USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1063 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 26 LYS NZ :NH3+ 180:sc=-0.00967 (180deg=0) USER MOD Set 1.2: A 64 ASN : amide:sc= -3.23! C(o=-3.2!,f=-6.4!) USER MOD Set 2.1: A 58 ASN : amide:sc= 0.232 K(o=-0.63,f=-6.5) USER MOD Set 2.2: A 59 ASN :FLIP amide:sc= -0.861 F(o=-6.5!,f=-0.63) USER MOD Set 3.1: A 36 MET CE :methyl -147:sc= -3.07! (180deg=-3.23!) USER MOD Set 3.2: A 41 GLN : amide:sc= -3.09! C(o=-16!,f=-17!) USER MOD Set 3.3: A 72 MET CE :methyl -113:sc= -5.76! (180deg=-3.95!) USER MOD Set 3.4: A 75 GLN : amide:sc= -4.27 K(o=-16,f=-22!) USER MOD Set 3.5: A 76 MET CE :methyl 138:sc= -0.0535 (180deg=-1.04) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0629 F(o=-2.5!,f=-0.063) USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= -0.0579 (180deg=-0.322) USER MOD Single : A 18 GLN : amide:sc= 0.338 K(o=0.34,f=-0.74) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -45:sc= 0.848 USER MOD Single : A 29 THR OG1 : rot -173:sc= -0.93 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 1:sc= 0.395! USER MOD Single : A 42 ASN : amide:sc= -0.359 K(o=-0.36,f=-2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0587 K(o=-0.059,f=-0.66) USER MOD Single : A 57 ASN :FLIP amide:sc= -1.12 F(o=-3.7,f=-1.1) USER MOD Single : A 60 ASN : amide:sc= -6.57! C(o=-6.6!,f=-6.4!) USER MOD Single : A 62 GLN :FLIP amide:sc= -7.96! C(o=-8.5!,f=-8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 88:sc= 0.99 USER MOD Single : A 74 LYS NZ :NH3+ -162:sc= -0.0816 (180deg=-0.428) USER MOD Single : A 85 MET CE :methyl 168:sc= -4.18! (180deg=-4.68!) USER MOD Single : A 90 LYS NZ :NH3+ -173:sc= -0.0899 (180deg=-0.256) USER MOD Single : A 101 SER OG : rot 180:sc= -1.78! USER MOD Single : A 109 MET CE :methyl -172:sc= -2.96! (180deg=-3.09!) USER MOD Single : A 111 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.6!) USER MOD Single : A 115 LYS NZ :NH3+ -171:sc=-0.00466 (180deg=-0.141) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 124 MET CE :methyl 167:sc= -0.543 (180deg=-0.744) USER MOD Single : A 135 MET CE :methyl -168:sc= -0.278 (180deg=-0.896) USER MOD Single : A 137 ASN : amide:sc= 0.24 K(o=0.24,f=-3.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl 168:sc= -2.82! (180deg=-2.99!) USER MOD Single : A 146 SER OG : rot -57:sc= 1.21 USER MOD Single : A 147 GLN : amide:sc= 0.685 K(o=0.69,f=-0.78) USER MOD Single : A 148 LYS NZ :NH3+ -168:sc= -2.27 (180deg=-2.57!) USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 3 11.689 -14.353 2.281 1.00 0.87 N ATOM 13 CA GLU A 3 12.023 -14.170 3.689 1.00 0.57 C ATOM 14 C GLU A 3 13.401 -13.538 3.850 1.00 0.48 C ATOM 15 O GLU A 3 14.111 -13.318 2.870 1.00 0.55 O ATOM 16 CB GLU A 3 11.987 -15.512 4.419 1.00 0.70 C ATOM 17 CG GLU A 3 10.735 -15.716 5.257 1.00 1.23 C ATOM 18 CD GLU A 3 10.563 -14.645 6.317 1.00 1.78 C ATOM 19 OE1 GLU A 3 11.116 -14.812 7.424 1.00 2.49 O ATOM 20 OE2 GLU A 3 9.874 -13.641 6.039 1.00 2.20 O ATOM 0 HA GLU A 3 11.282 -13.500 4.124 1.00 0.57 H new ATOM 0 HB2 GLU A 3 12.059 -16.316 3.687 1.00 0.70 H new ATOM 0 HB3 GLU A 3 12.862 -15.589 5.064 1.00 0.70 H new ATOM 0 HG2 GLU A 3 9.862 -15.720 4.604 1.00 1.23 H new ATOM 0 HG3 GLU A 3 10.779 -16.694 5.737 1.00 1.23 H new ATOM 27 N LEU A 4 13.770 -13.247 5.095 1.00 0.44 N ATOM 28 CA LEU A 4 15.065 -12.645 5.388 1.00 0.39 C ATOM 29 C LEU A 4 16.109 -13.717 5.697 1.00 0.37 C ATOM 30 O LEU A 4 16.690 -13.737 6.782 1.00 0.45 O ATOM 31 CB LEU A 4 14.961 -11.672 6.572 1.00 0.47 C ATOM 32 CG LEU A 4 14.172 -10.380 6.318 1.00 0.43 C ATOM 33 CD1 LEU A 4 14.425 -9.383 7.436 1.00 1.12 C ATOM 34 CD2 LEU A 4 14.536 -9.773 4.973 1.00 1.25 C ATOM 0 H LEU A 4 13.190 -13.419 5.916 1.00 0.44 H new ATOM 0 HA LEU A 4 15.378 -12.093 4.502 1.00 0.39 H new ATOM 0 HB2 LEU A 4 14.499 -12.197 7.408 1.00 0.47 H new ATOM 0 HB3 LEU A 4 15.970 -11.402 6.884 1.00 0.47 H new ATOM 0 HG LEU A 4 13.110 -10.627 6.299 1.00 0.43 H new ATOM 0 HD11 LEU A 4 13.860 -8.471 7.245 1.00 1.12 H new ATOM 0 HD12 LEU A 4 14.108 -9.813 8.386 1.00 1.12 H new ATOM 0 HD13 LEU A 4 15.489 -9.148 7.481 1.00 1.12 H new ATOM 0 HD21 LEU A 4 13.962 -8.859 4.819 1.00 1.25 H new ATOM 0 HD22 LEU A 4 15.601 -9.541 4.955 1.00 1.25 H new ATOM 0 HD23 LEU A 4 14.306 -10.484 4.179 1.00 1.25 H new ATOM 46 N THR A 5 16.339 -14.608 4.737 1.00 0.35 N ATOM 47 CA THR A 5 17.317 -15.678 4.904 1.00 0.37 C ATOM 48 C THR A 5 18.731 -15.142 4.706 1.00 0.35 C ATOM 49 O THR A 5 18.912 -14.077 4.127 1.00 0.39 O ATOM 50 CB THR A 5 17.066 -16.829 3.909 1.00 0.40 C ATOM 51 OG1 THR A 5 15.689 -17.217 3.947 1.00 0.46 O ATOM 52 CG2 THR A 5 17.941 -18.033 4.232 1.00 0.47 C ATOM 0 H THR A 5 15.862 -14.610 3.836 1.00 0.35 H new ATOM 0 HA THR A 5 17.210 -16.064 5.918 1.00 0.37 H new ATOM 0 HB THR A 5 17.320 -16.473 2.911 1.00 0.40 H new ATOM 0 HG1 THR A 5 15.537 -17.947 3.311 1.00 0.46 H new ATOM 0 HG21 THR A 5 17.743 -18.829 3.515 1.00 0.47 H new ATOM 0 HG22 THR A 5 18.991 -17.746 4.175 1.00 0.47 H new ATOM 0 HG23 THR A 5 17.716 -18.387 5.238 1.00 0.47 H new ATOM 60 N GLU A 6 19.727 -15.879 5.189 1.00 0.36 N ATOM 61 CA GLU A 6 21.126 -15.465 5.065 1.00 0.37 C ATOM 62 C GLU A 6 21.437 -14.926 3.667 1.00 0.33 C ATOM 63 O GLU A 6 22.082 -13.887 3.520 1.00 0.34 O ATOM 64 CB GLU A 6 22.047 -16.643 5.383 1.00 0.45 C ATOM 65 CG GLU A 6 21.766 -17.881 4.548 1.00 0.87 C ATOM 66 CD GLU A 6 22.669 -19.044 4.908 1.00 0.98 C ATOM 67 OE1 GLU A 6 23.755 -19.162 4.303 1.00 1.20 O ATOM 68 OE2 GLU A 6 22.289 -19.838 5.794 1.00 1.17 O ATOM 0 H GLU A 6 19.594 -16.768 5.671 1.00 0.36 H new ATOM 0 HA GLU A 6 21.298 -14.659 5.779 1.00 0.37 H new ATOM 0 HB2 GLU A 6 23.081 -16.337 5.226 1.00 0.45 H new ATOM 0 HB3 GLU A 6 21.946 -16.897 6.438 1.00 0.45 H new ATOM 0 HG2 GLU A 6 20.726 -18.178 4.684 1.00 0.87 H new ATOM 0 HG3 GLU A 6 21.894 -17.640 3.493 1.00 0.87 H new ATOM 75 N GLU A 7 20.967 -15.636 2.647 1.00 0.34 N ATOM 76 CA GLU A 7 21.195 -15.245 1.261 1.00 0.35 C ATOM 77 C GLU A 7 20.401 -13.996 0.904 1.00 0.30 C ATOM 78 O GLU A 7 20.946 -13.039 0.354 1.00 0.30 O ATOM 79 CB GLU A 7 20.808 -16.391 0.323 1.00 0.44 C ATOM 80 CG GLU A 7 19.477 -17.039 0.666 1.00 0.47 C ATOM 81 CD GLU A 7 19.137 -18.193 -0.254 1.00 0.57 C ATOM 82 OE1 GLU A 7 19.534 -19.336 0.053 1.00 0.61 O ATOM 83 OE2 GLU A 7 18.471 -17.954 -1.285 1.00 0.64 O ATOM 0 H GLU A 7 20.422 -16.491 2.756 1.00 0.34 H new ATOM 0 HA GLU A 7 22.255 -15.021 1.143 1.00 0.35 H new ATOM 0 HB2 GLU A 7 20.766 -16.014 -0.699 1.00 0.44 H new ATOM 0 HB3 GLU A 7 21.589 -17.150 0.350 1.00 0.44 H new ATOM 0 HG2 GLU A 7 19.506 -17.396 1.695 1.00 0.47 H new ATOM 0 HG3 GLU A 7 18.687 -16.290 0.610 1.00 0.47 H new ATOM 90 N GLN A 8 19.110 -14.014 1.217 1.00 0.30 N ATOM 91 CA GLN A 8 18.240 -12.884 0.935 1.00 0.30 C ATOM 92 C GLN A 8 18.781 -11.614 1.580 1.00 0.25 C ATOM 93 O GLN A 8 18.800 -10.551 0.961 1.00 0.24 O ATOM 94 CB GLN A 8 16.829 -13.179 1.442 1.00 0.35 C ATOM 95 CG GLN A 8 16.082 -14.200 0.597 1.00 0.45 C ATOM 96 CD GLN A 8 15.373 -13.580 -0.596 1.00 0.72 C ATOM 97 OE1 GLN A 8 15.929 -12.496 -1.126 1.00 1.32 O flip ATOM 98 NE2 GLN A 8 14.334 -14.074 -1.036 1.00 1.02 N flip ATOM 0 H GLN A 8 18.644 -14.802 1.667 1.00 0.30 H new ATOM 0 HA GLN A 8 18.206 -12.729 -0.143 1.00 0.30 H new ATOM 0 HB2 GLN A 8 16.889 -13.542 2.468 1.00 0.35 H new ATOM 0 HB3 GLN A 8 16.258 -12.251 1.465 1.00 0.35 H new ATOM 0 HG2 GLN A 8 16.785 -14.954 0.243 1.00 0.45 H new ATOM 0 HG3 GLN A 8 15.350 -14.714 1.221 1.00 0.45 H new ATOM 0 HE21 GLN A 8 13.941 -14.907 -0.599 1.00 1.02 H new ATOM 0 HE22 GLN A 8 13.867 -13.650 -1.837 1.00 1.02 H new ATOM 107 N ILE A 9 19.228 -11.737 2.825 1.00 0.25 N ATOM 108 CA ILE A 9 19.781 -10.608 3.555 1.00 0.26 C ATOM 109 C ILE A 9 20.935 -9.995 2.780 1.00 0.25 C ATOM 110 O ILE A 9 20.973 -8.789 2.553 1.00 0.27 O ATOM 111 CB ILE A 9 20.269 -11.025 4.959 1.00 0.32 C ATOM 112 CG1 ILE A 9 19.088 -11.499 5.808 1.00 0.37 C ATOM 113 CG2 ILE A 9 20.988 -9.868 5.642 1.00 0.34 C ATOM 114 CD1 ILE A 9 19.494 -12.083 7.145 1.00 0.45 C ATOM 0 H ILE A 9 19.217 -12.612 3.349 1.00 0.25 H new ATOM 0 HA ILE A 9 18.986 -9.872 3.673 1.00 0.26 H new ATOM 0 HB ILE A 9 20.975 -11.849 4.852 1.00 0.32 H new ATOM 0 HG12 ILE A 9 18.414 -10.659 5.978 1.00 0.37 H new ATOM 0 HG13 ILE A 9 18.528 -12.249 5.249 1.00 0.37 H new ATOM 0 HG21 ILE A 9 21.324 -10.181 6.630 1.00 0.34 H new ATOM 0 HG22 ILE A 9 21.849 -9.570 5.043 1.00 0.34 H new ATOM 0 HG23 ILE A 9 20.306 -9.024 5.742 1.00 0.34 H new ATOM 0 HD11 ILE A 9 18.604 -12.397 7.690 1.00 0.45 H new ATOM 0 HD12 ILE A 9 20.143 -12.944 6.984 1.00 0.45 H new ATOM 0 HD13 ILE A 9 20.027 -11.329 7.724 1.00 0.45 H new ATOM 126 N ALA A 10 21.866 -10.842 2.370 1.00 0.26 N ATOM 127 CA ALA A 10 23.027 -10.404 1.614 1.00 0.28 C ATOM 128 C ALA A 10 22.627 -9.893 0.231 1.00 0.24 C ATOM 129 O ALA A 10 23.337 -9.086 -0.373 1.00 0.25 O ATOM 130 CB ALA A 10 24.015 -11.555 1.490 1.00 0.36 C ATOM 0 H ALA A 10 21.838 -11.845 2.551 1.00 0.26 H new ATOM 0 HA ALA A 10 23.497 -9.578 2.147 1.00 0.28 H new ATOM 0 HB1 ALA A 10 24.886 -11.227 0.923 1.00 0.36 H new ATOM 0 HB2 ALA A 10 24.328 -11.874 2.484 1.00 0.36 H new ATOM 0 HB3 ALA A 10 23.539 -12.389 0.974 1.00 0.36 H new ATOM 136 N GLU A 11 21.477 -10.352 -0.257 1.00 0.24 N ATOM 137 CA GLU A 11 20.996 -9.962 -1.580 1.00 0.25 C ATOM 138 C GLU A 11 20.631 -8.477 -1.644 1.00 0.22 C ATOM 139 O GLU A 11 21.175 -7.735 -2.466 1.00 0.22 O ATOM 140 CB GLU A 11 19.782 -10.814 -1.965 1.00 0.31 C ATOM 141 CG GLU A 11 19.276 -10.550 -3.374 1.00 0.40 C ATOM 142 CD GLU A 11 18.051 -11.376 -3.716 1.00 1.06 C ATOM 143 OE1 GLU A 11 18.219 -12.547 -4.117 1.00 1.02 O ATOM 144 OE2 GLU A 11 16.925 -10.852 -3.584 1.00 1.93 O ATOM 0 H GLU A 11 20.862 -10.994 0.243 1.00 0.24 H new ATOM 0 HA GLU A 11 21.807 -10.132 -2.288 1.00 0.25 H new ATOM 0 HB2 GLU A 11 20.045 -11.868 -1.874 1.00 0.31 H new ATOM 0 HB3 GLU A 11 18.976 -10.624 -1.257 1.00 0.31 H new ATOM 0 HG2 GLU A 11 19.037 -9.492 -3.478 1.00 0.40 H new ATOM 0 HG3 GLU A 11 20.069 -10.770 -4.088 1.00 0.40 H new ATOM 151 N PHE A 12 19.724 -8.038 -0.775 1.00 0.21 N ATOM 152 CA PHE A 12 19.312 -6.638 -0.770 1.00 0.23 C ATOM 153 C PHE A 12 20.321 -5.769 -0.041 1.00 0.20 C ATOM 154 O PHE A 12 20.468 -4.590 -0.355 1.00 0.22 O ATOM 155 CB PHE A 12 17.917 -6.466 -0.169 1.00 0.29 C ATOM 156 CG PHE A 12 17.732 -7.093 1.177 1.00 0.27 C ATOM 157 CD1 PHE A 12 18.309 -6.538 2.306 1.00 0.32 C ATOM 158 CD2 PHE A 12 16.961 -8.234 1.313 1.00 0.27 C ATOM 159 CE1 PHE A 12 18.123 -7.112 3.544 1.00 0.36 C ATOM 160 CE2 PHE A 12 16.770 -8.810 2.548 1.00 0.28 C ATOM 161 CZ PHE A 12 17.353 -8.248 3.665 1.00 0.33 C ATOM 0 H PHE A 12 19.266 -8.622 -0.075 1.00 0.21 H new ATOM 0 HA PHE A 12 19.271 -6.310 -1.809 1.00 0.23 H new ATOM 0 HB2 PHE A 12 17.699 -5.401 -0.091 1.00 0.29 H new ATOM 0 HB3 PHE A 12 17.186 -6.892 -0.856 1.00 0.29 H new ATOM 0 HD1 PHE A 12 18.911 -5.646 2.215 1.00 0.32 H new ATOM 0 HD2 PHE A 12 16.504 -8.677 0.440 1.00 0.27 H new ATOM 0 HE1 PHE A 12 18.580 -6.672 4.418 1.00 0.36 H new ATOM 0 HE2 PHE A 12 16.165 -9.700 2.643 1.00 0.28 H new ATOM 0 HZ PHE A 12 17.206 -8.699 4.635 1.00 0.33 H new ATOM 171 N LYS A 13 21.009 -6.342 0.940 1.00 0.18 N ATOM 172 CA LYS A 13 22.019 -5.596 1.675 1.00 0.21 C ATOM 173 C LYS A 13 23.113 -5.166 0.706 1.00 0.19 C ATOM 174 O LYS A 13 23.755 -4.129 0.888 1.00 0.24 O ATOM 175 CB LYS A 13 22.591 -6.438 2.819 1.00 0.26 C ATOM 176 CG LYS A 13 23.886 -5.894 3.404 1.00 0.31 C ATOM 177 CD LYS A 13 23.669 -4.562 4.108 1.00 0.40 C ATOM 178 CE LYS A 13 24.969 -4.020 4.680 1.00 0.68 C ATOM 179 NZ LYS A 13 25.603 -4.980 5.624 1.00 1.53 N ATOM 0 H LYS A 13 20.887 -7.309 1.241 1.00 0.18 H new ATOM 0 HA LYS A 13 21.568 -4.710 2.122 1.00 0.21 H new ATOM 0 HB2 LYS A 13 21.847 -6.506 3.613 1.00 0.26 H new ATOM 0 HB3 LYS A 13 22.766 -7.451 2.458 1.00 0.26 H new ATOM 0 HG2 LYS A 13 24.298 -6.616 4.109 1.00 0.31 H new ATOM 0 HG3 LYS A 13 24.621 -5.770 2.609 1.00 0.31 H new ATOM 0 HD2 LYS A 13 23.250 -3.841 3.406 1.00 0.40 H new ATOM 0 HD3 LYS A 13 22.941 -4.686 4.909 1.00 0.40 H new ATOM 0 HE2 LYS A 13 25.660 -3.801 3.866 1.00 0.68 H new ATOM 0 HE3 LYS A 13 24.775 -3.079 5.195 1.00 0.68 H new ATOM 0 HZ1 LYS A 13 26.333 -4.490 6.179 1.00 1.53 H new ATOM 0 HZ2 LYS A 13 24.880 -5.365 6.265 1.00 1.53 H new ATOM 0 HZ3 LYS A 13 26.039 -5.757 5.088 1.00 1.53 H new ATOM 193 N ASP A 14 23.310 -5.977 -0.332 1.00 0.16 N ATOM 194 CA ASP A 14 24.295 -5.678 -1.363 1.00 0.19 C ATOM 195 C ASP A 14 23.771 -4.559 -2.256 1.00 0.18 C ATOM 196 O ASP A 14 24.452 -3.557 -2.486 1.00 0.20 O ATOM 197 CB ASP A 14 24.593 -6.926 -2.195 1.00 0.23 C ATOM 198 CG ASP A 14 25.594 -6.662 -3.302 1.00 0.30 C ATOM 199 OD1 ASP A 14 26.782 -6.440 -2.989 1.00 0.38 O ATOM 200 OD2 ASP A 14 25.189 -6.674 -4.483 1.00 0.39 O ATOM 0 H ASP A 14 22.798 -6.847 -0.479 1.00 0.16 H new ATOM 0 HA ASP A 14 25.222 -5.355 -0.889 1.00 0.19 H new ATOM 0 HB2 ASP A 14 24.977 -7.710 -1.542 1.00 0.23 H new ATOM 0 HB3 ASP A 14 23.666 -7.298 -2.630 1.00 0.23 H new ATOM 205 N ALA A 15 22.548 -4.732 -2.756 1.00 0.17 N ATOM 206 CA ALA A 15 21.924 -3.725 -3.603 1.00 0.19 C ATOM 207 C ALA A 15 21.731 -2.427 -2.827 1.00 0.20 C ATOM 208 O ALA A 15 21.481 -1.373 -3.409 1.00 0.24 O ATOM 209 CB ALA A 15 20.586 -4.228 -4.124 1.00 0.22 C ATOM 0 H ALA A 15 21.974 -5.558 -2.588 1.00 0.17 H new ATOM 0 HA ALA A 15 22.579 -3.531 -4.452 1.00 0.19 H new ATOM 0 HB1 ALA A 15 20.131 -3.465 -4.756 1.00 0.22 H new ATOM 0 HB2 ALA A 15 20.741 -5.136 -4.707 1.00 0.22 H new ATOM 0 HB3 ALA A 15 19.926 -4.444 -3.284 1.00 0.22 H new ATOM 215 N PHE A 16 21.853 -2.521 -1.506 1.00 0.21 N ATOM 216 CA PHE A 16 21.684 -1.374 -0.625 1.00 0.25 C ATOM 217 C PHE A 16 22.949 -0.526 -0.586 1.00 0.23 C ATOM 218 O PHE A 16 22.895 0.694 -0.739 1.00 0.24 O ATOM 219 CB PHE A 16 21.320 -1.856 0.782 1.00 0.31 C ATOM 220 CG PHE A 16 21.299 -0.770 1.818 1.00 0.35 C ATOM 221 CD1 PHE A 16 20.265 0.152 1.859 1.00 0.43 C ATOM 222 CD2 PHE A 16 22.313 -0.677 2.758 1.00 0.41 C ATOM 223 CE1 PHE A 16 20.245 1.148 2.815 1.00 0.52 C ATOM 224 CE2 PHE A 16 22.297 0.316 3.718 1.00 0.50 C ATOM 225 CZ PHE A 16 21.263 1.229 3.746 1.00 0.54 C ATOM 0 H PHE A 16 22.071 -3.391 -1.020 1.00 0.21 H new ATOM 0 HA PHE A 16 20.877 -0.752 -1.012 1.00 0.25 H new ATOM 0 HB2 PHE A 16 20.339 -2.330 0.749 1.00 0.31 H new ATOM 0 HB3 PHE A 16 22.034 -2.621 1.088 1.00 0.31 H new ATOM 0 HD1 PHE A 16 19.466 0.091 1.135 1.00 0.43 H new ATOM 0 HD2 PHE A 16 23.125 -1.389 2.740 1.00 0.41 H new ATOM 0 HE1 PHE A 16 19.435 1.862 2.835 1.00 0.52 H new ATOM 0 HE2 PHE A 16 23.093 0.378 4.446 1.00 0.50 H new ATOM 0 HZ PHE A 16 21.249 2.007 4.495 1.00 0.54 H new ATOM 235 N VAL A 17 24.089 -1.178 -0.386 1.00 0.23 N ATOM 236 CA VAL A 17 25.363 -0.477 -0.324 1.00 0.24 C ATOM 237 C VAL A 17 25.743 0.082 -1.690 1.00 0.23 C ATOM 238 O VAL A 17 26.563 0.995 -1.792 1.00 0.28 O ATOM 239 CB VAL A 17 26.492 -1.395 0.180 1.00 0.28 C ATOM 240 CG1 VAL A 17 26.248 -1.793 1.628 1.00 0.90 C ATOM 241 CG2 VAL A 17 26.622 -2.627 -0.702 1.00 0.76 C ATOM 0 H VAL A 17 24.156 -2.189 -0.264 1.00 0.23 H new ATOM 0 HA VAL A 17 25.239 0.344 0.382 1.00 0.24 H new ATOM 0 HB VAL A 17 27.430 -0.843 0.128 1.00 0.28 H new ATOM 0 HG11 VAL A 17 27.055 -2.442 1.968 1.00 0.90 H new ATOM 0 HG12 VAL A 17 26.214 -0.899 2.250 1.00 0.90 H new ATOM 0 HG13 VAL A 17 25.299 -2.324 1.704 1.00 0.90 H new ATOM 0 HG21 VAL A 17 27.426 -3.260 -0.326 1.00 0.76 H new ATOM 0 HG22 VAL A 17 25.685 -3.184 -0.689 1.00 0.76 H new ATOM 0 HG23 VAL A 17 26.848 -2.321 -1.723 1.00 0.76 H new ATOM 251 N GLN A 18 25.141 -0.473 -2.735 1.00 0.20 N ATOM 252 CA GLN A 18 25.409 -0.031 -4.099 1.00 0.21 C ATOM 253 C GLN A 18 24.934 1.404 -4.329 1.00 0.21 C ATOM 254 O GLN A 18 25.494 2.124 -5.156 1.00 0.26 O ATOM 255 CB GLN A 18 24.731 -0.966 -5.100 1.00 0.24 C ATOM 256 CG GLN A 18 25.440 -2.300 -5.266 1.00 0.29 C ATOM 257 CD GLN A 18 24.781 -3.182 -6.309 1.00 1.04 C ATOM 258 OE1 GLN A 18 24.190 -2.691 -7.270 1.00 1.86 O ATOM 259 NE2 GLN A 18 24.878 -4.492 -6.121 1.00 1.60 N ATOM 0 H GLN A 18 24.463 -1.231 -2.664 1.00 0.20 H new ATOM 0 HA GLN A 18 26.488 -0.058 -4.248 1.00 0.21 H new ATOM 0 HB2 GLN A 18 23.706 -1.147 -4.778 1.00 0.24 H new ATOM 0 HB3 GLN A 18 24.678 -0.470 -6.069 1.00 0.24 H new ATOM 0 HG2 GLN A 18 26.478 -2.124 -5.548 1.00 0.29 H new ATOM 0 HG3 GLN A 18 25.454 -2.822 -4.309 1.00 0.29 H new ATOM 0 HE21 GLN A 18 25.378 -4.855 -5.309 1.00 1.60 H new ATOM 0 HE22 GLN A 18 24.453 -5.136 -6.788 1.00 1.60 H new ATOM 268 N PHE A 19 23.901 1.815 -3.597 1.00 0.22 N ATOM 269 CA PHE A 19 23.359 3.164 -3.740 1.00 0.25 C ATOM 270 C PHE A 19 23.853 4.088 -2.632 1.00 0.23 C ATOM 271 O PHE A 19 23.439 5.244 -2.548 1.00 0.32 O ATOM 272 CB PHE A 19 21.829 3.127 -3.747 1.00 0.29 C ATOM 273 CG PHE A 19 21.251 2.492 -4.979 1.00 0.30 C ATOM 274 CD1 PHE A 19 21.118 3.219 -6.151 1.00 0.64 C ATOM 275 CD2 PHE A 19 20.841 1.171 -4.965 1.00 0.44 C ATOM 276 CE1 PHE A 19 20.588 2.637 -7.287 1.00 0.69 C ATOM 277 CE2 PHE A 19 20.311 0.582 -6.097 1.00 0.46 C ATOM 278 CZ PHE A 19 20.183 1.316 -7.260 1.00 0.42 C ATOM 0 H PHE A 19 23.425 1.238 -2.903 1.00 0.22 H new ATOM 0 HA PHE A 19 23.713 3.561 -4.692 1.00 0.25 H new ATOM 0 HB2 PHE A 19 21.483 2.581 -2.870 1.00 0.29 H new ATOM 0 HB3 PHE A 19 21.448 4.145 -3.660 1.00 0.29 H new ATOM 0 HD1 PHE A 19 21.432 4.252 -6.177 1.00 0.64 H new ATOM 0 HD2 PHE A 19 20.936 0.593 -4.058 1.00 0.44 H new ATOM 0 HE1 PHE A 19 20.490 3.214 -8.195 1.00 0.69 H new ATOM 0 HE2 PHE A 19 19.997 -0.451 -6.072 1.00 0.46 H new ATOM 0 HZ PHE A 19 19.768 0.859 -8.146 1.00 0.42 H new ATOM 288 N ASP A 20 24.740 3.578 -1.784 1.00 0.25 N ATOM 289 CA ASP A 20 25.293 4.373 -0.693 1.00 0.24 C ATOM 290 C ASP A 20 26.100 5.546 -1.243 1.00 0.24 C ATOM 291 O ASP A 20 27.238 5.376 -1.680 1.00 0.29 O ATOM 292 CB ASP A 20 26.173 3.504 0.206 1.00 0.28 C ATOM 293 CG ASP A 20 26.811 4.296 1.330 1.00 0.32 C ATOM 294 OD1 ASP A 20 27.918 4.836 1.121 1.00 0.37 O ATOM 295 OD2 ASP A 20 26.204 4.377 2.418 1.00 0.37 O ATOM 0 H ASP A 20 25.090 2.621 -1.831 1.00 0.25 H new ATOM 0 HA ASP A 20 24.467 4.766 -0.100 1.00 0.24 H new ATOM 0 HB2 ASP A 20 25.572 2.698 0.628 1.00 0.28 H new ATOM 0 HB3 ASP A 20 26.954 3.038 -0.395 1.00 0.28 H new ATOM 300 N LYS A 21 25.503 6.734 -1.219 1.00 0.24 N ATOM 301 CA LYS A 21 26.163 7.933 -1.730 1.00 0.30 C ATOM 302 C LYS A 21 26.759 8.775 -0.604 1.00 0.29 C ATOM 303 O LYS A 21 27.971 8.985 -0.552 1.00 0.33 O ATOM 304 CB LYS A 21 25.171 8.773 -2.534 1.00 0.36 C ATOM 305 CG LYS A 21 24.667 8.076 -3.786 1.00 0.90 C ATOM 306 CD LYS A 21 25.715 8.074 -4.888 1.00 1.04 C ATOM 307 CE LYS A 21 25.215 7.351 -6.128 1.00 1.70 C ATOM 308 NZ LYS A 21 26.232 7.346 -7.217 1.00 2.47 N ATOM 0 H LYS A 21 24.565 6.893 -0.852 1.00 0.24 H new ATOM 0 HA LYS A 21 26.980 7.611 -2.375 1.00 0.30 H new ATOM 0 HB2 LYS A 21 24.321 9.024 -1.900 1.00 0.36 H new ATOM 0 HB3 LYS A 21 25.647 9.712 -2.816 1.00 0.36 H new ATOM 0 HG2 LYS A 21 24.390 7.050 -3.545 1.00 0.90 H new ATOM 0 HG3 LYS A 21 23.765 8.574 -4.142 1.00 0.90 H new ATOM 0 HD2 LYS A 21 25.977 9.100 -5.144 1.00 1.04 H new ATOM 0 HD3 LYS A 21 26.624 7.593 -4.527 1.00 1.04 H new ATOM 0 HE2 LYS A 21 24.955 6.324 -5.870 1.00 1.70 H new ATOM 0 HE3 LYS A 21 24.303 7.830 -6.485 1.00 1.70 H new ATOM 0 HZ1 LYS A 21 25.852 6.844 -8.044 1.00 2.47 H new ATOM 0 HZ2 LYS A 21 26.462 8.325 -7.482 1.00 2.47 H new ATOM 0 HZ3 LYS A 21 27.093 6.866 -6.886 1.00 2.47 H new ATOM 322 N GLU A 22 25.899 9.257 0.289 1.00 0.27 N ATOM 323 CA GLU A 22 26.333 10.090 1.408 1.00 0.29 C ATOM 324 C GLU A 22 27.460 9.428 2.197 1.00 0.31 C ATOM 325 O GLU A 22 28.381 10.101 2.663 1.00 0.41 O ATOM 326 CB GLU A 22 25.153 10.388 2.335 1.00 0.31 C ATOM 327 CG GLU A 22 24.010 11.118 1.650 1.00 0.35 C ATOM 328 CD GLU A 22 24.427 12.463 1.090 1.00 0.51 C ATOM 329 OE1 GLU A 22 24.343 13.466 1.831 1.00 0.93 O ATOM 330 OE2 GLU A 22 24.839 12.514 -0.088 1.00 0.44 O ATOM 0 H GLU A 22 24.894 9.085 0.260 1.00 0.27 H new ATOM 0 HA GLU A 22 26.714 11.024 0.996 1.00 0.29 H new ATOM 0 HB2 GLU A 22 24.779 9.450 2.746 1.00 0.31 H new ATOM 0 HB3 GLU A 22 25.504 10.987 3.175 1.00 0.31 H new ATOM 0 HG2 GLU A 22 23.620 10.498 0.843 1.00 0.35 H new ATOM 0 HG3 GLU A 22 23.197 11.262 2.362 1.00 0.35 H new ATOM 337 N GLY A 23 27.383 8.110 2.344 1.00 0.31 N ATOM 338 CA GLY A 23 28.405 7.385 3.079 1.00 0.34 C ATOM 339 C GLY A 23 28.059 7.219 4.546 1.00 0.34 C ATOM 340 O GLY A 23 28.834 6.644 5.311 1.00 0.39 O ATOM 0 H GLY A 23 26.632 7.530 1.968 1.00 0.31 H new ATOM 0 HA2 GLY A 23 28.543 6.402 2.628 1.00 0.34 H new ATOM 0 HA3 GLY A 23 29.355 7.913 2.991 1.00 0.34 H new ATOM 344 N THR A 24 26.893 7.722 4.938 1.00 0.34 N ATOM 345 CA THR A 24 26.442 7.627 6.322 1.00 0.38 C ATOM 346 C THR A 24 25.803 6.268 6.596 1.00 0.36 C ATOM 347 O THR A 24 24.936 6.142 7.463 1.00 0.40 O ATOM 348 CB THR A 24 25.420 8.735 6.656 1.00 0.41 C ATOM 349 OG1 THR A 24 25.112 8.718 8.055 1.00 1.23 O ATOM 350 CG2 THR A 24 24.144 8.555 5.852 1.00 1.39 C ATOM 0 H THR A 24 26.242 8.201 4.315 1.00 0.34 H new ATOM 0 HA THR A 24 27.322 7.750 6.953 1.00 0.38 H new ATOM 0 HB THR A 24 25.865 9.695 6.395 1.00 0.41 H new ATOM 0 HG1 THR A 24 24.955 7.795 8.344 1.00 1.23 H new ATOM 0 HG21 THR A 24 23.440 9.348 6.105 1.00 1.39 H new ATOM 0 HG22 THR A 24 24.375 8.601 4.788 1.00 1.39 H new ATOM 0 HG23 THR A 24 23.700 7.587 6.086 1.00 1.39 H new ATOM 358 N GLY A 25 26.235 5.250 5.857 1.00 0.34 N ATOM 359 CA GLY A 25 25.671 3.925 6.026 1.00 0.37 C ATOM 360 C GLY A 25 24.207 3.901 5.643 1.00 0.31 C ATOM 361 O GLY A 25 23.491 2.939 5.920 1.00 0.36 O ATOM 0 H GLY A 25 26.963 5.320 5.146 1.00 0.34 H new ATOM 0 HA2 GLY A 25 26.222 3.211 5.413 1.00 0.37 H new ATOM 0 HA3 GLY A 25 25.784 3.608 7.063 1.00 0.37 H new ATOM 365 N LYS A 26 23.772 4.980 4.999 1.00 0.27 N ATOM 366 CA LYS A 26 22.393 5.130 4.561 1.00 0.23 C ATOM 367 C LYS A 26 22.356 5.540 3.092 1.00 0.21 C ATOM 368 O LYS A 26 23.320 6.108 2.579 1.00 0.24 O ATOM 369 CB LYS A 26 21.688 6.172 5.427 1.00 0.25 C ATOM 370 CG LYS A 26 21.679 5.809 6.902 1.00 0.29 C ATOM 371 CD LYS A 26 21.161 6.946 7.767 1.00 0.51 C ATOM 372 CE LYS A 26 19.744 7.341 7.390 1.00 0.89 C ATOM 373 NZ LYS A 26 19.163 8.316 8.352 1.00 1.58 N ATOM 0 H LYS A 26 24.368 5.774 4.767 1.00 0.27 H new ATOM 0 HA LYS A 26 21.874 4.178 4.667 1.00 0.23 H new ATOM 0 HB2 LYS A 26 22.180 7.136 5.299 1.00 0.25 H new ATOM 0 HB3 LYS A 26 20.661 6.289 5.081 1.00 0.25 H new ATOM 0 HG2 LYS A 26 21.058 4.926 7.054 1.00 0.29 H new ATOM 0 HG3 LYS A 26 22.689 5.546 7.216 1.00 0.29 H new ATOM 0 HD2 LYS A 26 21.188 6.647 8.815 1.00 0.51 H new ATOM 0 HD3 LYS A 26 21.818 7.809 7.665 1.00 0.51 H new ATOM 0 HE2 LYS A 26 19.742 7.774 6.390 1.00 0.89 H new ATOM 0 HE3 LYS A 26 19.117 6.450 7.353 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 18.195 8.559 8.058 1.00 1.58 H new ATOM 0 HZ2 LYS A 26 19.141 7.895 9.303 1.00 1.58 H new ATOM 0 HZ3 LYS A 26 19.746 9.177 8.369 1.00 1.58 H new ATOM 387 N ILE A 27 21.251 5.250 2.413 1.00 0.19 N ATOM 388 CA ILE A 27 21.132 5.588 0.997 1.00 0.20 C ATOM 389 C ILE A 27 20.040 6.620 0.746 1.00 0.19 C ATOM 390 O ILE A 27 19.054 6.690 1.473 1.00 0.23 O ATOM 391 CB ILE A 27 20.849 4.339 0.145 1.00 0.23 C ATOM 392 CG1 ILE A 27 19.409 3.862 0.337 1.00 0.26 C ATOM 393 CG2 ILE A 27 21.823 3.234 0.505 1.00 0.25 C ATOM 394 CD1 ILE A 27 18.707 3.568 -0.966 1.00 0.54 C ATOM 0 H ILE A 27 20.434 4.788 2.813 1.00 0.19 H new ATOM 0 HA ILE A 27 22.091 6.016 0.704 1.00 0.20 H new ATOM 0 HB ILE A 27 20.981 4.601 -0.905 1.00 0.23 H new ATOM 0 HG12 ILE A 27 19.409 2.964 0.954 1.00 0.26 H new ATOM 0 HG13 ILE A 27 18.849 4.623 0.881 1.00 0.26 H new ATOM 0 HG21 ILE A 27 21.615 2.354 -0.103 1.00 0.25 H new ATOM 0 HG22 ILE A 27 22.842 3.572 0.318 1.00 0.25 H new ATOM 0 HG23 ILE A 27 21.713 2.981 1.559 1.00 0.25 H new ATOM 0 HD11 ILE A 27 17.689 3.234 -0.764 1.00 0.54 H new ATOM 0 HD12 ILE A 27 18.678 4.471 -1.575 1.00 0.54 H new ATOM 0 HD13 ILE A 27 19.246 2.786 -1.501 1.00 0.54 H new ATOM 406 N ALA A 28 20.222 7.417 -0.302 1.00 0.23 N ATOM 407 CA ALA A 28 19.258 8.454 -0.648 1.00 0.25 C ATOM 408 C ALA A 28 17.912 7.846 -1.035 1.00 0.25 C ATOM 409 O ALA A 28 17.850 6.877 -1.792 1.00 0.28 O ATOM 410 CB ALA A 28 19.800 9.312 -1.780 1.00 0.31 C ATOM 0 H ALA A 28 21.028 7.364 -0.926 1.00 0.23 H new ATOM 0 HA ALA A 28 19.101 9.082 0.229 1.00 0.25 H new ATOM 0 HB1 ALA A 28 19.073 10.084 -2.032 1.00 0.31 H new ATOM 0 HB2 ALA A 28 20.733 9.781 -1.467 1.00 0.31 H new ATOM 0 HB3 ALA A 28 19.983 8.687 -2.654 1.00 0.31 H new ATOM 416 N THR A 29 16.836 8.423 -0.503 1.00 0.28 N ATOM 417 CA THR A 29 15.483 7.951 -0.779 1.00 0.31 C ATOM 418 C THR A 29 15.156 8.036 -2.265 1.00 0.32 C ATOM 419 O THR A 29 14.315 7.292 -2.769 1.00 0.34 O ATOM 420 CB THR A 29 14.436 8.766 0.004 1.00 0.39 C ATOM 421 OG1 THR A 29 14.517 10.149 -0.359 1.00 0.40 O ATOM 422 CG2 THR A 29 14.643 8.618 1.503 1.00 0.43 C ATOM 0 H THR A 29 16.878 9.225 0.126 1.00 0.28 H new ATOM 0 HA THR A 29 15.445 6.909 -0.460 1.00 0.31 H new ATOM 0 HB THR A 29 13.448 8.382 -0.250 1.00 0.39 H new ATOM 0 HG1 THR A 29 13.927 10.674 0.220 1.00 0.40 H new ATOM 0 HG21 THR A 29 13.892 9.203 2.034 1.00 0.43 H new ATOM 0 HG22 THR A 29 14.549 7.568 1.781 1.00 0.43 H new ATOM 0 HG23 THR A 29 15.637 8.977 1.770 1.00 0.43 H new ATOM 430 N ARG A 30 15.822 8.951 -2.961 1.00 0.35 N ATOM 431 CA ARG A 30 15.605 9.134 -4.391 1.00 0.40 C ATOM 432 C ARG A 30 16.112 7.926 -5.171 1.00 0.40 C ATOM 433 O ARG A 30 15.865 7.798 -6.371 1.00 0.52 O ATOM 434 CB ARG A 30 16.308 10.405 -4.871 1.00 0.46 C ATOM 435 CG ARG A 30 15.884 11.650 -4.110 1.00 0.50 C ATOM 436 CD ARG A 30 16.765 12.842 -4.449 1.00 0.73 C ATOM 437 NE ARG A 30 16.440 14.008 -3.631 1.00 1.71 N ATOM 438 CZ ARG A 30 17.268 14.531 -2.730 1.00 2.26 C ATOM 439 NH1 ARG A 30 18.466 13.995 -2.534 1.00 2.04 N ATOM 440 NH2 ARG A 30 16.899 15.591 -2.024 1.00 3.39 N ATOM 0 H ARG A 30 16.518 9.578 -2.557 1.00 0.35 H new ATOM 0 HA ARG A 30 14.534 9.233 -4.568 1.00 0.40 H new ATOM 0 HB2 ARG A 30 17.386 10.276 -4.771 1.00 0.46 H new ATOM 0 HB3 ARG A 30 16.101 10.548 -5.932 1.00 0.46 H new ATOM 0 HG2 ARG A 30 14.846 11.885 -4.346 1.00 0.50 H new ATOM 0 HG3 ARG A 30 15.931 11.456 -3.039 1.00 0.50 H new ATOM 0 HD2 ARG A 30 17.811 12.574 -4.301 1.00 0.73 H new ATOM 0 HD3 ARG A 30 16.647 13.093 -5.503 1.00 0.73 H new ATOM 0 HE ARG A 30 15.527 14.446 -3.758 1.00 1.71 H new ATOM 0 HH11 ARG A 30 18.755 13.180 -3.075 1.00 2.04 H new ATOM 0 HH12 ARG A 30 19.098 14.398 -1.843 1.00 2.04 H new ATOM 0 HH21 ARG A 30 15.979 16.007 -2.171 1.00 3.39 H new ATOM 0 HH22 ARG A 30 17.535 15.991 -1.334 1.00 3.39 H new ATOM 454 N GLU A 31 16.823 7.042 -4.477 1.00 0.33 N ATOM 455 CA GLU A 31 17.369 5.841 -5.095 1.00 0.36 C ATOM 456 C GLU A 31 16.608 4.603 -4.636 1.00 0.31 C ATOM 457 O GLU A 31 16.782 3.516 -5.187 1.00 0.33 O ATOM 458 CB GLU A 31 18.847 5.685 -4.746 1.00 0.42 C ATOM 459 CG GLU A 31 19.574 7.002 -4.529 1.00 0.52 C ATOM 460 CD GLU A 31 19.595 7.871 -5.771 1.00 1.10 C ATOM 461 OE1 GLU A 31 20.459 7.641 -6.643 1.00 1.12 O ATOM 462 OE2 GLU A 31 18.744 8.780 -5.875 1.00 2.01 O ATOM 0 H GLU A 31 17.034 7.137 -3.484 1.00 0.33 H new ATOM 0 HA GLU A 31 17.263 5.943 -6.175 1.00 0.36 H new ATOM 0 HB2 GLU A 31 18.935 5.081 -3.843 1.00 0.42 H new ATOM 0 HB3 GLU A 31 19.343 5.136 -5.547 1.00 0.42 H new ATOM 0 HG2 GLU A 31 19.094 7.548 -3.717 1.00 0.52 H new ATOM 0 HG3 GLU A 31 20.598 6.799 -4.215 1.00 0.52 H new ATOM 469 N LEU A 32 15.763 4.773 -3.621 1.00 0.31 N ATOM 470 CA LEU A 32 14.983 3.663 -3.084 1.00 0.33 C ATOM 471 C LEU A 32 14.105 3.032 -4.154 1.00 0.29 C ATOM 472 O LEU A 32 14.140 1.823 -4.345 1.00 0.29 O ATOM 473 CB LEU A 32 14.117 4.119 -1.910 1.00 0.40 C ATOM 474 CG LEU A 32 13.153 3.056 -1.366 1.00 0.57 C ATOM 475 CD1 LEU A 32 13.905 1.797 -0.958 1.00 1.39 C ATOM 476 CD2 LEU A 32 12.365 3.604 -0.189 1.00 1.39 C ATOM 0 H LEU A 32 15.602 5.666 -3.156 1.00 0.31 H new ATOM 0 HA LEU A 32 15.692 2.914 -2.731 1.00 0.33 H new ATOM 0 HB2 LEU A 32 14.770 4.444 -1.100 1.00 0.40 H new ATOM 0 HB3 LEU A 32 13.538 4.988 -2.221 1.00 0.40 H new ATOM 0 HG LEU A 32 12.456 2.794 -2.162 1.00 0.57 H new ATOM 0 HD11 LEU A 32 13.199 1.059 -0.576 1.00 1.39 H new ATOM 0 HD12 LEU A 32 14.425 1.387 -1.824 1.00 1.39 H new ATOM 0 HD13 LEU A 32 14.630 2.042 -0.182 1.00 1.39 H new ATOM 0 HD21 LEU A 32 11.687 2.836 0.184 1.00 1.39 H new ATOM 0 HD22 LEU A 32 13.053 3.897 0.604 1.00 1.39 H new ATOM 0 HD23 LEU A 32 11.789 4.472 -0.509 1.00 1.39 H new ATOM 488 N GLY A 33 13.314 3.851 -4.841 1.00 0.33 N ATOM 489 CA GLY A 33 12.441 3.329 -5.880 1.00 0.35 C ATOM 490 C GLY A 33 13.174 2.414 -6.841 1.00 0.33 C ATOM 491 O GLY A 33 12.709 1.312 -7.130 1.00 0.41 O ATOM 0 H GLY A 33 13.261 4.860 -4.699 1.00 0.33 H new ATOM 0 HA2 GLY A 33 11.617 2.784 -5.419 1.00 0.35 H new ATOM 0 HA3 GLY A 33 12.003 4.159 -6.435 1.00 0.35 H new ATOM 495 N THR A 34 14.321 2.870 -7.337 1.00 0.30 N ATOM 496 CA THR A 34 15.122 2.071 -8.254 1.00 0.31 C ATOM 497 C THR A 34 15.579 0.791 -7.566 1.00 0.27 C ATOM 498 O THR A 34 15.700 -0.261 -8.193 1.00 0.30 O ATOM 499 CB THR A 34 16.355 2.849 -8.752 1.00 0.37 C ATOM 500 OG1 THR A 34 15.946 4.094 -9.331 1.00 0.42 O ATOM 501 CG2 THR A 34 17.127 2.038 -9.779 1.00 0.41 C ATOM 0 H THR A 34 14.714 3.786 -7.119 1.00 0.30 H new ATOM 0 HA THR A 34 14.498 1.829 -9.114 1.00 0.31 H new ATOM 0 HB THR A 34 17.006 3.040 -7.899 1.00 0.37 H new ATOM 0 HG1 THR A 34 16.735 4.584 -9.644 1.00 0.42 H new ATOM 0 HG21 THR A 34 17.993 2.608 -10.116 1.00 0.41 H new ATOM 0 HG22 THR A 34 17.460 1.103 -9.328 1.00 0.41 H new ATOM 0 HG23 THR A 34 16.482 1.821 -10.630 1.00 0.41 H new ATOM 509 N LEU A 35 15.825 0.899 -6.264 1.00 0.27 N ATOM 510 CA LEU A 35 16.257 -0.234 -5.456 1.00 0.30 C ATOM 511 C LEU A 35 15.130 -1.253 -5.339 1.00 0.31 C ATOM 512 O LEU A 35 15.361 -2.461 -5.308 1.00 0.37 O ATOM 513 CB LEU A 35 16.646 0.252 -4.057 1.00 0.35 C ATOM 514 CG LEU A 35 17.901 -0.374 -3.446 1.00 0.50 C ATOM 515 CD1 LEU A 35 18.024 0.033 -1.984 1.00 1.23 C ATOM 516 CD2 LEU A 35 17.881 -1.891 -3.581 1.00 1.25 C ATOM 0 H LEU A 35 15.731 1.770 -5.742 1.00 0.27 H new ATOM 0 HA LEU A 35 17.117 -0.703 -5.935 1.00 0.30 H new ATOM 0 HB2 LEU A 35 16.787 1.332 -4.097 1.00 0.35 H new ATOM 0 HB3 LEU A 35 15.809 0.065 -3.385 1.00 0.35 H new ATOM 0 HG LEU A 35 18.770 -0.005 -3.991 1.00 0.50 H new ATOM 0 HD11 LEU A 35 18.920 -0.416 -1.555 1.00 1.23 H new ATOM 0 HD12 LEU A 35 18.093 1.118 -1.913 1.00 1.23 H new ATOM 0 HD13 LEU A 35 17.147 -0.311 -1.435 1.00 1.23 H new ATOM 0 HD21 LEU A 35 18.785 -2.308 -3.138 1.00 1.25 H new ATOM 0 HD22 LEU A 35 17.007 -2.291 -3.066 1.00 1.25 H new ATOM 0 HD23 LEU A 35 17.836 -2.162 -4.636 1.00 1.25 H new ATOM 528 N MET A 36 13.906 -0.741 -5.278 1.00 0.35 N ATOM 529 CA MET A 36 12.720 -1.574 -5.149 1.00 0.43 C ATOM 530 C MET A 36 12.321 -2.172 -6.495 1.00 0.43 C ATOM 531 O MET A 36 11.568 -3.142 -6.550 1.00 0.54 O ATOM 532 CB MET A 36 11.569 -0.748 -4.565 1.00 0.56 C ATOM 533 CG MET A 36 11.911 -0.095 -3.231 1.00 0.59 C ATOM 534 SD MET A 36 10.497 0.717 -2.463 1.00 1.21 S ATOM 535 CE MET A 36 9.707 -0.672 -1.654 1.00 0.72 C ATOM 0 H MET A 36 13.710 0.259 -5.317 1.00 0.35 H new ATOM 0 HA MET A 36 12.946 -2.399 -4.473 1.00 0.43 H new ATOM 0 HB2 MET A 36 11.288 0.026 -5.279 1.00 0.56 H new ATOM 0 HB3 MET A 36 10.699 -1.392 -4.434 1.00 0.56 H new ATOM 0 HG2 MET A 36 12.302 -0.852 -2.551 1.00 0.59 H new ATOM 0 HG3 MET A 36 12.705 0.636 -3.383 1.00 0.59 H new ATOM 0 HE1 MET A 36 8.627 -0.525 -1.651 1.00 0.72 H new ATOM 0 HE2 MET A 36 9.947 -1.590 -2.191 1.00 0.72 H new ATOM 0 HE3 MET A 36 10.066 -0.747 -0.628 1.00 0.72 H new ATOM 545 N ARG A 37 12.827 -1.589 -7.577 1.00 0.42 N ATOM 546 CA ARG A 37 12.530 -2.085 -8.916 1.00 0.47 C ATOM 547 C ARG A 37 13.385 -3.307 -9.228 1.00 0.43 C ATOM 548 O ARG A 37 12.888 -4.317 -9.727 1.00 0.47 O ATOM 549 CB ARG A 37 12.766 -0.994 -9.963 1.00 0.55 C ATOM 550 CG ARG A 37 11.753 0.131 -9.915 1.00 0.95 C ATOM 551 CD ARG A 37 12.215 1.312 -10.747 1.00 1.20 C ATOM 552 NE ARG A 37 12.159 1.032 -12.178 1.00 1.99 N ATOM 553 CZ ARG A 37 12.183 1.976 -13.115 1.00 2.52 C ATOM 554 NH1 ARG A 37 12.255 3.255 -12.771 1.00 2.46 N ATOM 555 NH2 ARG A 37 12.137 1.641 -14.397 1.00 3.51 N ATOM 0 H ARG A 37 13.442 -0.776 -7.553 1.00 0.42 H new ATOM 0 HA ARG A 37 11.479 -2.372 -8.949 1.00 0.47 H new ATOM 0 HB2 ARG A 37 13.764 -0.578 -9.822 1.00 0.55 H new ATOM 0 HB3 ARG A 37 12.746 -1.445 -10.955 1.00 0.55 H new ATOM 0 HG2 ARG A 37 10.791 -0.225 -10.284 1.00 0.95 H new ATOM 0 HG3 ARG A 37 11.602 0.446 -8.882 1.00 0.95 H new ATOM 0 HD2 ARG A 37 11.592 2.178 -10.523 1.00 1.20 H new ATOM 0 HD3 ARG A 37 13.236 1.573 -10.469 1.00 1.20 H new ATOM 0 HE ARG A 37 12.098 0.059 -12.476 1.00 1.99 H new ATOM 0 HH11 ARG A 37 12.292 3.517 -11.786 1.00 2.46 H new ATOM 0 HH12 ARG A 37 12.273 3.977 -13.492 1.00 2.46 H new ATOM 0 HH21 ARG A 37 12.083 0.659 -14.666 1.00 3.51 H new ATOM 0 HH22 ARG A 37 12.155 2.366 -15.114 1.00 3.51 H new ATOM 569 N THR A 38 14.677 -3.206 -8.928 1.00 0.39 N ATOM 570 CA THR A 38 15.607 -4.304 -9.160 1.00 0.39 C ATOM 571 C THR A 38 15.340 -5.453 -8.194 1.00 0.36 C ATOM 572 O THR A 38 15.841 -6.563 -8.375 1.00 0.39 O ATOM 573 CB THR A 38 17.074 -3.848 -9.021 1.00 0.40 C ATOM 574 OG1 THR A 38 17.941 -4.987 -8.989 1.00 0.46 O ATOM 575 CG2 THR A 38 17.273 -3.018 -7.764 1.00 0.32 C ATOM 0 H THR A 38 15.103 -2.373 -8.523 1.00 0.39 H new ATOM 0 HA THR A 38 15.447 -4.646 -10.183 1.00 0.39 H new ATOM 0 HB THR A 38 17.318 -3.229 -9.884 1.00 0.40 H new ATOM 0 HG1 THR A 38 17.409 -5.806 -9.074 1.00 0.46 H new ATOM 0 HG21 THR A 38 18.316 -2.711 -7.692 1.00 0.32 H new ATOM 0 HG22 THR A 38 16.636 -2.134 -7.807 1.00 0.32 H new ATOM 0 HG23 THR A 38 17.009 -3.613 -6.890 1.00 0.32 H new ATOM 583 N LEU A 39 14.544 -5.174 -7.166 1.00 0.33 N ATOM 584 CA LEU A 39 14.199 -6.172 -6.158 1.00 0.34 C ATOM 585 C LEU A 39 12.713 -6.519 -6.225 1.00 0.40 C ATOM 586 O LEU A 39 11.906 -5.735 -6.725 1.00 0.43 O ATOM 587 CB LEU A 39 14.552 -5.665 -4.758 1.00 0.32 C ATOM 588 CG LEU A 39 15.982 -5.955 -4.292 1.00 0.44 C ATOM 589 CD1 LEU A 39 16.996 -5.141 -5.081 1.00 1.05 C ATOM 590 CD2 LEU A 39 16.114 -5.667 -2.808 1.00 1.15 C ATOM 0 H LEU A 39 14.123 -4.258 -7.008 1.00 0.33 H new ATOM 0 HA LEU A 39 14.777 -7.073 -6.364 1.00 0.34 H new ATOM 0 HB2 LEU A 39 14.391 -4.587 -4.730 1.00 0.32 H new ATOM 0 HB3 LEU A 39 13.859 -6.110 -4.044 1.00 0.32 H new ATOM 0 HG LEU A 39 16.190 -7.010 -4.471 1.00 0.44 H new ATOM 0 HD11 LEU A 39 18.001 -5.369 -4.726 1.00 1.05 H new ATOM 0 HD12 LEU A 39 16.919 -5.391 -6.139 1.00 1.05 H new ATOM 0 HD13 LEU A 39 16.796 -4.078 -4.944 1.00 1.05 H new ATOM 0 HD21 LEU A 39 17.134 -5.876 -2.486 1.00 1.15 H new ATOM 0 HD22 LEU A 39 15.881 -4.619 -2.619 1.00 1.15 H new ATOM 0 HD23 LEU A 39 15.421 -6.299 -2.252 1.00 1.15 H new ATOM 602 N GLY A 40 12.370 -7.706 -5.729 1.00 0.45 N ATOM 603 CA GLY A 40 10.989 -8.166 -5.738 1.00 0.52 C ATOM 604 C GLY A 40 9.983 -7.111 -5.310 1.00 0.49 C ATOM 605 O GLY A 40 8.815 -7.176 -5.695 1.00 0.64 O ATOM 0 H GLY A 40 13.031 -8.364 -5.317 1.00 0.45 H new ATOM 0 HA2 GLY A 40 10.737 -8.507 -6.742 1.00 0.52 H new ATOM 0 HA3 GLY A 40 10.900 -9.028 -5.077 1.00 0.52 H new ATOM 609 N GLN A 41 10.424 -6.140 -4.514 1.00 0.46 N ATOM 610 CA GLN A 41 9.539 -5.075 -4.045 1.00 0.44 C ATOM 611 C GLN A 41 8.868 -4.368 -5.220 1.00 0.48 C ATOM 612 O GLN A 41 9.353 -4.429 -6.349 1.00 1.01 O ATOM 613 CB GLN A 41 10.320 -4.065 -3.202 1.00 0.48 C ATOM 614 CG GLN A 41 10.685 -4.577 -1.820 1.00 0.54 C ATOM 615 CD GLN A 41 11.888 -3.873 -1.245 1.00 1.55 C ATOM 616 OE1 GLN A 41 11.763 -2.861 -0.555 1.00 2.37 O ATOM 617 NE2 GLN A 41 13.065 -4.411 -1.530 1.00 2.20 N ATOM 0 H GLN A 41 11.385 -6.068 -4.181 1.00 0.46 H new ATOM 0 HA GLN A 41 8.764 -5.528 -3.427 1.00 0.44 H new ATOM 0 HB2 GLN A 41 11.233 -3.792 -3.731 1.00 0.48 H new ATOM 0 HB3 GLN A 41 9.727 -3.156 -3.098 1.00 0.48 H new ATOM 0 HG2 GLN A 41 9.835 -4.444 -1.150 1.00 0.54 H new ATOM 0 HG3 GLN A 41 10.885 -5.647 -1.873 1.00 0.54 H new ATOM 0 HE21 GLN A 41 13.116 -5.251 -2.107 1.00 2.20 H new ATOM 0 HE22 GLN A 41 13.920 -3.985 -1.173 1.00 2.20 H new ATOM 626 N ASN A 42 7.749 -3.701 -4.947 1.00 0.52 N ATOM 627 CA ASN A 42 7.013 -2.983 -5.982 1.00 0.53 C ATOM 628 C ASN A 42 5.866 -2.171 -5.379 1.00 0.51 C ATOM 629 O ASN A 42 4.696 -2.514 -5.552 1.00 0.59 O ATOM 630 CB ASN A 42 6.470 -3.962 -7.026 1.00 0.66 C ATOM 631 CG ASN A 42 5.799 -5.170 -6.400 1.00 1.27 C ATOM 632 OD1 ASN A 42 5.245 -5.090 -5.303 1.00 2.15 O ATOM 633 ND2 ASN A 42 5.846 -6.300 -7.096 1.00 1.71 N ATOM 0 H ASN A 42 7.333 -3.643 -4.017 1.00 0.52 H new ATOM 0 HA ASN A 42 7.703 -2.292 -6.467 1.00 0.53 H new ATOM 0 HB2 ASN A 42 5.755 -3.445 -7.666 1.00 0.66 H new ATOM 0 HB3 ASN A 42 7.287 -4.296 -7.665 1.00 0.66 H new ATOM 0 HD21 ASN A 42 5.413 -7.146 -6.725 1.00 1.71 H new ATOM 0 HD22 ASN A 42 6.315 -6.322 -8.001 1.00 1.71 H new ATOM 640 N PRO A 43 6.187 -1.077 -4.662 1.00 0.47 N ATOM 641 CA PRO A 43 5.176 -0.216 -4.037 1.00 0.54 C ATOM 642 C PRO A 43 4.448 0.651 -5.056 1.00 0.54 C ATOM 643 O PRO A 43 4.892 0.790 -6.197 1.00 0.64 O ATOM 644 CB PRO A 43 6.008 0.662 -3.104 1.00 0.53 C ATOM 645 CG PRO A 43 7.322 0.765 -3.791 1.00 0.46 C ATOM 646 CD PRO A 43 7.557 -0.589 -4.399 1.00 0.45 C ATOM 0 HA PRO A 43 4.396 -0.791 -3.537 1.00 0.54 H new ATOM 0 HB2 PRO A 43 5.552 1.642 -2.965 1.00 0.53 H new ATOM 0 HB3 PRO A 43 6.108 0.213 -2.116 1.00 0.53 H new ATOM 0 HG2 PRO A 43 7.307 1.542 -4.555 1.00 0.46 H new ATOM 0 HG3 PRO A 43 8.114 1.024 -3.089 1.00 0.46 H new ATOM 0 HD2 PRO A 43 8.145 -0.524 -5.314 1.00 0.45 H new ATOM 0 HD3 PRO A 43 8.097 -1.248 -3.720 1.00 0.45 H new ATOM 654 N THR A 44 3.327 1.232 -4.640 1.00 0.59 N ATOM 655 CA THR A 44 2.551 2.100 -5.516 1.00 0.65 C ATOM 656 C THR A 44 3.259 3.438 -5.686 1.00 0.57 C ATOM 657 O THR A 44 3.807 3.974 -4.724 1.00 0.51 O ATOM 658 CB THR A 44 1.131 2.336 -4.965 1.00 0.78 C ATOM 659 OG1 THR A 44 0.471 1.082 -4.760 1.00 1.05 O ATOM 660 CG2 THR A 44 0.313 3.194 -5.920 1.00 1.02 C ATOM 0 H THR A 44 2.937 1.117 -3.704 1.00 0.59 H new ATOM 0 HA THR A 44 2.464 1.603 -6.482 1.00 0.65 H new ATOM 0 HB THR A 44 1.218 2.862 -4.014 1.00 0.78 H new ATOM 0 HG1 THR A 44 -0.430 1.240 -4.408 1.00 1.05 H new ATOM 0 HG21 THR A 44 -0.685 3.346 -5.509 1.00 1.02 H new ATOM 0 HG22 THR A 44 0.802 4.159 -6.052 1.00 1.02 H new ATOM 0 HG23 THR A 44 0.235 2.692 -6.884 1.00 1.02 H new ATOM 668 N GLU A 45 3.254 3.969 -6.906 1.00 0.61 N ATOM 669 CA GLU A 45 3.915 5.241 -7.194 1.00 0.61 C ATOM 670 C GLU A 45 3.674 6.264 -6.087 1.00 0.60 C ATOM 671 O GLU A 45 4.619 6.856 -5.563 1.00 0.56 O ATOM 672 CB GLU A 45 3.439 5.800 -8.535 1.00 0.75 C ATOM 673 CG GLU A 45 3.878 4.964 -9.727 1.00 1.33 C ATOM 674 CD GLU A 45 3.574 5.634 -11.052 1.00 2.16 C ATOM 675 OE1 GLU A 45 2.467 5.413 -11.588 1.00 2.69 O ATOM 676 OE2 GLU A 45 4.440 6.381 -11.553 1.00 2.64 O ATOM 0 H GLU A 45 2.800 3.539 -7.712 1.00 0.61 H new ATOM 0 HA GLU A 45 4.987 5.048 -7.246 1.00 0.61 H new ATOM 0 HB2 GLU A 45 2.351 5.866 -8.527 1.00 0.75 H new ATOM 0 HB3 GLU A 45 3.819 6.815 -8.653 1.00 0.75 H new ATOM 0 HG2 GLU A 45 4.949 4.773 -9.658 1.00 1.33 H new ATOM 0 HG3 GLU A 45 3.379 3.996 -9.691 1.00 1.33 H new ATOM 683 N ALA A 46 2.410 6.459 -5.727 1.00 0.66 N ATOM 684 CA ALA A 46 2.051 7.411 -4.682 1.00 0.70 C ATOM 685 C ALA A 46 2.770 7.095 -3.375 1.00 0.64 C ATOM 686 O ALA A 46 3.438 7.954 -2.804 1.00 0.66 O ATOM 687 CB ALA A 46 0.547 7.420 -4.465 1.00 0.83 C ATOM 0 H ALA A 46 1.617 5.971 -6.143 1.00 0.66 H new ATOM 0 HA ALA A 46 2.366 8.401 -5.011 1.00 0.70 H new ATOM 0 HB1 ALA A 46 0.297 8.136 -3.682 1.00 0.83 H new ATOM 0 HB2 ALA A 46 0.048 7.705 -5.391 1.00 0.83 H new ATOM 0 HB3 ALA A 46 0.217 6.425 -4.166 1.00 0.83 H new ATOM 693 N GLU A 47 2.629 5.856 -2.910 1.00 0.62 N ATOM 694 CA GLU A 47 3.260 5.423 -1.665 1.00 0.62 C ATOM 695 C GLU A 47 4.763 5.689 -1.684 1.00 0.50 C ATOM 696 O GLU A 47 5.325 6.192 -0.712 1.00 0.48 O ATOM 697 CB GLU A 47 2.998 3.935 -1.432 1.00 0.69 C ATOM 698 CG GLU A 47 3.644 3.392 -0.167 1.00 0.75 C ATOM 699 CD GLU A 47 3.390 1.909 0.026 1.00 1.31 C ATOM 700 OE1 GLU A 47 4.185 1.099 -0.495 1.00 2.23 O ATOM 701 OE2 GLU A 47 2.397 1.559 0.697 1.00 1.34 O ATOM 0 H GLU A 47 2.082 5.133 -3.377 1.00 0.62 H new ATOM 0 HA GLU A 47 2.823 5.999 -0.849 1.00 0.62 H new ATOM 0 HB2 GLU A 47 1.922 3.768 -1.380 1.00 0.69 H new ATOM 0 HB3 GLU A 47 3.367 3.371 -2.289 1.00 0.69 H new ATOM 0 HG2 GLU A 47 4.718 3.571 -0.206 1.00 0.75 H new ATOM 0 HG3 GLU A 47 3.261 3.938 0.695 1.00 0.75 H new ATOM 708 N LEU A 48 5.405 5.347 -2.796 1.00 0.45 N ATOM 709 CA LEU A 48 6.842 5.546 -2.942 1.00 0.39 C ATOM 710 C LEU A 48 7.199 7.023 -2.812 1.00 0.35 C ATOM 711 O LEU A 48 8.226 7.377 -2.234 1.00 0.34 O ATOM 712 CB LEU A 48 7.311 5.008 -4.293 1.00 0.40 C ATOM 713 CG LEU A 48 8.613 4.204 -4.260 1.00 0.66 C ATOM 714 CD1 LEU A 48 8.940 3.671 -5.646 1.00 1.42 C ATOM 715 CD2 LEU A 48 9.758 5.054 -3.731 1.00 1.39 C ATOM 0 H LEU A 48 4.952 4.930 -3.610 1.00 0.45 H new ATOM 0 HA LEU A 48 7.348 5.000 -2.146 1.00 0.39 H new ATOM 0 HB2 LEU A 48 6.524 4.378 -4.708 1.00 0.40 H new ATOM 0 HB3 LEU A 48 7.439 5.848 -4.976 1.00 0.40 H new ATOM 0 HG LEU A 48 8.478 3.359 -3.585 1.00 0.66 H new ATOM 0 HD11 LEU A 48 9.868 3.101 -5.607 1.00 1.42 H new ATOM 0 HD12 LEU A 48 8.132 3.024 -5.987 1.00 1.42 H new ATOM 0 HD13 LEU A 48 9.055 4.505 -6.339 1.00 1.42 H new ATOM 0 HD21 LEU A 48 10.673 4.463 -3.716 1.00 1.39 H new ATOM 0 HD22 LEU A 48 9.896 5.921 -4.377 1.00 1.39 H new ATOM 0 HD23 LEU A 48 9.526 5.389 -2.720 1.00 1.39 H new ATOM 727 N GLN A 49 6.336 7.880 -3.346 1.00 0.45 N ATOM 728 CA GLN A 49 6.551 9.322 -3.297 1.00 0.52 C ATOM 729 C GLN A 49 6.259 9.875 -1.906 1.00 0.54 C ATOM 730 O GLN A 49 6.871 10.852 -1.475 1.00 0.58 O ATOM 731 CB GLN A 49 5.660 10.020 -4.322 1.00 0.67 C ATOM 732 CG GLN A 49 5.992 9.664 -5.763 1.00 0.70 C ATOM 733 CD GLN A 49 7.384 10.110 -6.167 1.00 0.77 C ATOM 734 OE1 GLN A 49 7.899 11.109 -5.666 1.00 1.21 O ATOM 735 NE2 GLN A 49 8.001 9.368 -7.078 1.00 1.02 N ATOM 0 H GLN A 49 5.477 7.600 -3.820 1.00 0.45 H new ATOM 0 HA GLN A 49 7.598 9.514 -3.532 1.00 0.52 H new ATOM 0 HB2 GLN A 49 4.620 9.760 -4.123 1.00 0.67 H new ATOM 0 HB3 GLN A 49 5.749 11.099 -4.194 1.00 0.67 H new ATOM 0 HG2 GLN A 49 5.907 8.585 -5.896 1.00 0.70 H new ATOM 0 HG3 GLN A 49 5.260 10.126 -6.426 1.00 0.70 H new ATOM 0 HE21 GLN A 49 7.537 8.547 -7.467 1.00 1.02 H new ATOM 0 HE22 GLN A 49 8.940 9.618 -7.389 1.00 1.02 H new ATOM 744 N ASP A 50 5.318 9.245 -1.210 1.00 0.59 N ATOM 745 CA ASP A 50 4.938 9.679 0.129 1.00 0.68 C ATOM 746 C ASP A 50 6.060 9.415 1.122 1.00 0.59 C ATOM 747 O ASP A 50 6.308 10.218 2.022 1.00 0.57 O ATOM 748 CB ASP A 50 3.664 8.966 0.584 1.00 0.88 C ATOM 749 CG ASP A 50 2.424 9.493 -0.111 1.00 1.05 C ATOM 750 OD1 ASP A 50 2.058 10.661 0.136 1.00 1.09 O ATOM 751 OD2 ASP A 50 1.818 8.739 -0.901 1.00 1.19 O ATOM 0 H ASP A 50 4.805 8.432 -1.551 1.00 0.59 H new ATOM 0 HA ASP A 50 4.749 10.752 0.093 1.00 0.68 H new ATOM 0 HB2 ASP A 50 3.760 7.898 0.389 1.00 0.88 H new ATOM 0 HB3 ASP A 50 3.550 9.084 1.662 1.00 0.88 H new ATOM 756 N LEU A 51 6.734 8.285 0.954 1.00 0.60 N ATOM 757 CA LEU A 51 7.830 7.918 1.834 1.00 0.64 C ATOM 758 C LEU A 51 9.033 8.817 1.576 1.00 0.54 C ATOM 759 O LEU A 51 9.707 9.263 2.510 1.00 0.64 O ATOM 760 CB LEU A 51 8.197 6.441 1.629 1.00 0.76 C ATOM 761 CG LEU A 51 9.291 6.167 0.592 1.00 0.40 C ATOM 762 CD1 LEU A 51 10.652 6.097 1.259 1.00 0.86 C ATOM 763 CD2 LEU A 51 9.006 4.884 -0.162 1.00 0.84 C ATOM 0 H LEU A 51 6.539 7.608 0.216 1.00 0.60 H new ATOM 0 HA LEU A 51 7.518 8.054 2.869 1.00 0.64 H new ATOM 0 HB2 LEU A 51 8.517 6.029 2.586 1.00 0.76 H new ATOM 0 HB3 LEU A 51 7.298 5.900 1.334 1.00 0.76 H new ATOM 0 HG LEU A 51 9.297 6.991 -0.122 1.00 0.40 H new ATOM 0 HD11 LEU A 51 11.416 5.902 0.507 1.00 0.86 H new ATOM 0 HD12 LEU A 51 10.864 7.045 1.754 1.00 0.86 H new ATOM 0 HD13 LEU A 51 10.655 5.294 1.996 1.00 0.86 H new ATOM 0 HD21 LEU A 51 9.795 4.709 -0.893 1.00 0.84 H new ATOM 0 HD22 LEU A 51 8.969 4.050 0.539 1.00 0.84 H new ATOM 0 HD23 LEU A 51 8.048 4.969 -0.675 1.00 0.84 H new ATOM 775 N ILE A 52 9.286 9.095 0.299 1.00 0.44 N ATOM 776 CA ILE A 52 10.403 9.939 -0.085 1.00 0.48 C ATOM 777 C ILE A 52 10.154 11.377 0.338 1.00 0.53 C ATOM 778 O ILE A 52 11.086 12.110 0.637 1.00 0.68 O ATOM 779 CB ILE A 52 10.653 9.911 -1.604 1.00 0.48 C ATOM 780 CG1 ILE A 52 11.062 8.506 -2.052 1.00 0.48 C ATOM 781 CG2 ILE A 52 11.717 10.934 -1.987 1.00 0.67 C ATOM 782 CD1 ILE A 52 11.150 8.349 -3.555 1.00 0.54 C ATOM 0 H ILE A 52 8.731 8.746 -0.482 1.00 0.44 H new ATOM 0 HA ILE A 52 11.283 9.543 0.422 1.00 0.48 H new ATOM 0 HB ILE A 52 9.727 10.175 -2.115 1.00 0.48 H new ATOM 0 HG12 ILE A 52 12.029 8.261 -1.613 1.00 0.48 H new ATOM 0 HG13 ILE A 52 10.343 7.786 -1.662 1.00 0.48 H new ATOM 0 HG21 ILE A 52 11.882 10.902 -3.064 1.00 0.67 H new ATOM 0 HG22 ILE A 52 11.383 11.931 -1.701 1.00 0.67 H new ATOM 0 HG23 ILE A 52 12.648 10.701 -1.470 1.00 0.67 H new ATOM 0 HD11 ILE A 52 11.445 7.328 -3.798 1.00 0.54 H new ATOM 0 HD12 ILE A 52 10.178 8.562 -4.001 1.00 0.54 H new ATOM 0 HD13 ILE A 52 11.890 9.044 -3.951 1.00 0.54 H new ATOM 794 N ALA A 53 8.884 11.770 0.351 1.00 0.50 N ATOM 795 CA ALA A 53 8.503 13.127 0.721 1.00 0.60 C ATOM 796 C ALA A 53 8.695 13.377 2.213 1.00 0.64 C ATOM 797 O ALA A 53 9.092 14.468 2.622 1.00 0.73 O ATOM 798 CB ALA A 53 7.060 13.390 0.321 1.00 0.67 C ATOM 0 H ALA A 53 8.100 11.165 0.109 1.00 0.50 H new ATOM 0 HA ALA A 53 9.155 13.817 0.185 1.00 0.60 H new ATOM 0 HB1 ALA A 53 6.784 14.407 0.602 1.00 0.67 H new ATOM 0 HB2 ALA A 53 6.954 13.269 -0.757 1.00 0.67 H new ATOM 0 HB3 ALA A 53 6.406 12.683 0.831 1.00 0.67 H new ATOM 804 N GLU A 54 8.413 12.362 3.022 1.00 0.63 N ATOM 805 CA GLU A 54 8.556 12.478 4.470 1.00 0.72 C ATOM 806 C GLU A 54 10.019 12.667 4.858 1.00 0.66 C ATOM 807 O GLU A 54 10.366 13.607 5.573 1.00 0.72 O ATOM 808 CB GLU A 54 7.988 11.236 5.159 1.00 0.81 C ATOM 809 CG GLU A 54 7.948 11.346 6.675 1.00 1.18 C ATOM 810 CD GLU A 54 7.391 10.099 7.334 1.00 1.71 C ATOM 811 OE1 GLU A 54 6.155 9.913 7.303 1.00 1.82 O ATOM 812 OE2 GLU A 54 8.189 9.308 7.879 1.00 2.45 O ATOM 0 H GLU A 54 8.085 11.451 2.701 1.00 0.63 H new ATOM 0 HA GLU A 54 7.997 13.354 4.798 1.00 0.72 H new ATOM 0 HB2 GLU A 54 6.979 11.055 4.789 1.00 0.81 H new ATOM 0 HB3 GLU A 54 8.589 10.370 4.882 1.00 0.81 H new ATOM 0 HG2 GLU A 54 8.955 11.532 7.049 1.00 1.18 H new ATOM 0 HG3 GLU A 54 7.339 12.205 6.958 1.00 1.18 H new ATOM 819 N ALA A 55 10.872 11.766 4.381 1.00 0.58 N ATOM 820 CA ALA A 55 12.300 11.826 4.676 1.00 0.56 C ATOM 821 C ALA A 55 13.012 12.844 3.788 1.00 0.58 C ATOM 822 O ALA A 55 14.166 13.196 4.036 1.00 0.62 O ATOM 823 CB ALA A 55 12.929 10.450 4.512 1.00 0.56 C ATOM 0 H ALA A 55 10.598 10.983 3.787 1.00 0.58 H new ATOM 0 HA ALA A 55 12.415 12.149 5.711 1.00 0.56 H new ATOM 0 HB1 ALA A 55 13.994 10.508 4.735 1.00 0.56 H new ATOM 0 HB2 ALA A 55 12.453 9.748 5.197 1.00 0.56 H new ATOM 0 HB3 ALA A 55 12.791 10.107 3.487 1.00 0.56 H new ATOM 829 N GLU A 56 12.315 13.298 2.749 1.00 0.59 N ATOM 830 CA GLU A 56 12.869 14.256 1.789 1.00 0.65 C ATOM 831 C GLU A 56 13.656 15.366 2.486 1.00 0.72 C ATOM 832 O GLU A 56 14.829 15.589 2.187 1.00 0.77 O ATOM 833 CB GLU A 56 11.745 14.890 0.964 1.00 0.72 C ATOM 834 CG GLU A 56 12.147 15.253 -0.461 1.00 0.82 C ATOM 835 CD GLU A 56 13.453 16.022 -0.544 1.00 1.52 C ATOM 836 OE1 GLU A 56 14.524 15.388 -0.437 1.00 2.45 O ATOM 837 OE2 GLU A 56 13.406 17.259 -0.703 1.00 1.79 O ATOM 0 H GLU A 56 11.356 13.016 2.547 1.00 0.59 H new ATOM 0 HA GLU A 56 13.547 13.704 1.139 1.00 0.65 H new ATOM 0 HB2 GLU A 56 10.902 14.200 0.928 1.00 0.72 H new ATOM 0 HB3 GLU A 56 11.399 15.790 1.473 1.00 0.72 H new ATOM 0 HG2 GLU A 56 12.234 14.340 -1.049 1.00 0.82 H new ATOM 0 HG3 GLU A 56 11.354 15.849 -0.913 1.00 0.82 H new ATOM 844 N ASN A 57 13.003 16.055 3.421 1.00 0.77 N ATOM 845 CA ASN A 57 13.640 17.157 4.141 1.00 0.88 C ATOM 846 C ASN A 57 13.865 16.815 5.610 1.00 0.82 C ATOM 847 O ASN A 57 14.041 17.707 6.442 1.00 1.21 O ATOM 848 CB ASN A 57 12.782 18.420 4.036 1.00 1.17 C ATOM 849 CG ASN A 57 12.080 18.543 2.695 1.00 1.21 C ATOM 850 OD1 ASN A 57 12.706 18.023 1.645 1.00 1.80 O flip ATOM 851 ND2 ASN A 57 10.986 19.099 2.605 1.00 1.19 N flip ATOM 0 H ASN A 57 12.038 15.871 3.697 1.00 0.77 H new ATOM 0 HA ASN A 57 14.612 17.332 3.680 1.00 0.88 H new ATOM 0 HB2 ASN A 57 12.037 18.415 4.832 1.00 1.17 H new ATOM 0 HB3 ASN A 57 13.411 19.296 4.193 1.00 1.17 H new ATOM 0 HD21 ASN A 57 10.540 19.485 3.437 1.00 1.19 H new ATOM 0 HD22 ASN A 57 10.525 19.174 1.698 1.00 1.19 H new ATOM 858 N ASN A 58 13.858 15.527 5.929 1.00 1.05 N ATOM 859 CA ASN A 58 14.066 15.086 7.303 1.00 1.01 C ATOM 860 C ASN A 58 15.542 14.799 7.556 1.00 0.95 C ATOM 861 O ASN A 58 16.023 14.903 8.685 1.00 1.57 O ATOM 862 CB ASN A 58 13.230 13.838 7.592 1.00 1.04 C ATOM 863 CG ASN A 58 13.206 13.486 9.066 1.00 1.42 C ATOM 864 OD1 ASN A 58 14.033 12.711 9.545 1.00 1.82 O ATOM 865 ND2 ASN A 58 12.255 14.060 9.795 1.00 1.89 N ATOM 0 H ASN A 58 13.711 14.772 5.259 1.00 1.05 H new ATOM 0 HA ASN A 58 13.748 15.885 7.972 1.00 1.01 H new ATOM 0 HB2 ASN A 58 12.210 13.999 7.243 1.00 1.04 H new ATOM 0 HB3 ASN A 58 13.631 12.997 7.027 1.00 1.04 H new ATOM 0 HD21 ASN A 58 12.190 13.864 10.794 1.00 1.89 H new ATOM 0 HD22 ASN A 58 11.590 14.697 9.356 1.00 1.89 H new ATOM 872 N ASN A 59 16.252 14.442 6.489 1.00 0.75 N ATOM 873 CA ASN A 59 17.678 14.135 6.570 1.00 0.73 C ATOM 874 C ASN A 59 18.246 13.893 5.173 1.00 0.84 C ATOM 875 O ASN A 59 18.768 12.820 4.882 1.00 1.76 O ATOM 876 CB ASN A 59 17.906 12.906 7.456 1.00 0.76 C ATOM 877 CG ASN A 59 17.072 11.716 7.020 1.00 0.95 C ATOM 878 OD1 ASN A 59 17.641 10.881 6.161 1.00 1.75 O flip ATOM 879 ND2 ASN A 59 15.933 11.547 7.455 1.00 0.92 N flip ATOM 0 H ASN A 59 15.860 14.358 5.551 1.00 0.75 H new ATOM 0 HA ASN A 59 18.194 14.986 7.014 1.00 0.73 H new ATOM 0 HB2 ASN A 59 18.961 12.635 7.432 1.00 0.76 H new ATOM 0 HB3 ASN A 59 17.665 13.156 8.489 1.00 0.76 H new ATOM 0 HD21 ASN A 59 15.535 12.215 8.115 1.00 0.92 H new ATOM 0 HD22 ASN A 59 15.387 10.739 7.156 1.00 0.92 H new ATOM 886 N ASN A 60 18.126 14.905 4.312 1.00 0.57 N ATOM 887 CA ASN A 60 18.601 14.824 2.929 1.00 0.52 C ATOM 888 C ASN A 60 18.038 13.591 2.233 1.00 0.42 C ATOM 889 O ASN A 60 18.484 13.216 1.148 1.00 0.53 O ATOM 890 CB ASN A 60 20.135 14.821 2.861 1.00 0.58 C ATOM 891 CG ASN A 60 20.755 13.455 3.105 1.00 0.93 C ATOM 892 OD1 ASN A 60 21.173 13.145 4.221 1.00 1.99 O ATOM 893 ND2 ASN A 60 20.824 12.630 2.062 1.00 0.55 N ATOM 0 H ASN A 60 17.699 15.800 4.552 1.00 0.57 H new ATOM 0 HA ASN A 60 18.242 15.712 2.408 1.00 0.52 H new ATOM 0 HB2 ASN A 60 20.447 15.182 1.881 1.00 0.58 H new ATOM 0 HB3 ASN A 60 20.524 15.524 3.598 1.00 0.58 H new ATOM 0 HD21 ASN A 60 21.235 11.703 2.171 1.00 0.55 H new ATOM 0 HD22 ASN A 60 20.466 12.925 1.154 1.00 0.55 H new ATOM 900 N GLY A 61 17.040 12.976 2.856 1.00 0.37 N ATOM 901 CA GLY A 61 16.435 11.790 2.295 1.00 0.33 C ATOM 902 C GLY A 61 17.366 10.596 2.334 1.00 0.27 C ATOM 903 O GLY A 61 17.867 10.169 1.303 1.00 0.33 O ATOM 0 H GLY A 61 16.640 13.281 3.743 1.00 0.37 H new ATOM 0 HA2 GLY A 61 15.523 11.555 2.845 1.00 0.33 H new ATOM 0 HA3 GLY A 61 16.143 11.987 1.263 1.00 0.33 H new ATOM 907 N GLN A 62 17.614 10.074 3.529 1.00 0.29 N ATOM 908 CA GLN A 62 18.482 8.908 3.696 1.00 0.25 C ATOM 909 C GLN A 62 17.710 7.759 4.350 1.00 0.29 C ATOM 910 O GLN A 62 16.794 7.987 5.142 1.00 0.42 O ATOM 911 CB GLN A 62 19.719 9.270 4.530 1.00 0.30 C ATOM 912 CG GLN A 62 20.779 10.035 3.758 1.00 0.31 C ATOM 913 CD GLN A 62 21.569 9.140 2.826 1.00 0.32 C ATOM 914 OE1 GLN A 62 21.111 9.029 1.588 1.00 0.38 O flip ATOM 915 NE2 GLN A 62 22.581 8.558 3.213 1.00 0.54 N flip ATOM 0 H GLN A 62 17.227 10.438 4.400 1.00 0.29 H new ATOM 0 HA GLN A 62 18.818 8.583 2.711 1.00 0.25 H new ATOM 0 HB2 GLN A 62 19.406 9.867 5.387 1.00 0.30 H new ATOM 0 HB3 GLN A 62 20.160 8.354 4.924 1.00 0.30 H new ATOM 0 HG2 GLN A 62 20.304 10.828 3.181 1.00 0.31 H new ATOM 0 HG3 GLN A 62 21.460 10.516 4.460 1.00 0.31 H new ATOM 0 HE21 GLN A 62 22.898 8.672 4.176 1.00 0.54 H new ATOM 0 HE22 GLN A 62 23.103 7.961 2.571 1.00 0.54 H new ATOM 924 N LEU A 63 18.087 6.526 4.017 1.00 0.28 N ATOM 925 CA LEU A 63 17.421 5.340 4.555 1.00 0.37 C ATOM 926 C LEU A 63 18.415 4.424 5.252 1.00 0.27 C ATOM 927 O LEU A 63 19.589 4.387 4.896 1.00 0.23 O ATOM 928 CB LEU A 63 16.740 4.562 3.431 1.00 0.57 C ATOM 929 CG LEU A 63 15.717 5.347 2.614 1.00 0.90 C ATOM 930 CD1 LEU A 63 15.411 4.610 1.321 1.00 1.58 C ATOM 931 CD2 LEU A 63 14.446 5.565 3.421 1.00 1.61 C ATOM 0 H LEU A 63 18.853 6.321 3.375 1.00 0.28 H new ATOM 0 HA LEU A 63 16.678 5.677 5.278 1.00 0.37 H new ATOM 0 HB2 LEU A 63 17.508 4.187 2.755 1.00 0.57 H new ATOM 0 HB3 LEU A 63 16.244 3.693 3.863 1.00 0.57 H new ATOM 0 HG LEU A 63 16.135 6.323 2.369 1.00 0.90 H new ATOM 0 HD11 LEU A 63 14.680 5.176 0.744 1.00 1.58 H new ATOM 0 HD12 LEU A 63 16.326 4.500 0.740 1.00 1.58 H new ATOM 0 HD13 LEU A 63 15.006 3.624 1.551 1.00 1.58 H new ATOM 0 HD21 LEU A 63 13.727 6.126 2.824 1.00 1.61 H new ATOM 0 HD22 LEU A 63 14.017 4.600 3.692 1.00 1.61 H new ATOM 0 HD23 LEU A 63 14.681 6.125 4.326 1.00 1.61 H new ATOM 943 N ASN A 64 17.926 3.650 6.214 1.00 0.31 N ATOM 944 CA ASN A 64 18.778 2.730 6.956 1.00 0.28 C ATOM 945 C ASN A 64 18.412 1.287 6.647 1.00 0.25 C ATOM 946 O ASN A 64 17.295 0.992 6.223 1.00 0.27 O ATOM 947 CB ASN A 64 18.664 2.965 8.460 1.00 0.41 C ATOM 948 CG ASN A 64 18.891 4.404 8.848 1.00 0.53 C ATOM 949 OD1 ASN A 64 19.985 4.781 9.263 1.00 1.34 O ATOM 950 ND2 ASN A 64 17.855 5.216 8.717 1.00 0.95 N ATOM 0 H ASN A 64 16.946 3.641 6.498 1.00 0.31 H new ATOM 0 HA ASN A 64 19.806 2.917 6.645 1.00 0.28 H new ATOM 0 HB2 ASN A 64 17.675 2.655 8.797 1.00 0.41 H new ATOM 0 HB3 ASN A 64 19.389 2.336 8.977 1.00 0.41 H new ATOM 0 HD21 ASN A 64 17.945 6.201 8.965 1.00 0.95 H new ATOM 0 HD22 ASN A 64 16.966 4.857 8.368 1.00 0.95 H new ATOM 957 N PHE A 65 19.373 0.402 6.858 1.00 0.25 N ATOM 958 CA PHE A 65 19.189 -1.025 6.599 1.00 0.26 C ATOM 959 C PHE A 65 17.893 -1.548 7.221 1.00 0.27 C ATOM 960 O PHE A 65 17.306 -2.510 6.728 1.00 0.31 O ATOM 961 CB PHE A 65 20.386 -1.811 7.140 1.00 0.32 C ATOM 962 CG PHE A 65 20.314 -3.290 6.876 1.00 0.30 C ATOM 963 CD1 PHE A 65 20.447 -3.783 5.588 1.00 0.36 C ATOM 964 CD2 PHE A 65 20.110 -4.185 7.915 1.00 0.39 C ATOM 965 CE1 PHE A 65 20.380 -5.141 5.340 1.00 0.44 C ATOM 966 CE2 PHE A 65 20.041 -5.544 7.673 1.00 0.45 C ATOM 967 CZ PHE A 65 20.187 -6.025 6.392 1.00 0.45 C ATOM 0 H PHE A 65 20.298 0.646 7.211 1.00 0.25 H new ATOM 0 HA PHE A 65 19.119 -1.164 5.520 1.00 0.26 H new ATOM 0 HB2 PHE A 65 21.299 -1.416 6.694 1.00 0.32 H new ATOM 0 HB3 PHE A 65 20.460 -1.647 8.215 1.00 0.32 H new ATOM 0 HD1 PHE A 65 20.605 -3.098 4.768 1.00 0.36 H new ATOM 0 HD2 PHE A 65 20.004 -3.816 8.925 1.00 0.39 H new ATOM 0 HE1 PHE A 65 20.478 -5.513 4.331 1.00 0.44 H new ATOM 0 HE2 PHE A 65 19.872 -6.229 8.490 1.00 0.45 H new ATOM 0 HZ PHE A 65 20.151 -7.088 6.206 1.00 0.45 H new ATOM 977 N THR A 66 17.447 -0.907 8.298 1.00 0.28 N ATOM 978 CA THR A 66 16.223 -1.322 8.979 1.00 0.32 C ATOM 979 C THR A 66 14.982 -0.859 8.227 1.00 0.31 C ATOM 980 O THR A 66 13.999 -1.591 8.129 1.00 0.33 O ATOM 981 CB THR A 66 16.156 -0.774 10.415 1.00 0.38 C ATOM 982 OG1 THR A 66 17.420 -0.944 11.067 1.00 0.56 O ATOM 983 CG2 THR A 66 15.072 -1.484 11.212 1.00 0.52 C ATOM 0 H THR A 66 17.912 -0.102 8.717 1.00 0.28 H new ATOM 0 HA THR A 66 16.247 -2.411 9.010 1.00 0.32 H new ATOM 0 HB THR A 66 15.915 0.288 10.363 1.00 0.38 H new ATOM 0 HG1 THR A 66 17.368 -0.591 11.980 1.00 0.56 H new ATOM 0 HG21 THR A 66 15.042 -1.081 12.224 1.00 0.52 H new ATOM 0 HG22 THR A 66 14.106 -1.329 10.731 1.00 0.52 H new ATOM 0 HG23 THR A 66 15.290 -2.551 11.253 1.00 0.52 H new ATOM 991 N GLU A 67 15.026 0.364 7.707 1.00 0.30 N ATOM 992 CA GLU A 67 13.897 0.920 6.969 1.00 0.33 C ATOM 993 C GLU A 67 13.624 0.118 5.702 1.00 0.30 C ATOM 994 O GLU A 67 12.500 -0.327 5.467 1.00 0.33 O ATOM 995 CB GLU A 67 14.158 2.385 6.616 1.00 0.36 C ATOM 996 CG GLU A 67 14.352 3.279 7.830 1.00 0.42 C ATOM 997 CD GLU A 67 14.382 4.751 7.472 1.00 0.93 C ATOM 998 OE1 GLU A 67 15.469 5.252 7.115 1.00 1.22 O ATOM 999 OE2 GLU A 67 13.320 5.403 7.549 1.00 1.70 O ATOM 0 H GLU A 67 15.830 0.988 7.783 1.00 0.30 H new ATOM 0 HA GLU A 67 13.017 0.862 7.609 1.00 0.33 H new ATOM 0 HB2 GLU A 67 15.045 2.445 5.985 1.00 0.36 H new ATOM 0 HB3 GLU A 67 13.322 2.763 6.027 1.00 0.36 H new ATOM 0 HG2 GLU A 67 13.546 3.099 8.542 1.00 0.42 H new ATOM 0 HG3 GLU A 67 15.284 3.011 8.328 1.00 0.42 H new ATOM 1006 N PHE A 68 14.660 -0.063 4.889 1.00 0.27 N ATOM 1007 CA PHE A 68 14.529 -0.809 3.643 1.00 0.26 C ATOM 1008 C PHE A 68 14.070 -2.233 3.914 1.00 0.27 C ATOM 1009 O PHE A 68 13.052 -2.674 3.381 1.00 0.31 O ATOM 1010 CB PHE A 68 15.862 -0.833 2.892 1.00 0.26 C ATOM 1011 CG PHE A 68 15.797 -1.482 1.531 1.00 0.27 C ATOM 1012 CD1 PHE A 68 14.650 -1.404 0.750 1.00 0.38 C ATOM 1013 CD2 PHE A 68 16.898 -2.158 1.024 1.00 0.35 C ATOM 1014 CE1 PHE A 68 14.610 -1.985 -0.500 1.00 0.44 C ATOM 1015 CE2 PHE A 68 16.859 -2.736 -0.228 1.00 0.37 C ATOM 1016 CZ PHE A 68 15.715 -2.648 -0.990 1.00 0.37 C ATOM 0 H PHE A 68 15.597 0.296 5.070 1.00 0.27 H new ATOM 0 HA PHE A 68 13.781 -0.309 3.028 1.00 0.26 H new ATOM 0 HB2 PHE A 68 16.219 0.190 2.777 1.00 0.26 H new ATOM 0 HB3 PHE A 68 16.598 -1.361 3.499 1.00 0.26 H new ATOM 0 HD1 PHE A 68 13.782 -0.883 1.126 1.00 0.38 H new ATOM 0 HD2 PHE A 68 17.797 -2.233 1.618 1.00 0.35 H new ATOM 0 HE1 PHE A 68 13.712 -1.921 -1.096 1.00 0.44 H new ATOM 0 HE2 PHE A 68 17.724 -3.257 -0.610 1.00 0.37 H new ATOM 0 HZ PHE A 68 15.684 -3.098 -1.971 1.00 0.37 H new ATOM 1026 N CYS A 69 14.816 -2.944 4.753 1.00 0.26 N ATOM 1027 CA CYS A 69 14.479 -4.320 5.078 1.00 0.28 C ATOM 1028 C CYS A 69 13.089 -4.395 5.691 1.00 0.29 C ATOM 1029 O CYS A 69 12.385 -5.391 5.539 1.00 0.34 O ATOM 1030 CB CYS A 69 15.495 -4.918 6.050 1.00 0.27 C ATOM 1031 SG CYS A 69 15.658 -6.712 5.930 1.00 0.49 S ATOM 0 H CYS A 69 15.653 -2.590 5.217 1.00 0.26 H new ATOM 0 HA CYS A 69 14.498 -4.895 4.152 1.00 0.28 H new ATOM 0 HB2 CYS A 69 16.468 -4.462 5.868 1.00 0.27 H new ATOM 0 HB3 CYS A 69 15.206 -4.657 7.068 1.00 0.27 H new ATOM 0 HG CYS A 69 16.550 -7.008 5.032 1.00 0.49 H new ATOM 1037 N GLY A 70 12.707 -3.334 6.396 1.00 0.31 N ATOM 1038 CA GLY A 70 11.400 -3.289 7.018 1.00 0.34 C ATOM 1039 C GLY A 70 10.299 -3.482 6.005 1.00 0.35 C ATOM 1040 O GLY A 70 9.406 -4.314 6.189 1.00 0.35 O ATOM 0 H GLY A 70 13.282 -2.505 6.546 1.00 0.31 H new ATOM 0 HA2 GLY A 70 11.333 -4.063 7.782 1.00 0.34 H new ATOM 0 HA3 GLY A 70 11.268 -2.332 7.522 1.00 0.34 H new ATOM 1044 N ILE A 71 10.371 -2.721 4.927 1.00 0.38 N ATOM 1045 CA ILE A 71 9.389 -2.818 3.871 1.00 0.41 C ATOM 1046 C ILE A 71 9.583 -4.094 3.079 1.00 0.41 C ATOM 1047 O ILE A 71 8.626 -4.673 2.569 1.00 0.45 O ATOM 1048 CB ILE A 71 9.479 -1.631 2.907 1.00 0.43 C ATOM 1049 CG1 ILE A 71 9.187 -0.332 3.658 1.00 0.46 C ATOM 1050 CG2 ILE A 71 8.519 -1.839 1.745 1.00 0.47 C ATOM 1051 CD1 ILE A 71 9.246 0.905 2.785 1.00 0.49 C ATOM 0 H ILE A 71 11.102 -2.029 4.763 1.00 0.38 H new ATOM 0 HA ILE A 71 8.409 -2.817 4.348 1.00 0.41 H new ATOM 0 HB ILE A 71 10.487 -1.560 2.498 1.00 0.43 H new ATOM 0 HG12 ILE A 71 8.198 -0.399 4.110 1.00 0.46 H new ATOM 0 HG13 ILE A 71 9.903 -0.225 4.473 1.00 0.46 H new ATOM 0 HG21 ILE A 71 8.586 -0.992 1.062 1.00 0.47 H new ATOM 0 HG22 ILE A 71 8.782 -2.755 1.215 1.00 0.47 H new ATOM 0 HG23 ILE A 71 7.500 -1.919 2.124 1.00 0.47 H new ATOM 0 HD11 ILE A 71 9.028 1.787 3.388 1.00 0.49 H new ATOM 0 HD12 ILE A 71 10.242 0.998 2.353 1.00 0.49 H new ATOM 0 HD13 ILE A 71 8.510 0.821 1.985 1.00 0.49 H new ATOM 1063 N MET A 72 10.828 -4.536 2.991 1.00 0.39 N ATOM 1064 CA MET A 72 11.139 -5.736 2.247 1.00 0.41 C ATOM 1065 C MET A 72 10.387 -6.887 2.862 1.00 0.42 C ATOM 1066 O MET A 72 9.714 -7.640 2.174 1.00 0.50 O ATOM 1067 CB MET A 72 12.638 -6.021 2.263 1.00 0.41 C ATOM 1068 CG MET A 72 13.463 -4.982 1.522 1.00 0.45 C ATOM 1069 SD MET A 72 14.849 -5.697 0.619 1.00 0.78 S ATOM 1070 CE MET A 72 14.045 -7.019 -0.286 1.00 0.36 C ATOM 0 H MET A 72 11.632 -4.082 3.424 1.00 0.39 H new ATOM 0 HA MET A 72 10.841 -5.601 1.207 1.00 0.41 H new ATOM 0 HB2 MET A 72 12.978 -6.073 3.297 1.00 0.41 H new ATOM 0 HB3 MET A 72 12.818 -7.000 1.819 1.00 0.41 H new ATOM 0 HG2 MET A 72 12.820 -4.446 0.824 1.00 0.45 H new ATOM 0 HG3 MET A 72 13.840 -4.249 2.235 1.00 0.45 H new ATOM 0 HE1 MET A 72 14.397 -7.981 0.086 1.00 0.36 H new ATOM 0 HE2 MET A 72 12.966 -6.950 -0.149 1.00 0.36 H new ATOM 0 HE3 MET A 72 14.282 -6.931 -1.346 1.00 0.36 H new ATOM 1080 N ALA A 73 10.499 -6.984 4.175 1.00 0.41 N ATOM 1081 CA ALA A 73 9.825 -8.010 4.939 1.00 0.44 C ATOM 1082 C ALA A 73 8.331 -7.956 4.664 1.00 0.45 C ATOM 1083 O ALA A 73 7.682 -8.984 4.454 1.00 0.51 O ATOM 1084 CB ALA A 73 10.111 -7.786 6.411 1.00 0.46 C ATOM 0 H ALA A 73 11.063 -6.349 4.740 1.00 0.41 H new ATOM 0 HA ALA A 73 10.187 -8.996 4.650 1.00 0.44 H new ATOM 0 HB1 ALA A 73 9.609 -8.553 7.000 1.00 0.46 H new ATOM 0 HB2 ALA A 73 11.186 -7.840 6.585 1.00 0.46 H new ATOM 0 HB3 ALA A 73 9.745 -6.803 6.707 1.00 0.46 H new ATOM 1090 N LYS A 74 7.798 -6.739 4.662 1.00 0.42 N ATOM 1091 CA LYS A 74 6.390 -6.518 4.396 1.00 0.46 C ATOM 1092 C LYS A 74 6.024 -7.056 3.015 1.00 0.47 C ATOM 1093 O LYS A 74 4.962 -7.651 2.830 1.00 0.57 O ATOM 1094 CB LYS A 74 6.084 -5.022 4.503 1.00 0.50 C ATOM 1095 CG LYS A 74 5.409 -4.439 3.282 1.00 1.17 C ATOM 1096 CD LYS A 74 4.988 -2.999 3.514 1.00 1.08 C ATOM 1097 CE LYS A 74 3.872 -2.899 4.542 1.00 1.83 C ATOM 1098 NZ LYS A 74 2.663 -3.664 4.126 1.00 2.52 N ATOM 0 H LYS A 74 8.329 -5.887 4.844 1.00 0.42 H new ATOM 0 HA LYS A 74 5.789 -7.052 5.132 1.00 0.46 H new ATOM 0 HB2 LYS A 74 5.447 -4.854 5.371 1.00 0.50 H new ATOM 0 HB3 LYS A 74 7.015 -4.484 4.681 1.00 0.50 H new ATOM 0 HG2 LYS A 74 6.088 -4.488 2.431 1.00 1.17 H new ATOM 0 HG3 LYS A 74 4.535 -5.038 3.027 1.00 1.17 H new ATOM 0 HD2 LYS A 74 5.847 -2.418 3.851 1.00 1.08 H new ATOM 0 HD3 LYS A 74 4.656 -2.560 2.573 1.00 1.08 H new ATOM 0 HE2 LYS A 74 4.227 -3.275 5.501 1.00 1.83 H new ATOM 0 HE3 LYS A 74 3.606 -1.852 4.689 1.00 1.83 H new ATOM 0 HZ1 LYS A 74 1.841 -3.338 4.673 1.00 2.52 H new ATOM 0 HZ2 LYS A 74 2.488 -3.512 3.112 1.00 2.52 H new ATOM 0 HZ3 LYS A 74 2.816 -4.677 4.302 1.00 2.52 H new ATOM 1112 N GLN A 75 6.914 -6.843 2.047 1.00 0.45 N ATOM 1113 CA GLN A 75 6.685 -7.313 0.687 1.00 0.50 C ATOM 1114 C GLN A 75 6.994 -8.806 0.548 1.00 0.52 C ATOM 1115 O GLN A 75 6.534 -9.455 -0.392 1.00 0.67 O ATOM 1116 CB GLN A 75 7.532 -6.513 -0.304 1.00 0.50 C ATOM 1117 CG GLN A 75 7.339 -5.008 -0.197 1.00 0.76 C ATOM 1118 CD GLN A 75 7.297 -4.329 -1.552 1.00 0.66 C ATOM 1119 OE1 GLN A 75 6.826 -4.905 -2.531 1.00 1.60 O ATOM 1120 NE2 GLN A 75 7.796 -3.099 -1.617 1.00 0.86 N ATOM 0 H GLN A 75 7.797 -6.350 2.181 1.00 0.45 H new ATOM 0 HA GLN A 75 5.629 -7.163 0.462 1.00 0.50 H new ATOM 0 HB2 GLN A 75 8.584 -6.748 -0.142 1.00 0.50 H new ATOM 0 HB3 GLN A 75 7.287 -6.831 -1.317 1.00 0.50 H new ATOM 0 HG2 GLN A 75 6.412 -4.801 0.338 1.00 0.76 H new ATOM 0 HG3 GLN A 75 8.150 -4.582 0.394 1.00 0.76 H new ATOM 0 HE21 GLN A 75 8.177 -2.658 -0.780 1.00 0.86 H new ATOM 0 HE22 GLN A 75 7.798 -2.596 -2.504 1.00 0.86 H new ATOM 1129 N MET A 76 7.772 -9.345 1.485 1.00 0.55 N ATOM 1130 CA MET A 76 8.142 -10.757 1.455 1.00 0.66 C ATOM 1131 C MET A 76 6.944 -11.644 1.774 1.00 0.71 C ATOM 1132 O MET A 76 6.786 -12.720 1.197 1.00 0.83 O ATOM 1133 CB MET A 76 9.262 -11.041 2.462 1.00 0.87 C ATOM 1134 CG MET A 76 10.566 -10.318 2.162 1.00 1.02 C ATOM 1135 SD MET A 76 11.872 -11.425 1.602 1.00 1.03 S ATOM 1136 CE MET A 76 13.250 -10.285 1.517 1.00 0.64 C ATOM 0 H MET A 76 8.158 -8.825 2.273 1.00 0.55 H new ATOM 0 HA MET A 76 8.492 -10.984 0.448 1.00 0.66 H new ATOM 0 HB2 MET A 76 8.922 -10.756 3.457 1.00 0.87 H new ATOM 0 HB3 MET A 76 9.451 -12.114 2.485 1.00 0.87 H new ATOM 0 HG2 MET A 76 10.388 -9.560 1.399 1.00 1.02 H new ATOM 0 HG3 MET A 76 10.900 -9.795 3.058 1.00 1.02 H new ATOM 0 HE1 MET A 76 14.143 -10.763 1.918 1.00 0.64 H new ATOM 0 HE2 MET A 76 13.425 -10.003 0.479 1.00 0.64 H new ATOM 0 HE3 MET A 76 13.022 -9.394 2.102 1.00 0.64 H new ATOM 1240 N GLU A 83 -2.222 -4.252 -1.625 1.00 7.37 N ATOM 1241 CA GLU A 83 -1.973 -3.008 -2.343 1.00 8.31 C ATOM 1242 C GLU A 83 -3.261 -2.442 -2.937 1.00 8.90 C ATOM 1243 O GLU A 83 -3.521 -1.242 -2.847 1.00 9.79 O ATOM 1244 CB GLU A 83 -0.937 -3.233 -3.447 1.00 8.42 C ATOM 1245 CG GLU A 83 -1.286 -4.374 -4.388 1.00 8.14 C ATOM 1246 CD GLU A 83 -0.243 -4.573 -5.471 1.00 8.51 C ATOM 1247 OE1 GLU A 83 0.718 -5.335 -5.235 1.00 8.45 O ATOM 1248 OE2 GLU A 83 -0.389 -3.968 -6.554 1.00 9.06 O ATOM 0 HA GLU A 83 -1.584 -2.281 -1.630 1.00 8.31 H new ATOM 0 HB2 GLU A 83 -0.831 -2.316 -4.026 1.00 8.42 H new ATOM 0 HB3 GLU A 83 0.031 -3.435 -2.989 1.00 8.42 H new ATOM 0 HG2 GLU A 83 -1.390 -5.295 -3.814 1.00 8.14 H new ATOM 0 HG3 GLU A 83 -2.253 -4.176 -4.851 1.00 8.14 H new ATOM 1255 N GLU A 84 -4.063 -3.311 -3.544 1.00 8.58 N ATOM 1256 CA GLU A 84 -5.322 -2.893 -4.152 1.00 9.37 C ATOM 1257 C GLU A 84 -6.356 -2.552 -3.084 1.00 9.77 C ATOM 1258 O GLU A 84 -7.246 -1.727 -3.305 1.00 10.65 O ATOM 1259 CB GLU A 84 -5.860 -3.994 -5.069 1.00 9.24 C ATOM 1260 CG GLU A 84 -7.095 -3.585 -5.855 1.00 9.88 C ATOM 1261 CD GLU A 84 -6.826 -2.435 -6.808 1.00 10.30 C ATOM 1262 OE1 GLU A 84 -6.421 -2.701 -7.959 1.00 10.72 O ATOM 1263 OE2 GLU A 84 -7.021 -1.271 -6.400 1.00 10.41 O ATOM 0 H GLU A 84 -3.864 -4.308 -3.628 1.00 8.58 H new ATOM 0 HA GLU A 84 -5.131 -1.998 -4.744 1.00 9.37 H new ATOM 0 HB2 GLU A 84 -5.077 -4.288 -5.767 1.00 9.24 H new ATOM 0 HB3 GLU A 84 -6.097 -4.872 -4.468 1.00 9.24 H new ATOM 0 HG2 GLU A 84 -7.462 -4.442 -6.420 1.00 9.88 H new ATOM 0 HG3 GLU A 84 -7.885 -3.299 -5.160 1.00 9.88 H new ATOM 1270 N MET A 85 -6.225 -3.181 -1.922 1.00 9.28 N ATOM 1271 CA MET A 85 -7.150 -2.950 -0.821 1.00 9.90 C ATOM 1272 C MET A 85 -6.878 -1.599 -0.179 1.00 10.59 C ATOM 1273 O MET A 85 -7.800 -0.822 0.068 1.00 11.45 O ATOM 1274 CB MET A 85 -7.029 -4.063 0.220 1.00 9.48 C ATOM 1275 CG MET A 85 -7.265 -5.451 -0.350 1.00 8.93 C ATOM 1276 SD MET A 85 -6.858 -6.762 0.815 1.00 8.96 S ATOM 1277 CE MET A 85 -8.028 -6.421 2.125 1.00 9.60 C ATOM 0 H MET A 85 -5.487 -3.855 -1.719 1.00 9.28 H new ATOM 0 HA MET A 85 -8.166 -2.952 -1.216 1.00 9.90 H new ATOM 0 HB2 MET A 85 -6.035 -4.026 0.667 1.00 9.48 H new ATOM 0 HB3 MET A 85 -7.746 -3.881 1.021 1.00 9.48 H new ATOM 0 HG2 MET A 85 -8.310 -5.545 -0.645 1.00 8.93 H new ATOM 0 HG3 MET A 85 -6.667 -5.575 -1.253 1.00 8.93 H new ATOM 0 HE1 MET A 85 -8.052 -7.261 2.819 1.00 9.60 H new ATOM 0 HE2 MET A 85 -7.726 -5.519 2.657 1.00 9.60 H new ATOM 0 HE3 MET A 85 -9.020 -6.275 1.698 1.00 9.60 H new ATOM 1287 N ARG A 86 -5.606 -1.326 0.089 1.00 10.35 N ATOM 1288 CA ARG A 86 -5.217 -0.059 0.687 1.00 11.19 C ATOM 1289 C ARG A 86 -5.629 1.086 -0.227 1.00 11.96 C ATOM 1290 O ARG A 86 -6.022 2.155 0.237 1.00 12.88 O ATOM 1291 CB ARG A 86 -3.710 -0.018 0.934 1.00 10.99 C ATOM 1292 CG ARG A 86 -3.283 1.115 1.852 1.00 11.99 C ATOM 1293 CD ARG A 86 -1.772 1.188 1.982 1.00 12.13 C ATOM 1294 NE ARG A 86 -1.351 2.283 2.852 1.00 12.84 N ATOM 1295 CZ ARG A 86 -0.587 2.122 3.928 1.00 13.32 C ATOM 1296 NH1 ARG A 86 -0.169 0.912 4.273 1.00 13.18 N ATOM 1297 NH2 ARG A 86 -0.246 3.171 4.664 1.00 14.09 N ATOM 0 H ARG A 86 -4.832 -1.963 -0.098 1.00 10.35 H new ATOM 0 HA ARG A 86 -5.723 0.045 1.647 1.00 11.19 H new ATOM 0 HB2 ARG A 86 -3.394 -0.967 1.368 1.00 10.99 H new ATOM 0 HB3 ARG A 86 -3.195 0.083 -0.021 1.00 10.99 H new ATOM 0 HG2 ARG A 86 -3.662 2.061 1.464 1.00 11.99 H new ATOM 0 HG3 ARG A 86 -3.727 0.973 2.837 1.00 11.99 H new ATOM 0 HD2 ARG A 86 -1.396 0.245 2.378 1.00 12.13 H new ATOM 0 HD3 ARG A 86 -1.329 1.318 0.995 1.00 12.13 H new ATOM 0 HE ARG A 86 -1.661 3.227 2.620 1.00 12.84 H new ATOM 0 HH11 ARG A 86 -0.433 0.102 3.712 1.00 13.18 H new ATOM 0 HH12 ARG A 86 0.417 0.791 5.099 1.00 13.18 H new ATOM 0 HH21 ARG A 86 -0.570 4.103 4.405 1.00 14.09 H new ATOM 0 HH22 ARG A 86 0.340 3.046 5.489 1.00 14.09 H new ATOM 1311 N GLU A 87 -5.534 0.850 -1.533 1.00 11.71 N ATOM 1312 CA GLU A 87 -5.915 1.851 -2.519 1.00 12.58 C ATOM 1313 C GLU A 87 -7.384 2.214 -2.341 1.00 13.20 C ATOM 1314 O GLU A 87 -7.747 3.390 -2.323 1.00 14.14 O ATOM 1315 CB GLU A 87 -5.670 1.330 -3.936 1.00 12.36 C ATOM 1316 CG GLU A 87 -5.946 2.358 -5.020 1.00 12.89 C ATOM 1317 CD GLU A 87 -5.766 1.796 -6.417 1.00 13.23 C ATOM 1318 OE1 GLU A 87 -4.611 1.738 -6.890 1.00 13.40 O ATOM 1319 OE2 GLU A 87 -6.780 1.414 -7.037 1.00 13.47 O ATOM 0 H GLU A 87 -5.196 -0.026 -1.931 1.00 11.71 H new ATOM 0 HA GLU A 87 -5.304 2.741 -2.370 1.00 12.58 H new ATOM 0 HB2 GLU A 87 -4.635 0.998 -4.018 1.00 12.36 H new ATOM 0 HB3 GLU A 87 -6.300 0.457 -4.107 1.00 12.36 H new ATOM 0 HG2 GLU A 87 -6.964 2.731 -4.911 1.00 12.89 H new ATOM 0 HG3 GLU A 87 -5.279 3.209 -4.886 1.00 12.89 H new ATOM 1326 N ALA A 88 -8.223 1.188 -2.211 1.00 12.78 N ATOM 1327 CA ALA A 88 -9.653 1.388 -2.015 1.00 13.49 C ATOM 1328 C ALA A 88 -9.907 2.213 -0.758 1.00 14.13 C ATOM 1329 O ALA A 88 -10.840 3.016 -0.705 1.00 15.06 O ATOM 1330 CB ALA A 88 -10.364 0.048 -1.924 1.00 13.06 C ATOM 0 H ALA A 88 -7.935 0.210 -2.238 1.00 12.78 H new ATOM 0 HA ALA A 88 -10.049 1.934 -2.871 1.00 13.49 H new ATOM 0 HB1 ALA A 88 -11.432 0.212 -1.778 1.00 13.06 H new ATOM 0 HB2 ALA A 88 -10.206 -0.511 -2.846 1.00 13.06 H new ATOM 0 HB3 ALA A 88 -9.965 -0.519 -1.083 1.00 13.06 H new ATOM 1336 N PHE A 89 -9.066 2.006 0.252 1.00 13.73 N ATOM 1337 CA PHE A 89 -9.180 2.733 1.511 1.00 14.46 C ATOM 1338 C PHE A 89 -8.927 4.220 1.290 1.00 15.32 C ATOM 1339 O PHE A 89 -9.642 5.070 1.821 1.00 16.24 O ATOM 1340 CB PHE A 89 -8.189 2.170 2.536 1.00 14.00 C ATOM 1341 CG PHE A 89 -7.907 3.094 3.687 1.00 14.89 C ATOM 1342 CD1 PHE A 89 -8.797 3.189 4.745 1.00 15.30 C ATOM 1343 CD2 PHE A 89 -6.756 3.865 3.712 1.00 15.46 C ATOM 1344 CE1 PHE A 89 -8.545 4.035 5.806 1.00 16.22 C ATOM 1345 CE2 PHE A 89 -6.499 4.714 4.772 1.00 16.38 C ATOM 1346 CZ PHE A 89 -7.378 4.804 5.812 1.00 16.75 C ATOM 0 H PHE A 89 -8.296 1.338 0.222 1.00 13.73 H new ATOM 0 HA PHE A 89 -10.192 2.608 1.897 1.00 14.46 H new ATOM 0 HB2 PHE A 89 -8.580 1.230 2.926 1.00 14.00 H new ATOM 0 HB3 PHE A 89 -7.251 1.940 2.030 1.00 14.00 H new ATOM 0 HD1 PHE A 89 -9.698 2.594 4.739 1.00 15.30 H new ATOM 0 HD2 PHE A 89 -6.053 3.802 2.895 1.00 15.46 H new ATOM 0 HE1 PHE A 89 -9.245 4.102 6.626 1.00 16.22 H new ATOM 0 HE2 PHE A 89 -5.598 5.309 4.777 1.00 16.38 H new ATOM 0 HZ PHE A 89 -7.172 5.468 6.638 1.00 16.75 H new ATOM 1356 N LYS A 90 -7.900 4.523 0.502 1.00 15.11 N ATOM 1357 CA LYS A 90 -7.543 5.903 0.197 1.00 16.01 C ATOM 1358 C LYS A 90 -8.717 6.632 -0.446 1.00 16.75 C ATOM 1359 O LYS A 90 -8.964 7.806 -0.165 1.00 17.70 O ATOM 1360 CB LYS A 90 -6.335 5.937 -0.735 1.00 15.74 C ATOM 1361 CG LYS A 90 -5.130 5.197 -0.183 1.00 15.19 C ATOM 1362 CD LYS A 90 -4.015 5.100 -1.208 1.00 15.14 C ATOM 1363 CE LYS A 90 -3.052 3.970 -0.876 1.00 14.45 C ATOM 1364 NZ LYS A 90 -2.392 4.173 0.444 1.00 14.90 N ATOM 0 H LYS A 90 -7.298 3.827 0.062 1.00 15.11 H new ATOM 0 HA LYS A 90 -7.290 6.408 1.129 1.00 16.01 H new ATOM 0 HB2 LYS A 90 -6.613 5.500 -1.694 1.00 15.74 H new ATOM 0 HB3 LYS A 90 -6.060 6.975 -0.925 1.00 15.74 H new ATOM 0 HG2 LYS A 90 -4.764 5.710 0.706 1.00 15.19 H new ATOM 0 HG3 LYS A 90 -5.428 4.195 0.127 1.00 15.19 H new ATOM 0 HD2 LYS A 90 -4.442 4.937 -2.198 1.00 15.14 H new ATOM 0 HD3 LYS A 90 -3.471 6.044 -1.247 1.00 15.14 H new ATOM 0 HE2 LYS A 90 -3.592 3.023 -0.870 1.00 14.45 H new ATOM 0 HE3 LYS A 90 -2.293 3.900 -1.655 1.00 14.45 H new ATOM 0 HZ1 LYS A 90 -1.659 3.448 0.581 1.00 14.90 H new ATOM 0 HZ2 LYS A 90 -1.955 5.117 0.472 1.00 14.90 H new ATOM 0 HZ3 LYS A 90 -3.100 4.096 1.202 1.00 14.90 H new ATOM 1378 N ILE A 91 -9.434 5.925 -1.312 1.00 16.40 N ATOM 1379 CA ILE A 91 -10.587 6.494 -2.000 1.00 17.17 C ATOM 1380 C ILE A 91 -11.674 6.889 -1.007 1.00 17.84 C ATOM 1381 O ILE A 91 -12.222 7.989 -1.080 1.00 18.78 O ATOM 1382 CB ILE A 91 -11.175 5.501 -3.023 1.00 16.77 C ATOM 1383 CG1 ILE A 91 -10.081 5.012 -3.976 1.00 16.16 C ATOM 1384 CG2 ILE A 91 -12.310 6.153 -3.800 1.00 17.75 C ATOM 1385 CD1 ILE A 91 -10.520 3.875 -4.872 1.00 16.20 C ATOM 0 H ILE A 91 -9.236 4.954 -1.555 1.00 16.40 H new ATOM 0 HA ILE A 91 -10.239 7.382 -2.527 1.00 17.17 H new ATOM 0 HB ILE A 91 -11.575 4.641 -2.486 1.00 16.77 H new ATOM 0 HG12 ILE A 91 -9.752 5.846 -4.596 1.00 16.16 H new ATOM 0 HG13 ILE A 91 -9.219 4.690 -3.391 1.00 16.16 H new ATOM 0 HG21 ILE A 91 -12.715 5.441 -4.518 1.00 17.75 H new ATOM 0 HG22 ILE A 91 -13.096 6.458 -3.109 1.00 17.75 H new ATOM 0 HG23 ILE A 91 -11.933 7.028 -4.330 1.00 17.75 H new ATOM 0 HD11 ILE A 91 -9.693 3.582 -5.519 1.00 16.20 H new ATOM 0 HD12 ILE A 91 -10.821 3.025 -4.260 1.00 16.20 H new ATOM 0 HD13 ILE A 91 -11.362 4.198 -5.484 1.00 16.20 H new ATOM 1397 N PHE A 92 -11.981 5.988 -0.080 1.00 17.43 N ATOM 1398 CA PHE A 92 -13.005 6.243 0.929 1.00 18.14 C ATOM 1399 C PHE A 92 -12.560 7.319 1.915 1.00 18.80 C ATOM 1400 O PHE A 92 -13.381 7.892 2.631 1.00 19.63 O ATOM 1401 CB PHE A 92 -13.343 4.956 1.685 1.00 17.63 C ATOM 1402 CG PHE A 92 -14.402 4.123 1.020 1.00 17.41 C ATOM 1403 CD1 PHE A 92 -15.743 4.444 1.153 1.00 17.64 C ATOM 1404 CD2 PHE A 92 -14.054 3.018 0.259 1.00 17.12 C ATOM 1405 CE1 PHE A 92 -16.716 3.680 0.539 1.00 17.60 C ATOM 1406 CE2 PHE A 92 -15.022 2.250 -0.356 1.00 17.07 C ATOM 1407 CZ PHE A 92 -16.364 2.582 -0.204 1.00 17.34 C ATOM 0 H PHE A 92 -11.535 5.074 -0.006 1.00 17.43 H new ATOM 0 HA PHE A 92 -13.895 6.601 0.411 1.00 18.14 H new ATOM 0 HB2 PHE A 92 -12.437 4.359 1.790 1.00 17.63 H new ATOM 0 HB3 PHE A 92 -13.674 5.213 2.691 1.00 17.63 H new ATOM 0 HD1 PHE A 92 -16.031 5.301 1.743 1.00 17.64 H new ATOM 0 HD2 PHE A 92 -13.013 2.755 0.146 1.00 17.12 H new ATOM 0 HE1 PHE A 92 -17.757 3.948 0.644 1.00 17.60 H new ATOM 0 HE2 PHE A 92 -14.739 1.395 -0.952 1.00 17.07 H new ATOM 0 HZ PHE A 92 -17.127 1.977 -0.670 1.00 17.34 H new ATOM 1417 N ASP A 93 -11.259 7.593 1.948 1.00 18.51 N ATOM 1418 CA ASP A 93 -10.714 8.598 2.856 1.00 19.23 C ATOM 1419 C ASP A 93 -10.506 9.931 2.142 1.00 19.92 C ATOM 1420 O ASP A 93 -9.632 10.059 1.284 1.00 19.65 O ATOM 1421 CB ASP A 93 -9.395 8.109 3.457 1.00 18.69 C ATOM 1422 CG ASP A 93 -8.939 8.956 4.631 1.00 19.57 C ATOM 1423 OD1 ASP A 93 -9.762 9.732 5.164 1.00 20.02 O ATOM 1424 OD2 ASP A 93 -7.759 8.839 5.023 1.00 19.89 O ATOM 0 H ASP A 93 -10.564 7.135 1.358 1.00 18.51 H new ATOM 0 HA ASP A 93 -11.435 8.753 3.659 1.00 19.23 H new ATOM 0 HB2 ASP A 93 -9.510 7.075 3.783 1.00 18.69 H new ATOM 0 HB3 ASP A 93 -8.624 8.117 2.687 1.00 18.69 H new ATOM 1429 N ARG A 94 -11.317 10.920 2.506 1.00 20.90 N ATOM 1430 CA ARG A 94 -11.237 12.251 1.908 1.00 21.70 C ATOM 1431 C ARG A 94 -10.098 13.063 2.525 1.00 22.13 C ATOM 1432 O ARG A 94 -9.758 14.138 2.029 1.00 22.63 O ATOM 1433 CB ARG A 94 -12.565 12.991 2.098 1.00 22.67 C ATOM 1434 CG ARG A 94 -13.574 12.775 0.977 1.00 22.53 C ATOM 1435 CD ARG A 94 -13.768 11.304 0.648 1.00 22.13 C ATOM 1436 NE ARG A 94 -12.711 10.794 -0.222 1.00 22.41 N ATOM 1437 CZ ARG A 94 -12.739 10.888 -1.548 1.00 22.68 C ATOM 1438 NH1 ARG A 94 -13.767 11.466 -2.155 1.00 22.72 N ATOM 1439 NH2 ARG A 94 -11.736 10.406 -2.271 1.00 23.01 N ATOM 0 H ARG A 94 -12.042 10.824 3.217 1.00 20.90 H new ATOM 0 HA ARG A 94 -11.036 12.134 0.843 1.00 21.70 H new ATOM 0 HB2 ARG A 94 -13.013 12.672 3.039 1.00 22.67 H new ATOM 0 HB3 ARG A 94 -12.362 14.058 2.187 1.00 22.67 H new ATOM 0 HG2 ARG A 94 -14.531 13.210 1.265 1.00 22.53 H new ATOM 0 HG3 ARG A 94 -13.240 13.303 0.084 1.00 22.53 H new ATOM 0 HD2 ARG A 94 -13.788 10.725 1.572 1.00 22.13 H new ATOM 0 HD3 ARG A 94 -14.735 11.165 0.164 1.00 22.13 H new ATOM 0 HE ARG A 94 -11.907 10.341 0.212 1.00 22.41 H new ATOM 0 HH11 ARG A 94 -14.540 11.840 -1.604 1.00 22.72 H new ATOM 0 HH12 ARG A 94 -13.785 11.536 -3.172 1.00 22.72 H new ATOM 0 HH21 ARG A 94 -10.942 9.962 -1.810 1.00 23.01 H new ATOM 0 HH22 ARG A 94 -11.759 10.479 -3.288 1.00 23.01 H new ATOM 1453 N ASP A 95 -9.515 12.551 3.605 1.00 22.06 N ATOM 1454 CA ASP A 95 -8.415 13.241 4.274 1.00 22.57 C ATOM 1455 C ASP A 95 -7.151 12.389 4.270 1.00 21.80 C ATOM 1456 O ASP A 95 -7.191 11.200 3.954 1.00 20.81 O ATOM 1457 CB ASP A 95 -8.786 13.575 5.719 1.00 23.28 C ATOM 1458 CG ASP A 95 -10.207 14.077 5.864 1.00 23.89 C ATOM 1459 OD1 ASP A 95 -10.607 14.948 5.065 1.00 24.34 O ATOM 1460 OD2 ASP A 95 -10.919 13.599 6.773 1.00 24.00 O ATOM 0 H ASP A 95 -9.783 11.666 4.034 1.00 22.06 H new ATOM 0 HA ASP A 95 -8.226 14.163 3.724 1.00 22.57 H new ATOM 0 HB2 ASP A 95 -8.656 12.686 6.336 1.00 23.28 H new ATOM 0 HB3 ASP A 95 -8.099 14.331 6.099 1.00 23.28 H new ATOM 1465 N GLY A 96 -6.030 13.012 4.617 1.00 22.31 N ATOM 1466 CA GLY A 96 -4.766 12.301 4.663 1.00 21.77 C ATOM 1467 C GLY A 96 -4.381 11.919 6.079 1.00 21.93 C ATOM 1468 O GLY A 96 -3.289 11.400 6.315 1.00 21.68 O ATOM 0 H GLY A 96 -5.974 13.999 4.868 1.00 22.31 H new ATOM 0 HA2 GLY A 96 -4.833 11.402 4.050 1.00 21.77 H new ATOM 0 HA3 GLY A 96 -3.983 12.924 4.230 1.00 21.77 H new ATOM 1472 N ASP A 97 -5.283 12.182 7.021 1.00 22.44 N ATOM 1473 CA ASP A 97 -5.045 11.877 8.429 1.00 22.79 C ATOM 1474 C ASP A 97 -4.690 10.405 8.626 1.00 21.82 C ATOM 1475 O ASP A 97 -3.832 10.071 9.443 1.00 22.02 O ATOM 1476 CB ASP A 97 -6.274 12.240 9.264 1.00 23.40 C ATOM 1477 CG ASP A 97 -7.465 11.344 8.978 1.00 22.73 C ATOM 1478 OD1 ASP A 97 -7.999 11.410 7.851 1.00 22.35 O ATOM 1479 OD2 ASP A 97 -7.861 10.570 9.876 1.00 22.66 O ATOM 0 H ASP A 97 -6.190 12.608 6.833 1.00 22.44 H new ATOM 0 HA ASP A 97 -4.197 12.475 8.763 1.00 22.79 H new ATOM 0 HB2 ASP A 97 -6.021 12.174 10.322 1.00 23.40 H new ATOM 0 HB3 ASP A 97 -6.549 13.276 9.066 1.00 23.40 H new ATOM 1484 N GLY A 98 -5.353 9.531 7.875 1.00 20.85 N ATOM 1485 CA GLY A 98 -5.088 8.108 7.986 1.00 19.90 C ATOM 1486 C GLY A 98 -6.304 7.319 8.431 1.00 19.67 C ATOM 1487 O GLY A 98 -6.261 6.091 8.498 1.00 18.98 O ATOM 0 H GLY A 98 -6.068 9.782 7.192 1.00 20.85 H new ATOM 0 HA2 GLY A 98 -4.747 7.730 7.022 1.00 19.90 H new ATOM 0 HA3 GLY A 98 -4.277 7.948 8.696 1.00 19.90 H new ATOM 1491 N PHE A 99 -7.386 8.025 8.744 1.00 20.36 N ATOM 1492 CA PHE A 99 -8.618 7.378 9.176 1.00 20.37 C ATOM 1493 C PHE A 99 -9.824 8.002 8.474 1.00 20.60 C ATOM 1494 O PHE A 99 -9.772 9.152 8.032 1.00 21.08 O ATOM 1495 CB PHE A 99 -8.783 7.472 10.696 1.00 21.34 C ATOM 1496 CG PHE A 99 -7.485 7.412 11.453 1.00 21.51 C ATOM 1497 CD1 PHE A 99 -6.831 6.206 11.636 1.00 21.92 C ATOM 1498 CD2 PHE A 99 -6.922 8.563 11.981 1.00 21.38 C ATOM 1499 CE1 PHE A 99 -5.638 6.148 12.333 1.00 22.21 C ATOM 1500 CE2 PHE A 99 -5.730 8.511 12.677 1.00 21.65 C ATOM 1501 CZ PHE A 99 -5.087 7.302 12.854 1.00 22.08 C ATOM 0 H PHE A 99 -7.434 9.043 8.706 1.00 20.36 H new ATOM 0 HA PHE A 99 -8.559 6.324 8.903 1.00 20.37 H new ATOM 0 HB2 PHE A 99 -9.292 8.405 10.940 1.00 21.34 H new ATOM 0 HB3 PHE A 99 -9.427 6.660 11.033 1.00 21.34 H new ATOM 0 HD1 PHE A 99 -7.257 5.300 11.230 1.00 21.92 H new ATOM 0 HD2 PHE A 99 -7.421 9.511 11.847 1.00 21.38 H new ATOM 0 HE1 PHE A 99 -5.138 5.201 12.470 1.00 22.21 H new ATOM 0 HE2 PHE A 99 -5.301 9.415 13.083 1.00 21.65 H new ATOM 0 HZ PHE A 99 -4.155 7.259 13.399 1.00 22.08 H new ATOM 1511 N ILE A 100 -10.911 7.238 8.375 1.00 20.36 N ATOM 1512 CA ILE A 100 -12.119 7.719 7.714 1.00 20.66 C ATOM 1513 C ILE A 100 -13.271 7.875 8.701 1.00 21.62 C ATOM 1514 O ILE A 100 -13.367 7.140 9.682 1.00 21.77 O ATOM 1515 CB ILE A 100 -12.557 6.761 6.589 1.00 19.72 C ATOM 1516 CG1 ILE A 100 -11.348 6.331 5.757 1.00 18.71 C ATOM 1517 CG2 ILE A 100 -13.607 7.425 5.708 1.00 20.15 C ATOM 1518 CD1 ILE A 100 -11.662 5.254 4.741 1.00 17.74 C ATOM 0 H ILE A 100 -10.978 6.289 8.742 1.00 20.36 H new ATOM 0 HA ILE A 100 -11.876 8.693 7.289 1.00 20.66 H new ATOM 0 HB ILE A 100 -12.998 5.872 7.039 1.00 19.72 H new ATOM 0 HG12 ILE A 100 -10.947 7.202 5.238 1.00 18.71 H new ATOM 0 HG13 ILE A 100 -10.567 5.970 6.426 1.00 18.71 H new ATOM 0 HG21 ILE A 100 -13.907 6.737 4.918 1.00 20.15 H new ATOM 0 HG22 ILE A 100 -14.476 7.686 6.312 1.00 20.15 H new ATOM 0 HG23 ILE A 100 -13.190 8.329 5.263 1.00 20.15 H new ATOM 0 HD11 ILE A 100 -10.757 5.000 4.189 1.00 17.74 H new ATOM 0 HD12 ILE A 100 -12.035 4.367 5.254 1.00 17.74 H new ATOM 0 HD13 ILE A 100 -12.420 5.618 4.048 1.00 17.74 H new ATOM 1530 N SER A 101 -14.145 8.835 8.422 1.00 22.35 N ATOM 1531 CA SER A 101 -15.302 9.104 9.272 1.00 23.35 C ATOM 1532 C SER A 101 -16.595 8.796 8.519 1.00 23.43 C ATOM 1533 O SER A 101 -16.618 8.864 7.292 1.00 22.96 O ATOM 1534 CB SER A 101 -15.285 10.569 9.721 1.00 24.38 C ATOM 1535 OG SER A 101 -16.452 10.904 10.450 1.00 24.61 O ATOM 0 H SER A 101 -14.074 9.445 7.608 1.00 22.35 H new ATOM 0 HA SER A 101 -15.253 8.462 10.152 1.00 23.35 H new ATOM 0 HB2 SER A 101 -14.405 10.751 10.338 1.00 24.38 H new ATOM 0 HB3 SER A 101 -15.202 11.217 8.848 1.00 24.38 H new ATOM 0 HG SER A 101 -16.409 11.844 10.723 1.00 24.61 H new ATOM 1541 N PRO A 102 -17.687 8.447 9.229 1.00 24.11 N ATOM 1542 CA PRO A 102 -18.969 8.132 8.586 1.00 24.36 C ATOM 1543 C PRO A 102 -19.357 9.171 7.538 1.00 24.64 C ATOM 1544 O PRO A 102 -19.968 8.844 6.522 1.00 24.44 O ATOM 1545 CB PRO A 102 -19.956 8.141 9.752 1.00 25.42 C ATOM 1546 CG PRO A 102 -19.136 7.754 10.934 1.00 25.38 C ATOM 1547 CD PRO A 102 -17.769 8.340 10.699 1.00 24.81 C ATOM 0 HA PRO A 102 -18.940 7.186 8.046 1.00 24.36 H new ATOM 0 HB2 PRO A 102 -20.405 9.125 9.885 1.00 25.42 H new ATOM 0 HB3 PRO A 102 -20.772 7.438 9.587 1.00 25.42 H new ATOM 0 HG2 PRO A 102 -19.573 8.139 11.855 1.00 25.38 H new ATOM 0 HG3 PRO A 102 -19.084 6.670 11.035 1.00 25.38 H new ATOM 0 HD2 PRO A 102 -17.662 9.313 11.179 1.00 24.81 H new ATOM 0 HD3 PRO A 102 -16.983 7.699 11.099 1.00 24.81 H new ATOM 1555 N ALA A 103 -18.989 10.422 7.794 1.00 25.18 N ATOM 1556 CA ALA A 103 -19.286 11.515 6.873 1.00 25.58 C ATOM 1557 C ALA A 103 -18.511 11.357 5.571 1.00 24.70 C ATOM 1558 O ALA A 103 -19.059 11.518 4.478 1.00 24.78 O ATOM 1559 CB ALA A 103 -18.950 12.848 7.521 1.00 26.36 C ATOM 0 H ALA A 103 -18.483 10.705 8.633 1.00 25.18 H new ATOM 0 HA ALA A 103 -20.351 11.487 6.642 1.00 25.58 H new ATOM 0 HB1 ALA A 103 -19.175 13.657 6.826 1.00 26.36 H new ATOM 0 HB2 ALA A 103 -19.543 12.972 8.427 1.00 26.36 H new ATOM 0 HB3 ALA A 103 -17.890 12.872 7.775 1.00 26.36 H new ATOM 1565 N GLU A 104 -17.231 11.028 5.699 1.00 23.94 N ATOM 1566 CA GLU A 104 -16.361 10.846 4.546 1.00 23.10 C ATOM 1567 C GLU A 104 -16.776 9.600 3.788 1.00 22.34 C ATOM 1568 O GLU A 104 -16.736 9.553 2.558 1.00 22.06 O ATOM 1569 CB GLU A 104 -14.907 10.704 4.995 1.00 22.54 C ATOM 1570 CG GLU A 104 -14.289 11.986 5.520 1.00 23.20 C ATOM 1571 CD GLU A 104 -12.862 11.781 5.992 1.00 22.77 C ATOM 1572 OE1 GLU A 104 -11.952 11.756 5.138 1.00 22.70 O ATOM 1573 OE2 GLU A 104 -12.655 11.638 7.216 1.00 22.57 O ATOM 0 H GLU A 104 -16.771 10.881 6.597 1.00 23.94 H new ATOM 0 HA GLU A 104 -16.449 11.718 3.899 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -14.852 9.942 5.773 1.00 22.54 H new ATOM 0 HB3 GLU A 104 -14.313 10.345 4.155 1.00 22.54 H new ATOM 0 HG2 GLU A 104 -14.306 12.743 4.736 1.00 23.20 H new ATOM 0 HG3 GLU A 104 -14.892 12.367 6.344 1.00 23.20 H new ATOM 1580 N LEU A 105 -17.176 8.594 4.548 1.00 22.13 N ATOM 1581 CA LEU A 105 -17.608 7.330 3.990 1.00 21.50 C ATOM 1582 C LEU A 105 -18.935 7.500 3.264 1.00 22.09 C ATOM 1583 O LEU A 105 -19.216 6.809 2.291 1.00 21.66 O ATOM 1584 CB LEU A 105 -17.742 6.294 5.106 1.00 21.47 C ATOM 1585 CG LEU A 105 -17.603 4.846 4.656 1.00 20.64 C ATOM 1586 CD1 LEU A 105 -16.573 4.118 5.506 1.00 20.35 C ATOM 1587 CD2 LEU A 105 -18.947 4.144 4.720 1.00 20.76 C ATOM 0 H LEU A 105 -17.209 8.633 5.567 1.00 22.13 H new ATOM 0 HA LEU A 105 -16.864 6.985 3.272 1.00 21.50 H new ATOM 0 HB2 LEU A 105 -16.986 6.498 5.864 1.00 21.47 H new ATOM 0 HB3 LEU A 105 -18.714 6.419 5.584 1.00 21.47 H new ATOM 0 HG LEU A 105 -17.257 4.835 3.622 1.00 20.64 H new ATOM 0 HD11 LEU A 105 -16.488 3.085 5.169 1.00 20.35 H new ATOM 0 HD12 LEU A 105 -15.606 4.612 5.409 1.00 20.35 H new ATOM 0 HD13 LEU A 105 -16.886 4.135 6.550 1.00 20.35 H new ATOM 0 HD21 LEU A 105 -18.833 3.110 4.396 1.00 20.76 H new ATOM 0 HD22 LEU A 105 -19.320 4.164 5.744 1.00 20.76 H new ATOM 0 HD23 LEU A 105 -19.655 4.653 4.066 1.00 20.76 H new ATOM 1599 N ARG A 106 -19.742 8.439 3.744 1.00 23.15 N ATOM 1600 CA ARG A 106 -21.046 8.715 3.154 1.00 23.87 C ATOM 1601 C ARG A 106 -20.893 9.330 1.767 1.00 23.93 C ATOM 1602 O ARG A 106 -21.628 8.988 0.841 1.00 24.00 O ATOM 1603 CB ARG A 106 -21.828 9.662 4.066 1.00 25.01 C ATOM 1604 CG ARG A 106 -23.323 9.397 4.108 1.00 25.84 C ATOM 1605 CD ARG A 106 -23.983 9.671 2.767 1.00 26.70 C ATOM 1606 NE ARG A 106 -25.439 9.576 2.846 1.00 27.44 N ATOM 1607 CZ ARG A 106 -26.234 9.501 1.782 1.00 28.28 C ATOM 1608 NH1 ARG A 106 -25.716 9.497 0.561 1.00 28.51 N ATOM 1609 NH2 ARG A 106 -27.549 9.428 1.939 1.00 28.96 N ATOM 0 H ARG A 106 -19.513 9.026 4.546 1.00 23.15 H new ATOM 0 HA ARG A 106 -21.591 7.777 3.051 1.00 23.87 H new ATOM 0 HB2 ARG A 106 -21.429 9.586 5.077 1.00 25.01 H new ATOM 0 HB3 ARG A 106 -21.662 10.687 3.734 1.00 25.01 H new ATOM 0 HG2 ARG A 106 -23.500 8.361 4.395 1.00 25.84 H new ATOM 0 HG3 ARG A 106 -23.782 10.023 4.873 1.00 25.84 H new ATOM 0 HD2 ARG A 106 -23.702 10.666 2.421 1.00 26.70 H new ATOM 0 HD3 ARG A 106 -23.612 8.960 2.028 1.00 26.70 H new ATOM 0 HE ARG A 106 -25.871 9.567 3.770 1.00 27.44 H new ATOM 0 HH11 ARG A 106 -24.705 9.552 0.436 1.00 28.51 H new ATOM 0 HH12 ARG A 106 -26.328 9.439 -0.253 1.00 28.51 H new ATOM 0 HH21 ARG A 106 -27.952 9.429 2.876 1.00 28.96 H new ATOM 0 HH22 ARG A 106 -28.158 9.371 1.123 1.00 28.96 H new ATOM 1623 N PHE A 107 -19.931 10.238 1.632 1.00 24.01 N ATOM 1624 CA PHE A 107 -19.681 10.905 0.359 1.00 24.21 C ATOM 1625 C PHE A 107 -19.190 9.919 -0.701 1.00 23.32 C ATOM 1626 O PHE A 107 -19.725 9.871 -1.808 1.00 23.61 O ATOM 1627 CB PHE A 107 -18.654 12.023 0.543 1.00 24.45 C ATOM 1628 CG PHE A 107 -18.642 13.018 -0.582 1.00 25.01 C ATOM 1629 CD1 PHE A 107 -17.850 12.808 -1.699 1.00 25.30 C ATOM 1630 CD2 PHE A 107 -19.420 14.163 -0.522 1.00 25.33 C ATOM 1631 CE1 PHE A 107 -17.834 13.720 -2.736 1.00 25.91 C ATOM 1632 CE2 PHE A 107 -19.409 15.079 -1.555 1.00 25.94 C ATOM 1633 CZ PHE A 107 -18.623 14.858 -2.664 1.00 26.22 C ATOM 0 H PHE A 107 -19.312 10.529 2.389 1.00 24.01 H new ATOM 0 HA PHE A 107 -20.624 11.331 0.015 1.00 24.21 H new ATOM 0 HB2 PHE A 107 -18.861 12.545 1.477 1.00 24.45 H new ATOM 0 HB3 PHE A 107 -17.662 11.582 0.638 1.00 24.45 H new ATOM 0 HD1 PHE A 107 -17.238 11.920 -1.760 1.00 25.30 H new ATOM 0 HD2 PHE A 107 -20.042 14.341 0.343 1.00 25.33 H new ATOM 0 HE1 PHE A 107 -17.209 13.547 -3.600 1.00 25.91 H new ATOM 0 HE2 PHE A 107 -20.017 15.969 -1.493 1.00 25.94 H new ATOM 0 HZ PHE A 107 -18.621 15.570 -3.476 1.00 26.22 H new ATOM 1643 N VAL A 108 -18.170 9.134 -0.358 1.00 22.31 N ATOM 1644 CA VAL A 108 -17.605 8.162 -1.291 1.00 21.42 C ATOM 1645 C VAL A 108 -18.571 7.019 -1.573 1.00 21.31 C ATOM 1646 O VAL A 108 -18.736 6.626 -2.724 1.00 21.31 O ATOM 1647 CB VAL A 108 -16.269 7.589 -0.778 1.00 20.36 C ATOM 1648 CG1 VAL A 108 -15.807 6.424 -1.647 1.00 19.77 C ATOM 1649 CG2 VAL A 108 -15.217 8.680 -0.746 1.00 20.26 C ATOM 0 H VAL A 108 -17.719 9.152 0.557 1.00 22.31 H new ATOM 0 HA VAL A 108 -17.423 8.702 -2.220 1.00 21.42 H new ATOM 0 HB VAL A 108 -16.419 7.213 0.234 1.00 20.36 H new ATOM 0 HG11 VAL A 108 -14.862 6.037 -1.265 1.00 19.77 H new ATOM 0 HG12 VAL A 108 -16.558 5.634 -1.626 1.00 19.77 H new ATOM 0 HG13 VAL A 108 -15.670 6.767 -2.673 1.00 19.77 H new ATOM 0 HG21 VAL A 108 -14.276 8.267 -0.382 1.00 20.26 H new ATOM 0 HG22 VAL A 108 -15.075 9.078 -1.751 1.00 20.26 H new ATOM 0 HG23 VAL A 108 -15.543 9.480 -0.082 1.00 20.26 H new ATOM 1659 N MET A 109 -19.192 6.473 -0.532 1.00 21.33 N ATOM 1660 CA MET A 109 -20.140 5.382 -0.710 1.00 21.35 C ATOM 1661 C MET A 109 -21.067 5.636 -1.885 1.00 22.24 C ATOM 1662 O MET A 109 -21.281 4.756 -2.702 1.00 22.21 O ATOM 1663 CB MET A 109 -20.955 5.164 0.555 1.00 21.65 C ATOM 1664 CG MET A 109 -20.274 4.234 1.535 1.00 20.93 C ATOM 1665 SD MET A 109 -20.077 2.561 0.885 1.00 20.76 S ATOM 1666 CE MET A 109 -21.742 2.207 0.324 1.00 21.25 C ATOM 0 H MET A 109 -19.057 6.766 0.436 1.00 21.33 H new ATOM 0 HA MET A 109 -19.563 4.482 -0.920 1.00 21.35 H new ATOM 0 HB2 MET A 109 -21.134 6.125 1.037 1.00 21.65 H new ATOM 0 HB3 MET A 109 -21.929 4.754 0.289 1.00 21.65 H new ATOM 0 HG2 MET A 109 -19.295 4.637 1.792 1.00 20.93 H new ATOM 0 HG3 MET A 109 -20.855 4.195 2.457 1.00 20.93 H new ATOM 0 HE1 MET A 109 -21.812 1.160 0.029 1.00 21.25 H new ATOM 0 HE2 MET A 109 -22.447 2.404 1.131 1.00 21.25 H new ATOM 0 HE3 MET A 109 -21.981 2.841 -0.529 1.00 21.25 H new ATOM 1676 N ILE A 110 -21.610 6.841 -1.978 1.00 23.11 N ATOM 1677 CA ILE A 110 -22.509 7.167 -3.075 1.00 24.06 C ATOM 1678 C ILE A 110 -21.898 6.775 -4.418 1.00 23.82 C ATOM 1679 O ILE A 110 -22.594 6.291 -5.309 1.00 24.33 O ATOM 1680 CB ILE A 110 -22.875 8.656 -3.088 1.00 25.05 C ATOM 1681 CG1 ILE A 110 -23.460 9.054 -1.732 1.00 25.40 C ATOM 1682 CG2 ILE A 110 -23.865 8.935 -4.213 1.00 26.06 C ATOM 1683 CD1 ILE A 110 -23.507 10.544 -1.501 1.00 26.28 C ATOM 0 H ILE A 110 -21.447 7.600 -1.317 1.00 23.11 H new ATOM 0 HA ILE A 110 -23.422 6.593 -2.918 1.00 24.06 H new ATOM 0 HB ILE A 110 -21.980 9.252 -3.265 1.00 25.05 H new ATOM 0 HG12 ILE A 110 -24.470 8.651 -1.650 1.00 25.40 H new ATOM 0 HG13 ILE A 110 -22.868 8.592 -0.942 1.00 25.40 H new ATOM 0 HG21 ILE A 110 -24.122 9.994 -4.218 1.00 26.06 H new ATOM 0 HG22 ILE A 110 -23.415 8.667 -5.169 1.00 26.06 H new ATOM 0 HG23 ILE A 110 -24.768 8.344 -4.058 1.00 26.06 H new ATOM 0 HD11 ILE A 110 -23.934 10.747 -0.519 1.00 26.28 H new ATOM 0 HD12 ILE A 110 -22.497 10.952 -1.549 1.00 26.28 H new ATOM 0 HD13 ILE A 110 -24.124 11.012 -2.268 1.00 26.28 H new ATOM 1695 N ASN A 111 -20.595 6.991 -4.559 1.00 23.14 N ATOM 1696 CA ASN A 111 -19.899 6.627 -5.788 1.00 22.94 C ATOM 1697 C ASN A 111 -20.069 5.135 -6.060 1.00 22.38 C ATOM 1698 O ASN A 111 -20.219 4.712 -7.207 1.00 22.72 O ATOM 1699 CB ASN A 111 -18.413 6.985 -5.690 1.00 22.34 C ATOM 1700 CG ASN A 111 -18.146 8.435 -6.046 1.00 23.08 C ATOM 1701 OD1 ASN A 111 -18.859 9.029 -6.855 1.00 23.74 O ATOM 1702 ND2 ASN A 111 -17.116 9.013 -5.439 1.00 23.04 N ATOM 0 H ASN A 111 -20.003 7.413 -3.844 1.00 23.14 H new ATOM 0 HA ASN A 111 -20.333 7.189 -6.615 1.00 22.94 H new ATOM 0 HB2 ASN A 111 -18.061 6.791 -4.677 1.00 22.34 H new ATOM 0 HB3 ASN A 111 -17.841 6.338 -6.356 1.00 22.34 H new ATOM 0 HD21 ASN A 111 -16.889 9.988 -5.637 1.00 23.04 H new ATOM 0 HD22 ASN A 111 -16.552 8.482 -4.775 1.00 23.04 H new ATOM 1709 N LEU A 112 -20.044 4.345 -4.989 1.00 21.58 N ATOM 1710 CA LEU A 112 -20.222 2.899 -5.085 1.00 21.04 C ATOM 1711 C LEU A 112 -21.696 2.558 -4.859 1.00 21.87 C ATOM 1712 O LEU A 112 -22.402 2.151 -5.783 1.00 21.84 O ATOM 1713 CB LEU A 112 -19.339 2.174 -4.056 1.00 20.05 C ATOM 1714 CG LEU A 112 -17.860 2.582 -4.044 1.00 19.21 C ATOM 1715 CD1 LEU A 112 -17.669 3.904 -3.315 1.00 19.02 C ATOM 1716 CD2 LEU A 112 -17.018 1.495 -3.394 1.00 18.68 C ATOM 0 H LEU A 112 -19.901 4.686 -4.038 1.00 21.58 H new ATOM 0 HA LEU A 112 -19.921 2.566 -6.078 1.00 21.04 H new ATOM 0 HB2 LEU A 112 -19.753 2.348 -3.063 1.00 20.05 H new ATOM 0 HB3 LEU A 112 -19.400 1.102 -4.244 1.00 20.05 H new ATOM 0 HG LEU A 112 -17.533 2.710 -5.076 1.00 19.21 H new ATOM 0 HD11 LEU A 112 -16.613 4.173 -3.319 1.00 19.02 H new ATOM 0 HD12 LEU A 112 -18.244 4.683 -3.817 1.00 19.02 H new ATOM 0 HD13 LEU A 112 -18.014 3.805 -2.286 1.00 19.02 H new ATOM 0 HD21 LEU A 112 -15.971 1.798 -3.392 1.00 18.68 H new ATOM 0 HD22 LEU A 112 -17.353 1.340 -2.368 1.00 18.68 H new ATOM 0 HD23 LEU A 112 -17.126 0.567 -3.955 1.00 18.68 H new ATOM 1728 N GLY A 113 -22.147 2.727 -3.619 1.00 22.70 N ATOM 1729 CA GLY A 113 -23.534 2.488 -3.271 1.00 23.62 C ATOM 1730 C GLY A 113 -24.274 3.793 -3.079 1.00 23.76 C ATOM 1731 O GLY A 113 -24.514 4.225 -1.952 1.00 24.44 O ATOM 0 H GLY A 113 -21.564 3.030 -2.839 1.00 22.70 H new ATOM 0 HA2 GLY A 113 -24.015 1.905 -4.056 1.00 23.62 H new ATOM 0 HA3 GLY A 113 -23.587 1.897 -2.357 1.00 23.62 H new ATOM 1735 N GLU A 114 -24.615 4.411 -4.205 1.00 23.22 N ATOM 1736 CA GLU A 114 -25.312 5.678 -4.265 1.00 23.41 C ATOM 1737 C GLU A 114 -26.034 6.069 -2.978 1.00 24.22 C ATOM 1738 O GLU A 114 -25.533 6.884 -2.204 1.00 24.14 O ATOM 1739 CB GLU A 114 -26.289 5.629 -5.423 1.00 22.59 C ATOM 1740 CG GLU A 114 -26.260 4.323 -6.190 1.00 21.89 C ATOM 1741 CD GLU A 114 -27.309 4.258 -7.283 1.00 21.84 C ATOM 1742 OE1 GLU A 114 -27.013 4.693 -8.416 1.00 21.97 O ATOM 1743 OE2 GLU A 114 -28.425 3.772 -7.008 1.00 21.76 O ATOM 0 H GLU A 114 -24.405 4.027 -5.126 1.00 23.22 H new ATOM 0 HA GLU A 114 -24.557 6.451 -4.408 1.00 23.41 H new ATOM 0 HB2 GLU A 114 -27.297 5.795 -5.043 1.00 22.59 H new ATOM 0 HB3 GLU A 114 -26.068 6.447 -6.108 1.00 22.59 H new ATOM 0 HG2 GLU A 114 -25.273 4.189 -6.632 1.00 21.89 H new ATOM 0 HG3 GLU A 114 -26.413 3.496 -5.496 1.00 21.89 H new ATOM 1750 N LYS A 115 -27.204 5.492 -2.747 1.00 25.07 N ATOM 1751 CA LYS A 115 -27.995 5.840 -1.573 1.00 25.94 C ATOM 1752 C LYS A 115 -27.685 4.958 -0.368 1.00 25.87 C ATOM 1753 O LYS A 115 -27.883 3.743 -0.400 1.00 26.08 O ATOM 1754 CB LYS A 115 -29.485 5.750 -1.906 1.00 27.05 C ATOM 1755 CG LYS A 115 -29.888 6.575 -3.117 1.00 27.83 C ATOM 1756 CD LYS A 115 -31.369 6.424 -3.422 1.00 28.38 C ATOM 1757 CE LYS A 115 -31.753 7.155 -4.699 1.00 29.16 C ATOM 1758 NZ LYS A 115 -31.443 8.610 -4.622 1.00 29.75 N ATOM 0 H LYS A 115 -27.625 4.786 -3.351 1.00 25.07 H new ATOM 0 HA LYS A 115 -27.729 6.861 -1.301 1.00 25.94 H new ATOM 0 HB2 LYS A 115 -29.747 4.707 -2.084 1.00 27.05 H new ATOM 0 HB3 LYS A 115 -30.062 6.081 -1.043 1.00 27.05 H new ATOM 0 HG2 LYS A 115 -29.657 7.625 -2.937 1.00 27.83 H new ATOM 0 HG3 LYS A 115 -29.303 6.264 -3.982 1.00 27.83 H new ATOM 0 HD2 LYS A 115 -31.616 5.367 -3.519 1.00 28.38 H new ATOM 0 HD3 LYS A 115 -31.955 6.813 -2.589 1.00 28.38 H new ATOM 0 HE2 LYS A 115 -31.222 6.715 -5.543 1.00 29.16 H new ATOM 0 HE3 LYS A 115 -32.818 7.020 -4.888 1.00 29.16 H new ATOM 0 HZ1 LYS A 115 -31.855 9.097 -5.443 1.00 29.75 H new ATOM 0 HZ2 LYS A 115 -31.845 9.005 -3.748 1.00 29.75 H new ATOM 0 HZ3 LYS A 115 -30.412 8.746 -4.621 1.00 29.75 H new ATOM 1772 N VAL A 116 -27.198 5.589 0.698 1.00 25.67 N ATOM 1773 CA VAL A 116 -26.893 4.891 1.941 1.00 25.69 C ATOM 1774 C VAL A 116 -27.177 5.780 3.135 1.00 26.53 C ATOM 1775 O VAL A 116 -26.767 6.941 3.167 1.00 26.78 O ATOM 1776 CB VAL A 116 -25.430 4.431 2.039 1.00 24.51 C ATOM 1777 CG1 VAL A 116 -25.203 3.172 1.220 1.00 23.77 C ATOM 1778 CG2 VAL A 116 -24.478 5.544 1.623 1.00 24.02 C ATOM 0 H VAL A 116 -27.006 6.590 0.724 1.00 25.67 H new ATOM 0 HA VAL A 116 -27.533 4.009 1.942 1.00 25.69 H new ATOM 0 HB VAL A 116 -25.219 4.191 3.081 1.00 24.51 H new ATOM 0 HG11 VAL A 116 -24.160 2.866 1.305 1.00 23.77 H new ATOM 0 HG12 VAL A 116 -25.847 2.375 1.592 1.00 23.77 H new ATOM 0 HG13 VAL A 116 -25.439 3.371 0.174 1.00 23.77 H new ATOM 0 HG21 VAL A 116 -23.450 5.192 1.702 1.00 24.02 H new ATOM 0 HG22 VAL A 116 -24.685 5.833 0.593 1.00 24.02 H new ATOM 0 HG23 VAL A 116 -24.617 6.405 2.276 1.00 24.02 H new ATOM 1788 N THR A 117 -27.876 5.236 4.116 1.00 27.04 N ATOM 1789 CA THR A 117 -28.189 5.988 5.313 1.00 27.90 C ATOM 1790 C THR A 117 -26.968 6.067 6.216 1.00 27.38 C ATOM 1791 O THR A 117 -26.259 5.077 6.399 1.00 26.61 O ATOM 1792 CB THR A 117 -29.363 5.365 6.090 1.00 28.88 C ATOM 1793 OG1 THR A 117 -29.062 4.005 6.428 1.00 28.45 O ATOM 1794 CG2 THR A 117 -30.643 5.415 5.267 1.00 29.54 C ATOM 0 H THR A 117 -28.235 4.281 4.106 1.00 27.04 H new ATOM 0 HA THR A 117 -28.484 6.990 5.001 1.00 27.90 H new ATOM 0 HB THR A 117 -29.512 5.942 7.003 1.00 28.88 H new ATOM 0 HG1 THR A 117 -29.813 3.617 6.923 1.00 28.45 H new ATOM 0 HG21 THR A 117 -31.459 4.969 5.836 1.00 29.54 H new ATOM 0 HG22 THR A 117 -30.886 6.452 5.035 1.00 29.54 H new ATOM 0 HG23 THR A 117 -30.501 4.860 4.340 1.00 29.54 H new ATOM 1802 N ASP A 118 -26.720 7.254 6.765 1.00 27.85 N ATOM 1803 CA ASP A 118 -25.582 7.466 7.651 1.00 27.53 C ATOM 1804 C ASP A 118 -25.519 6.380 8.716 1.00 27.56 C ATOM 1805 O ASP A 118 -24.468 6.139 9.304 1.00 27.11 O ATOM 1806 CB ASP A 118 -25.672 8.842 8.314 1.00 28.39 C ATOM 1807 CG ASP A 118 -25.643 9.973 7.305 1.00 28.44 C ATOM 1808 OD1 ASP A 118 -26.723 10.350 6.804 1.00 28.40 O ATOM 1809 OD2 ASP A 118 -24.540 10.483 7.016 1.00 28.58 O ATOM 0 H ASP A 118 -27.293 8.083 6.611 1.00 27.85 H new ATOM 0 HA ASP A 118 -24.672 7.420 7.052 1.00 27.53 H new ATOM 0 HB2 ASP A 118 -26.591 8.902 8.897 1.00 28.39 H new ATOM 0 HB3 ASP A 118 -24.844 8.961 9.012 1.00 28.39 H new ATOM 1814 N GLU A 119 -26.654 5.731 8.956 1.00 28.18 N ATOM 1815 CA GLU A 119 -26.738 4.666 9.946 1.00 28.39 C ATOM 1816 C GLU A 119 -26.212 3.347 9.384 1.00 27.39 C ATOM 1817 O GLU A 119 -25.448 2.644 10.044 1.00 26.99 O ATOM 1818 CB GLU A 119 -28.186 4.489 10.407 1.00 29.53 C ATOM 1819 CG GLU A 119 -28.877 5.794 10.764 1.00 30.59 C ATOM 1820 CD GLU A 119 -30.286 5.583 11.281 1.00 31.58 C ATOM 1821 OE1 GLU A 119 -31.205 5.423 10.452 1.00 32.06 O ATOM 1822 OE2 GLU A 119 -30.470 5.577 12.517 1.00 31.92 O ATOM 0 H GLU A 119 -27.532 5.926 8.475 1.00 28.18 H new ATOM 0 HA GLU A 119 -26.118 4.949 10.796 1.00 28.39 H new ATOM 0 HB2 GLU A 119 -28.751 3.993 9.618 1.00 29.53 H new ATOM 0 HB3 GLU A 119 -28.204 3.830 11.275 1.00 29.53 H new ATOM 0 HG2 GLU A 119 -28.291 6.317 11.520 1.00 30.59 H new ATOM 0 HG3 GLU A 119 -28.909 6.437 9.884 1.00 30.59 H new ATOM 1829 N GLU A 120 -26.622 3.019 8.158 1.00 27.04 N ATOM 1830 CA GLU A 120 -26.205 1.773 7.521 1.00 26.15 C ATOM 1831 C GLU A 120 -24.686 1.708 7.349 1.00 24.97 C ATOM 1832 O GLU A 120 -24.070 0.667 7.601 1.00 24.41 O ATOM 1833 CB GLU A 120 -26.929 1.585 6.177 1.00 26.05 C ATOM 1834 CG GLU A 120 -26.257 2.248 4.983 1.00 25.61 C ATOM 1835 CD GLU A 120 -25.366 1.291 4.213 1.00 25.53 C ATOM 1836 OE1 GLU A 120 -24.205 1.093 4.627 1.00 24.93 O ATOM 1837 OE2 GLU A 120 -25.833 0.735 3.197 1.00 26.13 O ATOM 0 H GLU A 120 -27.240 3.598 7.589 1.00 27.04 H new ATOM 0 HA GLU A 120 -26.487 0.950 8.178 1.00 26.15 H new ATOM 0 HB2 GLU A 120 -27.019 0.517 5.977 1.00 26.05 H new ATOM 0 HB3 GLU A 120 -27.941 1.979 6.269 1.00 26.05 H new ATOM 0 HG2 GLU A 120 -27.021 2.646 4.315 1.00 25.61 H new ATOM 0 HG3 GLU A 120 -25.663 3.094 5.328 1.00 25.61 H new ATOM 1844 N ILE A 121 -24.074 2.819 6.948 1.00 24.65 N ATOM 1845 CA ILE A 121 -22.633 2.842 6.753 1.00 23.60 C ATOM 1846 C ILE A 121 -21.909 3.005 8.083 1.00 23.80 C ATOM 1847 O ILE A 121 -20.810 2.483 8.264 1.00 23.05 O ATOM 1848 CB ILE A 121 -22.191 3.942 5.766 1.00 23.30 C ATOM 1849 CG1 ILE A 121 -22.579 5.330 6.274 1.00 24.33 C ATOM 1850 CG2 ILE A 121 -22.791 3.691 4.391 1.00 22.99 C ATOM 1851 CD1 ILE A 121 -22.050 6.456 5.416 1.00 24.19 C ATOM 0 H ILE A 121 -24.548 3.702 6.755 1.00 24.65 H new ATOM 0 HA ILE A 121 -22.360 1.882 6.314 1.00 23.60 H new ATOM 0 HB ILE A 121 -21.104 3.907 5.687 1.00 23.30 H new ATOM 0 HG12 ILE A 121 -23.666 5.400 6.322 1.00 24.33 H new ATOM 0 HG13 ILE A 121 -22.207 5.453 7.291 1.00 24.33 H new ATOM 0 HG21 ILE A 121 -22.470 4.475 3.705 1.00 22.99 H new ATOM 0 HG22 ILE A 121 -22.455 2.723 4.018 1.00 22.99 H new ATOM 0 HG23 ILE A 121 -23.879 3.694 4.463 1.00 22.99 H new ATOM 0 HD11 ILE A 121 -22.364 7.412 5.836 1.00 24.19 H new ATOM 0 HD12 ILE A 121 -20.961 6.412 5.388 1.00 24.19 H new ATOM 0 HD13 ILE A 121 -22.443 6.358 4.404 1.00 24.19 H new ATOM 1863 N ASP A 122 -22.526 3.730 9.014 1.00 24.87 N ATOM 1864 CA ASP A 122 -21.931 3.912 10.331 1.00 25.26 C ATOM 1865 C ASP A 122 -21.872 2.567 11.038 1.00 25.13 C ATOM 1866 O ASP A 122 -20.993 2.318 11.863 1.00 24.95 O ATOM 1867 CB ASP A 122 -22.734 4.909 11.168 1.00 26.55 C ATOM 1868 CG ASP A 122 -22.172 5.078 12.566 1.00 27.08 C ATOM 1869 OD1 ASP A 122 -21.247 5.898 12.738 1.00 27.39 O ATOM 1870 OD2 ASP A 122 -22.658 4.389 13.488 1.00 27.28 O ATOM 0 H ASP A 122 -23.425 4.194 8.882 1.00 24.87 H new ATOM 0 HA ASP A 122 -20.925 4.314 10.210 1.00 25.26 H new ATOM 0 HB2 ASP A 122 -22.744 5.876 10.665 1.00 26.55 H new ATOM 0 HB3 ASP A 122 -23.769 4.573 11.234 1.00 26.55 H new ATOM 1875 N GLU A 123 -22.825 1.701 10.697 1.00 25.32 N ATOM 1876 CA GLU A 123 -22.886 0.365 11.270 1.00 25.30 C ATOM 1877 C GLU A 123 -21.741 -0.478 10.730 1.00 24.05 C ATOM 1878 O GLU A 123 -21.081 -1.197 11.481 1.00 23.89 O ATOM 1879 CB GLU A 123 -24.226 -0.302 10.949 1.00 25.91 C ATOM 1880 CG GLU A 123 -25.369 0.163 11.838 1.00 27.23 C ATOM 1881 CD GLU A 123 -26.690 -0.481 11.470 1.00 27.86 C ATOM 1882 OE1 GLU A 123 -26.956 -1.605 11.947 1.00 27.98 O ATOM 1883 OE2 GLU A 123 -27.461 0.138 10.706 1.00 28.28 O ATOM 0 H GLU A 123 -23.565 1.905 10.025 1.00 25.32 H new ATOM 0 HA GLU A 123 -22.795 0.446 12.353 1.00 25.30 H new ATOM 0 HB2 GLU A 123 -24.482 -0.101 9.909 1.00 25.91 H new ATOM 0 HB3 GLU A 123 -24.117 -1.382 11.048 1.00 25.91 H new ATOM 0 HG2 GLU A 123 -25.133 -0.067 12.877 1.00 27.23 H new ATOM 0 HG3 GLU A 123 -25.464 1.246 11.765 1.00 27.23 H new ATOM 1890 N MET A 124 -21.509 -0.386 9.421 1.00 23.22 N ATOM 1891 CA MET A 124 -20.426 -1.128 8.795 1.00 21.99 C ATOM 1892 C MET A 124 -19.087 -0.697 9.385 1.00 21.54 C ATOM 1893 O MET A 124 -18.151 -1.491 9.483 1.00 20.82 O ATOM 1894 CB MET A 124 -20.435 -0.908 7.282 1.00 21.32 C ATOM 1895 CG MET A 124 -19.208 -1.463 6.580 1.00 20.01 C ATOM 1896 SD MET A 124 -19.283 -1.279 4.787 1.00 19.35 S ATOM 1897 CE MET A 124 -19.121 0.497 4.621 1.00 19.76 C ATOM 0 H MET A 124 -22.054 0.192 8.781 1.00 23.22 H new ATOM 0 HA MET A 124 -20.570 -2.191 8.991 1.00 21.99 H new ATOM 0 HB2 MET A 124 -21.326 -1.374 6.861 1.00 21.32 H new ATOM 0 HB3 MET A 124 -20.507 0.160 7.079 1.00 21.32 H new ATOM 0 HG2 MET A 124 -18.320 -0.955 6.956 1.00 20.01 H new ATOM 0 HG3 MET A 124 -19.100 -2.519 6.828 1.00 20.01 H new ATOM 0 HE1 MET A 124 -18.918 0.748 3.580 1.00 19.76 H new ATOM 0 HE2 MET A 124 -20.047 0.978 4.937 1.00 19.76 H new ATOM 0 HE3 MET A 124 -18.299 0.847 5.245 1.00 19.76 H new ATOM 1907 N ILE A 125 -19.010 0.570 9.779 1.00 22.08 N ATOM 1908 CA ILE A 125 -17.799 1.121 10.371 1.00 21.89 C ATOM 1909 C ILE A 125 -17.620 0.622 11.801 1.00 22.49 C ATOM 1910 O ILE A 125 -16.517 0.265 12.210 1.00 22.09 O ATOM 1911 CB ILE A 125 -17.832 2.664 10.374 1.00 22.46 C ATOM 1912 CG1 ILE A 125 -17.816 3.195 8.938 1.00 21.89 C ATOM 1913 CG2 ILE A 125 -16.661 3.225 11.173 1.00 22.55 C ATOM 1914 CD1 ILE A 125 -17.984 4.697 8.842 1.00 22.55 C ATOM 0 H ILE A 125 -19.778 1.237 9.698 1.00 22.08 H new ATOM 0 HA ILE A 125 -16.959 0.785 9.763 1.00 21.89 H new ATOM 0 HB ILE A 125 -18.754 2.993 10.853 1.00 22.46 H new ATOM 0 HG12 ILE A 125 -16.875 2.913 8.466 1.00 21.89 H new ATOM 0 HG13 ILE A 125 -18.613 2.712 8.373 1.00 21.89 H new ATOM 0 HG21 ILE A 125 -16.702 4.314 11.163 1.00 22.55 H new ATOM 0 HG22 ILE A 125 -16.719 2.869 12.202 1.00 22.55 H new ATOM 0 HG23 ILE A 125 -15.724 2.893 10.726 1.00 22.55 H new ATOM 0 HD11 ILE A 125 -17.963 4.999 7.795 1.00 22.55 H new ATOM 0 HD12 ILE A 125 -18.938 4.985 9.283 1.00 22.55 H new ATOM 0 HD13 ILE A 125 -17.173 5.189 9.378 1.00 22.55 H new ATOM 1926 N ARG A 126 -18.715 0.603 12.554 1.00 23.53 N ATOM 1927 CA ARG A 126 -18.686 0.150 13.939 1.00 24.28 C ATOM 1928 C ARG A 126 -18.274 -1.316 14.022 1.00 23.77 C ATOM 1929 O ARG A 126 -17.557 -1.719 14.939 1.00 23.91 O ATOM 1930 CB ARG A 126 -20.057 0.347 14.589 1.00 25.52 C ATOM 1931 CG ARG A 126 -20.119 -0.114 16.034 1.00 26.44 C ATOM 1932 CD ARG A 126 -21.503 0.097 16.623 1.00 27.30 C ATOM 1933 NE ARG A 126 -21.584 -0.358 18.008 1.00 28.16 N ATOM 1934 CZ ARG A 126 -22.536 0.023 18.856 1.00 28.99 C ATOM 1935 NH1 ARG A 126 -23.477 0.870 18.464 1.00 29.08 N ATOM 1936 NH2 ARG A 126 -22.544 -0.443 20.097 1.00 29.80 N ATOM 0 H ARG A 126 -19.635 0.897 12.227 1.00 23.53 H new ATOM 0 HA ARG A 126 -17.949 0.746 14.477 1.00 24.28 H new ATOM 0 HB2 ARG A 126 -20.323 1.403 14.542 1.00 25.52 H new ATOM 0 HB3 ARG A 126 -20.805 -0.196 14.011 1.00 25.52 H new ATOM 0 HG2 ARG A 126 -19.854 -1.170 16.093 1.00 26.44 H new ATOM 0 HG3 ARG A 126 -19.383 0.433 16.624 1.00 26.44 H new ATOM 0 HD2 ARG A 126 -21.760 1.155 16.573 1.00 27.30 H new ATOM 0 HD3 ARG A 126 -22.238 -0.438 16.022 1.00 27.30 H new ATOM 0 HE ARG A 126 -20.870 -1.005 18.345 1.00 28.16 H new ATOM 0 HH11 ARG A 126 -23.473 1.231 17.510 1.00 29.08 H new ATOM 0 HH12 ARG A 126 -24.206 1.160 19.116 1.00 29.08 H new ATOM 0 HH21 ARG A 126 -21.820 -1.094 20.402 1.00 29.80 H new ATOM 0 HH22 ARG A 126 -23.274 -0.151 20.747 1.00 29.80 H new ATOM 1950 N GLU A 127 -18.735 -2.108 13.061 1.00 23.26 N ATOM 1951 CA GLU A 127 -18.414 -3.529 13.022 1.00 22.80 C ATOM 1952 C GLU A 127 -16.942 -3.744 12.686 1.00 21.68 C ATOM 1953 O GLU A 127 -16.363 -4.779 13.018 1.00 21.50 O ATOM 1954 CB GLU A 127 -19.296 -4.245 11.995 1.00 22.59 C ATOM 1955 CG GLU A 127 -20.752 -4.357 12.417 1.00 23.70 C ATOM 1956 CD GLU A 127 -21.597 -5.102 11.403 1.00 23.91 C ATOM 1957 OE1 GLU A 127 -21.513 -6.347 11.360 1.00 23.95 O ATOM 1958 OE2 GLU A 127 -22.339 -4.439 10.647 1.00 24.13 O ATOM 0 H GLU A 127 -19.333 -1.790 12.298 1.00 23.26 H new ATOM 0 HA GLU A 127 -18.607 -3.948 14.010 1.00 22.80 H new ATOM 0 HB2 GLU A 127 -19.241 -3.711 11.046 1.00 22.59 H new ATOM 0 HB3 GLU A 127 -18.899 -5.245 11.821 1.00 22.59 H new ATOM 0 HG2 GLU A 127 -20.810 -4.868 13.378 1.00 23.70 H new ATOM 0 HG3 GLU A 127 -21.162 -3.358 12.562 1.00 23.70 H new ATOM 1965 N ALA A 128 -16.342 -2.757 12.028 1.00 21.01 N ATOM 1966 CA ALA A 128 -14.937 -2.833 11.646 1.00 19.97 C ATOM 1967 C ALA A 128 -14.062 -2.041 12.609 1.00 20.40 C ATOM 1968 O ALA A 128 -12.836 -2.152 12.584 1.00 19.88 O ATOM 1969 CB ALA A 128 -14.751 -2.321 10.226 1.00 19.05 C ATOM 0 H ALA A 128 -16.808 -1.894 11.748 1.00 21.01 H new ATOM 0 HA ALA A 128 -14.630 -3.878 11.691 1.00 19.97 H new ATOM 0 HB1 ALA A 128 -13.698 -2.383 9.952 1.00 19.05 H new ATOM 0 HB2 ALA A 128 -15.341 -2.929 9.540 1.00 19.05 H new ATOM 0 HB3 ALA A 128 -15.081 -1.284 10.167 1.00 19.05 H new ATOM 1975 N ASP A 129 -14.700 -1.243 13.457 1.00 21.43 N ATOM 1976 CA ASP A 129 -13.980 -0.428 14.426 1.00 22.05 C ATOM 1977 C ASP A 129 -13.735 -1.204 15.715 1.00 22.75 C ATOM 1978 O ASP A 129 -14.655 -1.433 16.500 1.00 23.69 O ATOM 1979 CB ASP A 129 -14.754 0.857 14.717 1.00 22.95 C ATOM 1980 CG ASP A 129 -14.072 1.721 15.758 1.00 23.80 C ATOM 1981 OD1 ASP A 129 -13.099 2.421 15.405 1.00 24.38 O ATOM 1982 OD2 ASP A 129 -14.510 1.698 16.926 1.00 23.96 O ATOM 0 H ASP A 129 -15.715 -1.143 13.493 1.00 21.43 H new ATOM 0 HA ASP A 129 -13.012 -0.166 13.999 1.00 22.05 H new ATOM 0 HB2 ASP A 129 -14.867 1.426 13.794 1.00 22.95 H new ATOM 0 HB3 ASP A 129 -15.757 0.604 15.060 1.00 22.95 H new ATOM 1987 N PHE A 130 -12.483 -1.602 15.926 1.00 22.35 N ATOM 1988 CA PHE A 130 -12.111 -2.359 17.118 1.00 23.04 C ATOM 1989 C PHE A 130 -11.701 -1.431 18.257 1.00 24.02 C ATOM 1990 O PHE A 130 -12.117 -1.615 19.400 1.00 25.05 O ATOM 1991 CB PHE A 130 -10.965 -3.321 16.795 1.00 22.22 C ATOM 1992 CG PHE A 130 -11.273 -4.264 15.667 1.00 21.35 C ATOM 1993 CD1 PHE A 130 -12.042 -5.396 15.885 1.00 21.23 C ATOM 1994 CD2 PHE A 130 -10.794 -4.018 14.390 1.00 20.73 C ATOM 1995 CE1 PHE A 130 -12.328 -6.265 14.850 1.00 20.51 C ATOM 1996 CE2 PHE A 130 -11.077 -4.884 13.352 1.00 20.01 C ATOM 1997 CZ PHE A 130 -11.839 -6.007 13.578 1.00 19.90 C ATOM 0 H PHE A 130 -11.710 -1.413 15.288 1.00 22.35 H new ATOM 0 HA PHE A 130 -12.983 -2.929 17.439 1.00 23.04 H new ATOM 0 HB2 PHE A 130 -10.076 -2.743 16.542 1.00 22.22 H new ATOM 0 HB3 PHE A 130 -10.725 -3.900 17.687 1.00 22.22 H new ATOM 0 HD1 PHE A 130 -12.422 -5.601 16.875 1.00 21.23 H new ATOM 0 HD2 PHE A 130 -10.193 -3.140 14.205 1.00 20.73 H new ATOM 0 HE1 PHE A 130 -12.931 -7.143 15.031 1.00 20.51 H new ATOM 0 HE2 PHE A 130 -10.699 -4.679 12.361 1.00 20.01 H new ATOM 0 HZ PHE A 130 -12.056 -6.686 12.767 1.00 19.90 H new ATOM 2007 N ASP A 131 -10.879 -0.434 17.938 1.00 23.76 N ATOM 2008 CA ASP A 131 -10.406 0.521 18.936 1.00 24.71 C ATOM 2009 C ASP A 131 -11.570 1.220 19.636 1.00 25.78 C ATOM 2010 O ASP A 131 -11.822 0.983 20.818 1.00 26.78 O ATOM 2011 CB ASP A 131 -9.483 1.553 18.284 1.00 24.21 C ATOM 2012 CG ASP A 131 -9.966 1.979 16.912 1.00 23.32 C ATOM 2013 OD1 ASP A 131 -9.641 1.284 15.926 1.00 22.53 O ATOM 2014 OD2 ASP A 131 -10.667 3.006 16.822 1.00 23.46 O ATOM 0 H ASP A 131 -10.527 -0.267 16.996 1.00 23.76 H new ATOM 0 HA ASP A 131 -9.847 -0.032 19.690 1.00 24.71 H new ATOM 0 HB2 ASP A 131 -9.410 2.429 18.928 1.00 24.21 H new ATOM 0 HB3 ASP A 131 -8.480 1.136 18.199 1.00 24.21 H new ATOM 2019 N GLY A 132 -12.276 2.079 18.906 1.00 25.60 N ATOM 2020 CA GLY A 132 -13.401 2.792 19.484 1.00 26.62 C ATOM 2021 C GLY A 132 -13.286 4.297 19.330 1.00 26.95 C ATOM 2022 O GLY A 132 -12.999 5.005 20.295 1.00 27.86 O ATOM 0 H GLY A 132 -12.089 2.294 17.926 1.00 25.60 H new ATOM 0 HA2 GLY A 132 -14.322 2.452 19.011 1.00 26.62 H new ATOM 0 HA3 GLY A 132 -13.477 2.545 20.543 1.00 26.62 H new ATOM 2026 N ASP A 133 -13.511 4.788 18.114 1.00 26.26 N ATOM 2027 CA ASP A 133 -13.437 6.221 17.844 1.00 26.58 C ATOM 2028 C ASP A 133 -14.263 6.602 16.616 1.00 26.27 C ATOM 2029 O ASP A 133 -14.207 7.741 16.151 1.00 26.65 O ATOM 2030 CB ASP A 133 -11.981 6.654 17.651 1.00 26.12 C ATOM 2031 CG ASP A 133 -11.254 5.820 16.613 1.00 24.90 C ATOM 2032 OD1 ASP A 133 -11.903 5.395 15.634 1.00 24.55 O ATOM 2033 OD2 ASP A 133 -10.037 5.588 16.778 1.00 24.32 O ATOM 0 H ASP A 133 -13.745 4.217 17.302 1.00 26.26 H new ATOM 0 HA ASP A 133 -13.854 6.741 18.706 1.00 26.58 H new ATOM 0 HB2 ASP A 133 -11.955 7.702 17.352 1.00 26.12 H new ATOM 0 HB3 ASP A 133 -11.455 6.581 18.603 1.00 26.12 H new ATOM 2038 N GLY A 134 -15.032 5.647 16.100 1.00 25.66 N ATOM 2039 CA GLY A 134 -15.857 5.906 14.933 1.00 25.42 C ATOM 2040 C GLY A 134 -15.039 6.275 13.711 1.00 24.43 C ATOM 2041 O GLY A 134 -15.460 7.102 12.900 1.00 24.42 O ATOM 0 H GLY A 134 -15.098 4.699 16.469 1.00 25.66 H new ATOM 0 HA2 GLY A 134 -16.455 5.022 14.712 1.00 25.42 H new ATOM 0 HA3 GLY A 134 -16.553 6.714 15.157 1.00 25.42 H new ATOM 2045 N MET A 135 -13.868 5.661 13.578 1.00 23.66 N ATOM 2046 CA MET A 135 -12.982 5.929 12.448 1.00 22.72 C ATOM 2047 C MET A 135 -12.451 4.627 11.856 1.00 21.56 C ATOM 2048 O MET A 135 -12.413 3.602 12.536 1.00 21.55 O ATOM 2049 CB MET A 135 -11.813 6.813 12.886 1.00 23.01 C ATOM 2050 CG MET A 135 -12.245 8.128 13.513 1.00 24.25 C ATOM 2051 SD MET A 135 -13.104 9.204 12.350 1.00 24.43 S ATOM 2052 CE MET A 135 -11.761 9.651 11.250 1.00 23.79 C ATOM 0 H MET A 135 -13.509 4.973 14.240 1.00 23.66 H new ATOM 0 HA MET A 135 -13.557 6.451 11.684 1.00 22.72 H new ATOM 0 HB2 MET A 135 -11.201 6.263 13.601 1.00 23.01 H new ATOM 0 HB3 MET A 135 -11.183 7.022 12.021 1.00 23.01 H new ATOM 0 HG2 MET A 135 -12.897 7.924 14.362 1.00 24.25 H new ATOM 0 HG3 MET A 135 -11.368 8.646 13.901 1.00 24.25 H new ATOM 0 HE1 MET A 135 -12.075 10.474 10.608 1.00 23.79 H new ATOM 0 HE2 MET A 135 -10.897 9.960 11.838 1.00 23.79 H new ATOM 0 HE3 MET A 135 -11.493 8.792 10.635 1.00 23.79 H new ATOM 2062 N ILE A 136 -12.058 4.666 10.585 1.00 20.64 N ATOM 2063 CA ILE A 136 -11.527 3.479 9.920 1.00 19.48 C ATOM 2064 C ILE A 136 -10.081 3.676 9.487 1.00 18.80 C ATOM 2065 O ILE A 136 -9.738 4.670 8.854 1.00 18.85 O ATOM 2066 CB ILE A 136 -12.356 3.087 8.681 1.00 18.91 C ATOM 2067 CG1 ILE A 136 -13.765 2.646 9.091 1.00 19.65 C ATOM 2068 CG2 ILE A 136 -11.646 1.982 7.903 1.00 17.71 C ATOM 2069 CD1 ILE A 136 -13.792 1.402 9.956 1.00 19.77 C ATOM 0 H ILE A 136 -12.097 5.500 9.999 1.00 20.64 H new ATOM 0 HA ILE A 136 -11.584 2.678 10.657 1.00 19.48 H new ATOM 0 HB ILE A 136 -12.452 3.959 8.034 1.00 18.91 H new ATOM 0 HG12 ILE A 136 -14.248 3.461 9.629 1.00 19.65 H new ATOM 0 HG13 ILE A 136 -14.354 2.464 8.192 1.00 19.65 H new ATOM 0 HG21 ILE A 136 -12.240 1.712 7.030 1.00 17.71 H new ATOM 0 HG22 ILE A 136 -10.667 2.336 7.581 1.00 17.71 H new ATOM 0 HG23 ILE A 136 -11.524 1.108 8.542 1.00 17.71 H new ATOM 0 HD11 ILE A 136 -14.824 1.154 10.204 1.00 19.77 H new ATOM 0 HD12 ILE A 136 -13.340 0.572 9.414 1.00 19.77 H new ATOM 0 HD13 ILE A 136 -13.232 1.584 10.873 1.00 19.77 H new ATOM 2081 N ASN A 137 -9.250 2.702 9.820 1.00 18.27 N ATOM 2082 CA ASN A 137 -7.838 2.725 9.464 1.00 17.67 C ATOM 2083 C ASN A 137 -7.548 1.596 8.488 1.00 16.40 C ATOM 2084 O ASN A 137 -8.318 0.643 8.419 1.00 16.12 O ATOM 2085 CB ASN A 137 -6.966 2.577 10.714 1.00 18.25 C ATOM 2086 CG ASN A 137 -5.488 2.500 10.383 1.00 18.20 C ATOM 2087 OD1 ASN A 137 -4.938 1.415 10.195 1.00 18.03 O ATOM 2088 ND2 ASN A 137 -4.838 3.655 10.309 1.00 18.49 N ATOM 0 H ASN A 137 -9.533 1.874 10.344 1.00 18.27 H new ATOM 0 HA ASN A 137 -7.604 3.681 8.996 1.00 17.67 H new ATOM 0 HB2 ASN A 137 -7.143 3.422 11.379 1.00 18.25 H new ATOM 0 HB3 ASN A 137 -7.261 1.678 11.255 1.00 18.25 H new ATOM 0 HD21 ASN A 137 -3.842 3.667 10.089 1.00 18.49 H new ATOM 0 HD22 ASN A 137 -5.334 4.531 10.472 1.00 18.49 H new ATOM 2095 N TYR A 138 -6.472 1.713 7.711 1.00 15.73 N ATOM 2096 CA TYR A 138 -6.109 0.673 6.746 1.00 14.51 C ATOM 2097 C TYR A 138 -6.353 -0.727 7.318 1.00 14.21 C ATOM 2098 O TYR A 138 -6.599 -1.678 6.577 1.00 13.35 O ATOM 2099 CB TYR A 138 -4.641 0.826 6.334 1.00 14.11 C ATOM 2100 CG TYR A 138 -4.064 -0.394 5.647 1.00 12.93 C ATOM 2101 CD1 TYR A 138 -4.589 -0.858 4.447 1.00 12.60 C ATOM 2102 CD2 TYR A 138 -2.996 -1.085 6.207 1.00 12.24 C ATOM 2103 CE1 TYR A 138 -4.065 -1.975 3.823 1.00 11.56 C ATOM 2104 CE2 TYR A 138 -2.467 -2.202 5.589 1.00 11.18 C ATOM 2105 CZ TYR A 138 -3.005 -2.643 4.400 1.00 10.81 C ATOM 2106 OH TYR A 138 -2.481 -3.753 3.783 1.00 9.80 O ATOM 0 H TYR A 138 -5.839 2.512 7.729 1.00 15.73 H new ATOM 0 HA TYR A 138 -6.743 0.793 5.867 1.00 14.51 H new ATOM 0 HB2 TYR A 138 -4.549 1.683 5.667 1.00 14.11 H new ATOM 0 HB3 TYR A 138 -4.046 1.046 7.221 1.00 14.11 H new ATOM 0 HD1 TYR A 138 -5.420 -0.338 3.994 1.00 12.60 H new ATOM 0 HD2 TYR A 138 -2.573 -0.743 7.140 1.00 12.24 H new ATOM 0 HE1 TYR A 138 -4.483 -2.322 2.890 1.00 11.56 H new ATOM 0 HE2 TYR A 138 -1.636 -2.727 6.036 1.00 11.18 H new ATOM 0 HH TYR A 138 -1.739 -4.105 4.318 1.00 9.80 H new ATOM 2116 N GLU A 139 -6.306 -0.841 8.642 1.00 15.05 N ATOM 2117 CA GLU A 139 -6.523 -2.120 9.311 1.00 15.05 C ATOM 2118 C GLU A 139 -8.015 -2.417 9.420 1.00 15.40 C ATOM 2119 O GLU A 139 -8.485 -3.465 8.976 1.00 14.88 O ATOM 2120 CB GLU A 139 -5.886 -2.109 10.702 1.00 16.02 C ATOM 2121 CG GLU A 139 -4.375 -1.981 10.677 1.00 15.89 C ATOM 2122 CD GLU A 139 -3.757 -2.092 12.057 1.00 16.64 C ATOM 2123 OE1 GLU A 139 -3.457 -3.228 12.483 1.00 17.06 O ATOM 2124 OE2 GLU A 139 -3.572 -1.045 12.711 1.00 16.91 O ATOM 0 H GLU A 139 -6.119 -0.062 9.274 1.00 15.05 H new ATOM 0 HA GLU A 139 -6.053 -2.904 8.717 1.00 15.05 H new ATOM 0 HB2 GLU A 139 -6.303 -1.282 11.277 1.00 16.02 H new ATOM 0 HB3 GLU A 139 -6.156 -3.027 11.223 1.00 16.02 H new ATOM 0 HG2 GLU A 139 -3.959 -2.756 10.033 1.00 15.89 H new ATOM 0 HG3 GLU A 139 -4.103 -1.022 10.237 1.00 15.89 H new ATOM 2131 N GLU A 140 -8.752 -1.482 10.012 1.00 16.39 N ATOM 2132 CA GLU A 140 -10.194 -1.628 10.175 1.00 16.95 C ATOM 2133 C GLU A 140 -10.856 -1.818 8.811 1.00 16.22 C ATOM 2134 O GLU A 140 -11.847 -2.540 8.675 1.00 16.37 O ATOM 2135 CB GLU A 140 -10.779 -0.392 10.876 1.00 18.12 C ATOM 2136 CG GLU A 140 -9.890 0.170 11.980 1.00 18.79 C ATOM 2137 CD GLU A 140 -10.525 1.336 12.712 1.00 20.10 C ATOM 2138 OE1 GLU A 140 -11.470 1.101 13.494 1.00 20.52 O ATOM 2139 OE2 GLU A 140 -10.085 2.483 12.501 1.00 20.75 O ATOM 0 H GLU A 140 -8.373 -0.613 10.388 1.00 16.39 H new ATOM 0 HA GLU A 140 -10.390 -2.505 10.791 1.00 16.95 H new ATOM 0 HB2 GLU A 140 -10.955 0.386 10.133 1.00 18.12 H new ATOM 0 HB3 GLU A 140 -11.749 -0.652 11.301 1.00 18.12 H new ATOM 0 HG2 GLU A 140 -9.663 -0.621 12.695 1.00 18.79 H new ATOM 0 HG3 GLU A 140 -8.942 0.491 11.548 1.00 18.79 H new ATOM 2146 N PHE A 141 -10.282 -1.168 7.803 1.00 15.58 N ATOM 2147 CA PHE A 141 -10.791 -1.237 6.440 1.00 14.98 C ATOM 2148 C PHE A 141 -10.595 -2.630 5.852 1.00 14.05 C ATOM 2149 O PHE A 141 -11.550 -3.259 5.401 1.00 14.12 O ATOM 2150 CB PHE A 141 -10.080 -0.196 5.570 1.00 14.62 C ATOM 2151 CG PHE A 141 -10.531 -0.190 4.139 1.00 14.16 C ATOM 2152 CD1 PHE A 141 -9.904 -0.992 3.199 1.00 13.21 C ATOM 2153 CD2 PHE A 141 -11.581 0.615 3.733 1.00 14.81 C ATOM 2154 CE1 PHE A 141 -10.317 -0.992 1.883 1.00 12.98 C ATOM 2155 CE2 PHE A 141 -11.999 0.623 2.417 1.00 14.61 C ATOM 2156 CZ PHE A 141 -11.367 -0.183 1.490 1.00 13.73 C ATOM 0 H PHE A 141 -9.454 -0.581 7.909 1.00 15.58 H new ATOM 0 HA PHE A 141 -11.860 -1.025 6.460 1.00 14.98 H new ATOM 0 HB2 PHE A 141 -10.245 0.793 5.997 1.00 14.62 H new ATOM 0 HB3 PHE A 141 -9.007 -0.382 5.602 1.00 14.62 H new ATOM 0 HD1 PHE A 141 -9.082 -1.625 3.500 1.00 13.21 H new ATOM 0 HD2 PHE A 141 -12.080 1.245 4.455 1.00 14.81 H new ATOM 0 HE1 PHE A 141 -9.821 -1.623 1.161 1.00 12.98 H new ATOM 0 HE2 PHE A 141 -12.818 1.258 2.113 1.00 14.61 H new ATOM 0 HZ PHE A 141 -11.693 -0.181 0.460 1.00 13.73 H new ATOM 2166 N VAL A 142 -9.350 -3.101 5.858 1.00 13.29 N ATOM 2167 CA VAL A 142 -9.021 -4.423 5.330 1.00 12.40 C ATOM 2168 C VAL A 142 -9.962 -5.490 5.882 1.00 12.96 C ATOM 2169 O VAL A 142 -10.339 -6.428 5.175 1.00 12.60 O ATOM 2170 CB VAL A 142 -7.559 -4.803 5.661 1.00 11.84 C ATOM 2171 CG1 VAL A 142 -7.348 -6.310 5.585 1.00 11.29 C ATOM 2172 CG2 VAL A 142 -6.602 -4.084 4.724 1.00 11.16 C ATOM 0 H VAL A 142 -8.550 -2.585 6.224 1.00 13.29 H new ATOM 0 HA VAL A 142 -9.141 -4.377 4.248 1.00 12.40 H new ATOM 0 HB VAL A 142 -7.353 -4.489 6.684 1.00 11.84 H new ATOM 0 HG11 VAL A 142 -6.310 -6.545 5.823 1.00 11.29 H new ATOM 0 HG12 VAL A 142 -8.005 -6.806 6.299 1.00 11.29 H new ATOM 0 HG13 VAL A 142 -7.577 -6.659 4.578 1.00 11.29 H new ATOM 0 HG21 VAL A 142 -5.577 -4.361 4.969 1.00 11.16 H new ATOM 0 HG22 VAL A 142 -6.819 -4.368 3.694 1.00 11.16 H new ATOM 0 HG23 VAL A 142 -6.723 -3.007 4.836 1.00 11.16 H new ATOM 2182 N TRP A 143 -10.349 -5.334 7.141 1.00 13.99 N ATOM 2183 CA TRP A 143 -11.232 -6.293 7.791 1.00 14.75 C ATOM 2184 C TRP A 143 -12.632 -6.289 7.180 1.00 15.22 C ATOM 2185 O TRP A 143 -13.128 -7.330 6.752 1.00 15.27 O ATOM 2186 CB TRP A 143 -11.326 -5.999 9.289 1.00 15.86 C ATOM 2187 CG TRP A 143 -12.139 -7.009 10.034 1.00 16.76 C ATOM 2188 CD1 TRP A 143 -11.701 -8.169 10.609 1.00 16.94 C ATOM 2189 CD2 TRP A 143 -13.541 -6.948 10.274 1.00 17.71 C ATOM 2190 NE1 TRP A 143 -12.756 -8.830 11.193 1.00 17.96 N ATOM 2191 CE2 TRP A 143 -13.899 -8.096 10.999 1.00 18.43 C ATOM 2192 CE3 TRP A 143 -14.525 -6.023 9.942 1.00 18.11 C ATOM 2193 CZ2 TRP A 143 -15.210 -8.345 11.395 1.00 19.50 C ATOM 2194 CZ3 TRP A 143 -15.827 -6.265 10.333 1.00 19.15 C ATOM 2195 CH2 TRP A 143 -16.161 -7.419 11.055 1.00 19.83 C ATOM 0 H TRP A 143 -10.065 -4.553 7.732 1.00 13.99 H new ATOM 0 HA TRP A 143 -10.801 -7.282 7.637 1.00 14.75 H new ATOM 0 HB2 TRP A 143 -10.321 -5.967 9.711 1.00 15.86 H new ATOM 0 HB3 TRP A 143 -11.764 -5.011 9.433 1.00 15.86 H new ATOM 0 HD1 TRP A 143 -10.678 -8.515 10.605 1.00 16.94 H new ATOM 0 HE1 TRP A 143 -12.698 -9.720 11.689 1.00 17.96 H new ATOM 0 HE3 TRP A 143 -14.275 -5.130 9.388 1.00 18.11 H new ATOM 0 HZ2 TRP A 143 -15.468 -9.235 11.950 1.00 19.50 H new ATOM 0 HZ3 TRP A 143 -16.600 -5.554 10.079 1.00 19.15 H new ATOM 0 HH2 TRP A 143 -17.187 -7.581 11.349 1.00 19.83 H new ATOM 2206 N MET A 144 -13.266 -5.119 7.138 1.00 15.69 N ATOM 2207 CA MET A 144 -14.628 -5.010 6.610 1.00 16.33 C ATOM 2208 C MET A 144 -14.702 -5.246 5.102 1.00 15.63 C ATOM 2209 O MET A 144 -15.694 -5.778 4.605 1.00 16.10 O ATOM 2210 CB MET A 144 -15.228 -3.645 6.953 1.00 17.12 C ATOM 2211 CG MET A 144 -14.611 -2.482 6.193 1.00 16.59 C ATOM 2212 SD MET A 144 -15.099 -0.887 6.877 1.00 17.69 S ATOM 2213 CE MET A 144 -14.231 0.236 5.787 1.00 17.05 C ATOM 0 H MET A 144 -12.864 -4.239 7.460 1.00 15.69 H new ATOM 0 HA MET A 144 -15.209 -5.798 7.088 1.00 16.33 H new ATOM 0 HB2 MET A 144 -16.298 -3.670 6.749 1.00 17.12 H new ATOM 0 HB3 MET A 144 -15.111 -3.468 8.022 1.00 17.12 H new ATOM 0 HG2 MET A 144 -13.525 -2.569 6.218 1.00 16.59 H new ATOM 0 HG3 MET A 144 -14.911 -2.534 5.146 1.00 16.59 H new ATOM 0 HE1 MET A 144 -14.597 1.251 5.944 1.00 17.05 H new ATOM 0 HE2 MET A 144 -13.163 0.198 6.001 1.00 17.05 H new ATOM 0 HE3 MET A 144 -14.404 -0.056 4.751 1.00 17.05 H new ATOM 2223 N ILE A 145 -13.664 -4.855 4.372 1.00 14.62 N ATOM 2224 CA ILE A 145 -13.659 -5.029 2.924 1.00 14.03 C ATOM 2225 C ILE A 145 -13.569 -6.502 2.536 1.00 13.62 C ATOM 2226 O ILE A 145 -14.171 -6.928 1.550 1.00 13.74 O ATOM 2227 CB ILE A 145 -12.510 -4.255 2.251 1.00 13.14 C ATOM 2228 CG1 ILE A 145 -12.618 -4.390 0.734 1.00 12.79 C ATOM 2229 CG2 ILE A 145 -11.163 -4.768 2.735 1.00 12.26 C ATOM 2230 CD1 ILE A 145 -11.851 -3.333 -0.032 1.00 12.37 C ATOM 0 H ILE A 145 -12.824 -4.420 4.753 1.00 14.62 H new ATOM 0 HA ILE A 145 -14.606 -4.623 2.568 1.00 14.03 H new ATOM 0 HB ILE A 145 -12.588 -3.202 2.521 1.00 13.14 H new ATOM 0 HG12 ILE A 145 -12.253 -5.374 0.440 1.00 12.79 H new ATOM 0 HG13 ILE A 145 -13.669 -4.341 0.449 1.00 12.79 H new ATOM 0 HG21 ILE A 145 -10.364 -4.209 2.248 1.00 12.26 H new ATOM 0 HG22 ILE A 145 -11.091 -4.638 3.815 1.00 12.26 H new ATOM 0 HG23 ILE A 145 -11.067 -5.826 2.490 1.00 12.26 H new ATOM 0 HD11 ILE A 145 -11.977 -3.496 -1.102 1.00 12.37 H new ATOM 0 HD12 ILE A 145 -12.230 -2.346 0.232 1.00 12.37 H new ATOM 0 HD13 ILE A 145 -10.793 -3.395 0.223 1.00 12.37 H new ATOM 2242 N SER A 146 -12.818 -7.276 3.313 1.00 13.30 N ATOM 2243 CA SER A 146 -12.666 -8.700 3.040 1.00 13.04 C ATOM 2244 C SER A 146 -14.003 -9.412 3.197 1.00 14.17 C ATOM 2245 O SER A 146 -14.173 -10.551 2.760 1.00 14.26 O ATOM 2246 CB SER A 146 -11.627 -9.319 3.978 1.00 12.74 C ATOM 2247 OG SER A 146 -12.048 -9.238 5.327 1.00 12.48 O ATOM 0 H SER A 146 -12.308 -6.944 4.132 1.00 13.30 H new ATOM 0 HA SER A 146 -12.321 -8.819 2.013 1.00 13.04 H new ATOM 0 HB2 SER A 146 -11.463 -10.362 3.707 1.00 12.74 H new ATOM 0 HB3 SER A 146 -10.673 -8.805 3.860 1.00 12.74 H new ATOM 0 HG SER A 146 -12.214 -8.301 5.562 1.00 12.48 H new ATOM 2253 N GLN A 147 -14.948 -8.722 3.826 1.00 15.13 N ATOM 2254 CA GLN A 147 -16.279 -9.266 4.055 1.00 16.31 C ATOM 2255 C GLN A 147 -17.146 -9.118 2.810 1.00 16.62 C ATOM 2256 O GLN A 147 -18.051 -9.917 2.570 1.00 17.39 O ATOM 2257 CB GLN A 147 -16.935 -8.547 5.233 1.00 17.27 C ATOM 2258 CG GLN A 147 -16.005 -8.361 6.419 1.00 17.07 C ATOM 2259 CD GLN A 147 -15.618 -9.676 7.069 1.00 17.24 C ATOM 2260 OE1 GLN A 147 -16.378 -10.645 7.036 1.00 17.61 O ATOM 2261 NE2 GLN A 147 -14.434 -9.716 7.671 1.00 17.09 N ATOM 0 H GLN A 147 -14.814 -7.778 4.188 1.00 15.13 H new ATOM 0 HA GLN A 147 -16.184 -10.327 4.284 1.00 16.31 H new ATOM 0 HB2 GLN A 147 -17.289 -7.571 4.902 1.00 17.27 H new ATOM 0 HB3 GLN A 147 -17.811 -9.112 5.552 1.00 17.27 H new ATOM 0 HG2 GLN A 147 -15.104 -7.843 6.091 1.00 17.07 H new ATOM 0 HG3 GLN A 147 -16.489 -7.723 7.159 1.00 17.07 H new ATOM 0 HE21 GLN A 147 -13.836 -8.890 7.675 1.00 17.09 H new ATOM 0 HE22 GLN A 147 -14.124 -10.573 8.129 1.00 17.09 H new ATOM 2270 N LYS A 148 -16.860 -8.085 2.023 1.00 16.13 N ATOM 2271 CA LYS A 148 -17.610 -7.820 0.800 1.00 16.53 C ATOM 2272 C LYS A 148 -17.305 -8.868 -0.264 1.00 16.32 C ATOM 2273 O LYS A 148 -18.053 -9.867 -0.340 1.00 16.11 O ATOM 2274 CB LYS A 148 -17.279 -6.425 0.272 1.00 16.16 C ATOM 2275 CG LYS A 148 -17.452 -5.328 1.309 1.00 16.47 C ATOM 2276 CD LYS A 148 -17.102 -3.962 0.742 1.00 16.26 C ATOM 2277 CE LYS A 148 -17.229 -2.871 1.793 1.00 16.41 C ATOM 2278 NZ LYS A 148 -16.334 -3.112 2.958 1.00 16.72 N ATOM 2279 OXT LYS A 148 -16.322 -8.685 -1.013 1.00 16.50 O ATOM 0 H LYS A 148 -16.113 -7.417 2.211 1.00 16.13 H new ATOM 0 HA LYS A 148 -18.673 -7.870 1.035 1.00 16.53 H new ATOM 0 HB2 LYS A 148 -16.250 -6.416 -0.087 1.00 16.16 H new ATOM 0 HB3 LYS A 148 -17.917 -6.208 -0.585 1.00 16.16 H new ATOM 0 HG2 LYS A 148 -18.482 -5.322 1.665 1.00 16.47 H new ATOM 0 HG3 LYS A 148 -16.819 -5.538 2.171 1.00 16.47 H new ATOM 0 HD2 LYS A 148 -16.083 -3.978 0.355 1.00 16.26 H new ATOM 0 HD3 LYS A 148 -17.759 -3.737 -0.098 1.00 16.26 H new ATOM 0 HE2 LYS A 148 -16.989 -1.907 1.345 1.00 16.41 H new ATOM 0 HE3 LYS A 148 -18.262 -2.816 2.135 1.00 16.41 H new ATOM 0 HZ1 LYS A 148 -16.593 -2.469 3.733 1.00 16.72 H new ATOM 0 HZ2 LYS A 148 -16.436 -4.097 3.276 1.00 16.72 H new ATOM 0 HZ3 LYS A 148 -15.347 -2.939 2.679 1.00 16.72 H new