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 7 LYS NZ :NH3+ -159:sc= 1.07 (180deg=0) USER MOD Set 1.2: A 81 SER OG : rot -126:sc= 2.14 USER MOD Set 2.1: A 25 SER OG : rot -156:sc= 0.00943 USER MOD Set 2.2: A 28 THR OG1 : rot -99:sc= 1.27 USER MOD Set 3.1: A 16 LYS NZ :NH3+ 160:sc= 1.1 (180deg=-0.678) USER MOD Set 3.2: A 22 ASN : amide:sc= 0.985 K(o=2.1,f=-15!) USER MOD Set 4.1: A 12 HIS : no HE2:sc= -1.68! C(o=-4!,f=-14!) USER MOD Set 4.2: A 66 SER OG : rot 180:sc= 0.131 USER MOD Set 4.3: A 68 CYS SG : rot -166:sc= 0.536 USER MOD Set 4.4: A 70 SER OG : rot 170:sc= 0.0419 USER MOD Set 4.5: A 107 THR OG1 : rot -139:sc= 1.03 USER MOD Set 4.6: A 112 HIS :FLIP no HD1:sc= -4.02! C(o=-7.5!,f=-4!) 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 -74:sc= 1.21 USER MOD Single : A 20 SER OG : rot 58:sc= 1.56 USER MOD Single : A 31 SER OG : rot 180:sc= -0.151 USER MOD Single : A 32 THR OG1 : rot -165:sc= 0.113 USER MOD Single : A 36 THR OG1 : rot -85:sc= 1.58 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -69:sc= 0.173 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -3:sc= -0.89 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 79:sc= 1.09 USER MOD Single : A 64 GLN : amide:sc= 1.18 K(o=1.2,f=-0.063) 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 180:sc= -0.0943 USER MOD Single : A 85 MET CE :methyl -163:sc= -1.32 (180deg=-2.19!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= -0.0141 (180deg=-0.172) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -81:sc= 2.18 USER MOD Single : A 106 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 109 SER OG : rot 25:sc= -0.552! USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 -25.930 -4.615 1.089 1.00 4.59 N ATOM 2 CA MET A 4 -26.421 -4.658 -0.306 1.00 4.13 C ATOM 3 C MET A 4 -25.309 -5.110 -1.242 1.00 3.08 C ATOM 4 O MET A 4 -25.325 -6.231 -1.747 1.00 3.52 O ATOM 5 CB MET A 4 -26.940 -3.284 -0.754 1.00 4.92 C ATOM 6 CG MET A 4 -28.153 -2.786 0.018 1.00 5.54 C ATOM 7 SD MET A 4 -27.787 -2.413 1.743 1.00 6.61 S ATOM 8 CE MET A 4 -29.380 -1.812 2.298 1.00 7.23 C ATOM 0 HA MET A 4 -27.245 -5.371 -0.347 1.00 4.13 H new ATOM 0 HB2 MET A 4 -26.136 -2.555 -0.652 1.00 4.92 H new ATOM 0 HB3 MET A 4 -27.194 -3.333 -1.813 1.00 4.92 H new ATOM 0 HG2 MET A 4 -28.542 -1.891 -0.467 1.00 5.54 H new ATOM 0 HG3 MET A 4 -28.939 -3.540 -0.026 1.00 5.54 H new ATOM 0 HE1 MET A 4 -29.319 -1.539 3.351 1.00 7.23 H new ATOM 0 HE2 MET A 4 -29.663 -0.938 1.712 1.00 7.23 H new ATOM 0 HE3 MET A 4 -30.129 -2.593 2.169 1.00 7.23 H new ATOM 20 N SER A 5 -24.334 -4.240 -1.454 1.00 2.21 N ATOM 21 CA SER A 5 -23.239 -4.533 -2.359 1.00 1.64 C ATOM 22 C SER A 5 -22.023 -5.030 -1.588 1.00 1.29 C ATOM 23 O SER A 5 -21.912 -4.818 -0.380 1.00 1.48 O ATOM 24 CB SER A 5 -22.886 -3.280 -3.158 1.00 2.23 C ATOM 25 OG SER A 5 -22.594 -2.197 -2.295 1.00 2.88 O ATOM 0 H SER A 5 -24.281 -3.324 -1.009 1.00 2.21 H new ATOM 0 HA SER A 5 -23.550 -5.320 -3.046 1.00 1.64 H new ATOM 0 HB2 SER A 5 -22.027 -3.482 -3.798 1.00 2.23 H new ATOM 0 HB3 SER A 5 -23.716 -3.015 -3.813 1.00 2.23 H new ATOM 0 HG SER A 5 -22.369 -1.406 -2.828 1.00 2.88 H new ATOM 31 N GLU A 6 -21.113 -5.677 -2.295 1.00 1.02 N ATOM 32 CA GLU A 6 -19.919 -6.247 -1.684 1.00 0.78 C ATOM 33 C GLU A 6 -18.666 -5.622 -2.278 1.00 0.71 C ATOM 34 O GLU A 6 -17.549 -5.875 -1.818 1.00 1.06 O ATOM 35 CB GLU A 6 -19.887 -7.762 -1.900 1.00 0.86 C ATOM 36 CG GLU A 6 -19.841 -8.162 -3.365 1.00 1.37 C ATOM 37 CD GLU A 6 -20.012 -9.650 -3.571 1.00 2.17 C ATOM 38 OE1 GLU A 6 -21.131 -10.164 -3.355 1.00 2.56 O ATOM 39 OE2 GLU A 6 -19.023 -10.318 -3.945 1.00 2.80 O ATOM 0 H GLU A 6 -21.177 -5.823 -3.302 1.00 1.02 H new ATOM 0 HA GLU A 6 -19.948 -6.036 -0.615 1.00 0.78 H new ATOM 0 HB2 GLU A 6 -19.017 -8.176 -1.391 1.00 0.86 H new ATOM 0 HB3 GLU A 6 -20.768 -8.206 -1.437 1.00 0.86 H new ATOM 0 HG2 GLU A 6 -20.625 -7.632 -3.906 1.00 1.37 H new ATOM 0 HG3 GLU A 6 -18.889 -7.847 -3.793 1.00 1.37 H new ATOM 46 N LYS A 7 -18.858 -4.807 -3.306 1.00 0.57 N ATOM 47 CA LYS A 7 -17.739 -4.217 -4.015 1.00 0.51 C ATOM 48 C LYS A 7 -17.163 -3.033 -3.260 1.00 0.42 C ATOM 49 O LYS A 7 -17.872 -2.110 -2.861 1.00 0.60 O ATOM 50 CB LYS A 7 -18.138 -3.817 -5.433 1.00 0.64 C ATOM 51 CG LYS A 7 -18.380 -5.016 -6.333 1.00 0.92 C ATOM 52 CD LYS A 7 -17.109 -5.827 -6.557 1.00 0.87 C ATOM 53 CE LYS A 7 -17.397 -7.097 -7.342 1.00 1.10 C ATOM 54 NZ LYS A 7 -16.244 -8.038 -7.348 1.00 1.19 N ATOM 0 H LYS A 7 -19.776 -4.542 -3.664 1.00 0.57 H new ATOM 0 HA LYS A 7 -16.959 -4.975 -4.083 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.042 -3.209 -5.394 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -17.354 -3.196 -5.865 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.144 -5.654 -5.889 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -18.767 -4.676 -7.294 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -16.379 -5.222 -7.094 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -16.664 -6.084 -5.596 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -18.266 -7.596 -6.914 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -17.653 -6.835 -8.369 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -16.334 -8.692 -8.151 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -15.358 -7.501 -7.437 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -16.233 -8.579 -6.460 1.00 1.19 H new ATOM 68 N LEU A 8 -15.867 -3.101 -3.058 1.00 0.33 N ATOM 69 CA LEU A 8 -15.111 -2.084 -2.366 1.00 0.26 C ATOM 70 C LEU A 8 -14.064 -1.538 -3.334 1.00 0.22 C ATOM 71 O LEU A 8 -13.753 -2.183 -4.336 1.00 0.22 O ATOM 72 CB LEU A 8 -14.457 -2.727 -1.132 1.00 0.25 C ATOM 73 CG LEU A 8 -14.225 -1.827 0.091 1.00 0.33 C ATOM 74 CD1 LEU A 8 -13.941 -2.675 1.322 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.072 -0.868 -0.146 1.00 0.81 C ATOM 0 H LEU A 8 -15.297 -3.884 -3.378 1.00 0.33 H new ATOM 0 HA LEU A 8 -15.743 -1.261 -2.032 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.078 -3.567 -0.820 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.494 -3.138 -1.436 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.131 -1.244 0.254 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -13.778 -2.025 2.182 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -14.791 -3.329 1.517 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -13.050 -3.279 1.150 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -12.931 -0.244 0.736 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.161 -1.435 -0.339 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.295 -0.236 -1.006 1.00 0.81 H new ATOM 87 N ARG A 9 -13.553 -0.356 -3.058 1.00 0.24 N ATOM 88 CA ARG A 9 -12.487 0.229 -3.850 1.00 0.23 C ATOM 89 C ARG A 9 -11.512 0.924 -2.922 1.00 0.20 C ATOM 90 O ARG A 9 -11.921 1.727 -2.087 1.00 0.21 O ATOM 91 CB ARG A 9 -13.032 1.234 -4.868 1.00 0.25 C ATOM 92 CG ARG A 9 -11.938 1.915 -5.676 1.00 0.26 C ATOM 93 CD ARG A 9 -12.495 2.976 -6.607 1.00 0.34 C ATOM 94 NE ARG A 9 -11.433 3.672 -7.338 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.633 4.371 -8.453 1.00 0.81 C ATOM 96 NH1 ARG A 9 -12.867 4.558 -8.906 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.603 4.893 -9.111 1.00 0.98 N ATOM 0 H ARG A 9 -13.863 0.227 -2.280 1.00 0.24 H new ATOM 0 HA ARG A 9 -11.987 -0.567 -4.402 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -13.712 0.721 -5.548 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.615 1.992 -4.345 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.217 2.371 -4.998 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.399 1.168 -6.259 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.181 2.513 -7.316 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.073 3.698 -6.030 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.483 3.618 -6.970 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.661 4.166 -8.400 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.021 5.094 -9.760 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.654 4.759 -8.762 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.762 5.428 -9.965 1.00 0.98 H new ATOM 111 N ALA A 10 -10.237 0.598 -3.032 1.00 0.20 N ATOM 112 CA ALA A 10 -9.246 1.214 -2.168 1.00 0.17 C ATOM 113 C ALA A 10 -7.950 1.520 -2.905 1.00 0.16 C ATOM 114 O ALA A 10 -7.619 0.881 -3.908 1.00 0.17 O ATOM 115 CB ALA A 10 -8.981 0.318 -0.971 1.00 0.22 C ATOM 0 H ALA A 10 -9.867 -0.079 -3.700 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.649 2.168 -1.827 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.237 0.784 -0.325 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -9.906 0.173 -0.413 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.610 -0.648 -1.314 1.00 0.22 H new ATOM 121 N ALA A 11 -7.231 2.513 -2.400 1.00 0.17 N ATOM 122 CA ALA A 11 -5.920 2.862 -2.914 1.00 0.18 C ATOM 123 C ALA A 11 -4.865 2.362 -1.949 1.00 0.17 C ATOM 124 O ALA A 11 -4.994 2.540 -0.739 1.00 0.19 O ATOM 125 CB ALA A 11 -5.796 4.366 -3.120 1.00 0.20 C ATOM 0 H ALA A 11 -7.542 3.097 -1.624 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.777 2.389 -3.886 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.804 4.600 -3.506 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.550 4.699 -3.833 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.945 4.877 -2.169 1.00 0.20 H new ATOM 131 N HIS A 12 -3.824 1.744 -2.475 1.00 0.16 N ATOM 132 CA HIS A 12 -2.859 1.061 -1.634 1.00 0.16 C ATOM 133 C HIS A 12 -1.442 1.252 -2.158 1.00 0.15 C ATOM 134 O HIS A 12 -1.198 1.188 -3.364 1.00 0.19 O ATOM 135 CB HIS A 12 -3.193 -0.435 -1.542 1.00 0.17 C ATOM 136 CG HIS A 12 -2.996 -1.199 -2.820 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.632 -0.887 -4.000 1.00 0.23 N ATOM 138 CD2 HIS A 12 -2.215 -2.270 -3.093 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.248 -1.732 -4.935 1.00 0.23 C ATOM 140 NE2 HIS A 12 -2.393 -2.581 -4.413 1.00 0.21 N ATOM 0 H HIS A 12 -3.626 1.701 -3.475 1.00 0.16 H new ATOM 0 HA HIS A 12 -2.914 1.497 -0.637 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.574 -0.885 -0.766 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.230 -0.544 -1.225 1.00 0.17 H new ATOM 0 HD1 HIS A 12 -4.295 -0.123 -4.130 1.00 0.23 H new ATOM 0 HD2 HIS A 12 -1.570 -2.785 -2.396 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.582 -1.727 -5.962 1.00 0.23 H new ATOM 149 N LEU A 13 -0.518 1.480 -1.244 1.00 0.15 N ATOM 150 CA LEU A 13 0.885 1.626 -1.590 1.00 0.14 C ATOM 151 C LEU A 13 1.633 0.399 -1.085 1.00 0.16 C ATOM 152 O LEU A 13 1.360 -0.086 0.014 1.00 0.24 O ATOM 153 CB LEU A 13 1.447 2.921 -0.979 1.00 0.15 C ATOM 154 CG LEU A 13 2.752 3.455 -1.590 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.915 4.933 -1.273 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.958 2.683 -1.079 1.00 0.18 C ATOM 0 H LEU A 13 -0.716 1.569 -0.247 1.00 0.15 H new ATOM 0 HA LEU A 13 1.007 1.698 -2.671 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.687 3.697 -1.065 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.612 2.753 0.085 1.00 0.15 H new ATOM 0 HG LEU A 13 2.693 3.321 -2.670 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.843 5.299 -1.712 1.00 0.16 H new ATOM 0 HD12 LEU A 13 2.074 5.489 -1.687 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.945 5.072 -0.192 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.865 3.085 -1.530 1.00 0.18 H new ATOM 0 HD22 LEU A 13 4.019 2.779 0.005 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.856 1.631 -1.345 1.00 0.18 H new ATOM 168 N LEU A 14 2.532 -0.123 -1.900 1.00 0.13 N ATOM 169 CA LEU A 14 3.259 -1.339 -1.564 1.00 0.14 C ATOM 170 C LEU A 14 4.759 -1.080 -1.525 1.00 0.16 C ATOM 171 O LEU A 14 5.293 -0.404 -2.393 1.00 0.27 O ATOM 172 CB LEU A 14 2.916 -2.428 -2.591 1.00 0.16 C ATOM 173 CG LEU A 14 3.750 -3.719 -2.550 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.809 -4.313 -1.153 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.168 -4.735 -3.517 1.00 0.27 C ATOM 0 H LEU A 14 2.779 0.277 -2.805 1.00 0.13 H new ATOM 0 HA LEU A 14 2.961 -1.675 -0.571 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.868 -2.698 -2.460 1.00 0.16 H new ATOM 0 HB3 LEU A 14 3.011 -1.995 -3.587 1.00 0.16 H new ATOM 0 HG LEU A 14 4.769 -3.466 -2.844 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.408 -5.224 -1.170 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.261 -3.594 -0.471 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.800 -4.549 -0.815 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.761 -5.649 -3.485 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.140 -4.960 -3.233 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.184 -4.326 -4.527 1.00 0.27 H new ATOM 187 N VAL A 15 5.416 -1.592 -0.497 1.00 0.13 N ATOM 188 CA VAL A 15 6.866 -1.524 -0.401 1.00 0.13 C ATOM 189 C VAL A 15 7.444 -2.930 -0.291 1.00 0.13 C ATOM 190 O VAL A 15 6.939 -3.763 0.470 1.00 0.15 O ATOM 191 CB VAL A 15 7.330 -0.684 0.812 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.849 -0.649 0.903 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.778 0.729 0.733 1.00 0.15 C ATOM 0 H VAL A 15 4.965 -2.062 0.288 1.00 0.13 H new ATOM 0 HA VAL A 15 7.229 -1.036 -1.306 1.00 0.13 H new ATOM 0 HB VAL A 15 6.942 -1.160 1.713 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.148 -0.052 1.764 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.230 -1.664 1.015 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.258 -0.206 -0.005 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.117 1.301 1.596 1.00 0.15 H new ATOM 0 HG22 VAL A 15 7.131 1.207 -0.181 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.689 0.694 0.726 1.00 0.15 H new ATOM 203 N LYS A 16 8.479 -3.192 -1.071 1.00 0.15 N ATOM 204 CA LYS A 16 9.167 -4.471 -1.044 1.00 0.17 C ATOM 205 C LYS A 16 10.498 -4.344 -0.322 1.00 0.16 C ATOM 206 O LYS A 16 11.138 -3.293 -0.349 1.00 0.24 O ATOM 207 CB LYS A 16 9.411 -4.977 -2.465 1.00 0.23 C ATOM 208 CG LYS A 16 8.142 -5.245 -3.245 1.00 0.26 C ATOM 209 CD LYS A 16 7.304 -6.312 -2.575 1.00 0.37 C ATOM 210 CE LYS A 16 6.098 -6.678 -3.424 1.00 0.48 C ATOM 211 NZ LYS A 16 6.465 -6.999 -4.829 1.00 0.62 N ATOM 0 H LYS A 16 8.865 -2.525 -1.739 1.00 0.15 H new ATOM 0 HA LYS A 16 8.535 -5.182 -0.512 1.00 0.17 H new ATOM 0 HB2 LYS A 16 10.009 -4.243 -3.004 1.00 0.23 H new ATOM 0 HB3 LYS A 16 9.998 -5.894 -2.418 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.564 -4.325 -3.331 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.394 -5.559 -4.258 1.00 0.26 H new ATOM 0 HD2 LYS A 16 7.912 -7.200 -2.401 1.00 0.37 H new ATOM 0 HD3 LYS A 16 6.971 -5.957 -1.600 1.00 0.37 H new ATOM 0 HE2 LYS A 16 5.592 -7.535 -2.980 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.389 -5.850 -3.417 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.703 -7.554 -5.269 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 6.603 -6.117 -5.362 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.346 -7.551 -4.840 1.00 0.62 H new ATOM 225 N PHE A 17 10.913 -5.425 0.305 1.00 0.17 N ATOM 226 CA PHE A 17 12.169 -5.469 1.031 1.00 0.17 C ATOM 227 C PHE A 17 12.785 -6.850 0.903 1.00 0.19 C ATOM 228 O PHE A 17 12.119 -7.788 0.470 1.00 0.21 O ATOM 229 CB PHE A 17 11.978 -5.087 2.506 1.00 0.17 C ATOM 230 CG PHE A 17 11.015 -5.952 3.276 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.442 -7.123 3.886 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.686 -5.581 3.407 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.561 -7.907 4.606 1.00 0.23 C ATOM 234 CE2 PHE A 17 8.803 -6.361 4.129 1.00 0.23 C ATOM 235 CZ PHE A 17 9.239 -7.525 4.728 1.00 0.25 C ATOM 0 H PHE A 17 10.389 -6.300 0.327 1.00 0.17 H new ATOM 0 HA PHE A 17 12.847 -4.736 0.594 1.00 0.17 H new ATOM 0 HB2 PHE A 17 12.948 -5.122 3.002 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.632 -4.055 2.555 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.475 -7.425 3.797 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.337 -4.672 2.940 1.00 0.20 H new ATOM 0 HE1 PHE A 17 10.906 -8.818 5.073 1.00 0.23 H new ATOM 0 HE2 PHE A 17 7.770 -6.059 4.225 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.549 -8.136 5.291 1.00 0.25 H new ATOM 245 N SER A 18 14.067 -6.959 1.203 1.00 0.22 N ATOM 246 CA SER A 18 14.745 -8.246 1.179 1.00 0.26 C ATOM 247 C SER A 18 13.966 -9.278 2.009 1.00 0.30 C ATOM 248 O SER A 18 13.916 -9.195 3.239 1.00 0.30 O ATOM 249 CB SER A 18 16.175 -8.077 1.707 1.00 0.29 C ATOM 250 OG SER A 18 16.191 -7.422 2.966 1.00 1.04 O ATOM 0 H SER A 18 14.661 -6.173 1.466 1.00 0.22 H new ATOM 0 HA SER A 18 14.791 -8.614 0.154 1.00 0.26 H new ATOM 0 HB2 SER A 18 16.648 -9.055 1.798 1.00 0.29 H new ATOM 0 HB3 SER A 18 16.763 -7.504 0.990 1.00 0.29 H new ATOM 0 HG SER A 18 15.999 -6.469 2.841 1.00 1.04 H new ATOM 256 N GLY A 19 13.349 -10.243 1.329 1.00 0.35 N ATOM 257 CA GLY A 19 12.527 -11.222 2.016 1.00 0.45 C ATOM 258 C GLY A 19 11.041 -11.052 1.727 1.00 0.42 C ATOM 259 O GLY A 19 10.205 -11.691 2.362 1.00 0.53 O ATOM 0 H GLY A 19 13.404 -10.363 0.318 1.00 0.35 H new ATOM 0 HA2 GLY A 19 12.838 -12.224 1.719 1.00 0.45 H new ATOM 0 HA3 GLY A 19 12.695 -11.141 3.090 1.00 0.45 H new ATOM 263 N SER A 20 10.706 -10.192 0.769 1.00 0.34 N ATOM 264 CA SER A 20 9.312 -9.914 0.446 1.00 0.41 C ATOM 265 C SER A 20 8.769 -10.847 -0.629 1.00 0.40 C ATOM 266 O SER A 20 7.952 -10.429 -1.455 1.00 0.45 O ATOM 267 CB SER A 20 9.158 -8.468 -0.019 1.00 0.51 C ATOM 268 OG SER A 20 9.448 -7.571 1.030 1.00 0.70 O ATOM 0 H SER A 20 11.381 -9.677 0.204 1.00 0.34 H new ATOM 0 HA SER A 20 8.736 -10.080 1.356 1.00 0.41 H new ATOM 0 HB2 SER A 20 9.825 -8.279 -0.860 1.00 0.51 H new ATOM 0 HB3 SER A 20 8.141 -8.302 -0.375 1.00 0.51 H new ATOM 0 HG SER A 20 10.357 -7.734 1.358 1.00 0.70 H new ATOM 274 N ARG A 21 9.234 -12.096 -0.627 1.00 0.43 N ATOM 275 CA ARG A 21 8.811 -13.105 -1.602 1.00 0.49 C ATOM 276 C ARG A 21 9.419 -12.822 -2.982 1.00 0.51 C ATOM 277 O ARG A 21 9.681 -13.740 -3.760 1.00 0.60 O ATOM 278 CB ARG A 21 7.273 -13.195 -1.654 1.00 0.58 C ATOM 279 CG ARG A 21 6.740 -14.083 -2.763 1.00 1.25 C ATOM 280 CD ARG A 21 5.243 -14.292 -2.630 1.00 1.25 C ATOM 281 NE ARG A 21 4.711 -15.112 -3.715 1.00 2.28 N ATOM 282 CZ ARG A 21 4.095 -16.280 -3.539 1.00 2.47 C ATOM 283 NH1 ARG A 21 3.931 -16.777 -2.317 1.00 1.89 N ATOM 284 NH2 ARG A 21 3.648 -16.956 -4.592 1.00 3.49 N ATOM 0 H ARG A 21 9.915 -12.439 0.051 1.00 0.43 H new ATOM 0 HA ARG A 21 9.185 -14.078 -1.282 1.00 0.49 H new ATOM 0 HB2 ARG A 21 6.909 -13.570 -0.697 1.00 0.58 H new ATOM 0 HB3 ARG A 21 6.865 -12.192 -1.779 1.00 0.58 H new ATOM 0 HG2 ARG A 21 6.962 -13.633 -3.731 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.248 -15.047 -2.736 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.026 -14.769 -1.674 1.00 1.25 H new ATOM 0 HD3 ARG A 21 4.740 -13.325 -2.625 1.00 1.25 H new ATOM 0 HE ARG A 21 4.818 -14.768 -4.669 1.00 2.28 H new ATOM 0 HH11 ARG A 21 4.278 -16.263 -1.507 1.00 1.89 H new ATOM 0 HH12 ARG A 21 3.458 -17.672 -2.190 1.00 1.89 H new ATOM 0 HH21 ARG A 21 3.777 -16.580 -5.531 1.00 3.49 H new ATOM 0 HH22 ARG A 21 3.176 -17.851 -4.461 1.00 3.49 H new ATOM 298 N ASN A 22 9.643 -11.550 -3.263 1.00 0.51 N ATOM 299 CA ASN A 22 10.358 -11.114 -4.449 1.00 0.62 C ATOM 300 C ASN A 22 11.137 -9.842 -4.116 1.00 0.58 C ATOM 301 O ASN A 22 10.552 -8.807 -3.792 1.00 0.64 O ATOM 302 CB ASN A 22 9.393 -10.890 -5.625 1.00 0.87 C ATOM 303 CG ASN A 22 8.251 -9.939 -5.304 1.00 0.93 C ATOM 304 OD1 ASN A 22 8.362 -8.729 -5.484 1.00 1.77 O ATOM 305 ND2 ASN A 22 7.136 -10.488 -4.843 1.00 0.80 N ATOM 0 H ASN A 22 9.330 -10.783 -2.668 1.00 0.51 H new ATOM 0 HA ASN A 22 11.057 -11.891 -4.758 1.00 0.62 H new ATOM 0 HB2 ASN A 22 9.953 -10.498 -6.474 1.00 0.87 H new ATOM 0 HB3 ASN A 22 8.979 -11.850 -5.932 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.331 -9.901 -4.624 1.00 0.80 H new ATOM 0 HD22 ASN A 22 7.083 -11.497 -4.707 1.00 0.80 H new ATOM 312 N PRO A 23 12.473 -9.907 -4.150 1.00 0.55 N ATOM 313 CA PRO A 23 13.323 -8.809 -3.710 1.00 0.61 C ATOM 314 C PRO A 23 13.595 -7.774 -4.805 1.00 0.79 C ATOM 315 O PRO A 23 14.743 -7.423 -5.068 1.00 1.71 O ATOM 316 CB PRO A 23 14.608 -9.526 -3.317 1.00 0.66 C ATOM 317 CG PRO A 23 14.689 -10.693 -4.246 1.00 0.73 C ATOM 318 CD PRO A 23 13.269 -11.059 -4.614 1.00 0.57 C ATOM 0 HA PRO A 23 12.861 -8.231 -2.910 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.474 -8.873 -3.424 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.579 -9.849 -2.276 1.00 0.66 H new ATOM 0 HG2 PRO A 23 15.266 -10.439 -5.136 1.00 0.73 H new ATOM 0 HG3 PRO A 23 15.193 -11.533 -3.768 1.00 0.73 H new ATOM 0 HD2 PRO A 23 13.162 -11.212 -5.688 1.00 0.57 H new ATOM 0 HD3 PRO A 23 12.956 -11.983 -4.127 1.00 0.57 H new ATOM 326 N VAL A 24 12.532 -7.275 -5.420 1.00 0.39 N ATOM 327 CA VAL A 24 12.623 -6.237 -6.447 1.00 0.36 C ATOM 328 C VAL A 24 11.452 -5.275 -6.297 1.00 0.32 C ATOM 329 O VAL A 24 10.297 -5.686 -6.370 1.00 0.35 O ATOM 330 CB VAL A 24 12.601 -6.809 -7.887 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.730 -5.686 -8.913 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.699 -7.843 -8.090 1.00 0.48 C ATOM 0 H VAL A 24 11.578 -7.577 -5.223 1.00 0.39 H new ATOM 0 HA VAL A 24 13.578 -5.732 -6.301 1.00 0.36 H new ATOM 0 HB VAL A 24 11.642 -7.306 -8.032 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.713 -6.108 -9.918 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.899 -4.990 -8.797 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.671 -5.157 -8.758 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.656 -8.224 -9.110 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.671 -7.381 -7.916 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.558 -8.666 -7.389 1.00 0.48 H new ATOM 342 N SER A 25 11.744 -4.009 -6.060 1.00 0.32 N ATOM 343 CA SER A 25 10.701 -3.016 -5.893 1.00 0.32 C ATOM 344 C SER A 25 10.566 -2.150 -7.148 1.00 0.32 C ATOM 345 O SER A 25 11.515 -2.020 -7.922 1.00 0.36 O ATOM 346 CB SER A 25 11.023 -2.166 -4.662 1.00 0.42 C ATOM 347 OG SER A 25 12.366 -1.721 -4.678 1.00 1.12 O ATOM 0 H SER A 25 12.694 -3.646 -5.979 1.00 0.32 H new ATOM 0 HA SER A 25 9.742 -3.513 -5.744 1.00 0.32 H new ATOM 0 HB2 SER A 25 10.354 -1.306 -4.627 1.00 0.42 H new ATOM 0 HB3 SER A 25 10.842 -2.748 -3.759 1.00 0.42 H new ATOM 0 HG SER A 25 12.657 -1.526 -3.763 1.00 1.12 H new ATOM 353 N ARG A 26 9.385 -1.560 -7.339 1.00 0.32 N ATOM 354 CA ARG A 26 9.158 -0.594 -8.418 1.00 0.34 C ATOM 355 C ARG A 26 9.919 0.684 -8.111 1.00 0.37 C ATOM 356 O ARG A 26 10.146 1.524 -8.985 1.00 0.44 O ATOM 357 CB ARG A 26 7.668 -0.269 -8.576 1.00 0.39 C ATOM 358 CG ARG A 26 6.918 -1.182 -9.543 1.00 0.52 C ATOM 359 CD ARG A 26 7.076 -2.659 -9.217 1.00 0.82 C ATOM 360 NE ARG A 26 6.648 -3.497 -10.340 1.00 1.21 N ATOM 361 CZ ARG A 26 5.873 -4.579 -10.232 1.00 1.88 C ATOM 362 NH1 ARG A 26 5.435 -4.985 -9.047 1.00 2.47 N ATOM 363 NH2 ARG A 26 5.535 -5.260 -11.319 1.00 2.54 N ATOM 0 H ARG A 26 8.566 -1.735 -6.757 1.00 0.32 H new ATOM 0 HA ARG A 26 9.511 -1.034 -9.351 1.00 0.34 H new ATOM 0 HB2 ARG A 26 7.191 -0.327 -7.598 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.568 0.761 -8.918 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.859 -0.925 -9.528 1.00 0.52 H new ATOM 0 HG3 ARG A 26 7.276 -1.000 -10.556 1.00 0.52 H new ATOM 0 HD2 ARG A 26 8.118 -2.872 -8.977 1.00 0.82 H new ATOM 0 HD3 ARG A 26 6.489 -2.904 -8.332 1.00 0.82 H new ATOM 0 HE ARG A 26 6.965 -3.235 -11.273 1.00 1.21 H new ATOM 0 HH11 ARG A 26 5.690 -4.469 -8.205 1.00 2.47 H new ATOM 0 HH12 ARG A 26 4.844 -5.813 -8.978 1.00 2.47 H new ATOM 0 HH21 ARG A 26 5.867 -4.957 -12.235 1.00 2.54 H new ATOM 0 HH22 ARG A 26 4.943 -6.087 -11.239 1.00 2.54 H new ATOM 377 N ARG A 27 10.307 0.813 -6.851 1.00 0.36 N ATOM 378 CA ARG A 27 11.020 1.985 -6.375 1.00 0.44 C ATOM 379 C ARG A 27 12.510 1.881 -6.683 1.00 0.53 C ATOM 380 O ARG A 27 13.196 2.895 -6.800 1.00 0.73 O ATOM 381 CB ARG A 27 10.790 2.160 -4.871 1.00 0.52 C ATOM 382 CG ARG A 27 10.384 3.572 -4.486 1.00 0.55 C ATOM 383 CD ARG A 27 11.577 4.508 -4.374 1.00 0.70 C ATOM 384 NE ARG A 27 12.343 4.274 -3.153 1.00 0.91 N ATOM 385 CZ ARG A 27 13.670 4.283 -3.088 1.00 1.12 C ATOM 386 NH1 ARG A 27 14.397 4.507 -4.178 1.00 1.77 N ATOM 387 NH2 ARG A 27 14.268 4.073 -1.923 1.00 1.63 N ATOM 0 H ARG A 27 10.136 0.109 -6.133 1.00 0.36 H new ATOM 0 HA ARG A 27 10.633 2.861 -6.896 1.00 0.44 H new ATOM 0 HB2 ARG A 27 10.016 1.465 -4.546 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.702 1.893 -4.337 1.00 0.52 H new ATOM 0 HG2 ARG A 27 9.688 3.962 -5.229 1.00 0.55 H new ATOM 0 HG3 ARG A 27 9.854 3.548 -3.534 1.00 0.55 H new ATOM 0 HD2 ARG A 27 12.225 4.374 -5.240 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.230 5.541 -4.392 1.00 0.70 H new ATOM 0 HE ARG A 27 11.825 4.092 -2.293 1.00 0.91 H new ATOM 0 HH11 ARG A 27 13.937 4.674 -5.073 1.00 1.77 H new ATOM 0 HH12 ARG A 27 15.415 4.512 -4.120 1.00 1.77 H new ATOM 0 HH21 ARG A 27 13.710 3.906 -1.086 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.286 4.078 -1.864 1.00 1.63 H new ATOM 401 N THR A 28 13.014 0.659 -6.814 1.00 0.45 N ATOM 402 CA THR A 28 14.419 0.464 -7.144 1.00 0.53 C ATOM 403 C THR A 28 14.582 0.034 -8.593 1.00 0.55 C ATOM 404 O THR A 28 15.528 0.427 -9.272 1.00 0.67 O ATOM 405 CB THR A 28 15.064 -0.606 -6.240 1.00 0.55 C ATOM 406 OG1 THR A 28 14.367 -1.853 -6.386 1.00 0.55 O ATOM 407 CG2 THR A 28 15.020 -0.180 -4.788 1.00 0.53 C ATOM 0 H THR A 28 12.478 -0.201 -6.698 1.00 0.45 H new ATOM 0 HA THR A 28 14.917 1.420 -6.985 1.00 0.53 H new ATOM 0 HB THR A 28 16.104 -0.725 -6.543 1.00 0.55 H new ATOM 0 HG1 THR A 28 13.738 -1.965 -5.643 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.480 -0.950 -4.169 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.564 0.757 -4.667 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.984 -0.040 -4.481 1.00 0.53 H new ATOM 415 N GLY A 29 13.634 -0.768 -9.056 1.00 0.47 N ATOM 416 CA GLY A 29 13.664 -1.272 -10.419 1.00 0.52 C ATOM 417 C GLY A 29 14.671 -2.394 -10.615 1.00 0.58 C ATOM 418 O GLY A 29 14.554 -3.184 -11.550 1.00 0.82 O ATOM 0 H GLY A 29 12.835 -1.083 -8.506 1.00 0.47 H new ATOM 0 HA2 GLY A 29 12.671 -1.631 -10.690 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.903 -0.454 -11.098 1.00 0.52 H new ATOM 422 N ASP A 30 15.656 -2.468 -9.731 1.00 0.53 N ATOM 423 CA ASP A 30 16.686 -3.492 -9.812 1.00 0.58 C ATOM 424 C ASP A 30 16.404 -4.593 -8.809 1.00 0.55 C ATOM 425 O ASP A 30 15.953 -5.680 -9.168 1.00 0.84 O ATOM 426 CB ASP A 30 18.073 -2.900 -9.539 1.00 0.67 C ATOM 427 CG ASP A 30 18.506 -1.896 -10.585 1.00 1.31 C ATOM 428 OD1 ASP A 30 18.958 -2.320 -11.670 1.00 1.69 O ATOM 429 OD2 ASP A 30 18.381 -0.681 -10.335 1.00 2.10 O ATOM 0 H ASP A 30 15.763 -1.827 -8.945 1.00 0.53 H new ATOM 0 HA ASP A 30 16.674 -3.902 -10.822 1.00 0.58 H new ATOM 0 HB2 ASP A 30 18.070 -2.419 -8.561 1.00 0.67 H new ATOM 0 HB3 ASP A 30 18.804 -3.707 -9.494 1.00 0.67 H new ATOM 434 N SER A 31 16.686 -4.309 -7.547 1.00 0.53 N ATOM 435 CA SER A 31 16.391 -5.227 -6.462 1.00 0.50 C ATOM 436 C SER A 31 16.227 -4.455 -5.161 1.00 0.42 C ATOM 437 O SER A 31 16.819 -3.392 -4.985 1.00 0.48 O ATOM 438 CB SER A 31 17.493 -6.265 -6.313 1.00 0.62 C ATOM 439 OG SER A 31 17.731 -6.951 -7.534 1.00 1.08 O ATOM 0 H SER A 31 17.125 -3.438 -7.248 1.00 0.53 H new ATOM 0 HA SER A 31 15.461 -5.746 -6.695 1.00 0.50 H new ATOM 0 HB2 SER A 31 18.411 -5.778 -5.983 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.217 -6.982 -5.540 1.00 0.62 H new ATOM 0 HG SER A 31 18.445 -7.610 -7.405 1.00 1.08 H new ATOM 445 N THR A 32 15.428 -4.988 -4.256 1.00 0.34 N ATOM 446 CA THR A 32 15.236 -4.369 -2.954 1.00 0.29 C ATOM 447 C THR A 32 15.815 -5.282 -1.875 1.00 0.27 C ATOM 448 O THR A 32 15.465 -5.209 -0.698 1.00 0.28 O ATOM 449 CB THR A 32 13.743 -4.065 -2.690 1.00 0.27 C ATOM 450 OG1 THR A 32 13.580 -3.344 -1.469 1.00 0.27 O ATOM 451 CG2 THR A 32 12.922 -5.342 -2.643 1.00 0.29 C ATOM 0 H THR A 32 14.900 -5.849 -4.397 1.00 0.34 H new ATOM 0 HA THR A 32 15.761 -3.414 -2.933 1.00 0.29 H new ATOM 0 HB THR A 32 13.384 -3.451 -3.516 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.638 -3.366 -1.199 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.877 -5.096 -2.456 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.007 -5.864 -3.596 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.292 -5.983 -1.843 1.00 0.29 H new ATOM 459 N ALA A 33 16.742 -6.127 -2.303 1.00 0.31 N ATOM 460 CA ALA A 33 17.386 -7.095 -1.428 1.00 0.32 C ATOM 461 C ALA A 33 18.347 -6.415 -0.457 1.00 0.34 C ATOM 462 O ALA A 33 18.907 -7.049 0.435 1.00 0.37 O ATOM 463 CB ALA A 33 18.117 -8.129 -2.265 1.00 0.37 C ATOM 0 H ALA A 33 17.069 -6.160 -3.269 1.00 0.31 H new ATOM 0 HA ALA A 33 16.617 -7.589 -0.834 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.599 -8.854 -1.609 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.406 -8.642 -2.912 1.00 0.37 H new ATOM 0 HB3 ALA A 33 18.872 -7.635 -2.876 1.00 0.37 H new ATOM 469 N ASP A 34 18.522 -5.117 -0.641 1.00 0.35 N ATOM 470 CA ASP A 34 19.478 -4.338 0.138 1.00 0.40 C ATOM 471 C ASP A 34 18.774 -3.595 1.267 1.00 0.36 C ATOM 472 O ASP A 34 19.410 -3.101 2.200 1.00 0.43 O ATOM 473 CB ASP A 34 20.206 -3.334 -0.763 1.00 0.49 C ATOM 474 CG ASP A 34 20.896 -3.996 -1.941 1.00 1.29 C ATOM 475 OD1 ASP A 34 21.926 -4.675 -1.732 1.00 1.31 O ATOM 476 OD2 ASP A 34 20.412 -3.851 -3.081 1.00 2.21 O ATOM 0 H ASP A 34 18.008 -4.572 -1.333 1.00 0.35 H new ATOM 0 HA ASP A 34 20.205 -5.026 0.569 1.00 0.40 H new ATOM 0 HB2 ASP A 34 19.491 -2.599 -1.132 1.00 0.49 H new ATOM 0 HB3 ASP A 34 20.945 -2.792 -0.173 1.00 0.49 H new ATOM 481 N VAL A 35 17.456 -3.512 1.172 1.00 0.31 N ATOM 482 CA VAL A 35 16.652 -2.837 2.178 1.00 0.28 C ATOM 483 C VAL A 35 15.923 -3.870 3.032 1.00 0.25 C ATOM 484 O VAL A 35 15.433 -4.879 2.519 1.00 0.25 O ATOM 485 CB VAL A 35 15.665 -1.817 1.535 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.695 -1.897 0.014 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.247 -2.006 2.049 1.00 0.26 C ATOM 0 H VAL A 35 16.917 -3.907 0.401 1.00 0.31 H new ATOM 0 HA VAL A 35 17.314 -2.260 2.824 1.00 0.28 H new ATOM 0 HB VAL A 35 16.000 -0.823 1.831 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.995 -1.172 -0.402 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.701 -1.676 -0.342 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.410 -2.900 -0.303 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.589 -1.276 1.577 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.904 -3.012 1.809 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.230 -1.865 3.130 1.00 0.26 H new ATOM 497 N THR A 36 15.881 -3.633 4.336 1.00 0.25 N ATOM 498 CA THR A 36 15.296 -4.579 5.268 1.00 0.27 C ATOM 499 C THR A 36 13.850 -4.216 5.536 1.00 0.23 C ATOM 500 O THR A 36 13.357 -3.229 4.993 1.00 0.20 O ATOM 501 CB THR A 36 16.061 -4.585 6.603 1.00 0.31 C ATOM 502 OG1 THR A 36 16.082 -3.263 7.156 1.00 0.30 O ATOM 503 CG2 THR A 36 17.483 -5.093 6.414 1.00 0.39 C ATOM 0 H THR A 36 16.248 -2.787 4.772 1.00 0.25 H new ATOM 0 HA THR A 36 15.357 -5.570 4.819 1.00 0.27 H new ATOM 0 HB THR A 36 15.548 -5.257 7.291 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.832 -2.761 6.774 1.00 0.30 H new ATOM 0 HG21 THR A 36 18.002 -5.087 7.373 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.457 -6.110 6.022 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.010 -4.447 5.712 1.00 0.39 H new ATOM 511 N TYR A 37 13.169 -4.979 6.380 1.00 0.26 N ATOM 512 CA TYR A 37 11.804 -4.630 6.735 1.00 0.27 C ATOM 513 C TYR A 37 11.802 -3.289 7.469 1.00 0.23 C ATOM 514 O TYR A 37 10.847 -2.525 7.377 1.00 0.23 O ATOM 515 CB TYR A 37 11.138 -5.732 7.577 1.00 0.38 C ATOM 516 CG TYR A 37 11.540 -5.762 9.037 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.758 -6.292 9.439 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.685 -5.265 10.014 1.00 1.16 C ATOM 519 CE1 TYR A 37 13.115 -6.326 10.773 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.036 -5.294 11.350 1.00 1.53 C ATOM 521 CZ TYR A 37 12.252 -5.825 11.725 1.00 1.12 C ATOM 522 OH TYR A 37 12.607 -5.854 13.056 1.00 1.50 O ATOM 0 H TYR A 37 13.530 -5.824 6.822 1.00 0.26 H new ATOM 0 HA TYR A 37 11.215 -4.538 5.822 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.057 -5.609 7.517 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.374 -6.699 7.132 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.438 -6.684 8.697 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.731 -4.850 9.724 1.00 1.16 H new ATOM 0 HE1 TYR A 37 14.066 -6.743 11.069 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.361 -4.903 12.097 1.00 1.53 H new ATOM 0 HH TYR A 37 11.889 -5.462 13.595 1.00 1.50 H new ATOM 532 N GLU A 38 12.908 -2.990 8.151 1.00 0.23 N ATOM 533 CA GLU A 38 13.052 -1.727 8.865 1.00 0.24 C ATOM 534 C GLU A 38 13.310 -0.586 7.892 1.00 0.24 C ATOM 535 O GLU A 38 12.702 0.475 8.000 1.00 0.26 O ATOM 536 CB GLU A 38 14.181 -1.803 9.890 1.00 0.29 C ATOM 537 CG GLU A 38 13.896 -2.748 11.041 1.00 0.35 C ATOM 538 CD GLU A 38 14.977 -2.705 12.096 1.00 0.67 C ATOM 539 OE1 GLU A 38 14.873 -1.877 13.023 1.00 0.93 O ATOM 540 OE2 GLU A 38 15.939 -3.491 12.001 1.00 0.96 O ATOM 0 H GLU A 38 13.716 -3.608 8.222 1.00 0.23 H new ATOM 0 HA GLU A 38 12.118 -1.535 9.393 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.095 -2.121 9.388 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.366 -0.805 10.288 1.00 0.29 H new ATOM 0 HG2 GLU A 38 12.939 -2.489 11.493 1.00 0.35 H new ATOM 0 HG3 GLU A 38 13.803 -3.765 10.660 1.00 0.35 H new ATOM 547 N ASP A 39 14.202 -0.815 6.926 1.00 0.24 N ATOM 548 CA ASP A 39 14.477 0.190 5.896 1.00 0.26 C ATOM 549 C ASP A 39 13.221 0.444 5.083 1.00 0.22 C ATOM 550 O ASP A 39 12.971 1.555 4.617 1.00 0.23 O ATOM 551 CB ASP A 39 15.599 -0.256 4.954 1.00 0.31 C ATOM 552 CG ASP A 39 16.957 -0.314 5.616 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.568 0.753 5.823 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.427 -1.430 5.920 1.00 0.82 O ATOM 0 H ASP A 39 14.741 -1.676 6.835 1.00 0.24 H new ATOM 0 HA ASP A 39 14.795 1.102 6.400 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.357 -1.241 4.554 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.645 0.429 4.108 1.00 0.31 H new ATOM 559 N ALA A 40 12.438 -0.610 4.922 1.00 0.19 N ATOM 560 CA ALA A 40 11.176 -0.535 4.201 1.00 0.18 C ATOM 561 C ALA A 40 10.164 0.291 4.976 1.00 0.16 C ATOM 562 O ALA A 40 9.469 1.131 4.407 1.00 0.17 O ATOM 563 CB ALA A 40 10.635 -1.927 3.937 1.00 0.18 C ATOM 0 H ALA A 40 12.657 -1.538 5.285 1.00 0.19 H new ATOM 0 HA ALA A 40 11.355 -0.045 3.244 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.691 -1.854 3.397 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.353 -2.489 3.339 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.472 -2.440 4.885 1.00 0.18 H new ATOM 569 N ILE A 41 10.078 0.049 6.280 1.00 0.16 N ATOM 570 CA ILE A 41 9.223 0.850 7.143 1.00 0.18 C ATOM 571 C ILE A 41 9.712 2.289 7.152 1.00 0.20 C ATOM 572 O ILE A 41 8.916 3.226 7.187 1.00 0.21 O ATOM 573 CB ILE A 41 9.171 0.297 8.589 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.522 -1.087 8.606 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.409 1.247 9.503 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.554 -1.764 9.958 1.00 0.30 C ATOM 0 H ILE A 41 10.588 -0.693 6.759 1.00 0.16 H new ATOM 0 HA ILE A 41 8.210 0.805 6.742 1.00 0.18 H new ATOM 0 HB ILE A 41 10.193 0.210 8.958 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.486 -0.995 8.281 1.00 0.24 H new ATOM 0 HG13 ILE A 41 9.028 -1.723 7.880 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.385 0.839 10.513 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.906 2.217 9.515 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.390 1.366 9.135 1.00 0.27 H new ATOM 0 HD11 ILE A 41 8.075 -2.740 9.887 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.588 -1.890 10.277 1.00 0.30 H new ATOM 0 HD13 ILE A 41 8.022 -1.150 10.685 1.00 0.30 H new ATOM 588 N LYS A 42 11.026 2.459 7.076 1.00 0.22 N ATOM 589 CA LYS A 42 11.614 3.785 7.008 1.00 0.28 C ATOM 590 C LYS A 42 11.211 4.497 5.724 1.00 0.28 C ATOM 591 O LYS A 42 11.259 5.718 5.638 1.00 0.37 O ATOM 592 CB LYS A 42 13.123 3.718 7.123 1.00 0.31 C ATOM 593 CG LYS A 42 13.595 3.731 8.562 1.00 0.85 C ATOM 594 CD LYS A 42 13.257 5.038 9.268 1.00 1.14 C ATOM 595 CE LYS A 42 13.988 6.215 8.643 1.00 1.46 C ATOM 596 NZ LYS A 42 13.631 7.506 9.290 1.00 2.32 N ATOM 0 H LYS A 42 11.701 1.695 7.060 1.00 0.22 H new ATOM 0 HA LYS A 42 11.231 4.359 7.852 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.482 2.812 6.634 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.563 4.562 6.592 1.00 0.31 H new ATOM 0 HG2 LYS A 42 13.137 2.901 9.100 1.00 0.85 H new ATOM 0 HG3 LYS A 42 14.673 3.573 8.590 1.00 0.85 H new ATOM 0 HD2 LYS A 42 12.182 5.210 9.221 1.00 1.14 H new ATOM 0 HD3 LYS A 42 13.522 4.962 10.322 1.00 1.14 H new ATOM 0 HE2 LYS A 42 15.063 6.056 8.722 1.00 1.46 H new ATOM 0 HE3 LYS A 42 13.751 6.265 7.580 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 14.153 8.280 8.832 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 12.609 7.672 9.193 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 13.881 7.470 10.299 1.00 2.32 H new ATOM 610 N GLU A 43 10.810 3.717 4.732 1.00 0.22 N ATOM 611 CA GLU A 43 10.356 4.258 3.463 1.00 0.25 C ATOM 612 C GLU A 43 8.858 4.533 3.532 1.00 0.18 C ATOM 613 O GLU A 43 8.409 5.668 3.356 1.00 0.18 O ATOM 614 CB GLU A 43 10.659 3.272 2.329 1.00 0.33 C ATOM 615 CG GLU A 43 10.200 3.743 0.958 1.00 0.34 C ATOM 616 CD GLU A 43 11.342 4.208 0.073 1.00 0.55 C ATOM 617 OE1 GLU A 43 12.429 3.598 0.139 1.00 1.02 O ATOM 618 OE2 GLU A 43 11.172 5.196 -0.674 1.00 0.94 O ATOM 0 H GLU A 43 10.790 2.699 4.784 1.00 0.22 H new ATOM 0 HA GLU A 43 10.883 5.191 3.263 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.733 3.090 2.298 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.180 2.319 2.553 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.671 2.931 0.460 1.00 0.34 H new ATOM 0 HG3 GLU A 43 9.488 4.559 1.081 1.00 0.34 H new ATOM 625 N LEU A 44 8.098 3.483 3.835 1.00 0.16 N ATOM 626 CA LEU A 44 6.642 3.548 3.844 1.00 0.15 C ATOM 627 C LEU A 44 6.135 4.606 4.825 1.00 0.14 C ATOM 628 O LEU A 44 5.154 5.295 4.548 1.00 0.16 O ATOM 629 CB LEU A 44 6.050 2.177 4.198 1.00 0.13 C ATOM 630 CG LEU A 44 4.536 2.048 3.993 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.175 2.271 2.538 1.00 0.17 C ATOM 632 CD2 LEU A 44 4.046 0.686 4.438 1.00 0.14 C ATOM 0 H LEU A 44 8.474 2.567 4.080 1.00 0.16 H new ATOM 0 HA LEU A 44 6.316 3.832 2.843 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.548 1.417 3.596 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.279 1.958 5.241 1.00 0.13 H new ATOM 0 HG LEU A 44 4.050 2.811 4.601 1.00 0.15 H new ATOM 0 HD11 LEU A 44 3.097 2.175 2.412 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.489 3.270 2.234 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.680 1.528 1.920 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.969 0.618 4.283 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.546 -0.088 3.856 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.270 0.547 5.496 1.00 0.14 H new ATOM 644 N GLN A 45 6.818 4.743 5.960 1.00 0.14 N ATOM 645 CA GLN A 45 6.400 5.681 7.002 1.00 0.14 C ATOM 646 C GLN A 45 6.515 7.130 6.552 1.00 0.17 C ATOM 647 O GLN A 45 5.790 7.991 7.048 1.00 0.27 O ATOM 648 CB GLN A 45 7.207 5.457 8.281 1.00 0.16 C ATOM 649 CG GLN A 45 6.544 4.482 9.237 1.00 0.22 C ATOM 650 CD GLN A 45 5.527 5.155 10.138 1.00 0.36 C ATOM 651 OE1 GLN A 45 4.289 5.238 9.682 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.857 5.607 11.233 1.00 0.44 N flip ATOM 0 H GLN A 45 7.663 4.217 6.182 1.00 0.14 H new ATOM 0 HA GLN A 45 5.347 5.486 7.205 1.00 0.14 H new ATOM 0 HB2 GLN A 45 8.197 5.084 8.019 1.00 0.16 H new ATOM 0 HB3 GLN A 45 7.350 6.412 8.786 1.00 0.16 H new ATOM 0 HG2 GLN A 45 6.053 3.694 8.665 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.307 4.003 9.850 1.00 0.22 H new ATOM 0 HE21 GLN A 45 6.823 5.523 11.549 1.00 0.44 H new ATOM 0 HE22 GLN A 45 5.165 6.066 11.825 1.00 0.44 H new ATOM 661 N LYS A 46 7.413 7.399 5.616 1.00 0.14 N ATOM 662 CA LYS A 46 7.567 8.749 5.092 1.00 0.17 C ATOM 663 C LYS A 46 6.470 9.038 4.082 1.00 0.18 C ATOM 664 O LYS A 46 5.848 10.098 4.106 1.00 0.21 O ATOM 665 CB LYS A 46 8.932 8.926 4.419 1.00 0.22 C ATOM 666 CG LYS A 46 10.119 8.685 5.335 1.00 0.27 C ATOM 667 CD LYS A 46 11.430 8.786 4.570 1.00 0.39 C ATOM 668 CE LYS A 46 12.619 8.465 5.455 1.00 0.49 C ATOM 669 NZ LYS A 46 13.897 8.467 4.696 1.00 1.31 N ATOM 0 H LYS A 46 8.041 6.708 5.206 1.00 0.14 H new ATOM 0 HA LYS A 46 7.496 9.446 5.927 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.997 8.243 3.572 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.997 9.937 4.018 1.00 0.22 H new ATOM 0 HG2 LYS A 46 10.110 9.413 6.146 1.00 0.27 H new ATOM 0 HG3 LYS A 46 10.036 7.699 5.792 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.411 8.101 3.722 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.539 9.792 4.164 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.676 9.194 6.263 1.00 0.49 H new ATOM 0 HE3 LYS A 46 12.474 7.488 5.917 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 14.683 8.243 5.339 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 13.853 7.753 3.941 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 14.050 9.406 4.276 1.00 1.31 H new ATOM 683 N TRP A 47 6.238 8.084 3.195 1.00 0.16 N ATOM 684 CA TRP A 47 5.244 8.245 2.146 1.00 0.19 C ATOM 685 C TRP A 47 3.833 8.300 2.716 1.00 0.19 C ATOM 686 O TRP A 47 3.042 9.152 2.316 1.00 0.22 O ATOM 687 CB TRP A 47 5.393 7.130 1.107 1.00 0.20 C ATOM 688 CG TRP A 47 6.765 7.117 0.505 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.618 6.054 0.394 1.00 0.18 C ATOM 690 CD2 TRP A 47 7.462 8.246 -0.038 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.797 6.459 -0.182 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.724 7.796 -0.452 1.00 0.32 C ATOM 693 CE3 TRP A 47 7.139 9.596 -0.215 1.00 0.41 C ATOM 694 CZ2 TRP A 47 9.665 8.642 -1.026 1.00 0.43 C ATOM 695 CZ3 TRP A 47 8.075 10.434 -0.787 1.00 0.52 C ATOM 696 CH2 TRP A 47 9.324 9.954 -1.184 1.00 0.52 C ATOM 0 H TRP A 47 6.726 7.188 3.181 1.00 0.16 H new ATOM 0 HA TRP A 47 5.417 9.200 1.650 1.00 0.19 H new ATOM 0 HB2 TRP A 47 5.191 6.166 1.575 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.651 7.264 0.320 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.397 5.046 0.712 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.598 5.858 -0.377 1.00 0.24 H new ATOM 0 HE3 TRP A 47 6.175 9.975 0.090 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 10.632 8.274 -1.336 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 7.837 11.478 -0.930 1.00 0.52 H new ATOM 0 HH2 TRP A 47 10.036 10.635 -1.626 1.00 0.52 H new ATOM 707 N SER A 48 3.521 7.426 3.667 1.00 0.17 N ATOM 708 CA SER A 48 2.217 7.453 4.303 1.00 0.19 C ATOM 709 C SER A 48 2.067 8.725 5.129 1.00 0.20 C ATOM 710 O SER A 48 0.962 9.232 5.314 1.00 0.28 O ATOM 711 CB SER A 48 1.999 6.204 5.167 1.00 0.23 C ATOM 712 OG SER A 48 2.870 6.154 6.289 1.00 0.82 O ATOM 0 H SER A 48 4.149 6.699 4.009 1.00 0.17 H new ATOM 0 HA SER A 48 1.451 7.451 3.527 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.966 6.183 5.513 1.00 0.23 H new ATOM 0 HB3 SER A 48 2.149 5.314 4.556 1.00 0.23 H new ATOM 0 HG SER A 48 3.789 6.003 5.983 1.00 0.82 H new ATOM 718 N GLN A 49 3.196 9.248 5.603 1.00 0.17 N ATOM 719 CA GLN A 49 3.205 10.510 6.326 1.00 0.17 C ATOM 720 C GLN A 49 2.844 11.642 5.381 1.00 0.18 C ATOM 721 O GLN A 49 1.937 12.420 5.650 1.00 0.21 O ATOM 722 CB GLN A 49 4.584 10.789 6.925 1.00 0.19 C ATOM 723 CG GLN A 49 4.542 11.756 8.095 1.00 0.23 C ATOM 724 CD GLN A 49 5.921 12.179 8.549 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.540 11.527 9.388 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.406 13.285 8.010 1.00 0.45 N ATOM 0 H GLN A 49 4.114 8.815 5.498 1.00 0.17 H new ATOM 0 HA GLN A 49 2.476 10.443 7.133 1.00 0.17 H new ATOM 0 HB2 GLN A 49 5.027 9.849 7.254 1.00 0.19 H new ATOM 0 HB3 GLN A 49 5.235 11.194 6.150 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.970 12.639 7.811 1.00 0.23 H new ATOM 0 HG3 GLN A 49 4.016 11.290 8.928 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.860 13.797 7.317 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.326 13.626 8.287 1.00 0.45 H new ATOM 735 N ARG A 50 3.565 11.715 4.267 1.00 0.16 N ATOM 736 CA ARG A 50 3.357 12.766 3.279 1.00 0.16 C ATOM 737 C ARG A 50 1.948 12.723 2.705 1.00 0.14 C ATOM 738 O ARG A 50 1.321 13.763 2.515 1.00 0.15 O ATOM 739 CB ARG A 50 4.367 12.649 2.141 1.00 0.15 C ATOM 740 CG ARG A 50 5.800 12.910 2.548 1.00 0.19 C ATOM 741 CD ARG A 50 6.712 12.832 1.342 1.00 0.20 C ATOM 742 NE ARG A 50 8.092 13.196 1.653 1.00 0.27 N ATOM 743 CZ ARG A 50 8.984 13.564 0.733 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.620 13.681 -0.537 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.236 13.832 1.084 1.00 0.42 N ATOM 0 H ARG A 50 4.303 11.054 4.025 1.00 0.16 H new ATOM 0 HA ARG A 50 3.497 13.718 3.792 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.300 11.649 1.713 1.00 0.15 H new ATOM 0 HB3 ARG A 50 4.092 13.351 1.354 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.880 13.894 3.010 1.00 0.19 H new ATOM 0 HG3 ARG A 50 6.111 12.180 3.296 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.690 11.819 0.940 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.333 13.493 0.562 1.00 0.20 H new ATOM 0 HE ARG A 50 8.390 13.167 2.628 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.656 13.489 -0.811 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.304 13.963 -1.240 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.519 13.757 2.061 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.915 14.113 0.377 1.00 0.42 H new ATOM 759 N ILE A 51 1.464 11.522 2.413 1.00 0.13 N ATOM 760 CA ILE A 51 0.107 11.342 1.911 1.00 0.13 C ATOM 761 C ILE A 51 -0.918 11.860 2.922 1.00 0.16 C ATOM 762 O ILE A 51 -1.904 12.501 2.553 1.00 0.20 O ATOM 763 CB ILE A 51 -0.173 9.855 1.585 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.682 9.404 0.397 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.649 9.627 1.293 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.539 7.931 0.069 1.00 0.13 C ATOM 0 H ILE A 51 1.993 10.656 2.516 1.00 0.13 H new ATOM 0 HA ILE A 51 0.014 11.919 0.991 1.00 0.13 H new ATOM 0 HB ILE A 51 0.093 9.259 2.458 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.409 9.991 -0.480 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.729 9.620 0.611 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.817 8.574 1.067 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.240 9.910 2.164 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -1.949 10.233 0.438 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.173 7.685 -0.782 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.841 7.335 0.931 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.500 7.712 -0.177 1.00 0.13 H new ATOM 778 N ALA A 52 -0.666 11.588 4.194 1.00 0.16 N ATOM 779 CA ALA A 52 -1.539 12.033 5.270 1.00 0.20 C ATOM 780 C ALA A 52 -1.411 13.538 5.527 1.00 0.22 C ATOM 781 O ALA A 52 -2.406 14.218 5.794 1.00 0.27 O ATOM 782 CB ALA A 52 -1.221 11.252 6.537 1.00 0.21 C ATOM 0 H ALA A 52 0.145 11.055 4.508 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.569 11.844 4.969 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -1.875 11.585 7.343 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.378 10.188 6.358 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.182 11.423 6.818 1.00 0.21 H new ATOM 788 N SER A 53 -0.188 14.054 5.449 1.00 0.22 N ATOM 789 CA SER A 53 0.076 15.453 5.768 1.00 0.26 C ATOM 790 C SER A 53 -0.297 16.378 4.613 1.00 0.28 C ATOM 791 O SER A 53 -0.657 17.538 4.827 1.00 0.35 O ATOM 792 CB SER A 53 1.550 15.639 6.130 1.00 0.28 C ATOM 793 OG SER A 53 2.394 15.221 5.069 1.00 0.26 O ATOM 0 H SER A 53 0.636 13.524 5.167 1.00 0.22 H new ATOM 0 HA SER A 53 -0.547 15.720 6.622 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.742 16.687 6.360 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.782 15.068 7.029 1.00 0.28 H new ATOM 0 HG SER A 53 1.848 14.859 4.340 1.00 0.26 H new ATOM 799 N GLY A 54 -0.207 15.869 3.392 1.00 0.25 N ATOM 800 CA GLY A 54 -0.553 16.666 2.234 1.00 0.28 C ATOM 801 C GLY A 54 0.656 17.059 1.405 1.00 0.26 C ATOM 802 O GLY A 54 0.530 17.805 0.433 1.00 0.30 O ATOM 0 H GLY A 54 0.099 14.919 3.184 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.249 16.107 1.609 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.071 17.567 2.561 1.00 0.28 H new ATOM 806 N GLU A 55 1.831 16.562 1.785 1.00 0.23 N ATOM 807 CA GLU A 55 3.051 16.831 1.026 1.00 0.23 C ATOM 808 C GLU A 55 2.926 16.264 -0.385 1.00 0.20 C ATOM 809 O GLU A 55 3.231 16.937 -1.370 1.00 0.24 O ATOM 810 CB GLU A 55 4.270 16.241 1.735 1.00 0.24 C ATOM 811 CG GLU A 55 4.569 16.900 3.071 1.00 0.42 C ATOM 812 CD GLU A 55 5.773 16.300 3.765 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.902 16.777 3.525 1.00 0.54 O ATOM 814 OE2 GLU A 55 5.599 15.352 4.556 1.00 0.65 O ATOM 0 H GLU A 55 1.965 15.975 2.608 1.00 0.23 H new ATOM 0 HA GLU A 55 3.187 17.910 0.959 1.00 0.23 H new ATOM 0 HB2 GLU A 55 4.109 15.175 1.892 1.00 0.24 H new ATOM 0 HB3 GLU A 55 5.141 16.339 1.087 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.739 17.965 2.915 1.00 0.42 H new ATOM 0 HG3 GLU A 55 3.698 16.807 3.720 1.00 0.42 H new ATOM 821 N VAL A 56 2.469 15.023 -0.470 1.00 0.17 N ATOM 822 CA VAL A 56 2.129 14.409 -1.745 1.00 0.15 C ATOM 823 C VAL A 56 0.799 13.691 -1.619 1.00 0.15 C ATOM 824 O VAL A 56 0.361 13.375 -0.513 1.00 0.19 O ATOM 825 CB VAL A 56 3.194 13.402 -2.245 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.441 14.122 -2.726 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.555 12.395 -1.168 1.00 0.15 C ATOM 0 H VAL A 56 2.324 14.417 0.337 1.00 0.17 H new ATOM 0 HA VAL A 56 2.078 15.216 -2.476 1.00 0.15 H new ATOM 0 HB VAL A 56 2.758 12.861 -3.085 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.172 13.391 -3.072 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.181 14.791 -3.546 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.866 14.701 -1.906 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.305 11.704 -1.553 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.956 12.919 -0.300 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.664 11.839 -0.877 1.00 0.15 H new ATOM 837 N SER A 57 0.150 13.457 -2.741 1.00 0.13 N ATOM 838 CA SER A 57 -1.105 12.740 -2.742 1.00 0.15 C ATOM 839 C SER A 57 -0.845 11.259 -2.967 1.00 0.15 C ATOM 840 O SER A 57 0.241 10.890 -3.426 1.00 0.18 O ATOM 841 CB SER A 57 -2.029 13.310 -3.817 1.00 0.22 C ATOM 842 OG SER A 57 -2.178 14.711 -3.653 1.00 0.97 O ATOM 0 H SER A 57 0.472 13.753 -3.662 1.00 0.13 H new ATOM 0 HA SER A 57 -1.598 12.859 -1.777 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.623 13.095 -4.805 1.00 0.22 H new ATOM 0 HB3 SER A 57 -3.004 12.826 -3.761 1.00 0.22 H new ATOM 0 HG SER A 57 -2.771 15.061 -4.350 1.00 0.97 H new ATOM 848 N PHE A 58 -1.816 10.419 -2.637 1.00 0.16 N ATOM 849 CA PHE A 58 -1.636 8.976 -2.722 1.00 0.16 C ATOM 850 C PHE A 58 -1.174 8.578 -4.120 1.00 0.18 C ATOM 851 O PHE A 58 -0.196 7.843 -4.275 1.00 0.19 O ATOM 852 CB PHE A 58 -2.936 8.254 -2.369 1.00 0.18 C ATOM 853 CG PHE A 58 -2.719 6.934 -1.686 1.00 0.17 C ATOM 854 CD1 PHE A 58 -2.159 5.867 -2.366 1.00 0.18 C ATOM 855 CD2 PHE A 58 -3.073 6.765 -0.358 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.955 4.657 -1.735 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.874 5.557 0.280 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.314 4.501 -0.411 1.00 0.22 C ATOM 0 H PHE A 58 -2.736 10.711 -2.308 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.869 8.682 -2.005 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.535 8.895 -1.722 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.512 8.093 -3.280 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.878 5.983 -3.402 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.511 7.589 0.186 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.515 3.833 -2.276 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -3.155 5.438 1.316 1.00 0.21 H new ATOM 0 HZ PHE A 58 -2.157 3.554 0.084 1.00 0.22 H new ATOM 868 N GLU A 59 -1.865 9.103 -5.128 1.00 0.20 N ATOM 869 CA GLU A 59 -1.541 8.829 -6.527 1.00 0.22 C ATOM 870 C GLU A 59 -0.094 9.192 -6.860 1.00 0.24 C ATOM 871 O GLU A 59 0.586 8.456 -7.581 1.00 0.31 O ATOM 872 CB GLU A 59 -2.487 9.600 -7.450 1.00 0.27 C ATOM 873 CG GLU A 59 -3.944 9.194 -7.311 1.00 0.36 C ATOM 874 CD GLU A 59 -4.857 9.983 -8.223 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.973 9.622 -9.411 1.00 1.72 O ATOM 876 OE2 GLU A 59 -5.466 10.970 -7.760 1.00 0.96 O ATOM 0 H GLU A 59 -2.661 9.727 -5.001 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.664 7.757 -6.684 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -2.395 10.666 -7.241 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -2.174 9.449 -8.483 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -4.044 8.132 -7.533 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -4.259 9.334 -6.277 1.00 0.36 H new ATOM 883 N GLU A 60 0.379 10.316 -6.326 1.00 0.23 N ATOM 884 CA GLU A 60 1.735 10.782 -6.603 1.00 0.24 C ATOM 885 C GLU A 60 2.761 9.798 -6.070 1.00 0.23 C ATOM 886 O GLU A 60 3.672 9.383 -6.785 1.00 0.26 O ATOM 887 CB GLU A 60 1.974 12.157 -5.977 1.00 0.25 C ATOM 888 CG GLU A 60 1.030 13.228 -6.490 1.00 0.29 C ATOM 889 CD GLU A 60 1.250 13.534 -7.955 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.074 14.424 -8.255 1.00 1.24 O ATOM 891 OE2 GLU A 60 0.608 12.889 -8.811 1.00 2.09 O ATOM 0 H GLU A 60 -0.155 10.919 -5.701 1.00 0.23 H new ATOM 0 HA GLU A 60 1.845 10.860 -7.685 1.00 0.24 H new ATOM 0 HB2 GLU A 60 1.868 12.078 -4.895 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.001 12.464 -6.175 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.000 12.904 -6.340 1.00 0.29 H new ATOM 0 HG3 GLU A 60 1.166 14.139 -5.907 1.00 0.29 H new ATOM 898 N ALA A 61 2.601 9.422 -4.813 1.00 0.22 N ATOM 899 CA ALA A 61 3.536 8.521 -4.167 1.00 0.23 C ATOM 900 C ALA A 61 3.443 7.119 -4.755 1.00 0.22 C ATOM 901 O ALA A 61 4.454 6.515 -5.093 1.00 0.26 O ATOM 902 CB ALA A 61 3.286 8.491 -2.667 1.00 0.24 C ATOM 0 H ALA A 61 1.830 9.728 -4.219 1.00 0.22 H new ATOM 0 HA ALA A 61 4.545 8.891 -4.347 1.00 0.23 H new ATOM 0 HB1 ALA A 61 3.994 7.811 -2.194 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.415 9.493 -2.257 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.270 8.148 -2.474 1.00 0.24 H new ATOM 908 N ALA A 62 2.224 6.625 -4.912 1.00 0.20 N ATOM 909 CA ALA A 62 1.992 5.246 -5.328 1.00 0.20 C ATOM 910 C ALA A 62 2.601 4.933 -6.696 1.00 0.21 C ATOM 911 O ALA A 62 3.249 3.907 -6.865 1.00 0.24 O ATOM 912 CB ALA A 62 0.506 4.953 -5.338 1.00 0.20 C ATOM 0 H ALA A 62 1.371 7.163 -4.756 1.00 0.20 H new ATOM 0 HA ALA A 62 2.491 4.602 -4.604 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.341 3.922 -5.650 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.100 5.099 -4.337 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.007 5.627 -6.034 1.00 0.20 H new ATOM 918 N SER A 63 2.388 5.813 -7.662 1.00 0.21 N ATOM 919 CA SER A 63 2.894 5.621 -9.020 1.00 0.23 C ATOM 920 C SER A 63 4.416 5.456 -9.068 1.00 0.24 C ATOM 921 O SER A 63 4.955 4.923 -10.037 1.00 0.27 O ATOM 922 CB SER A 63 2.468 6.802 -9.892 1.00 0.26 C ATOM 923 OG SER A 63 1.061 6.987 -9.840 1.00 1.00 O ATOM 0 H SER A 63 1.863 6.678 -7.532 1.00 0.21 H new ATOM 0 HA SER A 63 2.465 4.694 -9.401 1.00 0.23 H new ATOM 0 HB2 SER A 63 2.971 7.708 -9.555 1.00 0.26 H new ATOM 0 HB3 SER A 63 2.779 6.629 -10.922 1.00 0.26 H new ATOM 0 HG SER A 63 0.823 7.454 -9.012 1.00 1.00 H new ATOM 929 N GLN A 64 5.104 5.905 -8.028 1.00 0.24 N ATOM 930 CA GLN A 64 6.555 5.828 -7.993 1.00 0.27 C ATOM 931 C GLN A 64 7.015 4.816 -6.957 1.00 0.26 C ATOM 932 O GLN A 64 7.887 3.987 -7.211 1.00 0.29 O ATOM 933 CB GLN A 64 7.127 7.200 -7.647 1.00 0.31 C ATOM 934 CG GLN A 64 6.520 8.317 -8.472 1.00 0.35 C ATOM 935 CD GLN A 64 6.975 9.696 -8.039 1.00 0.42 C ATOM 936 OE1 GLN A 64 7.995 10.207 -8.502 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.200 10.321 -7.166 1.00 0.35 N ATOM 0 H GLN A 64 4.681 6.325 -7.200 1.00 0.24 H new ATOM 0 HA GLN A 64 6.911 5.511 -8.973 1.00 0.27 H new ATOM 0 HB2 GLN A 64 6.957 7.403 -6.590 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.206 7.187 -7.800 1.00 0.31 H new ATOM 0 HG2 GLN A 64 6.780 8.168 -9.520 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.434 8.262 -8.403 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.363 9.862 -6.807 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.440 11.262 -6.853 1.00 0.35 H new ATOM 946 N ARG A 65 6.419 4.910 -5.784 1.00 0.26 N ATOM 947 CA ARG A 65 6.865 4.156 -4.622 1.00 0.28 C ATOM 948 C ARG A 65 6.189 2.800 -4.493 1.00 0.27 C ATOM 949 O ARG A 65 6.821 1.838 -4.076 1.00 0.32 O ATOM 950 CB ARG A 65 6.609 4.978 -3.369 1.00 0.33 C ATOM 951 CG ARG A 65 7.194 6.376 -3.455 1.00 0.37 C ATOM 952 CD ARG A 65 8.661 6.332 -3.853 1.00 0.43 C ATOM 953 NE ARG A 65 9.276 7.652 -3.852 1.00 0.58 N ATOM 954 CZ ARG A 65 10.061 8.121 -4.820 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.312 7.392 -5.898 1.00 0.59 N ATOM 956 NH2 ARG A 65 10.600 9.327 -4.707 1.00 0.86 N ATOM 0 H ARG A 65 5.613 5.509 -5.607 1.00 0.26 H new ATOM 0 HA ARG A 65 7.930 3.962 -4.750 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.535 5.048 -3.199 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.035 4.463 -2.508 1.00 0.33 H new ATOM 0 HG2 ARG A 65 6.634 6.964 -4.182 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.090 6.877 -2.493 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.202 5.682 -3.166 1.00 0.43 H new ATOM 0 HD3 ARG A 65 8.752 5.892 -4.846 1.00 0.43 H new ATOM 0 HE ARG A 65 9.093 8.260 -3.054 1.00 0.58 H new ATOM 0 HH11 ARG A 65 9.902 6.463 -5.992 1.00 0.59 H new ATOM 0 HH12 ARG A 65 10.915 7.760 -6.634 1.00 0.59 H new ATOM 0 HH21 ARG A 65 10.413 9.894 -3.880 1.00 0.86 H new ATOM 0 HH22 ARG A 65 11.202 9.688 -5.447 1.00 0.86 H new ATOM 970 N SER A 66 4.912 2.733 -4.824 1.00 0.25 N ATOM 971 CA SER A 66 4.160 1.492 -4.686 1.00 0.25 C ATOM 972 C SER A 66 4.709 0.417 -5.613 1.00 0.23 C ATOM 973 O SER A 66 4.650 0.538 -6.836 1.00 0.24 O ATOM 974 CB SER A 66 2.671 1.710 -4.968 1.00 0.24 C ATOM 975 OG SER A 66 1.932 0.510 -4.811 1.00 0.82 O ATOM 0 H SER A 66 4.373 3.518 -5.189 1.00 0.25 H new ATOM 0 HA SER A 66 4.271 1.158 -3.654 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.279 2.471 -4.293 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.543 2.087 -5.983 1.00 0.24 H new ATOM 0 HG SER A 66 0.985 0.682 -4.996 1.00 0.82 H new ATOM 981 N ASP A 67 5.230 -0.638 -5.012 1.00 0.25 N ATOM 982 CA ASP A 67 5.787 -1.753 -5.755 1.00 0.28 C ATOM 983 C ASP A 67 4.696 -2.708 -6.203 1.00 0.31 C ATOM 984 O ASP A 67 4.975 -3.811 -6.670 1.00 0.48 O ATOM 985 CB ASP A 67 6.827 -2.487 -4.916 1.00 0.39 C ATOM 986 CG ASP A 67 7.899 -1.562 -4.378 1.00 1.59 C ATOM 987 OD1 ASP A 67 8.370 -0.693 -5.131 1.00 1.91 O ATOM 988 OD2 ASP A 67 8.255 -1.689 -3.193 1.00 2.28 O ATOM 0 H ASP A 67 5.279 -0.745 -3.999 1.00 0.25 H new ATOM 0 HA ASP A 67 6.275 -1.356 -6.645 1.00 0.28 H new ATOM 0 HB2 ASP A 67 6.331 -2.985 -4.083 1.00 0.39 H new ATOM 0 HB3 ASP A 67 7.293 -3.265 -5.521 1.00 0.39 H new ATOM 993 N CYS A 68 3.453 -2.286 -6.044 1.00 0.24 N ATOM 994 CA CYS A 68 2.322 -3.026 -6.575 1.00 0.26 C ATOM 995 C CYS A 68 1.963 -2.495 -7.955 1.00 0.27 C ATOM 996 O CYS A 68 2.405 -1.412 -8.335 1.00 0.38 O ATOM 997 CB CYS A 68 1.117 -2.915 -5.639 1.00 0.29 C ATOM 998 SG CYS A 68 -0.335 -3.853 -6.169 1.00 1.52 S ATOM 0 H CYS A 68 3.201 -1.430 -5.549 1.00 0.24 H new ATOM 0 HA CYS A 68 2.598 -4.077 -6.655 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.412 -3.256 -4.647 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.841 -1.865 -5.546 1.00 0.29 H new ATOM 0 HG CYS A 68 -1.374 -3.463 -5.493 1.00 1.52 H new ATOM 1004 N GLY A 69 1.144 -3.242 -8.678 1.00 0.26 N ATOM 1005 CA GLY A 69 0.761 -2.866 -10.032 1.00 0.25 C ATOM 1006 C GLY A 69 0.135 -1.485 -10.118 1.00 0.22 C ATOM 1007 O GLY A 69 0.228 -0.821 -11.152 1.00 0.25 O ATOM 0 H GLY A 69 0.730 -4.115 -8.350 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.642 -2.899 -10.673 1.00 0.25 H new ATOM 0 HA3 GLY A 69 0.056 -3.601 -10.420 1.00 0.25 H new ATOM 1011 N SER A 70 -0.483 -1.034 -9.029 1.00 0.21 N ATOM 1012 CA SER A 70 -1.125 0.272 -9.005 1.00 0.24 C ATOM 1013 C SER A 70 -0.141 1.423 -9.238 1.00 0.22 C ATOM 1014 O SER A 70 -0.571 2.561 -9.393 1.00 0.25 O ATOM 1015 CB SER A 70 -1.860 0.487 -7.687 1.00 0.31 C ATOM 1016 OG SER A 70 -1.129 -0.063 -6.603 1.00 0.32 O ATOM 0 H SER A 70 -0.551 -1.555 -8.155 1.00 0.21 H new ATOM 0 HA SER A 70 -1.837 0.278 -9.830 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.015 1.553 -7.522 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.846 0.026 -7.737 1.00 0.31 H new ATOM 0 HG SER A 70 -1.533 0.224 -5.757 1.00 0.32 H new ATOM 1022 N TYR A 71 1.166 1.155 -9.265 1.00 0.20 N ATOM 1023 CA TYR A 71 2.123 2.204 -9.612 1.00 0.20 C ATOM 1024 C TYR A 71 1.806 2.722 -11.016 1.00 0.22 C ATOM 1025 O TYR A 71 2.029 3.888 -11.331 1.00 0.29 O ATOM 1026 CB TYR A 71 3.584 1.714 -9.555 1.00 0.21 C ATOM 1027 CG TYR A 71 4.020 0.857 -10.730 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.619 -0.468 -10.844 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.847 1.377 -11.718 1.00 0.35 C ATOM 1030 CE1 TYR A 71 4.028 -1.250 -11.905 1.00 0.36 C ATOM 1031 CE2 TYR A 71 5.258 0.601 -12.786 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.847 -0.711 -12.873 1.00 0.43 C ATOM 1033 OH TYR A 71 5.259 -1.490 -13.929 1.00 0.54 O ATOM 0 H TYR A 71 1.577 0.245 -9.057 1.00 0.20 H new ATOM 0 HA TYR A 71 2.025 3.002 -8.875 1.00 0.20 H new ATOM 0 HB2 TYR A 71 4.240 2.582 -9.495 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.724 1.144 -8.637 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.975 -0.894 -10.089 1.00 0.27 H new ATOM 0 HD2 TYR A 71 5.174 2.404 -11.651 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.708 -2.279 -11.976 1.00 0.36 H new ATOM 0 HE2 TYR A 71 5.898 1.021 -13.548 1.00 0.44 H new ATOM 0 HH TYR A 71 5.830 -0.960 -14.523 1.00 0.54 H new ATOM 1043 N ALA A 72 1.256 1.842 -11.845 1.00 0.24 N ATOM 1044 CA ALA A 72 0.888 2.194 -13.205 1.00 0.30 C ATOM 1045 C ALA A 72 -0.583 2.587 -13.290 1.00 0.36 C ATOM 1046 O ALA A 72 -1.129 2.751 -14.379 1.00 0.49 O ATOM 1047 CB ALA A 72 1.179 1.030 -14.140 1.00 0.38 C ATOM 0 H ALA A 72 1.055 0.874 -11.594 1.00 0.24 H new ATOM 0 HA ALA A 72 1.484 3.054 -13.510 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.900 1.302 -15.158 1.00 0.38 H new ATOM 0 HB2 ALA A 72 2.242 0.793 -14.106 1.00 0.38 H new ATOM 0 HB3 ALA A 72 0.603 0.159 -13.827 1.00 0.38 H new ATOM 1053 N SER A 73 -1.231 2.721 -12.138 1.00 0.32 N ATOM 1054 CA SER A 73 -2.651 3.047 -12.106 1.00 0.44 C ATOM 1055 C SER A 73 -2.920 4.290 -11.257 1.00 0.49 C ATOM 1056 O SER A 73 -3.945 4.943 -11.414 1.00 0.71 O ATOM 1057 CB SER A 73 -3.441 1.863 -11.546 1.00 0.47 C ATOM 1058 OG SER A 73 -3.010 0.646 -12.130 1.00 0.62 O ATOM 0 H SER A 73 -0.799 2.610 -11.221 1.00 0.32 H new ATOM 0 HA SER A 73 -2.971 3.257 -13.127 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.316 1.816 -10.464 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.504 2.007 -11.738 1.00 0.47 H new ATOM 0 HG SER A 73 -3.527 -0.098 -11.756 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.991 4.618 -10.370 1.00 0.41 N ATOM 1065 CA GLY A 74 -2.182 5.750 -9.485 1.00 0.54 C ATOM 1066 C GLY A 74 -2.413 5.325 -8.046 1.00 0.45 C ATOM 1067 O GLY A 74 -2.879 6.111 -7.224 1.00 0.49 O ATOM 0 H GLY A 74 -1.109 4.121 -10.247 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -1.307 6.398 -9.534 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -3.033 6.337 -9.829 1.00 0.54 H new ATOM 1071 N GLY A 75 -2.090 4.074 -7.739 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.226 3.585 -6.380 1.00 0.32 C ATOM 1073 C GLY A 75 -3.586 2.990 -6.099 1.00 0.20 C ATOM 1074 O GLY A 75 -3.768 2.282 -5.109 1.00 0.21 O ATOM 0 H GLY A 75 -1.736 3.389 -8.407 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.461 2.832 -6.193 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -2.044 4.405 -5.685 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.526 3.225 -6.992 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.906 2.868 -6.741 1.00 0.39 C ATOM 1080 C ASP A 76 -6.317 1.659 -7.547 1.00 0.32 C ATOM 1081 O ASP A 76 -5.871 1.457 -8.679 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.848 4.035 -7.039 1.00 0.63 C ATOM 1083 CG ASP A 76 -6.833 4.469 -8.490 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -5.787 4.984 -8.950 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -7.851 4.285 -9.185 1.00 0.80 O ATOM 0 H ASP A 76 -4.359 3.662 -7.898 1.00 0.35 H new ATOM 0 HA ASP A 76 -5.983 2.622 -5.682 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -7.864 3.751 -6.764 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.573 4.883 -6.412 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.158 0.852 -6.939 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.708 -0.318 -7.583 1.00 0.30 C ATOM 1092 C LEU A 77 -9.159 -0.065 -7.953 1.00 0.32 C ATOM 1093 O LEU A 77 -9.719 0.977 -7.609 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.584 -1.525 -6.653 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.510 -2.556 -7.020 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.269 -1.881 -7.596 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.147 -3.382 -5.793 1.00 0.94 C ATOM 0 H LEU A 77 -7.480 0.990 -5.981 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.152 -0.529 -8.496 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.380 -1.162 -5.646 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.548 -2.032 -6.620 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.914 -3.215 -7.788 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.526 -2.638 -7.846 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.540 -1.327 -8.495 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.853 -1.194 -6.859 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.384 -4.113 -6.059 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.764 -2.725 -5.012 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.034 -3.900 -5.428 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.752 -1.010 -8.649 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.128 -0.871 -9.074 1.00 0.39 C ATOM 1111 C GLY A 78 -12.100 -1.436 -8.061 1.00 0.34 C ATOM 1112 O GLY A 78 -11.882 -1.327 -6.854 1.00 0.44 O ATOM 0 H GLY A 78 -9.304 -1.882 -8.932 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.350 0.183 -9.239 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.265 -1.379 -10.029 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.174 -2.035 -8.550 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.167 -2.639 -7.678 1.00 0.46 C ATOM 1118 C PHE A 79 -13.801 -4.086 -7.369 1.00 0.45 C ATOM 1119 O PHE A 79 -13.619 -4.902 -8.274 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.555 -2.568 -8.317 1.00 0.61 C ATOM 1121 CG PHE A 79 -16.041 -1.164 -8.534 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -16.579 -0.435 -7.487 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -15.955 -0.571 -9.784 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -17.025 0.858 -7.681 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -16.398 0.722 -9.985 1.00 2.78 C ATOM 1126 CZ PHE A 79 -16.933 1.437 -8.932 1.00 3.85 C ATOM 0 H PHE A 79 -13.380 -2.116 -9.546 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.186 -2.080 -6.743 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.533 -3.089 -9.274 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.266 -3.097 -7.683 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -16.651 -0.883 -6.507 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -15.537 -1.126 -10.610 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -17.445 1.415 -6.856 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -16.326 1.173 -10.964 1.00 2.78 H new ATOM 0 HZ PHE A 79 -17.279 2.448 -9.086 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.692 -4.393 -6.087 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.339 -5.729 -5.632 1.00 0.45 C ATOM 1138 C PHE A 80 -14.197 -6.126 -4.442 1.00 0.46 C ATOM 1139 O PHE A 80 -14.582 -5.282 -3.642 1.00 0.55 O ATOM 1140 CB PHE A 80 -11.850 -5.796 -5.263 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.323 -4.576 -4.549 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.736 -4.290 -3.259 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.424 -3.712 -5.160 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.269 -3.171 -2.600 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -9.960 -2.592 -4.493 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.319 -2.337 -3.254 1.00 1.31 C ATOM 0 H PHE A 80 -13.845 -3.724 -5.332 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.525 -6.431 -6.445 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -11.685 -6.669 -4.632 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.270 -5.946 -6.174 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.432 -4.950 -2.763 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.084 -3.916 -6.165 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.618 -2.932 -1.606 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.290 -1.914 -5.000 1.00 1.28 H new ATOM 0 HZ PHE A 80 -9.892 -1.493 -2.732 1.00 1.31 H new ATOM 1156 N SER A 81 -14.516 -7.401 -4.337 1.00 0.50 N ATOM 1157 CA SER A 81 -15.334 -7.881 -3.238 1.00 0.55 C ATOM 1158 C SER A 81 -14.502 -7.961 -1.961 1.00 0.52 C ATOM 1159 O SER A 81 -13.342 -8.383 -1.987 1.00 0.54 O ATOM 1160 CB SER A 81 -15.930 -9.242 -3.586 1.00 0.69 C ATOM 1161 OG SER A 81 -16.678 -9.175 -4.794 1.00 1.17 O ATOM 0 H SER A 81 -14.223 -8.122 -4.996 1.00 0.50 H new ATOM 0 HA SER A 81 -16.153 -7.181 -3.069 1.00 0.55 H new ATOM 0 HB2 SER A 81 -15.132 -9.977 -3.688 1.00 0.69 H new ATOM 0 HB3 SER A 81 -16.573 -9.580 -2.774 1.00 0.69 H new ATOM 0 HG SER A 81 -17.584 -9.515 -4.637 1.00 1.17 H new ATOM 1167 N SER A 82 -15.094 -7.533 -0.854 1.00 0.59 N ATOM 1168 CA SER A 82 -14.396 -7.465 0.419 1.00 0.63 C ATOM 1169 C SER A 82 -13.978 -8.855 0.899 1.00 0.59 C ATOM 1170 O SER A 82 -14.817 -9.728 1.125 1.00 0.63 O ATOM 1171 CB SER A 82 -15.290 -6.781 1.453 1.00 0.77 C ATOM 1172 OG SER A 82 -15.756 -5.532 0.958 1.00 1.19 O ATOM 0 H SER A 82 -16.066 -7.225 -0.815 1.00 0.59 H new ATOM 0 HA SER A 82 -13.486 -6.880 0.287 1.00 0.63 H new ATOM 0 HB2 SER A 82 -16.137 -7.424 1.692 1.00 0.77 H new ATOM 0 HB3 SER A 82 -14.735 -6.628 2.379 1.00 0.77 H new ATOM 0 HG SER A 82 -16.328 -5.107 1.630 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.676 -9.051 1.051 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.160 -10.336 1.474 1.00 0.62 C ATOM 1180 C GLY A 83 -11.326 -11.005 0.400 1.00 0.64 C ATOM 1181 O GLY A 83 -10.717 -12.048 0.638 1.00 0.79 O ATOM 0 H GLY A 83 -11.965 -8.338 0.888 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.555 -10.204 2.371 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -12.991 -10.988 1.743 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.279 -10.395 -0.778 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.520 -10.950 -1.891 1.00 0.62 C ATOM 1187 C GLU A 84 -9.213 -10.175 -2.095 1.00 0.58 C ATOM 1188 O GLU A 84 -8.978 -9.584 -3.151 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.369 -10.921 -3.166 1.00 0.73 C ATOM 1190 CG GLU A 84 -10.754 -11.673 -4.334 1.00 1.17 C ATOM 1191 CD GLU A 84 -11.520 -11.464 -5.620 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -11.385 -10.385 -6.232 1.00 1.55 O ATOM 1193 OE2 GLU A 84 -12.262 -12.380 -6.027 1.00 1.43 O ATOM 0 H GLU A 84 -11.756 -9.518 -0.987 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.266 -11.985 -1.661 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -12.348 -11.347 -2.948 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -11.531 -9.884 -3.459 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -9.723 -11.346 -4.471 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -10.723 -12.737 -4.102 1.00 1.17 H new ATOM 1200 N MET A 85 -8.371 -10.162 -1.070 1.00 0.47 N ATOM 1201 CA MET A 85 -7.068 -9.507 -1.152 1.00 0.44 C ATOM 1202 C MET A 85 -6.028 -10.291 -0.364 1.00 0.47 C ATOM 1203 O MET A 85 -5.470 -11.272 -0.852 1.00 0.73 O ATOM 1204 CB MET A 85 -7.135 -8.068 -0.628 1.00 0.39 C ATOM 1205 CG MET A 85 -7.851 -7.102 -1.552 1.00 0.37 C ATOM 1206 SD MET A 85 -7.014 -6.929 -3.139 1.00 0.39 S ATOM 1207 CE MET A 85 -8.103 -5.781 -3.973 1.00 0.39 C ATOM 0 H MET A 85 -8.566 -10.598 -0.169 1.00 0.47 H new ATOM 0 HA MET A 85 -6.778 -9.479 -2.202 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.638 -8.069 0.339 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.120 -7.707 -0.459 1.00 0.39 H new ATOM 0 HG2 MET A 85 -8.871 -7.449 -1.717 1.00 0.37 H new ATOM 0 HG3 MET A 85 -7.920 -6.126 -1.071 1.00 0.37 H new ATOM 0 HE1 MET A 85 -7.904 -5.803 -5.044 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.139 -6.065 -3.791 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.930 -4.774 -3.593 1.00 0.39 H new ATOM 1217 N MET A 86 -5.787 -9.848 0.861 1.00 0.33 N ATOM 1218 CA MET A 86 -4.924 -10.545 1.802 1.00 0.35 C ATOM 1219 C MET A 86 -5.477 -10.328 3.193 1.00 0.40 C ATOM 1220 O MET A 86 -6.095 -9.293 3.438 1.00 0.76 O ATOM 1221 CB MET A 86 -3.477 -10.039 1.758 1.00 0.33 C ATOM 1222 CG MET A 86 -2.754 -10.290 0.446 1.00 0.43 C ATOM 1223 SD MET A 86 -1.039 -9.734 0.494 1.00 1.16 S ATOM 1224 CE MET A 86 -0.482 -10.243 -1.129 1.00 1.39 C ATOM 0 H MET A 86 -6.189 -8.987 1.233 1.00 0.33 H new ATOM 0 HA MET A 86 -4.907 -11.601 1.531 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.475 -8.968 1.958 1.00 0.33 H new ATOM 0 HB3 MET A 86 -2.916 -10.515 2.563 1.00 0.33 H new ATOM 0 HG2 MET A 86 -2.782 -11.355 0.216 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.278 -9.776 -0.360 1.00 0.43 H new ATOM 0 HE1 MET A 86 0.565 -9.969 -1.257 1.00 1.39 H new ATOM 0 HE2 MET A 86 -0.590 -11.323 -1.228 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.082 -9.747 -1.892 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.258 -11.269 4.091 1.00 0.32 N ATOM 1235 CA LYS A 87 -5.822 -11.185 5.436 1.00 0.32 C ATOM 1236 C LYS A 87 -5.491 -9.851 6.130 1.00 0.27 C ATOM 1237 O LYS A 87 -6.405 -9.154 6.571 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.364 -12.377 6.286 1.00 0.37 C ATOM 1239 CG LYS A 87 -5.917 -12.379 7.703 1.00 0.97 C ATOM 1240 CD LYS A 87 -7.438 -12.414 7.710 1.00 1.46 C ATOM 1241 CE LYS A 87 -7.995 -12.420 9.125 1.00 2.00 C ATOM 1242 NZ LYS A 87 -7.591 -13.635 9.878 1.00 2.37 N ATOM 0 H LYS A 87 -4.695 -12.102 3.920 1.00 0.32 H new ATOM 0 HA LYS A 87 -6.907 -11.223 5.335 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -5.664 -13.300 5.789 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.275 -12.379 6.333 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -5.530 -13.242 8.244 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -5.570 -11.491 8.231 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -7.824 -11.549 7.171 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -7.784 -13.301 7.179 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -7.648 -11.533 9.655 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -9.083 -12.363 9.086 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -8.148 -13.702 10.754 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -7.762 -14.478 9.294 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -6.580 -13.577 10.115 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.201 -9.442 6.213 1.00 0.26 N ATOM 1257 CA PRO A 88 -3.824 -8.218 6.929 1.00 0.25 C ATOM 1258 C PRO A 88 -4.116 -6.953 6.123 1.00 0.22 C ATOM 1259 O PRO A 88 -4.327 -5.879 6.685 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.322 -8.388 7.136 1.00 0.27 C ATOM 1261 CG PRO A 88 -1.871 -9.208 5.979 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.019 -10.114 5.623 1.00 0.27 C ATOM 0 HA PRO A 88 -4.388 -8.094 7.854 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -1.814 -7.424 7.160 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.106 -8.885 8.082 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -1.602 -8.573 5.135 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -0.985 -9.788 6.237 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.120 -10.225 4.543 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -2.881 -11.114 6.035 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.131 -7.099 4.804 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.391 -5.991 3.893 1.00 0.17 C ATOM 1272 C PHE A 89 -5.863 -5.622 3.938 1.00 0.18 C ATOM 1273 O PHE A 89 -6.223 -4.480 4.210 1.00 0.17 O ATOM 1274 CB PHE A 89 -3.984 -6.416 2.473 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.262 -5.420 1.373 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.505 -5.370 0.761 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.268 -4.568 0.922 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.756 -4.486 -0.271 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.511 -3.686 -0.117 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.758 -3.644 -0.715 1.00 0.19 C ATOM 0 H PHE A 89 -3.963 -7.989 4.335 1.00 0.19 H new ATOM 0 HA PHE A 89 -3.811 -5.117 4.190 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -2.916 -6.636 2.474 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.501 -7.345 2.232 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.289 -6.032 1.096 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.293 -4.592 1.386 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.733 -4.454 -0.730 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.726 -3.029 -0.461 1.00 0.20 H new ATOM 0 HZ PHE A 89 -4.949 -2.956 -1.525 1.00 0.19 H new ATOM 1290 N GLU A 90 -6.703 -6.617 3.690 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.146 -6.437 3.663 1.00 0.24 C ATOM 1292 C GLU A 90 -8.647 -6.036 5.043 1.00 0.25 C ATOM 1293 O GLU A 90 -9.575 -5.240 5.167 1.00 0.27 O ATOM 1294 CB GLU A 90 -8.808 -7.730 3.188 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.240 -7.565 2.695 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.263 -7.609 3.810 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.341 -8.630 4.517 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -11.987 -6.610 3.987 1.00 1.78 O ATOM 0 H GLU A 90 -6.402 -7.573 3.502 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.406 -5.638 2.968 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.208 -8.156 2.384 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -8.800 -8.449 4.007 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.328 -6.616 2.167 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -10.463 -8.352 1.975 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.005 -6.584 6.073 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.298 -6.219 7.461 1.00 0.29 C ATOM 1307 C ASP A 91 -8.288 -4.705 7.636 1.00 0.25 C ATOM 1308 O ASP A 91 -9.145 -4.141 8.318 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.279 -6.853 8.413 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.512 -6.473 9.864 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.264 -7.187 10.561 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -6.957 -5.450 10.312 1.00 0.54 O ATOM 0 H ASP A 91 -7.273 -7.287 5.973 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.292 -6.596 7.702 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.323 -7.938 8.315 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.275 -6.547 8.119 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.330 -4.051 6.997 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.210 -2.607 7.088 1.00 0.19 C ATOM 1319 C ALA A 92 -8.228 -1.912 6.191 1.00 0.18 C ATOM 1320 O ALA A 92 -8.706 -0.828 6.515 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.803 -2.176 6.720 1.00 0.22 C ATOM 0 H ALA A 92 -6.626 -4.498 6.411 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.414 -2.314 8.118 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.724 -1.091 6.792 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.091 -2.637 7.404 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.582 -2.489 5.700 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.581 -2.552 5.083 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.462 -1.941 4.090 1.00 0.19 C ATOM 1329 C VAL A 93 -10.846 -1.666 4.673 1.00 0.19 C ATOM 1330 O VAL A 93 -11.380 -0.568 4.524 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.618 -2.814 2.826 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.409 -2.070 1.761 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.260 -3.234 2.282 1.00 0.21 C ATOM 0 H VAL A 93 -8.271 -3.495 4.847 1.00 0.18 H new ATOM 0 HA VAL A 93 -8.989 -1.001 3.806 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.166 -3.715 3.103 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.510 -2.699 0.877 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.399 -1.825 2.147 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.886 -1.151 1.495 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.399 -3.848 1.392 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.681 -2.347 2.025 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.726 -3.808 3.039 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.425 -2.653 5.348 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.753 -2.469 5.925 1.00 0.27 C ATOM 1345 C ARG A 94 -12.657 -1.779 7.284 1.00 0.25 C ATOM 1346 O ARG A 94 -13.673 -1.435 7.887 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.518 -3.799 6.057 1.00 0.41 C ATOM 1348 CG ARG A 94 -13.142 -4.637 7.273 1.00 0.59 C ATOM 1349 CD ARG A 94 -11.945 -5.533 7.011 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.529 -6.248 8.217 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.295 -7.563 8.272 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -11.407 -8.316 7.186 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.925 -8.119 9.417 1.00 1.70 N ATOM 0 H ARG A 94 -11.008 -3.570 5.507 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.315 -1.834 5.240 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.586 -3.585 6.098 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.346 -4.391 5.158 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -12.921 -3.977 8.112 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -13.994 -5.250 7.566 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -12.193 -6.251 6.229 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -11.115 -4.932 6.640 1.00 1.03 H new ATOM 0 HE ARG A 94 -11.409 -5.707 9.073 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -11.674 -7.893 6.297 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -11.226 -9.318 7.240 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -10.820 -7.544 10.253 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.746 -9.122 9.462 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.433 -1.562 7.750 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.210 -0.921 9.043 1.00 0.25 C ATOM 1369 C ALA A 95 -11.325 0.593 8.926 1.00 0.26 C ATOM 1370 O ALA A 95 -11.548 1.292 9.916 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.850 -1.308 9.600 1.00 0.26 C ATOM 0 H ALA A 95 -10.580 -1.820 7.254 1.00 0.23 H new ATOM 0 HA ALA A 95 -11.980 -1.268 9.731 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.700 -0.822 10.564 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.804 -2.389 9.728 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -9.070 -0.991 8.908 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.172 1.093 7.712 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.254 2.521 7.451 1.00 0.19 C ATOM 1379 C LEU A 96 -12.355 2.814 6.452 1.00 0.21 C ATOM 1380 O LEU A 96 -12.623 2.011 5.569 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.913 3.046 6.934 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.121 2.087 6.044 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.645 2.105 4.620 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.654 2.441 6.069 1.00 0.28 C ATOM 0 H LEU A 96 -10.989 0.526 6.884 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.490 3.030 8.385 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.095 3.964 6.375 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.294 3.312 7.791 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.247 1.078 6.437 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.064 1.414 4.010 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.692 1.802 4.614 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.556 3.112 4.212 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.102 1.750 5.431 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.519 3.459 5.704 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.280 2.370 7.090 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.989 3.962 6.596 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.069 4.347 5.705 1.00 0.31 C ATOM 1398 C LYS A 97 -13.498 5.120 4.519 1.00 0.28 C ATOM 1399 O LYS A 97 -12.301 5.405 4.484 1.00 0.25 O ATOM 1400 CB LYS A 97 -15.103 5.190 6.466 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.424 5.398 5.734 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.143 4.081 5.492 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.502 4.295 4.842 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.236 3.017 4.648 1.00 1.61 N ATOM 0 H LYS A 97 -12.775 4.646 7.322 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.571 3.455 5.330 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.306 4.712 7.424 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.667 6.165 6.683 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -17.063 6.060 6.317 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -16.238 5.892 4.780 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.531 3.443 4.854 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.271 3.556 6.439 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -19.098 4.965 5.462 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.369 4.786 3.878 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.156 3.209 4.203 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -18.680 2.387 4.036 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -19.386 2.560 5.570 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.342 5.412 3.538 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.951 6.214 2.385 1.00 0.32 C ATOM 1420 C ILE A 98 -13.220 7.485 2.813 1.00 0.32 C ATOM 1421 O ILE A 98 -13.802 8.368 3.444 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.182 6.606 1.541 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.930 5.355 1.076 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.763 7.456 0.350 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.211 5.652 0.328 1.00 0.90 C ATOM 0 H ILE A 98 -15.313 5.101 3.518 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.279 5.600 1.785 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.855 7.197 2.162 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.273 4.768 0.434 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.162 4.738 1.944 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.644 7.723 -0.234 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.274 8.363 0.705 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -14.071 6.891 -0.275 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.684 4.716 0.031 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.888 6.212 0.973 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.985 6.242 -0.560 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.943 7.561 2.469 1.00 0.30 N ATOM 1438 CA GLY A 99 -11.154 8.736 2.786 1.00 0.32 C ATOM 1439 C GLY A 99 -10.238 8.558 3.988 1.00 0.32 C ATOM 1440 O GLY A 99 -9.472 9.464 4.322 1.00 0.46 O ATOM 0 H GLY A 99 -11.436 6.827 1.974 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.551 9.001 1.918 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.826 9.573 2.975 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.308 7.411 4.649 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.441 7.150 5.794 1.00 0.19 C ATOM 1446 C ASP A 100 -8.254 6.297 5.375 1.00 0.15 C ATOM 1447 O ASP A 100 -8.392 5.402 4.541 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.211 6.453 6.920 1.00 0.22 C ATOM 1449 CG ASP A 100 -11.230 7.354 7.586 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.826 8.264 8.342 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.444 7.142 7.379 1.00 0.37 O ATOM 0 H ASP A 100 -10.949 6.652 4.417 1.00 0.21 H new ATOM 0 HA ASP A 100 -9.079 8.109 6.166 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.718 5.576 6.517 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.504 6.097 7.670 1.00 0.22 H new ATOM 1456 N ILE A 101 -7.088 6.582 5.949 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.866 5.860 5.607 1.00 0.16 C ATOM 1458 C ILE A 101 -5.433 4.967 6.772 1.00 0.16 C ATOM 1459 O ILE A 101 -5.732 5.256 7.931 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.708 6.824 5.254 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.208 7.991 4.392 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.612 6.068 4.516 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -4.133 9.009 4.061 1.00 0.21 C ATOM 0 H ILE A 101 -6.964 7.309 6.654 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.088 5.250 4.731 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.306 7.231 6.182 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.619 7.595 3.463 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -6.023 8.493 4.913 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.800 6.752 4.270 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.232 5.267 5.150 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -4.018 5.643 3.598 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.560 9.804 3.450 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.738 9.434 4.984 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.328 8.522 3.511 1.00 0.21 H new ATOM 1475 N SER A 102 -4.739 3.881 6.455 1.00 0.16 N ATOM 1476 CA SER A 102 -4.290 2.924 7.460 1.00 0.19 C ATOM 1477 C SER A 102 -2.814 3.115 7.796 1.00 0.18 C ATOM 1478 O SER A 102 -2.018 3.535 6.950 1.00 0.22 O ATOM 1479 CB SER A 102 -4.518 1.496 6.951 1.00 0.25 C ATOM 1480 OG SER A 102 -4.149 1.381 5.590 1.00 0.92 O ATOM 0 H SER A 102 -4.473 3.639 5.501 1.00 0.16 H new ATOM 0 HA SER A 102 -4.869 3.094 8.368 1.00 0.19 H new ATOM 0 HB2 SER A 102 -3.937 0.795 7.550 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.567 1.226 7.072 1.00 0.25 H new ATOM 0 HG SER A 102 -4.876 1.716 5.025 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.438 2.825 9.053 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.037 2.793 9.471 1.00 0.23 C ATOM 1488 C PRO A 103 -0.299 1.615 8.836 1.00 0.20 C ATOM 1489 O PRO A 103 -0.938 0.664 8.382 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.117 2.629 10.990 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.438 1.990 11.235 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.355 2.514 10.166 1.00 0.28 C ATOM 0 HA PRO A 103 -0.488 3.684 9.167 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.302 2.009 11.364 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.043 3.592 11.496 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.361 0.904 11.186 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.814 2.238 12.228 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.101 1.773 9.877 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -3.897 3.399 10.500 1.00 0.28 H new ATOM 1500 N ILE A 104 1.033 1.704 8.793 1.00 0.17 N ATOM 1501 CA ILE A 104 1.886 0.654 8.217 1.00 0.15 C ATOM 1502 C ILE A 104 1.389 -0.757 8.552 1.00 0.14 C ATOM 1503 O ILE A 104 1.423 -1.184 9.712 1.00 0.20 O ATOM 1504 CB ILE A 104 3.345 0.769 8.718 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.838 2.218 8.640 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.257 -0.148 7.912 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.816 2.802 7.245 1.00 0.17 C ATOM 0 H ILE A 104 1.553 2.504 9.155 1.00 0.17 H new ATOM 0 HA ILE A 104 1.841 0.806 7.139 1.00 0.15 H new ATOM 0 HB ILE A 104 3.372 0.458 9.762 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.220 2.836 9.291 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.856 2.266 9.027 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.280 -0.056 8.277 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.924 -1.180 8.022 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.220 0.135 6.860 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.179 3.829 7.275 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.457 2.209 6.592 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.796 2.789 6.861 1.00 0.17 H new ATOM 1519 N VAL A 105 0.927 -1.465 7.529 1.00 0.13 N ATOM 1520 CA VAL A 105 0.499 -2.852 7.672 1.00 0.15 C ATOM 1521 C VAL A 105 1.394 -3.767 6.838 1.00 0.15 C ATOM 1522 O VAL A 105 1.617 -3.522 5.649 1.00 0.17 O ATOM 1523 CB VAL A 105 -0.990 -3.035 7.262 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.294 -2.308 5.966 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.349 -4.510 7.124 1.00 1.04 C ATOM 0 H VAL A 105 0.838 -1.097 6.582 1.00 0.13 H new ATOM 0 HA VAL A 105 0.590 -3.124 8.724 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.598 -2.603 8.057 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.342 -2.454 5.704 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.096 -1.243 6.091 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.663 -2.704 5.170 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.396 -4.604 6.837 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -0.720 -4.968 6.360 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.187 -5.014 8.077 1.00 1.04 H new ATOM 1535 N GLN A 106 1.930 -4.805 7.466 1.00 0.18 N ATOM 1536 CA GLN A 106 2.768 -5.755 6.763 1.00 0.20 C ATOM 1537 C GLN A 106 1.920 -6.891 6.206 1.00 0.23 C ATOM 1538 O GLN A 106 1.010 -7.391 6.866 1.00 0.29 O ATOM 1539 CB GLN A 106 3.859 -6.314 7.677 1.00 0.24 C ATOM 1540 CG GLN A 106 4.795 -5.258 8.244 1.00 0.25 C ATOM 1541 CD GLN A 106 5.994 -5.867 8.946 1.00 0.30 C ATOM 1542 OE1 GLN A 106 5.956 -6.137 10.147 1.00 0.55 O ATOM 1543 NE2 GLN A 106 7.069 -6.081 8.202 1.00 0.28 N ATOM 0 H GLN A 106 1.798 -5.006 8.457 1.00 0.18 H new ATOM 0 HA GLN A 106 3.253 -5.231 5.939 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.388 -6.848 8.503 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.447 -7.043 7.120 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.139 -4.611 7.438 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.247 -4.629 8.946 1.00 0.25 H new ATOM 0 HE21 GLN A 106 7.058 -5.843 7.210 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.907 -6.484 8.621 1.00 0.28 H new ATOM 1552 N THR A 107 2.229 -7.287 4.990 1.00 0.22 N ATOM 1553 CA THR A 107 1.482 -8.316 4.299 1.00 0.27 C ATOM 1554 C THR A 107 2.360 -9.527 4.029 1.00 0.34 C ATOM 1555 O THR A 107 3.514 -9.559 4.451 1.00 0.37 O ATOM 1556 CB THR A 107 0.924 -7.787 2.967 1.00 0.26 C ATOM 1557 OG1 THR A 107 1.940 -7.045 2.279 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.295 -6.907 3.199 1.00 0.27 C ATOM 0 H THR A 107 3.006 -6.904 4.452 1.00 0.22 H new ATOM 0 HA THR A 107 0.652 -8.609 4.942 1.00 0.27 H new ATOM 0 HB THR A 107 0.619 -8.638 2.358 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.545 -6.242 1.880 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.670 -6.546 2.242 1.00 0.27 H new ATOM 0 HG22 THR A 107 -1.072 -7.486 3.698 1.00 0.27 H new ATOM 0 HG23 THR A 107 -0.017 -6.058 3.824 1.00 0.27 H new ATOM 1566 N ASP A 108 1.816 -10.508 3.326 1.00 0.40 N ATOM 1567 CA ASP A 108 2.558 -11.715 2.989 1.00 0.49 C ATOM 1568 C ASP A 108 3.821 -11.379 2.206 1.00 0.45 C ATOM 1569 O ASP A 108 4.890 -11.936 2.466 1.00 0.53 O ATOM 1570 CB ASP A 108 1.673 -12.673 2.189 1.00 0.60 C ATOM 1571 CG ASP A 108 0.530 -13.222 3.017 1.00 1.37 C ATOM 1572 OD1 ASP A 108 -0.373 -12.440 3.383 1.00 1.67 O ATOM 1573 OD2 ASP A 108 0.523 -14.439 3.303 1.00 2.16 O ATOM 0 H ASP A 108 0.858 -10.492 2.976 1.00 0.40 H new ATOM 0 HA ASP A 108 2.856 -12.203 3.917 1.00 0.49 H new ATOM 0 HB2 ASP A 108 1.272 -12.153 1.319 1.00 0.60 H new ATOM 0 HB3 ASP A 108 2.279 -13.499 1.816 1.00 0.60 H new ATOM 1578 N SER A 109 3.704 -10.453 1.263 1.00 0.39 N ATOM 1579 CA SER A 109 4.847 -10.048 0.467 1.00 0.43 C ATOM 1580 C SER A 109 5.648 -8.962 1.190 1.00 0.53 C ATOM 1581 O SER A 109 6.785 -9.198 1.574 1.00 1.09 O ATOM 1582 CB SER A 109 4.379 -9.549 -0.905 1.00 0.47 C ATOM 1583 OG SER A 109 5.473 -9.274 -1.763 1.00 0.60 O ATOM 0 H SER A 109 2.834 -9.973 1.034 1.00 0.39 H new ATOM 0 HA SER A 109 5.498 -10.911 0.323 1.00 0.43 H new ATOM 0 HB2 SER A 109 3.735 -10.299 -1.365 1.00 0.47 H new ATOM 0 HB3 SER A 109 3.779 -8.648 -0.779 1.00 0.47 H new ATOM 0 HG SER A 109 6.250 -9.801 -1.482 1.00 0.60 H new ATOM 1589 N GLY A 110 5.038 -7.808 1.461 1.00 0.22 N ATOM 1590 CA GLY A 110 5.800 -6.719 2.036 1.00 0.19 C ATOM 1591 C GLY A 110 4.956 -5.753 2.837 1.00 0.16 C ATOM 1592 O GLY A 110 4.178 -6.155 3.694 1.00 0.24 O ATOM 0 H GLY A 110 4.051 -7.613 1.296 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.578 -7.130 2.679 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.302 -6.175 1.236 1.00 0.19 H new ATOM 1596 N LEU A 111 5.093 -4.479 2.530 1.00 0.12 N ATOM 1597 CA LEU A 111 4.484 -3.412 3.324 1.00 0.11 C ATOM 1598 C LEU A 111 3.384 -2.699 2.556 1.00 0.11 C ATOM 1599 O LEU A 111 3.473 -2.537 1.342 1.00 0.13 O ATOM 1600 CB LEU A 111 5.549 -2.396 3.731 1.00 0.12 C ATOM 1601 CG LEU A 111 6.091 -2.528 5.152 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.688 -3.906 5.389 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.130 -1.453 5.402 1.00 0.19 C ATOM 0 H LEU A 111 5.627 -4.147 1.727 1.00 0.12 H new ATOM 0 HA LEU A 111 4.043 -3.871 4.209 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.385 -2.477 3.036 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.132 -1.396 3.614 1.00 0.12 H new ATOM 0 HG LEU A 111 5.264 -2.401 5.850 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.065 -3.968 6.410 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.921 -4.666 5.239 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.506 -4.073 4.689 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.516 -1.549 6.417 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.948 -1.565 4.691 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.674 -0.471 5.278 1.00 0.19 H new ATOM 1615 N HIS A 112 2.343 -2.271 3.262 1.00 0.11 N ATOM 1616 CA HIS A 112 1.252 -1.537 2.633 1.00 0.12 C ATOM 1617 C HIS A 112 0.707 -0.424 3.507 1.00 0.14 C ATOM 1618 O HIS A 112 0.815 -0.456 4.732 1.00 0.22 O ATOM 1619 CB HIS A 112 0.088 -2.463 2.297 1.00 0.14 C ATOM 1620 CG HIS A 112 0.321 -3.334 1.115 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.827 -4.576 1.031 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 -0.015 -2.965 -0.166 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 0.782 -4.946 -0.286 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.270 -3.957 -0.989 1.00 0.21 N flip ATOM 0 H HIS A 112 2.232 -2.419 4.265 1.00 0.11 H new ATOM 0 HA HIS A 112 1.681 -1.105 1.729 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.122 -3.092 3.162 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.802 -1.859 2.119 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.443 -2.016 -0.453 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.112 -5.894 -0.684 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.119 -3.957 -1.998 1.00 0.21 H new ATOM 1633 N ILE A 113 0.156 0.574 2.838 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.781 1.504 3.433 1.00 0.13 C ATOM 1635 C ILE A 113 -1.976 1.615 2.501 1.00 0.12 C ATOM 1636 O ILE A 113 -1.806 1.696 1.281 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.170 2.899 3.651 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.521 3.369 2.373 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.804 2.866 4.817 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.530 4.864 2.193 1.00 0.17 C ATOM 0 H ILE A 113 0.351 0.761 1.854 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.068 1.128 4.415 1.00 0.13 H new ATOM 0 HB ILE A 113 -0.964 3.606 3.892 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.549 3.008 2.375 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.025 2.914 1.516 1.00 0.15 H new ATOM 0 HG21 ILE A 113 1.231 3.858 4.963 1.00 0.15 H new ATOM 0 HG22 ILE A 113 0.278 2.561 5.722 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.603 2.155 4.604 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.039 5.115 1.262 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.495 5.232 2.157 1.00 0.17 H new ATOM 0 HD13 ILE A 113 1.053 5.328 3.029 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.175 1.567 3.046 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.369 1.582 2.217 1.00 0.11 C ATOM 1654 C ILE A 114 -5.338 2.663 2.679 1.00 0.11 C ATOM 1655 O ILE A 114 -5.420 2.966 3.866 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.116 0.220 2.234 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.147 -0.968 2.248 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.034 0.113 1.030 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.800 -1.453 3.639 1.00 0.18 C ATOM 0 H ILE A 114 -3.351 1.518 4.050 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.030 1.786 1.201 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.703 0.184 3.152 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.587 -1.791 1.685 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.230 -0.684 1.733 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.553 -0.845 1.052 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.765 0.922 1.056 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.445 0.186 0.116 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.111 -2.295 3.570 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.330 -0.645 4.200 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.709 -1.770 4.151 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.050 3.254 1.733 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.143 4.157 2.047 1.00 0.14 C ATOM 1673 C LYS A 115 -8.371 3.722 1.248 1.00 0.15 C ATOM 1674 O LYS A 115 -8.240 3.300 0.097 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.774 5.616 1.723 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.905 5.987 0.253 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.636 7.466 0.026 1.00 0.24 C ATOM 1678 CE LYS A 115 -7.281 7.962 -1.257 1.00 0.35 C ATOM 1679 NZ LYS A 115 -7.126 9.431 -1.426 1.00 0.61 N ATOM 0 H LYS A 115 -5.888 3.122 0.735 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.355 4.111 3.115 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.411 6.278 2.310 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.747 5.797 2.041 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.206 5.394 -0.337 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.907 5.740 -0.098 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -7.017 8.039 0.871 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.561 7.638 -0.017 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.834 7.450 -2.109 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -8.341 7.707 -1.252 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -7.580 9.728 -2.313 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -7.575 9.922 -0.626 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -6.115 9.672 -1.457 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.554 3.789 1.845 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.760 3.370 1.137 1.00 0.17 C ATOM 1695 C ARG A 116 -11.273 4.484 0.233 1.00 0.19 C ATOM 1696 O ARG A 116 -11.330 5.648 0.625 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.863 2.901 2.098 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.232 2.832 1.436 1.00 0.28 C ATOM 1699 CD ARG A 116 -14.104 1.691 1.939 1.00 0.49 C ATOM 1700 NE ARG A 116 -14.069 1.492 3.384 1.00 0.79 N ATOM 1701 CZ ARG A 116 -14.975 0.762 4.044 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -16.032 0.280 3.408 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -14.831 0.528 5.342 1.00 1.87 N ATOM 0 H ARG A 116 -9.705 4.122 2.797 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.486 2.516 0.517 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.604 1.917 2.489 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.910 3.580 2.949 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.753 3.775 1.602 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.099 2.727 0.359 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -15.134 1.878 1.636 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.790 0.769 1.451 1.00 0.49 H new ATOM 0 HE ARG A 116 -13.318 1.931 3.916 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -16.157 0.465 2.413 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -16.721 -0.276 3.913 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -14.026 0.905 5.842 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -15.525 -0.029 5.840 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.625 4.104 -0.985 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.120 5.035 -1.992 1.00 0.27 C ATOM 1719 C LEU A 117 -13.635 4.915 -2.124 1.00 0.29 C ATOM 1720 O LEU A 117 -14.328 5.900 -2.370 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.469 4.741 -3.354 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.092 5.365 -3.623 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -10.221 6.834 -3.975 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.166 5.192 -2.437 1.00 0.80 C ATOM 0 H LEU A 117 -11.576 3.137 -1.306 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.863 6.047 -1.678 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.376 3.660 -3.458 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.151 5.079 -4.134 1.00 0.32 H new ATOM 0 HG LEU A 117 -9.658 4.840 -4.474 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -9.232 7.252 -4.161 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.834 6.941 -4.870 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.690 7.367 -3.148 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.200 5.645 -2.661 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.600 5.677 -1.563 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -9.030 4.130 -2.233 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.138 3.695 -1.970 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.565 3.433 -2.078 1.00 0.30 C ATOM 1738 C ALA A 118 -15.930 2.154 -1.335 1.00 0.30 C ATOM 1739 O ALA A 118 -15.633 1.059 -1.852 1.00 1.10 O ATOM 1740 CB ALA A 118 -15.983 3.338 -3.541 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.513 2.246 -0.237 1.00 1.09 O ATOM 0 H ALA A 118 -13.574 2.869 -1.769 1.00 0.26 H new ATOM 0 HA ALA A 118 -16.102 4.264 -1.620 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.053 3.142 -3.602 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.757 4.277 -4.046 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.438 2.527 -4.023 1.00 0.39 H new TER 1747 ALA A 118