267 CB SER A 20 9.805 -8.601 1.028 1.00 0.51 C ATOM 268 OG SER A 20 10.287 -8.166 -0.234 1.00 0.70 O ATOM 0 H SER A 20 12.129 -9.546 0.683 1.00 0.34 H new ATOM 0 HA SER A 20 9.825 -10.344 2.291 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.720 -8.502 1.058 1.00 0.51 H new ATOM 0 HB3 SER A 20 10.205 -7.959 1.813 1.00 0.51 H new ATOM 0 HG SER A 20 11.265 -8.112 -0.210 1.00 0.70 H new ATOM 274 N ARG A 21 10.022 -12.235 0.243 1.00 0.43 N ATOM 275 CA ARG A 21 9.538 -13.245 -0.702 1.00 0.49 C ATOM 276 C ARG A 21 10.115 -13.007 -2.100 1.00 0.51 C ATOM 277 O ARG A 21 10.352 -13.949 -2.853 1.00 0.60 O ATOM 278 CB ARG A 21 8.001 -13.275 -0.731 1.00 0.58 C ATOM 279 CG ARG A 21 7.418 -14.239 -1.742 1.00 1.25 C ATOM 280 CD ARG A 21 5.903 -14.238 -1.689 1.00 1.25 C ATOM 281 NE ARG A 21 5.320 -15.010 -2.781 1.00 2.28 N ATOM 282 CZ ARG A 21 4.011 -15.124 -2.996 1.00 2.47 C ATOM 283 NH1 ARG A 21 3.141 -14.564 -2.164 1.00 1.89 N ATOM 284 NH2 ARG A 21 3.570 -15.812 -4.039 1.00 3.49 N ATOM 0 H ARG A 21 10.743 -12.579 0.877 1.00 0.43 H new ATOM 0 HA ARG A 21 9.884 -14.221 -0.362 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.635 -13.541 0.261 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.633 -12.272 -0.948 1.00 0.58 H new ATOM 0 HG2 ARG A 21 7.750 -13.965 -2.743 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.791 -15.244 -1.547 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.573 -14.651 -0.736 1.00 1.25 H new ATOM 0 HD3 ARG A 21 5.539 -13.212 -1.735 1.00 1.25 H new ATOM 0 HE ARG A 21 5.954 -15.492 -3.419 1.00 2.28 H new ATOM 0 HH11 ARG A 21 3.474 -14.042 -1.353 1.00 1.89 H new ATOM 0 HH12 ARG A 21 2.140 -14.656 -2.335 1.00 1.89 H new ATOM 0 HH21 ARG A 21 4.233 -16.254 -4.676 1.00 3.49 H new ATOM 0 HH22 ARG A 21 2.567 -15.900 -4.205 1.00 3.49 H new ATOM 298 N ASN A 22 10.337 -11.744 -2.438 1.00 0.51 N ATOM 299 CA ASN A 22 10.986 -11.378 -3.689 1.00 0.62 C ATOM 300 C ASN A 22 11.690 -10.029 -3.546 1.00 0.58 C ATOM 301 O ASN A 22 11.048 -8.988 -3.420 1.00 0.64 O ATOM 302 CB ASN A 22 9.983 -11.355 -4.851 1.00 0.87 C ATOM 303 CG ASN A 22 8.708 -10.577 -4.551 1.00 0.93 C ATOM 304 OD1 ASN A 22 8.618 -9.375 -4.801 1.00 1.77 O ATOM 305 ND2 ASN A 22 7.702 -11.268 -4.035 1.00 0.80 N ATOM 0 H ASN A 22 10.074 -10.949 -1.856 1.00 0.51 H new ATOM 0 HA ASN A 22 11.735 -12.136 -3.919 1.00 0.62 H new ATOM 0 HB2 ASN A 22 10.465 -10.919 -5.726 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.719 -12.380 -5.110 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.816 -10.805 -3.832 1.00 0.80 H new ATOM 0 HD22 ASN A 22 7.813 -12.263 -3.841 1.00 0.80 H new ATOM 312 N PRO A 23 13.034 -10.037 -3.524 1.00 0.55 N ATOM 313 CA PRO A 23 13.843 -8.822 -3.378 1.00 0.61 C ATOM 314 C PRO A 23 13.872 -7.954 -4.642 1.00 0.79 C ATOM 315 O PRO A 23 14.943 -7.587 -5.117 1.00 1.71 O ATOM 316 CB PRO A 23 15.259 -9.346 -3.103 1.00 0.66 C ATOM 317 CG PRO A 23 15.106 -10.810 -2.852 1.00 0.73 C ATOM 318 CD PRO A 23 13.881 -11.234 -3.604 1.00 0.57 C ATOM 0 HA PRO A 23 13.432 -8.186 -2.594 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.917 -9.161 -3.952 1.00 0.66 H new ATOM 0 HB3 PRO A 23 15.702 -8.845 -2.242 1.00 0.66 H new ATOM 0 HG2 PRO A 23 15.983 -11.358 -3.195 1.00 0.73 H new ATOM 0 HG3 PRO A 23 14.999 -11.014 -1.787 1.00 0.73 H new ATOM 0 HD2 PRO A 23 14.110 -11.502 -4.635 1.00 0.57 H new ATOM 0 HD3 PRO A 23 13.404 -12.101 -3.148 1.00 0.57 H new ATOM 326 N VAL A 24 12.706 -7.613 -5.167 1.00 0.39 N ATOM 327 CA VAL A 24 12.598 -6.736 -6.333 1.00 0.36 C ATOM 328 C VAL A 24 11.408 -5.811 -6.169 1.00 0.32 C ATOM 329 O VAL A 24 10.268 -6.263 -6.084 1.00 0.35 O ATOM 330 CB VAL A 24 12.436 -7.511 -7.663 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.267 -6.542 -8.832 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.620 -8.432 -7.909 1.00 0.48 C ATOM 0 H VAL A 24 11.808 -7.932 -4.802 1.00 0.39 H new ATOM 0 HA VAL A 24 13.531 -6.175 -6.386 1.00 0.36 H new ATOM 0 HB VAL A 24 11.539 -8.125 -7.584 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.155 -7.105 -9.758 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.381 -5.928 -8.671 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.145 -5.900 -8.902 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.478 -8.963 -8.850 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.535 -7.842 -7.959 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.696 -9.152 -7.094 1.00 0.48 H new ATOM 342 N SER A 25 11.670 -4.520 -6.102 1.00 0.32 N ATOM 343 CA SER A 25 10.616 -3.551 -5.942 1.00 0.32 C ATOM 344 C SER A 25 10.339 -2.846 -7.267 1.00 0.32 C ATOM 345 O SER A 25 11.228 -2.724 -8.104 1.00 0.36 O ATOM 346 CB SER A 25 11.033 -2.559 -4.856 1.00 0.42 C ATOM 347 OG SER A 25 12.381 -2.155 -5.021 1.00 1.12 O ATOM 0 H SER A 25 12.608 -4.122 -6.157 1.00 0.32 H new ATOM 0 HA SER A 25 9.692 -4.043 -5.640 1.00 0.32 H new ATOM 0 HB2 SER A 25 10.382 -1.685 -4.889 1.00 0.42 H new ATOM 0 HB3 SER A 25 10.905 -3.015 -3.874 1.00 0.42 H new ATOM 0 HG SER A 25 12.705 -1.748 -4.190 1.00 1.12 H new ATOM 353 N ARG A 26 9.100 -2.397 -7.452 1.00 0.32 N ATOM 354 CA ARG A 26 8.725 -1.575 -8.602 1.00 0.34 C ATOM 355 C ARG A 26 9.385 -0.214 -8.443 1.00 0.37 C ATOM 356 O ARG A 26 9.566 0.536 -9.404 1.00 0.44 O ATOM 357 CB ARG A 26 7.205 -1.412 -8.658 1.00 0.39 C ATOM 358 CG ARG A 26 6.640 -1.205 -10.050 1.00 0.52 C ATOM 359 CD ARG A 26 6.616 -2.507 -10.830 1.00 0.82 C ATOM 360 NE ARG A 26 5.779 -3.516 -10.175 1.00 1.21 N ATOM 361 CZ ARG A 26 5.084 -4.448 -10.825 1.00 1.88 C ATOM 362 NH1 ARG A 26 5.108 -4.498 -12.152 1.00 2.47 N ATOM 363 NH2 ARG A 26 4.358 -5.328 -10.142 1.00 2.54 N ATOM 0 H ARG A 26 8.330 -2.591 -6.812 1.00 0.32 H new ATOM 0 HA ARG A 26 9.053 -2.050 -9.526 1.00 0.34 H new ATOM 0 HB2 ARG A 26 6.742 -2.297 -8.221 1.00 0.39 H new ATOM 0 HB3 ARG A 26 6.921 -0.563 -8.036 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.630 -0.801 -9.979 1.00 0.52 H new ATOM 0 HG3 ARG A 26 7.241 -0.469 -10.584 1.00 0.52 H new ATOM 0 HD2 ARG A 26 6.241 -2.321 -11.837 1.00 0.82 H new ATOM 0 HD3 ARG A 26 7.632 -2.888 -10.933 1.00 0.82 H new ATOM 0 HE ARG A 26 5.725 -3.504 -9.156 1.00 1.21 H new ATOM 0 HH11 ARG A 26 5.660 -3.821 -12.678 1.00 2.47 H new ATOM 0 HH12 ARG A 26 4.574 -5.214 -12.645 1.00 2.47 H new ATOM 0 HH21 ARG A 26 4.334 -5.288 -9.123 1.00 2.54 H new ATOM 0 HH22 ARG A 26 3.825 -6.043 -10.637 1.00 2.54 H new ATOM 377 N ARG A 27 9.745 0.076 -7.198 1.00 0.36 N ATOM 378 CA ARG A 27 10.408 1.311 -6.830 1.00 0.44 C ATOM 379 C ARG A 27 11.828 1.339 -7.383 1.00 0.53 C ATOM 380 O ARG A 27 12.314 2.384 -7.810 1.00 0.73 O ATOM 381 CB ARG A 27 10.423 1.445 -5.301 1.00 0.52 C ATOM 382 CG ARG A 27 10.445 2.882 -4.808 1.00 0.55 C ATOM 383 CD ARG A 27 11.852 3.419 -4.593 1.00 0.70 C ATOM 384 NE ARG A 27 12.422 2.962 -3.326 1.00 0.91 N ATOM 385 CZ ARG A 27 13.687 2.581 -3.158 1.00 1.12 C ATOM 386 NH1 ARG A 27 14.538 2.595 -4.175 1.00 1.77 N ATOM 387 NH2 ARG A 27 14.104 2.204 -1.957 1.00 1.63 N ATOM 0 H ARG A 27 9.581 -0.551 -6.410 1.00 0.36 H new ATOM 0 HA ARG A 27 9.863 2.152 -7.258 1.00 0.44 H new ATOM 0 HB2 ARG A 27 9.544 0.945 -4.894 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.296 0.924 -4.909 1.00 0.52 H new ATOM 0 HG2 ARG A 27 9.928 3.515 -5.529 1.00 0.55 H new ATOM 0 HG3 ARG A 27 9.891 2.947 -3.872 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.492 3.100 -5.415 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.831 4.509 -4.610 1.00 0.70 H new ATOM 0 HE ARG A 27 11.807 2.933 -2.513 1.00 0.91 H new ATOM 0 HH11 ARG A 27 14.226 2.900 -5.097 1.00 1.77 H new ATOM 0 HH12 ARG A 27 15.505 2.301 -4.035 1.00 1.77 H new ATOM 0 HH21 ARG A 27 13.457 2.207 -1.168 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.072 1.911 -1.822 1.00 1.63 H new ATOM 401 N THR A 28 12.492 0.186 -7.377 1.00 0.45 N ATOM 402 CA THR A 28 13.849 0.104 -7.897 1.00 0.53 C ATOM 403 C THR A 28 13.852 -0.448 -9.313 1.00 0.55 C ATOM 404 O THR A 28 14.629 -0.025 -10.165 1.00 0.67 O ATOM 405 CB THR A 28 14.724 -0.816 -7.022 1.00 0.55 C ATOM 406 OG1 THR A 28 14.182 -2.145 -7.019 1.00 0.55 O ATOM 407 CG2 THR A 28 14.784 -0.312 -5.597 1.00 0.53 C ATOM 0 H THR A 28 12.116 -0.693 -7.022 1.00 0.45 H new ATOM 0 HA THR A 28 14.255 1.115 -7.889 1.00 0.53 H new ATOM 0 HB THR A 28 15.730 -0.820 -7.441 1.00 0.55 H new ATOM 0 HG1 THR A 28 13.584 -2.253 -6.250 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.407 -0.979 -5.001 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.210 0.691 -5.584 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.778 -0.285 -5.178 1.00 0.53 H new ATOM 415 N GLY A 29 12.950 -1.388 -9.554 1.00 0.47 N ATOM 416 CA GLY A 29 12.878 -2.062 -10.837 1.00 0.52 C ATOM 417 C GLY A 29 14.026 -3.032 -11.044 1.00 0.58 C ATOM 418 O GLY A 29 14.072 -3.748 -12.045 1.00 0.82 O ATOM 0 H GLY A 29 12.257 -1.700 -8.874 1.00 0.47 H new ATOM 0 HA2 GLY A 29 11.933 -2.600 -10.909 1.00 0.52 H new ATOM 0 HA3 GLY A 29 12.884 -1.320 -11.635 1.00 0.52 H new ATOM 422 N ASP A 30 14.943 -3.062 -10.088 1.00 0.53 N ATOM 423 CA ASP A 30 16.089 -3.952 -10.143 1.00 0.58 C ATOM 424 C ASP A 30 15.991 -4.977 -9.030 1.00 0.55 C ATOM 425 O ASP A 30 15.586 -6.119 -9.252 1.00 0.84 O ATOM 426 CB ASP A 30 17.400 -3.172 -10.003 1.00 0.67 C ATOM 427 CG ASP A 30 17.710 -2.304 -11.204 1.00 1.31 C ATOM 428 OD1 ASP A 30 18.189 -2.839 -12.225 1.00 1.69 O ATOM 429 OD2 ASP A 30 17.462 -1.082 -11.136 1.00 2.10 O ATOM 0 H ASP A 30 14.912 -2.472 -9.256 1.00 0.53 H new ATOM 0 HA ASP A 30 16.087 -4.452 -11.111 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.348 -2.545 -9.113 1.00 0.67 H new ATOM 0 HB3 ASP A 30 18.219 -3.875 -9.850 1.00 0.67 H new ATOM 434 N SER A 31 16.353 -4.557 -7.829 1.00 0.53 N ATOM 435 CA SER A 31 16.243 -5.390 -6.648 1.00 0.50 C ATOM 436 C SER A 31 16.097 -4.515 -5.411 1.00 0.42 C ATOM 437 O SER A 31 16.545 -3.369 -5.400 1.00 0.48 O ATOM 438 CB SER A 31 17.462 -6.291 -6.505 1.00 0.62 C ATOM 439 OG SER A 31 17.684 -7.056 -7.680 1.00 1.08 O ATOM 0 H SER A 31 16.732 -3.627 -7.648 1.00 0.53 H new ATOM 0 HA SER A 31 15.360 -6.021 -6.752 1.00 0.50 H new ATOM 0 HB2 SER A 31 18.342 -5.684 -6.293 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.324 -6.959 -5.655 1.00 0.62 H new ATOM 0 HG SER A 31 18.474 -7.623 -7.557 1.00 1.08 H new ATOM 445 N THR A 32 15.462 -5.049 -4.380 1.00 0.34 N ATOM 446 CA THR A 32 15.299 -4.325 -3.126 1.00 0.29 C ATOM 447 C THR A 32 16.017 -5.084 -2.006 1.00 0.27 C ATOM 448 O THR A 32 15.642 -5.038 -0.837 1.00 0.28 O ATOM 449 CB THR A 32 13.797 -4.100 -2.801 1.00 0.27 C ATOM 450 OG1 THR A 32 13.637 -3.311 -1.624 1.00 0.27 O ATOM 451 CG2 THR A 32 13.055 -5.414 -2.636 1.00 0.29 C ATOM 0 H THR A 32 15.050 -5.982 -4.385 1.00 0.34 H new ATOM 0 HA THR A 32 15.750 -3.337 -3.219 1.00 0.29 H new ATOM 0 HB THR A 32 13.369 -3.565 -3.649 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.725 -3.417 -1.281 1.00 0.27 H new ATOM 0 HG21 THR A 32 12.008 -5.214 -2.409 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.123 -5.989 -3.560 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.500 -5.983 -1.820 1.00 0.29 H new ATOM 459 N ALA A 33 17.085 -5.769 -2.396 1.00 0.31 N ATOM 460 CA ALA A 33 17.854 -6.612 -1.491 1.00 0.32 C ATOM 461 C ALA A 33 18.772 -5.801 -0.572 1.00 0.34 C ATOM 462 O ALA A 33 19.408 -6.356 0.324 1.00 0.37 O ATOM 463 CB ALA A 33 18.663 -7.615 -2.297 1.00 0.37 C ATOM 0 H ALA A 33 17.442 -5.755 -3.351 1.00 0.31 H new ATOM 0 HA ALA A 33 17.148 -7.136 -0.846 1.00 0.32 H new ATOM 0 HB1 ALA A 33 19.239 -8.246 -1.620 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.989 -8.236 -2.887 1.00 0.37 H new ATOM 0 HB3 ALA A 33 19.342 -7.083 -2.963 1.00 0.37 H new ATOM 469 N ASP A 34 18.845 -4.495 -0.789 1.00 0.35 N ATOM 470 CA ASP A 34 19.708 -3.637 0.026 1.00 0.40 C ATOM 471 C ASP A 34 18.916 -2.999 1.157 1.00 0.36 C ATOM 472 O ASP A 34 19.465 -2.653 2.204 1.00 0.43 O ATOM 473 CB ASP A 34 20.353 -2.533 -0.818 1.00 0.49 C ATOM 474 CG ASP A 34 21.218 -3.069 -1.937 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.297 -3.631 -1.643 1.00 1.31 O ATOM 476 OD2 ASP A 34 20.818 -2.958 -3.115 1.00 2.21 O ATOM 0 H ASP A 34 18.323 -4.005 -1.516 1.00 0.35 H new ATOM 0 HA ASP A 34 20.493 -4.269 0.441 1.00 0.40 H new ATOM 0 HB2 ASP A 34 19.570 -1.904 -1.242 1.00 0.49 H new ATOM 0 HB3 ASP A 34 20.958 -1.897 -0.172 1.00 0.49 H new ATOM 481 N VAL A 35 17.619 -2.863 0.949 1.00 0.31 N ATOM 482 CA VAL A 35 16.743 -2.249 1.932 1.00 0.28 C ATOM 483 C VAL A 35 16.081 -3.323 2.797 1.00 0.25 C ATOM 484 O VAL A 35 15.614 -4.342 2.289 1.00 0.25 O ATOM 485 CB VAL A 35 15.689 -1.326 1.251 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.570 -1.627 -0.237 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.328 -1.437 1.919 1.00 0.26 C ATOM 0 H VAL A 35 17.145 -3.172 0.100 1.00 0.31 H new ATOM 0 HA VAL A 35 17.345 -1.616 2.584 1.00 0.28 H new ATOM 0 HB VAL A 35 16.041 -0.301 1.370 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.827 -0.966 -0.684 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.534 -1.466 -0.719 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.264 -2.664 -0.375 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.621 -0.778 1.415 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.974 -2.466 1.855 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.412 -1.146 2.966 1.00 0.26 H new ATOM 497 N THR A 36 16.068 -3.096 4.104 1.00 0.25 N ATOM 498 CA THR A 36 15.553 -4.073 5.051 1.00 0.27 C ATOM 499 C THR A 36 14.089 -3.798 5.330 1.00 0.23 C ATOM 500 O THR A 36 13.537 -2.844 4.789 1.00 0.20 O ATOM 501 CB THR A 36 16.328 -4.020 6.379 1.00 0.31 C ATOM 502 OG1 THR A 36 16.260 -2.694 6.922 1.00 0.30 O ATOM 503 CG2 THR A 36 17.782 -4.423 6.184 1.00 0.39 C ATOM 0 H THR A 36 16.411 -2.237 4.534 1.00 0.25 H new ATOM 0 HA THR A 36 15.674 -5.062 4.609 1.00 0.27 H new ATOM 0 HB THR A 36 15.871 -4.726 7.072 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.894 -2.114 6.450 1.00 0.30 H new ATOM 0 HG21 THR A 36 18.304 -4.376 7.140 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.829 -5.440 5.795 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.257 -3.742 5.477 1.00 0.39 H new ATOM 511 N TYR A 37 13.454 -4.598 6.176 1.00 0.26 N ATOM 512 CA TYR A 37 12.076 -4.319 6.542 1.00 0.27 C ATOM 513 C TYR A 37 12.017 -2.994 7.295 1.00 0.23 C ATOM 514 O TYR A 37 11.031 -2.269 7.216 1.00 0.23 O ATOM 515 CB TYR A 37 11.459 -5.464 7.364 1.00 0.38 C ATOM 516 CG TYR A 37 11.772 -5.448 8.847 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.992 -5.898 9.333 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.826 -5.000 9.762 1.00 1.16 C ATOM 519 CE1 TYR A 37 13.263 -5.900 10.688 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.091 -4.995 11.118 1.00 1.53 C ATOM 521 CZ TYR A 37 12.310 -5.446 11.575 1.00 1.12 C ATOM 522 OH TYR A 37 12.576 -5.452 12.927 1.00 1.50 O ATOM 0 H TYR A 37 13.861 -5.426 6.612 1.00 0.26 H new ATOM 0 HA TYR A 37 11.480 -4.240 5.633 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.377 -5.435 7.239 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.802 -6.411 6.949 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.742 -6.252 8.641 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.868 -4.650 9.407 1.00 1.16 H new ATOM 0 HE1 TYR A 37 14.216 -6.255 11.050 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.347 -4.640 11.816 1.00 1.53 H new ATOM 0 HH TYR A 37 11.802 -5.100 13.414 1.00 1.50 H new ATOM 532 N GLU A 38 13.112 -2.661 7.976 1.00 0.23 N ATOM 533 CA GLU A 38 13.215 -1.404 8.701 1.00 0.24 C ATOM 534 C GLU A 38 13.355 -0.243 7.729 1.00 0.24 C ATOM 535 O GLU A 38 12.638 0.749 7.828 1.00 0.26 O ATOM 536 CB GLU A 38 14.411 -1.423 9.651 1.00 0.29 C ATOM 537 CG GLU A 38 14.331 -2.500 10.714 1.00 0.35 C ATOM 538 CD GLU A 38 15.458 -2.396 11.714 1.00 0.67 C ATOM 539 OE1 GLU A 38 15.303 -1.656 12.708 1.00 0.93 O ATOM 540 OE2 GLU A 38 16.506 -3.041 11.504 1.00 0.96 O ATOM 0 H GLU A 38 13.942 -3.250 8.038 1.00 0.23 H new ATOM 0 HA GLU A 38 12.304 -1.276 9.285 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.322 -1.566 9.070 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.492 -0.451 10.137 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.377 -2.424 11.235 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.358 -3.481 10.239 1.00 0.35 H new ATOM 547 N ASP A 39 14.274 -0.383 6.775 1.00 0.24 N ATOM 548 CA ASP A 39 14.485 0.652 5.764 1.00 0.26 C ATOM 549 C ASP A 39 13.246 0.793 4.891 1.00 0.22 C ATOM 550 O ASP A 39 12.961 1.865 4.357 1.00 0.23 O ATOM 551 CB ASP A 39 15.700 0.330 4.888 1.00 0.31 C ATOM 552 CG ASP A 39 17.003 0.327 5.658 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.429 1.406 6.118 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.608 -0.758 5.806 1.00 0.82 O ATOM 0 H ASP A 39 14.881 -1.197 6.681 1.00 0.24 H new ATOM 0 HA ASP A 39 14.673 1.593 6.281 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.557 -0.646 4.423 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.763 1.061 4.082 1.00 0.31 H new ATOM 559 N ALA A 40 12.518 -0.304 4.754 1.00 0.19 N ATOM 560 CA ALA A 40 11.265 -0.314 4.011 1.00 0.18 C ATOM 561 C ALA A 40 10.184 0.431 4.779 1.00 0.16 C ATOM 562 O ALA A 40 9.422 1.203 4.203 1.00 0.17 O ATOM 563 CB ALA A 40 10.826 -1.739 3.723 1.00 0.18 C ATOM 0 H ALA A 40 12.776 -1.207 5.151 1.00 0.19 H new ATOM 0 HA ALA A 40 11.426 0.195 3.060 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.888 -1.726 3.167 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.591 -2.243 3.132 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.683 -2.273 4.663 1.00 0.18 H new ATOM 569 N ILE A 41 10.119 0.195 6.085 1.00 0.16 N ATOM 570 CA ILE A 41 9.213 0.943 6.944 1.00 0.18 C ATOM 571 C ILE A 41 9.597 2.414 6.927 1.00 0.20 C ATOM 572 O ILE A 41 8.741 3.294 6.930 1.00 0.21 O ATOM 573 CB ILE A 41 9.223 0.405 8.396 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.608 -0.994 8.447 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.477 1.346 9.337 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.710 -1.662 9.800 1.00 0.30 C ATOM 0 H ILE A 41 10.681 -0.506 6.569 1.00 0.16 H new ATOM 0 HA ILE A 41 8.201 0.821 6.558 1.00 0.18 H new ATOM 0 HB ILE A 41 10.260 0.348 8.728 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.557 -0.928 8.164 1.00 0.24 H new ATOM 0 HG13 ILE A 41 9.099 -1.623 7.705 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.501 0.942 10.349 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.955 2.326 9.326 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.442 1.443 9.009 1.00 0.27 H new ATOM 0 HD11 ILE A 41 8.251 -2.650 9.754 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.759 -1.762 10.078 1.00 0.30 H new ATOM 0 HD13 ILE A 41 8.193 -1.057 10.545 1.00 0.30 H new ATOM 588 N LYS A 42 10.895 2.661 6.856 1.00 0.22 N ATOM 589 CA LYS A 42 11.420 4.012 6.760 1.00 0.28 C ATOM 590 C LYS A 42 10.946 4.689 5.478 1.00 0.28 C ATOM 591 O LYS A 42 10.860 5.914 5.399 1.00 0.37 O ATOM 592 CB LYS A 42 12.942 3.974 6.811 1.00 0.31 C ATOM 593 CG LYS A 42 13.595 5.321 6.567 1.00 0.85 C ATOM 594 CD LYS A 42 15.103 5.245 6.707 1.00 1.14 C ATOM 595 CE LYS A 42 15.778 6.386 5.967 1.00 1.46 C ATOM 596 NZ LYS A 42 15.818 6.143 4.501 1.00 2.32 N ATOM 0 H LYS A 42 11.611 1.934 6.863 1.00 0.22 H new ATOM 0 HA LYS A 42 11.048 4.594 7.603 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.255 3.600 7.786 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.304 3.265 6.067 1.00 0.31 H new ATOM 0 HG2 LYS A 42 13.339 5.674 5.568 1.00 0.85 H new ATOM 0 HG3 LYS A 42 13.200 6.051 7.274 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.376 5.280 7.762 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.460 4.292 6.316 1.00 1.14 H new ATOM 0 HE2 LYS A 42 15.245 7.315 6.167 1.00 1.46 H new ATOM 0 HE3 LYS A 42 16.793 6.513 6.343 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 16.416 6.862 4.046 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 16.212 5.198 4.316 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 14.854 6.198 4.114 1.00 2.32 H new ATOM 610 N GLU A 43 10.618 3.881 4.487 1.00 0.22 N ATOM 611 CA GLU A 43 10.129 4.395 3.224 1.00 0.25 C ATOM 612 C GLU A 43 8.626 4.573 3.309 1.00 0.18 C ATOM 613 O GLU A 43 8.098 5.659 3.066 1.00 0.18 O ATOM 614 CB GLU A 43 10.474 3.440 2.073 1.00 0.33 C ATOM 615 CG GLU A 43 9.833 3.831 0.749 1.00 0.34 C ATOM 616 CD GLU A 43 10.835 4.327 -0.273 1.00 0.55 C ATOM 617 OE1 GLU A 43 11.581 3.503 -0.836 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.874 5.553 -0.525 1.00 0.94 O ATOM 0 H GLU A 43 10.682 2.864 4.534 1.00 0.22 H new ATOM 0 HA GLU A 43 10.608 5.354 3.025 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.556 3.409 1.949 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.155 2.432 2.339 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.303 2.971 0.341 1.00 0.34 H new ATOM 0 HG3 GLU A 43 9.090 4.608 0.927 1.00 0.34 H new ATOM 625 N LEU A 44 7.953 3.505 3.715 1.00 0.16 N ATOM 626 CA LEU A 44 6.500 3.476 3.713 1.00 0.15 C ATOM 627 C LEU A 44 5.939 4.519 4.673 1.00 0.14 C ATOM 628 O LEU A 44 4.938 5.165 4.376 1.00 0.16 O ATOM 629 CB LEU A 44 5.976 2.086 4.088 1.00 0.13 C ATOM 630 CG LEU A 44 4.467 1.900 3.902 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.087 2.082 2.446 1.00 0.17 C ATOM 632 CD2 LEU A 44 4.025 0.532 4.381 1.00 0.14 C ATOM 0 H LEU A 44 8.392 2.647 4.050 1.00 0.16 H new ATOM 0 HA LEU A 44 6.166 3.710 2.702 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.497 1.341 3.486 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.227 1.887 5.130 1.00 0.13 H new ATOM 0 HG LEU A 44 3.960 2.657 4.501 1.00 0.15 H new ATOM 0 HD11 LEU A 44 3.012 1.947 2.331 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.363 3.085 2.120 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.612 1.346 1.838 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.950 0.426 4.238 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.545 -0.238 3.811 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.262 0.423 5.439 1.00 0.14 H new ATOM 644 N GLN A 45 6.612 4.693 5.810 1.00 0.14 N ATOM 645 CA GLN A 45 6.147 5.613 6.848 1.00 0.14 C ATOM 646 C GLN A 45 6.182 7.059 6.388 1.00 0.17 C ATOM 647 O GLN A 45 5.369 7.868 6.831 1.00 0.27 O ATOM 648 CB GLN A 45 6.974 5.459 8.127 1.00 0.16 C ATOM 649 CG GLN A 45 6.487 4.337 9.029 1.00 0.22 C ATOM 650 CD GLN A 45 5.341 4.749 9.936 1.00 0.36 C ATOM 651 OE1 GLN A 45 4.499 5.658 9.471 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.210 4.241 11.048 1.00 0.44 N flip ATOM 0 H GLN A 45 7.481 4.209 6.036 1.00 0.14 H new ATOM 0 HA GLN A 45 5.110 5.350 7.056 1.00 0.14 H new ATOM 0 HB2 GLN A 45 8.014 5.274 7.858 1.00 0.16 H new ATOM 0 HB3 GLN A 45 6.950 6.397 8.681 1.00 0.16 H new ATOM 0 HG2 GLN A 45 6.169 3.497 8.412 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.318 3.986 9.641 1.00 0.22 H new ATOM 0 HE21 GLN A 45 5.880 3.543 11.372 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.432 4.517 11.646 1.00 0.44 H new ATOM 661 N LYS A 46 7.116 7.388 5.511 1.00 0.14 N ATOM 662 CA LYS A 46 7.210 8.746 4.999 1.00 0.17 C ATOM 663 C LYS A 46 6.099 9.004 3.997 1.00 0.18 C ATOM 664 O LYS A 46 5.460 10.052 4.019 1.00 0.21 O ATOM 665 CB LYS A 46 8.564 8.998 4.331 1.00 0.22 C ATOM 666 CG LYS A 46 9.754 8.872 5.266 1.00 0.27 C ATOM 667 CD LYS A 46 11.040 9.275 4.567 1.00 0.39 C ATOM 668 CE LYS A 46 12.229 9.232 5.505 1.00 0.49 C ATOM 669 NZ LYS A 46 13.451 9.788 4.869 1.00 1.31 N ATOM 0 H LYS A 46 7.813 6.742 5.142 1.00 0.14 H new ATOM 0 HA LYS A 46 7.110 9.427 5.844 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.687 8.294 3.508 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.562 9.998 3.897 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.600 9.501 6.143 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.835 7.845 5.621 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.219 8.609 3.723 1.00 0.39 H new ATOM 0 HD3 LYS A 46 10.933 10.281 4.162 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.000 9.797 6.409 1.00 0.49 H new ATOM 0 HE3 LYS A 46 12.414 8.202 5.811 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 14.244 9.742 5.541 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 13.684 9.234 4.020 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 13.282 10.778 4.600 1.00 1.31 H new ATOM 683 N TRP A 47 5.875 8.045 3.113 1.00 0.16 N ATOM 684 CA TRP A 47 4.825 8.169 2.121 1.00 0.19 C ATOM 685 C TRP A 47 3.451 8.147 2.772 1.00 0.19 C ATOM 686 O TRP A 47 2.609 8.981 2.455 1.00 0.22 O ATOM 687 CB TRP A 47 4.972 7.078 1.059 1.00 0.20 C ATOM 688 CG TRP A 47 6.309 7.152 0.396 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.256 6.171 0.320 1.00 0.18 C ATOM 690 CD2 TRP A 47 6.870 8.301 -0.250 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.372 6.646 -0.324 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.154 7.948 -0.687 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.404 9.596 -0.501 1.00 0.41 C ATOM 694 CZ2 TRP A 47 8.982 8.842 -1.356 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.227 10.481 -1.170 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.504 10.100 -1.590 1.00 0.52 C ATOM 0 H TRP A 47 6.406 7.175 3.064 1.00 0.16 H new ATOM 0 HA TRP A 47 4.924 9.134 1.625 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.844 6.098 1.519 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.185 7.184 0.312 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.144 5.170 0.709 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.224 6.115 -0.503 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.419 9.898 -0.178 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 9.970 8.552 -1.680 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 6.878 11.483 -1.372 1.00 0.52 H new ATOM 0 HH2 TRP A 47 9.125 10.814 -2.110 1.00 0.52 H new ATOM 707 N SER A 48 3.233 7.234 3.712 1.00 0.17 N ATOM 708 CA SER A 48 1.969 7.182 4.429 1.00 0.19 C ATOM 709 C SER A 48 1.801 8.431 5.294 1.00 0.20 C ATOM 710 O SER A 48 0.684 8.805 5.652 1.00 0.28 O ATOM 711 CB SER A 48 1.874 5.908 5.281 1.00 0.23 C ATOM 712 OG SER A 48 2.855 5.877 6.306 1.00 0.82 O ATOM 0 H SER A 48 3.911 6.526 3.992 1.00 0.17 H new ATOM 0 HA SER A 48 1.159 7.155 3.700 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.882 5.844 5.727 1.00 0.23 H new ATOM 0 HB3 SER A 48 1.992 5.034 4.640 1.00 0.23 H new ATOM 0 HG SER A 48 2.579 5.247 7.004 1.00 0.82 H new ATOM 718 N GLN A 49 2.923 9.072 5.619 1.00 0.17 N ATOM 719 CA GLN A 49 2.900 10.346 6.321 1.00 0.17 C ATOM 720 C GLN A 49 2.468 11.452 5.375 1.00 0.18 C ATOM 721 O GLN A 49 1.490 12.147 5.623 1.00 0.21 O ATOM 722 CB GLN A 49 4.285 10.704 6.866 1.00 0.19 C ATOM 723 CG GLN A 49 4.256 11.871 7.838 1.00 0.23 C ATOM 724 CD GLN A 49 5.617 12.499 8.041 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.380 12.092 8.916 1.00 0.53 O ATOM 726 NE2 GLN A 49 5.931 13.506 7.239 1.00 0.45 N ATOM 0 H GLN A 49 3.858 8.726 5.405 1.00 0.17 H new ATOM 0 HA GLN A 49 2.198 10.250 7.149 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.709 9.833 7.365 1.00 0.19 H new ATOM 0 HB3 GLN A 49 4.945 10.948 6.034 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.563 12.628 7.470 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.872 11.528 8.799 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.271 13.814 6.525 1.00 0.45 H new ATOM 0 HE22 GLN A 49 6.833 13.973 7.335 1.00 0.45 H new ATOM 735 N ARG A 50 3.208 11.591 4.279 1.00 0.16 N ATOM 736 CA ARG A 50 2.990 12.669 3.325 1.00 0.16 C ATOM 737 C ARG A 50 1.602 12.591 2.702 1.00 0.14 C ATOM 738 O ARG A 50 0.943 13.611 2.513 1.00 0.15 O ATOM 739 CB ARG A 50 4.043 12.635 2.223 1.00 0.15 C ATOM 740 CG ARG A 50 5.460 12.880 2.700 1.00 0.19 C ATOM 741 CD ARG A 50 6.437 12.759 1.545 1.00 0.20 C ATOM 742 NE ARG A 50 7.819 13.011 1.947 1.00 0.27 N ATOM 743 CZ ARG A 50 8.811 13.250 1.087 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.559 13.334 -0.216 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.050 13.419 1.532 1.00 0.42 N ATOM 0 H ARG A 50 3.971 10.962 4.030 1.00 0.16 H new ATOM 0 HA ARG A 50 3.071 13.607 3.874 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.002 11.664 1.729 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.791 13.385 1.474 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.534 13.873 3.144 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.717 12.162 3.479 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.364 11.760 1.116 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.156 13.463 0.762 1.00 0.20 H new ATOM 0 HE ARG A 50 8.038 13.004 2.943 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.606 13.216 -0.560 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.319 13.517 -0.872 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.244 13.366 2.532 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.808 13.602 0.874 1.00 0.42 H new ATOM 759 N ILE A 51 1.171 11.383 2.369 1.00 0.13 N ATOM 760 CA ILE A 51 -0.169 11.162 1.838 1.00 0.13 C ATOM 761 C ILE A 51 -1.225 11.605 2.852 1.00 0.16 C ATOM 762 O ILE A 51 -2.266 12.151 2.486 1.00 0.20 O ATOM 763 CB ILE A 51 -0.380 9.674 1.472 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.558 9.270 0.330 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.827 9.405 1.088 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.557 7.784 0.036 1.00 0.13 C ATOM 0 H ILE A 51 1.732 10.536 2.457 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.275 11.759 0.932 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.146 9.072 2.350 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.271 9.810 -0.572 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.573 9.581 0.578 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.947 8.351 0.836 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.478 9.654 1.926 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -2.095 10.017 0.227 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.244 7.575 -0.784 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.874 7.237 0.924 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.448 7.469 -0.244 1.00 0.13 H new ATOM 778 N ALA A 52 -0.937 11.385 4.127 1.00 0.16 N ATOM 779 CA ALA A 52 -1.847 11.765 5.196 1.00 0.20 C ATOM 780 C ALA A 52 -1.798 13.268 5.463 1.00 0.22 C ATOM 781 O ALA A 52 -2.833 13.908 5.646 1.00 0.27 O ATOM 782 CB ALA A 52 -1.508 10.992 6.460 1.00 0.21 C ATOM 0 H ALA A 52 -0.075 10.943 4.447 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.862 11.518 4.883 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.193 11.280 7.258 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.603 9.923 6.269 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.485 11.217 6.761 1.00 0.21 H new ATOM 788 N SER A 53 -0.595 13.827 5.477 1.00 0.22 N ATOM 789 CA SER A 53 -0.404 15.239 5.785 1.00 0.26 C ATOM 790 C SER A 53 -0.836 16.124 4.619 1.00 0.28 C ATOM 791 O SER A 53 -1.273 17.259 4.814 1.00 0.35 O ATOM 792 CB SER A 53 1.065 15.499 6.124 1.00 0.28 C ATOM 793 OG SER A 53 1.914 15.009 5.098 1.00 0.26 O ATOM 0 H SER A 53 0.268 13.321 5.277 1.00 0.22 H new ATOM 0 HA SER A 53 -1.027 15.488 6.644 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.228 16.568 6.257 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.315 15.018 7.070 1.00 0.28 H new ATOM 0 HG SER A 53 2.848 15.194 5.330 1.00 0.26 H new ATOM 799 N GLY A 54 -0.718 15.600 3.408 1.00 0.25 N ATOM 800 CA GLY A 54 -1.088 16.359 2.232 1.00 0.28 C ATOM 801 C GLY A 54 0.118 16.804 1.430 1.00 0.26 C ATOM 802 O GLY A 54 -0.025 17.478 0.409 1.00 0.30 O ATOM 0 H GLY A 54 -0.371 14.660 3.219 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.737 15.752 1.601 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.664 17.234 2.534 1.00 0.28 H new ATOM 806 N GLU A 55 1.307 16.419 1.891 1.00 0.23 N ATOM 807 CA GLU A 55 2.554 16.772 1.213 1.00 0.23 C ATOM 808 C GLU A 55 2.560 16.228 -0.213 1.00 0.20 C ATOM 809 O GLU A 55 2.938 16.923 -1.156 1.00 0.24 O ATOM 810 CB GLU A 55 3.750 16.230 1.999 1.00 0.24 C ATOM 811 CG GLU A 55 3.883 16.837 3.386 1.00 0.42 C ATOM 812 CD GLU A 55 4.956 16.174 4.227 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.152 16.458 4.006 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.605 15.374 5.122 1.00 0.65 O ATOM 0 H GLU A 55 1.433 15.860 2.735 1.00 0.23 H new ATOM 0 HA GLU A 55 2.631 17.858 1.164 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.655 15.148 2.091 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.663 16.423 1.436 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.109 17.899 3.291 1.00 0.42 H new ATOM 0 HG3 GLU A 55 2.926 16.760 3.903 1.00 0.42 H new ATOM 821 N VAL A 56 2.137 14.982 -0.360 1.00 0.17 N ATOM 822 CA VAL A 56 1.929 14.388 -1.674 1.00 0.15 C ATOM 823 C VAL A 56 0.642 13.585 -1.666 1.00 0.15 C ATOM 824 O VAL A 56 0.162 13.180 -0.606 1.00 0.19 O ATOM 825 CB VAL A 56 3.092 13.468 -2.127 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.330 14.279 -2.472 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.425 12.430 -1.072 1.00 0.15 C ATOM 0 H VAL A 56 1.929 14.358 0.420 1.00 0.17 H new ATOM 0 HA VAL A 56 1.878 15.213 -2.384 1.00 0.15 H new ATOM 0 HB VAL A 56 2.757 12.946 -3.023 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.129 13.607 -2.786 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.098 14.971 -3.282 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.652 14.841 -1.596 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.244 11.803 -1.424 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.721 12.930 -0.150 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.549 11.809 -0.883 1.00 0.15 H new ATOM 837 N SER A 57 0.077 13.373 -2.838 1.00 0.13 N ATOM 838 CA SER A 57 -1.131 12.588 -2.953 1.00 0.15 C ATOM 839 C SER A 57 -0.767 11.119 -3.069 1.00 0.15 C ATOM 840 O SER A 57 0.376 10.797 -3.406 1.00 0.18 O ATOM 841 CB SER A 57 -1.942 13.044 -4.163 1.00 0.22 C ATOM 842 OG SER A 57 -2.118 14.452 -4.147 1.00 0.97 O ATOM 0 H SER A 57 0.436 13.734 -3.722 1.00 0.13 H new ATOM 0 HA SER A 57 -1.744 12.730 -2.063 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.434 12.746 -5.080 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.914 12.551 -4.162 1.00 0.22 H new ATOM 0 HG SER A 57 -2.639 14.726 -4.931 1.00 0.97 H new ATOM 848 N PHE A 58 -1.709 10.232 -2.784 1.00 0.16 N ATOM 849 CA PHE A 58 -1.428 8.803 -2.822 1.00 0.16 C ATOM 850 C PHE A 58 -0.869 8.418 -4.188 1.00 0.18 C ATOM 851 O PHE A 58 0.132 7.705 -4.287 1.00 0.19 O ATOM 852 CB PHE A 58 -2.693 8.000 -2.518 1.00 0.18 C ATOM 853 CG PHE A 58 -2.415 6.649 -1.920 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.800 5.659 -2.663 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.771 6.373 -0.609 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.545 4.420 -2.113 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.518 5.137 -0.053 1.00 0.21 C ATOM 858 CZ PHE A 58 -1.905 4.159 -0.805 1.00 0.22 C ATOM 0 H PHE A 58 -2.666 10.472 -2.526 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.684 8.572 -2.059 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.320 8.570 -1.833 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.262 7.871 -3.439 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.516 5.858 -3.686 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.253 7.136 -0.016 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.064 3.655 -2.704 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -2.800 4.936 0.970 1.00 0.21 H new ATOM 0 HZ PHE A 58 -1.706 3.190 -0.373 1.00 0.22 H new ATOM 868 N GLU A 59 -1.500 8.948 -5.232 1.00 0.20 N ATOM 869 CA GLU A 59 -1.110 8.660 -6.607 1.00 0.22 C ATOM 870 C GLU A 59 0.328 9.092 -6.894 1.00 0.24 C ATOM 871 O GLU A 59 1.035 8.423 -7.648 1.00 0.31 O ATOM 872 CB GLU A 59 -2.073 9.339 -7.581 1.00 0.27 C ATOM 873 CG GLU A 59 -3.511 8.870 -7.437 1.00 0.36 C ATOM 874 CD GLU A 59 -4.456 9.586 -8.377 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.713 10.789 -8.163 1.00 0.96 O ATOM 876 OE2 GLU A 59 -4.958 8.952 -9.327 1.00 1.72 O ATOM 0 H GLU A 59 -2.292 9.586 -5.149 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.161 7.580 -6.745 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -2.034 10.417 -7.426 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.738 9.151 -8.601 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.560 7.798 -7.627 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.839 9.027 -6.409 1.00 0.36 H new ATOM 883 N GLU A 60 0.766 10.198 -6.289 1.00 0.23 N ATOM 884 CA GLU A 60 2.129 10.681 -6.493 1.00 0.24 C ATOM 885 C GLU A 60 3.133 9.658 -5.992 1.00 0.23 C ATOM 886 O GLU A 60 4.033 9.242 -6.721 1.00 0.26 O ATOM 887 CB GLU A 60 2.366 12.010 -5.768 1.00 0.25 C ATOM 888 CG GLU A 60 1.524 13.157 -6.291 1.00 0.29 C ATOM 889 CD GLU A 60 1.846 13.499 -7.729 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.745 14.330 -7.957 1.00 1.24 O ATOM 891 OE2 GLU A 60 1.199 12.940 -8.640 1.00 2.09 O ATOM 0 H GLU A 60 0.202 10.770 -5.660 1.00 0.23 H new ATOM 0 HA GLU A 60 2.262 10.837 -7.564 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.158 11.875 -4.707 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.419 12.277 -5.855 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.469 12.896 -6.210 1.00 0.29 H new ATOM 0 HG3 GLU A 60 1.684 14.036 -5.667 1.00 0.29 H new ATOM 898 N ALA A 61 2.956 9.245 -4.747 1.00 0.22 N ATOM 899 CA ALA A 61 3.888 8.339 -4.103 1.00 0.23 C ATOM 900 C ALA A 61 3.814 6.945 -4.707 1.00 0.22 C ATOM 901 O ALA A 61 4.839 6.348 -5.024 1.00 0.26 O ATOM 902 CB ALA A 61 3.619 8.285 -2.608 1.00 0.24 C ATOM 0 H ALA A 61 2.170 9.526 -4.161 1.00 0.22 H new ATOM 0 HA ALA A 61 4.896 8.719 -4.268 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.325 7.602 -2.136 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.737 9.281 -2.181 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.602 7.934 -2.434 1.00 0.24 H new ATOM 908 N ALA A 62 2.600 6.444 -4.889 1.00 0.20 N ATOM 909 CA ALA A 62 2.388 5.067 -5.324 1.00 0.20 C ATOM 910 C ALA A 62 3.028 4.779 -6.682 1.00 0.21 C ATOM 911 O ALA A 62 3.796 3.834 -6.812 1.00 0.24 O ATOM 912 CB ALA A 62 0.907 4.749 -5.352 1.00 0.20 C ATOM 0 H ALA A 62 1.741 6.973 -4.741 1.00 0.20 H new ATOM 0 HA ALA A 62 2.880 4.418 -4.599 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.762 3.719 -5.678 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.489 4.876 -4.353 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.403 5.423 -6.045 1.00 0.20 H new ATOM 918 N SER A 63 2.730 5.600 -7.677 1.00 0.21 N ATOM 919 CA SER A 63 3.273 5.424 -9.026 1.00 0.23 C ATOM 920 C SER A 63 4.796 5.268 -9.042 1.00 0.24 C ATOM 921 O SER A 63 5.355 4.723 -9.990 1.00 0.27 O ATOM 922 CB SER A 63 2.865 6.604 -9.902 1.00 0.26 C ATOM 923 OG SER A 63 1.457 6.655 -10.050 1.00 1.00 O ATOM 0 H SER A 63 2.110 6.404 -7.579 1.00 0.21 H new ATOM 0 HA SER A 63 2.856 4.497 -9.419 1.00 0.23 H new ATOM 0 HB2 SER A 63 3.223 7.533 -9.459 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.336 6.516 -10.881 1.00 0.26 H new ATOM 0 HG SER A 63 1.133 5.796 -10.392 1.00 1.00 H new ATOM 929 N GLN A 64 5.465 5.737 -8.002 1.00 0.24 N ATOM 930 CA GLN A 64 6.908 5.616 -7.925 1.00 0.27 C ATOM 931 C GLN A 64 7.289 4.509 -6.959 1.00 0.26 C ATOM 932 O GLN A 64 8.143 3.673 -7.243 1.00 0.29 O ATOM 933 CB GLN A 64 7.509 6.929 -7.438 1.00 0.31 C ATOM 934 CG GLN A 64 6.986 8.137 -8.186 1.00 0.35 C ATOM 935 CD GLN A 64 7.442 9.446 -7.574 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.513 9.960 -7.894 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.620 10.003 -6.701 1.00 0.35 N ATOM 0 H GLN A 64 5.033 6.203 -7.204 1.00 0.24 H new ATOM 0 HA GLN A 64 7.292 5.379 -8.917 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.296 7.047 -6.376 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.593 6.886 -7.543 1.00 0.31 H new ATOM 0 HG2 GLN A 64 7.319 8.090 -9.223 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.896 8.107 -8.200 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.741 9.544 -6.463 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.865 10.892 -6.265 1.00 0.35 H new ATOM 946 N ARG A 65 6.643 4.534 -5.810 1.00 0.26 N ATOM 947 CA ARG A 65 7.037 3.704 -4.685 1.00 0.28 C ATOM 948 C ARG A 65 6.266 2.389 -4.574 1.00 0.27 C ATOM 949 O ARG A 65 6.838 1.387 -4.165 1.00 0.32 O ATOM 950 CB ARG A 65 6.871 4.514 -3.413 1.00 0.33 C ATOM 951 CG ARG A 65 7.629 5.833 -3.456 1.00 0.37 C ATOM 952 CD ARG A 65 9.095 5.619 -3.806 1.00 0.43 C ATOM 953 NE ARG A 65 9.930 6.779 -3.501 1.00 0.58 N ATOM 954 CZ ARG A 65 10.558 7.525 -4.414 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.495 7.214 -5.702 1.00 0.59 N ATOM 956 NH2 ARG A 65 11.271 8.578 -4.031 1.00 0.86 N ATOM 0 H ARG A 65 5.833 5.127 -5.629 1.00 0.26 H new ATOM 0 HA ARG A 65 8.076 3.416 -4.845 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.812 4.713 -3.249 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.220 3.926 -2.564 1.00 0.33 H new ATOM 0 HG2 ARG A 65 7.170 6.494 -4.191 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.553 6.330 -2.489 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.471 4.754 -3.260 1.00 0.43 H new ATOM 0 HD3 ARG A 65 9.179 5.387 -4.868 1.00 0.43 H new ATOM 0 HE ARG A 65 10.041 7.038 -2.521 1.00 0.58 H new ATOM 0 HH11 ARG A 65 9.963 6.398 -6.004 1.00 0.59 H new ATOM 0 HH12 ARG A 65 10.979 7.791 -6.390 1.00 0.59 H new ATOM 0 HH21 ARG A 65 11.338 8.816 -3.041 1.00 0.86 H new ATOM 0 HH22 ARG A 65 11.751 9.149 -4.726 1.00 0.86 H new ATOM 970 N SER A 66 4.981 2.391 -4.903 1.00 0.25 N ATOM 971 CA SER A 66 4.175 1.178 -4.769 1.00 0.25 C ATOM 972 C SER A 66 4.693 0.095 -5.703 1.00 0.23 C ATOM 973 O SER A 66 4.651 0.232 -6.927 1.00 0.24 O ATOM 974 CB SER A 66 2.680 1.440 -5.032 1.00 0.24 C ATOM 975 OG SER A 66 2.407 1.634 -6.407 1.00 0.82 O ATOM 0 H SER A 66 4.478 3.203 -5.259 1.00 0.25 H new ATOM 0 HA SER A 66 4.268 0.840 -3.737 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.094 0.598 -4.662 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.363 2.320 -4.472 1.00 0.24 H new ATOM 0 HG SER A 66 2.987 2.341 -6.759 1.00 0.82 H new ATOM 981 N ASP A 67 5.192 -0.975 -5.111 1.00 0.25 N ATOM 982 CA ASP A 67 5.775 -2.068 -5.864 1.00 0.28 C ATOM 983 C ASP A 67 4.707 -2.928 -6.522 1.00 0.31 C ATOM 984 O ASP A 67 5.005 -3.791 -7.353 1.00 0.48 O ATOM 985 CB ASP A 67 6.668 -2.912 -4.961 1.00 0.39 C ATOM 986 CG ASP A 67 7.830 -2.108 -4.421 1.00 1.59 C ATOM 987 OD1 ASP A 67 8.399 -1.305 -5.182 1.00 1.91 O ATOM 988 OD2 ASP A 67 8.195 -2.297 -3.252 1.00 2.28 O ATOM 0 H ASP A 67 5.204 -1.110 -4.100 1.00 0.25 H new ATOM 0 HA ASP A 67 6.384 -1.640 -6.661 1.00 0.28 H new ATOM 0 HB2 ASP A 67 6.080 -3.306 -4.132 1.00 0.39 H new ATOM 0 HB3 ASP A 67 7.045 -3.769 -5.519 1.00 0.39 H new ATOM 993 N CYS A 68 3.463 -2.678 -6.156 1.00 0.24 N ATOM 994 CA CYS A 68 2.341 -3.396 -6.728 1.00 0.26 C ATOM 995 C CYS A 68 1.900 -2.733 -8.024 1.00 0.27 C ATOM 996 O CYS A 68 2.200 -1.567 -8.283 1.00 0.38 O ATOM 997 CB CYS A 68 1.182 -3.438 -5.735 1.00 0.29 C ATOM 998 SG CYS A 68 -0.192 -4.506 -6.222 1.00 1.52 S ATOM 0 H CYS A 68 3.204 -1.978 -5.460 1.00 0.24 H new ATOM 0 HA CYS A 68 2.652 -4.418 -6.946 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.561 -3.774 -4.770 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.805 -2.425 -5.595 1.00 0.29 H new ATOM 0 HG CYS A 68 -0.499 -5.296 -5.236 1.00 1.52 H new ATOM 1004 N GLY A 69 1.174 -3.509 -8.819 1.00 0.26 N ATOM 1005 CA GLY A 69 0.774 -3.109 -10.159 1.00 0.25 C ATOM 1006 C GLY A 69 0.003 -1.803 -10.219 1.00 0.22 C ATOM 1007 O GLY A 69 -0.086 -1.188 -11.283 1.00 0.25 O ATOM 0 H GLY A 69 0.846 -4.437 -8.550 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.666 -3.019 -10.780 1.00 0.25 H new ATOM 0 HA3 GLY A 69 0.161 -3.899 -10.593 1.00 0.25 H new ATOM 1011 N SER A 70 -0.554 -1.373 -9.092 1.00 0.21 N ATOM 1012 CA SER A 70 -1.268 -0.113 -9.024 1.00 0.24 C ATOM 1013 C SER A 70 -0.351 1.096 -9.263 1.00 0.22 C ATOM 1014 O SER A 70 -0.838 2.216 -9.368 1.00 0.25 O ATOM 1015 CB SER A 70 -1.954 0.006 -7.668 1.00 0.31 C ATOM 1016 OG SER A 70 -1.013 -0.128 -6.612 1.00 0.32 O ATOM 0 H SER A 70 -0.522 -1.885 -8.211 1.00 0.21 H new ATOM 0 HA SER A 70 -2.011 -0.108 -9.822 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.456 0.970 -7.593 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.722 -0.762 -7.576 1.00 0.31 H new ATOM 0 HG SER A 70 -0.107 -0.158 -6.983 1.00 0.32 H new ATOM 1022 N TYR A 71 0.967 0.878 -9.350 1.00 0.20 N ATOM 1023 CA TYR A 71 1.911 1.965 -9.648 1.00 0.20 C ATOM 1024 C TYR A 71 1.479 2.713 -10.913 1.00 0.22 C ATOM 1025 O TYR A 71 1.580 3.934 -10.991 1.00 0.29 O ATOM 1026 CB TYR A 71 3.348 1.420 -9.828 1.00 0.21 C ATOM 1027 CG TYR A 71 3.550 0.585 -11.079 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.145 -0.742 -11.127 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.146 1.127 -12.212 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.325 -1.503 -12.265 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.329 0.370 -13.354 1.00 0.44 C ATOM 1032 CZ TYR A 71 3.914 -0.944 -13.375 1.00 0.43 C ATOM 1033 OH TYR A 71 4.092 -1.702 -14.508 1.00 0.54 O ATOM 0 H TYR A 71 1.403 -0.035 -9.219 1.00 0.20 H new ATOM 0 HA TYR A 71 1.906 2.654 -8.803 1.00 0.20 H new ATOM 0 HB2 TYR A 71 4.042 2.260 -9.851 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.606 0.817 -8.958 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.681 -1.187 -10.259 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.471 2.157 -12.200 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.004 -2.534 -12.283 1.00 0.36 H new ATOM 0 HE2 TYR A 71 4.795 0.806 -14.225 1.00 0.44 H new ATOM 0 HH TYR A 71 4.521 -1.158 -15.201 1.00 0.54 H new ATOM 1043 N ALA A 72 0.945 1.977 -11.881 1.00 0.24 N ATOM 1044 CA ALA A 72 0.536 2.560 -13.152 1.00 0.30 C ATOM 1045 C ALA A 72 -0.834 3.220 -13.036 1.00 0.36 C ATOM 1046 O ALA A 72 -1.347 3.789 -13.999 1.00 0.49 O ATOM 1047 CB ALA A 72 0.522 1.493 -14.236 1.00 0.38 C ATOM 0 H ALA A 72 0.785 0.972 -11.809 1.00 0.24 H new ATOM 0 HA ALA A 72 1.258 3.330 -13.424 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.215 1.939 -15.182 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.521 1.069 -14.342 1.00 0.38 H new ATOM 0 HB3 ALA A 72 -0.180 0.705 -13.962 1.00 0.38 H new ATOM 1053 N SER A 73 -1.422 3.138 -11.852 1.00 0.32 N ATOM 1054 CA SER A 73 -2.740 3.701 -11.607 1.00 0.44 C ATOM 1055 C SER A 73 -2.698 4.667 -10.422 1.00 0.49 C ATOM 1056 O SER A 73 -3.736 5.133 -9.949 1.00 0.71 O ATOM 1057 CB SER A 73 -3.731 2.572 -11.329 1.00 0.47 C ATOM 1058 OG SER A 73 -3.603 1.542 -12.298 1.00 0.62 O ATOM 0 H SER A 73 -1.003 2.683 -11.041 1.00 0.32 H new ATOM 0 HA SER A 73 -3.059 4.255 -12.490 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.556 2.165 -10.333 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.748 2.963 -11.339 1.00 0.47 H new ATOM 0 HG SER A 73 -4.244 0.827 -12.102 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.492 4.956 -9.942 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.332 5.853 -8.812 1.00 0.54 C ATOM 1066 C GLY A 74 -1.709 5.204 -7.494 1.00 0.45 C ATOM 1067 O GLY A 74 -2.108 5.879 -6.551 1.00 0.49 O ATOM 0 H GLY A 74 -0.620 4.583 -10.317 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.296 6.190 -8.764 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -1.948 6.739 -8.966 1.00 0.54 H new ATOM 1071 N GLY A 75 -1.598 3.883 -7.434 1.00 0.35 N ATOM 1072 CA GLY A 75 -1.949 3.156 -6.225 1.00 0.32 C ATOM 1073 C GLY A 75 -3.442 2.943 -6.107 1.00 0.20 C ATOM 1074 O GLY A 75 -3.903 2.046 -5.397 1.00 0.21 O ATOM 0 H GLY A 75 -1.270 3.299 -8.203 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.443 2.190 -6.223 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -1.591 3.705 -5.354 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.187 3.766 -6.828 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.636 3.745 -6.796 1.00 0.39 C ATOM 1080 C ASP A 76 -6.163 2.473 -7.427 1.00 0.32 C ATOM 1081 O ASP A 76 -5.773 2.110 -8.538 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.189 4.941 -7.549 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.635 5.241 -7.217 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -8.528 4.600 -7.810 1.00 0.80 O ATOM 1085 OD2 ASP A 76 -7.888 6.090 -6.334 1.00 1.65 O ATOM 0 H ASP A 76 -3.798 4.471 -7.455 1.00 0.35 H new ATOM 0 HA ASP A 76 -5.956 3.787 -5.755 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -5.582 5.817 -7.322 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.099 4.760 -8.620 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.029 1.791 -6.714 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.660 0.602 -7.232 1.00 0.30 C ATOM 1092 C LEU A 77 -9.114 0.878 -7.538 1.00 0.32 C ATOM 1093 O LEU A 77 -9.703 1.820 -7.011 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.550 -0.538 -6.227 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.139 -1.075 -5.994 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -6.196 -2.385 -5.227 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -5.380 -1.238 -7.312 1.00 0.94 C ATOM 0 H LEU A 77 -7.313 2.043 -5.767 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.151 0.311 -8.151 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.953 -0.198 -5.273 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.181 -1.360 -6.565 1.00 0.32 H new ATOM 0 HG LEU A 77 -5.591 -0.348 -5.394 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -5.184 -2.757 -5.067 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -6.679 -2.222 -4.264 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -6.766 -3.117 -5.799 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -4.380 -1.622 -7.111 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.914 -1.937 -7.955 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -5.304 -0.271 -7.810 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.671 0.070 -8.412 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.083 0.150 -8.700 1.00 0.39 C ATOM 1111 C GLY A 78 -11.885 -0.708 -7.749 1.00 0.34 C ATOM 1112 O GLY A 78 -11.367 -1.153 -6.722 1.00 0.44 O ATOM 0 H GLY A 78 -9.168 -0.648 -8.934 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.414 1.186 -8.626 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.266 -0.171 -9.726 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.137 -0.956 -8.088 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.013 -1.734 -7.229 1.00 0.46 C ATOM 1118 C PHE A 79 -13.629 -3.209 -7.224 1.00 0.45 C ATOM 1119 O PHE A 79 -13.387 -3.811 -8.272 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.472 -1.557 -7.650 1.00 0.61 C ATOM 1121 CG PHE A 79 -16.010 -0.191 -7.334 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -15.770 0.876 -8.184 1.00 1.73 C ATOM 1123 CD2 PHE A 79 -16.767 0.023 -6.193 1.00 2.78 C ATOM 1124 CE1 PHE A 79 -16.274 2.131 -7.902 1.00 2.78 C ATOM 1125 CE2 PHE A 79 -17.272 1.274 -5.905 1.00 3.87 C ATOM 1126 CZ PHE A 79 -16.985 2.340 -6.735 1.00 3.85 C ATOM 0 H PHE A 79 -13.571 -0.630 -8.952 1.00 0.47 H new ATOM 0 HA PHE A 79 -13.896 -1.361 -6.211 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.560 -1.738 -8.721 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.083 -2.308 -7.149 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -15.182 0.725 -9.077 1.00 1.73 H new ATOM 0 HD2 PHE A 79 -16.964 -0.799 -5.521 1.00 2.78 H new ATOM 0 HE1 PHE A 79 -16.113 2.947 -8.591 1.00 2.78 H new ATOM 0 HE2 PHE A 79 -17.891 1.420 -5.032 1.00 3.87 H new ATOM 0 HZ PHE A 79 -17.315 3.334 -6.473 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.561 -3.772 -6.031 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.238 -5.176 -5.841 1.00 0.45 C ATOM 1138 C PHE A 80 -14.203 -5.783 -4.852 1.00 0.46 C ATOM 1139 O PHE A 80 -14.839 -5.073 -4.076 1.00 0.55 O ATOM 1140 CB PHE A 80 -11.810 -5.359 -5.310 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.562 -4.721 -3.964 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.423 -3.346 -3.839 1.00 1.01 C ATOM 1143 CD2 PHE A 80 -11.472 -5.504 -2.822 1.00 0.89 C ATOM 1144 CE1 PHE A 80 -11.200 -2.767 -2.603 1.00 1.28 C ATOM 1145 CE2 PHE A 80 -11.247 -4.928 -1.586 1.00 1.19 C ATOM 1146 CZ PHE A 80 -11.112 -3.559 -1.478 1.00 1.31 C ATOM 0 H PHE A 80 -13.729 -3.266 -5.162 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.315 -5.671 -6.809 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -11.595 -6.425 -5.239 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.110 -4.940 -6.032 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -11.490 -2.721 -4.717 1.00 1.01 H new ATOM 0 HD2 PHE A 80 -11.579 -6.576 -2.900 1.00 0.89 H new ATOM 0 HE1 PHE A 80 -11.095 -1.695 -2.519 1.00 1.28 H new ATOM 0 HE2 PHE A 80 -11.177 -5.549 -0.705 1.00 1.19 H new ATOM 0 HZ PHE A 80 -10.937 -3.108 -0.512 1.00 1.31 H new ATOM 1156 N SER A 81 -14.305 -7.090 -4.874 1.00 0.50 N ATOM 1157 CA SER A 81 -15.123 -7.793 -3.911 1.00 0.55 C ATOM 1158 C SER A 81 -14.355 -7.913 -2.600 1.00 0.52 C ATOM 1159 O SER A 81 -13.226 -8.409 -2.580 1.00 0.54 O ATOM 1160 CB SER A 81 -15.502 -9.173 -4.447 1.00 0.69 C ATOM 1161 OG SER A 81 -16.011 -9.080 -5.768 1.00 1.17 O ATOM 0 H SER A 81 -13.832 -7.691 -5.549 1.00 0.50 H new ATOM 0 HA SER A 81 -16.044 -7.237 -3.735 1.00 0.55 H new ATOM 0 HB2 SER A 81 -14.629 -9.825 -4.434 1.00 0.69 H new ATOM 0 HB3 SER A 81 -16.249 -9.628 -3.796 1.00 0.69 H new ATOM 0 HG SER A 81 -16.246 -9.975 -6.092 1.00 1.17 H new ATOM 1167 N SER A 82 -14.954 -7.416 -1.523 1.00 0.59 N ATOM 1168 CA SER A 82 -14.322 -7.424 -0.211 1.00 0.63 C ATOM 1169 C SER A 82 -13.850 -8.829 0.151 1.00 0.59 C ATOM 1170 O SER A 82 -14.649 -9.763 0.249 1.00 0.63 O ATOM 1171 CB SER A 82 -15.296 -6.895 0.844 1.00 0.77 C ATOM 1172 OG SER A 82 -15.764 -5.597 0.502 1.00 1.19 O ATOM 0 H SER A 82 -15.885 -6.999 -1.535 1.00 0.59 H new ATOM 0 HA SER A 82 -13.450 -6.771 -0.241 1.00 0.63 H new ATOM 0 HB2 SER A 82 -16.141 -7.577 0.938 1.00 0.77 H new ATOM 0 HB3 SER A 82 -14.803 -6.863 1.816 1.00 0.77 H new ATOM 0 HG SER A 82 -16.327 -5.653 -0.298 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.544 -8.972 0.317 1.00 0.58 N ATOM 1179 CA GLY A 83 -11.975 -10.266 0.617 1.00 0.62 C ATOM 1180 C GLY A 83 -11.093 -10.784 -0.503 1.00 0.64 C ATOM 1181 O GLY A 83 -10.444 -11.817 -0.353 1.00 0.79 O ATOM 0 H GLY A 83 -11.867 -8.212 0.249 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.390 -10.199 1.535 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -12.778 -10.979 0.802 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.059 -10.074 -1.629 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.230 -10.491 -2.752 1.00 0.62 C ATOM 1187 C GLU A 84 -8.907 -9.722 -2.754 1.00 0.58 C ATOM 1188 O GLU A 84 -8.481 -9.177 -3.775 1.00 0.87 O ATOM 1189 CB GLU A 84 -10.978 -10.288 -4.075 1.00 0.73 C ATOM 1190 CG GLU A 84 -10.296 -10.936 -5.271 1.00 1.17 C ATOM 1191 CD GLU A 84 -11.002 -10.647 -6.576 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -10.841 -9.531 -7.113 1.00 1.55 O ATOM 1193 OE2 GLU A 84 -11.735 -11.530 -7.066 1.00 1.43 O ATOM 0 H GLU A 84 -11.590 -9.217 -1.785 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.008 -11.553 -2.644 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -11.985 -10.694 -3.979 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -11.082 -9.219 -4.263 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -9.267 -10.581 -5.333 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -10.252 -12.014 -5.118 1.00 1.17 H new ATOM 1200 N MET A 85 -8.262 -9.668 -1.597 1.00 0.47 N ATOM 1201 CA MET A 85 -6.966 -9.012 -1.476 1.00 0.44 C ATOM 1202 C MET A 85 -6.011 -9.866 -0.655 1.00 0.47 C ATOM 1203 O MET A 85 -5.458 -10.851 -1.146 1.00 0.73 O ATOM 1204 CB MET A 85 -7.100 -7.624 -0.834 1.00 0.39 C ATOM 1205 CG MET A 85 -7.797 -6.594 -1.705 1.00 0.37 C ATOM 1206 SD MET A 85 -6.895 -6.255 -3.230 1.00 0.39 S ATOM 1207 CE MET A 85 -8.024 -5.133 -4.050 1.00 0.39 C ATOM 0 H MET A 85 -8.614 -10.070 -0.728 1.00 0.47 H new ATOM 0 HA MET A 85 -6.565 -8.889 -2.482 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.650 -7.722 0.102 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.105 -7.256 -0.583 1.00 0.39 H new ATOM 0 HG2 MET A 85 -8.798 -6.948 -1.950 1.00 0.37 H new ATOM 0 HG3 MET A 85 -7.915 -5.668 -1.143 1.00 0.37 H new ATOM 0 HE1 MET A 85 -7.613 -4.847 -5.018 1.00 0.39 H new ATOM 0 HE2 MET A 85 -8.985 -5.626 -4.195 1.00 0.39 H new ATOM 0 HE3 MET A 85 -8.162 -4.243 -3.437 1.00 0.39 H new ATOM 1217 N MET A 86 -5.848 -9.491 0.606 1.00 0.33 N ATOM 1218 CA MET A 86 -5.018 -10.227 1.547 1.00 0.35 C ATOM 1219 C MET A 86 -5.659 -10.117 2.913 1.00 0.40 C ATOM 1220 O MET A 86 -6.309 -9.109 3.191 1.00 0.76 O ATOM 1221 CB MET A 86 -3.596 -9.654 1.602 1.00 0.33 C ATOM 1222 CG MET A 86 -2.903 -9.583 0.249 1.00 0.43 C ATOM 1223 SD MET A 86 -1.372 -8.634 0.287 1.00 1.16 S ATOM 1224 CE MET A 86 -0.910 -8.692 -1.443 1.00 1.39 C ATOM 0 H MET A 86 -6.290 -8.664 1.006 1.00 0.33 H new ATOM 0 HA MET A 86 -4.944 -11.267 1.228 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.635 -8.653 2.031 1.00 0.33 H new ATOM 0 HB3 MET A 86 -2.995 -10.266 2.275 1.00 0.33 H new ATOM 0 HG2 MET A 86 -2.688 -10.594 -0.096 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.582 -9.136 -0.477 1.00 0.43 H new ATOM 0 HE1 MET A 86 0.023 -8.147 -1.589 1.00 1.39 H new ATOM 0 HE2 MET A 86 -0.776 -9.729 -1.749 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.695 -8.235 -2.045 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.489 -11.122 3.755 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.163 -11.145 5.052 1.00 0.32 C ATOM 1236 C LYS A 87 -5.907 -9.862 5.861 1.00 0.27 C ATOM 1237 O LYS A 87 -6.862 -9.186 6.242 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.763 -12.388 5.853 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.510 -12.529 7.172 1.00 0.97 C ATOM 1240 CD LYS A 87 -6.051 -13.750 7.958 1.00 1.46 C ATOM 1241 CE LYS A 87 -4.634 -13.585 8.489 1.00 2.00 C ATOM 1242 NZ LYS A 87 -4.534 -12.479 9.477 1.00 2.37 N ATOM 0 H LYS A 87 -4.895 -11.930 3.570 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.234 -11.191 4.857 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -5.944 -13.275 5.246 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.692 -12.352 6.053 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -6.358 -11.632 7.773 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.580 -12.604 6.977 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -6.733 -13.923 8.791 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -6.099 -14.632 7.319 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -4.310 -14.516 8.954 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -3.956 -13.391 7.658 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -3.637 -12.558 9.997 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -4.567 -11.566 8.980 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -5.328 -12.538 10.146 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.632 -9.468 6.104 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.335 -8.290 6.926 1.00 0.25 C ATOM 1258 C PRO A 88 -4.574 -6.987 6.168 1.00 0.22 C ATOM 1259 O PRO A 88 -4.889 -5.954 6.759 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.855 -8.462 7.253 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.295 -9.197 6.086 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.393 -10.101 5.590 1.00 0.27 C ATOM 0 HA PRO A 88 -4.974 -8.225 7.807 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.364 -7.498 7.387 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.716 -9.022 8.178 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.979 -8.505 5.306 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.417 -9.774 6.375 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.398 -10.164 4.502 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.276 -11.117 5.968 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.432 -7.064 4.853 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.619 -5.920 3.974 1.00 0.17 C ATOM 1272 C PHE A 89 -6.085 -5.515 3.952 1.00 0.18 C ATOM 1273 O PHE A 89 -6.432 -4.388 4.288 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.155 -6.314 2.568 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.318 -5.264 1.502 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.539 -5.079 0.873 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.243 -4.489 1.106 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.687 -4.137 -0.124 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.384 -3.549 0.104 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.609 -3.373 -0.511 1.00 0.19 C ATOM 0 H PHE A 89 -4.183 -7.924 4.365 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.037 -5.071 4.332 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.102 -6.592 2.619 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.705 -7.204 2.261 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.386 -5.681 1.167 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.284 -4.620 1.585 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.647 -3.999 -0.600 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.537 -2.951 -0.199 1.00 0.20 H new ATOM 0 HZ PHE A 89 -4.721 -2.637 -1.294 1.00 0.19 H new ATOM 1290 N GLU A 90 -6.934 -6.470 3.594 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.366 -6.244 3.468 1.00 0.24 C ATOM 1292 C GLU A 90 -8.954 -5.912 4.832 1.00 0.25 C ATOM 1293 O GLU A 90 -9.834 -5.061 4.956 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.012 -7.496 2.867 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.432 -7.308 2.358 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.478 -7.566 3.423 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.680 -8.733 3.797 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.107 -6.592 3.887 1.00 1.78 O ATOM 0 H GLU A 90 -6.647 -7.426 3.382 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.563 -5.400 2.807 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.391 -7.847 2.043 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.014 -8.283 3.622 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.546 -6.291 1.982 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -10.603 -7.980 1.517 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.424 -6.577 5.853 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.789 -6.305 7.241 1.00 0.29 C ATOM 1307 C ASP A 91 -8.639 -4.822 7.565 1.00 0.25 C ATOM 1308 O ASP A 91 -9.436 -4.255 8.315 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.906 -7.126 8.182 1.00 0.35 C ATOM 1310 CG ASP A 91 -8.213 -6.884 9.644 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -9.134 -7.535 10.176 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -7.526 -6.048 10.270 1.00 0.54 O ATOM 0 H ASP A 91 -7.731 -7.318 5.744 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.833 -6.586 7.379 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -8.035 -8.185 7.960 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.860 -6.886 7.992 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.624 -4.197 6.983 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.360 -2.786 7.213 1.00 0.19 C ATOM 1319 C ALA A 92 -8.213 -1.910 6.303 1.00 0.18 C ATOM 1320 O ALA A 92 -8.548 -0.781 6.658 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.887 -2.485 7.004 1.00 0.22 C ATOM 0 H ALA A 92 -6.968 -4.649 6.346 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.625 -2.558 8.245 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.704 -1.425 7.180 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.292 -3.076 7.700 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.606 -2.737 5.982 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.589 -2.443 5.145 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.355 -1.682 4.166 1.00 0.19 C ATOM 1329 C VAL A 93 -10.763 -1.445 4.681 1.00 0.19 C ATOM 1330 O VAL A 93 -11.267 -0.322 4.668 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.449 -2.404 2.805 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.083 -1.497 1.771 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.085 -2.877 2.332 1.00 0.21 C ATOM 0 H VAL A 93 -8.375 -3.399 4.862 1.00 0.18 H new ATOM 0 HA VAL A 93 -8.831 -0.738 4.020 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.078 -3.284 2.936 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.143 -2.020 0.816 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.086 -1.220 2.096 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.477 -0.598 1.655 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.188 -3.381 1.371 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.420 -2.020 2.223 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.667 -3.570 3.062 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.381 -2.514 5.161 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.734 -2.447 5.691 1.00 0.27 C ATOM 1345 C ARG A 94 -12.750 -1.750 7.047 1.00 0.25 C ATOM 1346 O ARG A 94 -13.809 -1.487 7.611 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.335 -3.856 5.787 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.522 -4.844 6.617 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.803 -4.714 8.106 1.00 1.03 C ATOM 1350 NE ARG A 94 -12.016 -5.661 8.895 1.00 0.98 N ATOM 1351 CZ ARG A 94 -12.542 -6.546 9.742 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -13.854 -6.594 9.930 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -11.752 -7.379 10.408 1.00 1.70 N ATOM 0 H ARG A 94 -10.963 -3.444 5.194 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.347 -1.858 5.009 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.335 -3.781 6.214 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.448 -4.257 4.780 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -12.749 -5.860 6.294 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -11.460 -4.681 6.434 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -12.579 -3.698 8.430 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -13.864 -4.881 8.291 1.00 1.03 H new ATOM 0 HE ARG A 94 -11.001 -5.643 8.791 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -14.465 -5.952 9.425 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -14.252 -7.273 10.579 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -10.742 -7.342 10.272 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -12.155 -8.056 11.056 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.563 -1.463 7.564 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.430 -0.757 8.826 1.00 0.25 C ATOM 1369 C ALA A 95 -11.554 0.743 8.605 1.00 0.26 C ATOM 1370 O ALA A 95 -11.857 1.497 9.530 1.00 0.47 O ATOM 1371 CB ALA A 95 -10.103 -1.091 9.486 1.00 0.26 C ATOM 0 H ALA A 95 -10.676 -1.711 7.125 1.00 0.23 H new ATOM 0 HA ALA A 95 -12.232 -1.078 9.490 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -10.021 -0.553 10.430 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -10.050 -2.163 9.673 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -9.285 -0.797 8.828 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.332 1.173 7.371 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.419 2.584 7.039 1.00 0.19 C ATOM 1379 C LEU A 96 -12.834 2.932 6.637 1.00 0.21 C ATOM 1380 O LEU A 96 -13.535 2.119 6.034 1.00 0.28 O ATOM 1381 CB LEU A 96 -10.520 2.948 5.855 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.239 2.154 5.705 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -8.790 2.182 4.260 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -8.165 2.744 6.591 1.00 0.28 C ATOM 0 H LEU A 96 -11.091 0.566 6.587 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.103 3.134 7.925 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -11.100 2.834 4.939 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -10.259 4.003 5.938 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.417 1.121 6.004 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -7.868 1.610 4.154 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -9.564 1.743 3.630 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -8.614 3.213 3.953 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.245 2.170 6.480 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.983 3.779 6.302 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -8.491 2.709 7.630 1.00 0.28 H new ATOM 1396 N LYS A 97 -13.249 4.136 6.962 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.420 4.704 6.340 1.00 0.31 C ATOM 1398 C LYS A 97 -13.951 5.373 5.053 1.00 0.28 C ATOM 1399 O LYS A 97 -12.747 5.539 4.854 1.00 0.25 O ATOM 1400 CB LYS A 97 -15.100 5.709 7.279 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.420 6.253 6.757 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.462 5.157 6.606 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.751 5.698 6.015 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.824 4.669 5.969 1.00 1.61 N ATOM 0 H LYS A 97 -12.795 4.737 7.650 1.00 0.24 H new ATOM 0 HA LYS A 97 -15.162 3.936 6.122 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.273 5.230 8.243 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.420 6.543 7.455 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.793 7.018 7.438 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -16.258 6.736 5.793 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -17.070 4.366 5.967 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.665 4.709 7.579 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -19.091 6.548 6.606 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.560 6.066 5.007 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.685 5.083 5.558 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -19.512 3.868 5.384 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -20.026 4.335 6.933 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.870 5.720 4.170 1.00 0.32 N ATOM 1419 CA ILE A 98 -14.503 6.371 2.922 1.00 0.32 C ATOM 1420 C ILE A 98 -13.683 7.630 3.200 1.00 0.32 C ATOM 1421 O ILE A 98 -14.173 8.578 3.814 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.753 6.737 2.097 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -16.581 5.479 1.816 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -15.350 7.426 0.801 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.804 5.725 0.959 1.00 0.90 C ATOM 0 H ILE A 98 -15.871 5.564 4.291 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.901 5.669 2.345 1.00 0.32 H new ATOM 0 HB ILE A 98 -16.367 7.432 2.670 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.947 4.742 1.323 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.896 5.045 2.765 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -16.244 7.678 0.230 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.797 8.337 1.030 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -14.721 6.757 0.214 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -18.336 4.786 0.806 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -18.461 6.437 1.458 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -17.497 6.129 -0.006 1.00 0.90 H new ATOM 1437 N GLY A 99 -12.427 7.619 2.769 1.00 0.30 N ATOM 1438 CA GLY A 99 -11.556 8.749 3.014 1.00 0.32 C ATOM 1439 C GLY A 99 -10.565 8.519 4.146 1.00 0.32 C ATOM 1440 O GLY A 99 -9.914 9.464 4.594 1.00 0.46 O ATOM 0 H GLY A 99 -11.999 6.849 2.256 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -11.006 8.978 2.101 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -12.165 9.623 3.247 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.442 7.282 4.625 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.520 6.992 5.718 1.00 0.19 C ATOM 1446 C ASP A 100 -8.318 6.211 5.207 1.00 0.15 C ATOM 1447 O ASP A 100 -8.435 5.448 4.246 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.224 6.212 6.834 1.00 0.22 C ATOM 1449 CG ASP A 100 -11.018 7.101 7.765 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.407 7.908 8.494 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.259 6.989 7.789 1.00 0.37 O ATOM 0 H ASP A 100 -10.962 6.476 4.278 1.00 0.21 H new ATOM 0 HA ASP A 100 -9.173 7.940 6.129 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.891 5.474 6.389 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.480 5.663 7.411 1.00 0.22 H new ATOM 1456 N ILE A 101 -7.165 6.409 5.843 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.934 5.737 5.433 1.00 0.16 C ATOM 1458 C ILE A 101 -5.436 4.805 6.535 1.00 0.16 C ATOM 1459 O ILE A 101 -5.561 5.102 7.722 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.808 6.743 5.103 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.334 7.897 4.244 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.659 6.037 4.389 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -4.289 8.949 3.930 1.00 0.21 C ATOM 0 H ILE A 101 -7.058 7.030 6.645 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.175 5.168 4.535 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.441 7.158 6.042 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.723 7.494 3.309 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -6.170 8.370 4.760 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.873 6.758 4.163 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.258 5.253 5.032 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -4.024 5.595 3.462 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.735 9.734 3.319 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.916 9.380 4.859 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.463 8.491 3.386 1.00 0.21 H new ATOM 1475 N SER A 102 -4.861 3.688 6.127 1.00 0.16 N ATOM 1476 CA SER A 102 -4.343 2.688 7.048 1.00 0.19 C ATOM 1477 C SER A 102 -2.881 2.962 7.366 1.00 0.18 C ATOM 1478 O SER A 102 -2.149 3.491 6.529 1.00 0.22 O ATOM 1479 CB SER A 102 -4.459 1.296 6.423 1.00 0.25 C ATOM 1480 OG SER A 102 -5.780 1.026 6.000 1.00 0.92 O ATOM 0 H SER A 102 -4.739 3.446 5.144 1.00 0.16 H new ATOM 0 HA SER A 102 -4.927 2.735 7.967 1.00 0.19 H new ATOM 0 HB2 SER A 102 -3.781 1.220 5.573 1.00 0.25 H new ATOM 0 HB3 SER A 102 -4.147 0.544 7.147 1.00 0.25 H new ATOM 0 HG SER A 102 -5.970 1.528 5.180 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.439 2.606 8.580 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.030 2.676 8.957 1.00 0.23 C ATOM 1488 C PRO A 103 -0.235 1.533 8.334 1.00 0.20 C ATOM 1489 O PRO A 103 -0.809 0.674 7.660 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.069 2.542 10.478 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.289 1.733 10.751 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.284 2.109 9.684 1.00 0.28 C ATOM 0 HA PRO A 103 -0.545 3.591 8.617 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.173 2.049 10.856 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.124 3.518 10.961 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.066 0.667 10.718 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.684 1.945 11.745 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -3.884 1.253 9.376 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -3.977 2.874 10.034 1.00 0.28 H new ATOM 1500 N ILE A 104 1.077 1.542 8.547 1.00 0.17 N ATOM 1501 CA ILE A 104 1.967 0.494 8.034 1.00 0.15 C ATOM 1502 C ILE A 104 1.459 -0.911 8.372 1.00 0.14 C ATOM 1503 O ILE A 104 1.642 -1.393 9.490 1.00 0.20 O ATOM 1504 CB ILE A 104 3.392 0.634 8.613 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.859 2.091 8.556 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.362 -0.270 7.860 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.818 2.695 7.172 1.00 0.17 C ATOM 0 H ILE A 104 1.556 2.270 9.077 1.00 0.17 H new ATOM 0 HA ILE A 104 1.985 0.623 6.952 1.00 0.15 H new ATOM 0 HB ILE A 104 3.371 0.325 9.658 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.235 2.688 9.221 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.878 2.150 8.937 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.362 -0.160 8.280 1.00 0.15 H new ATOM 0 HG22 ILE A 104 4.041 -1.307 7.955 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.378 0.010 6.807 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.163 3.728 7.215 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.465 2.124 6.506 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.796 2.670 6.794 1.00 0.17 H new ATOM 1519 N VAL A 105 0.826 -1.559 7.404 1.00 0.13 N ATOM 1520 CA VAL A 105 0.360 -2.928 7.571 1.00 0.15 C ATOM 1521 C VAL A 105 1.228 -3.885 6.753 1.00 0.15 C ATOM 1522 O VAL A 105 1.339 -3.758 5.531 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.140 -3.075 7.185 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.431 -2.451 5.832 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.575 -4.534 7.189 1.00 1.04 C ATOM 0 H VAL A 105 0.623 -1.155 6.490 1.00 0.13 H new ATOM 0 HA VAL A 105 0.450 -3.187 8.626 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.715 -2.540 7.941 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.488 -2.573 5.595 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.185 -1.389 5.860 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.829 -2.942 5.068 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.628 -4.600 6.915 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -0.977 -5.094 6.470 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.432 -4.954 8.185 1.00 1.04 H new ATOM 1535 N GLN A 106 1.873 -4.824 7.434 1.00 0.18 N ATOM 1536 CA GLN A 106 2.743 -5.778 6.767 1.00 0.20 C ATOM 1537 C GLN A 106 1.945 -6.971 6.258 1.00 0.23 C ATOM 1538 O GLN A 106 0.926 -7.348 6.842 1.00 0.29 O ATOM 1539 CB GLN A 106 3.849 -6.260 7.704 1.00 0.24 C ATOM 1540 CG GLN A 106 4.776 -5.159 8.191 1.00 0.25 C ATOM 1541 CD GLN A 106 5.987 -5.716 8.911 1.00 0.30 C ATOM 1542 OE1 GLN A 106 5.959 -5.926 10.124 1.00 0.55 O ATOM 1543 NE2 GLN A 106 7.059 -5.959 8.168 1.00 0.28 N ATOM 0 H GLN A 106 1.809 -4.943 8.445 1.00 0.18 H new ATOM 0 HA GLN A 106 3.201 -5.270 5.919 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.393 -6.744 8.568 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.441 -7.017 7.190 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.103 -4.558 7.342 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.230 -4.494 8.860 1.00 0.25 H new ATOM 0 HE21 GLN A 106 7.038 -5.770 7.166 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.904 -6.335 8.599 1.00 0.28 H new ATOM 1552 N THR A 107 2.420 -7.554 5.172 1.00 0.22 N ATOM 1553 CA THR A 107 1.759 -8.682 4.542 1.00 0.27 C ATOM 1554 C THR A 107 2.718 -9.854 4.369 1.00 0.34 C ATOM 1555 O THR A 107 3.845 -9.812 4.866 1.00 0.37 O ATOM 1556 CB THR A 107 1.195 -8.276 3.172 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.138 -7.435 2.496 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.134 -7.552 3.322 1.00 0.27 C ATOM 0 H THR A 107 3.276 -7.258 4.702 1.00 0.22 H new ATOM 0 HA THR A 107 0.942 -8.993 5.193 1.00 0.27 H new ATOM 0 HB THR A 107 1.024 -9.179 2.586 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.676 -6.649 2.137 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.511 -7.276 2.337 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.852 -8.208 3.815 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.007 -6.653 3.922 1.00 0.27 H new ATOM 1566 N ASP A 108 2.277 -10.888 3.664 1.00 0.40 N ATOM 1567 CA ASP A 108 3.102 -12.071 3.435 1.00 0.49 C ATOM 1568 C ASP A 108 4.381 -11.724 2.672 1.00 0.45 C ATOM 1569 O ASP A 108 5.435 -12.309 2.919 1.00 0.53 O ATOM 1570 CB ASP A 108 2.314 -13.152 2.682 1.00 0.60 C ATOM 1571 CG ASP A 108 1.888 -12.726 1.289 1.00 1.37 C ATOM 1572 OD1 ASP A 108 1.028 -11.827 1.169 1.00 1.67 O ATOM 1573 OD2 ASP A 108 2.427 -13.272 0.301 1.00 2.16 O ATOM 0 H ASP A 108 1.351 -10.933 3.239 1.00 0.40 H new ATOM 0 HA ASP A 108 3.386 -12.462 4.412 1.00 0.49 H new ATOM 0 HB2 ASP A 108 2.925 -14.052 2.608 1.00 0.60 H new ATOM 0 HB3 ASP A 108 1.428 -13.415 3.260 1.00 0.60 H new ATOM 1578 N SER A 109 4.300 -10.766 1.759 1.00 0.39 N ATOM 1579 CA SER A 109 5.473 -10.369 0.999 1.00 0.43 C ATOM 1580 C SER A 109 6.115 -9.130 1.614 1.00 0.53 C ATOM 1581 O SER A 109 7.238 -9.202 2.097 1.00 1.09 O ATOM 1582 CB SER A 109 5.082 -10.114 -0.461 1.00 0.47 C ATOM 1583 OG SER A 109 6.211 -10.106 -1.320 1.00 0.60 O ATOM 0 H SER A 109 3.447 -10.257 1.530 1.00 0.39 H new ATOM 0 HA SER A 109 6.206 -11.175 1.029 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.383 -10.883 -0.789 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.563 -9.158 -0.536 1.00 0.47 H new ATOM 0 HG SER A 109 7.030 -10.152 -0.784 1.00 0.60 H new ATOM 1589 N GLY A 110 5.391 -8.015 1.683 1.00 0.22 N ATOM 1590 CA GLY A 110 6.020 -6.800 2.136 1.00 0.19 C ATOM 1591 C GLY A 110 5.100 -5.888 2.912 1.00 0.16 C ATOM 1592 O GLY A 110 4.358 -6.323 3.789 1.00 0.24 O ATOM 0 H GLY A 110 4.404 -7.937 1.438 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.875 -7.056 2.762 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.408 -6.260 1.273 1.00 0.19 H new ATOM 1596 N LEU A 111 5.142 -4.622 2.558 1.00 0.12 N ATOM 1597 CA LEU A 111 4.495 -3.563 3.325 1.00 0.11 C ATOM 1598 C LEU A 111 3.365 -2.919 2.538 1.00 0.11 C ATOM 1599 O LEU A 111 3.426 -2.835 1.314 1.00 0.13 O ATOM 1600 CB LEU A 111 5.527 -2.498 3.688 1.00 0.12 C ATOM 1601 CG LEU A 111 6.115 -2.585 5.097 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.707 -3.960 5.361 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.172 -1.511 5.279 1.00 0.19 C ATOM 0 H LEU A 111 5.628 -4.289 1.725 1.00 0.12 H new ATOM 0 HA LEU A 111 4.074 -4.006 4.228 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.345 -2.554 2.970 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.065 -1.518 3.569 1.00 0.12 H new ATOM 0 HG LEU A 111 5.312 -2.425 5.816 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.117 -3.992 6.370 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.929 -4.716 5.262 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.500 -4.159 4.640 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.588 -1.577 6.284 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.967 -1.655 4.547 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.721 -0.529 5.137 1.00 0.19 H new ATOM 1615 N HIS A 112 2.333 -2.467 3.240 1.00 0.11 N ATOM 1616 CA HIS A 112 1.201 -1.813 2.595 1.00 0.12 C ATOM 1617 C HIS A 112 0.631 -0.685 3.438 1.00 0.14 C ATOM 1618 O HIS A 112 0.746 -0.681 4.661 1.00 0.22 O ATOM 1619 CB HIS A 112 0.070 -2.806 2.326 1.00 0.14 C ATOM 1620 CG HIS A 112 0.334 -3.765 1.216 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.904 -4.985 1.227 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 -0.049 -3.528 -0.085 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.851 -5.467 -0.056 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.272 -4.572 -0.829 1.00 0.21 N flip ATOM 0 H HIS A 112 2.256 -2.541 4.254 1.00 0.11 H new ATOM 0 HA HIS A 112 1.586 -1.408 1.659 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.124 -3.371 3.238 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.838 -2.248 2.098 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.535 -2.631 -0.441 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.224 -6.427 -0.380 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.101 -4.668 -1.830 1.00 0.21 H new ATOM 1633 N ILE A 113 0.050 0.286 2.749 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.901 1.211 3.337 1.00 0.13 C ATOM 1635 C ILE A 113 -2.080 1.333 2.384 1.00 0.12 C ATOM 1636 O ILE A 113 -1.897 1.266 1.164 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.302 2.608 3.585 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.440 3.088 2.340 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.621 2.578 4.791 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.447 4.583 2.171 1.00 0.17 C ATOM 0 H ILE A 113 0.228 0.453 1.759 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.201 0.820 4.309 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.109 3.310 3.794 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.470 2.733 2.383 1.00 0.15 H new ATOM 0 HG13 ILE A 113 -0.017 2.635 1.460 1.00 0.15 H new ATOM 0 HG21 ILE A 113 1.038 3.572 4.955 1.00 0.15 H new ATOM 0 HG22 ILE A 113 0.058 2.270 5.672 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.430 1.870 4.612 1.00 0.15 H new ATOM 0 HD11 ILE A 113 0.993 4.844 1.265 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.578 4.945 2.094 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.931 5.044 3.032 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.281 1.466 2.918 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.469 1.523 2.078 1.00 0.11 C ATOM 1654 C ILE A 114 -5.374 2.666 2.506 1.00 0.11 C ATOM 1655 O ILE A 114 -5.565 2.890 3.698 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.307 0.219 2.128 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.436 -1.038 2.235 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.183 0.129 0.889 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -4.067 -1.422 3.655 1.00 0.18 C ATOM 0 H ILE A 114 -3.461 1.536 3.919 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.104 1.669 1.061 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.922 0.263 3.027 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.963 -1.872 1.771 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.521 -0.882 1.664 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.771 -0.788 0.925 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.852 0.989 0.853 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.554 0.122 -0.001 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.451 -2.321 3.640 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.510 -0.608 4.119 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.974 -1.613 4.228 1.00 0.18 H new ATOM 1671 N LYS A 115 -5.926 3.386 1.543 1.00 0.13 N ATOM 1672 CA LYS A 115 -6.936 4.389 1.837 1.00 0.14 C ATOM 1673 C LYS A 115 -8.214 4.061 1.072 1.00 0.15 C ATOM 1674 O LYS A 115 -8.172 3.712 -0.107 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.448 5.803 1.495 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.458 6.134 0.013 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.122 7.594 -0.228 1.00 0.24 C ATOM 1678 CE LYS A 115 -6.470 8.027 -1.641 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.250 9.483 -1.841 1.00 0.61 N ATOM 0 H LYS A 115 -5.693 3.295 0.554 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.138 4.370 2.908 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.073 6.526 2.019 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.433 5.925 1.874 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -5.738 5.502 -0.508 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.440 5.911 -0.405 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.664 8.214 0.486 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.059 7.757 -0.049 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -5.864 7.467 -2.353 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -7.512 7.785 -1.849 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -6.498 9.741 -2.817 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -6.847 10.018 -1.179 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.250 9.710 -1.667 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.344 4.152 1.749 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.617 3.764 1.156 1.00 0.17 C ATOM 1695 C ARG A 116 -11.215 4.908 0.345 1.00 0.19 C ATOM 1696 O ARG A 116 -11.429 6.002 0.862 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.583 3.316 2.253 1.00 0.21 C ATOM 1698 CG ARG A 116 -12.941 2.859 1.752 1.00 0.28 C ATOM 1699 CD ARG A 116 -13.745 2.236 2.880 1.00 0.49 C ATOM 1700 NE ARG A 116 -15.153 2.085 2.536 1.00 0.79 N ATOM 1701 CZ ARG A 116 -16.096 1.702 3.393 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -15.788 1.436 4.659 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -17.352 1.597 2.983 1.00 1.87 N ATOM 0 H ARG A 116 -9.410 4.490 2.709 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.444 2.931 0.474 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.124 2.501 2.812 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.727 4.141 2.951 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.485 3.707 1.335 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -12.813 2.136 0.947 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -13.326 1.260 3.126 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.655 2.855 3.772 1.00 0.49 H new ATOM 0 HE ARG A 116 -15.434 2.286 1.576 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -14.824 1.525 4.979 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -16.516 1.143 5.310 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -17.592 1.809 2.015 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -18.079 1.304 3.636 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.474 4.645 -0.929 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.057 5.641 -1.818 1.00 0.27 C ATOM 1719 C LEU A 117 -13.573 5.516 -1.851 1.00 0.29 C ATOM 1720 O LEU A 117 -14.283 6.507 -2.025 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.513 5.488 -3.243 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.135 6.080 -3.524 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -9.996 7.447 -2.906 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.049 5.162 -3.027 1.00 0.80 C ATOM 0 H LEU A 117 -11.288 3.745 -1.372 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.783 6.623 -1.431 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.480 4.425 -3.481 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.225 5.946 -3.929 1.00 0.32 H new ATOM 0 HG LEU A 117 -10.030 6.185 -4.604 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -9.004 7.845 -3.122 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.753 8.113 -3.321 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.130 7.374 -1.827 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.075 5.603 -3.238 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.158 5.018 -1.952 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -9.128 4.199 -3.531 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.060 4.292 -1.707 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.490 4.032 -1.709 1.00 0.30 C ATOM 1738 C ALA A 118 -15.779 2.690 -1.058 1.00 0.30 C ATOM 1739 O ALA A 118 -15.754 1.665 -1.768 1.00 1.10 O ATOM 1740 CB ALA A 118 -16.044 4.067 -3.129 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.011 2.663 0.164 1.00 1.09 O ATOM 0 H ALA A 118 -13.482 3.460 -1.587 1.00 0.26 H new ATOM 0 HA ALA A 118 -15.984 4.815 -1.133 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.116 3.870 -3.106 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.865 5.050 -3.565 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.548 3.307 -3.732 1.00 0.39 H new TER 1747 ALA A 118