USER MOD reduce.3.24.130724 H: found=0, std=0, add=1277, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1277 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 THR OG1 : rot 105:sc= 0.595 USER MOD Set 1.2: A 129 GLN : amide:sc= -0.142 K(o=0.45,f=-0.32) USER MOD Set 2.1: A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0217) USER MOD Set 2.2: A 125 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 99 GLN : amide:sc= 0.564 K(o=0.39,f=-3.5) USER MOD Set 3.2: A 139 GLN : amide:sc= -0.108 X(o=0.39,f=-0.026) USER MOD Set 3.3: A 150 HIS : no HE2:sc= -0.068 K(o=0.39,f=-1.8!) USER MOD Set 4.1: A 97 SER OG : rot 170:sc= 0 USER MOD Set 4.2: A 152 HIS : no HD1:sc= -0.653 X(o=-0.65,f=-0.59) USER MOD Set 5.1: A 37 THR OG1 : rot -75:sc= 1.15 USER MOD Set 5.2: A 38 HIS :FLIP no HD1:sc= 0 F(o=0.012,f=1.2) USER MOD Set 6.1: A 36 SER OG : rot -108:sc= 1.05 USER MOD Set 6.2: A 42 LYS NZ :NH3+ -108:sc= 1.12 (180deg=0) USER MOD Set 7.1: A 10 SER OG : rot -151:sc= 0.88 USER MOD Set 7.2: A 141 SER OG : rot -88:sc= 1.69 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0.424 (180deg=-0.147!) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= -0.0161 (180deg=-0.223) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0837 F(o=-1.1,f=-0.084) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -2:sc= 1.1 USER MOD Single : A 45 ASN : amide:sc= -0.0737 X(o=-0.074,f=-0.15) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0.0297 (180deg=-0.000806) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.363 F(o=-1.4,f=-0.36) USER MOD Single : A 58 HIS :FLIP no HD1:sc= -0.696 F(o=-2!,f=-0.7) USER MOD Single : A 67 SER OG : rot 130:sc= 0.184 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 150:sc= -0.226 USER MOD Single : A 91 HIS : no HD1:sc= -0.232 X(o=-0.23,f=0.05) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.348 F(o=-3.4!,f=-0.35) USER MOD Single : A 104 THR OG1 : rot 26:sc= 0.196 USER MOD Single : A 113 GLN : amide:sc= -0.057 K(o=-0.057,f=-0.56) USER MOD Single : A 117 LYS NZ :NH3+ 168:sc= 1.22 (180deg=0.806) USER MOD Single : A 123 MET CE :methyl 154:sc= 0 (180deg=-0.547) USER MOD Single : A 126 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.058) USER MOD Single : A 128 MET CE :methyl -145:sc= -0.412 (180deg=-1.97!) USER MOD Single : A 130 LYS NZ :NH3+ -141:sc= -2.16! (180deg=-2.74!) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.283 F(o=-3.5!,f=-0.28) USER MOD Single : A 135 GLN : amide:sc= -0.594 K(o=-0.59,f=-4.9!) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot -49:sc= 0.666 USER MOD Single : A 151 HIS : no HD1:sc= -0.663 X(o=-0.66,f=-0.73) USER MOD Single : A 153 HIS : no HE2:sc= -0.634 K(o=-0.63,f=-4.6!) USER MOD Single : A 154 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.801 31.066 -1.811 1.00 3.23 N ATOM 2 CA MET A 1 -25.610 30.184 -1.677 1.00 54.45 C ATOM 3 C MET A 1 -25.426 29.713 -0.227 1.00 23.04 C ATOM 4 O MET A 1 -26.152 30.139 0.671 1.00 63.25 O ATOM 5 CB MET A 1 -24.344 30.912 -2.163 1.00 32.12 C ATOM 6 CG MET A 1 -23.976 32.142 -1.343 1.00 61.42 C ATOM 7 SD MET A 1 -25.299 33.367 -1.303 1.00 61.15 S ATOM 8 CE MET A 1 -24.550 34.642 -0.292 1.00 64.12 C ATOM 0 H1 MET A 1 -27.163 31.015 -2.785 1.00 3.23 H new ATOM 0 H2 MET A 1 -27.540 30.754 -1.150 1.00 3.23 H new ATOM 0 H3 MET A 1 -26.533 32.047 -1.592 1.00 3.23 H new ATOM 0 HA MET A 1 -25.774 29.305 -2.300 1.00 54.45 H new ATOM 0 HB2 MET A 1 -23.507 30.214 -2.145 1.00 32.12 H new ATOM 0 HB3 MET A 1 -24.487 31.211 -3.201 1.00 32.12 H new ATOM 0 HG2 MET A 1 -23.737 31.837 -0.324 1.00 61.42 H new ATOM 0 HG3 MET A 1 -23.077 32.596 -1.759 1.00 61.42 H new ATOM 0 HE1 MET A 1 -25.248 35.471 -0.175 1.00 64.12 H new ATOM 0 HE2 MET A 1 -24.306 34.232 0.688 1.00 64.12 H new ATOM 0 HE3 MET A 1 -23.640 35.000 -0.773 1.00 64.12 H new ATOM 20 N GLY A 2 -24.443 28.844 -0.005 1.00 13.05 N ATOM 21 CA GLY A 2 -24.200 28.296 1.327 1.00 42.31 C ATOM 22 C GLY A 2 -23.606 26.893 1.280 1.00 24.24 C ATOM 23 O GLY A 2 -24.157 25.955 1.857 1.00 13.53 O ATOM 0 H GLY A 2 -23.805 28.506 -0.725 1.00 13.05 H new ATOM 0 HA2 GLY A 2 -23.523 28.956 1.870 1.00 42.31 H new ATOM 0 HA3 GLY A 2 -25.137 28.272 1.883 1.00 42.31 H new ATOM 27 N PHE A 3 -22.481 26.752 0.586 1.00 44.21 N ATOM 28 CA PHE A 3 -21.831 25.450 0.406 1.00 34.01 C ATOM 29 C PHE A 3 -20.649 25.266 1.374 1.00 41.23 C ATOM 30 O PHE A 3 -19.869 26.193 1.606 1.00 24.22 O ATOM 31 CB PHE A 3 -21.358 25.303 -1.044 1.00 71.25 C ATOM 32 CG PHE A 3 -22.477 25.374 -2.057 1.00 72.24 C ATOM 33 CD1 PHE A 3 -23.256 24.258 -2.331 1.00 53.35 C ATOM 34 CD2 PHE A 3 -22.752 26.558 -2.728 1.00 42.33 C ATOM 35 CE1 PHE A 3 -24.285 24.322 -3.254 1.00 52.13 C ATOM 36 CE2 PHE A 3 -23.779 26.625 -3.653 1.00 51.14 C ATOM 37 CZ PHE A 3 -24.547 25.507 -3.914 1.00 20.20 C ATOM 0 H PHE A 3 -21.995 27.527 0.135 1.00 44.21 H new ATOM 0 HA PHE A 3 -22.562 24.674 0.631 1.00 34.01 H new ATOM 0 HB2 PHE A 3 -20.632 26.087 -1.262 1.00 71.25 H new ATOM 0 HB3 PHE A 3 -20.840 24.350 -1.153 1.00 71.25 H new ATOM 0 HD1 PHE A 3 -23.057 23.329 -1.818 1.00 53.35 H new ATOM 0 HD2 PHE A 3 -22.158 27.437 -2.526 1.00 42.33 H new ATOM 0 HE1 PHE A 3 -24.883 23.446 -3.458 1.00 52.13 H new ATOM 0 HE2 PHE A 3 -23.980 27.551 -4.171 1.00 51.14 H new ATOM 0 HZ PHE A 3 -25.351 25.559 -4.633 1.00 20.20 H new ATOM 47 N LYS A 4 -20.520 24.057 1.927 1.00 73.13 N ATOM 48 CA LYS A 4 -19.489 23.754 2.933 1.00 40.12 C ATOM 49 C LYS A 4 -18.407 22.807 2.381 1.00 3.11 C ATOM 50 O LYS A 4 -17.662 22.192 3.151 1.00 3.10 O ATOM 51 CB LYS A 4 -20.129 23.112 4.184 1.00 42.45 C ATOM 52 CG LYS A 4 -21.165 23.983 4.902 1.00 61.53 C ATOM 53 CD LYS A 4 -22.484 24.069 4.135 1.00 50.04 C ATOM 54 CE LYS A 4 -23.513 24.923 4.867 1.00 12.14 C ATOM 55 NZ LYS A 4 -23.834 24.381 6.214 1.00 74.40 N ATOM 0 H LYS A 4 -21.119 23.265 1.695 1.00 73.13 H new ATOM 0 HA LYS A 4 -19.016 24.699 3.199 1.00 40.12 H new ATOM 0 HB2 LYS A 4 -20.604 22.176 3.890 1.00 42.45 H new ATOM 0 HB3 LYS A 4 -19.337 22.860 4.889 1.00 42.45 H new ATOM 0 HG2 LYS A 4 -21.351 23.577 5.896 1.00 61.53 H new ATOM 0 HG3 LYS A 4 -20.761 24.986 5.038 1.00 61.53 H new ATOM 0 HD2 LYS A 4 -22.302 24.489 3.146 1.00 50.04 H new ATOM 0 HD3 LYS A 4 -22.884 23.066 3.987 1.00 50.04 H new ATOM 0 HE2 LYS A 4 -23.134 25.940 4.967 1.00 12.14 H new ATOM 0 HE3 LYS A 4 -24.425 24.980 4.273 1.00 12.14 H new ATOM 0 HZ1 LYS A 4 -24.684 24.853 6.585 1.00 74.40 H new ATOM 0 HZ2 LYS A 4 -24.008 23.358 6.144 1.00 74.40 H new ATOM 0 HZ3 LYS A 4 -23.035 24.553 6.857 1.00 74.40 H new ATOM 69 N LEU A 5 -18.307 22.710 1.055 1.00 4.45 N ATOM 70 CA LEU A 5 -17.377 21.769 0.408 1.00 34.53 C ATOM 71 C LEU A 5 -15.913 21.983 0.841 1.00 23.14 C ATOM 72 O LEU A 5 -15.375 23.093 0.763 1.00 43.12 O ATOM 73 CB LEU A 5 -17.485 21.859 -1.126 1.00 61.25 C ATOM 74 CG LEU A 5 -18.717 21.177 -1.758 1.00 73.14 C ATOM 75 CD1 LEU A 5 -18.782 19.702 -1.368 1.00 71.24 C ATOM 76 CD2 LEU A 5 -20.010 21.898 -1.382 1.00 31.13 C ATOM 0 H LEU A 5 -18.857 23.270 0.403 1.00 4.45 H new ATOM 0 HA LEU A 5 -17.673 20.773 0.736 1.00 34.53 H new ATOM 0 HB2 LEU A 5 -17.492 22.912 -1.409 1.00 61.25 H new ATOM 0 HB3 LEU A 5 -16.588 21.418 -1.560 1.00 61.25 H new ATOM 0 HG LEU A 5 -18.609 21.239 -2.841 1.00 73.14 H new ATOM 0 HD11 LEU A 5 -19.659 19.243 -1.825 1.00 71.24 H new ATOM 0 HD12 LEU A 5 -17.883 19.194 -1.716 1.00 71.24 H new ATOM 0 HD13 LEU A 5 -18.851 19.615 -0.284 1.00 71.24 H new ATOM 0 HD21 LEU A 5 -20.857 21.391 -1.844 1.00 31.13 H new ATOM 0 HD22 LEU A 5 -20.129 21.890 -0.299 1.00 31.13 H new ATOM 0 HD23 LEU A 5 -19.968 22.929 -1.735 1.00 31.13 H new ATOM 88 N ARG A 6 -15.288 20.903 1.307 1.00 4.54 N ATOM 89 CA ARG A 6 -13.861 20.895 1.645 1.00 65.22 C ATOM 90 C ARG A 6 -13.015 20.891 0.359 1.00 42.21 C ATOM 91 O ARG A 6 -12.967 19.888 -0.357 1.00 31.14 O ATOM 92 CB ARG A 6 -13.550 19.657 2.505 1.00 3.40 C ATOM 93 CG ARG A 6 -12.081 19.484 2.898 1.00 32.24 C ATOM 94 CD ARG A 6 -11.611 20.510 3.929 1.00 33.13 C ATOM 95 NE ARG A 6 -10.302 20.150 4.477 1.00 41.44 N ATOM 96 CZ ARG A 6 -9.682 20.796 5.431 1.00 11.12 C ATOM 97 NH1 ARG A 6 -10.172 21.881 5.941 1.00 64.11 N ATOM 98 NH2 ARG A 6 -8.554 20.344 5.871 1.00 70.50 N ATOM 0 H ARG A 6 -15.754 20.009 1.462 1.00 4.54 H new ATOM 0 HA ARG A 6 -13.613 21.792 2.213 1.00 65.22 H new ATOM 0 HB2 ARG A 6 -14.148 19.708 3.415 1.00 3.40 H new ATOM 0 HB3 ARG A 6 -13.870 18.768 1.962 1.00 3.40 H new ATOM 0 HG2 ARG A 6 -11.934 18.481 3.299 1.00 32.24 H new ATOM 0 HG3 ARG A 6 -11.460 19.564 2.005 1.00 32.24 H new ATOM 0 HD2 ARG A 6 -11.556 21.495 3.466 1.00 33.13 H new ATOM 0 HD3 ARG A 6 -12.340 20.578 4.737 1.00 33.13 H new ATOM 0 HE ARG A 6 -9.837 19.331 4.084 1.00 41.44 H new ATOM 0 HH11 ARG A 6 -11.060 22.249 5.600 1.00 64.11 H new ATOM 0 HH12 ARG A 6 -9.670 22.367 6.684 1.00 64.11 H new ATOM 0 HH21 ARG A 6 -8.156 19.492 5.475 1.00 70.50 H new ATOM 0 HH22 ARG A 6 -8.061 20.839 6.614 1.00 70.50 H new ATOM 112 N GLY A 7 -12.370 22.019 0.066 1.00 23.44 N ATOM 113 CA GLY A 7 -11.617 22.160 -1.178 1.00 12.34 C ATOM 114 C GLY A 7 -10.358 21.302 -1.235 1.00 10.14 C ATOM 115 O GLY A 7 -10.129 20.586 -2.211 1.00 45.15 O ATOM 0 H GLY A 7 -12.354 22.842 0.668 1.00 23.44 H new ATOM 0 HA2 GLY A 7 -12.263 21.896 -2.015 1.00 12.34 H new ATOM 0 HA3 GLY A 7 -11.339 23.206 -1.307 1.00 12.34 H new ATOM 119 N GLN A 8 -9.530 21.381 -0.198 1.00 21.03 N ATOM 120 CA GLN A 8 -8.286 20.603 -0.141 1.00 44.45 C ATOM 121 C GLN A 8 -8.557 19.138 0.241 1.00 71.34 C ATOM 122 O GLN A 8 -9.241 18.857 1.229 1.00 52.40 O ATOM 123 CB GLN A 8 -7.299 21.248 0.850 1.00 55.33 C ATOM 124 CG GLN A 8 -7.868 21.458 2.253 1.00 73.42 C ATOM 125 CD GLN A 8 -6.914 22.185 3.192 1.00 63.32 C ATOM 126 OE1 GLN A 8 -5.622 21.982 3.024 1.00 30.01 O flip ATOM 127 NE2 GLN A 8 -7.343 22.918 4.076 1.00 13.02 N flip ATOM 0 H GLN A 8 -9.693 21.974 0.616 1.00 21.03 H new ATOM 0 HA GLN A 8 -7.840 20.608 -1.136 1.00 44.45 H new ATOM 0 HB2 GLN A 8 -6.410 20.621 0.921 1.00 55.33 H new ATOM 0 HB3 GLN A 8 -6.979 22.211 0.452 1.00 55.33 H new ATOM 0 HG2 GLN A 8 -8.796 22.026 2.179 1.00 73.42 H new ATOM 0 HG3 GLN A 8 -8.121 20.489 2.683 1.00 73.42 H new ATOM 0 HE21 GLN A 8 -8.348 23.056 4.181 1.00 13.02 H new ATOM 0 HE22 GLN A 8 -6.695 23.390 4.706 1.00 13.02 H new ATOM 136 N VAL A 9 -8.012 18.206 -0.549 1.00 52.10 N ATOM 137 CA VAL A 9 -8.202 16.766 -0.311 1.00 43.44 C ATOM 138 C VAL A 9 -7.761 16.358 1.108 1.00 12.42 C ATOM 139 O VAL A 9 -8.387 15.504 1.746 1.00 34.24 O ATOM 140 CB VAL A 9 -7.433 15.918 -1.362 1.00 51.40 C ATOM 141 CG1 VAL A 9 -5.931 16.209 -1.318 1.00 11.30 C ATOM 142 CG2 VAL A 9 -7.708 14.425 -1.170 1.00 20.41 C ATOM 0 H VAL A 9 -7.434 18.422 -1.361 1.00 52.10 H new ATOM 0 HA VAL A 9 -9.270 16.569 -0.408 1.00 43.44 H new ATOM 0 HB VAL A 9 -7.798 16.203 -2.349 1.00 51.40 H new ATOM 0 HG11 VAL A 9 -5.421 15.601 -2.065 1.00 11.30 H new ATOM 0 HG12 VAL A 9 -5.758 17.264 -1.530 1.00 11.30 H new ATOM 0 HG13 VAL A 9 -5.543 15.970 -0.328 1.00 11.30 H new ATOM 0 HG21 VAL A 9 -7.158 13.855 -1.918 1.00 20.41 H new ATOM 0 HG22 VAL A 9 -7.387 14.121 -0.174 1.00 20.41 H new ATOM 0 HG23 VAL A 9 -8.775 14.234 -1.281 1.00 20.41 H new ATOM 152 N SER A 10 -6.687 16.980 1.591 1.00 24.31 N ATOM 153 CA SER A 10 -6.179 16.730 2.945 1.00 45.34 C ATOM 154 C SER A 10 -5.098 17.745 3.324 1.00 5.14 C ATOM 155 O SER A 10 -4.636 18.523 2.483 1.00 20.34 O ATOM 156 CB SER A 10 -5.606 15.311 3.073 1.00 22.03 C ATOM 157 OG SER A 10 -5.310 15.007 4.428 1.00 71.24 O ATOM 0 H SER A 10 -6.147 17.666 1.063 1.00 24.31 H new ATOM 0 HA SER A 10 -7.023 16.834 3.626 1.00 45.34 H new ATOM 0 HB2 SER A 10 -6.322 14.588 2.681 1.00 22.03 H new ATOM 0 HB3 SER A 10 -4.702 15.223 2.470 1.00 22.03 H new ATOM 0 HG SER A 10 -4.569 14.367 4.465 1.00 71.24 H new ATOM 163 N GLU A 11 -4.685 17.727 4.587 1.00 64.22 N ATOM 164 CA GLU A 11 -3.659 18.646 5.079 1.00 13.53 C ATOM 165 C GLU A 11 -2.859 18.021 6.228 1.00 51.23 C ATOM 166 O GLU A 11 -3.289 17.048 6.848 1.00 1.12 O ATOM 167 CB GLU A 11 -4.289 19.967 5.553 1.00 44.14 C ATOM 168 CG GLU A 11 -5.126 19.843 6.829 1.00 1.43 C ATOM 169 CD GLU A 11 -5.650 21.182 7.332 1.00 41.11 C ATOM 170 OE1 GLU A 11 -4.892 22.175 7.299 1.00 25.54 O ATOM 171 OE2 GLU A 11 -6.813 21.243 7.787 1.00 43.52 O ATOM 0 H GLU A 11 -5.045 17.084 5.292 1.00 64.22 H new ATOM 0 HA GLU A 11 -2.981 18.850 4.250 1.00 13.53 H new ATOM 0 HB2 GLU A 11 -3.495 20.695 5.722 1.00 44.14 H new ATOM 0 HB3 GLU A 11 -4.919 20.362 4.756 1.00 44.14 H new ATOM 0 HG2 GLU A 11 -5.968 19.177 6.641 1.00 1.43 H new ATOM 0 HG3 GLU A 11 -4.522 19.380 7.609 1.00 1.43 H new ATOM 178 N LEU A 12 -1.693 18.593 6.503 1.00 51.32 N ATOM 179 CA LEU A 12 -0.843 18.149 7.609 1.00 20.51 C ATOM 180 C LEU A 12 -0.033 19.321 8.195 1.00 64.02 C ATOM 181 O LEU A 12 0.462 20.173 7.455 1.00 50.11 O ATOM 182 CB LEU A 12 0.080 16.991 7.161 1.00 75.42 C ATOM 183 CG LEU A 12 0.406 16.910 5.653 1.00 4.34 C ATOM 184 CD1 LEU A 12 1.195 18.128 5.179 1.00 52.01 C ATOM 185 CD2 LEU A 12 1.165 15.619 5.342 1.00 11.02 C ATOM 0 H LEU A 12 -1.309 19.374 5.971 1.00 51.32 H new ATOM 0 HA LEU A 12 -1.489 17.772 8.402 1.00 20.51 H new ATOM 0 HB2 LEU A 12 1.019 17.072 7.709 1.00 75.42 H new ATOM 0 HB3 LEU A 12 -0.383 16.051 7.460 1.00 75.42 H new ATOM 0 HG LEU A 12 -0.538 16.903 5.109 1.00 4.34 H new ATOM 0 HD11 LEU A 12 1.405 18.034 4.114 1.00 52.01 H new ATOM 0 HD12 LEU A 12 0.611 19.031 5.355 1.00 52.01 H new ATOM 0 HD13 LEU A 12 2.134 18.190 5.729 1.00 52.01 H new ATOM 0 HD21 LEU A 12 1.388 15.576 4.276 1.00 11.02 H new ATOM 0 HD22 LEU A 12 2.096 15.599 5.908 1.00 11.02 H new ATOM 0 HD23 LEU A 12 0.553 14.761 5.620 1.00 11.02 H new ATOM 197 N PRO A 13 0.108 19.383 9.537 1.00 25.42 N ATOM 198 CA PRO A 13 0.795 20.497 10.226 1.00 12.31 C ATOM 199 C PRO A 13 2.333 20.446 10.102 1.00 72.41 C ATOM 200 O PRO A 13 3.049 21.129 10.838 1.00 74.33 O ATOM 201 CB PRO A 13 0.368 20.329 11.703 1.00 22.42 C ATOM 202 CG PRO A 13 -0.652 19.227 11.721 1.00 74.12 C ATOM 203 CD PRO A 13 -0.398 18.392 10.498 1.00 3.31 C ATOM 0 HA PRO A 13 0.521 21.457 9.788 1.00 12.31 H new ATOM 0 HB2 PRO A 13 1.224 20.078 12.330 1.00 22.42 H new ATOM 0 HB3 PRO A 13 -0.053 21.255 12.094 1.00 22.42 H new ATOM 0 HG2 PRO A 13 -0.559 18.627 12.626 1.00 74.12 H new ATOM 0 HG3 PRO A 13 -1.663 19.634 11.710 1.00 74.12 H new ATOM 0 HD2 PRO A 13 0.330 17.603 10.689 1.00 3.31 H new ATOM 0 HD3 PRO A 13 -1.307 17.908 10.141 1.00 3.31 H new ATOM 211 N PHE A 14 2.837 19.651 9.163 1.00 3.43 N ATOM 212 CA PHE A 14 4.283 19.471 8.987 1.00 1.40 C ATOM 213 C PHE A 14 4.661 19.395 7.499 1.00 12.44 C ATOM 214 O PHE A 14 3.802 19.521 6.625 1.00 32.31 O ATOM 215 CB PHE A 14 4.751 18.208 9.732 1.00 21.13 C ATOM 216 CG PHE A 14 3.930 16.971 9.434 1.00 2.31 C ATOM 217 CD1 PHE A 14 4.196 16.190 8.317 1.00 25.24 C ATOM 218 CD2 PHE A 14 2.893 16.591 10.276 1.00 62.11 C ATOM 219 CE1 PHE A 14 3.444 15.061 8.048 1.00 54.43 C ATOM 220 CE2 PHE A 14 2.141 15.463 10.009 1.00 63.13 C ATOM 221 CZ PHE A 14 2.417 14.696 8.894 1.00 2.24 C ATOM 0 H PHE A 14 2.267 19.117 8.507 1.00 3.43 H new ATOM 0 HA PHE A 14 4.789 20.339 9.410 1.00 1.40 H new ATOM 0 HB2 PHE A 14 5.791 18.011 9.472 1.00 21.13 H new ATOM 0 HB3 PHE A 14 4.721 18.400 10.804 1.00 21.13 H new ATOM 0 HD1 PHE A 14 4.999 16.467 7.651 1.00 25.24 H new ATOM 0 HD2 PHE A 14 2.672 17.185 11.151 1.00 62.11 H new ATOM 0 HE1 PHE A 14 3.661 14.464 7.174 1.00 54.43 H new ATOM 0 HE2 PHE A 14 1.337 15.181 10.673 1.00 63.13 H new ATOM 0 HZ PHE A 14 1.831 13.813 8.685 1.00 2.24 H new ATOM 231 N GLU A 15 5.948 19.205 7.215 1.00 53.21 N ATOM 232 CA GLU A 15 6.423 19.092 5.831 1.00 72.10 C ATOM 233 C GLU A 15 7.535 18.037 5.696 1.00 54.43 C ATOM 234 O GLU A 15 7.432 17.120 4.885 1.00 24.13 O ATOM 235 CB GLU A 15 6.910 20.456 5.310 1.00 64.04 C ATOM 236 CG GLU A 15 8.080 21.037 6.093 1.00 50.43 C ATOM 237 CD GLU A 15 8.493 22.417 5.617 1.00 15.24 C ATOM 238 OE1 GLU A 15 7.942 23.412 6.129 1.00 24.41 O ATOM 239 OE2 GLU A 15 9.375 22.512 4.739 1.00 11.51 O ATOM 0 H GLU A 15 6.681 19.126 7.920 1.00 53.21 H new ATOM 0 HA GLU A 15 5.580 18.765 5.222 1.00 72.10 H new ATOM 0 HB2 GLU A 15 7.202 20.351 4.265 1.00 64.04 H new ATOM 0 HB3 GLU A 15 6.080 21.162 5.340 1.00 64.04 H new ATOM 0 HG2 GLU A 15 7.812 21.089 7.148 1.00 50.43 H new ATOM 0 HG3 GLU A 15 8.932 20.362 6.013 1.00 50.43 H new ATOM 246 N ARG A 16 8.587 18.154 6.502 1.00 72.32 N ATOM 247 CA ARG A 16 9.731 17.246 6.397 1.00 42.42 C ATOM 248 C ARG A 16 9.420 15.892 7.051 1.00 1.32 C ATOM 249 O ARG A 16 9.314 15.791 8.278 1.00 1.42 O ATOM 250 CB ARG A 16 10.977 17.870 7.043 1.00 42.22 C ATOM 251 CG ARG A 16 11.366 19.236 6.480 1.00 5.43 C ATOM 252 CD ARG A 16 11.617 19.194 4.975 1.00 0.43 C ATOM 253 NE ARG A 16 12.157 20.457 4.478 1.00 35.22 N ATOM 254 CZ ARG A 16 12.196 20.808 3.220 1.00 13.22 C ATOM 255 NH1 ARG A 16 11.698 20.048 2.300 1.00 4.21 N ATOM 256 NH2 ARG A 16 12.729 21.935 2.887 1.00 25.05 N ATOM 0 H ARG A 16 8.673 18.862 7.231 1.00 72.32 H new ATOM 0 HA ARG A 16 9.930 17.079 5.338 1.00 42.42 H new ATOM 0 HB2 ARG A 16 10.804 17.969 8.115 1.00 42.22 H new ATOM 0 HB3 ARG A 16 11.817 17.187 6.917 1.00 42.22 H new ATOM 0 HG2 ARG A 16 10.574 19.953 6.694 1.00 5.43 H new ATOM 0 HG3 ARG A 16 12.263 19.592 6.986 1.00 5.43 H new ATOM 0 HD2 ARG A 16 12.312 18.386 4.745 1.00 0.43 H new ATOM 0 HD3 ARG A 16 10.684 18.969 4.457 1.00 0.43 H new ATOM 0 HE ARG A 16 12.531 21.113 5.163 1.00 35.22 H new ATOM 0 HH11 ARG A 16 11.266 19.159 2.552 1.00 4.21 H new ATOM 0 HH12 ARG A 16 11.737 20.338 1.323 1.00 4.21 H new ATOM 0 HH21 ARG A 16 13.117 22.547 3.604 1.00 25.05 H new ATOM 0 HH22 ARG A 16 12.762 22.214 1.906 1.00 25.05 H new ATOM 270 N VAL A 17 9.256 14.860 6.227 1.00 60.32 N ATOM 271 CA VAL A 17 8.982 13.503 6.718 1.00 12.43 C ATOM 272 C VAL A 17 10.073 12.513 6.286 1.00 51.50 C ATOM 273 O VAL A 17 10.429 12.432 5.111 1.00 15.32 O ATOM 274 CB VAL A 17 7.600 12.987 6.235 1.00 44.11 C ATOM 275 CG1 VAL A 17 6.473 13.796 6.867 1.00 61.34 C ATOM 276 CG2 VAL A 17 7.497 13.020 4.708 1.00 64.41 C ATOM 0 H VAL A 17 9.308 14.934 5.211 1.00 60.32 H new ATOM 0 HA VAL A 17 8.974 13.566 7.806 1.00 12.43 H new ATOM 0 HB VAL A 17 7.502 11.949 6.554 1.00 44.11 H new ATOM 0 HG11 VAL A 17 5.513 13.418 6.516 1.00 61.34 H new ATOM 0 HG12 VAL A 17 6.524 13.705 7.952 1.00 61.34 H new ATOM 0 HG13 VAL A 17 6.576 14.844 6.586 1.00 61.34 H new ATOM 0 HG21 VAL A 17 6.518 12.653 4.401 1.00 64.41 H new ATOM 0 HG22 VAL A 17 7.627 14.044 4.357 1.00 64.41 H new ATOM 0 HG23 VAL A 17 8.273 12.387 4.277 1.00 64.41 H new ATOM 286 N TYR A 18 10.609 11.765 7.247 1.00 22.15 N ATOM 287 CA TYR A 18 11.640 10.759 6.963 1.00 50.33 C ATOM 288 C TYR A 18 11.025 9.358 6.818 1.00 3.20 C ATOM 289 O TYR A 18 10.522 8.788 7.783 1.00 35.53 O ATOM 290 CB TYR A 18 12.700 10.761 8.073 1.00 50.42 C ATOM 291 CG TYR A 18 13.759 9.679 7.922 1.00 14.41 C ATOM 292 CD1 TYR A 18 14.618 9.668 6.831 1.00 2.43 C ATOM 293 CD2 TYR A 18 13.903 8.676 8.878 1.00 65.00 C ATOM 294 CE1 TYR A 18 15.588 8.692 6.692 1.00 14.01 C ATOM 295 CE2 TYR A 18 14.871 7.696 8.746 1.00 54.34 C ATOM 296 CZ TYR A 18 15.711 7.709 7.650 1.00 71.34 C ATOM 297 OH TYR A 18 16.684 6.742 7.518 1.00 41.24 O ATOM 0 H TYR A 18 10.349 11.833 8.231 1.00 22.15 H new ATOM 0 HA TYR A 18 12.114 11.018 6.016 1.00 50.33 H new ATOM 0 HB2 TYR A 18 13.190 11.734 8.091 1.00 50.42 H new ATOM 0 HB3 TYR A 18 12.203 10.637 9.035 1.00 50.42 H new ATOM 0 HD1 TYR A 18 14.527 10.436 6.077 1.00 2.43 H new ATOM 0 HD2 TYR A 18 13.248 8.663 9.737 1.00 65.00 H new ATOM 0 HE1 TYR A 18 16.247 8.700 5.836 1.00 14.01 H new ATOM 0 HE2 TYR A 18 14.969 6.925 9.496 1.00 54.34 H new ATOM 0 HH TYR A 18 16.637 6.125 8.278 1.00 41.24 H new ATOM 307 N ILE A 19 11.064 8.806 5.608 1.00 42.13 N ATOM 308 CA ILE A 19 10.547 7.455 5.359 1.00 40.33 C ATOM 309 C ILE A 19 11.694 6.433 5.309 1.00 3.24 C ATOM 310 O ILE A 19 12.781 6.731 4.812 1.00 2.12 O ATOM 311 CB ILE A 19 9.735 7.387 4.035 1.00 24.34 C ATOM 312 CG1 ILE A 19 9.075 6.005 3.869 1.00 13.12 C ATOM 313 CG2 ILE A 19 10.628 7.706 2.836 1.00 62.14 C ATOM 314 CD1 ILE A 19 8.241 5.869 2.611 1.00 24.03 C ATOM 0 H ILE A 19 11.447 9.269 4.783 1.00 42.13 H new ATOM 0 HA ILE A 19 9.880 7.210 6.186 1.00 40.33 H new ATOM 0 HB ILE A 19 8.946 8.137 4.082 1.00 24.34 H new ATOM 0 HG12 ILE A 19 9.852 5.241 3.862 1.00 13.12 H new ATOM 0 HG13 ILE A 19 8.443 5.809 4.735 1.00 13.12 H new ATOM 0 HG21 ILE A 19 10.040 7.653 1.920 1.00 62.14 H new ATOM 0 HG22 ILE A 19 11.039 8.709 2.945 1.00 62.14 H new ATOM 0 HG23 ILE A 19 11.443 6.983 2.787 1.00 62.14 H new ATOM 0 HD11 ILE A 19 7.810 4.869 2.566 1.00 24.03 H new ATOM 0 HD12 ILE A 19 7.440 6.609 2.623 1.00 24.03 H new ATOM 0 HD13 ILE A 19 8.872 6.032 1.737 1.00 24.03 H new ATOM 326 N THR A 20 11.450 5.235 5.828 1.00 34.04 N ATOM 327 CA THR A 20 12.471 4.175 5.838 1.00 74.41 C ATOM 328 C THR A 20 11.862 2.782 5.618 1.00 43.31 C ATOM 329 O THR A 20 11.228 2.220 6.511 1.00 35.20 O ATOM 330 CB THR A 20 13.289 4.177 7.161 1.00 1.31 C ATOM 331 OG1 THR A 20 14.004 2.937 7.314 1.00 45.31 O ATOM 332 CG2 THR A 20 12.392 4.407 8.377 1.00 40.31 C ATOM 0 H THR A 20 10.560 4.967 6.248 1.00 34.04 H new ATOM 0 HA THR A 20 13.141 4.395 5.007 1.00 74.41 H new ATOM 0 HB THR A 20 14.001 5.000 7.102 1.00 1.31 H new ATOM 0 HG1 THR A 20 14.515 2.955 8.150 1.00 45.31 H new ATOM 0 HG21 THR A 20 12.998 4.402 9.283 1.00 40.31 H new ATOM 0 HG22 THR A 20 11.890 5.370 8.282 1.00 40.31 H new ATOM 0 HG23 THR A 20 11.647 3.613 8.435 1.00 40.31 H new ATOM 340 N ALA A 21 12.036 2.239 4.413 1.00 54.25 N ATOM 341 CA ALA A 21 11.637 0.859 4.125 1.00 52.11 C ATOM 342 C ALA A 21 12.789 -0.114 4.441 1.00 45.31 C ATOM 343 O ALA A 21 13.791 -0.150 3.724 1.00 61.35 O ATOM 344 CB ALA A 21 11.199 0.719 2.669 1.00 24.43 C ATOM 0 H ALA A 21 12.450 2.732 3.621 1.00 54.25 H new ATOM 0 HA ALA A 21 10.790 0.606 4.763 1.00 52.11 H new ATOM 0 HB1 ALA A 21 10.907 -0.313 2.475 1.00 24.43 H new ATOM 0 HB2 ALA A 21 10.352 1.378 2.479 1.00 24.43 H new ATOM 0 HB3 ALA A 21 12.025 0.992 2.013 1.00 24.43 H new ATOM 350 N PRO A 22 12.651 -0.930 5.507 1.00 72.11 N ATOM 351 CA PRO A 22 13.739 -1.803 6.011 1.00 21.14 C ATOM 352 C PRO A 22 14.128 -2.951 5.056 1.00 1.00 C ATOM 353 O PRO A 22 14.932 -3.818 5.411 1.00 65.42 O ATOM 354 CB PRO A 22 13.155 -2.364 7.318 1.00 33.35 C ATOM 355 CG PRO A 22 11.679 -2.317 7.115 1.00 2.13 C ATOM 356 CD PRO A 22 11.424 -1.072 6.312 1.00 22.41 C ATOM 0 HA PRO A 22 14.667 -1.243 6.128 1.00 21.14 H new ATOM 0 HB2 PRO A 22 13.499 -3.382 7.502 1.00 33.35 H new ATOM 0 HB3 PRO A 22 13.457 -1.765 8.177 1.00 33.35 H new ATOM 0 HG2 PRO A 22 11.327 -3.203 6.587 1.00 2.13 H new ATOM 0 HG3 PRO A 22 11.152 -2.284 8.069 1.00 2.13 H new ATOM 0 HD2 PRO A 22 10.540 -1.173 5.683 1.00 22.41 H new ATOM 0 HD3 PRO A 22 11.261 -0.206 6.953 1.00 22.41 H new ATOM 364 N ALA A 23 13.561 -2.957 3.852 1.00 32.23 N ATOM 365 CA ALA A 23 13.886 -3.976 2.846 1.00 11.24 C ATOM 366 C ALA A 23 13.722 -3.435 1.416 1.00 21.25 C ATOM 367 O ALA A 23 13.601 -4.205 0.461 1.00 70.43 O ATOM 368 CB ALA A 23 13.011 -5.211 3.057 1.00 5.55 C ATOM 0 H ALA A 23 12.873 -2.269 3.545 1.00 32.23 H new ATOM 0 HA ALA A 23 14.933 -4.252 2.970 1.00 11.24 H new ATOM 0 HB1 ALA A 23 13.257 -5.963 2.308 1.00 5.55 H new ATOM 0 HB2 ALA A 23 13.190 -5.618 4.052 1.00 5.55 H new ATOM 0 HB3 ALA A 23 11.961 -4.934 2.962 1.00 5.55 H new ATOM 374 N GLY A 24 13.753 -2.107 1.269 1.00 71.14 N ATOM 375 CA GLY A 24 13.507 -1.488 -0.033 1.00 3.30 C ATOM 376 C GLY A 24 12.196 -1.952 -0.660 1.00 15.14 C ATOM 377 O GLY A 24 12.190 -2.643 -1.682 1.00 50.43 O ATOM 0 H GLY A 24 13.943 -1.449 2.025 1.00 71.14 H new ATOM 0 HA2 GLY A 24 13.488 -0.404 0.081 1.00 3.30 H new ATOM 0 HA3 GLY A 24 14.332 -1.724 -0.706 1.00 3.30 H new ATOM 381 N LEU A 25 11.086 -1.566 -0.040 1.00 13.42 N ATOM 382 CA LEU A 25 9.755 -2.054 -0.425 1.00 44.42 C ATOM 383 C LEU A 25 9.049 -1.104 -1.406 1.00 10.05 C ATOM 384 O LEU A 25 9.115 0.120 -1.256 1.00 1.31 O ATOM 385 CB LEU A 25 8.898 -2.226 0.837 1.00 64.44 C ATOM 386 CG LEU A 25 9.498 -3.148 1.915 1.00 0.54 C ATOM 387 CD1 LEU A 25 8.687 -3.081 3.205 1.00 23.24 C ATOM 388 CD2 LEU A 25 9.582 -4.585 1.411 1.00 52.02 C ATOM 0 H LEU A 25 11.077 -0.909 0.741 1.00 13.42 H new ATOM 0 HA LEU A 25 9.882 -3.010 -0.934 1.00 44.42 H new ATOM 0 HB2 LEU A 25 8.725 -1.244 1.277 1.00 64.44 H new ATOM 0 HB3 LEU A 25 7.925 -2.620 0.545 1.00 64.44 H new ATOM 0 HG LEU A 25 10.508 -2.799 2.130 1.00 0.54 H new ATOM 0 HD11 LEU A 25 9.132 -3.741 3.949 1.00 23.24 H new ATOM 0 HD12 LEU A 25 8.686 -2.058 3.582 1.00 23.24 H new ATOM 0 HD13 LEU A 25 7.662 -3.396 3.007 1.00 23.24 H new ATOM 0 HD21 LEU A 25 10.009 -5.219 2.188 1.00 52.02 H new ATOM 0 HD22 LEU A 25 8.583 -4.941 1.160 1.00 52.02 H new ATOM 0 HD23 LEU A 25 10.214 -4.623 0.524 1.00 52.02 H new ATOM 400 N THR A 26 8.361 -1.681 -2.395 1.00 51.33 N ATOM 401 CA THR A 26 7.565 -0.904 -3.362 1.00 0.25 C ATOM 402 C THR A 26 6.605 0.054 -2.647 1.00 23.34 C ATOM 403 O THR A 26 6.623 1.259 -2.890 1.00 13.15 O ATOM 404 CB THR A 26 6.729 -1.824 -4.288 1.00 35.32 C ATOM 405 OG1 THR A 26 5.838 -2.631 -3.501 1.00 74.03 O ATOM 406 CG2 THR A 26 7.626 -2.724 -5.133 1.00 40.34 C ATOM 0 H THR A 26 8.337 -2.689 -2.551 1.00 51.33 H new ATOM 0 HA THR A 26 8.279 -0.338 -3.961 1.00 0.25 H new ATOM 0 HB THR A 26 6.152 -1.189 -4.961 1.00 35.32 H new ATOM 0 HG1 THR A 26 4.926 -2.280 -3.576 1.00 74.03 H new ATOM 0 HG21 THR A 26 7.009 -3.357 -5.771 1.00 40.34 H new ATOM 0 HG22 THR A 26 8.278 -2.109 -5.753 1.00 40.34 H new ATOM 0 HG23 THR A 26 8.233 -3.350 -4.479 1.00 40.34 H new ATOM 414 N ILE A 27 5.785 -0.498 -1.748 1.00 64.41 N ATOM 415 CA ILE A 27 4.844 0.288 -0.930 1.00 33.44 C ATOM 416 C ILE A 27 5.494 1.572 -0.371 1.00 32.21 C ATOM 417 O ILE A 27 4.846 2.614 -0.271 1.00 74.22 O ATOM 418 CB ILE A 27 4.287 -0.572 0.242 1.00 0.31 C ATOM 419 CG1 ILE A 27 3.280 0.224 1.100 1.00 41.12 C ATOM 420 CG2 ILE A 27 5.426 -1.117 1.103 1.00 21.02 C ATOM 421 CD1 ILE A 27 1.995 0.580 0.379 1.00 50.40 C ATOM 0 H ILE A 27 5.751 -1.501 -1.564 1.00 64.41 H new ATOM 0 HA ILE A 27 4.024 0.585 -1.584 1.00 33.44 H new ATOM 0 HB ILE A 27 3.752 -1.416 -0.193 1.00 0.31 H new ATOM 0 HG12 ILE A 27 3.036 -0.359 1.988 1.00 41.12 H new ATOM 0 HG13 ILE A 27 3.758 1.142 1.443 1.00 41.12 H new ATOM 0 HG21 ILE A 27 5.014 -1.715 1.916 1.00 21.02 H new ATOM 0 HG22 ILE A 27 6.080 -1.738 0.491 1.00 21.02 H new ATOM 0 HG23 ILE A 27 5.998 -0.287 1.517 1.00 21.02 H new ATOM 0 HD11 ILE A 27 1.343 1.138 1.051 1.00 50.40 H new ATOM 0 HD12 ILE A 27 2.225 1.191 -0.494 1.00 50.40 H new ATOM 0 HD13 ILE A 27 1.492 -0.333 0.060 1.00 50.40 H new ATOM 433 N GLY A 28 6.780 1.491 -0.027 1.00 72.33 N ATOM 434 CA GLY A 28 7.500 2.652 0.482 1.00 5.23 C ATOM 435 C GLY A 28 7.935 3.610 -0.626 1.00 74.52 C ATOM 436 O GLY A 28 7.748 4.821 -0.520 1.00 33.05 O ATOM 0 H GLY A 28 7.338 0.640 -0.092 1.00 72.33 H new ATOM 0 HA2 GLY A 28 6.866 3.186 1.190 1.00 5.23 H new ATOM 0 HA3 GLY A 28 8.379 2.316 1.032 1.00 5.23 H new ATOM 440 N SER A 29 8.505 3.061 -1.698 1.00 75.32 N ATOM 441 CA SER A 29 9.011 3.878 -2.813 1.00 54.54 C ATOM 442 C SER A 29 7.873 4.636 -3.517 1.00 11.30 C ATOM 443 O SER A 29 8.030 5.795 -3.905 1.00 24.12 O ATOM 444 CB SER A 29 9.758 2.996 -3.825 1.00 4.00 C ATOM 445 OG SER A 29 10.522 3.774 -4.740 1.00 72.23 O ATOM 0 H SER A 29 8.630 2.056 -1.823 1.00 75.32 H new ATOM 0 HA SER A 29 9.701 4.613 -2.398 1.00 54.54 H new ATOM 0 HB2 SER A 29 10.417 2.310 -3.293 1.00 4.00 H new ATOM 0 HB3 SER A 29 9.041 2.387 -4.376 1.00 4.00 H new ATOM 0 HG SER A 29 10.985 3.180 -5.368 1.00 72.23 H new ATOM 451 N ASP A 30 6.733 3.968 -3.687 1.00 33.44 N ATOM 452 CA ASP A 30 5.529 4.605 -4.234 1.00 22.22 C ATOM 453 C ASP A 30 4.970 5.659 -3.258 1.00 30.10 C ATOM 454 O ASP A 30 4.534 6.738 -3.674 1.00 32.21 O ATOM 455 CB ASP A 30 4.463 3.547 -4.556 1.00 43.04 C ATOM 456 CG ASP A 30 4.872 2.653 -5.718 1.00 31.44 C ATOM 457 OD1 ASP A 30 5.729 1.765 -5.528 1.00 20.20 O ATOM 458 OD2 ASP A 30 4.354 2.845 -6.838 1.00 34.21 O ATOM 0 H ASP A 30 6.615 2.982 -3.454 1.00 33.44 H new ATOM 0 HA ASP A 30 5.803 5.114 -5.158 1.00 22.22 H new ATOM 0 HB2 ASP A 30 4.285 2.933 -3.673 1.00 43.04 H new ATOM 0 HB3 ASP A 30 3.522 4.043 -4.795 1.00 43.04 H new ATOM 463 N LEU A 31 5.003 5.347 -1.959 1.00 62.24 N ATOM 464 CA LEU A 31 4.556 6.285 -0.919 1.00 54.20 C ATOM 465 C LEU A 31 5.332 7.607 -0.989 1.00 5.04 C ATOM 466 O LEU A 31 4.745 8.686 -0.881 1.00 34.23 O ATOM 467 CB LEU A 31 4.709 5.650 0.473 1.00 75.44 C ATOM 468 CG LEU A 31 4.239 6.515 1.657 1.00 50.53 C ATOM 469 CD1 LEU A 31 2.763 6.875 1.523 1.00 52.31 C ATOM 470 CD2 LEU A 31 4.501 5.800 2.981 1.00 23.52 C ATOM 0 H LEU A 31 5.335 4.452 -1.600 1.00 62.24 H new ATOM 0 HA LEU A 31 3.503 6.504 -1.095 1.00 54.20 H new ATOM 0 HB2 LEU A 31 4.152 4.713 0.488 1.00 75.44 H new ATOM 0 HB3 LEU A 31 5.759 5.399 0.624 1.00 75.44 H new ATOM 0 HG LEU A 31 4.812 7.442 1.645 1.00 50.53 H new ATOM 0 HD11 LEU A 31 2.459 7.486 2.373 1.00 52.31 H new ATOM 0 HD12 LEU A 31 2.607 7.434 0.600 1.00 52.31 H new ATOM 0 HD13 LEU A 31 2.167 5.963 1.500 1.00 52.31 H new ATOM 0 HD21 LEU A 31 4.162 6.427 3.806 1.00 23.52 H new ATOM 0 HD22 LEU A 31 3.959 4.854 2.997 1.00 23.52 H new ATOM 0 HD23 LEU A 31 5.569 5.608 3.086 1.00 23.52 H new ATOM 482 N GLU A 32 6.650 7.511 -1.187 1.00 72.33 N ATOM 483 CA GLU A 32 7.506 8.694 -1.366 1.00 71.41 C ATOM 484 C GLU A 32 6.915 9.666 -2.402 1.00 4.33 C ATOM 485 O GLU A 32 6.923 10.884 -2.212 1.00 13.31 O ATOM 486 CB GLU A 32 8.910 8.265 -1.822 1.00 42.12 C ATOM 487 CG GLU A 32 9.673 7.411 -0.811 1.00 21.14 C ATOM 488 CD GLU A 32 11.017 6.926 -1.344 1.00 73.23 C ATOM 489 OE1 GLU A 32 11.701 7.708 -2.046 1.00 13.22 O ATOM 490 OE2 GLU A 32 11.396 5.765 -1.076 1.00 52.11 O ATOM 0 H GLU A 32 7.152 6.624 -1.228 1.00 72.33 H new ATOM 0 HA GLU A 32 7.566 9.205 -0.405 1.00 71.41 H new ATOM 0 HB2 GLU A 32 8.820 7.708 -2.755 1.00 42.12 H new ATOM 0 HB3 GLU A 32 9.496 9.158 -2.039 1.00 42.12 H new ATOM 0 HG2 GLU A 32 9.835 7.990 0.098 1.00 21.14 H new ATOM 0 HG3 GLU A 32 9.064 6.550 -0.536 1.00 21.14 H new ATOM 497 N ARG A 33 6.401 9.107 -3.496 1.00 31.03 N ATOM 498 CA ARG A 33 5.813 9.901 -4.582 1.00 22.34 C ATOM 499 C ARG A 33 4.444 10.460 -4.176 1.00 73.41 C ATOM 500 O ARG A 33 4.178 11.654 -4.312 1.00 43.42 O ATOM 501 CB ARG A 33 5.650 9.026 -5.832 1.00 30.41 C ATOM 502 CG ARG A 33 6.881 8.192 -6.153 1.00 33.34 C ATOM 503 CD ARG A 33 6.625 7.203 -7.282 1.00 75.22 C ATOM 504 NE ARG A 33 7.693 6.211 -7.369 1.00 21.04 N ATOM 505 CZ ARG A 33 7.497 4.931 -7.521 1.00 63.24 C ATOM 506 NH1 ARG A 33 6.308 4.463 -7.716 1.00 1.21 N ATOM 507 NH2 ARG A 33 8.502 4.124 -7.502 1.00 5.54 N ATOM 0 H ARG A 33 6.378 8.100 -3.658 1.00 31.03 H new ATOM 0 HA ARG A 33 6.482 10.735 -4.794 1.00 22.34 H new ATOM 0 HB2 ARG A 33 4.797 8.362 -5.692 1.00 30.41 H new ATOM 0 HB3 ARG A 33 5.421 9.664 -6.685 1.00 30.41 H new ATOM 0 HG2 ARG A 33 7.703 8.852 -6.429 1.00 33.34 H new ATOM 0 HG3 ARG A 33 7.194 7.650 -5.261 1.00 33.34 H new ATOM 0 HD2 ARG A 33 5.671 6.701 -7.119 1.00 75.22 H new ATOM 0 HD3 ARG A 33 6.546 7.739 -8.228 1.00 75.22 H new ATOM 0 HE ARG A 33 8.656 6.541 -7.307 1.00 21.04 H new ATOM 0 HH11 ARG A 33 5.510 5.097 -7.752 1.00 1.21 H new ATOM 0 HH12 ARG A 33 6.168 3.460 -7.834 1.00 1.21 H new ATOM 0 HH21 ARG A 33 9.446 4.488 -7.368 1.00 5.54 H new ATOM 0 HH22 ARG A 33 8.354 3.122 -7.620 1.00 5.54 H new ATOM 521 N VAL A 34 3.583 9.578 -3.674 1.00 44.44 N ATOM 522 CA VAL A 34 2.217 9.943 -3.286 1.00 52.05 C ATOM 523 C VAL A 34 2.194 11.099 -2.269 1.00 31.04 C ATOM 524 O VAL A 34 1.435 12.056 -2.428 1.00 44.11 O ATOM 525 CB VAL A 34 1.461 8.717 -2.713 1.00 20.33 C ATOM 526 CG1 VAL A 34 0.060 9.095 -2.238 1.00 73.15 C ATOM 527 CG2 VAL A 34 1.395 7.602 -3.758 1.00 44.53 C ATOM 0 H VAL A 34 3.808 8.594 -3.524 1.00 44.44 H new ATOM 0 HA VAL A 34 1.711 10.284 -4.189 1.00 52.05 H new ATOM 0 HB VAL A 34 2.014 8.355 -1.846 1.00 20.33 H new ATOM 0 HG11 VAL A 34 -0.441 8.211 -1.843 1.00 73.15 H new ATOM 0 HG12 VAL A 34 0.133 9.851 -1.456 1.00 73.15 H new ATOM 0 HG13 VAL A 34 -0.513 9.493 -3.076 1.00 73.15 H new ATOM 0 HG21 VAL A 34 0.862 6.746 -3.344 1.00 44.53 H new ATOM 0 HG22 VAL A 34 0.870 7.963 -4.643 1.00 44.53 H new ATOM 0 HG23 VAL A 34 2.406 7.301 -4.033 1.00 44.53 H new ATOM 537 N ILE A 35 3.030 11.012 -1.239 1.00 4.23 N ATOM 538 CA ILE A 35 3.146 12.089 -0.245 1.00 61.11 C ATOM 539 C ILE A 35 3.651 13.392 -0.889 1.00 53.42 C ATOM 540 O ILE A 35 2.985 14.427 -0.833 1.00 52.33 O ATOM 541 CB ILE A 35 4.105 11.692 0.911 1.00 2.22 C ATOM 542 CG1 ILE A 35 3.586 10.442 1.640 1.00 34.40 C ATOM 543 CG2 ILE A 35 4.295 12.851 1.894 1.00 31.14 C ATOM 544 CD1 ILE A 35 2.231 10.623 2.300 1.00 15.31 C ATOM 0 H ILE A 35 3.638 10.212 -1.066 1.00 4.23 H new ATOM 0 HA ILE A 35 2.147 12.252 0.159 1.00 61.11 H new ATOM 0 HB ILE A 35 5.077 11.459 0.476 1.00 2.22 H new ATOM 0 HG12 ILE A 35 3.523 9.620 0.927 1.00 34.40 H new ATOM 0 HG13 ILE A 35 4.311 10.151 2.400 1.00 34.40 H new ATOM 0 HG21 ILE A 35 4.971 12.544 2.692 1.00 31.14 H new ATOM 0 HG22 ILE A 35 4.718 13.707 1.369 1.00 31.14 H new ATOM 0 HG23 ILE A 35 3.331 13.128 2.321 1.00 31.14 H new ATOM 0 HD11 ILE A 35 1.939 9.695 2.791 1.00 15.31 H new ATOM 0 HD12 ILE A 35 2.290 11.422 3.039 1.00 15.31 H new ATOM 0 HD13 ILE A 35 1.490 10.882 1.544 1.00 15.31 H new ATOM 556 N SER A 36 4.820 13.317 -1.528 1.00 22.03 N ATOM 557 CA SER A 36 5.490 14.501 -2.096 1.00 23.23 C ATOM 558 C SER A 36 4.631 15.233 -3.146 1.00 23.23 C ATOM 559 O SER A 36 4.781 16.440 -3.345 1.00 74.53 O ATOM 560 CB SER A 36 6.832 14.098 -2.729 1.00 25.32 C ATOM 561 OG SER A 36 7.560 15.229 -3.191 1.00 52.43 O ATOM 0 H SER A 36 5.330 12.445 -1.669 1.00 22.03 H new ATOM 0 HA SER A 36 5.652 15.192 -1.268 1.00 23.23 H new ATOM 0 HB2 SER A 36 7.430 13.555 -1.997 1.00 25.32 H new ATOM 0 HB3 SER A 36 6.651 13.418 -3.561 1.00 25.32 H new ATOM 0 HG SER A 36 7.548 15.248 -4.171 1.00 52.43 H new ATOM 567 N THR A 37 3.748 14.501 -3.824 1.00 73.33 N ATOM 568 CA THR A 37 2.901 15.085 -4.881 1.00 55.02 C ATOM 569 C THR A 37 1.522 15.527 -4.358 1.00 12.32 C ATOM 570 O THR A 37 1.090 16.654 -4.609 1.00 14.20 O ATOM 571 CB THR A 37 2.692 14.097 -6.058 1.00 23.14 C ATOM 572 OG1 THR A 37 2.065 12.889 -5.590 1.00 73.43 O ATOM 573 CG2 THR A 37 4.019 13.755 -6.736 1.00 70.22 C ATOM 0 H THR A 37 3.595 13.505 -3.666 1.00 73.33 H new ATOM 0 HA THR A 37 3.439 15.965 -5.232 1.00 55.02 H new ATOM 0 HB THR A 37 2.045 14.583 -6.789 1.00 23.14 H new ATOM 0 HG1 THR A 37 2.722 12.345 -5.108 1.00 73.43 H new ATOM 0 HG21 THR A 37 3.840 13.061 -7.557 1.00 70.22 H new ATOM 0 HG22 THR A 37 4.475 14.666 -7.124 1.00 70.22 H new ATOM 0 HG23 THR A 37 4.690 13.294 -6.011 1.00 70.22 H new ATOM 581 N HIS A 38 0.836 14.647 -3.625 1.00 40.30 N ATOM 582 CA HIS A 38 -0.551 14.912 -3.201 1.00 41.52 C ATOM 583 C HIS A 38 -0.645 15.868 -1.994 1.00 61.31 C ATOM 584 O HIS A 38 -1.565 16.685 -1.918 1.00 42.54 O ATOM 585 CB HIS A 38 -1.275 13.595 -2.889 1.00 25.15 C ATOM 586 CG HIS A 38 -1.462 12.712 -4.089 1.00 51.12 C ATOM 587 ND1 HIS A 38 -0.653 11.777 -4.644 1.00 71.11 N flip ATOM 588 CD2 HIS A 38 -2.601 12.726 -4.864 1.00 41.21 C flip ATOM 589 CE1 HIS A 38 -1.315 11.253 -5.725 1.00 64.15 C flip ATOM 590 NE2 HIS A 38 -2.487 11.842 -5.834 1.00 14.53 N flip ATOM 0 H HIS A 38 1.209 13.751 -3.312 1.00 40.30 H new ATOM 0 HA HIS A 38 -1.040 15.413 -4.037 1.00 41.52 H new ATOM 0 HB2 HIS A 38 -0.710 13.050 -2.132 1.00 25.15 H new ATOM 0 HB3 HIS A 38 -2.251 13.820 -2.458 1.00 25.15 H new ATOM 0 HD2 HIS A 38 -3.457 13.364 -4.701 1.00 41.21 H new ATOM 0 HE1 HIS A 38 -0.936 10.482 -6.380 1.00 64.15 H new ATOM 0 HE2 HIS A 38 -3.188 11.647 -6.549 1.00 14.53 H new ATOM 599 N THR A 39 0.286 15.768 -1.048 1.00 32.43 N ATOM 600 CA THR A 39 0.272 16.652 0.135 1.00 61.53 C ATOM 601 C THR A 39 1.333 17.753 0.046 1.00 73.34 C ATOM 602 O THR A 39 2.191 17.746 -0.838 1.00 34.24 O ATOM 603 CB THR A 39 0.497 15.881 1.461 1.00 34.11 C ATOM 604 OG1 THR A 39 1.717 15.129 1.412 1.00 75.00 O ATOM 605 CG2 THR A 39 -0.668 14.953 1.771 1.00 61.41 C ATOM 0 H THR A 39 1.053 15.096 -1.068 1.00 32.43 H new ATOM 0 HA THR A 39 -0.724 17.095 0.139 1.00 61.53 H new ATOM 0 HB THR A 39 0.567 16.621 2.258 1.00 34.11 H new ATOM 0 HG1 THR A 39 2.133 15.238 0.532 1.00 75.00 H new ATOM 0 HG21 THR A 39 -0.476 14.429 2.707 1.00 61.41 H new ATOM 0 HG22 THR A 39 -1.584 15.537 1.863 1.00 61.41 H new ATOM 0 HG23 THR A 39 -0.780 14.228 0.965 1.00 61.41 H new ATOM 613 N ARG A 40 1.261 18.700 0.976 1.00 52.12 N ATOM 614 CA ARG A 40 2.242 19.788 1.070 1.00 23.22 C ATOM 615 C ARG A 40 3.606 19.280 1.580 1.00 2.24 C ATOM 616 O ARG A 40 4.643 19.913 1.358 1.00 44.14 O ATOM 617 CB ARG A 40 1.701 20.878 2.011 1.00 74.13 C ATOM 618 CG ARG A 40 2.579 22.125 2.116 1.00 32.11 C ATOM 619 CD ARG A 40 2.655 22.886 0.795 1.00 43.33 C ATOM 620 NE ARG A 40 3.342 24.165 0.947 1.00 61.34 N ATOM 621 CZ ARG A 40 3.168 25.197 0.167 1.00 1.42 C ATOM 622 NH1 ARG A 40 2.387 25.129 -0.864 1.00 4.52 N ATOM 623 NH2 ARG A 40 3.786 26.303 0.424 1.00 71.43 N ATOM 0 H ARG A 40 0.528 18.740 1.684 1.00 52.12 H new ATOM 0 HA ARG A 40 2.396 20.199 0.072 1.00 23.22 H new ATOM 0 HB2 ARG A 40 0.710 21.176 1.668 1.00 74.13 H new ATOM 0 HB3 ARG A 40 1.579 20.451 3.007 1.00 74.13 H new ATOM 0 HG2 ARG A 40 2.183 22.782 2.890 1.00 32.11 H new ATOM 0 HG3 ARG A 40 3.583 21.836 2.426 1.00 32.11 H new ATOM 0 HD2 ARG A 40 3.176 22.279 0.055 1.00 43.33 H new ATOM 0 HD3 ARG A 40 1.648 23.057 0.415 1.00 43.33 H new ATOM 0 HE ARG A 40 4.005 24.259 1.717 1.00 61.34 H new ATOM 0 HH11 ARG A 40 1.897 24.260 -1.076 1.00 4.52 H new ATOM 0 HH12 ARG A 40 2.262 25.945 -1.464 1.00 4.52 H new ATOM 0 HH21 ARG A 40 4.405 26.365 1.232 1.00 71.43 H new ATOM 0 HH22 ARG A 40 3.655 27.113 -0.181 1.00 71.43 H new ATOM 637 N ALA A 41 3.595 18.128 2.252 1.00 63.44 N ATOM 638 CA ALA A 41 4.802 17.568 2.876 1.00 24.21 C ATOM 639 C ALA A 41 5.826 17.057 1.845 1.00 32.44 C ATOM 640 O ALA A 41 5.466 16.627 0.746 1.00 13.32 O ATOM 641 CB ALA A 41 4.419 16.443 3.831 1.00 22.21 C ATOM 0 H ALA A 41 2.759 17.558 2.380 1.00 63.44 H new ATOM 0 HA ALA A 41 5.282 18.378 3.426 1.00 24.21 H new ATOM 0 HB1 ALA A 41 5.319 16.033 4.290 1.00 22.21 H new ATOM 0 HB2 ALA A 41 3.761 16.833 4.608 1.00 22.21 H new ATOM 0 HB3 ALA A 41 3.903 15.657 3.279 1.00 22.21 H new ATOM 647 N LYS A 42 7.107 17.110 2.214 1.00 2.21 N ATOM 648 CA LYS A 42 8.192 16.613 1.360 1.00 11.01 C ATOM 649 C LYS A 42 9.089 15.621 2.122 1.00 34.41 C ATOM 650 O LYS A 42 9.494 15.869 3.259 1.00 45.03 O ATOM 651 CB LYS A 42 9.037 17.784 0.825 1.00 52.32 C ATOM 652 CG LYS A 42 10.160 17.355 -0.123 1.00 31.43 C ATOM 653 CD LYS A 42 9.624 16.534 -1.294 1.00 30.03 C ATOM 654 CE LYS A 42 10.717 16.152 -2.286 1.00 64.23 C ATOM 655 NZ LYS A 42 10.176 15.341 -3.409 1.00 12.34 N ATOM 0 H LYS A 42 7.422 17.495 3.105 1.00 2.21 H new ATOM 0 HA LYS A 42 7.740 16.089 0.518 1.00 11.01 H new ATOM 0 HB2 LYS A 42 8.383 18.484 0.305 1.00 52.32 H new ATOM 0 HB3 LYS A 42 9.472 18.321 1.668 1.00 52.32 H new ATOM 0 HG2 LYS A 42 10.674 18.238 -0.502 1.00 31.43 H new ATOM 0 HG3 LYS A 42 10.897 16.769 0.426 1.00 31.43 H new ATOM 0 HD2 LYS A 42 9.151 15.629 -0.913 1.00 30.03 H new ATOM 0 HD3 LYS A 42 8.852 17.104 -1.810 1.00 30.03 H new ATOM 0 HE2 LYS A 42 11.184 17.055 -2.680 1.00 64.23 H new ATOM 0 HE3 LYS A 42 11.496 15.589 -1.772 1.00 64.23 H new ATOM 0 HZ1 LYS A 42 10.493 14.355 -3.309 1.00 12.34 H new ATOM 0 HZ2 LYS A 42 9.137 15.374 -3.392 1.00 12.34 H new ATOM 0 HZ3 LYS A 42 10.520 15.726 -4.312 1.00 12.34 H new ATOM 669 N VAL A 43 9.402 14.499 1.479 1.00 12.05 N ATOM 670 CA VAL A 43 10.229 13.453 2.092 1.00 15.15 C ATOM 671 C VAL A 43 11.714 13.859 2.174 1.00 72.54 C ATOM 672 O VAL A 43 12.265 14.435 1.233 1.00 54.44 O ATOM 673 CB VAL A 43 10.110 12.126 1.298 1.00 2.35 C ATOM 674 CG1 VAL A 43 10.979 11.035 1.920 1.00 3.13 C ATOM 675 CG2 VAL A 43 8.651 11.675 1.216 1.00 3.11 C ATOM 0 H VAL A 43 9.096 14.287 0.529 1.00 12.05 H new ATOM 0 HA VAL A 43 9.855 13.314 3.106 1.00 15.15 H new ATOM 0 HB VAL A 43 10.471 12.306 0.285 1.00 2.35 H new ATOM 0 HG11 VAL A 43 10.877 10.116 1.344 1.00 3.13 H new ATOM 0 HG12 VAL A 43 12.022 11.353 1.914 1.00 3.13 H new ATOM 0 HG13 VAL A 43 10.660 10.857 2.947 1.00 3.13 H new ATOM 0 HG21 VAL A 43 8.589 10.742 0.655 1.00 3.11 H new ATOM 0 HG22 VAL A 43 8.261 11.520 2.222 1.00 3.11 H new ATOM 0 HG23 VAL A 43 8.061 12.441 0.712 1.00 3.11 H new ATOM 685 N VAL A 44 12.349 13.559 3.309 1.00 3.14 N ATOM 686 CA VAL A 44 13.794 13.768 3.482 1.00 24.15 C ATOM 687 C VAL A 44 14.543 12.428 3.540 1.00 10.41 C ATOM 688 O VAL A 44 14.045 11.445 4.093 1.00 34.44 O ATOM 689 CB VAL A 44 14.120 14.589 4.759 1.00 3.34 C ATOM 690 CG1 VAL A 44 13.618 16.024 4.628 1.00 51.32 C ATOM 691 CG2 VAL A 44 13.536 13.919 6.002 1.00 11.24 C ATOM 0 H VAL A 44 11.884 13.168 4.129 1.00 3.14 H new ATOM 0 HA VAL A 44 14.128 14.336 2.614 1.00 24.15 H new ATOM 0 HB VAL A 44 15.204 14.621 4.871 1.00 3.34 H new ATOM 0 HG11 VAL A 44 13.859 16.578 5.535 1.00 51.32 H new ATOM 0 HG12 VAL A 44 14.098 16.501 3.774 1.00 51.32 H new ATOM 0 HG13 VAL A 44 12.538 16.020 4.481 1.00 51.32 H new ATOM 0 HG21 VAL A 44 13.778 14.513 6.883 1.00 11.24 H new ATOM 0 HG22 VAL A 44 12.453 13.845 5.901 1.00 11.24 H new ATOM 0 HG23 VAL A 44 13.960 12.921 6.110 1.00 11.24 H new ATOM 701 N ASN A 45 15.743 12.397 2.967 1.00 11.32 N ATOM 702 CA ASN A 45 16.539 11.164 2.891 1.00 42.01 C ATOM 703 C ASN A 45 17.222 10.817 4.232 1.00 5.12 C ATOM 704 O ASN A 45 17.728 9.708 4.415 1.00 22.24 O ATOM 705 CB ASN A 45 17.583 11.300 1.775 1.00 33.31 C ATOM 706 CG ASN A 45 18.325 10.003 1.506 1.00 14.22 C ATOM 707 OD1 ASN A 45 19.378 9.745 2.076 1.00 1.42 O ATOM 708 ND2 ASN A 45 17.781 9.174 0.637 1.00 73.32 N ATOM 0 H ASN A 45 16.191 13.211 2.546 1.00 11.32 H new ATOM 0 HA ASN A 45 15.860 10.342 2.666 1.00 42.01 H new ATOM 0 HB2 ASN A 45 17.090 11.628 0.860 1.00 33.31 H new ATOM 0 HB3 ASN A 45 18.300 12.075 2.046 1.00 33.31 H new ATOM 0 HD21 ASN A 45 18.238 8.288 0.422 1.00 73.32 H new ATOM 0 HD22 ASN A 45 16.903 9.419 0.179 1.00 73.32 H new ATOM 715 N LYS A 46 17.223 11.760 5.174 1.00 52.41 N ATOM 716 CA LYS A 46 17.861 11.544 6.481 1.00 31.23 C ATOM 717 C LYS A 46 17.104 12.279 7.605 1.00 73.15 C ATOM 718 O LYS A 46 16.575 13.373 7.403 1.00 64.42 O ATOM 719 CB LYS A 46 19.340 11.976 6.450 1.00 64.21 C ATOM 720 CG LYS A 46 19.570 13.475 6.283 1.00 74.34 C ATOM 721 CD LYS A 46 19.143 13.997 4.912 1.00 13.32 C ATOM 722 CE LYS A 46 19.507 15.467 4.732 1.00 14.44 C ATOM 723 NZ LYS A 46 20.966 15.704 4.910 1.00 45.42 N ATOM 0 H LYS A 46 16.793 12.678 5.062 1.00 52.41 H new ATOM 0 HA LYS A 46 17.820 10.476 6.694 1.00 31.23 H new ATOM 0 HB2 LYS A 46 19.817 11.651 7.374 1.00 64.21 H new ATOM 0 HB3 LYS A 46 19.838 11.454 5.633 1.00 64.21 H new ATOM 0 HG2 LYS A 46 19.019 14.010 7.057 1.00 74.34 H new ATOM 0 HG3 LYS A 46 20.627 13.694 6.436 1.00 74.34 H new ATOM 0 HD2 LYS A 46 19.621 13.405 4.132 1.00 13.32 H new ATOM 0 HD3 LYS A 46 18.067 13.871 4.793 1.00 13.32 H new ATOM 0 HE2 LYS A 46 19.204 15.797 3.738 1.00 14.44 H new ATOM 0 HE3 LYS A 46 18.951 16.069 5.451 1.00 14.44 H new ATOM 0 HZ1 LYS A 46 21.177 16.709 4.746 1.00 45.42 H new ATOM 0 HZ2 LYS A 46 21.244 15.445 5.878 1.00 45.42 H new ATOM 0 HZ3 LYS A 46 21.497 15.124 4.230 1.00 45.42 H new ATOM 737 N ALA A 47 17.087 11.681 8.799 1.00 72.44 N ATOM 738 CA ALA A 47 16.272 12.174 9.922 1.00 42.52 C ATOM 739 C ALA A 47 16.928 13.337 10.696 1.00 14.24 C ATOM 740 O ALA A 47 16.514 13.655 11.812 1.00 21.15 O ATOM 741 CB ALA A 47 15.965 11.020 10.876 1.00 73.41 C ATOM 0 H ALA A 47 17.632 10.847 9.018 1.00 72.44 H new ATOM 0 HA ALA A 47 15.352 12.572 9.493 1.00 42.52 H new ATOM 0 HB1 ALA A 47 15.362 11.386 11.707 1.00 73.41 H new ATOM 0 HB2 ALA A 47 15.416 10.244 10.343 1.00 73.41 H new ATOM 0 HB3 ALA A 47 16.898 10.607 11.259 1.00 73.41 H new ATOM 747 N GLU A 48 17.942 13.978 10.111 1.00 75.10 N ATOM 748 CA GLU A 48 18.585 15.136 10.752 1.00 60.24 C ATOM 749 C GLU A 48 17.676 16.375 10.695 1.00 52.03 C ATOM 750 O GLU A 48 17.911 17.367 11.389 1.00 62.21 O ATOM 751 CB GLU A 48 19.927 15.458 10.078 1.00 74.25 C ATOM 752 CG GLU A 48 19.789 16.085 8.694 1.00 12.33 C ATOM 753 CD GLU A 48 21.128 16.361 8.031 1.00 72.11 C ATOM 754 OE1 GLU A 48 21.795 15.397 7.603 1.00 1.03 O ATOM 755 OE2 GLU A 48 21.510 17.540 7.913 1.00 41.31 O ATOM 0 H GLU A 48 18.335 13.722 9.205 1.00 75.10 H new ATOM 0 HA GLU A 48 18.762 14.875 11.795 1.00 60.24 H new ATOM 0 HB2 GLU A 48 20.491 16.136 10.719 1.00 74.25 H new ATOM 0 HB3 GLU A 48 20.510 14.541 9.994 1.00 74.25 H new ATOM 0 HG2 GLU A 48 19.204 15.421 8.057 1.00 12.33 H new ATOM 0 HG3 GLU A 48 19.232 17.018 8.778 1.00 12.33 H new ATOM 762 N LYS A 49 16.648 16.310 9.851 1.00 75.33 N ATOM 763 CA LYS A 49 15.722 17.428 9.654 1.00 21.40 C ATOM 764 C LYS A 49 14.338 16.913 9.226 1.00 65.04 C ATOM 765 O LYS A 49 14.087 16.687 8.041 1.00 4.52 O ATOM 766 CB LYS A 49 16.291 18.393 8.601 1.00 50.24 C ATOM 767 CG LYS A 49 15.457 19.652 8.375 1.00 23.52 C ATOM 768 CD LYS A 49 16.089 20.552 7.315 1.00 64.31 C ATOM 769 CE LYS A 49 15.265 21.809 7.063 1.00 5.15 C ATOM 770 NZ LYS A 49 15.886 22.675 6.029 1.00 74.45 N ATOM 0 H LYS A 49 16.433 15.488 9.287 1.00 75.33 H new ATOM 0 HA LYS A 49 15.606 17.963 10.597 1.00 21.40 H new ATOM 0 HB2 LYS A 49 17.296 18.688 8.903 1.00 50.24 H new ATOM 0 HB3 LYS A 49 16.386 17.861 7.654 1.00 50.24 H new ATOM 0 HG2 LYS A 49 14.450 19.373 8.065 1.00 23.52 H new ATOM 0 HG3 LYS A 49 15.362 20.201 9.312 1.00 23.52 H new ATOM 0 HD2 LYS A 49 17.093 20.835 7.632 1.00 64.31 H new ATOM 0 HD3 LYS A 49 16.194 19.995 6.384 1.00 64.31 H new ATOM 0 HE2 LYS A 49 14.260 21.528 6.747 1.00 5.15 H new ATOM 0 HE3 LYS A 49 15.162 22.369 7.993 1.00 5.15 H new ATOM 0 HZ1 LYS A 49 15.297 23.520 5.885 1.00 74.45 H new ATOM 0 HZ2 LYS A 49 16.835 22.963 6.342 1.00 74.45 H new ATOM 0 HZ3 LYS A 49 15.961 22.149 5.135 1.00 74.45 H new ATOM 784 N SER A 50 13.449 16.712 10.198 1.00 13.30 N ATOM 785 CA SER A 50 12.122 16.140 9.922 1.00 1.42 C ATOM 786 C SER A 50 11.176 16.281 11.123 1.00 74.33 C ATOM 787 O SER A 50 11.563 16.015 12.262 1.00 71.13 O ATOM 788 CB SER A 50 12.244 14.653 9.543 1.00 64.20 C ATOM 789 OG SER A 50 12.821 13.890 10.595 1.00 40.32 O ATOM 0 H SER A 50 13.617 16.934 11.179 1.00 13.30 H new ATOM 0 HA SER A 50 11.701 16.700 9.087 1.00 1.42 H new ATOM 0 HB2 SER A 50 11.258 14.256 9.304 1.00 64.20 H new ATOM 0 HB3 SER A 50 12.854 14.555 8.645 1.00 64.20 H new ATOM 0 HG SER A 50 12.882 12.951 10.322 1.00 40.32 H new ATOM 795 N GLU A 51 9.934 16.691 10.862 1.00 12.24 N ATOM 796 CA GLU A 51 8.916 16.793 11.916 1.00 3.24 C ATOM 797 C GLU A 51 8.349 15.409 12.280 1.00 23.12 C ATOM 798 O GLU A 51 8.002 15.153 13.437 1.00 14.32 O ATOM 799 CB GLU A 51 7.760 17.718 11.491 1.00 11.31 C ATOM 800 CG GLU A 51 8.138 19.190 11.317 1.00 3.41 C ATOM 801 CD GLU A 51 8.855 19.478 10.008 1.00 51.54 C ATOM 802 OE1 GLU A 51 8.170 19.650 8.979 1.00 42.30 O ATOM 803 OE2 GLU A 51 10.100 19.545 10.003 1.00 74.40 O ATOM 0 H GLU A 51 9.606 16.958 9.934 1.00 12.24 H new ATOM 0 HA GLU A 51 9.408 17.218 12.791 1.00 3.24 H new ATOM 0 HB2 GLU A 51 7.348 17.351 10.551 1.00 11.31 H new ATOM 0 HB3 GLU A 51 6.967 17.648 12.235 1.00 11.31 H new ATOM 0 HG2 GLU A 51 7.235 19.798 11.370 1.00 3.41 H new ATOM 0 HG3 GLU A 51 8.776 19.494 12.147 1.00 3.41 H new ATOM 810 N ALA A 52 8.252 14.524 11.284 1.00 52.45 N ATOM 811 CA ALA A 52 7.680 13.182 11.483 1.00 13.12 C ATOM 812 C ALA A 52 8.461 12.106 10.710 1.00 63.34 C ATOM 813 O ALA A 52 9.214 12.410 9.783 1.00 45.22 O ATOM 814 CB ALA A 52 6.212 13.174 11.067 1.00 14.22 C ATOM 0 H ALA A 52 8.561 14.709 10.330 1.00 52.45 H new ATOM 0 HA ALA A 52 7.757 12.941 12.543 1.00 13.12 H new ATOM 0 HB1 ALA A 52 5.797 12.178 11.217 1.00 14.22 H new ATOM 0 HB2 ALA A 52 5.659 13.893 11.671 1.00 14.22 H new ATOM 0 HB3 ALA A 52 6.131 13.446 10.015 1.00 14.22 H new ATOM 820 N ILE A 53 8.268 10.845 11.093 1.00 10.13 N ATOM 821 CA ILE A 53 8.975 9.719 10.467 1.00 12.30 C ATOM 822 C ILE A 53 8.008 8.579 10.110 1.00 22.00 C ATOM 823 O ILE A 53 7.195 8.158 10.930 1.00 63.23 O ATOM 824 CB ILE A 53 10.094 9.176 11.399 1.00 52.34 C ATOM 825 CG1 ILE A 53 11.167 10.256 11.632 1.00 33.53 C ATOM 826 CG2 ILE A 53 10.718 7.902 10.824 1.00 2.31 C ATOM 827 CD1 ILE A 53 12.312 9.809 12.520 1.00 33.20 C ATOM 0 H ILE A 53 7.626 10.572 11.837 1.00 10.13 H new ATOM 0 HA ILE A 53 9.427 10.095 9.549 1.00 12.30 H new ATOM 0 HB ILE A 53 9.646 8.922 12.360 1.00 52.34 H new ATOM 0 HG12 ILE A 53 11.569 10.567 10.668 1.00 33.53 H new ATOM 0 HG13 ILE A 53 10.695 11.131 12.078 1.00 33.53 H new ATOM 0 HG21 ILE A 53 11.498 7.544 11.496 1.00 2.31 H new ATOM 0 HG22 ILE A 53 9.950 7.136 10.718 1.00 2.31 H new ATOM 0 HG23 ILE A 53 11.152 8.118 9.848 1.00 2.31 H new ATOM 0 HD11 ILE A 53 13.024 10.626 12.634 1.00 33.20 H new ATOM 0 HD12 ILE A 53 11.924 9.526 13.499 1.00 33.20 H new ATOM 0 HD13 ILE A 53 12.812 8.953 12.066 1.00 33.20 H new ATOM 839 N ILE A 54 8.104 8.081 8.879 1.00 34.31 N ATOM 840 CA ILE A 54 7.247 6.986 8.412 1.00 12.22 C ATOM 841 C ILE A 54 8.035 5.667 8.322 1.00 3.51 C ATOM 842 O ILE A 54 8.804 5.449 7.379 1.00 2.53 O ATOM 843 CB ILE A 54 6.630 7.309 7.025 1.00 31.24 C ATOM 844 CG1 ILE A 54 5.875 8.653 7.072 1.00 0.11 C ATOM 845 CG2 ILE A 54 5.704 6.179 6.570 1.00 42.41 C ATOM 846 CD1 ILE A 54 5.312 9.087 5.732 1.00 74.32 C ATOM 0 H ILE A 54 8.768 8.418 8.182 1.00 34.31 H new ATOM 0 HA ILE A 54 6.444 6.874 9.140 1.00 12.22 H new ATOM 0 HB ILE A 54 7.438 7.396 6.299 1.00 31.24 H new ATOM 0 HG12 ILE A 54 5.059 8.575 7.790 1.00 0.11 H new ATOM 0 HG13 ILE A 54 6.550 9.426 7.439 1.00 0.11 H new ATOM 0 HG21 ILE A 54 5.282 6.425 5.596 1.00 42.41 H new ATOM 0 HG22 ILE A 54 6.271 5.251 6.496 1.00 42.41 H new ATOM 0 HG23 ILE A 54 4.899 6.055 7.294 1.00 42.41 H new ATOM 0 HD11 ILE A 54 4.796 10.040 5.846 1.00 74.32 H new ATOM 0 HD12 ILE A 54 6.125 9.198 5.015 1.00 74.32 H new ATOM 0 HD13 ILE A 54 4.610 8.335 5.371 1.00 74.32 H new ATOM 858 N GLN A 55 7.845 4.790 9.306 1.00 31.20 N ATOM 859 CA GLN A 55 8.556 3.506 9.341 1.00 73.43 C ATOM 860 C GLN A 55 7.635 2.363 8.883 1.00 21.23 C ATOM 861 O GLN A 55 6.916 1.768 9.693 1.00 24.13 O ATOM 862 CB GLN A 55 9.087 3.221 10.764 1.00 44.23 C ATOM 863 CG GLN A 55 10.465 2.550 10.817 1.00 0.54 C ATOM 864 CD GLN A 55 10.550 1.211 10.089 1.00 13.44 C ATOM 865 OE1 GLN A 55 9.476 0.441 10.097 1.00 50.13 O flip ATOM 866 NE2 GLN A 55 11.589 0.856 9.546 1.00 43.24 N flip ATOM 0 H GLN A 55 7.208 4.941 10.088 1.00 31.20 H new ATOM 0 HA GLN A 55 9.402 3.567 8.656 1.00 73.43 H new ATOM 0 HB2 GLN A 55 9.136 4.161 11.313 1.00 44.23 H new ATOM 0 HB3 GLN A 55 8.370 2.586 11.283 1.00 44.23 H new ATOM 0 HG2 GLN A 55 11.202 3.229 10.388 1.00 0.54 H new ATOM 0 HG3 GLN A 55 10.741 2.399 11.861 1.00 0.54 H new ATOM 0 HE21 GLN A 55 12.404 1.469 9.554 1.00 43.24 H new ATOM 0 HE22 GLN A 55 11.639 -0.053 9.086 1.00 43.24 H new ATOM 875 N ILE A 56 7.647 2.069 7.589 1.00 2.43 N ATOM 876 CA ILE A 56 6.859 0.958 7.049 1.00 62.11 C ATOM 877 C ILE A 56 7.517 -0.384 7.437 1.00 13.23 C ATOM 878 O ILE A 56 8.724 -0.560 7.295 1.00 21.30 O ATOM 879 CB ILE A 56 6.686 1.093 5.501 1.00 21.04 C ATOM 880 CG1 ILE A 56 5.609 0.126 4.948 1.00 30.12 C ATOM 881 CG2 ILE A 56 8.018 0.891 4.779 1.00 30.13 C ATOM 882 CD1 ILE A 56 6.050 -1.320 4.810 1.00 70.32 C ATOM 0 H ILE A 56 8.190 2.580 6.893 1.00 2.43 H new ATOM 0 HA ILE A 56 5.859 0.987 7.483 1.00 62.11 H new ATOM 0 HB ILE A 56 6.340 2.108 5.307 1.00 21.04 H new ATOM 0 HG12 ILE A 56 4.739 0.163 5.604 1.00 30.12 H new ATOM 0 HG13 ILE A 56 5.287 0.486 3.971 1.00 30.12 H new ATOM 0 HG21 ILE A 56 7.868 0.990 3.704 1.00 30.13 H new ATOM 0 HG22 ILE A 56 8.732 1.642 5.117 1.00 30.13 H new ATOM 0 HG23 ILE A 56 8.405 -0.104 5.001 1.00 30.13 H new ATOM 0 HD11 ILE A 56 5.227 -1.915 4.416 1.00 70.32 H new ATOM 0 HD12 ILE A 56 6.899 -1.378 4.129 1.00 70.32 H new ATOM 0 HD13 ILE A 56 6.342 -1.706 5.787 1.00 70.32 H new ATOM 894 N VAL A 57 6.721 -1.312 7.958 1.00 51.24 N ATOM 895 CA VAL A 57 7.247 -2.585 8.472 1.00 32.45 C ATOM 896 C VAL A 57 7.336 -3.665 7.371 1.00 21.13 C ATOM 897 O VAL A 57 8.429 -4.040 6.943 1.00 61.21 O ATOM 898 CB VAL A 57 6.382 -3.106 9.651 1.00 5.53 C ATOM 899 CG1 VAL A 57 7.017 -4.335 10.300 1.00 23.42 C ATOM 900 CG2 VAL A 57 6.157 -2.001 10.687 1.00 21.10 C ATOM 0 H VAL A 57 5.709 -1.213 8.038 1.00 51.24 H new ATOM 0 HA VAL A 57 8.258 -2.386 8.829 1.00 32.45 H new ATOM 0 HB VAL A 57 5.413 -3.403 9.250 1.00 5.53 H new ATOM 0 HG11 VAL A 57 6.389 -4.678 11.122 1.00 23.42 H new ATOM 0 HG12 VAL A 57 7.111 -5.130 9.560 1.00 23.42 H new ATOM 0 HG13 VAL A 57 8.005 -4.076 10.681 1.00 23.42 H new ATOM 0 HG21 VAL A 57 5.549 -2.387 11.505 1.00 21.10 H new ATOM 0 HG22 VAL A 57 7.118 -1.666 11.077 1.00 21.10 H new ATOM 0 HG23 VAL A 57 5.644 -1.162 10.218 1.00 21.10 H new ATOM 910 N HIS A 58 6.185 -4.167 6.918 1.00 0.45 N ATOM 911 CA HIS A 58 6.141 -5.203 5.868 1.00 70.22 C ATOM 912 C HIS A 58 4.901 -5.057 4.973 1.00 1.13 C ATOM 913 O HIS A 58 3.915 -4.419 5.347 1.00 13.44 O ATOM 914 CB HIS A 58 6.153 -6.613 6.485 1.00 21.31 C ATOM 915 CG HIS A 58 7.473 -7.019 7.073 1.00 24.44 C ATOM 916 ND1 HIS A 58 7.888 -7.113 8.360 1.00 21.33 N flip ATOM 917 CD2 HIS A 58 8.552 -7.391 6.303 1.00 64.01 C flip ATOM 918 CE1 HIS A 58 9.194 -7.531 8.339 1.00 74.55 C flip ATOM 919 NE2 HIS A 58 9.568 -7.693 7.086 1.00 34.44 N flip ATOM 0 H HIS A 58 5.268 -3.877 7.258 1.00 0.45 H new ATOM 0 HA HIS A 58 7.032 -5.065 5.255 1.00 70.22 H new ATOM 0 HB2 HIS A 58 5.391 -6.663 7.263 1.00 21.31 H new ATOM 0 HB3 HIS A 58 5.873 -7.335 5.718 1.00 21.31 H new ATOM 0 HD2 HIS A 58 8.564 -7.429 5.224 1.00 64.01 H new ATOM 0 HE1 HIS A 58 9.814 -7.700 9.207 1.00 74.55 H new ATOM 0 HE2 HIS A 58 10.489 -8.001 6.774 1.00 34.44 H new ATOM 928 N ALA A 59 4.967 -5.665 3.786 1.00 73.55 N ATOM 929 CA ALA A 59 3.836 -5.701 2.852 1.00 35.42 C ATOM 930 C ALA A 59 3.530 -7.150 2.432 1.00 12.50 C ATOM 931 O ALA A 59 4.209 -7.717 1.578 1.00 74.31 O ATOM 932 CB ALA A 59 4.137 -4.836 1.630 1.00 73.11 C ATOM 0 H ALA A 59 5.801 -6.144 3.445 1.00 73.55 H new ATOM 0 HA ALA A 59 2.955 -5.300 3.352 1.00 35.42 H new ATOM 0 HB1 ALA A 59 3.291 -4.870 0.943 1.00 73.11 H new ATOM 0 HB2 ALA A 59 4.307 -3.807 1.946 1.00 73.11 H new ATOM 0 HB3 ALA A 59 5.028 -5.213 1.128 1.00 73.11 H new ATOM 938 N ILE A 60 2.515 -7.751 3.048 1.00 52.30 N ATOM 939 CA ILE A 60 2.199 -9.170 2.822 1.00 75.32 C ATOM 940 C ILE A 60 1.060 -9.348 1.803 1.00 1.43 C ATOM 941 O ILE A 60 -0.070 -8.941 2.048 1.00 35.43 O ATOM 942 CB ILE A 60 1.802 -9.865 4.152 1.00 23.03 C ATOM 943 CG1 ILE A 60 2.927 -9.724 5.197 1.00 5.03 C ATOM 944 CG2 ILE A 60 1.464 -11.339 3.919 1.00 25.42 C ATOM 945 CD1 ILE A 60 4.243 -10.360 4.787 1.00 10.22 C ATOM 0 H ILE A 60 1.894 -7.283 3.708 1.00 52.30 H new ATOM 0 HA ILE A 60 3.100 -9.633 2.420 1.00 75.32 H new ATOM 0 HB ILE A 60 0.911 -9.370 4.538 1.00 23.03 H new ATOM 0 HG12 ILE A 60 3.094 -8.665 5.393 1.00 5.03 H new ATOM 0 HG13 ILE A 60 2.596 -10.173 6.133 1.00 5.03 H new ATOM 0 HG21 ILE A 60 1.189 -11.803 4.866 1.00 25.42 H new ATOM 0 HG22 ILE A 60 0.630 -11.415 3.222 1.00 25.42 H new ATOM 0 HG23 ILE A 60 2.332 -11.850 3.503 1.00 25.42 H new ATOM 0 HD11 ILE A 60 4.979 -10.215 5.578 1.00 10.22 H new ATOM 0 HD12 ILE A 60 4.095 -11.427 4.620 1.00 10.22 H new ATOM 0 HD13 ILE A 60 4.601 -9.895 3.868 1.00 10.22 H new ATOM 957 N ARG A 61 1.361 -9.968 0.664 1.00 2.45 N ATOM 958 CA ARG A 61 0.351 -10.210 -0.377 1.00 3.44 C ATOM 959 C ARG A 61 0.314 -11.689 -0.793 1.00 32.14 C ATOM 960 O ARG A 61 1.357 -12.321 -0.984 1.00 50.41 O ATOM 961 CB ARG A 61 0.584 -9.312 -1.611 1.00 51.52 C ATOM 962 CG ARG A 61 1.962 -9.438 -2.269 1.00 2.40 C ATOM 963 CD ARG A 61 3.062 -8.762 -1.454 1.00 45.44 C ATOM 964 NE ARG A 61 4.347 -8.781 -2.153 1.00 63.42 N ATOM 965 CZ ARG A 61 5.514 -8.830 -1.566 1.00 62.14 C ATOM 966 NH1 ARG A 61 5.610 -8.848 -0.275 1.00 43.14 N ATOM 967 NH2 ARG A 61 6.589 -8.840 -2.281 1.00 4.13 N ATOM 0 H ARG A 61 2.293 -10.313 0.434 1.00 2.45 H new ATOM 0 HA ARG A 61 -0.617 -9.953 0.054 1.00 3.44 H new ATOM 0 HB2 ARG A 61 -0.177 -9.544 -2.356 1.00 51.52 H new ATOM 0 HB3 ARG A 61 0.435 -8.273 -1.316 1.00 51.52 H new ATOM 0 HG2 ARG A 61 2.205 -10.493 -2.397 1.00 2.40 H new ATOM 0 HG3 ARG A 61 1.928 -8.996 -3.265 1.00 2.40 H new ATOM 0 HD2 ARG A 61 2.777 -7.731 -1.245 1.00 45.44 H new ATOM 0 HD3 ARG A 61 3.164 -9.266 -0.493 1.00 45.44 H new ATOM 0 HE ARG A 61 4.331 -8.754 -3.173 1.00 63.42 H new ATOM 0 HH11 ARG A 61 4.767 -8.824 0.299 1.00 43.14 H new ATOM 0 HH12 ARG A 61 6.528 -8.886 0.168 1.00 43.14 H new ATOM 0 HH21 ARG A 61 6.525 -8.810 -3.299 1.00 4.13 H new ATOM 0 HH22 ARG A 61 7.502 -8.878 -1.828 1.00 4.13 H new ATOM 981 N GLU A 62 -0.896 -12.233 -0.930 1.00 52.13 N ATOM 982 CA GLU A 62 -1.087 -13.646 -1.285 1.00 74.20 C ATOM 983 C GLU A 62 -2.193 -13.813 -2.334 1.00 20.22 C ATOM 984 O GLU A 62 -3.081 -12.967 -2.461 1.00 0.23 O ATOM 985 CB GLU A 62 -1.458 -14.472 -0.041 1.00 54.21 C ATOM 986 CG GLU A 62 -0.415 -14.446 1.072 1.00 62.42 C ATOM 987 CD GLU A 62 -0.832 -15.270 2.281 1.00 1.42 C ATOM 988 OE1 GLU A 62 -1.571 -14.745 3.139 1.00 12.44 O ATOM 989 OE2 GLU A 62 -0.422 -16.447 2.380 1.00 74.31 O ATOM 0 H GLU A 62 -1.765 -11.715 -0.800 1.00 52.13 H new ATOM 0 HA GLU A 62 -0.144 -14.004 -1.699 1.00 74.20 H new ATOM 0 HB2 GLU A 62 -2.403 -14.102 0.356 1.00 54.21 H new ATOM 0 HB3 GLU A 62 -1.622 -15.506 -0.343 1.00 54.21 H new ATOM 0 HG2 GLU A 62 0.532 -14.825 0.687 1.00 62.42 H new ATOM 0 HG3 GLU A 62 -0.244 -13.415 1.381 1.00 62.42 H new ATOM 996 N LYS A 63 -2.139 -14.914 -3.076 1.00 62.30 N ATOM 997 CA LYS A 63 -3.199 -15.254 -4.030 1.00 64.41 C ATOM 998 C LYS A 63 -4.070 -16.403 -3.492 1.00 54.41 C ATOM 999 O LYS A 63 -3.571 -17.473 -3.142 1.00 61.44 O ATOM 1000 CB LYS A 63 -2.605 -15.619 -5.397 1.00 33.22 C ATOM 1001 CG LYS A 63 -1.588 -16.757 -5.367 1.00 34.42 C ATOM 1002 CD LYS A 63 -1.230 -17.229 -6.775 1.00 62.10 C ATOM 1003 CE LYS A 63 -0.683 -16.092 -7.634 1.00 4.24 C ATOM 1004 NZ LYS A 63 0.606 -15.565 -7.111 1.00 22.31 N ATOM 0 H LYS A 63 -1.375 -15.588 -3.038 1.00 62.30 H new ATOM 0 HA LYS A 63 -3.833 -14.377 -4.158 1.00 64.41 H new ATOM 0 HB2 LYS A 63 -3.418 -15.894 -6.069 1.00 33.22 H new ATOM 0 HB3 LYS A 63 -2.128 -14.734 -5.819 1.00 33.22 H new ATOM 0 HG2 LYS A 63 -0.686 -16.426 -4.853 1.00 34.42 H new ATOM 0 HG3 LYS A 63 -1.992 -17.592 -4.795 1.00 34.42 H new ATOM 0 HD2 LYS A 63 -0.489 -18.026 -6.713 1.00 62.10 H new ATOM 0 HD3 LYS A 63 -2.114 -17.652 -7.252 1.00 62.10 H new ATOM 0 HE2 LYS A 63 -0.542 -16.446 -8.655 1.00 4.24 H new ATOM 0 HE3 LYS A 63 -1.414 -15.285 -7.674 1.00 4.24 H new ATOM 0 HZ1 LYS A 63 0.975 -14.842 -7.761 1.00 22.31 H new ATOM 0 HZ2 LYS A 63 0.453 -15.142 -6.173 1.00 22.31 H new ATOM 0 HZ3 LYS A 63 1.293 -16.342 -7.033 1.00 22.31 H new ATOM 1018 N ARG A 64 -5.377 -16.170 -3.427 1.00 12.10 N ATOM 1019 CA ARG A 64 -6.318 -17.121 -2.820 1.00 4.11 C ATOM 1020 C ARG A 64 -7.570 -17.314 -3.694 1.00 61.25 C ATOM 1021 O ARG A 64 -7.726 -16.669 -4.726 1.00 13.23 O ATOM 1022 CB ARG A 64 -6.724 -16.609 -1.426 1.00 15.32 C ATOM 1023 CG ARG A 64 -5.558 -16.495 -0.446 1.00 4.21 C ATOM 1024 CD ARG A 64 -5.948 -15.742 0.822 1.00 42.50 C ATOM 1025 NE ARG A 64 -7.112 -16.329 1.488 1.00 44.32 N ATOM 1026 CZ ARG A 64 -7.063 -16.987 2.615 1.00 4.44 C ATOM 1027 NH1 ARG A 64 -5.934 -17.180 3.222 1.00 41.30 N ATOM 1028 NH2 ARG A 64 -8.151 -17.437 3.146 1.00 72.52 N ATOM 0 H ARG A 64 -5.817 -15.324 -3.789 1.00 12.10 H new ATOM 0 HA ARG A 64 -5.824 -18.089 -2.734 1.00 4.11 H new ATOM 0 HB2 ARG A 64 -7.194 -15.631 -1.531 1.00 15.32 H new ATOM 0 HB3 ARG A 64 -7.474 -17.280 -1.007 1.00 15.32 H new ATOM 0 HG2 ARG A 64 -5.208 -17.493 -0.182 1.00 4.21 H new ATOM 0 HG3 ARG A 64 -4.726 -15.983 -0.930 1.00 4.21 H new ATOM 0 HD2 ARG A 64 -5.104 -15.736 1.511 1.00 42.50 H new ATOM 0 HD3 ARG A 64 -6.162 -14.703 0.572 1.00 42.50 H new ATOM 0 HE ARG A 64 -8.022 -16.217 1.042 1.00 44.32 H new ATOM 0 HH11 ARG A 64 -5.070 -16.816 2.820 1.00 41.30 H new ATOM 0 HH12 ARG A 64 -5.910 -17.696 4.102 1.00 41.30 H new ATOM 0 HH21 ARG A 64 -9.047 -17.278 2.685 1.00 72.52 H new ATOM 0 HH22 ARG A 64 -8.114 -17.951 4.026 1.00 72.52 H new ATOM 1042 N ILE A 65 -8.449 -18.224 -3.282 1.00 42.43 N ATOM 1043 CA ILE A 65 -9.741 -18.426 -3.954 1.00 35.31 C ATOM 1044 C ILE A 65 -10.867 -17.660 -3.241 1.00 30.34 C ATOM 1045 O ILE A 65 -10.999 -17.720 -2.018 1.00 42.52 O ATOM 1046 CB ILE A 65 -10.103 -19.940 -4.045 1.00 21.34 C ATOM 1047 CG1 ILE A 65 -9.496 -20.565 -5.314 1.00 64.51 C ATOM 1048 CG2 ILE A 65 -11.618 -20.164 -4.012 1.00 34.34 C ATOM 1049 CD1 ILE A 65 -10.081 -20.012 -6.602 1.00 52.53 C ATOM 0 H ILE A 65 -8.294 -18.838 -2.483 1.00 42.43 H new ATOM 0 HA ILE A 65 -9.640 -18.033 -4.966 1.00 35.31 H new ATOM 0 HB ILE A 65 -9.677 -20.432 -3.170 1.00 21.34 H new ATOM 0 HG12 ILE A 65 -8.419 -20.397 -5.312 1.00 64.51 H new ATOM 0 HG13 ILE A 65 -9.651 -21.644 -5.288 1.00 64.51 H new ATOM 0 HG21 ILE A 65 -11.830 -21.231 -4.078 1.00 34.34 H new ATOM 0 HG22 ILE A 65 -12.024 -19.770 -3.080 1.00 34.34 H new ATOM 0 HG23 ILE A 65 -12.080 -19.650 -4.855 1.00 34.34 H new ATOM 0 HD11 ILE A 65 -9.607 -20.498 -7.455 1.00 52.53 H new ATOM 0 HD12 ILE A 65 -11.154 -20.203 -6.626 1.00 52.53 H new ATOM 0 HD13 ILE A 65 -9.903 -18.938 -6.651 1.00 52.53 H new ATOM 1061 N LEU A 66 -11.677 -16.941 -4.014 1.00 44.13 N ATOM 1062 CA LEU A 66 -12.830 -16.223 -3.467 1.00 12.45 C ATOM 1063 C LEU A 66 -14.089 -17.104 -3.500 1.00 71.32 C ATOM 1064 O LEU A 66 -14.684 -17.394 -2.460 1.00 41.03 O ATOM 1065 CB LEU A 66 -13.075 -14.928 -4.257 1.00 10.15 C ATOM 1066 CG LEU A 66 -14.210 -14.033 -3.727 1.00 53.10 C ATOM 1067 CD1 LEU A 66 -13.877 -13.510 -2.331 1.00 3.22 C ATOM 1068 CD2 LEU A 66 -14.481 -12.879 -4.691 1.00 74.43 C ATOM 0 H LEU A 66 -11.558 -16.839 -5.022 1.00 44.13 H new ATOM 0 HA LEU A 66 -12.612 -15.971 -2.429 1.00 12.45 H new ATOM 0 HB2 LEU A 66 -12.152 -14.348 -4.265 1.00 10.15 H new ATOM 0 HB3 LEU A 66 -13.296 -15.190 -5.292 1.00 10.15 H new ATOM 0 HG LEU A 66 -15.116 -14.635 -3.656 1.00 53.10 H new ATOM 0 HD11 LEU A 66 -14.692 -12.880 -1.975 1.00 3.22 H new ATOM 0 HD12 LEU A 66 -13.744 -14.350 -1.650 1.00 3.22 H new ATOM 0 HD13 LEU A 66 -12.957 -12.926 -2.371 1.00 3.22 H new ATOM 0 HD21 LEU A 66 -15.286 -12.258 -4.298 1.00 74.43 H new ATOM 0 HD22 LEU A 66 -13.579 -12.277 -4.800 1.00 74.43 H new ATOM 0 HD23 LEU A 66 -14.771 -13.278 -5.663 1.00 74.43 H new ATOM 1080 N SER A 67 -14.473 -17.547 -4.697 1.00 0.33 N ATOM 1081 CA SER A 67 -15.697 -18.346 -4.872 1.00 2.35 C ATOM 1082 C SER A 67 -15.446 -19.606 -5.711 1.00 22.13 C ATOM 1083 O SER A 67 -14.606 -19.612 -6.614 1.00 52.23 O ATOM 1084 CB SER A 67 -16.790 -17.515 -5.559 1.00 21.30 C ATOM 1085 OG SER A 67 -16.965 -16.254 -4.938 1.00 62.13 O ATOM 0 H SER A 67 -13.960 -17.370 -5.560 1.00 0.33 H new ATOM 0 HA SER A 67 -16.020 -18.645 -3.875 1.00 2.35 H new ATOM 0 HB2 SER A 67 -16.530 -17.370 -6.608 1.00 21.30 H new ATOM 0 HB3 SER A 67 -17.731 -18.064 -5.537 1.00 21.30 H new ATOM 0 HG SER A 67 -16.946 -15.549 -5.618 1.00 62.13 H new ATOM 1091 N LEU A 68 -16.198 -20.664 -5.411 1.00 20.43 N ATOM 1092 CA LEU A 68 -16.155 -21.914 -6.183 1.00 3.34 C ATOM 1093 C LEU A 68 -17.577 -22.369 -6.546 1.00 4.15 C ATOM 1094 O LEU A 68 -18.478 -22.338 -5.707 1.00 25.15 O ATOM 1095 CB LEU A 68 -15.447 -23.022 -5.383 1.00 23.44 C ATOM 1096 CG LEU A 68 -13.961 -22.774 -5.073 1.00 22.53 C ATOM 1097 CD1 LEU A 68 -13.400 -23.884 -4.189 1.00 50.51 C ATOM 1098 CD2 LEU A 68 -13.151 -22.650 -6.362 1.00 50.13 C ATOM 0 H LEU A 68 -16.853 -20.683 -4.630 1.00 20.43 H new ATOM 0 HA LEU A 68 -15.595 -21.726 -7.099 1.00 3.34 H new ATOM 0 HB2 LEU A 68 -15.978 -23.160 -4.441 1.00 23.44 H new ATOM 0 HB3 LEU A 68 -15.533 -23.957 -5.937 1.00 23.44 H new ATOM 0 HG LEU A 68 -13.882 -21.832 -4.530 1.00 22.53 H new ATOM 0 HD11 LEU A 68 -12.348 -23.688 -3.983 1.00 50.51 H new ATOM 0 HD12 LEU A 68 -13.954 -23.917 -3.251 1.00 50.51 H new ATOM 0 HD13 LEU A 68 -13.497 -24.841 -4.701 1.00 50.51 H new ATOM 0 HD21 LEU A 68 -12.103 -22.475 -6.118 1.00 50.13 H new ATOM 0 HD22 LEU A 68 -13.240 -23.571 -6.938 1.00 50.13 H new ATOM 0 HD23 LEU A 68 -13.531 -21.815 -6.951 1.00 50.13 H new ATOM 1110 N SER A 69 -17.781 -22.788 -7.791 1.00 34.54 N ATOM 1111 CA SER A 69 -19.091 -23.284 -8.235 1.00 11.53 C ATOM 1112 C SER A 69 -19.356 -24.708 -7.723 1.00 41.21 C ATOM 1113 O SER A 69 -19.456 -25.652 -8.509 1.00 74.20 O ATOM 1114 CB SER A 69 -19.199 -23.252 -9.766 1.00 51.11 C ATOM 1115 OG SER A 69 -18.992 -21.944 -10.276 1.00 65.04 O ATOM 0 H SER A 69 -17.061 -22.796 -8.514 1.00 34.54 H new ATOM 0 HA SER A 69 -19.847 -22.621 -7.813 1.00 11.53 H new ATOM 0 HB2 SER A 69 -18.465 -23.932 -10.198 1.00 51.11 H new ATOM 0 HB3 SER A 69 -20.183 -23.610 -10.070 1.00 51.11 H new ATOM 0 HG SER A 69 -19.066 -21.958 -11.253 1.00 65.04 H new ATOM 1121 N GLU A 70 -19.438 -24.843 -6.397 1.00 2.42 N ATOM 1122 CA GLU A 70 -19.755 -26.113 -5.727 1.00 3.51 C ATOM 1123 C GLU A 70 -18.737 -27.235 -6.033 1.00 34.41 C ATOM 1124 O GLU A 70 -17.908 -27.576 -5.189 1.00 3.12 O ATOM 1125 CB GLU A 70 -21.182 -26.569 -6.084 1.00 41.32 C ATOM 1126 CG GLU A 70 -21.664 -27.776 -5.283 1.00 24.32 C ATOM 1127 CD GLU A 70 -21.640 -27.530 -3.781 1.00 45.34 C ATOM 1128 OE1 GLU A 70 -22.621 -26.977 -3.244 1.00 23.42 O ATOM 1129 OE2 GLU A 70 -20.632 -27.880 -3.127 1.00 65.33 O ATOM 0 H GLU A 70 -19.285 -24.069 -5.750 1.00 2.42 H new ATOM 0 HA GLU A 70 -19.692 -25.921 -4.656 1.00 3.51 H new ATOM 0 HB2 GLU A 70 -21.870 -25.739 -5.921 1.00 41.32 H new ATOM 0 HB3 GLU A 70 -21.221 -26.811 -7.146 1.00 41.32 H new ATOM 0 HG2 GLU A 70 -22.679 -28.029 -5.590 1.00 24.32 H new ATOM 0 HG3 GLU A 70 -21.037 -28.636 -5.517 1.00 24.32 H new ATOM 1136 N SER A 71 -18.795 -27.795 -7.243 1.00 64.51 N ATOM 1137 CA SER A 71 -17.953 -28.946 -7.629 1.00 3.41 C ATOM 1138 C SER A 71 -16.498 -28.540 -7.951 1.00 74.23 C ATOM 1139 O SER A 71 -15.925 -28.982 -8.948 1.00 71.21 O ATOM 1140 CB SER A 71 -18.570 -29.660 -8.844 1.00 75.54 C ATOM 1141 OG SER A 71 -19.897 -30.094 -8.576 1.00 11.32 O ATOM 0 H SER A 71 -19.419 -27.472 -7.982 1.00 64.51 H new ATOM 0 HA SER A 71 -17.919 -29.618 -6.772 1.00 3.41 H new ATOM 0 HB2 SER A 71 -18.573 -28.986 -9.701 1.00 75.54 H new ATOM 0 HB3 SER A 71 -17.954 -30.517 -9.115 1.00 75.54 H new ATOM 0 HG SER A 71 -20.261 -30.542 -9.368 1.00 11.32 H new ATOM 1147 N GLY A 72 -15.903 -27.699 -7.106 1.00 25.01 N ATOM 1148 CA GLY A 72 -14.498 -27.313 -7.274 1.00 1.13 C ATOM 1149 C GLY A 72 -14.236 -26.331 -8.420 1.00 71.33 C ATOM 1150 O GLY A 72 -13.135 -25.791 -8.536 1.00 11.32 O ATOM 0 H GLY A 72 -16.366 -27.273 -6.303 1.00 25.01 H new ATOM 0 HA2 GLY A 72 -14.144 -26.868 -6.344 1.00 1.13 H new ATOM 0 HA3 GLY A 72 -13.906 -28.213 -7.442 1.00 1.13 H new ATOM 1154 N ARG A 73 -15.238 -26.106 -9.273 1.00 21.44 N ATOM 1155 CA ARG A 73 -15.111 -25.184 -10.407 1.00 14.44 C ATOM 1156 C ARG A 73 -14.712 -23.767 -9.948 1.00 63.30 C ATOM 1157 O ARG A 73 -15.463 -23.096 -9.241 1.00 12.43 O ATOM 1158 CB ARG A 73 -16.433 -25.149 -11.196 1.00 43.22 C ATOM 1159 CG ARG A 73 -16.479 -24.092 -12.295 1.00 63.13 C ATOM 1160 CD ARG A 73 -15.418 -24.322 -13.366 1.00 61.22 C ATOM 1161 NE ARG A 73 -15.772 -25.399 -14.290 1.00 50.22 N ATOM 1162 CZ ARG A 73 -15.302 -25.501 -15.507 1.00 3.31 C ATOM 1163 NH1 ARG A 73 -14.535 -24.574 -16.001 1.00 34.35 N ATOM 1164 NH2 ARG A 73 -15.640 -26.505 -16.246 1.00 43.14 N ATOM 0 H ARG A 73 -16.152 -26.552 -9.200 1.00 21.44 H new ATOM 0 HA ARG A 73 -14.314 -25.548 -11.055 1.00 14.44 H new ATOM 0 HB2 ARG A 73 -16.602 -26.129 -11.643 1.00 43.22 H new ATOM 0 HB3 ARG A 73 -17.253 -24.970 -10.501 1.00 43.22 H new ATOM 0 HG2 ARG A 73 -17.466 -24.096 -12.758 1.00 63.13 H new ATOM 0 HG3 ARG A 73 -16.338 -23.106 -11.853 1.00 63.13 H new ATOM 0 HD2 ARG A 73 -15.270 -23.400 -13.929 1.00 61.22 H new ATOM 0 HD3 ARG A 73 -14.468 -24.558 -12.886 1.00 61.22 H new ATOM 0 HE ARG A 73 -16.424 -26.113 -13.966 1.00 50.22 H new ATOM 0 HH11 ARG A 73 -14.295 -23.758 -15.439 1.00 34.35 H new ATOM 0 HH12 ARG A 73 -14.174 -24.663 -16.951 1.00 34.35 H new ATOM 0 HH21 ARG A 73 -16.272 -27.217 -15.881 1.00 43.14 H new ATOM 0 HH22 ARG A 73 -15.274 -26.586 -17.195 1.00 43.14 H new ATOM 1178 N VAL A 74 -13.519 -23.332 -10.356 1.00 24.32 N ATOM 1179 CA VAL A 74 -12.978 -22.021 -9.965 1.00 41.22 C ATOM 1180 C VAL A 74 -13.771 -20.853 -10.578 1.00 20.23 C ATOM 1181 O VAL A 74 -14.131 -20.882 -11.757 1.00 72.22 O ATOM 1182 CB VAL A 74 -11.487 -21.893 -10.377 1.00 74.11 C ATOM 1183 CG1 VAL A 74 -10.934 -20.508 -10.032 1.00 35.25 C ATOM 1184 CG2 VAL A 74 -10.655 -22.990 -9.717 1.00 32.32 C ATOM 0 H VAL A 74 -12.901 -23.871 -10.963 1.00 24.32 H new ATOM 0 HA VAL A 74 -13.069 -21.963 -8.880 1.00 41.22 H new ATOM 0 HB VAL A 74 -11.423 -22.015 -11.458 1.00 74.11 H new ATOM 0 HG11 VAL A 74 -9.888 -20.449 -10.332 1.00 35.25 H new ATOM 0 HG12 VAL A 74 -11.507 -19.746 -10.560 1.00 35.25 H new ATOM 0 HG13 VAL A 74 -11.013 -20.342 -8.958 1.00 35.25 H new ATOM 0 HG21 VAL A 74 -9.612 -22.886 -10.016 1.00 32.32 H new ATOM 0 HG22 VAL A 74 -10.732 -22.903 -8.633 1.00 32.32 H new ATOM 0 HG23 VAL A 74 -11.026 -23.966 -10.029 1.00 32.32 H new ATOM 1194 N ARG A 75 -14.035 -19.827 -9.767 1.00 21.41 N ATOM 1195 CA ARG A 75 -14.721 -18.614 -10.234 1.00 13.31 C ATOM 1196 C ARG A 75 -13.813 -17.376 -10.132 1.00 64.41 C ATOM 1197 O ARG A 75 -13.091 -17.037 -11.075 1.00 0.41 O ATOM 1198 CB ARG A 75 -16.002 -18.374 -9.424 1.00 62.34 C ATOM 1199 CG ARG A 75 -17.084 -19.416 -9.643 1.00 42.03 C ATOM 1200 CD ARG A 75 -18.395 -19.034 -8.954 1.00 40.41 C ATOM 1201 NE ARG A 75 -19.259 -18.225 -9.816 1.00 23.31 N ATOM 1202 CZ ARG A 75 -19.671 -17.013 -9.541 1.00 2.42 C ATOM 1203 NH1 ARG A 75 -19.177 -16.347 -8.547 1.00 33.44 N ATOM 1204 NH2 ARG A 75 -20.541 -16.445 -10.308 1.00 62.01 N ATOM 0 H ARG A 75 -13.784 -19.809 -8.779 1.00 21.41 H new ATOM 0 HA ARG A 75 -14.976 -18.770 -11.282 1.00 13.31 H new ATOM 0 HB2 ARG A 75 -15.748 -18.348 -8.364 1.00 62.34 H new ATOM 0 HB3 ARG A 75 -16.402 -17.393 -9.680 1.00 62.34 H new ATOM 0 HG2 ARG A 75 -17.258 -19.538 -10.712 1.00 42.03 H new ATOM 0 HG3 ARG A 75 -16.742 -20.379 -9.264 1.00 42.03 H new ATOM 0 HD2 ARG A 75 -18.925 -19.939 -8.659 1.00 40.41 H new ATOM 0 HD3 ARG A 75 -18.176 -18.481 -8.041 1.00 40.41 H new ATOM 0 HE ARG A 75 -19.563 -18.637 -10.698 1.00 23.31 H new ATOM 0 HH11 ARG A 75 -18.454 -16.765 -7.962 1.00 33.44 H new ATOM 0 HH12 ARG A 75 -19.511 -15.404 -8.349 1.00 33.44 H new ATOM 0 HH21 ARG A 75 -20.903 -16.940 -11.123 1.00 62.01 H new ATOM 0 HH22 ARG A 75 -20.866 -15.501 -10.099 1.00 62.01 H new ATOM 1218 N GLU A 76 -13.852 -16.709 -8.977 1.00 30.13 N ATOM 1219 CA GLU A 76 -13.060 -15.501 -8.751 1.00 23.33 C ATOM 1220 C GLU A 76 -11.837 -15.803 -7.874 1.00 45.54 C ATOM 1221 O GLU A 76 -11.938 -16.491 -6.853 1.00 62.22 O ATOM 1222 CB GLU A 76 -13.916 -14.406 -8.094 1.00 1.43 C ATOM 1223 CG GLU A 76 -15.138 -13.982 -8.911 1.00 43.15 C ATOM 1224 CD GLU A 76 -16.273 -14.993 -8.878 1.00 74.13 C ATOM 1225 OE1 GLU A 76 -16.668 -15.416 -7.768 1.00 4.15 O ATOM 1226 OE2 GLU A 76 -16.777 -15.359 -9.962 1.00 62.31 O ATOM 0 H GLU A 76 -14.426 -16.987 -8.181 1.00 30.13 H new ATOM 0 HA GLU A 76 -12.713 -15.144 -9.721 1.00 23.33 H new ATOM 0 HB2 GLU A 76 -14.251 -14.760 -7.119 1.00 1.43 H new ATOM 0 HB3 GLU A 76 -13.291 -13.531 -7.917 1.00 1.43 H new ATOM 0 HG2 GLU A 76 -15.503 -13.026 -8.534 1.00 43.15 H new ATOM 0 HG3 GLU A 76 -14.835 -13.822 -9.946 1.00 43.15 H new ATOM 1233 N PHE A 77 -10.689 -15.277 -8.279 1.00 53.21 N ATOM 1234 CA PHE A 77 -9.431 -15.489 -7.563 1.00 30.44 C ATOM 1235 C PHE A 77 -9.135 -14.286 -6.643 1.00 44.41 C ATOM 1236 O PHE A 77 -8.971 -13.157 -7.110 1.00 11.53 O ATOM 1237 CB PHE A 77 -8.298 -15.701 -8.586 1.00 44.40 C ATOM 1238 CG PHE A 77 -7.140 -16.529 -8.084 1.00 64.12 C ATOM 1239 CD1 PHE A 77 -7.358 -17.796 -7.562 1.00 73.45 C ATOM 1240 CD2 PHE A 77 -5.839 -16.053 -8.151 1.00 60.23 C ATOM 1241 CE1 PHE A 77 -6.306 -18.570 -7.118 1.00 60.44 C ATOM 1242 CE2 PHE A 77 -4.784 -16.826 -7.708 1.00 15.31 C ATOM 1243 CZ PHE A 77 -5.017 -18.084 -7.188 1.00 44.21 C ATOM 0 H PHE A 77 -10.600 -14.693 -9.110 1.00 53.21 H new ATOM 0 HA PHE A 77 -9.507 -16.377 -6.935 1.00 30.44 H new ATOM 0 HB2 PHE A 77 -8.713 -16.181 -9.472 1.00 44.40 H new ATOM 0 HB3 PHE A 77 -7.922 -14.727 -8.898 1.00 44.40 H new ATOM 0 HD1 PHE A 77 -8.365 -18.181 -7.502 1.00 73.45 H new ATOM 0 HD2 PHE A 77 -5.649 -15.069 -8.553 1.00 60.23 H new ATOM 0 HE1 PHE A 77 -6.491 -19.555 -6.716 1.00 60.44 H new ATOM 0 HE2 PHE A 77 -3.775 -16.446 -7.768 1.00 15.31 H new ATOM 0 HZ PHE A 77 -4.192 -18.686 -6.837 1.00 44.21 H new ATOM 1253 N GLU A 78 -9.081 -14.541 -5.336 1.00 54.51 N ATOM 1254 CA GLU A 78 -8.920 -13.487 -4.324 1.00 21.52 C ATOM 1255 C GLU A 78 -7.446 -13.078 -4.137 1.00 40.24 C ATOM 1256 O GLU A 78 -6.675 -13.775 -3.478 1.00 31.24 O ATOM 1257 CB GLU A 78 -9.500 -13.975 -2.984 1.00 14.52 C ATOM 1258 CG GLU A 78 -9.365 -12.976 -1.835 1.00 33.33 C ATOM 1259 CD GLU A 78 -9.895 -13.524 -0.515 1.00 22.10 C ATOM 1260 OE1 GLU A 78 -9.157 -14.266 0.171 1.00 74.10 O ATOM 1261 OE2 GLU A 78 -11.050 -13.211 -0.151 1.00 45.44 O ATOM 0 H GLU A 78 -9.147 -15.481 -4.945 1.00 54.51 H new ATOM 0 HA GLU A 78 -9.459 -12.606 -4.672 1.00 21.52 H new ATOM 0 HB2 GLU A 78 -10.555 -14.210 -3.123 1.00 14.52 H new ATOM 0 HB3 GLU A 78 -9.002 -14.903 -2.703 1.00 14.52 H new ATOM 0 HG2 GLU A 78 -8.316 -12.704 -1.716 1.00 33.33 H new ATOM 0 HG3 GLU A 78 -9.904 -12.063 -2.087 1.00 33.33 H new ATOM 1268 N LEU A 79 -7.058 -11.951 -4.727 1.00 14.43 N ATOM 1269 CA LEU A 79 -5.712 -11.396 -4.525 1.00 34.01 C ATOM 1270 C LEU A 79 -5.692 -10.471 -3.292 1.00 15.44 C ATOM 1271 O LEU A 79 -6.129 -9.322 -3.365 1.00 14.45 O ATOM 1272 CB LEU A 79 -5.259 -10.623 -5.775 1.00 63.44 C ATOM 1273 CG LEU A 79 -5.241 -11.429 -7.087 1.00 42.41 C ATOM 1274 CD1 LEU A 79 -4.795 -10.549 -8.253 1.00 53.00 C ATOM 1275 CD2 LEU A 79 -4.333 -12.649 -6.958 1.00 3.23 C ATOM 0 H LEU A 79 -7.651 -11.401 -5.349 1.00 14.43 H new ATOM 0 HA LEU A 79 -5.020 -12.221 -4.354 1.00 34.01 H new ATOM 0 HB2 LEU A 79 -5.917 -9.764 -5.907 1.00 63.44 H new ATOM 0 HB3 LEU A 79 -4.257 -10.233 -5.596 1.00 63.44 H new ATOM 0 HG LEU A 79 -6.254 -11.777 -7.287 1.00 42.41 H new ATOM 0 HD11 LEU A 79 -4.789 -11.137 -9.171 1.00 53.00 H new ATOM 0 HD12 LEU A 79 -5.485 -9.713 -8.362 1.00 53.00 H new ATOM 0 HD13 LEU A 79 -3.792 -10.169 -8.059 1.00 53.00 H new ATOM 0 HD21 LEU A 79 -4.335 -13.205 -7.896 1.00 3.23 H new ATOM 0 HD22 LEU A 79 -3.318 -12.324 -6.730 1.00 3.23 H new ATOM 0 HD23 LEU A 79 -4.697 -13.291 -6.156 1.00 3.23 H new ATOM 1287 N VAL A 80 -5.204 -10.980 -2.159 1.00 24.41 N ATOM 1288 CA VAL A 80 -5.220 -10.222 -0.900 1.00 60.32 C ATOM 1289 C VAL A 80 -3.882 -9.502 -0.639 1.00 3.41 C ATOM 1290 O VAL A 80 -2.805 -10.049 -0.886 1.00 12.14 O ATOM 1291 CB VAL A 80 -5.564 -11.140 0.305 1.00 62.20 C ATOM 1292 CG1 VAL A 80 -4.527 -12.253 0.468 1.00 34.05 C ATOM 1293 CG2 VAL A 80 -5.702 -10.321 1.591 1.00 74.32 C ATOM 0 H VAL A 80 -4.793 -11.911 -2.084 1.00 24.41 H new ATOM 0 HA VAL A 80 -5.998 -9.465 -1.005 1.00 60.32 H new ATOM 0 HB VAL A 80 -6.525 -11.613 0.102 1.00 62.20 H new ATOM 0 HG11 VAL A 80 -4.795 -12.878 1.319 1.00 34.05 H new ATOM 0 HG12 VAL A 80 -4.502 -12.862 -0.436 1.00 34.05 H new ATOM 0 HG13 VAL A 80 -3.544 -11.813 0.637 1.00 34.05 H new ATOM 0 HG21 VAL A 80 -5.943 -10.985 2.421 1.00 74.32 H new ATOM 0 HG22 VAL A 80 -4.763 -9.808 1.798 1.00 74.32 H new ATOM 0 HG23 VAL A 80 -6.498 -9.587 1.471 1.00 74.32 H new ATOM 1303 N TYR A 81 -3.964 -8.272 -0.140 1.00 1.44 N ATOM 1304 CA TYR A 81 -2.774 -7.464 0.150 1.00 24.35 C ATOM 1305 C TYR A 81 -2.899 -6.757 1.510 1.00 43.32 C ATOM 1306 O TYR A 81 -3.871 -6.052 1.771 1.00 1.15 O ATOM 1307 CB TYR A 81 -2.561 -6.435 -0.972 1.00 60.11 C ATOM 1308 CG TYR A 81 -1.320 -5.572 -0.816 1.00 3.11 C ATOM 1309 CD1 TYR A 81 -0.128 -6.105 -0.335 1.00 74.55 C ATOM 1310 CD2 TYR A 81 -1.338 -4.223 -1.164 1.00 63.41 C ATOM 1311 CE1 TYR A 81 1.002 -5.324 -0.199 1.00 4.22 C ATOM 1312 CE2 TYR A 81 -0.209 -3.437 -1.031 1.00 41.04 C ATOM 1313 CZ TYR A 81 0.958 -3.992 -0.551 1.00 74.01 C ATOM 1314 OH TYR A 81 2.083 -3.209 -0.415 1.00 21.52 O ATOM 0 H TYR A 81 -4.846 -7.807 0.075 1.00 1.44 H new ATOM 0 HA TYR A 81 -1.910 -8.127 0.199 1.00 24.35 H new ATOM 0 HB2 TYR A 81 -2.502 -6.963 -1.924 1.00 60.11 H new ATOM 0 HB3 TYR A 81 -3.435 -5.785 -1.021 1.00 60.11 H new ATOM 0 HD1 TYR A 81 -0.086 -7.149 -0.063 1.00 74.55 H new ATOM 0 HD2 TYR A 81 -2.249 -3.784 -1.544 1.00 63.41 H new ATOM 0 HE1 TYR A 81 1.916 -5.755 0.181 1.00 4.22 H new ATOM 0 HE2 TYR A 81 -0.241 -2.392 -1.302 1.00 41.04 H new ATOM 0 HH TYR A 81 2.071 -2.499 -1.090 1.00 21.52 H new ATOM 1324 N ARG A 82 -1.905 -6.954 2.373 1.00 23.11 N ATOM 1325 CA ARG A 82 -1.877 -6.332 3.700 1.00 62.34 C ATOM 1326 C ARG A 82 -0.609 -5.485 3.894 1.00 53.54 C ATOM 1327 O ARG A 82 0.489 -5.903 3.526 1.00 43.14 O ATOM 1328 CB ARG A 82 -1.951 -7.396 4.806 1.00 12.41 C ATOM 1329 CG ARG A 82 -3.230 -8.230 4.790 1.00 1.04 C ATOM 1330 CD ARG A 82 -3.331 -9.128 6.023 1.00 22.12 C ATOM 1331 NE ARG A 82 -3.347 -8.351 7.267 1.00 33.13 N ATOM 1332 CZ ARG A 82 -3.062 -8.840 8.448 1.00 55.21 C ATOM 1333 NH1 ARG A 82 -2.724 -10.080 8.592 1.00 42.42 N ATOM 1334 NH2 ARG A 82 -3.104 -8.079 9.495 1.00 42.21 N ATOM 0 H ARG A 82 -1.098 -7.546 2.176 1.00 23.11 H new ATOM 0 HA ARG A 82 -2.749 -5.681 3.768 1.00 62.34 H new ATOM 0 HB2 ARG A 82 -1.095 -8.063 4.710 1.00 12.41 H new ATOM 0 HB3 ARG A 82 -1.864 -6.903 5.774 1.00 12.41 H new ATOM 0 HG2 ARG A 82 -4.096 -7.569 4.749 1.00 1.04 H new ATOM 0 HG3 ARG A 82 -3.254 -8.843 3.889 1.00 1.04 H new ATOM 0 HD2 ARG A 82 -4.237 -9.730 5.960 1.00 22.12 H new ATOM 0 HD3 ARG A 82 -2.489 -9.820 6.038 1.00 22.12 H new ATOM 0 HE ARG A 82 -3.597 -7.364 7.208 1.00 33.13 H new ATOM 0 HH11 ARG A 82 -2.676 -10.693 7.778 1.00 42.42 H new ATOM 0 HH12 ARG A 82 -2.505 -10.445 9.519 1.00 42.42 H new ATOM 0 HH21 ARG A 82 -3.360 -7.096 9.401 1.00 42.21 H new ATOM 0 HH22 ARG A 82 -2.882 -8.463 10.414 1.00 42.21 H new ATOM 1348 N VAL A 83 -0.766 -4.302 4.485 1.00 20.55 N ATOM 1349 CA VAL A 83 0.369 -3.406 4.755 1.00 43.12 C ATOM 1350 C VAL A 83 0.450 -3.043 6.246 1.00 62.42 C ATOM 1351 O VAL A 83 -0.562 -2.732 6.871 1.00 71.43 O ATOM 1352 CB VAL A 83 0.270 -2.094 3.930 1.00 14.04 C ATOM 1353 CG1 VAL A 83 1.478 -1.190 4.186 1.00 23.51 C ATOM 1354 CG2 VAL A 83 0.123 -2.398 2.440 1.00 1.21 C ATOM 0 H VAL A 83 -1.668 -3.936 4.789 1.00 20.55 H new ATOM 0 HA VAL A 83 1.268 -3.948 4.462 1.00 43.12 H new ATOM 0 HB VAL A 83 -0.622 -1.560 4.256 1.00 14.04 H new ATOM 0 HG11 VAL A 83 1.382 -0.279 3.596 1.00 23.51 H new ATOM 0 HG12 VAL A 83 1.523 -0.933 5.244 1.00 23.51 H new ATOM 0 HG13 VAL A 83 2.391 -1.713 3.901 1.00 23.51 H new ATOM 0 HG21 VAL A 83 0.056 -1.464 1.883 1.00 1.21 H new ATOM 0 HG22 VAL A 83 0.989 -2.963 2.097 1.00 1.21 H new ATOM 0 HG23 VAL A 83 -0.781 -2.984 2.276 1.00 1.21 H new ATOM 1364 N ALA A 84 1.654 -3.093 6.806 1.00 12.42 N ATOM 1365 CA ALA A 84 1.881 -2.699 8.203 1.00 43.51 C ATOM 1366 C ALA A 84 2.905 -1.558 8.289 1.00 42.43 C ATOM 1367 O ALA A 84 4.013 -1.676 7.768 1.00 32.13 O ATOM 1368 CB ALA A 84 2.354 -3.901 9.012 1.00 13.43 C ATOM 0 H ALA A 84 2.494 -3.403 6.317 1.00 12.42 H new ATOM 0 HA ALA A 84 0.940 -2.340 8.620 1.00 43.51 H new ATOM 0 HB1 ALA A 84 2.520 -3.601 10.047 1.00 13.43 H new ATOM 0 HB2 ALA A 84 1.596 -4.683 8.979 1.00 13.43 H new ATOM 0 HB3 ALA A 84 3.285 -4.280 8.590 1.00 13.43 H new ATOM 1374 N ALA A 85 2.538 -0.457 8.945 1.00 52.23 N ATOM 1375 CA ALA A 85 3.425 0.709 9.048 1.00 41.24 C ATOM 1376 C ALA A 85 3.256 1.450 10.383 1.00 62.02 C ATOM 1377 O ALA A 85 2.157 1.532 10.927 1.00 10.43 O ATOM 1378 CB ALA A 85 3.171 1.663 7.885 1.00 1.25 C ATOM 0 H ALA A 85 1.638 -0.345 9.412 1.00 52.23 H new ATOM 0 HA ALA A 85 4.451 0.343 9.005 1.00 41.24 H new ATOM 0 HB1 ALA A 85 3.833 2.525 7.970 1.00 1.25 H new ATOM 0 HB2 ALA A 85 3.364 1.148 6.944 1.00 1.25 H new ATOM 0 HB3 ALA A 85 2.134 1.999 7.909 1.00 1.25 H new ATOM 1384 N ARG A 86 4.357 1.989 10.904 1.00 52.43 N ATOM 1385 CA ARG A 86 4.327 2.786 12.135 1.00 12.15 C ATOM 1386 C ARG A 86 4.525 4.280 11.832 1.00 72.35 C ATOM 1387 O ARG A 86 5.460 4.667 11.128 1.00 51.31 O ATOM 1388 CB ARG A 86 5.407 2.308 13.116 1.00 10.13 C ATOM 1389 CG ARG A 86 5.164 0.908 13.671 1.00 3.22 C ATOM 1390 CD ARG A 86 6.254 0.497 14.654 1.00 62.42 C ATOM 1391 NE ARG A 86 5.980 -0.802 15.268 1.00 22.33 N ATOM 1392 CZ ARG A 86 6.876 -1.739 15.434 1.00 25.01 C ATOM 1393 NH1 ARG A 86 8.093 -1.571 15.023 1.00 73.42 N ATOM 1394 NH2 ARG A 86 6.554 -2.847 16.023 1.00 70.45 N ATOM 0 H ARG A 86 5.285 1.889 10.493 1.00 52.43 H new ATOM 0 HA ARG A 86 3.347 2.651 12.592 1.00 12.15 H new ATOM 0 HB2 ARG A 86 6.374 2.326 12.613 1.00 10.13 H new ATOM 0 HB3 ARG A 86 5.467 3.012 13.946 1.00 10.13 H new ATOM 0 HG2 ARG A 86 4.194 0.876 14.168 1.00 3.22 H new ATOM 0 HG3 ARG A 86 5.125 0.192 12.850 1.00 3.22 H new ATOM 0 HD2 ARG A 86 7.212 0.458 14.136 1.00 62.42 H new ATOM 0 HD3 ARG A 86 6.343 1.254 15.433 1.00 62.42 H new ATOM 0 HE ARG A 86 5.029 -0.988 15.587 1.00 22.33 H new ATOM 0 HH11 ARG A 86 8.361 -0.700 14.564 1.00 73.42 H new ATOM 0 HH12 ARG A 86 8.783 -2.309 15.158 1.00 73.42 H new ATOM 0 HH21 ARG A 86 5.601 -2.988 16.357 1.00 70.45 H new ATOM 0 HH22 ARG A 86 7.254 -3.578 16.152 1.00 70.45 H new ATOM 1408 N LEU A 87 3.643 5.114 12.376 1.00 32.44 N ATOM 1409 CA LEU A 87 3.719 6.565 12.180 1.00 74.15 C ATOM 1410 C LEU A 87 4.417 7.214 13.385 1.00 50.54 C ATOM 1411 O LEU A 87 3.847 7.306 14.480 1.00 62.31 O ATOM 1412 CB LEU A 87 2.302 7.140 11.971 1.00 23.03 C ATOM 1413 CG LEU A 87 2.210 8.500 11.250 1.00 24.21 C ATOM 1414 CD1 LEU A 87 0.768 8.777 10.839 1.00 61.20 C ATOM 1415 CD2 LEU A 87 2.742 9.639 12.123 1.00 41.21 C ATOM 0 H LEU A 87 2.863 4.811 12.959 1.00 32.44 H new ATOM 0 HA LEU A 87 4.306 6.787 11.289 1.00 74.15 H new ATOM 0 HB2 LEU A 87 1.719 6.414 11.404 1.00 23.03 H new ATOM 0 HB3 LEU A 87 1.827 7.239 12.947 1.00 23.03 H new ATOM 0 HG LEU A 87 2.835 8.449 10.358 1.00 24.21 H new ATOM 0 HD11 LEU A 87 0.713 9.740 10.331 1.00 61.20 H new ATOM 0 HD12 LEU A 87 0.424 7.991 10.166 1.00 61.20 H new ATOM 0 HD13 LEU A 87 0.135 8.798 11.726 1.00 61.20 H new ATOM 0 HD21 LEU A 87 2.661 10.581 11.581 1.00 41.21 H new ATOM 0 HD22 LEU A 87 2.158 9.697 13.041 1.00 41.21 H new ATOM 0 HD23 LEU A 87 3.787 9.451 12.369 1.00 41.21 H new ATOM 1427 N LEU A 88 5.652 7.655 13.166 1.00 53.34 N ATOM 1428 CA LEU A 88 6.527 8.126 14.243 1.00 4.10 C ATOM 1429 C LEU A 88 6.712 9.651 14.215 1.00 30.42 C ATOM 1430 O LEU A 88 6.312 10.326 13.263 1.00 62.03 O ATOM 1431 CB LEU A 88 7.897 7.447 14.106 1.00 64.22 C ATOM 1432 CG LEU A 88 7.862 5.930 13.856 1.00 22.01 C ATOM 1433 CD1 LEU A 88 9.268 5.390 13.627 1.00 51.34 C ATOM 1434 CD2 LEU A 88 7.181 5.200 15.009 1.00 52.35 C ATOM 0 H LEU A 88 6.077 7.697 12.240 1.00 53.34 H new ATOM 0 HA LEU A 88 6.058 7.868 15.193 1.00 4.10 H new ATOM 0 HB2 LEU A 88 8.437 7.920 13.286 1.00 64.22 H new ATOM 0 HB3 LEU A 88 8.469 7.635 15.015 1.00 64.22 H new ATOM 0 HG LEU A 88 7.276 5.750 12.955 1.00 22.01 H new ATOM 0 HD11 LEU A 88 9.221 4.315 13.452 1.00 51.34 H new ATOM 0 HD12 LEU A 88 9.709 5.880 12.759 1.00 51.34 H new ATOM 0 HD13 LEU A 88 9.881 5.588 14.506 1.00 51.34 H new ATOM 0 HD21 LEU A 88 7.170 4.129 14.806 1.00 52.35 H new ATOM 0 HD22 LEU A 88 7.728 5.389 15.933 1.00 52.35 H new ATOM 0 HD23 LEU A 88 6.157 5.560 15.114 1.00 52.35 H new ATOM 1446 N ASP A 89 7.332 10.184 15.265 1.00 5.22 N ATOM 1447 CA ASP A 89 7.641 11.614 15.349 1.00 22.34 C ATOM 1448 C ASP A 89 9.154 11.857 15.183 1.00 12.15 C ATOM 1449 O ASP A 89 9.902 10.949 14.812 1.00 53.55 O ATOM 1450 CB ASP A 89 7.162 12.166 16.697 1.00 11.33 C ATOM 1451 CG ASP A 89 8.046 11.729 17.854 1.00 60.01 C ATOM 1452 OD1 ASP A 89 8.305 10.519 17.993 1.00 4.11 O ATOM 1453 OD2 ASP A 89 8.502 12.608 18.615 1.00 61.12 O ATOM 0 H ASP A 89 7.633 9.644 16.077 1.00 5.22 H new ATOM 0 HA ASP A 89 7.123 12.132 14.542 1.00 22.34 H new ATOM 0 HB2 ASP A 89 7.140 13.255 16.653 1.00 11.33 H new ATOM 0 HB3 ASP A 89 6.140 11.833 16.879 1.00 11.33 H new ATOM 1458 N ALA A 90 9.602 13.079 15.476 1.00 1.43 N ATOM 1459 CA ALA A 90 11.029 13.422 15.395 1.00 64.01 C ATOM 1460 C ALA A 90 11.883 12.553 16.338 1.00 41.53 C ATOM 1461 O ALA A 90 13.044 12.255 16.046 1.00 3.51 O ATOM 1462 CB ALA A 90 11.236 14.902 15.701 1.00 55.54 C ATOM 0 H ALA A 90 9.001 13.849 15.771 1.00 1.43 H new ATOM 0 HA ALA A 90 11.359 13.219 14.376 1.00 64.01 H new ATOM 0 HB1 ALA A 90 12.297 15.142 15.637 1.00 55.54 H new ATOM 0 HB2 ALA A 90 10.684 15.504 14.979 1.00 55.54 H new ATOM 0 HB3 ALA A 90 10.875 15.120 16.706 1.00 55.54 H new ATOM 1468 N HIS A 91 11.298 12.128 17.460 1.00 40.04 N ATOM 1469 CA HIS A 91 12.000 11.272 18.429 1.00 42.12 C ATOM 1470 C HIS A 91 11.925 9.782 18.038 1.00 40.53 C ATOM 1471 O HIS A 91 12.309 8.909 18.822 1.00 24.41 O ATOM 1472 CB HIS A 91 11.417 11.467 19.835 1.00 74.55 C ATOM 1473 CG HIS A 91 11.540 12.868 20.346 1.00 21.52 C ATOM 1474 ND1 HIS A 91 12.717 13.394 20.826 1.00 23.52 N ATOM 1475 CD2 HIS A 91 10.624 13.857 20.454 1.00 12.55 C ATOM 1476 CE1 HIS A 91 12.519 14.638 21.206 1.00 41.22 C ATOM 1477 NE2 HIS A 91 11.258 14.944 20.992 1.00 33.43 N ATOM 0 H HIS A 91 10.340 12.361 17.723 1.00 40.04 H new ATOM 0 HA HIS A 91 13.049 11.570 18.424 1.00 42.12 H new ATOM 0 HB2 HIS A 91 10.364 11.184 19.825 1.00 74.55 H new ATOM 0 HB3 HIS A 91 11.922 10.792 20.526 1.00 74.55 H new ATOM 0 HD2 HIS A 91 9.584 13.800 20.168 1.00 12.55 H new ATOM 0 HE1 HIS A 91 13.266 15.297 21.623 1.00 41.22 H new ATOM 0 HE2 HIS A 91 10.823 15.844 21.194 1.00 33.43 H new ATOM 1486 N ASN A 92 11.423 9.507 16.828 1.00 44.50 N ATOM 1487 CA ASN A 92 11.341 8.137 16.283 1.00 73.44 C ATOM 1488 C ASN A 92 10.369 7.245 17.081 1.00 64.31 C ATOM 1489 O ASN A 92 10.360 6.023 16.919 1.00 42.10 O ATOM 1490 CB ASN A 92 12.729 7.469 16.238 1.00 2.41 C ATOM 1491 CG ASN A 92 13.733 8.179 15.335 1.00 13.43 C ATOM 1492 OD1 ASN A 92 13.721 9.498 15.320 1.00 52.23 O flip ATOM 1493 ND2 ASN A 92 14.541 7.539 14.670 1.00 25.30 N flip ATOM 0 H ASN A 92 11.062 10.222 16.197 1.00 44.50 H new ATOM 0 HA ASN A 92 10.955 8.237 15.268 1.00 73.44 H new ATOM 0 HB2 ASN A 92 13.133 7.427 17.250 1.00 2.41 H new ATOM 0 HB3 ASN A 92 12.614 6.440 15.897 1.00 2.41 H new ATOM 0 HD21 ASN A 92 14.531 6.519 14.698 1.00 25.30 H new ATOM 0 HD22 ASN A 92 15.223 8.026 14.089 1.00 25.30 H new ATOM 1500 N ALA A 93 9.544 7.855 17.927 1.00 2.15 N ATOM 1501 CA ALA A 93 8.592 7.105 18.757 1.00 10.44 C ATOM 1502 C ALA A 93 7.217 7.017 18.080 1.00 63.12 C ATOM 1503 O ALA A 93 6.884 7.840 17.227 1.00 4.44 O ATOM 1504 CB ALA A 93 8.469 7.761 20.129 1.00 62.22 C ATOM 0 H ALA A 93 9.511 8.866 18.060 1.00 2.15 H new ATOM 0 HA ALA A 93 8.969 6.090 18.880 1.00 10.44 H new ATOM 0 HB1 ALA A 93 7.761 7.199 20.739 1.00 62.22 H new ATOM 0 HB2 ALA A 93 9.443 7.768 20.618 1.00 62.22 H new ATOM 0 HB3 ALA A 93 8.114 8.785 20.012 1.00 62.22 H new ATOM 1510 N GLU A 94 6.418 6.019 18.457 1.00 71.12 N ATOM 1511 CA GLU A 94 5.083 5.845 17.873 1.00 22.13 C ATOM 1512 C GLU A 94 4.144 6.988 18.284 1.00 73.13 C ATOM 1513 O GLU A 94 3.361 6.858 19.223 1.00 2.22 O ATOM 1514 CB GLU A 94 4.467 4.489 18.269 1.00 20.30 C ATOM 1515 CG GLU A 94 5.216 3.265 17.734 1.00 75.13 C ATOM 1516 CD GLU A 94 6.521 2.991 18.466 1.00 53.43 C ATOM 1517 OE1 GLU A 94 6.467 2.569 19.639 1.00 12.10 O ATOM 1518 OE2 GLU A 94 7.606 3.189 17.879 1.00 43.41 O ATOM 0 H GLU A 94 6.667 5.322 19.159 1.00 71.12 H new ATOM 0 HA GLU A 94 5.202 5.865 16.790 1.00 22.13 H new ATOM 0 HB2 GLU A 94 4.428 4.427 19.357 1.00 20.30 H new ATOM 0 HB3 GLU A 94 3.438 4.454 17.910 1.00 20.30 H new ATOM 0 HG2 GLU A 94 4.572 2.390 17.814 1.00 75.13 H new ATOM 0 HG3 GLU A 94 5.425 3.410 16.674 1.00 75.13 H new ATOM 1525 N LEU A 95 4.248 8.116 17.585 1.00 50.10 N ATOM 1526 CA LEU A 95 3.395 9.277 17.850 1.00 54.34 C ATOM 1527 C LEU A 95 1.922 8.925 17.581 1.00 10.11 C ATOM 1528 O LEU A 95 1.082 8.968 18.482 1.00 43.31 O ATOM 1529 CB LEU A 95 3.846 10.462 16.968 1.00 53.32 C ATOM 1530 CG LEU A 95 3.403 11.874 17.418 1.00 35.44 C ATOM 1531 CD1 LEU A 95 1.890 12.066 17.302 1.00 11.42 C ATOM 1532 CD2 LEU A 95 3.879 12.158 18.843 1.00 75.14 C ATOM 0 H LEU A 95 4.917 8.253 16.827 1.00 50.10 H new ATOM 0 HA LEU A 95 3.489 9.564 18.897 1.00 54.34 H new ATOM 0 HB2 LEU A 95 4.934 10.449 16.912 1.00 53.32 H new ATOM 0 HB3 LEU A 95 3.473 10.295 15.958 1.00 53.32 H new ATOM 0 HG LEU A 95 3.870 12.592 16.744 1.00 35.44 H new ATOM 0 HD11 LEU A 95 1.625 13.072 17.629 1.00 11.42 H new ATOM 0 HD12 LEU A 95 1.584 11.929 16.265 1.00 11.42 H new ATOM 0 HD13 LEU A 95 1.381 11.335 17.930 1.00 11.42 H new ATOM 0 HD21 LEU A 95 3.558 13.156 19.142 1.00 75.14 H new ATOM 0 HD22 LEU A 95 3.452 11.421 19.523 1.00 75.14 H new ATOM 0 HD23 LEU A 95 4.967 12.100 18.882 1.00 75.14 H new ATOM 1544 N ALA A 96 1.620 8.573 16.335 1.00 42.34 N ATOM 1545 CA ALA A 96 0.256 8.202 15.946 1.00 3.31 C ATOM 1546 C ALA A 96 0.072 6.677 15.907 1.00 3.53 C ATOM 1547 O ALA A 96 -0.992 6.167 16.259 1.00 4.11 O ATOM 1548 CB ALA A 96 -0.085 8.813 14.591 1.00 30.23 C ATOM 0 H ALA A 96 2.299 8.536 15.575 1.00 42.34 H new ATOM 0 HA ALA A 96 -0.426 8.596 16.700 1.00 3.31 H new ATOM 0 HB1 ALA A 96 -1.100 8.532 14.310 1.00 30.23 H new ATOM 0 HB2 ALA A 96 -0.013 9.899 14.653 1.00 30.23 H new ATOM 0 HB3 ALA A 96 0.614 8.445 13.840 1.00 30.23 H new ATOM 1554 N SER A 97 1.126 5.960 15.495 1.00 5.25 N ATOM 1555 CA SER A 97 1.078 4.494 15.334 1.00 1.32 C ATOM 1556 C SER A 97 -0.022 4.078 14.339 1.00 2.12 C ATOM 1557 O SER A 97 -1.165 3.834 14.724 1.00 44.23 O ATOM 1558 CB SER A 97 0.862 3.796 16.689 1.00 20.25 C ATOM 1559 OG SER A 97 0.866 2.382 16.551 1.00 1.53 O ATOM 0 H SER A 97 2.030 6.372 15.265 1.00 5.25 H new ATOM 0 HA SER A 97 2.040 4.178 14.932 1.00 1.32 H new ATOM 0 HB2 SER A 97 1.646 4.097 17.384 1.00 20.25 H new ATOM 0 HB3 SER A 97 -0.086 4.118 17.119 1.00 20.25 H new ATOM 0 HG SER A 97 0.888 1.967 17.438 1.00 1.53 H new ATOM 1565 N LEU A 98 0.335 3.995 13.058 1.00 21.15 N ATOM 1566 CA LEU A 98 -0.641 3.746 11.990 1.00 63.23 C ATOM 1567 C LEU A 98 -1.222 2.316 12.058 1.00 24.42 C ATOM 1568 O LEU A 98 -0.701 1.454 12.768 1.00 5.32 O ATOM 1569 CB LEU A 98 0.023 4.015 10.631 1.00 14.02 C ATOM 1570 CG LEU A 98 -0.925 4.119 9.425 1.00 30.22 C ATOM 1571 CD1 LEU A 98 -2.027 5.142 9.694 1.00 54.13 C ATOM 1572 CD2 LEU A 98 -0.142 4.495 8.172 1.00 62.12 C ATOM 0 H LEU A 98 1.296 4.097 12.731 1.00 21.15 H new ATOM 0 HA LEU A 98 -1.484 4.425 12.122 1.00 63.23 H new ATOM 0 HB2 LEU A 98 0.589 4.943 10.703 1.00 14.02 H new ATOM 0 HB3 LEU A 98 0.741 3.218 10.436 1.00 14.02 H new ATOM 0 HG LEU A 98 -1.393 3.147 9.266 1.00 30.22 H new ATOM 0 HD11 LEU A 98 -2.688 5.201 8.829 1.00 54.13 H new ATOM 0 HD12 LEU A 98 -2.601 4.837 10.569 1.00 54.13 H new ATOM 0 HD13 LEU A 98 -1.580 6.119 9.876 1.00 54.13 H new ATOM 0 HD21 LEU A 98 -0.824 4.566 7.324 1.00 62.12 H new ATOM 0 HD22 LEU A 98 0.349 5.456 8.324 1.00 62.12 H new ATOM 0 HD23 LEU A 98 0.610 3.732 7.970 1.00 62.12 H new ATOM 1584 N GLN A 99 -2.316 2.081 11.328 1.00 32.21 N ATOM 1585 CA GLN A 99 -3.018 0.788 11.361 1.00 4.54 C ATOM 1586 C GLN A 99 -2.462 -0.204 10.326 1.00 20.52 C ATOM 1587 O GLN A 99 -1.558 0.112 9.552 1.00 22.34 O ATOM 1588 CB GLN A 99 -4.513 0.991 11.079 1.00 34.31 C ATOM 1589 CG GLN A 99 -4.807 1.408 9.638 1.00 1.04 C ATOM 1590 CD GLN A 99 -6.279 1.310 9.276 1.00 72.24 C ATOM 1591 OE1 GLN A 99 -7.031 2.265 9.410 1.00 0.44 O ATOM 1592 NE2 GLN A 99 -6.704 0.145 8.823 1.00 33.20 N ATOM 0 H GLN A 99 -2.738 2.769 10.704 1.00 32.21 H new ATOM 0 HA GLN A 99 -2.865 0.374 12.357 1.00 4.54 H new ATOM 0 HB2 GLN A 99 -5.045 0.065 11.298 1.00 34.31 H new ATOM 0 HB3 GLN A 99 -4.903 1.751 11.756 1.00 34.31 H new ATOM 0 HG2 GLN A 99 -4.470 2.433 9.487 1.00 1.04 H new ATOM 0 HG3 GLN A 99 -4.230 0.780 8.960 1.00 1.04 H new ATOM 0 HE21 GLN A 99 -6.051 -0.632 8.723 1.00 33.20 H new ATOM 0 HE22 GLN A 99 -7.685 0.022 8.573 1.00 33.20 H new ATOM 1601 N GLU A 100 -3.033 -1.409 10.324 1.00 24.32 N ATOM 1602 CA GLU A 100 -2.757 -2.400 9.281 1.00 3.23 C ATOM 1603 C GLU A 100 -3.797 -2.296 8.148 1.00 34.31 C ATOM 1604 O GLU A 100 -4.988 -2.095 8.393 1.00 34.41 O ATOM 1605 CB GLU A 100 -2.746 -3.830 9.867 1.00 74.33 C ATOM 1606 CG GLU A 100 -4.121 -4.395 10.247 1.00 71.12 C ATOM 1607 CD GLU A 100 -4.843 -3.602 11.332 1.00 63.21 C ATOM 1608 OE1 GLU A 100 -4.196 -3.223 12.332 1.00 55.13 O ATOM 1609 OE2 GLU A 100 -6.070 -3.383 11.201 1.00 71.34 O ATOM 0 H GLU A 100 -3.692 -1.724 11.036 1.00 24.32 H new ATOM 0 HA GLU A 100 -1.769 -2.191 8.870 1.00 3.23 H new ATOM 0 HB2 GLU A 100 -2.285 -4.499 9.140 1.00 74.33 H new ATOM 0 HB3 GLU A 100 -2.112 -3.837 10.753 1.00 74.33 H new ATOM 0 HG2 GLU A 100 -4.748 -4.425 9.356 1.00 71.12 H new ATOM 0 HG3 GLU A 100 -3.998 -5.424 10.585 1.00 71.12 H new ATOM 1616 N ILE A 101 -3.337 -2.417 6.909 1.00 0.15 N ATOM 1617 CA ILE A 101 -4.221 -2.349 5.738 1.00 62.24 C ATOM 1618 C ILE A 101 -4.555 -3.757 5.215 1.00 71.40 C ATOM 1619 O ILE A 101 -3.754 -4.682 5.351 1.00 13.35 O ATOM 1620 CB ILE A 101 -3.564 -1.518 4.602 1.00 73.12 C ATOM 1621 CG1 ILE A 101 -3.169 -0.125 5.125 1.00 4.33 C ATOM 1622 CG2 ILE A 101 -4.500 -1.395 3.397 1.00 71.23 C ATOM 1623 CD1 ILE A 101 -2.473 0.740 4.097 1.00 24.13 C ATOM 0 H ILE A 101 -2.353 -2.564 6.682 1.00 0.15 H new ATOM 0 HA ILE A 101 -5.144 -1.862 6.051 1.00 62.24 H new ATOM 0 HB ILE A 101 -2.664 -2.039 4.274 1.00 73.12 H new ATOM 0 HG12 ILE A 101 -4.065 0.390 5.472 1.00 4.33 H new ATOM 0 HG13 ILE A 101 -2.515 -0.244 5.989 1.00 4.33 H new ATOM 0 HG21 ILE A 101 -4.014 -0.808 2.617 1.00 71.23 H new ATOM 0 HG22 ILE A 101 -4.731 -2.389 3.013 1.00 71.23 H new ATOM 0 HG23 ILE A 101 -5.422 -0.900 3.702 1.00 71.23 H new ATOM 0 HD11 ILE A 101 -2.226 1.705 4.540 1.00 24.13 H new ATOM 0 HD12 ILE A 101 -1.558 0.248 3.767 1.00 24.13 H new ATOM 0 HD13 ILE A 101 -3.132 0.891 3.242 1.00 24.13 H new ATOM 1635 N ARG A 102 -5.744 -3.915 4.629 1.00 21.24 N ATOM 1636 CA ARG A 102 -6.152 -5.189 4.021 1.00 15.04 C ATOM 1637 C ARG A 102 -7.049 -4.959 2.790 1.00 64.41 C ATOM 1638 O ARG A 102 -8.132 -4.383 2.891 1.00 44.14 O ATOM 1639 CB ARG A 102 -6.867 -6.077 5.056 1.00 14.31 C ATOM 1640 CG ARG A 102 -8.034 -5.398 5.769 1.00 74.10 C ATOM 1641 CD ARG A 102 -8.711 -6.339 6.764 1.00 43.50 C ATOM 1642 NE ARG A 102 -9.819 -5.696 7.471 1.00 20.32 N ATOM 1643 CZ ARG A 102 -11.084 -5.972 7.261 1.00 62.13 C ATOM 1644 NH1 ARG A 102 -11.435 -6.849 6.370 1.00 71.02 N ATOM 1645 NH2 ARG A 102 -12.000 -5.373 7.950 1.00 71.14 N ATOM 0 H ARG A 102 -6.444 -3.176 4.561 1.00 21.24 H new ATOM 0 HA ARG A 102 -5.252 -5.704 3.685 1.00 15.04 H new ATOM 0 HB2 ARG A 102 -7.234 -6.973 4.556 1.00 14.31 H new ATOM 0 HB3 ARG A 102 -6.141 -6.402 5.801 1.00 14.31 H new ATOM 0 HG2 ARG A 102 -7.675 -4.512 6.292 1.00 74.10 H new ATOM 0 HG3 ARG A 102 -8.764 -5.060 5.033 1.00 74.10 H new ATOM 0 HD2 ARG A 102 -9.081 -7.218 6.236 1.00 43.50 H new ATOM 0 HD3 ARG A 102 -7.975 -6.689 7.488 1.00 43.50 H new ATOM 0 HE ARG A 102 -9.594 -4.989 8.171 1.00 20.32 H new ATOM 0 HH11 ARG A 102 -10.723 -7.333 5.823 1.00 71.02 H new ATOM 0 HH12 ARG A 102 -12.423 -7.054 6.217 1.00 71.02 H new ATOM 0 HH21 ARG A 102 -11.739 -4.686 8.657 1.00 71.14 H new ATOM 0 HH22 ARG A 102 -12.984 -5.588 7.786 1.00 71.14 H new ATOM 1659 N LEU A 103 -6.579 -5.403 1.625 1.00 70.22 N ATOM 1660 CA LEU A 103 -7.310 -5.229 0.361 1.00 61.22 C ATOM 1661 C LEU A 103 -7.477 -6.564 -0.381 1.00 31.42 C ATOM 1662 O LEU A 103 -6.713 -7.506 -0.167 1.00 11.24 O ATOM 1663 CB LEU A 103 -6.570 -4.232 -0.543 1.00 22.43 C ATOM 1664 CG LEU A 103 -6.387 -2.821 0.043 1.00 64.23 C ATOM 1665 CD1 LEU A 103 -5.537 -1.961 -0.887 1.00 31.15 C ATOM 1666 CD2 LEU A 103 -7.741 -2.159 0.305 1.00 64.04 C ATOM 0 H LEU A 103 -5.688 -5.890 1.526 1.00 70.22 H new ATOM 0 HA LEU A 103 -8.301 -4.844 0.602 1.00 61.22 H new ATOM 0 HB2 LEU A 103 -5.587 -4.640 -0.777 1.00 22.43 H new ATOM 0 HB3 LEU A 103 -7.113 -4.149 -1.484 1.00 22.43 H new ATOM 0 HG LEU A 103 -5.867 -2.914 0.996 1.00 64.23 H new ATOM 0 HD11 LEU A 103 -5.418 -0.967 -0.456 1.00 31.15 H new ATOM 0 HD12 LEU A 103 -4.557 -2.421 -1.013 1.00 31.15 H new ATOM 0 HD13 LEU A 103 -6.027 -1.880 -1.857 1.00 31.15 H new ATOM 0 HD21 LEU A 103 -7.585 -1.163 0.719 1.00 64.04 H new ATOM 0 HD22 LEU A 103 -8.295 -2.080 -0.631 1.00 64.04 H new ATOM 0 HD23 LEU A 103 -8.309 -2.761 1.014 1.00 64.04 H new ATOM 1678 N THR A 104 -8.483 -6.632 -1.255 1.00 60.22 N ATOM 1679 CA THR A 104 -8.761 -7.837 -2.058 1.00 12.54 C ATOM 1680 C THR A 104 -9.092 -7.473 -3.514 1.00 62.12 C ATOM 1681 O THR A 104 -9.984 -6.665 -3.776 1.00 72.31 O ATOM 1682 CB THR A 104 -9.945 -8.655 -1.479 1.00 65.31 C ATOM 1683 OG1 THR A 104 -11.114 -7.823 -1.364 1.00 43.41 O ATOM 1684 CG2 THR A 104 -9.599 -9.245 -0.113 1.00 41.41 C ATOM 0 H THR A 104 -9.128 -5.861 -1.430 1.00 60.22 H new ATOM 0 HA THR A 104 -7.855 -8.441 -2.024 1.00 12.54 H new ATOM 0 HB THR A 104 -10.148 -9.477 -2.166 1.00 65.31 H new ATOM 0 HG1 THR A 104 -11.066 -7.099 -2.023 1.00 43.41 H new ATOM 0 HG21 THR A 104 -10.450 -9.812 0.265 1.00 41.41 H new ATOM 0 HG22 THR A 104 -8.737 -9.905 -0.210 1.00 41.41 H new ATOM 0 HG23 THR A 104 -9.363 -8.439 0.582 1.00 41.41 H new ATOM 1692 N ARG A 105 -8.366 -8.057 -4.466 1.00 71.20 N ATOM 1693 CA ARG A 105 -8.620 -7.817 -5.896 1.00 14.34 C ATOM 1694 C ARG A 105 -9.303 -9.026 -6.553 1.00 24.33 C ATOM 1695 O ARG A 105 -9.035 -10.174 -6.194 1.00 31.21 O ATOM 1696 CB ARG A 105 -7.314 -7.497 -6.634 1.00 63.14 C ATOM 1697 CG ARG A 105 -6.591 -6.244 -6.135 1.00 71.34 C ATOM 1698 CD ARG A 105 -7.420 -4.965 -6.304 1.00 63.51 C ATOM 1699 NE ARG A 105 -8.418 -4.789 -5.242 1.00 52.15 N ATOM 1700 CZ ARG A 105 -8.748 -3.631 -4.727 1.00 41.31 C ATOM 1701 NH1 ARG A 105 -8.245 -2.536 -5.202 1.00 21.24 N ATOM 1702 NH2 ARG A 105 -9.601 -3.573 -3.752 1.00 20.35 N ATOM 0 H ARG A 105 -7.597 -8.700 -4.279 1.00 71.20 H new ATOM 0 HA ARG A 105 -9.290 -6.960 -5.968 1.00 14.34 H new ATOM 0 HB2 ARG A 105 -6.641 -8.350 -6.541 1.00 63.14 H new ATOM 0 HB3 ARG A 105 -7.532 -7.377 -7.695 1.00 63.14 H new ATOM 0 HG2 ARG A 105 -6.341 -6.371 -5.082 1.00 71.34 H new ATOM 0 HG3 ARG A 105 -5.651 -6.135 -6.675 1.00 71.34 H new ATOM 0 HD2 ARG A 105 -6.752 -4.104 -6.315 1.00 63.51 H new ATOM 0 HD3 ARG A 105 -7.925 -4.990 -7.270 1.00 63.51 H new ATOM 0 HE ARG A 105 -8.884 -5.622 -4.882 1.00 52.15 H new ATOM 0 HH11 ARG A 105 -7.588 -2.573 -5.981 1.00 21.24 H new ATOM 0 HH12 ARG A 105 -8.506 -1.637 -4.797 1.00 21.24 H new ATOM 0 HH21 ARG A 105 -10.016 -4.430 -3.385 1.00 20.35 H new ATOM 0 HH22 ARG A 105 -9.857 -2.671 -3.352 1.00 20.35 H new ATOM 1716 N ILE A 106 -10.179 -8.760 -7.522 1.00 64.21 N ATOM 1717 CA ILE A 106 -10.946 -9.818 -8.191 1.00 64.10 C ATOM 1718 C ILE A 106 -10.282 -10.254 -9.509 1.00 64.44 C ATOM 1719 O ILE A 106 -10.306 -9.521 -10.501 1.00 71.54 O ATOM 1720 CB ILE A 106 -12.397 -9.351 -8.484 1.00 72.20 C ATOM 1721 CG1 ILE A 106 -13.066 -8.823 -7.201 1.00 63.33 C ATOM 1722 CG2 ILE A 106 -13.224 -10.485 -9.098 1.00 1.41 C ATOM 1723 CD1 ILE A 106 -13.147 -9.839 -6.079 1.00 74.41 C ATOM 0 H ILE A 106 -10.377 -7.820 -7.864 1.00 64.21 H new ATOM 0 HA ILE A 106 -10.968 -10.670 -7.511 1.00 64.10 H new ATOM 0 HB ILE A 106 -12.351 -8.537 -9.208 1.00 72.20 H new ATOM 0 HG12 ILE A 106 -12.513 -7.952 -6.848 1.00 63.33 H new ATOM 0 HG13 ILE A 106 -14.073 -8.484 -7.443 1.00 63.33 H new ATOM 0 HG21 ILE A 106 -14.237 -10.132 -9.294 1.00 1.41 H new ATOM 0 HG22 ILE A 106 -12.764 -10.806 -10.033 1.00 1.41 H new ATOM 0 HG23 ILE A 106 -13.260 -11.325 -8.405 1.00 1.41 H new ATOM 0 HD11 ILE A 106 -13.631 -9.387 -5.213 1.00 74.41 H new ATOM 0 HD12 ILE A 106 -13.726 -10.701 -6.410 1.00 74.41 H new ATOM 0 HD13 ILE A 106 -12.142 -10.161 -5.806 1.00 74.41 H new ATOM 1735 N LEU A 107 -9.681 -11.442 -9.508 1.00 73.25 N ATOM 1736 CA LEU A 107 -9.052 -12.000 -10.716 1.00 4.33 C ATOM 1737 C LEU A 107 -9.952 -13.097 -11.333 1.00 4.53 C ATOM 1738 O LEU A 107 -10.188 -14.132 -10.713 1.00 11.34 O ATOM 1739 CB LEU A 107 -7.661 -12.564 -10.353 1.00 22.25 C ATOM 1740 CG LEU A 107 -6.656 -12.741 -11.512 1.00 71.33 C ATOM 1741 CD1 LEU A 107 -7.084 -13.848 -12.473 1.00 64.14 C ATOM 1742 CD2 LEU A 107 -6.465 -11.423 -12.258 1.00 72.03 C ATOM 0 H LEU A 107 -9.613 -12.042 -8.686 1.00 73.25 H new ATOM 0 HA LEU A 107 -8.929 -11.213 -11.460 1.00 4.33 H new ATOM 0 HB2 LEU A 107 -7.211 -11.905 -9.611 1.00 22.25 H new ATOM 0 HB3 LEU A 107 -7.802 -13.533 -9.875 1.00 22.25 H new ATOM 0 HG LEU A 107 -5.702 -13.041 -11.077 1.00 71.33 H new ATOM 0 HD11 LEU A 107 -6.350 -13.939 -13.273 1.00 64.14 H new ATOM 0 HD12 LEU A 107 -7.152 -14.792 -11.933 1.00 64.14 H new ATOM 0 HD13 LEU A 107 -8.057 -13.603 -12.900 1.00 64.14 H new ATOM 0 HD21 LEU A 107 -5.754 -11.565 -13.072 1.00 72.03 H new ATOM 0 HD22 LEU A 107 -7.421 -11.094 -12.665 1.00 72.03 H new ATOM 0 HD23 LEU A 107 -6.084 -10.668 -11.571 1.00 72.03 H new ATOM 1754 N PRO A 108 -10.470 -12.888 -12.563 1.00 71.45 N ATOM 1755 CA PRO A 108 -11.401 -13.839 -13.205 1.00 1.13 C ATOM 1756 C PRO A 108 -10.708 -15.101 -13.756 1.00 0.44 C ATOM 1757 O PRO A 108 -9.630 -15.029 -14.352 1.00 11.11 O ATOM 1758 CB PRO A 108 -12.000 -13.004 -14.344 1.00 15.23 C ATOM 1759 CG PRO A 108 -10.917 -12.046 -14.712 1.00 32.41 C ATOM 1760 CD PRO A 108 -10.187 -11.723 -13.430 1.00 51.12 C ATOM 0 HA PRO A 108 -12.133 -14.231 -12.499 1.00 1.13 H new ATOM 0 HB2 PRO A 108 -12.281 -13.630 -15.191 1.00 15.23 H new ATOM 0 HB3 PRO A 108 -12.901 -12.481 -14.022 1.00 15.23 H new ATOM 0 HG2 PRO A 108 -10.241 -12.486 -15.445 1.00 32.41 H new ATOM 0 HG3 PRO A 108 -11.332 -11.144 -15.162 1.00 32.41 H new ATOM 0 HD2 PRO A 108 -9.117 -11.600 -13.598 1.00 51.12 H new ATOM 0 HD3 PRO A 108 -10.549 -10.796 -12.986 1.00 51.12 H new ATOM 1768 N PHE A 109 -11.338 -16.261 -13.553 1.00 3.33 N ATOM 1769 CA PHE A 109 -10.807 -17.533 -14.054 1.00 33.03 C ATOM 1770 C PHE A 109 -10.808 -17.587 -15.594 1.00 14.40 C ATOM 1771 O PHE A 109 -11.841 -17.837 -16.223 1.00 60.24 O ATOM 1772 CB PHE A 109 -11.615 -18.709 -13.477 1.00 62.12 C ATOM 1773 CG PHE A 109 -11.149 -20.069 -13.951 1.00 53.04 C ATOM 1774 CD1 PHE A 109 -9.927 -20.585 -13.540 1.00 42.55 C ATOM 1775 CD2 PHE A 109 -11.936 -20.834 -14.805 1.00 32.23 C ATOM 1776 CE1 PHE A 109 -9.501 -21.828 -13.970 1.00 11.13 C ATOM 1777 CE2 PHE A 109 -11.513 -22.078 -15.238 1.00 54.02 C ATOM 1778 CZ PHE A 109 -10.294 -22.574 -14.819 1.00 74.12 C ATOM 0 H PHE A 109 -12.218 -16.346 -13.044 1.00 3.33 H new ATOM 0 HA PHE A 109 -9.771 -17.613 -13.724 1.00 33.03 H new ATOM 0 HB2 PHE A 109 -11.558 -18.676 -12.389 1.00 62.12 H new ATOM 0 HB3 PHE A 109 -12.664 -18.582 -13.745 1.00 62.12 H new ATOM 0 HD1 PHE A 109 -9.301 -20.008 -12.876 1.00 42.55 H new ATOM 0 HD2 PHE A 109 -12.891 -20.452 -15.135 1.00 32.23 H new ATOM 0 HE1 PHE A 109 -8.548 -22.215 -13.642 1.00 11.13 H new ATOM 0 HE2 PHE A 109 -12.135 -22.660 -15.902 1.00 54.02 H new ATOM 0 HZ PHE A 109 -9.961 -23.545 -15.155 1.00 74.12 H new ATOM 1788 N LEU A 110 -9.648 -17.314 -16.188 1.00 52.20 N ATOM 1789 CA LEU A 110 -9.453 -17.427 -17.640 1.00 30.04 C ATOM 1790 C LEU A 110 -8.311 -18.408 -17.950 1.00 51.44 C ATOM 1791 O LEU A 110 -7.133 -18.054 -17.882 1.00 25.51 O ATOM 1792 CB LEU A 110 -9.153 -16.046 -18.247 1.00 42.23 C ATOM 1793 CG LEU A 110 -10.268 -14.997 -18.074 1.00 24.31 C ATOM 1794 CD1 LEU A 110 -9.845 -13.648 -18.653 1.00 63.13 C ATOM 1795 CD2 LEU A 110 -11.566 -15.477 -18.720 1.00 43.44 C ATOM 0 H LEU A 110 -8.817 -17.009 -15.682 1.00 52.20 H new ATOM 0 HA LEU A 110 -10.370 -17.810 -18.086 1.00 30.04 H new ATOM 0 HB2 LEU A 110 -8.239 -15.659 -17.796 1.00 42.23 H new ATOM 0 HB3 LEU A 110 -8.955 -16.170 -19.312 1.00 42.23 H new ATOM 0 HG LEU A 110 -10.444 -14.866 -17.006 1.00 24.31 H new ATOM 0 HD11 LEU A 110 -10.650 -12.926 -18.518 1.00 63.13 H new ATOM 0 HD12 LEU A 110 -8.951 -13.296 -18.139 1.00 63.13 H new ATOM 0 HD13 LEU A 110 -9.632 -13.759 -19.716 1.00 63.13 H new ATOM 0 HD21 LEU A 110 -12.340 -14.721 -18.586 1.00 43.44 H new ATOM 0 HD22 LEU A 110 -11.402 -15.644 -19.785 1.00 43.44 H new ATOM 0 HD23 LEU A 110 -11.883 -16.408 -18.251 1.00 43.44 H new ATOM 1807 N ASP A 111 -8.669 -19.645 -18.281 1.00 54.12 N ATOM 1808 CA ASP A 111 -7.687 -20.720 -18.460 1.00 5.43 C ATOM 1809 C ASP A 111 -6.812 -20.533 -19.715 1.00 21.11 C ATOM 1810 O ASP A 111 -5.647 -20.134 -19.616 1.00 62.12 O ATOM 1811 CB ASP A 111 -8.407 -22.072 -18.513 1.00 55.20 C ATOM 1812 CG ASP A 111 -7.446 -23.226 -18.726 1.00 54.41 C ATOM 1813 OD1 ASP A 111 -6.805 -23.656 -17.747 1.00 34.34 O ATOM 1814 OD2 ASP A 111 -7.310 -23.694 -19.877 1.00 62.13 O ATOM 0 H ASP A 111 -9.636 -19.933 -18.432 1.00 54.12 H new ATOM 0 HA ASP A 111 -7.014 -20.687 -17.604 1.00 5.43 H new ATOM 0 HB2 ASP A 111 -8.956 -22.226 -17.584 1.00 55.20 H new ATOM 0 HB3 ASP A 111 -9.141 -22.059 -19.319 1.00 55.20 H new ATOM 1819 N ALA A 112 -7.386 -20.806 -20.887 1.00 52.32 N ATOM 1820 CA ALA A 112 -6.628 -20.847 -22.147 1.00 13.03 C ATOM 1821 C ALA A 112 -6.031 -19.484 -22.522 1.00 3.02 C ATOM 1822 O ALA A 112 -5.034 -19.412 -23.251 1.00 61.11 O ATOM 1823 CB ALA A 112 -7.515 -21.362 -23.276 1.00 20.31 C ATOM 0 H ALA A 112 -8.381 -21.004 -20.994 1.00 52.32 H new ATOM 0 HA ALA A 112 -5.792 -21.530 -21.996 1.00 13.03 H new ATOM 0 HB1 ALA A 112 -6.944 -21.388 -24.204 1.00 20.31 H new ATOM 0 HB2 ALA A 112 -7.863 -22.366 -23.036 1.00 20.31 H new ATOM 0 HB3 ALA A 112 -8.372 -20.700 -23.396 1.00 20.31 H new ATOM 1829 N GLN A 113 -6.643 -18.408 -22.037 1.00 60.13 N ATOM 1830 CA GLN A 113 -6.142 -17.056 -22.298 1.00 31.13 C ATOM 1831 C GLN A 113 -4.783 -16.823 -21.615 1.00 33.31 C ATOM 1832 O GLN A 113 -4.690 -16.778 -20.385 1.00 10.34 O ATOM 1833 CB GLN A 113 -7.160 -16.003 -21.826 1.00 73.12 C ATOM 1834 CG GLN A 113 -8.522 -16.114 -22.505 1.00 0.12 C ATOM 1835 CD GLN A 113 -8.442 -16.000 -24.020 1.00 10.33 C ATOM 1836 OE1 GLN A 113 -7.574 -15.320 -24.566 1.00 31.41 O ATOM 1837 NE2 GLN A 113 -9.345 -16.667 -24.712 1.00 14.33 N ATOM 0 H GLN A 113 -7.485 -18.442 -21.462 1.00 60.13 H new ATOM 0 HA GLN A 113 -6.003 -16.955 -23.374 1.00 31.13 H new ATOM 0 HB2 GLN A 113 -7.293 -16.098 -20.748 1.00 73.12 H new ATOM 0 HB3 GLN A 113 -6.752 -15.009 -22.011 1.00 73.12 H new ATOM 0 HG2 GLN A 113 -8.976 -17.069 -22.242 1.00 0.12 H new ATOM 0 HG3 GLN A 113 -9.178 -15.332 -22.121 1.00 0.12 H new ATOM 0 HE21 GLN A 113 -10.051 -17.222 -24.228 1.00 14.33 H new ATOM 0 HE22 GLN A 113 -9.337 -16.628 -25.731 1.00 14.33 H new ATOM 1846 N GLU A 114 -3.730 -16.685 -22.418 1.00 60.53 N ATOM 1847 CA GLU A 114 -2.379 -16.450 -21.892 1.00 41.44 C ATOM 1848 C GLU A 114 -2.107 -14.949 -21.685 1.00 22.44 C ATOM 1849 O GLU A 114 -1.429 -14.561 -20.733 1.00 52.31 O ATOM 1850 CB GLU A 114 -1.318 -17.068 -22.816 1.00 64.20 C ATOM 1851 CG GLU A 114 -1.397 -16.602 -24.265 1.00 34.41 C ATOM 1852 CD GLU A 114 -0.272 -17.162 -25.119 1.00 44.01 C ATOM 1853 OE1 GLU A 114 -0.316 -18.365 -25.455 1.00 23.44 O ATOM 1854 OE2 GLU A 114 0.666 -16.408 -25.451 1.00 42.43 O ATOM 0 H GLU A 114 -3.782 -16.731 -23.436 1.00 60.53 H new ATOM 0 HA GLU A 114 -2.317 -16.937 -20.919 1.00 41.44 H new ATOM 0 HB2 GLU A 114 -0.329 -16.830 -22.424 1.00 64.20 H new ATOM 0 HB3 GLU A 114 -1.419 -18.153 -22.790 1.00 64.20 H new ATOM 0 HG2 GLU A 114 -2.355 -16.904 -24.689 1.00 34.41 H new ATOM 0 HG3 GLU A 114 -1.364 -15.513 -24.295 1.00 34.41 H new ATOM 1861 N LEU A 115 -2.648 -14.105 -22.567 1.00 12.32 N ATOM 1862 CA LEU A 115 -2.523 -12.645 -22.416 1.00 13.12 C ATOM 1863 C LEU A 115 -3.140 -12.181 -21.088 1.00 13.12 C ATOM 1864 O LEU A 115 -2.582 -11.333 -20.392 1.00 45.22 O ATOM 1865 CB LEU A 115 -3.191 -11.908 -23.594 1.00 34.31 C ATOM 1866 CG LEU A 115 -2.359 -11.813 -24.890 1.00 73.31 C ATOM 1867 CD1 LEU A 115 -1.084 -11.005 -24.658 1.00 32.42 C ATOM 1868 CD2 LEU A 115 -2.027 -13.201 -25.434 1.00 12.32 C ATOM 0 H LEU A 115 -3.174 -14.400 -23.389 1.00 12.32 H new ATOM 0 HA LEU A 115 -1.461 -12.401 -22.414 1.00 13.12 H new ATOM 0 HB2 LEU A 115 -4.131 -12.410 -23.825 1.00 34.31 H new ATOM 0 HB3 LEU A 115 -3.440 -10.897 -23.270 1.00 34.31 H new ATOM 0 HG LEU A 115 -2.961 -11.295 -25.636 1.00 73.31 H new ATOM 0 HD11 LEU A 115 -0.513 -10.951 -25.585 1.00 32.42 H new ATOM 0 HD12 LEU A 115 -1.346 -9.998 -24.334 1.00 32.42 H new ATOM 0 HD13 LEU A 115 -0.482 -11.489 -23.889 1.00 32.42 H new ATOM 0 HD21 LEU A 115 -1.440 -13.103 -26.347 1.00 12.32 H new ATOM 0 HD22 LEU A 115 -1.453 -13.755 -24.691 1.00 12.32 H new ATOM 0 HD23 LEU A 115 -2.951 -13.737 -25.652 1.00 12.32 H new ATOM 1880 N ALA A 116 -4.284 -12.765 -20.737 1.00 52.35 N ATOM 1881 CA ALA A 116 -4.978 -12.444 -19.482 1.00 15.44 C ATOM 1882 C ALA A 116 -4.089 -12.673 -18.246 1.00 0.20 C ATOM 1883 O ALA A 116 -4.284 -12.045 -17.205 1.00 4.23 O ATOM 1884 CB ALA A 116 -6.256 -13.271 -19.373 1.00 62.41 C ATOM 0 H ALA A 116 -4.756 -13.468 -21.305 1.00 52.35 H new ATOM 0 HA ALA A 116 -5.226 -11.383 -19.506 1.00 15.44 H new ATOM 0 HB1 ALA A 116 -6.767 -13.030 -18.441 1.00 62.41 H new ATOM 0 HB2 ALA A 116 -6.910 -13.043 -20.215 1.00 62.41 H new ATOM 0 HB3 ALA A 116 -6.005 -14.332 -19.385 1.00 62.41 H new ATOM 1890 N LYS A 117 -3.105 -13.558 -18.372 1.00 11.32 N ATOM 1891 CA LYS A 117 -2.210 -13.889 -17.256 1.00 54.24 C ATOM 1892 C LYS A 117 -1.337 -12.691 -16.854 1.00 41.03 C ATOM 1893 O LYS A 117 -0.886 -12.588 -15.715 1.00 32.20 O ATOM 1894 CB LYS A 117 -1.345 -15.099 -17.630 1.00 24.03 C ATOM 1895 CG LYS A 117 -2.178 -16.330 -17.977 1.00 5.10 C ATOM 1896 CD LYS A 117 -3.013 -16.802 -16.782 1.00 52.13 C ATOM 1897 CE LYS A 117 -4.402 -17.267 -17.195 1.00 1.01 C ATOM 1898 NZ LYS A 117 -4.360 -18.388 -18.169 1.00 42.12 N ATOM 0 H LYS A 117 -2.903 -14.062 -19.235 1.00 11.32 H new ATOM 0 HA LYS A 117 -2.821 -14.142 -16.389 1.00 54.24 H new ATOM 0 HB2 LYS A 117 -0.713 -14.841 -18.480 1.00 24.03 H new ATOM 0 HB3 LYS A 117 -0.680 -15.337 -16.799 1.00 24.03 H new ATOM 0 HG2 LYS A 117 -2.837 -16.100 -18.814 1.00 5.10 H new ATOM 0 HG3 LYS A 117 -1.520 -17.136 -18.302 1.00 5.10 H new ATOM 0 HD2 LYS A 117 -2.494 -17.618 -16.279 1.00 52.13 H new ATOM 0 HD3 LYS A 117 -3.104 -15.989 -16.061 1.00 52.13 H new ATOM 0 HE2 LYS A 117 -4.955 -17.580 -16.309 1.00 1.01 H new ATOM 0 HE3 LYS A 117 -4.947 -16.430 -17.632 1.00 1.01 H new ATOM 0 HZ1 LYS A 117 -5.310 -18.801 -18.264 1.00 42.12 H new ATOM 0 HZ2 LYS A 117 -4.043 -18.033 -19.094 1.00 42.12 H new ATOM 0 HZ3 LYS A 117 -3.698 -19.116 -17.832 1.00 42.12 H new ATOM 1912 N ALA A 118 -1.104 -11.786 -17.796 1.00 73.41 N ATOM 1913 CA ALA A 118 -0.396 -10.536 -17.511 1.00 14.40 C ATOM 1914 C ALA A 118 -1.363 -9.346 -17.516 1.00 23.55 C ATOM 1915 O ALA A 118 -1.380 -8.538 -16.588 1.00 2.43 O ATOM 1916 CB ALA A 118 0.720 -10.321 -18.522 1.00 74.52 C ATOM 0 H ALA A 118 -1.394 -11.891 -18.768 1.00 73.41 H new ATOM 0 HA ALA A 118 0.043 -10.610 -16.516 1.00 14.40 H new ATOM 0 HB1 ALA A 118 1.238 -9.388 -18.299 1.00 74.52 H new ATOM 0 HB2 ALA A 118 1.425 -11.150 -18.467 1.00 74.52 H new ATOM 0 HB3 ALA A 118 0.297 -10.270 -19.525 1.00 74.52 H new ATOM 1922 N ALA A 119 -2.183 -9.265 -18.562 1.00 62.41 N ATOM 1923 CA ALA A 119 -3.165 -8.185 -18.720 1.00 13.30 C ATOM 1924 C ALA A 119 -4.071 -8.021 -17.486 1.00 53.10 C ATOM 1925 O ALA A 119 -4.365 -6.902 -17.069 1.00 11.32 O ATOM 1926 CB ALA A 119 -4.012 -8.433 -19.964 1.00 24.35 C ATOM 0 H ALA A 119 -2.189 -9.943 -19.324 1.00 62.41 H new ATOM 0 HA ALA A 119 -2.607 -7.255 -18.830 1.00 13.30 H new ATOM 0 HB1 ALA A 119 -4.739 -7.628 -20.076 1.00 24.35 H new ATOM 0 HB2 ALA A 119 -3.368 -8.465 -20.843 1.00 24.35 H new ATOM 0 HB3 ALA A 119 -4.536 -9.384 -19.864 1.00 24.35 H new ATOM 1932 N GLU A 120 -4.518 -9.135 -16.908 1.00 73.21 N ATOM 1933 CA GLU A 120 -5.374 -9.094 -15.715 1.00 41.14 C ATOM 1934 C GLU A 120 -4.530 -9.070 -14.427 1.00 22.51 C ATOM 1935 O GLU A 120 -4.539 -8.088 -13.687 1.00 73.43 O ATOM 1936 CB GLU A 120 -6.335 -10.299 -15.701 1.00 62.42 C ATOM 1937 CG GLU A 120 -7.184 -10.446 -16.966 1.00 41.35 C ATOM 1938 CD GLU A 120 -8.173 -9.304 -17.174 1.00 3.13 C ATOM 1939 OE1 GLU A 120 -7.756 -8.222 -17.645 1.00 44.21 O ATOM 1940 OE2 GLU A 120 -9.378 -9.488 -16.888 1.00 64.31 O ATOM 0 H GLU A 120 -4.305 -10.075 -17.242 1.00 73.21 H new ATOM 0 HA GLU A 120 -5.960 -8.176 -15.753 1.00 41.14 H new ATOM 0 HB2 GLU A 120 -5.754 -11.210 -15.561 1.00 62.42 H new ATOM 0 HB3 GLU A 120 -6.999 -10.209 -14.841 1.00 62.42 H new ATOM 0 HG2 GLU A 120 -6.524 -10.506 -17.831 1.00 41.35 H new ATOM 0 HG3 GLU A 120 -7.733 -11.387 -16.918 1.00 41.35 H new ATOM 1947 N GLU A 121 -3.782 -10.149 -14.185 1.00 50.40 N ATOM 1948 CA GLU A 121 -2.988 -10.298 -12.952 1.00 64.43 C ATOM 1949 C GLU A 121 -2.101 -9.072 -12.656 1.00 24.22 C ATOM 1950 O GLU A 121 -2.283 -8.399 -11.639 1.00 62.32 O ATOM 1951 CB GLU A 121 -2.114 -11.559 -13.029 1.00 73.01 C ATOM 1952 CG GLU A 121 -2.901 -12.868 -13.014 1.00 33.34 C ATOM 1953 CD GLU A 121 -2.010 -14.102 -13.107 1.00 51.03 C ATOM 1954 OE1 GLU A 121 -0.935 -14.119 -12.470 1.00 51.34 O ATOM 1955 OE2 GLU A 121 -2.393 -15.070 -13.798 1.00 24.41 O ATOM 0 H GLU A 121 -3.706 -10.938 -14.827 1.00 50.40 H new ATOM 0 HA GLU A 121 -3.702 -10.387 -12.133 1.00 64.43 H new ATOM 0 HB2 GLU A 121 -1.516 -11.518 -13.939 1.00 73.01 H new ATOM 0 HB3 GLU A 121 -1.418 -11.557 -12.190 1.00 73.01 H new ATOM 0 HG2 GLU A 121 -3.490 -12.921 -12.098 1.00 33.34 H new ATOM 0 HG3 GLU A 121 -3.605 -12.872 -13.846 1.00 33.34 H new ATOM 1962 N GLU A 122 -1.153 -8.787 -13.553 1.00 70.34 N ATOM 1963 CA GLU A 122 -0.157 -7.719 -13.344 1.00 54.32 C ATOM 1964 C GLU A 122 -0.825 -6.384 -12.957 1.00 24.43 C ATOM 1965 O GLU A 122 -0.404 -5.717 -12.007 1.00 21.31 O ATOM 1966 CB GLU A 122 0.696 -7.558 -14.622 1.00 31.33 C ATOM 1967 CG GLU A 122 1.995 -6.758 -14.451 1.00 52.24 C ATOM 1968 CD GLU A 122 1.800 -5.247 -14.464 1.00 72.22 C ATOM 1969 OE1 GLU A 122 1.497 -4.687 -15.543 1.00 45.42 O ATOM 1970 OE2 GLU A 122 1.991 -4.605 -13.410 1.00 60.42 O ATOM 0 H GLU A 122 -1.050 -9.282 -14.439 1.00 70.34 H new ATOM 0 HA GLU A 122 0.487 -8.004 -12.512 1.00 54.32 H new ATOM 0 HB2 GLU A 122 0.947 -8.550 -14.998 1.00 31.33 H new ATOM 0 HB3 GLU A 122 0.088 -7.072 -15.385 1.00 31.33 H new ATOM 0 HG2 GLU A 122 2.465 -7.045 -13.510 1.00 52.24 H new ATOM 0 HG3 GLU A 122 2.686 -7.032 -15.249 1.00 52.24 H new ATOM 1977 N MET A 123 -1.887 -6.020 -13.674 1.00 15.10 N ATOM 1978 CA MET A 123 -2.583 -4.753 -13.434 1.00 44.53 C ATOM 1979 C MET A 123 -3.335 -4.755 -12.089 1.00 60.22 C ATOM 1980 O MET A 123 -3.353 -3.748 -11.378 1.00 4.23 O ATOM 1981 CB MET A 123 -3.545 -4.453 -14.590 1.00 20.52 C ATOM 1982 CG MET A 123 -2.853 -4.417 -15.948 1.00 31.32 C ATOM 1983 SD MET A 123 -3.964 -3.951 -17.291 1.00 30.33 S ATOM 1984 CE MET A 123 -2.876 -4.145 -18.706 1.00 25.11 C ATOM 0 H MET A 123 -2.285 -6.583 -14.426 1.00 15.10 H new ATOM 0 HA MET A 123 -1.831 -3.966 -13.381 1.00 44.53 H new ATOM 0 HB2 MET A 123 -4.329 -5.210 -14.608 1.00 20.52 H new ATOM 0 HB3 MET A 123 -4.031 -3.494 -14.411 1.00 20.52 H new ATOM 0 HG2 MET A 123 -2.023 -3.711 -15.909 1.00 31.32 H new ATOM 0 HG3 MET A 123 -2.427 -5.398 -16.159 1.00 31.32 H new ATOM 0 HE1 MET A 123 -3.470 -4.352 -19.596 1.00 25.11 H new ATOM 0 HE2 MET A 123 -2.306 -3.228 -18.855 1.00 25.11 H new ATOM 0 HE3 MET A 123 -2.190 -4.973 -18.527 1.00 25.11 H new ATOM 1994 N LEU A 124 -3.946 -5.885 -11.736 1.00 61.33 N ATOM 1995 CA LEU A 124 -4.636 -6.007 -10.444 1.00 12.33 C ATOM 1996 C LEU A 124 -3.643 -5.972 -9.264 1.00 65.22 C ATOM 1997 O LEU A 124 -3.967 -5.461 -8.187 1.00 41.34 O ATOM 1998 CB LEU A 124 -5.501 -7.283 -10.397 1.00 74.45 C ATOM 1999 CG LEU A 124 -6.931 -7.141 -10.964 1.00 12.24 C ATOM 2000 CD1 LEU A 124 -7.737 -6.134 -10.146 1.00 63.20 C ATOM 2001 CD2 LEU A 124 -6.906 -6.737 -12.438 1.00 20.43 C ATOM 0 H LEU A 124 -3.980 -6.723 -12.316 1.00 61.33 H new ATOM 0 HA LEU A 124 -5.296 -5.145 -10.344 1.00 12.33 H new ATOM 0 HB2 LEU A 124 -4.987 -8.070 -10.949 1.00 74.45 H new ATOM 0 HB3 LEU A 124 -5.571 -7.615 -9.361 1.00 74.45 H new ATOM 0 HG LEU A 124 -7.416 -8.115 -10.892 1.00 12.24 H new ATOM 0 HD11 LEU A 124 -8.741 -6.048 -10.561 1.00 63.20 H new ATOM 0 HD12 LEU A 124 -7.800 -6.473 -9.112 1.00 63.20 H new ATOM 0 HD13 LEU A 124 -7.246 -5.161 -10.180 1.00 63.20 H new ATOM 0 HD21 LEU A 124 -7.927 -6.645 -12.808 1.00 20.43 H new ATOM 0 HD22 LEU A 124 -6.394 -5.780 -12.544 1.00 20.43 H new ATOM 0 HD23 LEU A 124 -6.378 -7.497 -13.015 1.00 20.43 H new ATOM 2013 N TYR A 125 -2.433 -6.506 -9.468 1.00 51.35 N ATOM 2014 CA TYR A 125 -1.373 -6.428 -8.450 1.00 43.13 C ATOM 2015 C TYR A 125 -1.018 -4.967 -8.125 1.00 14.22 C ATOM 2016 O TYR A 125 -0.927 -4.582 -6.958 1.00 32.22 O ATOM 2017 CB TYR A 125 -0.106 -7.176 -8.905 1.00 73.12 C ATOM 2018 CG TYR A 125 -0.204 -8.692 -8.821 1.00 51.23 C ATOM 2019 CD1 TYR A 125 -0.392 -9.330 -7.598 1.00 62.13 C ATOM 2020 CD2 TYR A 125 -0.076 -9.484 -9.956 1.00 31.31 C ATOM 2021 CE1 TYR A 125 -0.463 -10.708 -7.513 1.00 5.52 C ATOM 2022 CE2 TYR A 125 -0.151 -10.861 -9.879 1.00 1.53 C ATOM 2023 CZ TYR A 125 -0.337 -11.469 -8.654 1.00 10.53 C ATOM 2024 OH TYR A 125 -0.404 -12.844 -8.574 1.00 20.11 O ATOM 0 H TYR A 125 -2.162 -6.994 -10.322 1.00 51.35 H new ATOM 0 HA TYR A 125 -1.760 -6.905 -7.550 1.00 43.13 H new ATOM 0 HB2 TYR A 125 0.116 -6.895 -9.935 1.00 73.12 H new ATOM 0 HB3 TYR A 125 0.735 -6.845 -8.296 1.00 73.12 H new ATOM 0 HD1 TYR A 125 -0.484 -8.738 -6.700 1.00 62.13 H new ATOM 0 HD2 TYR A 125 0.085 -9.014 -10.915 1.00 31.31 H new ATOM 0 HE1 TYR A 125 -0.617 -11.185 -6.557 1.00 5.52 H new ATOM 0 HE2 TYR A 125 -0.064 -11.460 -10.774 1.00 1.53 H new ATOM 0 HH TYR A 125 -0.298 -13.229 -9.469 1.00 20.11 H new ATOM 2034 N LYS A 126 -0.822 -4.155 -9.162 1.00 22.54 N ATOM 2035 CA LYS A 126 -0.481 -2.739 -8.976 1.00 41.42 C ATOM 2036 C LYS A 126 -1.712 -1.895 -8.595 1.00 53.04 C ATOM 2037 O LYS A 126 -1.576 -0.788 -8.064 1.00 71.42 O ATOM 2038 CB LYS A 126 0.200 -2.178 -10.233 1.00 33.13 C ATOM 2039 CG LYS A 126 -0.619 -2.317 -11.513 1.00 51.04 C ATOM 2040 CD LYS A 126 0.177 -1.885 -12.744 1.00 21.40 C ATOM 2041 CE LYS A 126 0.489 -0.392 -12.733 1.00 41.10 C ATOM 2042 NZ LYS A 126 -0.731 0.435 -12.931 1.00 34.03 N ATOM 0 H LYS A 126 -0.892 -4.448 -10.137 1.00 22.54 H new ATOM 0 HA LYS A 126 0.220 -2.678 -8.144 1.00 41.42 H new ATOM 0 HB2 LYS A 126 0.421 -1.123 -10.071 1.00 33.13 H new ATOM 0 HB3 LYS A 126 1.155 -2.686 -10.371 1.00 33.13 H new ATOM 0 HG2 LYS A 126 -0.937 -3.353 -11.631 1.00 51.04 H new ATOM 0 HG3 LYS A 126 -1.523 -1.713 -11.434 1.00 51.04 H new ATOM 0 HD2 LYS A 126 1.109 -2.449 -12.788 1.00 21.40 H new ATOM 0 HD3 LYS A 126 -0.387 -2.130 -13.644 1.00 21.40 H new ATOM 0 HE2 LYS A 126 0.957 -0.127 -11.785 1.00 41.10 H new ATOM 0 HE3 LYS A 126 1.211 -0.167 -13.518 1.00 41.10 H new ATOM 0 HZ1 LYS A 126 -0.460 1.434 -13.035 1.00 34.03 H new ATOM 0 HZ2 LYS A 126 -1.229 0.120 -13.788 1.00 34.03 H new ATOM 0 HZ3 LYS A 126 -1.358 0.331 -12.108 1.00 34.03 H new ATOM 2056 N ASP A 127 -2.911 -2.418 -8.855 1.00 75.34 N ATOM 2057 CA ASP A 127 -4.146 -1.734 -8.462 1.00 64.14 C ATOM 2058 C ASP A 127 -4.291 -1.677 -6.932 1.00 3.40 C ATOM 2059 O ASP A 127 -4.548 -0.611 -6.367 1.00 13.04 O ATOM 2060 CB ASP A 127 -5.370 -2.417 -9.077 1.00 12.53 C ATOM 2061 CG ASP A 127 -6.654 -1.689 -8.724 1.00 22.14 C ATOM 2062 OD1 ASP A 127 -6.955 -0.659 -9.368 1.00 70.10 O ATOM 2063 OD2 ASP A 127 -7.351 -2.117 -7.785 1.00 1.15 O ATOM 0 H ASP A 127 -3.054 -3.308 -9.333 1.00 75.34 H new ATOM 0 HA ASP A 127 -4.086 -0.714 -8.840 1.00 64.14 H new ATOM 0 HB2 ASP A 127 -5.259 -2.456 -10.161 1.00 12.53 H new ATOM 0 HB3 ASP A 127 -5.427 -3.447 -8.726 1.00 12.53 H new ATOM 2068 N MET A 128 -4.129 -2.823 -6.261 1.00 14.20 N ATOM 2069 CA MET A 128 -4.185 -2.862 -4.793 1.00 22.31 C ATOM 2070 C MET A 128 -3.031 -2.053 -4.177 1.00 42.11 C ATOM 2071 O MET A 128 -3.180 -1.448 -3.115 1.00 72.10 O ATOM 2072 CB MET A 128 -4.168 -4.312 -4.282 1.00 42.41 C ATOM 2073 CG MET A 128 -2.933 -5.108 -4.677 1.00 30.35 C ATOM 2074 SD MET A 128 -3.039 -6.835 -4.172 1.00 70.23 S ATOM 2075 CE MET A 128 -1.426 -7.439 -4.662 1.00 65.04 C ATOM 0 H MET A 128 -3.960 -3.726 -6.703 1.00 14.20 H new ATOM 0 HA MET A 128 -5.123 -2.404 -4.481 1.00 22.31 H new ATOM 0 HB2 MET A 128 -4.245 -4.301 -3.195 1.00 42.41 H new ATOM 0 HB3 MET A 128 -5.052 -4.827 -4.659 1.00 42.41 H new ATOM 0 HG2 MET A 128 -2.800 -5.056 -5.758 1.00 30.35 H new ATOM 0 HG3 MET A 128 -2.051 -4.654 -4.225 1.00 30.35 H new ATOM 0 HE1 MET A 128 -1.513 -8.470 -5.006 1.00 65.04 H new ATOM 0 HE2 MET A 128 -1.035 -6.819 -5.468 1.00 65.04 H new ATOM 0 HE3 MET A 128 -0.747 -7.397 -3.810 1.00 65.04 H new ATOM 2085 N GLN A 129 -1.885 -2.042 -4.860 1.00 72.05 N ATOM 2086 CA GLN A 129 -0.758 -1.180 -4.480 1.00 51.21 C ATOM 2087 C GLN A 129 -1.198 0.295 -4.454 1.00 2.20 C ATOM 2088 O GLN A 129 -0.829 1.054 -3.552 1.00 0.20 O ATOM 2089 CB GLN A 129 0.406 -1.378 -5.468 1.00 55.01 C ATOM 2090 CG GLN A 129 1.627 -0.502 -5.202 1.00 71.13 C ATOM 2091 CD GLN A 129 2.269 -0.765 -3.852 1.00 5.13 C ATOM 2092 OE1 GLN A 129 3.148 -1.608 -3.718 1.00 21.53 O ATOM 2093 NE2 GLN A 129 1.835 -0.046 -2.838 1.00 34.20 N ATOM 0 H GLN A 129 -1.710 -2.621 -5.681 1.00 72.05 H new ATOM 0 HA GLN A 129 -0.422 -1.455 -3.480 1.00 51.21 H new ATOM 0 HB2 GLN A 129 0.713 -2.423 -5.441 1.00 55.01 H new ATOM 0 HB3 GLN A 129 0.046 -1.178 -6.477 1.00 55.01 H new ATOM 0 HG2 GLN A 129 2.365 -0.670 -5.987 1.00 71.13 H new ATOM 0 HG3 GLN A 129 1.334 0.546 -5.260 1.00 71.13 H new ATOM 0 HE21 GLN A 129 1.102 0.648 -2.982 1.00 34.20 H new ATOM 0 HE22 GLN A 129 2.232 -0.183 -1.909 1.00 34.20 H new ATOM 2102 N LYS A 130 -1.999 0.676 -5.450 1.00 54.45 N ATOM 2103 CA LYS A 130 -2.589 2.018 -5.529 1.00 12.53 C ATOM 2104 C LYS A 130 -3.421 2.343 -4.275 1.00 50.23 C ATOM 2105 O LYS A 130 -3.115 3.277 -3.536 1.00 44.22 O ATOM 2106 CB LYS A 130 -3.491 2.124 -6.772 1.00 34.43 C ATOM 2107 CG LYS A 130 -4.202 3.469 -6.917 1.00 22.33 C ATOM 2108 CD LYS A 130 -5.344 3.421 -7.940 1.00 10.54 C ATOM 2109 CE LYS A 130 -6.587 2.696 -7.410 1.00 1.14 C ATOM 2110 NZ LYS A 130 -6.421 1.214 -7.333 1.00 72.42 N ATOM 0 H LYS A 130 -2.258 0.066 -6.225 1.00 54.45 H new ATOM 0 HA LYS A 130 -1.770 2.735 -5.598 1.00 12.53 H new ATOM 0 HB2 LYS A 130 -2.887 1.947 -7.662 1.00 34.43 H new ATOM 0 HB3 LYS A 130 -4.239 1.332 -6.733 1.00 34.43 H new ATOM 0 HG2 LYS A 130 -4.598 3.773 -5.948 1.00 22.33 H new ATOM 0 HG3 LYS A 130 -3.480 4.228 -7.218 1.00 22.33 H new ATOM 0 HD2 LYS A 130 -5.615 4.438 -8.223 1.00 10.54 H new ATOM 0 HD3 LYS A 130 -4.995 2.921 -8.844 1.00 10.54 H new ATOM 0 HE2 LYS A 130 -6.827 3.079 -6.418 1.00 1.14 H new ATOM 0 HE3 LYS A 130 -7.435 2.926 -8.055 1.00 1.14 H new ATOM 0 HZ1 LYS A 130 -7.306 0.750 -7.621 1.00 72.42 H new ATOM 0 HZ2 LYS A 130 -5.652 0.917 -7.967 1.00 72.42 H new ATOM 0 HZ3 LYS A 130 -6.189 0.941 -6.357 1.00 72.42 H new ATOM 2124 N ASP A 131 -4.471 1.557 -4.039 1.00 12.13 N ATOM 2125 CA ASP A 131 -5.396 1.817 -2.932 1.00 43.11 C ATOM 2126 C ASP A 131 -4.687 1.779 -1.568 1.00 52.41 C ATOM 2127 O ASP A 131 -4.955 2.610 -0.699 1.00 14.11 O ATOM 2128 CB ASP A 131 -6.551 0.811 -2.962 1.00 51.31 C ATOM 2129 CG ASP A 131 -7.351 0.899 -4.249 1.00 2.10 C ATOM 2130 OD1 ASP A 131 -8.085 1.890 -4.429 1.00 64.33 O ATOM 2131 OD2 ASP A 131 -7.239 -0.013 -5.093 1.00 70.21 O ATOM 0 H ASP A 131 -4.704 0.736 -4.598 1.00 12.13 H new ATOM 0 HA ASP A 131 -5.792 2.824 -3.064 1.00 43.11 H new ATOM 0 HB2 ASP A 131 -6.155 -0.198 -2.850 1.00 51.31 H new ATOM 0 HB3 ASP A 131 -7.210 0.991 -2.113 1.00 51.31 H new ATOM 2136 N ALA A 132 -3.772 0.826 -1.394 1.00 72.24 N ATOM 2137 CA ALA A 132 -3.012 0.695 -0.145 1.00 3.53 C ATOM 2138 C ALA A 132 -2.287 1.998 0.222 1.00 11.23 C ATOM 2139 O ALA A 132 -2.420 2.504 1.339 1.00 54.40 O ATOM 2140 CB ALA A 132 -2.012 -0.451 -0.257 1.00 33.24 C ATOM 0 H ALA A 132 -3.537 0.131 -2.102 1.00 72.24 H new ATOM 0 HA ALA A 132 -3.722 0.478 0.653 1.00 3.53 H new ATOM 0 HB1 ALA A 132 -1.454 -0.539 0.675 1.00 33.24 H new ATOM 0 HB2 ALA A 132 -2.545 -1.382 -0.450 1.00 33.24 H new ATOM 0 HB3 ALA A 132 -1.321 -0.252 -1.076 1.00 33.24 H new ATOM 2146 N VAL A 133 -1.534 2.547 -0.729 1.00 44.33 N ATOM 2147 CA VAL A 133 -0.775 3.777 -0.487 1.00 0.32 C ATOM 2148 C VAL A 133 -1.704 5.000 -0.339 1.00 52.53 C ATOM 2149 O VAL A 133 -1.369 5.964 0.352 1.00 63.04 O ATOM 2150 CB VAL A 133 0.279 4.025 -1.602 1.00 13.44 C ATOM 2151 CG1 VAL A 133 -0.379 4.302 -2.952 1.00 0.41 C ATOM 2152 CG2 VAL A 133 1.223 5.159 -1.210 1.00 55.14 C ATOM 0 H VAL A 133 -1.432 2.164 -1.669 1.00 44.33 H new ATOM 0 HA VAL A 133 -0.245 3.642 0.456 1.00 0.32 H new ATOM 0 HB VAL A 133 0.865 3.112 -1.710 1.00 13.44 H new ATOM 0 HG11 VAL A 133 0.391 4.470 -3.705 1.00 0.41 H new ATOM 0 HG12 VAL A 133 -0.989 3.446 -3.242 1.00 0.41 H new ATOM 0 HG13 VAL A 133 -1.010 5.188 -2.874 1.00 0.41 H new ATOM 0 HG21 VAL A 133 1.953 5.316 -2.004 1.00 55.14 H new ATOM 0 HG22 VAL A 133 0.650 6.074 -1.058 1.00 55.14 H new ATOM 0 HG23 VAL A 133 1.742 4.898 -0.287 1.00 55.14 H new ATOM 2162 N GLN A 134 -2.882 4.953 -0.974 1.00 70.14 N ATOM 2163 CA GLN A 134 -3.877 6.025 -0.822 1.00 23.32 C ATOM 2164 C GLN A 134 -4.447 6.048 0.606 1.00 73.31 C ATOM 2165 O GLN A 134 -4.746 7.114 1.150 1.00 70.44 O ATOM 2166 CB GLN A 134 -5.018 5.874 -1.841 1.00 21.05 C ATOM 2167 CG GLN A 134 -4.583 5.976 -3.303 1.00 12.33 C ATOM 2168 CD GLN A 134 -3.760 7.222 -3.600 1.00 33.21 C ATOM 2169 OE1 GLN A 134 -2.452 7.096 -3.516 1.00 14.11 O flip ATOM 2170 NE2 GLN A 134 -4.289 8.278 -3.923 1.00 22.23 N flip ATOM 0 H GLN A 134 -3.169 4.194 -1.592 1.00 70.14 H new ATOM 0 HA GLN A 134 -3.369 6.971 -1.011 1.00 23.32 H new ATOM 0 HB2 GLN A 134 -5.501 4.909 -1.686 1.00 21.05 H new ATOM 0 HB3 GLN A 134 -5.767 6.641 -1.644 1.00 21.05 H new ATOM 0 HG2 GLN A 134 -4.000 5.093 -3.564 1.00 12.33 H new ATOM 0 HG3 GLN A 134 -5.468 5.973 -3.939 1.00 12.33 H new ATOM 0 HE21 GLN A 134 -5.305 8.343 -3.979 1.00 22.23 H new ATOM 0 HE22 GLN A 134 -3.713 9.093 -4.136 1.00 22.23 H new ATOM 2179 N GLN A 135 -4.609 4.866 1.205 1.00 3.33 N ATOM 2180 CA GLN A 135 -5.030 4.764 2.609 1.00 4.43 C ATOM 2181 C GLN A 135 -3.996 5.432 3.528 1.00 1.21 C ATOM 2182 O GLN A 135 -4.339 6.253 4.384 1.00 11.11 O ATOM 2183 CB GLN A 135 -5.204 3.291 3.018 1.00 24.22 C ATOM 2184 CG GLN A 135 -6.192 2.499 2.159 1.00 43.21 C ATOM 2185 CD GLN A 135 -7.646 2.906 2.360 1.00 61.44 C ATOM 2186 OE1 GLN A 135 -7.958 4.053 2.668 1.00 44.14 O ATOM 2187 NE2 GLN A 135 -8.551 1.965 2.175 1.00 42.12 N ATOM 0 H GLN A 135 -4.457 3.969 0.745 1.00 3.33 H new ATOM 0 HA GLN A 135 -5.987 5.276 2.712 1.00 4.43 H new ATOM 0 HB2 GLN A 135 -4.232 2.799 2.975 1.00 24.22 H new ATOM 0 HB3 GLN A 135 -5.535 3.253 4.056 1.00 24.22 H new ATOM 0 HG2 GLN A 135 -5.930 2.628 1.109 1.00 43.21 H new ATOM 0 HG3 GLN A 135 -6.087 1.438 2.386 1.00 43.21 H new ATOM 0 HE21 GLN A 135 -8.261 1.021 1.920 1.00 42.12 H new ATOM 0 HE22 GLN A 135 -9.542 2.181 2.287 1.00 42.12 H new ATOM 2196 N ILE A 136 -2.725 5.072 3.329 1.00 3.23 N ATOM 2197 CA ILE A 136 -1.612 5.658 4.087 1.00 74.33 C ATOM 2198 C ILE A 136 -1.582 7.190 3.936 1.00 20.43 C ATOM 2199 O ILE A 136 -1.498 7.918 4.923 1.00 72.12 O ATOM 2200 CB ILE A 136 -0.250 5.073 3.623 1.00 24.11 C ATOM 2201 CG1 ILE A 136 -0.249 3.541 3.750 1.00 11.22 C ATOM 2202 CG2 ILE A 136 0.903 5.677 4.424 1.00 4.44 C ATOM 2203 CD1 ILE A 136 1.026 2.881 3.262 1.00 31.03 C ATOM 0 H ILE A 136 -2.438 4.372 2.644 1.00 3.23 H new ATOM 0 HA ILE A 136 -1.771 5.406 5.135 1.00 74.33 H new ATOM 0 HB ILE A 136 -0.109 5.333 2.574 1.00 24.11 H new ATOM 0 HG12 ILE A 136 -0.407 3.273 4.795 1.00 11.22 H new ATOM 0 HG13 ILE A 136 -1.092 3.140 3.187 1.00 11.22 H new ATOM 0 HG21 ILE A 136 1.846 5.252 4.081 1.00 4.44 H new ATOM 0 HG22 ILE A 136 0.919 6.757 4.281 1.00 4.44 H new ATOM 0 HG23 ILE A 136 0.768 5.453 5.482 1.00 4.44 H new ATOM 0 HD11 ILE A 136 0.947 1.801 3.386 1.00 31.03 H new ATOM 0 HD12 ILE A 136 1.177 3.116 2.208 1.00 31.03 H new ATOM 0 HD13 ILE A 136 1.872 3.251 3.841 1.00 31.03 H new ATOM 2215 N LEU A 137 -1.665 7.660 2.690 1.00 73.44 N ATOM 2216 CA LEU A 137 -1.674 9.100 2.380 1.00 61.52 C ATOM 2217 C LEU A 137 -2.665 9.880 3.265 1.00 5.23 C ATOM 2218 O LEU A 137 -2.315 10.895 3.873 1.00 70.44 O ATOM 2219 CB LEU A 137 -2.041 9.307 0.901 1.00 30.15 C ATOM 2220 CG LEU A 137 -2.208 10.771 0.454 1.00 32.21 C ATOM 2221 CD1 LEU A 137 -0.877 11.515 0.505 1.00 22.32 C ATOM 2222 CD2 LEU A 137 -2.821 10.842 -0.942 1.00 21.32 C ATOM 0 H LEU A 137 -1.728 7.060 1.867 1.00 73.44 H new ATOM 0 HA LEU A 137 -0.674 9.484 2.582 1.00 61.52 H new ATOM 0 HB2 LEU A 137 -1.269 8.844 0.286 1.00 30.15 H new ATOM 0 HB3 LEU A 137 -2.971 8.776 0.699 1.00 30.15 H new ATOM 0 HG LEU A 137 -2.890 11.261 1.149 1.00 32.21 H new ATOM 0 HD11 LEU A 137 -1.024 12.546 0.184 1.00 22.32 H new ATOM 0 HD12 LEU A 137 -0.493 11.503 1.525 1.00 22.32 H new ATOM 0 HD13 LEU A 137 -0.162 11.027 -0.158 1.00 22.32 H new ATOM 0 HD21 LEU A 137 -2.930 11.885 -1.239 1.00 21.32 H new ATOM 0 HD22 LEU A 137 -2.171 10.329 -1.651 1.00 21.32 H new ATOM 0 HD23 LEU A 137 -3.800 10.362 -0.934 1.00 21.32 H new ATOM 2234 N ARG A 138 -3.901 9.396 3.330 1.00 25.14 N ATOM 2235 CA ARG A 138 -4.972 10.097 4.042 1.00 31.31 C ATOM 2236 C ARG A 138 -4.776 10.052 5.567 1.00 25.54 C ATOM 2237 O ARG A 138 -4.940 11.061 6.253 1.00 41.15 O ATOM 2238 CB ARG A 138 -6.327 9.486 3.667 1.00 11.31 C ATOM 2239 CG ARG A 138 -7.529 10.334 4.075 1.00 31.15 C ATOM 2240 CD ARG A 138 -8.847 9.694 3.647 1.00 13.21 C ATOM 2241 NE ARG A 138 -9.981 10.595 3.842 1.00 62.31 N ATOM 2242 CZ ARG A 138 -11.232 10.223 3.810 1.00 44.12 C ATOM 2243 NH1 ARG A 138 -11.554 8.986 3.612 1.00 51.43 N ATOM 2244 NH2 ARG A 138 -12.169 11.097 3.971 1.00 4.12 N ATOM 0 H ARG A 138 -4.190 8.518 2.898 1.00 25.14 H new ATOM 0 HA ARG A 138 -4.943 11.144 3.741 1.00 31.31 H new ATOM 0 HB2 ARG A 138 -6.356 9.329 2.589 1.00 11.31 H new ATOM 0 HB3 ARG A 138 -6.413 8.505 4.135 1.00 11.31 H new ATOM 0 HG2 ARG A 138 -7.526 10.472 5.156 1.00 31.15 H new ATOM 0 HG3 ARG A 138 -7.444 11.324 3.627 1.00 31.15 H new ATOM 0 HD2 ARG A 138 -8.787 9.408 2.597 1.00 13.21 H new ATOM 0 HD3 ARG A 138 -9.008 8.779 4.218 1.00 13.21 H new ATOM 0 HE ARG A 138 -9.782 11.580 4.015 1.00 62.31 H new ATOM 0 HH11 ARG A 138 -10.826 8.285 3.478 1.00 51.43 H new ATOM 0 HH12 ARG A 138 -12.536 8.712 3.590 1.00 51.43 H new ATOM 0 HH21 ARG A 138 -11.931 12.077 4.123 1.00 4.12 H new ATOM 0 HH22 ARG A 138 -13.147 10.807 3.946 1.00 4.12 H new ATOM 2258 N GLN A 139 -4.410 8.884 6.090 1.00 10.24 N ATOM 2259 CA GLN A 139 -4.273 8.695 7.542 1.00 3.24 C ATOM 2260 C GLN A 139 -3.002 9.355 8.109 1.00 14.45 C ATOM 2261 O GLN A 139 -3.030 9.912 9.204 1.00 71.43 O ATOM 2262 CB GLN A 139 -4.301 7.198 7.883 1.00 45.11 C ATOM 2263 CG GLN A 139 -5.637 6.527 7.576 1.00 24.53 C ATOM 2264 CD GLN A 139 -6.778 7.054 8.440 1.00 2.21 C ATOM 2265 OE1 GLN A 139 -6.581 7.443 9.586 1.00 11.21 O ATOM 2266 NE2 GLN A 139 -7.981 7.070 7.897 1.00 2.32 N ATOM 0 H GLN A 139 -4.202 8.053 5.536 1.00 10.24 H new ATOM 0 HA GLN A 139 -5.121 9.191 8.014 1.00 3.24 H new ATOM 0 HB2 GLN A 139 -3.513 6.692 7.325 1.00 45.11 H new ATOM 0 HB3 GLN A 139 -4.075 7.071 8.942 1.00 45.11 H new ATOM 0 HG2 GLN A 139 -5.882 6.681 6.525 1.00 24.53 H new ATOM 0 HG3 GLN A 139 -5.541 5.452 7.726 1.00 24.53 H new ATOM 0 HE21 GLN A 139 -8.113 6.740 6.941 1.00 2.32 H new ATOM 0 HE22 GLN A 139 -8.778 7.413 8.433 1.00 2.32 H new ATOM 2275 N VAL A 140 -1.896 9.299 7.365 1.00 64.13 N ATOM 2276 CA VAL A 140 -0.628 9.902 7.820 1.00 61.42 C ATOM 2277 C VAL A 140 -0.722 11.435 7.908 1.00 33.44 C ATOM 2278 O VAL A 140 0.024 12.077 8.648 1.00 73.24 O ATOM 2279 CB VAL A 140 0.558 9.497 6.900 1.00 22.54 C ATOM 2280 CG1 VAL A 140 1.841 10.247 7.267 1.00 75.13 C ATOM 2281 CG2 VAL A 140 0.792 7.991 6.967 1.00 14.44 C ATOM 0 H VAL A 140 -1.845 8.848 6.452 1.00 64.13 H new ATOM 0 HA VAL A 140 -0.441 9.513 8.821 1.00 61.42 H new ATOM 0 HB VAL A 140 0.292 9.773 5.880 1.00 22.54 H new ATOM 0 HG11 VAL A 140 2.647 9.937 6.602 1.00 75.13 H new ATOM 0 HG12 VAL A 140 1.678 11.320 7.163 1.00 75.13 H new ATOM 0 HG13 VAL A 140 2.113 10.019 8.298 1.00 75.13 H new ATOM 0 HG21 VAL A 140 1.625 7.723 6.318 1.00 14.44 H new ATOM 0 HG22 VAL A 140 1.024 7.704 7.993 1.00 14.44 H new ATOM 0 HG23 VAL A 140 -0.106 7.468 6.639 1.00 14.44 H new ATOM 2291 N SER A 141 -1.646 12.014 7.154 1.00 3.41 N ATOM 2292 CA SER A 141 -1.867 13.466 7.175 1.00 42.14 C ATOM 2293 C SER A 141 -2.985 13.851 8.159 1.00 42.13 C ATOM 2294 O SER A 141 -2.807 14.727 9.008 1.00 55.51 O ATOM 2295 CB SER A 141 -2.209 13.969 5.763 1.00 51.14 C ATOM 2296 OG SER A 141 -3.296 13.247 5.201 1.00 42.44 O ATOM 0 H SER A 141 -2.259 11.506 6.517 1.00 3.41 H new ATOM 0 HA SER A 141 -0.946 13.940 7.513 1.00 42.14 H new ATOM 0 HB2 SER A 141 -2.458 15.029 5.804 1.00 51.14 H new ATOM 0 HB3 SER A 141 -1.335 13.871 5.119 1.00 51.14 H new ATOM 0 HG SER A 141 -2.956 12.455 4.734 1.00 42.44 H new ATOM 2302 N ALA A 142 -4.128 13.174 8.059 1.00 21.44 N ATOM 2303 CA ALA A 142 -5.313 13.521 8.857 1.00 72.25 C ATOM 2304 C ALA A 142 -5.370 12.798 10.220 1.00 40.02 C ATOM 2305 O ALA A 142 -6.390 12.873 10.911 1.00 73.15 O ATOM 2306 CB ALA A 142 -6.577 13.224 8.055 1.00 4.41 C ATOM 0 H ALA A 142 -4.263 12.380 7.433 1.00 21.44 H new ATOM 0 HA ALA A 142 -5.243 14.586 9.077 1.00 72.25 H new ATOM 0 HB1 ALA A 142 -7.454 13.482 8.649 1.00 4.41 H new ATOM 0 HB2 ALA A 142 -6.573 13.814 7.138 1.00 4.41 H new ATOM 0 HB3 ALA A 142 -6.608 12.164 7.804 1.00 4.41 H new ATOM 2312 N PHE A 143 -4.289 12.113 10.620 1.00 11.02 N ATOM 2313 CA PHE A 143 -4.270 11.396 11.912 1.00 13.21 C ATOM 2314 C PHE A 143 -4.616 12.332 13.081 1.00 63.35 C ATOM 2315 O PHE A 143 -5.304 11.935 14.025 1.00 3.13 O ATOM 2316 CB PHE A 143 -2.904 10.728 12.165 1.00 12.34 C ATOM 2317 CG PHE A 143 -1.776 11.694 12.449 1.00 71.02 C ATOM 2318 CD1 PHE A 143 -1.073 12.282 11.412 1.00 71.42 C ATOM 2319 CD2 PHE A 143 -1.421 12.010 13.756 1.00 14.22 C ATOM 2320 CE1 PHE A 143 -0.044 13.167 11.666 1.00 30.51 C ATOM 2321 CE2 PHE A 143 -0.392 12.896 14.015 1.00 50.45 C ATOM 2322 CZ PHE A 143 0.298 13.474 12.968 1.00 30.41 C ATOM 0 H PHE A 143 -3.427 12.038 10.080 1.00 11.02 H new ATOM 0 HA PHE A 143 -5.032 10.619 11.853 1.00 13.21 H new ATOM 0 HB2 PHE A 143 -2.999 10.043 13.007 1.00 12.34 H new ATOM 0 HB3 PHE A 143 -2.641 10.128 11.294 1.00 12.34 H new ATOM 0 HD1 PHE A 143 -1.333 12.046 10.391 1.00 71.42 H new ATOM 0 HD2 PHE A 143 -1.956 11.558 14.578 1.00 14.22 H new ATOM 0 HE1 PHE A 143 0.494 13.619 10.846 1.00 30.51 H new ATOM 0 HE2 PHE A 143 -0.128 13.136 15.035 1.00 50.45 H new ATOM 0 HZ PHE A 143 1.104 14.165 13.167 1.00 30.41 H new ATOM 2332 N THR A 144 -4.145 13.580 12.999 1.00 23.13 N ATOM 2333 CA THR A 144 -4.415 14.594 14.030 1.00 73.41 C ATOM 2334 C THR A 144 -5.919 14.888 14.166 1.00 12.41 C ATOM 2335 O THR A 144 -6.398 15.257 15.238 1.00 41.40 O ATOM 2336 CB THR A 144 -3.657 15.915 13.742 1.00 1.13 C ATOM 2337 OG1 THR A 144 -3.980 16.906 14.726 1.00 71.12 O ATOM 2338 CG2 THR A 144 -3.986 16.457 12.352 1.00 23.54 C ATOM 0 H THR A 144 -3.571 13.916 12.226 1.00 23.13 H new ATOM 0 HA THR A 144 -4.056 14.177 14.971 1.00 73.41 H new ATOM 0 HB THR A 144 -2.591 15.693 13.785 1.00 1.13 H new ATOM 0 HG1 THR A 144 -3.492 17.733 14.530 1.00 71.12 H new ATOM 0 HG21 THR A 144 -3.437 17.384 12.184 1.00 23.54 H new ATOM 0 HG22 THR A 144 -3.699 15.724 11.598 1.00 23.54 H new ATOM 0 HG23 THR A 144 -5.056 16.651 12.281 1.00 23.54 H new ATOM 2346 N SER A 145 -6.664 14.696 13.078 1.00 14.33 N ATOM 2347 CA SER A 145 -8.124 14.891 13.084 1.00 20.44 C ATOM 2348 C SER A 145 -8.843 13.606 13.535 1.00 62.43 C ATOM 2349 O SER A 145 -9.861 13.216 12.961 1.00 63.42 O ATOM 2350 CB SER A 145 -8.610 15.314 11.684 1.00 2.13 C ATOM 2351 OG SER A 145 -10.013 15.556 11.662 1.00 4.40 O ATOM 0 H SER A 145 -6.285 14.405 12.177 1.00 14.33 H new ATOM 0 HA SER A 145 -8.363 15.683 13.793 1.00 20.44 H new ATOM 0 HB2 SER A 145 -8.081 16.215 11.372 1.00 2.13 H new ATOM 0 HB3 SER A 145 -8.364 14.534 10.963 1.00 2.13 H new ATOM 0 HG SER A 145 -10.481 14.805 12.082 1.00 4.40 H new ATOM 2357 N ALA A 146 -8.304 12.967 14.579 1.00 40.34 N ATOM 2358 CA ALA A 146 -8.858 11.719 15.128 1.00 74.13 C ATOM 2359 C ALA A 146 -8.781 10.553 14.125 1.00 32.41 C ATOM 2360 O ALA A 146 -9.696 9.736 14.033 1.00 51.41 O ATOM 2361 CB ALA A 146 -10.295 11.935 15.600 1.00 23.42 C ATOM 0 H ALA A 146 -7.472 13.298 15.068 1.00 40.34 H new ATOM 0 HA ALA A 146 -8.243 11.441 15.984 1.00 74.13 H new ATOM 0 HB1 ALA A 146 -10.690 11.002 16.003 1.00 23.42 H new ATOM 0 HB2 ALA A 146 -10.312 12.701 16.375 1.00 23.42 H new ATOM 0 HB3 ALA A 146 -10.910 12.256 14.759 1.00 23.42 H new ATOM 2367 N GLY A 147 -7.679 10.471 13.384 1.00 44.42 N ATOM 2368 CA GLY A 147 -7.475 9.356 12.459 1.00 52.20 C ATOM 2369 C GLY A 147 -6.985 8.085 13.157 1.00 74.14 C ATOM 2370 O GLY A 147 -7.183 6.969 12.663 1.00 12.40 O ATOM 0 H GLY A 147 -6.921 11.153 13.404 1.00 44.42 H new ATOM 0 HA2 GLY A 147 -8.411 9.143 11.943 1.00 52.20 H new ATOM 0 HA3 GLY A 147 -6.751 9.649 11.699 1.00 52.20 H new ATOM 2374 N LEU A 148 -6.364 8.257 14.325 1.00 72.32 N ATOM 2375 CA LEU A 148 -5.807 7.132 15.099 1.00 54.23 C ATOM 2376 C LEU A 148 -6.899 6.260 15.754 1.00 65.14 C ATOM 2377 O LEU A 148 -6.590 5.338 16.509 1.00 41.54 O ATOM 2378 CB LEU A 148 -4.831 7.642 16.178 1.00 60.02 C ATOM 2379 CG LEU A 148 -5.461 8.324 17.413 1.00 35.02 C ATOM 2380 CD1 LEU A 148 -4.393 8.615 18.462 1.00 72.12 C ATOM 2381 CD2 LEU A 148 -6.194 9.612 17.036 1.00 71.41 C ATOM 0 H LEU A 148 -6.231 9.168 14.763 1.00 72.32 H new ATOM 0 HA LEU A 148 -5.270 6.505 14.387 1.00 54.23 H new ATOM 0 HB2 LEU A 148 -4.233 6.798 16.523 1.00 60.02 H new ATOM 0 HB3 LEU A 148 -4.146 8.349 15.711 1.00 60.02 H new ATOM 0 HG LEU A 148 -6.194 7.634 17.831 1.00 35.02 H new ATOM 0 HD11 LEU A 148 -4.853 9.095 19.326 1.00 72.12 H new ATOM 0 HD12 LEU A 148 -3.924 7.681 18.773 1.00 72.12 H new ATOM 0 HD13 LEU A 148 -3.638 9.277 18.038 1.00 72.12 H new ATOM 0 HD21 LEU A 148 -6.623 10.062 17.931 1.00 71.41 H new ATOM 0 HD22 LEU A 148 -5.492 10.310 16.580 1.00 71.41 H new ATOM 0 HD23 LEU A 148 -6.990 9.383 16.327 1.00 71.41 H new ATOM 2393 N GLU A 149 -8.169 6.549 15.455 1.00 51.10 N ATOM 2394 CA GLU A 149 -9.299 5.746 15.955 1.00 54.12 C ATOM 2395 C GLU A 149 -9.125 4.253 15.635 1.00 32.44 C ATOM 2396 O GLU A 149 -9.557 3.384 16.397 1.00 4.23 O ATOM 2397 CB GLU A 149 -10.607 6.252 15.331 1.00 33.33 C ATOM 2398 CG GLU A 149 -10.983 7.676 15.729 1.00 31.43 C ATOM 2399 CD GLU A 149 -11.516 7.777 17.149 1.00 41.42 C ATOM 2400 OE1 GLU A 149 -10.704 7.868 18.094 1.00 13.13 O ATOM 2401 OE2 GLU A 149 -12.756 7.763 17.324 1.00 1.32 O ATOM 0 H GLU A 149 -8.445 7.335 14.867 1.00 51.10 H new ATOM 0 HA GLU A 149 -9.331 5.856 17.039 1.00 54.12 H new ATOM 0 HB2 GLU A 149 -10.521 6.201 14.246 1.00 33.33 H new ATOM 0 HB3 GLU A 149 -11.416 5.581 15.619 1.00 33.33 H new ATOM 0 HG2 GLU A 149 -10.108 8.318 15.629 1.00 31.43 H new ATOM 0 HG3 GLU A 149 -11.736 8.054 15.037 1.00 31.43 H new ATOM 2408 N HIS A 150 -8.489 3.970 14.502 1.00 2.15 N ATOM 2409 CA HIS A 150 -8.282 2.595 14.039 1.00 21.23 C ATOM 2410 C HIS A 150 -7.388 1.797 15.007 1.00 22.42 C ATOM 2411 O HIS A 150 -6.249 2.183 15.278 1.00 35.12 O ATOM 2412 CB HIS A 150 -7.659 2.622 12.640 1.00 70.12 C ATOM 2413 CG HIS A 150 -8.462 3.411 11.648 1.00 4.10 C ATOM 2414 ND1 HIS A 150 -8.147 4.704 11.276 1.00 75.10 N ATOM 2415 CD2 HIS A 150 -9.571 3.084 10.938 1.00 41.55 C ATOM 2416 CE1 HIS A 150 -9.020 5.131 10.390 1.00 71.41 C ATOM 2417 NE2 HIS A 150 -9.893 4.171 10.167 1.00 42.35 N ATOM 0 H HIS A 150 -8.103 4.680 13.880 1.00 2.15 H new ATOM 0 HA HIS A 150 -9.249 2.094 14.004 1.00 21.23 H new ATOM 0 HB2 HIS A 150 -6.657 3.045 12.704 1.00 70.12 H new ATOM 0 HB3 HIS A 150 -7.551 1.600 12.278 1.00 70.12 H new ATOM 0 HD1 HIS A 150 -7.359 5.244 11.633 1.00 75.10 H new ATOM 0 HD2 HIS A 150 -10.101 2.144 10.974 1.00 41.55 H new ATOM 0 HE1 HIS A 150 -9.021 6.105 9.924 1.00 71.41 H new ATOM 2426 N HIS A 151 -7.905 0.672 15.512 1.00 73.50 N ATOM 2427 CA HIS A 151 -7.176 -0.134 16.499 1.00 24.31 C ATOM 2428 C HIS A 151 -6.125 -1.045 15.837 1.00 10.22 C ATOM 2429 O HIS A 151 -6.386 -2.203 15.518 1.00 3.02 O ATOM 2430 CB HIS A 151 -8.146 -0.943 17.383 1.00 52.32 C ATOM 2431 CG HIS A 151 -9.096 -1.832 16.634 1.00 53.21 C ATOM 2432 ND1 HIS A 151 -10.324 -1.406 16.182 1.00 43.14 N ATOM 2433 CD2 HIS A 151 -9.004 -3.138 16.277 1.00 63.45 C ATOM 2434 CE1 HIS A 151 -10.943 -2.402 15.585 1.00 41.34 C ATOM 2435 NE2 HIS A 151 -10.167 -3.465 15.627 1.00 51.34 N ATOM 0 H HIS A 151 -8.820 0.300 15.256 1.00 73.50 H new ATOM 0 HA HIS A 151 -6.635 0.558 17.144 1.00 24.31 H new ATOM 0 HB2 HIS A 151 -7.562 -1.557 18.069 1.00 52.32 H new ATOM 0 HB3 HIS A 151 -8.725 -0.248 17.991 1.00 52.32 H new ATOM 0 HD2 HIS A 151 -8.170 -3.797 16.469 1.00 63.45 H new ATOM 0 HE1 HIS A 151 -11.924 -2.355 15.136 1.00 41.34 H new ATOM 0 HE2 HIS A 151 -10.393 -4.381 15.240 1.00 51.34 H new ATOM 2444 N HIS A 152 -4.943 -0.481 15.615 1.00 61.12 N ATOM 2445 CA HIS A 152 -3.807 -1.219 15.042 1.00 65.40 C ATOM 2446 C HIS A 152 -3.422 -2.444 15.893 1.00 1.44 C ATOM 2447 O HIS A 152 -3.189 -2.330 17.099 1.00 20.42 O ATOM 2448 CB HIS A 152 -2.603 -0.276 14.898 1.00 22.50 C ATOM 2449 CG HIS A 152 -2.379 0.593 16.100 1.00 70.33 C ATOM 2450 ND1 HIS A 152 -1.712 0.177 17.231 1.00 24.54 N ATOM 2451 CD2 HIS A 152 -2.764 1.869 16.347 1.00 53.25 C ATOM 2452 CE1 HIS A 152 -1.698 1.153 18.118 1.00 35.31 C ATOM 2453 NE2 HIS A 152 -2.329 2.191 17.607 1.00 21.45 N ATOM 0 H HIS A 152 -4.739 0.496 15.824 1.00 61.12 H new ATOM 0 HA HIS A 152 -4.109 -1.589 14.062 1.00 65.40 H new ATOM 0 HB2 HIS A 152 -1.707 -0.869 14.715 1.00 22.50 H new ATOM 0 HB3 HIS A 152 -2.750 0.358 14.023 1.00 22.50 H new ATOM 0 HD2 HIS A 152 -3.312 2.513 15.675 1.00 53.25 H new ATOM 0 HE1 HIS A 152 -1.246 1.109 19.098 1.00 35.31 H new ATOM 0 HE2 HIS A 152 -2.471 3.087 18.073 1.00 21.45 H new ATOM 2462 N HIS A 153 -3.342 -3.611 15.255 1.00 63.10 N ATOM 2463 CA HIS A 153 -2.978 -4.857 15.948 1.00 70.13 C ATOM 2464 C HIS A 153 -1.744 -5.526 15.315 1.00 43.30 C ATOM 2465 O HIS A 153 -1.359 -5.212 14.193 1.00 52.42 O ATOM 2466 CB HIS A 153 -4.175 -5.825 15.994 1.00 54.42 C ATOM 2467 CG HIS A 153 -4.998 -5.859 14.740 1.00 20.42 C ATOM 2468 ND1 HIS A 153 -4.887 -6.843 13.787 1.00 11.15 N ATOM 2469 CD2 HIS A 153 -5.972 -5.028 14.298 1.00 31.21 C ATOM 2470 CE1 HIS A 153 -5.746 -6.618 12.818 1.00 21.14 C ATOM 2471 NE2 HIS A 153 -6.420 -5.521 13.099 1.00 35.34 N ATOM 0 H HIS A 153 -3.524 -3.725 14.258 1.00 63.10 H new ATOM 0 HA HIS A 153 -2.710 -4.597 16.972 1.00 70.13 H new ATOM 0 HB2 HIS A 153 -3.805 -6.830 16.198 1.00 54.42 H new ATOM 0 HB3 HIS A 153 -4.819 -5.547 16.828 1.00 54.42 H new ATOM 0 HD1 HIS A 153 -4.237 -7.628 13.826 1.00 11.15 H new ATOM 0 HD2 HIS A 153 -6.330 -4.140 14.798 1.00 31.21 H new ATOM 0 HE1 HIS A 153 -5.878 -7.230 11.938 1.00 21.14 H new ATOM 2480 N HIS A 154 -1.141 -6.468 16.046 1.00 3.11 N ATOM 2481 CA HIS A 154 0.160 -7.045 15.663 1.00 70.43 C ATOM 2482 C HIS A 154 0.034 -8.310 14.786 1.00 73.13 C ATOM 2483 O HIS A 154 1.041 -8.933 14.441 1.00 64.22 O ATOM 2484 CB HIS A 154 0.963 -7.371 16.931 1.00 71.43 C ATOM 2485 CG HIS A 154 1.241 -6.170 17.789 1.00 74.30 C ATOM 2486 ND1 HIS A 154 0.341 -5.677 18.712 1.00 51.41 N ATOM 2487 CD2 HIS A 154 2.325 -5.357 17.860 1.00 11.14 C ATOM 2488 CE1 HIS A 154 0.854 -4.620 19.309 1.00 4.21 C ATOM 2489 NE2 HIS A 154 2.054 -4.406 18.813 1.00 23.32 N ATOM 0 H HIS A 154 -1.530 -6.850 16.908 1.00 3.11 H new ATOM 0 HA HIS A 154 0.675 -6.298 15.059 1.00 70.43 H new ATOM 0 HB2 HIS A 154 0.416 -8.109 17.518 1.00 71.43 H new ATOM 0 HB3 HIS A 154 1.909 -7.830 16.644 1.00 71.43 H new ATOM 0 HD2 HIS A 154 3.230 -5.442 17.277 1.00 11.14 H new ATOM 0 HE1 HIS A 154 0.372 -4.030 20.075 1.00 4.21 H new ATOM 0 HE2 HIS A 154 2.683 -3.653 19.092 1.00 23.32 H new ATOM 2498 N HIS A 155 -1.191 -8.692 14.431 1.00 21.22 N ATOM 2499 CA HIS A 155 -1.425 -9.870 13.570 1.00 25.24 C ATOM 2500 C HIS A 155 -2.411 -9.560 12.430 1.00 72.23 C ATOM 2501 O HIS A 155 -3.414 -8.856 12.673 1.00 36.92 O ATOM 2502 CB HIS A 155 -1.937 -11.063 14.390 1.00 63.51 C ATOM 2503 CG HIS A 155 -0.898 -11.669 15.283 1.00 24.23 C ATOM 2504 ND1 HIS A 155 0.083 -12.519 14.820 1.00 13.32 N ATOM 2505 CD2 HIS A 155 -0.692 -11.554 16.615 1.00 73.53 C ATOM 2506 CE1 HIS A 155 0.844 -12.899 15.824 1.00 23.44 C ATOM 2507 NE2 HIS A 155 0.397 -12.330 16.923 1.00 42.33 N ATOM 2508 OXT HIS A 155 -2.198 -10.055 11.301 1.00 36.92 O ATOM 0 H HIS A 155 -2.042 -8.210 14.721 1.00 21.22 H new ATOM 0 HA HIS A 155 -0.464 -10.131 13.127 1.00 25.24 H new ATOM 0 HB2 HIS A 155 -2.782 -10.739 14.998 1.00 63.51 H new ATOM 0 HB3 HIS A 155 -2.309 -11.828 13.709 1.00 63.51 H new ATOM 0 HD2 HIS A 155 -1.275 -10.963 17.306 1.00 73.53 H new ATOM 0 HE1 HIS A 155 1.692 -13.565 15.757 1.00 23.44 H new ATOM 0 HE2 HIS A 155 0.796 -12.447 17.854 1.00 42.33 H new TER 2517 HIS A 155