USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1249 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 140 MET CE :methyl -112:sc= -2.97 (180deg=-3.86) USER MOD Set 1.2: A 144 MET CE :methyl 178:sc= -0.948 (180deg=-1.01) USER MOD Set 2.1: A 101 TYR OH : rot -80:sc= -1.47! USER MOD Set 2.2: A 132 SER OG : rot 119:sc= 0.907 USER MOD Set 3.1: A 58 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.82) USER MOD Set 3.2: A 61 SER OG : rot 180:sc= 0.0357 USER MOD Set 4.1: A 38 THR OG1 : rot -78:sc= 1.94 USER MOD Set 4.2: A 39 LYS NZ :NH3+ -126:sc= 0.645 (180deg=-0.342) USER MOD Set 5.1: A 16 ASN : amide:sc= 1.02 K(o=1.9,f=-0.86) USER MOD Set 5.2: A 60 GLN : amide:sc= 0.846 K(o=1.9,f=-2.5) USER MOD Single : A 5 LYS NZ :NH3+ 157:sc= 1.05 (180deg=0.557) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.22) USER MOD Single : A 15 SER OG : rot -60:sc= 1.02 USER MOD Single : A 18 THR OG1 : rot -150:sc= 0.0314 USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.321) USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 2.16 (180deg=1.78) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.21) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 33 MET CE :methyl 177:sc= -5.77! (180deg=-5.92!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 50 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.6) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= -0.071 (180deg=-0.379) USER MOD Single : A 53 ASN : amide:sc= -0.826 K(o=-0.83,f=-3!) USER MOD Single : A 63 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0417) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -0.0127 (180deg=-0.119) USER MOD Single : A 67 TYR OH : rot 101:sc= -0.62 USER MOD Single : A 68 SER OG : rot -73:sc= 1.34 USER MOD Single : A 71 CYS SG : rot -42:sc= 0.73 USER MOD Single : A 72 GLN : amide:sc= -0.0705 K(o=-0.07,f=-0.6) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -2.5! (180deg=-3.76!) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= -0.0636 (180deg=-0.465) USER MOD Single : A 83 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00125) USER MOD Single : A 85 THR OG1 : rot 110:sc= -0.047 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -162:sc= 0.0386 (180deg=-0.0088) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -168:sc=-0.00999 (180deg=-0.171) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.55) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.00294 USER MOD Single : A 120 GLN : amide:sc= -0.387 K(o=-0.39,f=-1.2) USER MOD Single : A 125 MET CE :methyl -165:sc= -5.01! (180deg=-6.03!) USER MOD Single : A 126 SER OG : rot 87:sc= 0.948 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 88:sc= 0.277 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ -164:sc= 1.26 (180deg=1.12) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot 61:sc= -2.36! USER MOD Single : A 157 SER OG : rot 30:sc= 0.205 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 5 -13.150 -7.397 -7.664 1.00 0.53 N ATOM 34 CA LYS A 5 -12.935 -7.802 -6.274 1.00 0.46 C ATOM 35 C LYS A 5 -11.524 -7.464 -5.802 1.00 0.34 C ATOM 36 O LYS A 5 -10.537 -7.745 -6.482 1.00 0.39 O ATOM 37 CB LYS A 5 -13.187 -9.301 -6.091 1.00 0.54 C ATOM 38 CG LYS A 5 -13.037 -9.769 -4.647 1.00 0.60 C ATOM 39 CD LYS A 5 -13.134 -11.283 -4.525 1.00 0.89 C ATOM 40 CE LYS A 5 -14.540 -11.789 -4.813 1.00 1.36 C ATOM 41 NZ LYS A 5 -14.580 -13.270 -4.960 1.00 1.61 N ATOM 0 HA LYS A 5 -13.648 -7.243 -5.668 1.00 0.46 H new ATOM 0 HB2 LYS A 5 -14.192 -9.538 -6.439 1.00 0.54 H new ATOM 0 HB3 LYS A 5 -12.492 -9.858 -6.720 1.00 0.54 H new ATOM 0 HG2 LYS A 5 -12.076 -9.435 -4.256 1.00 0.60 H new ATOM 0 HG3 LYS A 5 -13.810 -9.306 -4.034 1.00 0.60 H new ATOM 0 HD2 LYS A 5 -12.432 -11.748 -5.217 1.00 0.89 H new ATOM 0 HD3 LYS A 5 -12.838 -11.585 -3.520 1.00 0.89 H new ATOM 0 HE2 LYS A 5 -15.207 -11.487 -4.005 1.00 1.36 H new ATOM 0 HE3 LYS A 5 -14.913 -11.324 -5.725 1.00 1.36 H new ATOM 0 HZ1 LYS A 5 -15.543 -13.612 -4.767 1.00 1.61 H new ATOM 0 HZ2 LYS A 5 -14.308 -13.530 -5.930 1.00 1.61 H new ATOM 0 HZ3 LYS A 5 -13.917 -13.704 -4.287 1.00 1.61 H new ATOM 55 N GLY A 6 -11.446 -6.846 -4.634 1.00 0.26 N ATOM 56 CA GLY A 6 -10.164 -6.472 -4.071 1.00 0.20 C ATOM 57 C GLY A 6 -10.280 -5.233 -3.214 1.00 0.17 C ATOM 58 O GLY A 6 -11.384 -4.866 -2.808 1.00 0.24 O ATOM 0 H GLY A 6 -12.252 -6.595 -4.062 1.00 0.26 H new ATOM 0 HA2 GLY A 6 -9.773 -7.295 -3.473 1.00 0.20 H new ATOM 0 HA3 GLY A 6 -9.449 -6.295 -4.875 1.00 0.20 H new ATOM 62 N ALA A 7 -9.162 -4.576 -2.955 1.00 0.15 N ATOM 63 CA ALA A 7 -9.169 -3.341 -2.181 1.00 0.14 C ATOM 64 C ALA A 7 -8.575 -2.203 -2.996 1.00 0.14 C ATOM 65 O ALA A 7 -7.732 -2.427 -3.860 1.00 0.18 O ATOM 66 CB ALA A 7 -8.415 -3.517 -0.874 1.00 0.16 C ATOM 0 H ALA A 7 -8.238 -4.875 -3.268 1.00 0.15 H new ATOM 0 HA ALA A 7 -10.203 -3.092 -1.941 1.00 0.14 H new ATOM 0 HB1 ALA A 7 -8.434 -2.582 -0.314 1.00 0.16 H new ATOM 0 HB2 ALA A 7 -8.887 -4.303 -0.284 1.00 0.16 H new ATOM 0 HB3 ALA A 7 -7.382 -3.793 -1.084 1.00 0.16 H new ATOM 72 N TYR A 8 -9.023 -0.990 -2.727 1.00 0.12 N ATOM 73 CA TYR A 8 -8.580 0.179 -3.475 1.00 0.13 C ATOM 74 C TYR A 8 -8.132 1.289 -2.530 1.00 0.12 C ATOM 75 O TYR A 8 -8.826 1.605 -1.565 1.00 0.13 O ATOM 76 CB TYR A 8 -9.711 0.675 -4.387 1.00 0.16 C ATOM 77 CG TYR A 8 -9.677 0.096 -5.791 1.00 0.24 C ATOM 78 CD1 TYR A 8 -8.660 0.426 -6.676 1.00 0.31 C ATOM 79 CD2 TYR A 8 -10.672 -0.756 -6.239 1.00 0.39 C ATOM 80 CE1 TYR A 8 -8.639 -0.075 -7.963 1.00 0.40 C ATOM 81 CE2 TYR A 8 -10.658 -1.266 -7.524 1.00 0.48 C ATOM 82 CZ TYR A 8 -9.639 -0.919 -8.381 1.00 0.45 C ATOM 83 OH TYR A 8 -9.620 -1.418 -9.664 1.00 0.57 O ATOM 0 H TYR A 8 -9.699 -0.785 -1.991 1.00 0.12 H new ATOM 0 HA TYR A 8 -7.727 -0.105 -4.091 1.00 0.13 H new ATOM 0 HB2 TYR A 8 -10.668 0.428 -3.927 1.00 0.16 H new ATOM 0 HB3 TYR A 8 -9.660 1.762 -4.453 1.00 0.16 H new ATOM 0 HD1 TYR A 8 -7.870 1.087 -6.352 1.00 0.31 H new ATOM 0 HD2 TYR A 8 -11.476 -1.028 -5.571 1.00 0.39 H new ATOM 0 HE1 TYR A 8 -7.840 0.196 -8.638 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -11.442 -1.932 -7.853 1.00 0.48 H new ATOM 0 HH TYR A 8 -10.397 -2.000 -9.800 1.00 0.57 H new ATOM 93 N LEU A 9 -6.959 1.854 -2.806 1.00 0.12 N ATOM 94 CA LEU A 9 -6.434 2.976 -2.035 1.00 0.12 C ATOM 95 C LEU A 9 -6.972 4.267 -2.627 1.00 0.11 C ATOM 96 O LEU A 9 -6.714 4.577 -3.785 1.00 0.13 O ATOM 97 CB LEU A 9 -4.897 2.974 -2.065 1.00 0.12 C ATOM 98 CG LEU A 9 -4.173 3.903 -1.067 1.00 0.13 C ATOM 99 CD1 LEU A 9 -4.381 5.370 -1.397 1.00 0.16 C ATOM 100 CD2 LEU A 9 -4.605 3.609 0.361 1.00 0.12 C ATOM 0 H LEU A 9 -6.350 1.549 -3.565 1.00 0.12 H new ATOM 0 HA LEU A 9 -6.751 2.888 -0.996 1.00 0.12 H new ATOM 0 HB2 LEU A 9 -4.556 1.954 -1.886 1.00 0.12 H new ATOM 0 HB3 LEU A 9 -4.578 3.244 -3.072 1.00 0.12 H new ATOM 0 HG LEU A 9 -3.106 3.698 -1.157 1.00 0.13 H new ATOM 0 HD11 LEU A 9 -3.853 5.985 -0.668 1.00 0.16 H new ATOM 0 HD12 LEU A 9 -3.994 5.577 -2.395 1.00 0.16 H new ATOM 0 HD13 LEU A 9 -5.445 5.603 -1.365 1.00 0.16 H new ATOM 0 HD21 LEU A 9 -4.081 4.277 1.045 1.00 0.12 H new ATOM 0 HD22 LEU A 9 -5.680 3.764 0.455 1.00 0.12 H new ATOM 0 HD23 LEU A 9 -4.365 2.575 0.608 1.00 0.12 H new ATOM 112 N VAL A 10 -7.703 5.013 -1.832 1.00 0.12 N ATOM 113 CA VAL A 10 -8.347 6.222 -2.308 1.00 0.14 C ATOM 114 C VAL A 10 -7.902 7.421 -1.487 1.00 0.16 C ATOM 115 O VAL A 10 -7.522 7.280 -0.327 1.00 0.14 O ATOM 116 CB VAL A 10 -9.886 6.120 -2.228 1.00 0.16 C ATOM 117 CG1 VAL A 10 -10.522 6.645 -3.510 1.00 0.19 C ATOM 118 CG2 VAL A 10 -10.341 4.693 -1.936 1.00 0.16 C ATOM 0 H VAL A 10 -7.869 4.805 -0.847 1.00 0.12 H new ATOM 0 HA VAL A 10 -8.053 6.347 -3.350 1.00 0.14 H new ATOM 0 HB VAL A 10 -10.219 6.742 -1.397 1.00 0.16 H new ATOM 0 HG11 VAL A 10 -11.607 6.566 -3.437 1.00 0.19 H new ATOM 0 HG12 VAL A 10 -10.243 7.689 -3.653 1.00 0.19 H new ATOM 0 HG13 VAL A 10 -10.172 6.056 -4.358 1.00 0.19 H new ATOM 0 HG21 VAL A 10 -11.429 4.661 -1.887 1.00 0.16 H new ATOM 0 HG22 VAL A 10 -9.994 4.031 -2.729 1.00 0.16 H new ATOM 0 HG23 VAL A 10 -9.925 4.366 -0.983 1.00 0.16 H new ATOM 128 N PHE A 11 -7.925 8.590 -2.104 1.00 0.23 N ATOM 129 CA PHE A 11 -7.681 9.834 -1.394 1.00 0.27 C ATOM 130 C PHE A 11 -9.006 10.482 -1.032 1.00 0.33 C ATOM 131 O PHE A 11 -9.906 10.585 -1.868 1.00 0.42 O ATOM 132 CB PHE A 11 -6.848 10.789 -2.256 1.00 0.35 C ATOM 133 CG PHE A 11 -6.756 12.195 -1.716 1.00 0.48 C ATOM 134 CD1 PHE A 11 -5.819 12.533 -0.750 1.00 0.66 C ATOM 135 CD2 PHE A 11 -7.600 13.188 -2.195 1.00 0.72 C ATOM 136 CE1 PHE A 11 -5.729 13.825 -0.274 1.00 0.85 C ATOM 137 CE2 PHE A 11 -7.515 14.482 -1.719 1.00 0.90 C ATOM 138 CZ PHE A 11 -6.578 14.801 -0.758 1.00 0.90 C ATOM 0 H PHE A 11 -8.111 8.704 -3.100 1.00 0.23 H new ATOM 0 HA PHE A 11 -7.124 9.617 -0.483 1.00 0.27 H new ATOM 0 HB2 PHE A 11 -5.841 10.384 -2.356 1.00 0.35 H new ATOM 0 HB3 PHE A 11 -7.278 10.824 -3.257 1.00 0.35 H new ATOM 0 HD1 PHE A 11 -5.152 11.775 -0.366 1.00 0.66 H new ATOM 0 HD2 PHE A 11 -8.333 12.945 -2.950 1.00 0.72 H new ATOM 0 HE1 PHE A 11 -4.994 14.073 0.478 1.00 0.85 H new ATOM 0 HE2 PHE A 11 -8.181 15.243 -2.099 1.00 0.90 H new ATOM 0 HZ PHE A 11 -6.508 15.812 -0.385 1.00 0.90 H new ATOM 148 N ASP A 12 -9.125 10.909 0.208 1.00 0.32 N ATOM 149 CA ASP A 12 -10.295 11.645 0.648 1.00 0.39 C ATOM 150 C ASP A 12 -9.852 13.001 1.170 1.00 0.41 C ATOM 151 O ASP A 12 -8.762 13.128 1.721 1.00 0.36 O ATOM 152 CB ASP A 12 -11.046 10.873 1.737 1.00 0.42 C ATOM 153 CG ASP A 12 -12.427 11.440 2.001 1.00 0.52 C ATOM 154 OD1 ASP A 12 -13.387 11.019 1.322 1.00 0.58 O ATOM 155 OD2 ASP A 12 -12.560 12.304 2.886 1.00 0.61 O ATOM 0 H ASP A 12 -8.423 10.759 0.933 1.00 0.32 H new ATOM 0 HA ASP A 12 -10.975 11.778 -0.193 1.00 0.39 H new ATOM 0 HB2 ASP A 12 -11.136 9.828 1.441 1.00 0.42 H new ATOM 0 HB3 ASP A 12 -10.465 10.894 2.659 1.00 0.42 H new ATOM 160 N ASN A 13 -10.676 14.017 0.994 1.00 0.52 N ATOM 161 CA ASN A 13 -10.290 15.367 1.383 1.00 0.56 C ATOM 162 C ASN A 13 -10.836 15.695 2.770 1.00 0.57 C ATOM 163 O ASN A 13 -11.109 16.852 3.085 1.00 0.65 O ATOM 164 CB ASN A 13 -10.792 16.382 0.349 1.00 0.71 C ATOM 165 CG ASN A 13 -10.094 17.733 0.449 1.00 1.50 C ATOM 166 OD1 ASN A 13 -10.703 18.777 0.214 1.00 2.37 O ATOM 167 ND2 ASN A 13 -8.805 17.723 0.761 1.00 2.16 N ATOM 0 H ASN A 13 -11.609 13.939 0.589 1.00 0.52 H new ATOM 0 HA ASN A 13 -9.202 15.424 1.420 1.00 0.56 H new ATOM 0 HB2 ASN A 13 -10.643 15.976 -0.652 1.00 0.71 H new ATOM 0 HB3 ASN A 13 -11.865 16.524 0.479 1.00 0.71 H new ATOM 0 HD21 ASN A 13 -8.286 18.600 0.812 1.00 2.16 H new ATOM 0 HD22 ASN A 13 -8.333 16.839 0.950 1.00 2.16 H new ATOM 174 N ALA A 14 -10.986 14.664 3.595 1.00 0.55 N ATOM 175 CA ALA A 14 -11.533 14.816 4.937 1.00 0.59 C ATOM 176 C ALA A 14 -10.688 15.757 5.783 1.00 0.66 C ATOM 177 O ALA A 14 -11.036 16.923 5.965 1.00 1.31 O ATOM 178 CB ALA A 14 -11.667 13.459 5.613 1.00 0.60 C ATOM 0 H ALA A 14 -10.733 13.706 3.354 1.00 0.55 H new ATOM 0 HA ALA A 14 -12.524 15.260 4.844 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -12.077 13.590 6.614 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -12.334 12.825 5.028 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -10.686 12.988 5.681 1.00 0.60 H new ATOM 184 N SER A 15 -9.567 15.262 6.278 1.00 0.60 N ATOM 185 CA SER A 15 -8.647 16.094 7.034 1.00 0.54 C ATOM 186 C SER A 15 -7.706 16.797 6.062 1.00 0.52 C ATOM 187 O SER A 15 -6.485 16.800 6.239 1.00 0.53 O ATOM 188 CB SER A 15 -7.869 15.241 8.040 1.00 0.53 C ATOM 189 OG SER A 15 -7.063 16.040 8.895 1.00 1.23 O ATOM 0 H SER A 15 -9.272 14.291 6.171 1.00 0.60 H new ATOM 0 HA SER A 15 -9.200 16.846 7.597 1.00 0.54 H new ATOM 0 HB2 SER A 15 -8.568 14.658 8.639 1.00 0.53 H new ATOM 0 HB3 SER A 15 -7.239 14.531 7.504 1.00 0.53 H new ATOM 0 HG SER A 15 -6.414 16.541 8.358 1.00 1.23 H new ATOM 195 N ASN A 16 -8.304 17.369 5.015 1.00 0.53 N ATOM 196 CA ASN A 16 -7.570 18.020 3.935 1.00 0.57 C ATOM 197 C ASN A 16 -6.589 17.051 3.290 1.00 0.52 C ATOM 198 O ASN A 16 -5.593 17.459 2.689 1.00 0.68 O ATOM 199 CB ASN A 16 -6.835 19.264 4.439 1.00 0.66 C ATOM 200 CG ASN A 16 -7.776 20.323 4.978 1.00 0.76 C ATOM 201 OD1 ASN A 16 -8.928 20.422 4.557 1.00 1.08 O ATOM 202 ND2 ASN A 16 -7.288 21.131 5.905 1.00 1.30 N ATOM 0 H ASN A 16 -9.317 17.392 4.895 1.00 0.53 H new ATOM 0 HA ASN A 16 -8.294 18.334 3.183 1.00 0.57 H new ATOM 0 HB2 ASN A 16 -6.134 18.974 5.222 1.00 0.66 H new ATOM 0 HB3 ASN A 16 -6.246 19.687 3.625 1.00 0.66 H new ATOM 0 HD21 ASN A 16 -7.873 21.869 6.297 1.00 1.30 H new ATOM 0 HD22 ASN A 16 -6.327 21.016 6.227 1.00 1.30 H new ATOM 209 N GLY A 17 -6.885 15.767 3.406 1.00 0.39 N ATOM 210 CA GLY A 17 -5.993 14.754 2.885 1.00 0.34 C ATOM 211 C GLY A 17 -6.006 13.516 3.742 1.00 0.28 C ATOM 212 O GLY A 17 -5.443 13.504 4.831 1.00 0.29 O ATOM 0 H GLY A 17 -7.729 15.407 3.852 1.00 0.39 H new ATOM 0 HA2 GLY A 17 -6.287 14.497 1.867 1.00 0.34 H new ATOM 0 HA3 GLY A 17 -4.979 15.152 2.833 1.00 0.34 H new ATOM 216 N THR A 18 -6.666 12.487 3.260 1.00 0.27 N ATOM 217 CA THR A 18 -6.788 11.241 3.988 1.00 0.24 C ATOM 218 C THR A 18 -6.727 10.069 3.015 1.00 0.18 C ATOM 219 O THR A 18 -7.060 10.220 1.840 1.00 0.19 O ATOM 220 CB THR A 18 -8.124 11.202 4.765 1.00 0.30 C ATOM 221 OG1 THR A 18 -8.267 12.383 5.572 1.00 0.40 O ATOM 222 CG2 THR A 18 -8.206 9.969 5.652 1.00 0.33 C ATOM 0 H THR A 18 -7.133 12.489 2.353 1.00 0.27 H new ATOM 0 HA THR A 18 -5.965 11.167 4.698 1.00 0.24 H new ATOM 0 HB THR A 18 -8.932 11.161 4.035 1.00 0.30 H new ATOM 0 HG1 THR A 18 -8.798 12.173 6.368 1.00 0.40 H new ATOM 0 HG21 THR A 18 -9.156 9.968 6.186 1.00 0.33 H new ATOM 0 HG22 THR A 18 -8.135 9.072 5.036 1.00 0.33 H new ATOM 0 HG23 THR A 18 -7.386 9.982 6.370 1.00 0.33 H new ATOM 230 N LEU A 19 -6.292 8.913 3.492 1.00 0.15 N ATOM 231 CA LEU A 19 -6.292 7.718 2.674 1.00 0.13 C ATOM 232 C LEU A 19 -7.434 6.818 3.068 1.00 0.14 C ATOM 233 O LEU A 19 -7.844 6.783 4.226 1.00 0.21 O ATOM 234 CB LEU A 19 -4.990 6.941 2.800 1.00 0.14 C ATOM 235 CG LEU A 19 -3.759 7.639 2.252 1.00 0.24 C ATOM 236 CD1 LEU A 19 -2.630 6.635 2.114 1.00 0.54 C ATOM 237 CD2 LEU A 19 -4.081 8.302 0.919 1.00 0.58 C ATOM 0 H LEU A 19 -5.936 8.781 4.439 1.00 0.15 H new ATOM 0 HA LEU A 19 -6.403 8.040 1.639 1.00 0.13 H new ATOM 0 HB2 LEU A 19 -4.821 6.717 3.853 1.00 0.14 H new ATOM 0 HB3 LEU A 19 -5.105 5.987 2.286 1.00 0.14 H new ATOM 0 HG LEU A 19 -3.442 8.421 2.941 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -1.745 7.135 1.720 1.00 0.54 H new ATOM 0 HD12 LEU A 19 -2.402 6.208 3.090 1.00 0.54 H new ATOM 0 HD13 LEU A 19 -2.931 5.840 1.432 1.00 0.54 H new ATOM 0 HD21 LEU A 19 -3.190 8.800 0.536 1.00 0.58 H new ATOM 0 HD22 LEU A 19 -4.409 7.545 0.206 1.00 0.58 H new ATOM 0 HD23 LEU A 19 -4.874 9.036 1.060 1.00 0.58 H new ATOM 249 N PHE A 20 -7.925 6.086 2.101 1.00 0.13 N ATOM 250 CA PHE A 20 -9.083 5.250 2.282 1.00 0.14 C ATOM 251 C PHE A 20 -8.866 3.920 1.578 1.00 0.13 C ATOM 252 O PHE A 20 -8.472 3.879 0.420 1.00 0.12 O ATOM 253 CB PHE A 20 -10.312 6.029 1.750 1.00 0.15 C ATOM 254 CG PHE A 20 -11.557 5.240 1.421 1.00 0.16 C ATOM 255 CD1 PHE A 20 -11.829 4.036 2.025 1.00 0.17 C ATOM 256 CD2 PHE A 20 -12.461 5.733 0.491 1.00 0.17 C ATOM 257 CE1 PHE A 20 -12.969 3.325 1.712 1.00 0.19 C ATOM 258 CE2 PHE A 20 -13.606 5.031 0.173 1.00 0.19 C ATOM 259 CZ PHE A 20 -13.861 3.823 0.786 1.00 0.19 C ATOM 0 H PHE A 20 -7.530 6.053 1.161 1.00 0.13 H new ATOM 0 HA PHE A 20 -9.256 5.015 3.332 1.00 0.14 H new ATOM 0 HB2 PHE A 20 -10.579 6.781 2.492 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -10.006 6.563 0.850 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -11.140 3.640 2.756 1.00 0.17 H new ATOM 0 HD2 PHE A 20 -12.266 6.680 0.009 1.00 0.17 H new ATOM 0 HE1 PHE A 20 -13.163 2.378 2.193 1.00 0.19 H new ATOM 0 HE2 PHE A 20 -14.300 5.427 -0.554 1.00 0.19 H new ATOM 0 HZ PHE A 20 -14.755 3.269 0.542 1.00 0.19 H new ATOM 269 N ILE A 21 -9.072 2.838 2.308 1.00 0.15 N ATOM 270 CA ILE A 21 -9.039 1.514 1.722 1.00 0.16 C ATOM 271 C ILE A 21 -10.444 0.948 1.664 1.00 0.18 C ATOM 272 O ILE A 21 -11.098 0.733 2.689 1.00 0.23 O ATOM 273 CB ILE A 21 -8.113 0.539 2.483 1.00 0.20 C ATOM 274 CG1 ILE A 21 -8.254 -0.866 1.886 1.00 0.24 C ATOM 275 CG2 ILE A 21 -8.421 0.533 3.976 1.00 0.24 C ATOM 276 CD1 ILE A 21 -7.399 -1.907 2.561 1.00 0.28 C ATOM 0 H ILE A 21 -9.264 2.853 3.310 1.00 0.15 H new ATOM 0 HA ILE A 21 -8.629 1.620 0.717 1.00 0.16 H new ATOM 0 HB ILE A 21 -7.082 0.873 2.371 1.00 0.20 H new ATOM 0 HG12 ILE A 21 -9.298 -1.173 1.947 1.00 0.24 H new ATOM 0 HG13 ILE A 21 -7.995 -0.828 0.828 1.00 0.24 H new ATOM 0 HG21 ILE A 21 -7.752 -0.163 4.483 1.00 0.24 H new ATOM 0 HG22 ILE A 21 -8.277 1.535 4.381 1.00 0.24 H new ATOM 0 HG23 ILE A 21 -9.454 0.223 4.133 1.00 0.24 H new ATOM 0 HD11 ILE A 21 -7.555 -2.873 2.081 1.00 0.28 H new ATOM 0 HD12 ILE A 21 -6.349 -1.626 2.477 1.00 0.28 H new ATOM 0 HD13 ILE A 21 -7.673 -1.976 3.614 1.00 0.28 H new ATOM 288 N VAL A 22 -10.917 0.746 0.459 1.00 0.16 N ATOM 289 CA VAL A 22 -12.253 0.242 0.252 1.00 0.18 C ATOM 290 C VAL A 22 -12.245 -1.283 0.183 1.00 0.18 C ATOM 291 O VAL A 22 -11.463 -1.884 -0.560 1.00 0.22 O ATOM 292 CB VAL A 22 -12.862 0.817 -1.044 1.00 0.21 C ATOM 293 CG1 VAL A 22 -12.021 0.422 -2.228 1.00 0.22 C ATOM 294 CG2 VAL A 22 -14.310 0.373 -1.207 1.00 0.24 C ATOM 0 H VAL A 22 -10.394 0.924 -0.398 1.00 0.16 H new ATOM 0 HA VAL A 22 -12.865 0.558 1.097 1.00 0.18 H new ATOM 0 HB VAL A 22 -12.865 1.905 -0.981 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -12.459 0.832 -3.138 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -11.011 0.812 -2.103 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -11.984 -0.665 -2.301 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -14.717 0.791 -2.128 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -14.354 -0.715 -1.252 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -14.896 0.725 -0.358 1.00 0.24 H new ATOM 304 N TRP A 23 -13.091 -1.907 0.978 1.00 0.19 N ATOM 305 CA TRP A 23 -13.288 -3.337 0.877 1.00 0.21 C ATOM 306 C TRP A 23 -14.624 -3.614 0.212 1.00 0.24 C ATOM 307 O TRP A 23 -15.688 -3.390 0.794 1.00 0.27 O ATOM 308 CB TRP A 23 -13.187 -4.022 2.242 1.00 0.23 C ATOM 309 CG TRP A 23 -11.766 -4.243 2.664 1.00 0.23 C ATOM 310 CD1 TRP A 23 -11.135 -3.717 3.753 1.00 0.29 C ATOM 311 CD2 TRP A 23 -10.791 -5.037 1.976 1.00 0.21 C ATOM 312 NE1 TRP A 23 -9.827 -4.144 3.790 1.00 0.31 N ATOM 313 CE2 TRP A 23 -9.593 -4.953 2.706 1.00 0.26 C ATOM 314 CE3 TRP A 23 -10.815 -5.814 0.811 1.00 0.22 C ATOM 315 CZ2 TRP A 23 -8.432 -5.613 2.310 1.00 0.28 C ATOM 316 CZ3 TRP A 23 -9.662 -6.468 0.421 1.00 0.26 C ATOM 317 CH2 TRP A 23 -8.483 -6.362 1.170 1.00 0.27 C ATOM 0 H TRP A 23 -13.650 -1.448 1.697 1.00 0.19 H new ATOM 0 HA TRP A 23 -12.492 -3.757 0.262 1.00 0.21 H new ATOM 0 HB2 TRP A 23 -13.695 -3.413 2.990 1.00 0.23 H new ATOM 0 HB3 TRP A 23 -13.706 -4.980 2.205 1.00 0.23 H new ATOM 0 HD1 TRP A 23 -11.594 -3.062 4.479 1.00 0.29 H new ATOM 0 HE1 TRP A 23 -9.143 -3.899 4.506 1.00 0.31 H new ATOM 0 HE3 TRP A 23 -11.720 -5.901 0.227 1.00 0.22 H new ATOM 0 HZ2 TRP A 23 -7.522 -5.535 2.886 1.00 0.28 H new ATOM 0 HZ3 TRP A 23 -9.670 -7.070 -0.475 1.00 0.26 H new ATOM 0 HH2 TRP A 23 -7.597 -6.883 0.839 1.00 0.27 H new ATOM 328 N LYS A 24 -14.555 -4.077 -1.023 1.00 0.25 N ATOM 329 CA LYS A 24 -15.738 -4.272 -1.837 1.00 0.28 C ATOM 330 C LYS A 24 -15.533 -5.439 -2.795 1.00 0.33 C ATOM 331 O LYS A 24 -14.430 -5.980 -2.918 1.00 0.39 O ATOM 332 CB LYS A 24 -16.044 -3.014 -2.654 1.00 0.29 C ATOM 333 CG LYS A 24 -15.160 -2.878 -3.865 1.00 0.35 C ATOM 334 CD LYS A 24 -13.787 -2.369 -3.484 1.00 0.61 C ATOM 335 CE LYS A 24 -12.785 -2.579 -4.598 1.00 1.14 C ATOM 336 NZ LYS A 24 -12.710 -4.000 -5.013 1.00 1.36 N ATOM 0 H LYS A 24 -13.682 -4.327 -1.487 1.00 0.25 H new ATOM 0 HA LYS A 24 -16.573 -4.484 -1.169 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -17.087 -3.036 -2.971 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -15.922 -2.136 -2.020 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -15.068 -3.844 -4.362 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -15.619 -2.194 -4.579 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -13.846 -1.308 -3.243 1.00 0.61 H new ATOM 0 HD3 LYS A 24 -13.445 -2.882 -2.585 1.00 0.61 H new ATOM 0 HE2 LYS A 24 -13.061 -1.965 -5.455 1.00 1.14 H new ATOM 0 HE3 LYS A 24 -11.801 -2.244 -4.269 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 -11.862 -4.147 -5.597 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -12.658 -4.606 -4.169 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -13.557 -4.246 -5.564 1.00 1.36 H new ATOM 350 N LYS A 25 -16.594 -5.788 -3.497 1.00 0.36 N ATOM 351 CA LYS A 25 -16.568 -6.875 -4.461 1.00 0.42 C ATOM 352 C LYS A 25 -16.727 -6.304 -5.858 1.00 0.45 C ATOM 353 O LYS A 25 -16.866 -7.031 -6.840 1.00 0.56 O ATOM 354 CB LYS A 25 -17.690 -7.887 -4.194 1.00 0.49 C ATOM 355 CG LYS A 25 -17.498 -8.746 -2.955 1.00 0.67 C ATOM 356 CD LYS A 25 -17.838 -8.003 -1.679 1.00 0.70 C ATOM 357 CE LYS A 25 -18.188 -8.983 -0.573 1.00 0.94 C ATOM 358 NZ LYS A 25 -18.672 -8.312 0.661 1.00 1.94 N ATOM 0 H LYS A 25 -17.500 -5.326 -3.416 1.00 0.36 H new ATOM 0 HA LYS A 25 -15.614 -7.394 -4.368 1.00 0.42 H new ATOM 0 HB2 LYS A 25 -18.632 -7.346 -4.101 1.00 0.49 H new ATOM 0 HB3 LYS A 25 -17.783 -8.541 -5.061 1.00 0.49 H new ATOM 0 HG2 LYS A 25 -18.124 -9.635 -3.032 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -16.464 -9.087 -2.909 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -16.993 -7.387 -1.373 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -18.676 -7.329 -1.855 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -18.955 -9.670 -0.932 1.00 0.94 H new ATOM 0 HE3 LYS A 25 -17.310 -9.583 -0.334 1.00 0.94 H new ATOM 0 HZ1 LYS A 25 -19.115 -9.014 1.287 1.00 1.94 H new ATOM 0 HZ2 LYS A 25 -17.870 -7.868 1.152 1.00 1.94 H new ATOM 0 HZ3 LYS A 25 -19.370 -7.584 0.409 1.00 1.94 H new ATOM 372 N GLU A 26 -16.707 -4.986 -5.923 1.00 0.40 N ATOM 373 CA GLU A 26 -16.930 -4.264 -7.168 1.00 0.45 C ATOM 374 C GLU A 26 -15.738 -3.389 -7.502 1.00 0.41 C ATOM 375 O GLU A 26 -14.753 -3.361 -6.770 1.00 0.42 O ATOM 376 CB GLU A 26 -18.186 -3.401 -7.074 1.00 0.49 C ATOM 377 CG GLU A 26 -19.471 -4.202 -7.036 1.00 1.23 C ATOM 378 CD GLU A 26 -20.696 -3.318 -7.034 1.00 1.20 C ATOM 379 OE1 GLU A 26 -21.154 -2.933 -8.129 1.00 1.45 O ATOM 380 OE2 GLU A 26 -21.201 -2.995 -5.942 1.00 1.19 O ATOM 0 H GLU A 26 -16.536 -4.384 -5.118 1.00 0.40 H new ATOM 0 HA GLU A 26 -17.063 -5.000 -7.961 1.00 0.45 H new ATOM 0 HB2 GLU A 26 -18.126 -2.783 -6.178 1.00 0.49 H new ATOM 0 HB3 GLU A 26 -18.215 -2.723 -7.927 1.00 0.49 H new ATOM 0 HG2 GLU A 26 -19.507 -4.868 -7.898 1.00 1.23 H new ATOM 0 HG3 GLU A 26 -19.478 -4.832 -6.146 1.00 1.23 H new ATOM 387 N LYS A 27 -15.820 -2.701 -8.623 1.00 0.48 N ATOM 388 CA LYS A 27 -14.770 -1.780 -9.029 1.00 0.49 C ATOM 389 C LYS A 27 -14.867 -0.462 -8.267 1.00 0.47 C ATOM 390 O LYS A 27 -15.954 0.089 -8.087 1.00 0.68 O ATOM 391 CB LYS A 27 -14.848 -1.501 -10.530 1.00 0.64 C ATOM 392 CG LYS A 27 -16.234 -1.088 -11.000 1.00 1.53 C ATOM 393 CD LYS A 27 -16.172 -0.194 -12.228 1.00 1.71 C ATOM 394 CE LYS A 27 -15.832 1.245 -11.860 1.00 1.60 C ATOM 395 NZ LYS A 27 -15.827 2.133 -13.052 1.00 2.35 N ATOM 0 H LYS A 27 -16.604 -2.761 -9.273 1.00 0.48 H new ATOM 0 HA LYS A 27 -13.815 -2.252 -8.797 1.00 0.49 H new ATOM 0 HB2 LYS A 27 -14.138 -0.713 -10.782 1.00 0.64 H new ATOM 0 HB3 LYS A 27 -14.540 -2.394 -11.074 1.00 0.64 H new ATOM 0 HG2 LYS A 27 -16.820 -1.978 -11.228 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -16.749 -0.564 -10.195 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -15.424 -0.579 -12.921 1.00 1.71 H new ATOM 0 HD3 LYS A 27 -17.130 -0.220 -12.746 1.00 1.71 H new ATOM 0 HE2 LYS A 27 -16.556 1.615 -11.134 1.00 1.60 H new ATOM 0 HE3 LYS A 27 -14.854 1.276 -11.380 1.00 1.60 H new ATOM 0 HZ1 LYS A 27 -15.526 3.088 -12.772 1.00 2.35 H new ATOM 0 HZ2 LYS A 27 -15.168 1.756 -13.763 1.00 2.35 H new ATOM 0 HZ3 LYS A 27 -16.784 2.177 -13.456 1.00 2.35 H new ATOM 409 N VAL A 28 -13.726 0.025 -7.811 1.00 0.43 N ATOM 410 CA VAL A 28 -13.631 1.353 -7.224 1.00 0.42 C ATOM 411 C VAL A 28 -12.640 2.179 -8.026 1.00 0.40 C ATOM 412 O VAL A 28 -11.440 1.905 -8.018 1.00 0.51 O ATOM 413 CB VAL A 28 -13.188 1.317 -5.741 1.00 0.52 C ATOM 414 CG1 VAL A 28 -12.898 2.718 -5.224 1.00 1.16 C ATOM 415 CG2 VAL A 28 -14.236 0.652 -4.864 1.00 1.07 C ATOM 0 H VAL A 28 -12.843 -0.485 -7.836 1.00 0.43 H new ATOM 0 HA VAL A 28 -14.625 1.799 -7.254 1.00 0.42 H new ATOM 0 HB VAL A 28 -12.273 0.727 -5.693 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -12.589 2.664 -4.180 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -12.100 3.166 -5.816 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -13.797 3.329 -5.305 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -13.893 0.644 -3.830 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -15.172 1.207 -4.931 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -14.396 -0.372 -5.201 1.00 1.07 H new ATOM 425 N GLU A 29 -13.147 3.158 -8.749 1.00 0.37 N ATOM 426 CA GLU A 29 -12.299 4.020 -9.554 1.00 0.37 C ATOM 427 C GLU A 29 -11.763 5.181 -8.723 1.00 0.32 C ATOM 428 O GLU A 29 -12.098 5.311 -7.543 1.00 0.33 O ATOM 429 CB GLU A 29 -13.071 4.536 -10.763 1.00 0.45 C ATOM 430 CG GLU A 29 -14.388 5.179 -10.393 1.00 0.74 C ATOM 431 CD GLU A 29 -15.217 5.546 -11.601 1.00 1.33 C ATOM 432 OE1 GLU A 29 -15.239 6.732 -11.983 1.00 1.80 O ATOM 433 OE2 GLU A 29 -15.854 4.643 -12.182 1.00 1.98 O ATOM 0 H GLU A 29 -14.142 3.378 -8.797 1.00 0.37 H new ATOM 0 HA GLU A 29 -11.448 3.437 -9.906 1.00 0.37 H new ATOM 0 HB2 GLU A 29 -12.457 5.261 -11.297 1.00 0.45 H new ATOM 0 HB3 GLU A 29 -13.257 3.709 -11.448 1.00 0.45 H new ATOM 0 HG2 GLU A 29 -14.956 4.496 -9.761 1.00 0.74 H new ATOM 0 HG3 GLU A 29 -14.197 6.075 -9.803 1.00 0.74 H new ATOM 440 N ASN A 30 -10.922 6.006 -9.347 1.00 0.33 N ATOM 441 CA ASN A 30 -10.336 7.182 -8.696 1.00 0.34 C ATOM 442 C ASN A 30 -9.356 6.771 -7.605 1.00 0.27 C ATOM 443 O ASN A 30 -9.028 7.557 -6.716 1.00 0.31 O ATOM 444 CB ASN A 30 -11.427 8.085 -8.103 1.00 0.40 C ATOM 445 CG ASN A 30 -12.370 8.642 -9.152 1.00 1.17 C ATOM 446 OD1 ASN A 30 -11.976 8.891 -10.293 1.00 1.67 O ATOM 447 ND2 ASN A 30 -13.622 8.840 -8.774 1.00 2.06 N ATOM 0 H ASN A 30 -10.627 5.880 -10.315 1.00 0.33 H new ATOM 0 HA ASN A 30 -9.795 7.742 -9.459 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -12.001 7.518 -7.370 1.00 0.40 H new ATOM 0 HB3 ASN A 30 -10.957 8.911 -7.570 1.00 0.40 H new ATOM 0 HD21 ASN A 30 -14.302 9.212 -9.437 1.00 2.06 H new ATOM 0 HD22 ASN A 30 -13.907 8.621 -7.820 1.00 2.06 H new ATOM 454 N ALA A 31 -8.874 5.543 -7.685 1.00 0.21 N ATOM 455 CA ALA A 31 -7.971 5.013 -6.684 1.00 0.18 C ATOM 456 C ALA A 31 -6.515 5.181 -7.102 1.00 0.17 C ATOM 457 O ALA A 31 -6.197 5.280 -8.290 1.00 0.20 O ATOM 458 CB ALA A 31 -8.286 3.555 -6.430 1.00 0.17 C ATOM 0 H ALA A 31 -9.096 4.892 -8.439 1.00 0.21 H new ATOM 0 HA ALA A 31 -8.114 5.577 -5.762 1.00 0.18 H new ATOM 0 HB1 ALA A 31 -7.604 3.161 -5.676 1.00 0.17 H new ATOM 0 HB2 ALA A 31 -9.312 3.461 -6.075 1.00 0.17 H new ATOM 0 HB3 ALA A 31 -8.169 2.991 -7.355 1.00 0.17 H new ATOM 464 N LEU A 32 -5.643 5.233 -6.104 1.00 0.17 N ATOM 465 CA LEU A 32 -4.214 5.445 -6.312 1.00 0.18 C ATOM 466 C LEU A 32 -3.482 4.108 -6.286 1.00 0.17 C ATOM 467 O LEU A 32 -2.426 3.952 -6.887 1.00 0.19 O ATOM 468 CB LEU A 32 -3.633 6.360 -5.214 1.00 0.22 C ATOM 469 CG LEU A 32 -4.035 7.848 -5.226 1.00 0.29 C ATOM 470 CD1 LEU A 32 -5.446 8.060 -5.734 1.00 0.38 C ATOM 471 CD2 LEU A 32 -3.888 8.443 -3.835 1.00 0.28 C ATOM 0 H LEU A 32 -5.906 5.129 -5.124 1.00 0.17 H new ATOM 0 HA LEU A 32 -4.078 5.923 -7.282 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -3.918 5.945 -4.247 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -2.546 6.307 -5.275 1.00 0.22 H new ATOM 0 HG LEU A 32 -3.361 8.357 -5.915 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -5.681 9.124 -5.723 1.00 0.38 H new ATOM 0 HD12 LEU A 32 -5.527 7.681 -6.753 1.00 0.38 H new ATOM 0 HD13 LEU A 32 -6.148 7.527 -5.092 1.00 0.38 H new ATOM 0 HD21 LEU A 32 -4.175 9.494 -3.857 1.00 0.28 H new ATOM 0 HD22 LEU A 32 -4.532 7.905 -3.139 1.00 0.28 H new ATOM 0 HD23 LEU A 32 -2.851 8.357 -3.510 1.00 0.28 H new ATOM 483 N MET A 33 -4.052 3.148 -5.567 1.00 0.15 N ATOM 484 CA MET A 33 -3.455 1.814 -5.434 1.00 0.14 C ATOM 485 C MET A 33 -4.539 0.747 -5.307 1.00 0.12 C ATOM 486 O MET A 33 -5.713 1.073 -5.132 1.00 0.12 O ATOM 487 CB MET A 33 -2.521 1.730 -4.226 1.00 0.14 C ATOM 488 CG MET A 33 -1.307 2.629 -4.297 1.00 0.17 C ATOM 489 SD MET A 33 -0.328 2.542 -2.795 1.00 0.17 S ATOM 490 CE MET A 33 0.000 0.784 -2.741 1.00 0.20 C ATOM 0 H MET A 33 -4.931 3.265 -5.063 1.00 0.15 H new ATOM 0 HA MET A 33 -2.871 1.635 -6.337 1.00 0.14 H new ATOM 0 HB2 MET A 33 -3.088 1.979 -3.329 1.00 0.14 H new ATOM 0 HB3 MET A 33 -2.186 0.699 -4.115 1.00 0.14 H new ATOM 0 HG2 MET A 33 -0.691 2.343 -5.150 1.00 0.17 H new ATOM 0 HG3 MET A 33 -1.625 3.658 -4.465 1.00 0.17 H new ATOM 0 HE1 MET A 33 0.647 0.560 -1.893 1.00 0.20 H new ATOM 0 HE2 MET A 33 -0.939 0.242 -2.634 1.00 0.20 H new ATOM 0 HE3 MET A 33 0.493 0.477 -3.664 1.00 0.20 H new ATOM 500 N PHE A 34 -4.142 -0.522 -5.385 1.00 0.12 N ATOM 501 CA PHE A 34 -5.095 -1.626 -5.400 1.00 0.12 C ATOM 502 C PHE A 34 -4.494 -2.881 -4.758 1.00 0.11 C ATOM 503 O PHE A 34 -3.279 -3.058 -4.740 1.00 0.12 O ATOM 504 CB PHE A 34 -5.522 -1.908 -6.851 1.00 0.13 C ATOM 505 CG PHE A 34 -6.389 -3.125 -7.029 1.00 0.15 C ATOM 506 CD1 PHE A 34 -5.839 -4.316 -7.465 1.00 0.17 C ATOM 507 CD2 PHE A 34 -7.748 -3.078 -6.771 1.00 0.19 C ATOM 508 CE1 PHE A 34 -6.625 -5.437 -7.641 1.00 0.21 C ATOM 509 CE2 PHE A 34 -8.541 -4.196 -6.942 1.00 0.23 C ATOM 510 CZ PHE A 34 -7.979 -5.378 -7.378 1.00 0.23 C ATOM 0 H PHE A 34 -3.165 -0.810 -5.439 1.00 0.12 H new ATOM 0 HA PHE A 34 -5.971 -1.346 -4.814 1.00 0.12 H new ATOM 0 HB2 PHE A 34 -6.058 -1.039 -7.233 1.00 0.13 H new ATOM 0 HB3 PHE A 34 -4.627 -2.024 -7.462 1.00 0.13 H new ATOM 0 HD1 PHE A 34 -4.780 -4.370 -7.671 1.00 0.17 H new ATOM 0 HD2 PHE A 34 -8.194 -2.155 -6.431 1.00 0.19 H new ATOM 0 HE1 PHE A 34 -6.181 -6.360 -7.984 1.00 0.21 H new ATOM 0 HE2 PHE A 34 -9.600 -4.145 -6.735 1.00 0.23 H new ATOM 0 HZ PHE A 34 -8.596 -6.254 -7.513 1.00 0.23 H new ATOM 520 N ILE A 35 -5.362 -3.733 -4.228 1.00 0.11 N ATOM 521 CA ILE A 35 -4.965 -5.012 -3.645 1.00 0.12 C ATOM 522 C ILE A 35 -5.730 -6.137 -4.319 1.00 0.12 C ATOM 523 O ILE A 35 -6.954 -6.069 -4.443 1.00 0.16 O ATOM 524 CB ILE A 35 -5.263 -5.102 -2.129 1.00 0.13 C ATOM 525 CG1 ILE A 35 -4.435 -4.094 -1.325 1.00 0.13 C ATOM 526 CG2 ILE A 35 -5.002 -6.519 -1.636 1.00 0.15 C ATOM 527 CD1 ILE A 35 -4.759 -4.081 0.161 1.00 0.14 C ATOM 0 H ILE A 35 -6.366 -3.557 -4.189 1.00 0.11 H new ATOM 0 HA ILE A 35 -3.889 -5.097 -3.797 1.00 0.12 H new ATOM 0 HB ILE A 35 -6.313 -4.853 -1.977 1.00 0.13 H new ATOM 0 HG12 ILE A 35 -3.377 -4.321 -1.455 1.00 0.13 H new ATOM 0 HG13 ILE A 35 -4.599 -3.096 -1.732 1.00 0.13 H new ATOM 0 HG21 ILE A 35 -5.213 -6.577 -0.568 1.00 0.15 H new ATOM 0 HG22 ILE A 35 -5.647 -7.215 -2.172 1.00 0.15 H new ATOM 0 HG23 ILE A 35 -3.959 -6.780 -1.814 1.00 0.15 H new ATOM 0 HD11 ILE A 35 -4.133 -3.343 0.663 1.00 0.14 H new ATOM 0 HD12 ILE A 35 -5.809 -3.823 0.302 1.00 0.14 H new ATOM 0 HD13 ILE A 35 -4.567 -5.067 0.584 1.00 0.14 H new ATOM 539 N LYS A 36 -5.019 -7.167 -4.743 1.00 0.13 N ATOM 540 CA LYS A 36 -5.659 -8.331 -5.329 1.00 0.15 C ATOM 541 C LYS A 36 -5.550 -9.517 -4.377 1.00 0.16 C ATOM 542 O LYS A 36 -4.480 -10.079 -4.220 1.00 0.22 O ATOM 543 CB LYS A 36 -4.954 -8.677 -6.639 1.00 0.25 C ATOM 544 CG LYS A 36 -5.520 -9.898 -7.349 1.00 0.64 C ATOM 545 CD LYS A 36 -6.635 -9.524 -8.309 1.00 0.70 C ATOM 546 CE LYS A 36 -6.089 -8.801 -9.532 1.00 1.57 C ATOM 547 NZ LYS A 36 -7.156 -8.506 -10.522 1.00 2.38 N ATOM 0 H LYS A 36 -4.002 -7.221 -4.693 1.00 0.13 H new ATOM 0 HA LYS A 36 -6.711 -8.112 -5.513 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -5.016 -7.820 -7.309 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -3.897 -8.847 -6.436 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -4.723 -10.403 -7.896 1.00 0.64 H new ATOM 0 HG3 LYS A 36 -5.898 -10.605 -6.611 1.00 0.64 H new ATOM 0 HD2 LYS A 36 -7.166 -10.423 -8.622 1.00 0.70 H new ATOM 0 HD3 LYS A 36 -7.359 -8.887 -7.800 1.00 0.70 H new ATOM 0 HE2 LYS A 36 -5.614 -7.870 -9.222 1.00 1.57 H new ATOM 0 HE3 LYS A 36 -5.317 -9.412 -10.001 1.00 1.57 H new ATOM 0 HZ1 LYS A 36 -6.744 -8.013 -11.340 1.00 2.38 H new ATOM 0 HZ2 LYS A 36 -7.593 -9.396 -10.837 1.00 2.38 H new ATOM 0 HZ3 LYS A 36 -7.880 -7.902 -10.083 1.00 2.38 H new ATOM 561 N PRO A 37 -6.649 -9.938 -3.753 1.00 0.17 N ATOM 562 CA PRO A 37 -6.656 -11.132 -2.907 1.00 0.21 C ATOM 563 C PRO A 37 -6.589 -12.418 -3.724 1.00 0.27 C ATOM 564 O PRO A 37 -7.376 -12.619 -4.650 1.00 0.35 O ATOM 565 CB PRO A 37 -7.990 -11.039 -2.154 1.00 0.24 C ATOM 566 CG PRO A 37 -8.495 -9.658 -2.405 1.00 0.23 C ATOM 567 CD PRO A 37 -7.945 -9.259 -3.741 1.00 0.18 C ATOM 0 HA PRO A 37 -5.788 -11.167 -2.248 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -8.697 -11.787 -2.514 1.00 0.24 H new ATOM 0 HB3 PRO A 37 -7.852 -11.218 -1.088 1.00 0.24 H new ATOM 0 HG2 PRO A 37 -9.585 -9.635 -2.408 1.00 0.23 H new ATOM 0 HG3 PRO A 37 -8.163 -8.973 -1.625 1.00 0.23 H new ATOM 0 HD2 PRO A 37 -8.585 -9.587 -4.560 1.00 0.18 H new ATOM 0 HD3 PRO A 37 -7.840 -8.178 -3.832 1.00 0.18 H new ATOM 575 N THR A 38 -5.637 -13.279 -3.381 1.00 0.31 N ATOM 576 CA THR A 38 -5.493 -14.566 -4.049 1.00 0.38 C ATOM 577 C THR A 38 -6.539 -15.536 -3.526 1.00 0.44 C ATOM 578 O THR A 38 -7.103 -16.337 -4.271 1.00 0.54 O ATOM 579 CB THR A 38 -4.092 -15.165 -3.822 1.00 0.48 C ATOM 580 OG1 THR A 38 -3.870 -15.392 -2.421 1.00 0.86 O ATOM 581 CG2 THR A 38 -3.019 -14.238 -4.357 1.00 0.78 C ATOM 0 H THR A 38 -4.953 -13.108 -2.644 1.00 0.31 H new ATOM 0 HA THR A 38 -5.631 -14.404 -5.118 1.00 0.38 H new ATOM 0 HB THR A 38 -4.039 -16.113 -4.357 1.00 0.48 H new ATOM 0 HG1 THR A 38 -3.656 -14.542 -1.982 1.00 0.86 H new ATOM 0 HG21 THR A 38 -2.038 -14.681 -4.186 1.00 0.78 H new ATOM 0 HG22 THR A 38 -3.168 -14.088 -5.426 1.00 0.78 H new ATOM 0 HG23 THR A 38 -3.078 -13.278 -3.844 1.00 0.78 H new ATOM 589 N LYS A 39 -6.782 -15.449 -2.229 1.00 0.48 N ATOM 590 CA LYS A 39 -7.795 -16.252 -1.579 1.00 0.63 C ATOM 591 C LYS A 39 -9.075 -15.445 -1.468 1.00 0.58 C ATOM 592 O LYS A 39 -9.089 -14.254 -1.786 1.00 0.54 O ATOM 593 CB LYS A 39 -7.321 -16.669 -0.190 1.00 0.78 C ATOM 594 CG LYS A 39 -5.921 -17.257 -0.178 1.00 0.93 C ATOM 595 CD LYS A 39 -5.828 -18.517 -1.023 1.00 1.09 C ATOM 596 CE LYS A 39 -4.406 -19.051 -1.063 1.00 1.65 C ATOM 597 NZ LYS A 39 -3.454 -18.065 -1.640 1.00 2.16 N ATOM 0 H LYS A 39 -6.282 -14.820 -1.601 1.00 0.48 H new ATOM 0 HA LYS A 39 -7.979 -17.150 -2.169 1.00 0.63 H new ATOM 0 HB2 LYS A 39 -7.348 -15.802 0.470 1.00 0.78 H new ATOM 0 HB3 LYS A 39 -8.017 -17.401 0.218 1.00 0.78 H new ATOM 0 HG2 LYS A 39 -5.213 -16.517 -0.551 1.00 0.93 H new ATOM 0 HG3 LYS A 39 -5.632 -17.486 0.848 1.00 0.93 H new ATOM 0 HD2 LYS A 39 -6.494 -19.279 -0.618 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -6.167 -18.304 -2.037 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -4.089 -19.312 -0.053 1.00 1.65 H new ATOM 0 HE3 LYS A 39 -4.380 -19.967 -1.653 1.00 1.65 H new ATOM 0 HZ1 LYS A 39 -2.931 -18.505 -2.424 1.00 2.16 H new ATOM 0 HZ2 LYS A 39 -3.980 -17.241 -1.994 1.00 2.16 H new ATOM 0 HZ3 LYS A 39 -2.784 -17.759 -0.906 1.00 2.16 H new ATOM 611 N GLU A 40 -10.146 -16.082 -1.035 1.00 0.66 N ATOM 612 CA GLU A 40 -11.381 -15.369 -0.781 1.00 0.64 C ATOM 613 C GLU A 40 -11.228 -14.482 0.437 1.00 0.57 C ATOM 614 O GLU A 40 -10.717 -14.904 1.474 1.00 0.62 O ATOM 615 CB GLU A 40 -12.541 -16.341 -0.606 1.00 0.76 C ATOM 616 CG GLU A 40 -13.064 -16.880 -1.924 1.00 1.44 C ATOM 617 CD GLU A 40 -13.720 -15.800 -2.762 1.00 1.86 C ATOM 618 OE1 GLU A 40 -13.003 -15.064 -3.471 1.00 2.08 O ATOM 619 OE2 GLU A 40 -14.959 -15.679 -2.713 1.00 2.42 O ATOM 0 H GLU A 40 -10.186 -17.085 -0.853 1.00 0.66 H new ATOM 0 HA GLU A 40 -11.604 -14.739 -1.642 1.00 0.64 H new ATOM 0 HB2 GLU A 40 -12.219 -17.174 0.019 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -13.352 -15.840 -0.077 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -12.242 -17.324 -2.485 1.00 1.44 H new ATOM 0 HG3 GLU A 40 -13.784 -17.675 -1.730 1.00 1.44 H new ATOM 626 N VAL A 41 -11.674 -13.253 0.292 1.00 0.53 N ATOM 627 CA VAL A 41 -11.481 -12.239 1.308 1.00 0.49 C ATOM 628 C VAL A 41 -12.514 -12.366 2.414 1.00 0.51 C ATOM 629 O VAL A 41 -13.693 -12.624 2.151 1.00 0.54 O ATOM 630 CB VAL A 41 -11.535 -10.820 0.704 1.00 0.53 C ATOM 631 CG1 VAL A 41 -10.142 -10.226 0.646 1.00 0.73 C ATOM 632 CG2 VAL A 41 -12.152 -10.845 -0.689 1.00 0.69 C ATOM 0 H VAL A 41 -12.180 -12.928 -0.532 1.00 0.53 H new ATOM 0 HA VAL A 41 -10.490 -12.398 1.734 1.00 0.49 H new ATOM 0 HB VAL A 41 -12.162 -10.199 1.344 1.00 0.53 H new ATOM 0 HG11 VAL A 41 -10.191 -9.225 0.218 1.00 0.73 H new ATOM 0 HG12 VAL A 41 -9.728 -10.171 1.653 1.00 0.73 H new ATOM 0 HG13 VAL A 41 -9.504 -10.855 0.025 1.00 0.73 H new ATOM 0 HG21 VAL A 41 -12.179 -9.833 -1.093 1.00 0.69 H new ATOM 0 HG22 VAL A 41 -11.553 -11.480 -1.341 1.00 0.69 H new ATOM 0 HG23 VAL A 41 -13.166 -11.239 -0.631 1.00 0.69 H new ATOM 642 N PRO A 42 -12.054 -12.218 3.671 1.00 0.55 N ATOM 643 CA PRO A 42 -12.903 -12.317 4.860 1.00 0.62 C ATOM 644 C PRO A 42 -14.170 -11.484 4.725 1.00 0.63 C ATOM 645 O PRO A 42 -14.107 -10.260 4.613 1.00 0.64 O ATOM 646 CB PRO A 42 -12.014 -11.745 5.960 1.00 0.68 C ATOM 647 CG PRO A 42 -10.623 -12.013 5.510 1.00 0.65 C ATOM 648 CD PRO A 42 -10.648 -11.946 4.016 1.00 0.58 C ATOM 0 HA PRO A 42 -13.243 -13.336 5.045 1.00 0.62 H new ATOM 0 HB2 PRO A 42 -12.187 -10.677 6.092 1.00 0.68 H new ATOM 0 HB3 PRO A 42 -12.217 -12.221 6.919 1.00 0.68 H new ATOM 0 HG2 PRO A 42 -9.932 -11.277 5.921 1.00 0.65 H new ATOM 0 HG3 PRO A 42 -10.285 -12.992 5.850 1.00 0.65 H new ATOM 0 HD2 PRO A 42 -10.330 -10.968 3.655 1.00 0.58 H new ATOM 0 HD3 PRO A 42 -9.978 -12.683 3.572 1.00 0.58 H new ATOM 656 N GLU A 43 -15.312 -12.153 4.787 1.00 0.69 N ATOM 657 CA GLU A 43 -16.588 -11.540 4.508 1.00 0.75 C ATOM 658 C GLU A 43 -16.976 -10.536 5.589 1.00 0.81 C ATOM 659 O GLU A 43 -17.532 -9.477 5.297 1.00 0.83 O ATOM 660 CB GLU A 43 -17.631 -12.635 4.397 1.00 0.85 C ATOM 661 CG GLU A 43 -18.965 -12.155 3.887 1.00 1.21 C ATOM 662 CD GLU A 43 -18.875 -11.539 2.505 1.00 1.68 C ATOM 663 OE1 GLU A 43 -18.935 -10.295 2.397 1.00 2.28 O ATOM 664 OE2 GLU A 43 -18.737 -12.297 1.522 1.00 1.87 O ATOM 0 H GLU A 43 -15.372 -13.141 5.034 1.00 0.69 H new ATOM 0 HA GLU A 43 -16.523 -10.987 3.571 1.00 0.75 H new ATOM 0 HB2 GLU A 43 -17.257 -13.414 3.732 1.00 0.85 H new ATOM 0 HB3 GLU A 43 -17.770 -13.092 5.377 1.00 0.85 H new ATOM 0 HG2 GLU A 43 -19.663 -12.992 3.863 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -19.372 -11.421 4.582 1.00 1.21 H new ATOM 671 N PHE A 44 -16.658 -10.858 6.835 1.00 0.86 N ATOM 672 CA PHE A 44 -17.038 -10.004 7.953 1.00 0.97 C ATOM 673 C PHE A 44 -16.220 -8.717 7.970 1.00 0.96 C ATOM 674 O PHE A 44 -16.660 -7.697 8.498 1.00 1.02 O ATOM 675 CB PHE A 44 -16.889 -10.747 9.277 1.00 1.11 C ATOM 676 CG PHE A 44 -17.744 -11.978 9.363 1.00 1.69 C ATOM 677 CD1 PHE A 44 -17.189 -13.236 9.201 1.00 2.33 C ATOM 678 CD2 PHE A 44 -19.101 -11.876 9.611 1.00 1.86 C ATOM 679 CE1 PHE A 44 -17.972 -14.370 9.288 1.00 3.18 C ATOM 680 CE2 PHE A 44 -19.891 -13.006 9.697 1.00 2.66 C ATOM 681 CZ PHE A 44 -19.326 -14.255 9.505 1.00 3.34 C ATOM 0 H PHE A 44 -16.142 -11.698 7.097 1.00 0.86 H new ATOM 0 HA PHE A 44 -18.086 -9.736 7.822 1.00 0.97 H new ATOM 0 HB2 PHE A 44 -15.845 -11.027 9.413 1.00 1.11 H new ATOM 0 HB3 PHE A 44 -17.148 -10.075 10.095 1.00 1.11 H new ATOM 0 HD1 PHE A 44 -16.131 -13.331 9.004 1.00 2.33 H new ATOM 0 HD2 PHE A 44 -19.548 -10.901 9.739 1.00 1.86 H new ATOM 0 HE1 PHE A 44 -17.522 -15.346 9.186 1.00 3.18 H new ATOM 0 HE2 PHE A 44 -20.945 -12.915 9.913 1.00 2.66 H new ATOM 0 HZ PHE A 44 -19.947 -15.138 9.525 1.00 3.34 H new ATOM 691 N LYS A 45 -15.032 -8.762 7.377 1.00 0.90 N ATOM 692 CA LYS A 45 -14.188 -7.580 7.267 1.00 0.93 C ATOM 693 C LYS A 45 -14.802 -6.547 6.331 1.00 0.89 C ATOM 694 O LYS A 45 -14.432 -5.378 6.357 1.00 0.98 O ATOM 695 CB LYS A 45 -12.787 -7.963 6.796 1.00 0.94 C ATOM 696 CG LYS A 45 -11.862 -8.367 7.931 1.00 1.07 C ATOM 697 CD LYS A 45 -12.371 -9.584 8.686 1.00 1.09 C ATOM 698 CE LYS A 45 -11.503 -9.882 9.897 1.00 1.27 C ATOM 699 NZ LYS A 45 -12.009 -11.042 10.674 1.00 1.94 N ATOM 0 H LYS A 45 -14.632 -9.605 6.965 1.00 0.90 H new ATOM 0 HA LYS A 45 -14.112 -7.131 8.257 1.00 0.93 H new ATOM 0 HB2 LYS A 45 -12.862 -8.787 6.087 1.00 0.94 H new ATOM 0 HB3 LYS A 45 -12.348 -7.121 6.261 1.00 0.94 H new ATOM 0 HG2 LYS A 45 -10.871 -8.579 7.531 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -11.754 -7.532 8.623 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -13.399 -9.413 9.005 1.00 1.09 H new ATOM 0 HD3 LYS A 45 -12.383 -10.448 8.022 1.00 1.09 H new ATOM 0 HE2 LYS A 45 -10.482 -10.082 9.571 1.00 1.27 H new ATOM 0 HE3 LYS A 45 -11.465 -9.003 10.541 1.00 1.27 H new ATOM 0 HZ1 LYS A 45 -11.388 -11.210 11.491 1.00 1.94 H new ATOM 0 HZ2 LYS A 45 -12.973 -10.842 11.008 1.00 1.94 H new ATOM 0 HZ3 LYS A 45 -12.021 -11.887 10.068 1.00 1.94 H new ATOM 713 N PHE A 46 -15.741 -6.984 5.508 1.00 0.79 N ATOM 714 CA PHE A 46 -16.464 -6.076 4.630 1.00 0.78 C ATOM 715 C PHE A 46 -17.555 -5.349 5.401 1.00 0.83 C ATOM 716 O PHE A 46 -17.626 -4.121 5.391 1.00 0.93 O ATOM 717 CB PHE A 46 -17.095 -6.834 3.463 1.00 0.74 C ATOM 718 CG PHE A 46 -16.106 -7.363 2.467 1.00 0.65 C ATOM 719 CD1 PHE A 46 -15.615 -8.646 2.582 1.00 0.72 C ATOM 720 CD2 PHE A 46 -15.679 -6.580 1.411 1.00 0.64 C ATOM 721 CE1 PHE A 46 -14.712 -9.145 1.665 1.00 0.66 C ATOM 722 CE2 PHE A 46 -14.775 -7.069 0.489 1.00 0.58 C ATOM 723 CZ PHE A 46 -14.291 -8.354 0.616 1.00 0.54 C ATOM 0 H PHE A 46 -16.021 -7.962 5.429 1.00 0.79 H new ATOM 0 HA PHE A 46 -15.749 -5.352 4.239 1.00 0.78 H new ATOM 0 HB2 PHE A 46 -17.677 -7.667 3.858 1.00 0.74 H new ATOM 0 HB3 PHE A 46 -17.793 -6.172 2.949 1.00 0.74 H new ATOM 0 HD1 PHE A 46 -15.941 -9.270 3.401 1.00 0.72 H new ATOM 0 HD2 PHE A 46 -16.057 -5.574 1.306 1.00 0.64 H new ATOM 0 HE1 PHE A 46 -14.336 -10.152 1.768 1.00 0.66 H new ATOM 0 HE2 PHE A 46 -14.448 -6.446 -0.330 1.00 0.58 H new ATOM 0 HZ PHE A 46 -13.584 -8.740 -0.104 1.00 0.54 H new ATOM 733 N VAL A 47 -18.382 -6.120 6.095 1.00 0.81 N ATOM 734 CA VAL A 47 -19.549 -5.581 6.776 1.00 0.88 C ATOM 735 C VAL A 47 -19.153 -4.730 7.978 1.00 0.87 C ATOM 736 O VAL A 47 -19.732 -3.670 8.213 1.00 0.92 O ATOM 737 CB VAL A 47 -20.512 -6.710 7.214 1.00 0.97 C ATOM 738 CG1 VAL A 47 -19.817 -7.700 8.137 1.00 0.98 C ATOM 739 CG2 VAL A 47 -21.746 -6.125 7.874 1.00 1.07 C ATOM 0 H VAL A 47 -18.264 -7.128 6.201 1.00 0.81 H new ATOM 0 HA VAL A 47 -20.068 -4.940 6.063 1.00 0.88 H new ATOM 0 HB VAL A 47 -20.824 -7.256 6.323 1.00 0.97 H new ATOM 0 HG11 VAL A 47 -20.519 -8.481 8.428 1.00 0.98 H new ATOM 0 HG12 VAL A 47 -18.970 -8.148 7.618 1.00 0.98 H new ATOM 0 HG13 VAL A 47 -19.463 -7.181 9.028 1.00 0.98 H new ATOM 0 HG21 VAL A 47 -22.414 -6.932 8.177 1.00 1.07 H new ATOM 0 HG22 VAL A 47 -21.451 -5.550 8.752 1.00 1.07 H new ATOM 0 HG23 VAL A 47 -22.261 -5.473 7.169 1.00 1.07 H new ATOM 749 N ASN A 48 -18.145 -5.175 8.719 1.00 0.86 N ATOM 750 CA ASN A 48 -17.719 -4.463 9.915 1.00 0.90 C ATOM 751 C ASN A 48 -16.987 -3.180 9.537 1.00 0.82 C ATOM 752 O ASN A 48 -17.002 -2.194 10.275 1.00 0.91 O ATOM 753 CB ASN A 48 -16.821 -5.349 10.782 1.00 0.96 C ATOM 754 CG ASN A 48 -16.441 -4.687 12.095 1.00 1.07 C ATOM 755 OD1 ASN A 48 -17.210 -3.906 12.657 1.00 1.50 O ATOM 756 ND2 ASN A 48 -15.255 -4.994 12.592 1.00 1.66 N ATOM 0 H ASN A 48 -17.611 -6.020 8.514 1.00 0.86 H new ATOM 0 HA ASN A 48 -18.607 -4.203 10.492 1.00 0.90 H new ATOM 0 HB2 ASN A 48 -17.334 -6.289 10.988 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -15.915 -5.595 10.228 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -14.948 -4.579 13.472 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -14.647 -5.646 12.096 1.00 1.66 H new ATOM 763 N ARG A 49 -16.363 -3.195 8.370 1.00 0.69 N ATOM 764 CA ARG A 49 -15.652 -2.030 7.874 1.00 0.63 C ATOM 765 C ARG A 49 -16.624 -1.089 7.176 1.00 0.58 C ATOM 766 O ARG A 49 -16.331 0.088 6.985 1.00 0.57 O ATOM 767 CB ARG A 49 -14.567 -2.454 6.881 1.00 0.59 C ATOM 768 CG ARG A 49 -13.429 -1.467 6.740 1.00 0.92 C ATOM 769 CD ARG A 49 -12.347 -1.734 7.771 1.00 1.01 C ATOM 770 NE ARG A 49 -11.639 -2.991 7.509 1.00 1.28 N ATOM 771 CZ ARG A 49 -10.317 -3.092 7.329 1.00 1.45 C ATOM 772 NH1 ARG A 49 -9.538 -2.021 7.394 1.00 1.66 N ATOM 773 NH2 ARG A 49 -9.767 -4.276 7.089 1.00 2.00 N ATOM 0 H ARG A 49 -16.335 -4.003 7.748 1.00 0.69 H new ATOM 0 HA ARG A 49 -15.189 -1.521 8.719 1.00 0.63 H new ATOM 0 HB2 ARG A 49 -14.161 -3.416 7.194 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -15.025 -2.604 5.903 1.00 0.59 H new ATOM 0 HG2 ARG A 49 -13.006 -1.535 5.738 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -13.807 -0.451 6.859 1.00 0.92 H new ATOM 0 HD2 ARG A 49 -11.634 -0.909 7.771 1.00 1.01 H new ATOM 0 HD3 ARG A 49 -12.793 -1.769 8.765 1.00 1.01 H new ATOM 0 HE ARG A 49 -12.192 -3.847 7.461 1.00 1.28 H new ATOM 0 HH11 ARG A 49 -9.945 -1.105 7.583 1.00 1.66 H new ATOM 0 HH12 ARG A 49 -8.532 -2.113 7.255 1.00 1.66 H new ATOM 0 HH21 ARG A 49 -10.352 -5.110 7.042 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -8.759 -4.352 6.952 1.00 2.00 H new ATOM 787 N ASN A 50 -17.781 -1.638 6.784 1.00 0.60 N ATOM 788 CA ASN A 50 -18.778 -0.913 5.986 1.00 0.63 C ATOM 789 C ASN A 50 -18.239 -0.694 4.570 1.00 0.54 C ATOM 790 O ASN A 50 -18.846 -0.021 3.739 1.00 0.61 O ATOM 791 CB ASN A 50 -19.154 0.418 6.670 1.00 0.71 C ATOM 792 CG ASN A 50 -20.196 1.229 5.918 1.00 1.46 C ATOM 793 OD1 ASN A 50 -19.860 2.113 5.127 1.00 2.26 O ATOM 794 ND2 ASN A 50 -21.464 0.942 6.159 1.00 2.05 N ATOM 0 H ASN A 50 -18.052 -2.595 7.010 1.00 0.60 H new ATOM 0 HA ASN A 50 -19.690 -1.506 5.914 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -19.527 0.206 7.672 1.00 0.71 H new ATOM 0 HB3 ASN A 50 -18.254 1.021 6.786 1.00 0.71 H new ATOM 0 HD21 ASN A 50 -22.203 1.459 5.683 1.00 2.05 H new ATOM 0 HD22 ASN A 50 -21.703 0.203 6.821 1.00 2.05 H new ATOM 801 N GLY A 51 -17.098 -1.316 4.298 1.00 0.46 N ATOM 802 CA GLY A 51 -16.407 -1.119 3.041 1.00 0.41 C ATOM 803 C GLY A 51 -15.594 0.159 3.041 1.00 0.33 C ATOM 804 O GLY A 51 -14.746 0.368 2.178 1.00 0.34 O ATOM 0 H GLY A 51 -16.635 -1.962 4.937 1.00 0.46 H new ATOM 0 HA2 GLY A 51 -15.750 -1.968 2.850 1.00 0.41 H new ATOM 0 HA3 GLY A 51 -17.133 -1.088 2.228 1.00 0.41 H new ATOM 808 N LYS A 52 -15.853 1.005 4.026 1.00 0.29 N ATOM 809 CA LYS A 52 -15.189 2.293 4.143 1.00 0.29 C ATOM 810 C LYS A 52 -14.190 2.283 5.288 1.00 0.30 C ATOM 811 O LYS A 52 -14.546 1.980 6.426 1.00 0.36 O ATOM 812 CB LYS A 52 -16.221 3.398 4.363 1.00 0.34 C ATOM 813 CG LYS A 52 -17.101 3.660 3.159 1.00 1.14 C ATOM 814 CD LYS A 52 -18.053 4.808 3.427 1.00 1.28 C ATOM 815 CE LYS A 52 -17.326 6.142 3.541 1.00 1.67 C ATOM 816 NZ LYS A 52 -16.554 6.472 2.316 1.00 2.43 N ATOM 0 H LYS A 52 -16.529 0.818 4.766 1.00 0.29 H new ATOM 0 HA LYS A 52 -14.650 2.485 3.215 1.00 0.29 H new ATOM 0 HB2 LYS A 52 -16.851 3.130 5.211 1.00 0.34 H new ATOM 0 HB3 LYS A 52 -15.702 4.319 4.630 1.00 0.34 H new ATOM 0 HG2 LYS A 52 -16.481 3.891 2.293 1.00 1.14 H new ATOM 0 HG3 LYS A 52 -17.668 2.761 2.915 1.00 1.14 H new ATOM 0 HD2 LYS A 52 -18.788 4.864 2.624 1.00 1.28 H new ATOM 0 HD3 LYS A 52 -18.602 4.615 4.349 1.00 1.28 H new ATOM 0 HE2 LYS A 52 -18.051 6.933 3.734 1.00 1.67 H new ATOM 0 HE3 LYS A 52 -16.651 6.113 4.396 1.00 1.67 H new ATOM 0 HZ1 LYS A 52 -16.305 7.482 2.324 1.00 2.43 H new ATOM 0 HZ2 LYS A 52 -15.685 5.901 2.289 1.00 2.43 H new ATOM 0 HZ3 LYS A 52 -17.131 6.264 1.476 1.00 2.43 H new ATOM 830 N ASN A 53 -12.947 2.613 5.005 1.00 0.30 N ATOM 831 CA ASN A 53 -11.962 2.730 6.065 1.00 0.34 C ATOM 832 C ASN A 53 -10.934 3.797 5.746 1.00 0.27 C ATOM 833 O ASN A 53 -10.213 3.706 4.753 1.00 0.24 O ATOM 834 CB ASN A 53 -11.258 1.394 6.294 1.00 0.43 C ATOM 835 CG ASN A 53 -10.321 1.418 7.491 1.00 1.14 C ATOM 836 OD1 ASN A 53 -9.286 0.755 7.493 1.00 1.72 O ATOM 837 ND2 ASN A 53 -10.687 2.152 8.532 1.00 2.05 N ATOM 0 H ASN A 53 -12.596 2.803 4.066 1.00 0.30 H new ATOM 0 HA ASN A 53 -12.491 3.019 6.973 1.00 0.34 H new ATOM 0 HB2 ASN A 53 -12.006 0.615 6.440 1.00 0.43 H new ATOM 0 HB3 ASN A 53 -10.692 1.129 5.401 1.00 0.43 H new ATOM 0 HD21 ASN A 53 -10.103 2.178 9.368 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -11.553 2.691 8.497 1.00 2.05 H new ATOM 844 N GLU A 54 -10.871 4.802 6.601 1.00 0.30 N ATOM 845 CA GLU A 54 -9.851 5.823 6.495 1.00 0.28 C ATOM 846 C GLU A 54 -8.589 5.350 7.190 1.00 0.28 C ATOM 847 O GLU A 54 -8.576 5.097 8.396 1.00 0.40 O ATOM 848 CB GLU A 54 -10.337 7.139 7.093 1.00 0.33 C ATOM 849 CG GLU A 54 -11.388 7.832 6.245 1.00 0.35 C ATOM 850 CD GLU A 54 -11.984 9.040 6.939 1.00 0.87 C ATOM 851 OE1 GLU A 54 -13.225 9.125 7.047 1.00 1.15 O ATOM 852 OE2 GLU A 54 -11.208 9.920 7.371 1.00 1.47 O ATOM 0 H GLU A 54 -11.518 4.931 7.379 1.00 0.30 H new ATOM 0 HA GLU A 54 -9.633 5.999 5.442 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -10.747 6.950 8.085 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -9.486 7.808 7.222 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -10.942 8.142 5.300 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -12.182 7.125 6.006 1.00 0.35 H new ATOM 859 N LEU A 55 -7.536 5.240 6.409 1.00 0.21 N ATOM 860 CA LEU A 55 -6.275 4.682 6.859 1.00 0.22 C ATOM 861 C LEU A 55 -5.475 5.695 7.651 1.00 0.24 C ATOM 862 O LEU A 55 -5.209 5.515 8.836 1.00 0.32 O ATOM 863 CB LEU A 55 -5.463 4.249 5.645 1.00 0.21 C ATOM 864 CG LEU A 55 -5.733 2.842 5.139 1.00 0.20 C ATOM 865 CD1 LEU A 55 -5.105 2.659 3.772 1.00 0.45 C ATOM 866 CD2 LEU A 55 -5.184 1.822 6.122 1.00 0.54 C ATOM 0 H LEU A 55 -7.529 5.538 5.434 1.00 0.21 H new ATOM 0 HA LEU A 55 -6.487 3.831 7.506 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -5.656 4.950 4.833 1.00 0.21 H new ATOM 0 HB3 LEU A 55 -4.404 4.330 5.891 1.00 0.21 H new ATOM 0 HG LEU A 55 -6.809 2.691 5.051 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -5.301 1.649 3.414 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -5.532 3.380 3.076 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -4.029 2.816 3.842 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -5.382 0.816 5.751 1.00 0.54 H new ATOM 0 HD22 LEU A 55 -4.109 1.964 6.231 1.00 0.54 H new ATOM 0 HD23 LEU A 55 -5.667 1.953 7.090 1.00 0.54 H new ATOM 878 N ILE A 56 -5.098 6.757 6.981 1.00 0.21 N ATOM 879 CA ILE A 56 -4.254 7.770 7.569 1.00 0.22 C ATOM 880 C ILE A 56 -4.732 9.137 7.101 1.00 0.22 C ATOM 881 O ILE A 56 -5.220 9.264 5.978 1.00 0.22 O ATOM 882 CB ILE A 56 -2.784 7.525 7.171 1.00 0.21 C ATOM 883 CG1 ILE A 56 -1.841 8.377 8.019 1.00 0.23 C ATOM 884 CG2 ILE A 56 -2.584 7.826 5.694 1.00 0.18 C ATOM 885 CD1 ILE A 56 -0.401 7.917 7.967 1.00 0.25 C ATOM 0 H ILE A 56 -5.367 6.944 6.015 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.315 7.728 8.656 1.00 0.22 H new ATOM 0 HB ILE A 56 -2.550 6.476 7.353 1.00 0.21 H new ATOM 0 HG12 ILE A 56 -1.896 9.412 7.681 1.00 0.23 H new ATOM 0 HG13 ILE A 56 -2.182 8.361 9.054 1.00 0.23 H new ATOM 0 HG21 ILE A 56 -1.543 7.650 5.424 1.00 0.18 H new ATOM 0 HG22 ILE A 56 -3.228 7.177 5.100 1.00 0.18 H new ATOM 0 HG23 ILE A 56 -2.838 8.868 5.497 1.00 0.18 H new ATOM 0 HD11 ILE A 56 0.211 8.567 8.592 1.00 0.25 H new ATOM 0 HD12 ILE A 56 -0.333 6.893 8.333 1.00 0.25 H new ATOM 0 HD13 ILE A 56 -0.042 7.959 6.939 1.00 0.25 H new ATOM 897 N ARG A 57 -4.618 10.152 7.942 1.00 0.26 N ATOM 898 CA ARG A 57 -5.250 11.426 7.640 1.00 0.27 C ATOM 899 C ARG A 57 -4.316 12.611 7.868 1.00 0.29 C ATOM 900 O ARG A 57 -3.221 12.463 8.410 1.00 0.34 O ATOM 901 CB ARG A 57 -6.526 11.580 8.475 1.00 0.37 C ATOM 902 CG ARG A 57 -6.276 11.746 9.967 1.00 0.49 C ATOM 903 CD ARG A 57 -6.485 13.185 10.400 1.00 0.88 C ATOM 904 NE ARG A 57 -6.091 13.415 11.785 1.00 1.34 N ATOM 905 CZ ARG A 57 -6.057 14.619 12.355 1.00 1.83 C ATOM 906 NH1 ARG A 57 -6.378 15.702 11.655 1.00 1.96 N ATOM 907 NH2 ARG A 57 -5.699 14.743 13.626 1.00 2.23 N ATOM 0 H ARG A 57 -4.104 10.122 8.823 1.00 0.26 H new ATOM 0 HA ARG A 57 -5.502 11.425 6.580 1.00 0.27 H new ATOM 0 HB2 ARG A 57 -7.083 12.444 8.112 1.00 0.37 H new ATOM 0 HB3 ARG A 57 -7.158 10.706 8.318 1.00 0.37 H new ATOM 0 HG2 ARG A 57 -6.947 11.094 10.526 1.00 0.49 H new ATOM 0 HG3 ARG A 57 -5.259 11.436 10.205 1.00 0.49 H new ATOM 0 HD2 ARG A 57 -5.911 13.844 9.748 1.00 0.88 H new ATOM 0 HD3 ARG A 57 -7.535 13.449 10.276 1.00 0.88 H new ATOM 0 HE ARG A 57 -5.826 12.608 12.350 1.00 1.34 H new ATOM 0 HH11 ARG A 57 -6.652 15.614 10.676 1.00 1.96 H new ATOM 0 HH12 ARG A 57 -6.350 16.621 12.096 1.00 1.96 H new ATOM 0 HH21 ARG A 57 -5.449 13.916 14.168 1.00 2.23 H new ATOM 0 HH22 ARG A 57 -5.673 15.665 14.061 1.00 2.23 H new ATOM 921 N ASN A 58 -4.788 13.784 7.436 1.00 0.30 N ATOM 922 CA ASN A 58 -4.078 15.052 7.570 1.00 0.33 C ATOM 923 C ASN A 58 -2.810 15.051 6.718 1.00 0.31 C ATOM 924 O ASN A 58 -1.761 15.559 7.117 1.00 0.33 O ATOM 925 CB ASN A 58 -3.764 15.343 9.042 1.00 0.39 C ATOM 926 CG ASN A 58 -3.220 16.745 9.280 1.00 0.46 C ATOM 927 OD1 ASN A 58 -2.367 16.950 10.145 1.00 1.01 O ATOM 928 ND2 ASN A 58 -3.730 17.725 8.543 1.00 1.40 N ATOM 0 H ASN A 58 -5.693 13.877 6.975 1.00 0.30 H new ATOM 0 HA ASN A 58 -4.723 15.851 7.205 1.00 0.33 H new ATOM 0 HB2 ASN A 58 -4.670 15.208 9.632 1.00 0.39 H new ATOM 0 HB3 ASN A 58 -3.038 14.614 9.402 1.00 0.39 H new ATOM 0 HD21 ASN A 58 -3.417 18.685 8.684 1.00 1.40 H new ATOM 0 HD22 ASN A 58 -4.435 17.517 7.836 1.00 1.40 H new ATOM 935 N LEU A 59 -2.934 14.497 5.517 1.00 0.28 N ATOM 936 CA LEU A 59 -1.824 14.426 4.574 1.00 0.27 C ATOM 937 C LEU A 59 -1.411 15.828 4.127 1.00 0.33 C ATOM 938 O LEU A 59 -0.312 16.038 3.613 1.00 0.33 O ATOM 939 CB LEU A 59 -2.222 13.580 3.364 1.00 0.24 C ATOM 940 CG LEU A 59 -2.807 12.204 3.699 1.00 0.20 C ATOM 941 CD1 LEU A 59 -3.072 11.406 2.435 1.00 0.19 C ATOM 942 CD2 LEU A 59 -1.883 11.433 4.623 1.00 0.20 C ATOM 0 H LEU A 59 -3.801 14.087 5.171 1.00 0.28 H new ATOM 0 HA LEU A 59 -0.973 13.958 5.069 1.00 0.27 H new ATOM 0 HB2 LEU A 59 -2.953 14.135 2.776 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -1.344 13.441 2.733 1.00 0.24 H new ATOM 0 HG LEU A 59 -3.755 12.362 4.213 1.00 0.20 H new ATOM 0 HD11 LEU A 59 -3.487 10.433 2.699 1.00 0.19 H new ATOM 0 HD12 LEU A 59 -3.781 11.945 1.807 1.00 0.19 H new ATOM 0 HD13 LEU A 59 -2.138 11.266 1.890 1.00 0.19 H new ATOM 0 HD21 LEU A 59 -2.321 10.460 4.846 1.00 0.20 H new ATOM 0 HD22 LEU A 59 -0.917 11.294 4.138 1.00 0.20 H new ATOM 0 HD23 LEU A 59 -1.747 11.991 5.550 1.00 0.20 H new ATOM 954 N GLN A 60 -2.315 16.783 4.323 1.00 0.40 N ATOM 955 CA GLN A 60 -2.053 18.189 4.035 1.00 0.49 C ATOM 956 C GLN A 60 -0.832 18.693 4.790 1.00 0.51 C ATOM 957 O GLN A 60 0.047 19.350 4.231 1.00 0.53 O ATOM 958 CB GLN A 60 -3.236 19.022 4.483 1.00 0.62 C ATOM 959 CG GLN A 60 -3.161 20.473 4.045 1.00 0.81 C ATOM 960 CD GLN A 60 -4.155 21.354 4.767 1.00 1.00 C ATOM 961 OE1 GLN A 60 -4.511 21.098 5.917 1.00 1.76 O ATOM 962 NE2 GLN A 60 -4.616 22.392 4.093 1.00 1.27 N ATOM 0 H GLN A 60 -3.251 16.603 4.686 1.00 0.40 H new ATOM 0 HA GLN A 60 -1.882 18.278 2.962 1.00 0.49 H new ATOM 0 HB2 GLN A 60 -4.151 18.579 4.089 1.00 0.62 H new ATOM 0 HB3 GLN A 60 -3.306 18.983 5.570 1.00 0.62 H new ATOM 0 HG2 GLN A 60 -2.153 20.850 4.221 1.00 0.81 H new ATOM 0 HG3 GLN A 60 -3.341 20.534 2.972 1.00 0.81 H new ATOM 0 HE21 GLN A 60 -4.293 22.566 3.141 1.00 1.27 H new ATOM 0 HE22 GLN A 60 -5.295 23.019 4.524 1.00 1.27 H new ATOM 971 N SER A 61 -0.791 18.363 6.066 1.00 0.53 N ATOM 972 CA SER A 61 0.203 18.902 6.968 1.00 0.60 C ATOM 973 C SER A 61 1.482 18.076 6.942 1.00 0.48 C ATOM 974 O SER A 61 2.515 18.494 7.466 1.00 0.56 O ATOM 975 CB SER A 61 -0.384 18.950 8.372 1.00 0.79 C ATOM 976 OG SER A 61 -1.462 19.872 8.443 1.00 1.59 O ATOM 0 H SER A 61 -1.445 17.715 6.504 1.00 0.53 H new ATOM 0 HA SER A 61 0.468 19.909 6.647 1.00 0.60 H new ATOM 0 HB2 SER A 61 -0.731 17.957 8.659 1.00 0.79 H new ATOM 0 HB3 SER A 61 0.390 19.235 9.084 1.00 0.79 H new ATOM 0 HG SER A 61 -1.823 19.883 9.354 1.00 1.59 H new ATOM 982 N ASP A 62 1.407 16.914 6.317 1.00 0.41 N ATOM 983 CA ASP A 62 2.564 16.040 6.187 1.00 0.41 C ATOM 984 C ASP A 62 2.346 15.042 5.062 1.00 0.36 C ATOM 985 O ASP A 62 1.417 14.237 5.106 1.00 0.33 O ATOM 986 CB ASP A 62 2.831 15.301 7.498 1.00 0.52 C ATOM 987 CG ASP A 62 4.111 14.493 7.449 1.00 1.18 C ATOM 988 OD1 ASP A 62 4.039 13.283 7.132 1.00 1.92 O ATOM 989 OD2 ASP A 62 5.188 15.050 7.724 1.00 1.41 O ATOM 0 H ASP A 62 0.555 16.551 5.890 1.00 0.41 H new ATOM 0 HA ASP A 62 3.433 16.654 5.952 1.00 0.41 H new ATOM 0 HB2 ASP A 62 2.889 16.021 8.314 1.00 0.52 H new ATOM 0 HB3 ASP A 62 1.993 14.639 7.717 1.00 0.52 H new ATOM 994 N LYS A 63 3.201 15.106 4.051 1.00 0.39 N ATOM 995 CA LYS A 63 3.065 14.248 2.883 1.00 0.40 C ATOM 996 C LYS A 63 3.519 12.839 3.193 1.00 0.33 C ATOM 997 O LYS A 63 3.016 11.873 2.626 1.00 0.30 O ATOM 998 CB LYS A 63 3.876 14.790 1.713 1.00 0.52 C ATOM 999 CG LYS A 63 5.368 14.910 1.982 1.00 1.06 C ATOM 1000 CD LYS A 63 6.177 14.912 0.692 1.00 1.18 C ATOM 1001 CE LYS A 63 5.569 15.819 -0.368 1.00 1.00 C ATOM 1002 NZ LYS A 63 5.464 17.233 0.085 1.00 1.68 N ATOM 0 H LYS A 63 3.996 15.744 4.016 1.00 0.39 H new ATOM 0 HA LYS A 63 2.010 14.232 2.610 1.00 0.40 H new ATOM 0 HB2 LYS A 63 3.726 14.140 0.851 1.00 0.52 H new ATOM 0 HB3 LYS A 63 3.488 15.772 1.442 1.00 0.52 H new ATOM 0 HG2 LYS A 63 5.565 15.828 2.536 1.00 1.06 H new ATOM 0 HG3 LYS A 63 5.691 14.082 2.613 1.00 1.06 H new ATOM 0 HD2 LYS A 63 7.195 15.237 0.905 1.00 1.18 H new ATOM 0 HD3 LYS A 63 6.241 13.895 0.304 1.00 1.18 H new ATOM 0 HE2 LYS A 63 6.177 15.774 -1.272 1.00 1.00 H new ATOM 0 HE3 LYS A 63 4.578 15.451 -0.632 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 5.662 17.869 -0.714 1.00 1.68 H new ATOM 0 HZ2 LYS A 63 4.504 17.413 0.441 1.00 1.68 H new ATOM 0 HZ3 LYS A 63 6.153 17.406 0.845 1.00 1.68 H new ATOM 1016 N LYS A 64 4.479 12.740 4.095 1.00 0.34 N ATOM 1017 CA LYS A 64 5.053 11.456 4.481 1.00 0.33 C ATOM 1018 C LYS A 64 3.991 10.526 5.058 1.00 0.27 C ATOM 1019 O LYS A 64 4.135 9.305 5.022 1.00 0.27 O ATOM 1020 CB LYS A 64 6.184 11.659 5.488 1.00 0.40 C ATOM 1021 CG LYS A 64 7.406 12.347 4.901 1.00 0.42 C ATOM 1022 CD LYS A 64 8.074 11.487 3.841 1.00 0.38 C ATOM 1023 CE LYS A 64 9.233 12.210 3.175 1.00 0.51 C ATOM 1024 NZ LYS A 64 10.280 12.611 4.151 1.00 1.07 N ATOM 0 H LYS A 64 4.883 13.541 4.580 1.00 0.34 H new ATOM 0 HA LYS A 64 5.459 10.988 3.584 1.00 0.33 H new ATOM 0 HB2 LYS A 64 5.812 12.250 6.325 1.00 0.40 H new ATOM 0 HB3 LYS A 64 6.481 10.690 5.889 1.00 0.40 H new ATOM 0 HG2 LYS A 64 7.113 13.302 4.465 1.00 0.42 H new ATOM 0 HG3 LYS A 64 8.119 12.565 5.696 1.00 0.42 H new ATOM 0 HD2 LYS A 64 8.434 10.564 4.296 1.00 0.38 H new ATOM 0 HD3 LYS A 64 7.340 11.205 3.086 1.00 0.38 H new ATOM 0 HE2 LYS A 64 9.674 11.564 2.416 1.00 0.51 H new ATOM 0 HE3 LYS A 64 8.859 13.096 2.661 1.00 0.51 H new ATOM 0 HZ1 LYS A 64 11.115 12.962 3.640 1.00 1.07 H new ATOM 0 HZ2 LYS A 64 9.910 13.363 4.767 1.00 1.07 H new ATOM 0 HZ3 LYS A 64 10.548 11.790 4.730 1.00 1.07 H new ATOM 1038 N LEU A 65 2.935 11.111 5.597 1.00 0.25 N ATOM 1039 CA LEU A 65 1.787 10.354 6.055 1.00 0.21 C ATOM 1040 C LEU A 65 1.173 9.534 4.917 1.00 0.17 C ATOM 1041 O LEU A 65 0.752 8.398 5.124 1.00 0.18 O ATOM 1042 CB LEU A 65 0.748 11.299 6.651 1.00 0.24 C ATOM 1043 CG LEU A 65 1.223 12.109 7.856 1.00 0.28 C ATOM 1044 CD1 LEU A 65 0.096 12.970 8.398 1.00 0.34 C ATOM 1045 CD2 LEU A 65 1.768 11.193 8.938 1.00 0.31 C ATOM 0 H LEU A 65 2.851 12.119 5.728 1.00 0.25 H new ATOM 0 HA LEU A 65 2.120 9.657 6.824 1.00 0.21 H new ATOM 0 HB2 LEU A 65 0.421 11.990 5.874 1.00 0.24 H new ATOM 0 HB3 LEU A 65 -0.124 10.715 6.946 1.00 0.24 H new ATOM 0 HG LEU A 65 2.029 12.766 7.530 1.00 0.28 H new ATOM 0 HD11 LEU A 65 0.453 13.539 9.256 1.00 0.34 H new ATOM 0 HD12 LEU A 65 -0.243 13.657 7.622 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -0.733 12.333 8.706 1.00 0.34 H new ATOM 0 HD21 LEU A 65 2.101 11.790 9.787 1.00 0.31 H new ATOM 0 HD22 LEU A 65 0.986 10.507 9.262 1.00 0.31 H new ATOM 0 HD23 LEU A 65 2.609 10.624 8.543 1.00 0.31 H new ATOM 1057 N PHE A 66 1.135 10.100 3.709 1.00 0.15 N ATOM 1058 CA PHE A 66 0.632 9.371 2.550 1.00 0.13 C ATOM 1059 C PHE A 66 1.521 8.165 2.274 1.00 0.14 C ATOM 1060 O PHE A 66 1.041 7.112 1.864 1.00 0.15 O ATOM 1061 CB PHE A 66 0.565 10.287 1.317 1.00 0.14 C ATOM 1062 CG PHE A 66 0.135 9.596 0.043 1.00 0.14 C ATOM 1063 CD1 PHE A 66 -0.865 8.642 0.055 1.00 0.13 C ATOM 1064 CD2 PHE A 66 0.738 9.901 -1.164 1.00 0.20 C ATOM 1065 CE1 PHE A 66 -1.254 8.001 -1.109 1.00 0.15 C ATOM 1066 CE2 PHE A 66 0.355 9.272 -2.331 1.00 0.24 C ATOM 1067 CZ PHE A 66 -0.643 8.319 -2.304 1.00 0.21 C ATOM 0 H PHE A 66 1.444 11.052 3.512 1.00 0.15 H new ATOM 0 HA PHE A 66 -0.379 9.024 2.765 1.00 0.13 H new ATOM 0 HB2 PHE A 66 -0.127 11.103 1.524 1.00 0.14 H new ATOM 0 HB3 PHE A 66 1.546 10.734 1.159 1.00 0.14 H new ATOM 0 HD1 PHE A 66 -1.351 8.393 0.987 1.00 0.13 H new ATOM 0 HD2 PHE A 66 1.522 10.644 -1.194 1.00 0.20 H new ATOM 0 HE1 PHE A 66 -2.034 7.254 -1.081 1.00 0.15 H new ATOM 0 HE2 PHE A 66 0.836 9.525 -3.264 1.00 0.24 H new ATOM 0 HZ PHE A 66 -0.944 7.824 -3.215 1.00 0.21 H new ATOM 1077 N TYR A 67 2.811 8.315 2.549 1.00 0.16 N ATOM 1078 CA TYR A 67 3.769 7.240 2.327 1.00 0.18 C ATOM 1079 C TYR A 67 3.409 6.051 3.205 1.00 0.16 C ATOM 1080 O TYR A 67 3.214 4.936 2.723 1.00 0.18 O ATOM 1081 CB TYR A 67 5.201 7.673 2.668 1.00 0.22 C ATOM 1082 CG TYR A 67 5.767 8.815 1.848 1.00 0.26 C ATOM 1083 CD1 TYR A 67 4.980 9.882 1.440 1.00 0.25 C ATOM 1084 CD2 TYR A 67 7.114 8.839 1.522 1.00 0.33 C ATOM 1085 CE1 TYR A 67 5.515 10.936 0.734 1.00 0.29 C ATOM 1086 CE2 TYR A 67 7.656 9.886 0.807 1.00 0.37 C ATOM 1087 CZ TYR A 67 6.852 10.933 0.415 1.00 0.35 C ATOM 1088 OH TYR A 67 7.391 11.988 -0.284 1.00 0.40 O ATOM 0 H TYR A 67 3.218 9.171 2.926 1.00 0.16 H new ATOM 0 HA TYR A 67 3.726 6.975 1.271 1.00 0.18 H new ATOM 0 HB2 TYR A 67 5.232 7.958 3.720 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.857 6.810 2.552 1.00 0.22 H new ATOM 0 HD1 TYR A 67 3.927 9.886 1.681 1.00 0.25 H new ATOM 0 HD2 TYR A 67 7.750 8.024 1.833 1.00 0.33 H new ATOM 0 HE1 TYR A 67 4.887 11.761 0.432 1.00 0.29 H new ATOM 0 HE2 TYR A 67 8.706 9.885 0.556 1.00 0.37 H new ATOM 0 HH TYR A 67 7.864 12.583 0.335 1.00 0.40 H new ATOM 1098 N SER A 68 3.333 6.304 4.506 1.00 0.15 N ATOM 1099 CA SER A 68 3.016 5.273 5.473 1.00 0.18 C ATOM 1100 C SER A 68 1.602 4.748 5.269 1.00 0.17 C ATOM 1101 O SER A 68 1.335 3.570 5.472 1.00 0.20 O ATOM 1102 CB SER A 68 3.163 5.827 6.886 1.00 0.26 C ATOM 1103 OG SER A 68 4.070 6.916 6.910 1.00 1.22 O ATOM 0 H SER A 68 3.489 7.226 4.914 1.00 0.15 H new ATOM 0 HA SER A 68 3.711 4.446 5.331 1.00 0.18 H new ATOM 0 HB2 SER A 68 2.190 6.150 7.257 1.00 0.26 H new ATOM 0 HB3 SER A 68 3.514 5.041 7.554 1.00 0.26 H new ATOM 0 HG SER A 68 4.985 6.582 6.803 1.00 1.22 H new ATOM 1109 N GLY A 69 0.692 5.627 4.865 1.00 0.16 N ATOM 1110 CA GLY A 69 -0.657 5.196 4.565 1.00 0.17 C ATOM 1111 C GLY A 69 -0.667 4.114 3.507 1.00 0.16 C ATOM 1112 O GLY A 69 -1.527 3.234 3.508 1.00 0.17 O ATOM 0 H GLY A 69 0.864 6.625 4.741 1.00 0.16 H new ATOM 0 HA2 GLY A 69 -1.132 4.824 5.473 1.00 0.17 H new ATOM 0 HA3 GLY A 69 -1.245 6.047 4.223 1.00 0.17 H new ATOM 1116 N ILE A 70 0.305 4.188 2.607 1.00 0.15 N ATOM 1117 CA ILE A 70 0.509 3.164 1.605 1.00 0.16 C ATOM 1118 C ILE A 70 0.896 1.833 2.251 1.00 0.16 C ATOM 1119 O ILE A 70 0.321 0.800 1.930 1.00 0.17 O ATOM 1120 CB ILE A 70 1.610 3.580 0.615 1.00 0.16 C ATOM 1121 CG1 ILE A 70 1.187 4.837 -0.146 1.00 0.16 C ATOM 1122 CG2 ILE A 70 1.912 2.438 -0.337 1.00 0.17 C ATOM 1123 CD1 ILE A 70 2.263 5.397 -1.051 1.00 0.18 C ATOM 0 H ILE A 70 0.970 4.960 2.556 1.00 0.15 H new ATOM 0 HA ILE A 70 -0.432 3.042 1.069 1.00 0.16 H new ATOM 0 HB ILE A 70 2.521 3.811 1.168 1.00 0.16 H new ATOM 0 HG12 ILE A 70 0.305 4.608 -0.745 1.00 0.16 H new ATOM 0 HG13 ILE A 70 0.895 5.603 0.572 1.00 0.16 H new ATOM 0 HG21 ILE A 70 2.693 2.742 -1.034 1.00 0.17 H new ATOM 0 HG22 ILE A 70 2.250 1.571 0.231 1.00 0.17 H new ATOM 0 HG23 ILE A 70 1.011 2.179 -0.892 1.00 0.17 H new ATOM 0 HD11 ILE A 70 1.887 6.287 -1.556 1.00 0.18 H new ATOM 0 HD12 ILE A 70 3.138 5.659 -0.457 1.00 0.18 H new ATOM 0 HD13 ILE A 70 2.540 4.649 -1.794 1.00 0.18 H new ATOM 1135 N CYS A 71 1.864 1.858 3.170 1.00 0.17 N ATOM 1136 CA CYS A 71 2.326 0.623 3.805 1.00 0.18 C ATOM 1137 C CYS A 71 1.199 0.012 4.622 1.00 0.17 C ATOM 1138 O CYS A 71 1.030 -1.204 4.662 1.00 0.17 O ATOM 1139 CB CYS A 71 3.563 0.864 4.686 1.00 0.21 C ATOM 1140 SG CYS A 71 3.257 1.655 6.282 1.00 1.10 S ATOM 0 H CYS A 71 2.336 2.705 3.487 1.00 0.17 H new ATOM 0 HA CYS A 71 2.620 -0.073 3.019 1.00 0.18 H new ATOM 0 HB2 CYS A 71 4.049 -0.095 4.865 1.00 0.21 H new ATOM 0 HB3 CYS A 71 4.268 1.479 4.127 1.00 0.21 H new ATOM 0 HG CYS A 71 2.391 2.613 6.132 1.00 1.10 H new ATOM 1146 N GLN A 72 0.422 0.876 5.253 1.00 0.18 N ATOM 1147 CA GLN A 72 -0.760 0.455 5.995 1.00 0.19 C ATOM 1148 C GLN A 72 -1.789 -0.171 5.052 1.00 0.17 C ATOM 1149 O GLN A 72 -2.555 -1.050 5.442 1.00 0.20 O ATOM 1150 CB GLN A 72 -1.373 1.641 6.736 1.00 0.22 C ATOM 1151 CG GLN A 72 -0.407 2.318 7.696 1.00 0.28 C ATOM 1152 CD GLN A 72 0.077 1.394 8.798 1.00 1.02 C ATOM 1153 OE1 GLN A 72 -0.636 0.487 9.230 1.00 1.82 O ATOM 1154 NE2 GLN A 72 1.292 1.624 9.265 1.00 1.56 N ATOM 0 H GLN A 72 0.589 1.882 5.267 1.00 0.18 H new ATOM 0 HA GLN A 72 -0.459 -0.295 6.727 1.00 0.19 H new ATOM 0 HB2 GLN A 72 -1.723 2.373 6.008 1.00 0.22 H new ATOM 0 HB3 GLN A 72 -2.247 1.301 7.291 1.00 0.22 H new ATOM 0 HG2 GLN A 72 0.452 2.689 7.137 1.00 0.28 H new ATOM 0 HG3 GLN A 72 -0.895 3.184 8.143 1.00 0.28 H new ATOM 0 HE21 GLN A 72 1.851 2.386 8.880 1.00 1.56 H new ATOM 0 HE22 GLN A 72 1.671 1.040 10.010 1.00 1.56 H new ATOM 1163 N PHE A 73 -1.788 0.289 3.807 1.00 0.16 N ATOM 1164 CA PHE A 73 -2.655 -0.263 2.774 1.00 0.15 C ATOM 1165 C PHE A 73 -2.163 -1.643 2.340 1.00 0.15 C ATOM 1166 O PHE A 73 -2.937 -2.599 2.300 1.00 0.15 O ATOM 1167 CB PHE A 73 -2.706 0.690 1.575 1.00 0.14 C ATOM 1168 CG PHE A 73 -3.499 0.176 0.408 1.00 0.14 C ATOM 1169 CD1 PHE A 73 -2.863 -0.139 -0.775 1.00 0.19 C ATOM 1170 CD2 PHE A 73 -4.871 0.016 0.492 1.00 0.17 C ATOM 1171 CE1 PHE A 73 -3.577 -0.606 -1.860 1.00 0.20 C ATOM 1172 CE2 PHE A 73 -5.592 -0.452 -0.590 1.00 0.17 C ATOM 1173 CZ PHE A 73 -4.943 -0.762 -1.767 1.00 0.15 C ATOM 0 H PHE A 73 -1.190 1.051 3.486 1.00 0.16 H new ATOM 0 HA PHE A 73 -3.660 -0.374 3.181 1.00 0.15 H new ATOM 0 HB2 PHE A 73 -3.133 1.639 1.899 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -1.687 0.894 1.245 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -1.793 -0.019 -0.853 1.00 0.19 H new ATOM 0 HD2 PHE A 73 -5.383 0.259 1.411 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.066 -0.849 -2.780 1.00 0.20 H new ATOM 0 HE2 PHE A 73 -6.662 -0.575 -0.514 1.00 0.17 H new ATOM 0 HZ PHE A 73 -5.505 -1.126 -2.614 1.00 0.15 H new ATOM 1183 N VAL A 74 -0.868 -1.750 2.035 1.00 0.17 N ATOM 1184 CA VAL A 74 -0.282 -3.029 1.618 1.00 0.19 C ATOM 1185 C VAL A 74 -0.376 -4.036 2.756 1.00 0.19 C ATOM 1186 O VAL A 74 -0.372 -5.246 2.540 1.00 0.21 O ATOM 1187 CB VAL A 74 1.202 -2.894 1.182 1.00 0.22 C ATOM 1188 CG1 VAL A 74 1.445 -1.562 0.507 1.00 0.28 C ATOM 1189 CG2 VAL A 74 2.169 -3.082 2.349 1.00 0.24 C ATOM 0 H VAL A 74 -0.208 -0.973 2.068 1.00 0.17 H new ATOM 0 HA VAL A 74 -0.851 -3.371 0.754 1.00 0.19 H new ATOM 0 HB VAL A 74 1.395 -3.694 0.467 1.00 0.22 H new ATOM 0 HG11 VAL A 74 2.491 -1.490 0.210 1.00 0.28 H new ATOM 0 HG12 VAL A 74 0.811 -1.480 -0.376 1.00 0.28 H new ATOM 0 HG13 VAL A 74 1.208 -0.754 1.200 1.00 0.28 H new ATOM 0 HG21 VAL A 74 3.194 -2.978 1.993 1.00 0.24 H new ATOM 0 HG22 VAL A 74 1.971 -2.327 3.110 1.00 0.24 H new ATOM 0 HG23 VAL A 74 2.033 -4.075 2.778 1.00 0.24 H new ATOM 1199 N LYS A 75 -0.456 -3.509 3.967 1.00 0.20 N ATOM 1200 CA LYS A 75 -0.569 -4.318 5.168 1.00 0.23 C ATOM 1201 C LYS A 75 -1.783 -5.234 5.105 1.00 0.24 C ATOM 1202 O LYS A 75 -1.695 -6.407 5.463 1.00 0.31 O ATOM 1203 CB LYS A 75 -0.622 -3.403 6.391 1.00 0.25 C ATOM 1204 CG LYS A 75 -0.764 -4.119 7.720 1.00 0.38 C ATOM 1205 CD LYS A 75 -0.713 -3.124 8.868 1.00 0.58 C ATOM 1206 CE LYS A 75 -0.852 -3.801 10.219 1.00 1.08 C ATOM 1207 NZ LYS A 75 -0.780 -2.818 11.333 1.00 1.85 N ATOM 0 H LYS A 75 -0.444 -2.505 4.144 1.00 0.20 H new ATOM 0 HA LYS A 75 0.307 -4.961 5.247 1.00 0.23 H new ATOM 0 HB2 LYS A 75 0.286 -2.800 6.415 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -1.459 -2.714 6.275 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -1.706 -4.666 7.746 1.00 0.38 H new ATOM 0 HG3 LYS A 75 0.034 -4.853 7.831 1.00 0.38 H new ATOM 0 HD2 LYS A 75 0.230 -2.578 8.832 1.00 0.58 H new ATOM 0 HD3 LYS A 75 -1.510 -2.391 8.747 1.00 0.58 H new ATOM 0 HE2 LYS A 75 -1.802 -4.334 10.264 1.00 1.08 H new ATOM 0 HE3 LYS A 75 -0.064 -4.544 10.337 1.00 1.08 H new ATOM 0 HZ1 LYS A 75 -0.879 -3.315 12.241 1.00 1.85 H new ATOM 0 HZ2 LYS A 75 0.137 -2.327 11.304 1.00 1.85 H new ATOM 0 HZ3 LYS A 75 -1.548 -2.123 11.233 1.00 1.85 H new ATOM 1221 N GLU A 76 -2.891 -4.706 4.606 1.00 0.21 N ATOM 1222 CA GLU A 76 -4.113 -5.487 4.449 1.00 0.24 C ATOM 1223 C GLU A 76 -3.899 -6.591 3.424 1.00 0.24 C ATOM 1224 O GLU A 76 -4.452 -7.682 3.536 1.00 0.29 O ATOM 1225 CB GLU A 76 -5.258 -4.586 3.994 1.00 0.28 C ATOM 1226 CG GLU A 76 -5.475 -3.377 4.874 1.00 1.05 C ATOM 1227 CD GLU A 76 -5.964 -3.742 6.261 1.00 1.02 C ATOM 1228 OE1 GLU A 76 -7.163 -4.073 6.408 1.00 0.89 O ATOM 1229 OE2 GLU A 76 -5.164 -3.696 7.216 1.00 1.31 O ATOM 0 H GLU A 76 -2.971 -3.736 4.301 1.00 0.21 H new ATOM 0 HA GLU A 76 -4.367 -5.932 5.411 1.00 0.24 H new ATOM 0 HB2 GLU A 76 -5.060 -4.251 2.976 1.00 0.28 H new ATOM 0 HB3 GLU A 76 -6.177 -5.171 3.964 1.00 0.28 H new ATOM 0 HG2 GLU A 76 -4.541 -2.821 4.957 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -6.199 -2.714 4.401 1.00 1.05 H new ATOM 1236 N ALA A 77 -3.083 -6.298 2.422 1.00 0.21 N ATOM 1237 CA ALA A 77 -2.762 -7.270 1.396 1.00 0.22 C ATOM 1238 C ALA A 77 -1.911 -8.400 1.963 1.00 0.22 C ATOM 1239 O ALA A 77 -2.023 -9.547 1.527 1.00 0.24 O ATOM 1240 CB ALA A 77 -2.066 -6.600 0.227 1.00 0.24 C ATOM 0 H ALA A 77 -2.632 -5.391 2.301 1.00 0.21 H new ATOM 0 HA ALA A 77 -3.694 -7.704 1.034 1.00 0.22 H new ATOM 0 HB1 ALA A 77 -1.833 -7.345 -0.533 1.00 0.24 H new ATOM 0 HB2 ALA A 77 -2.721 -5.840 -0.199 1.00 0.24 H new ATOM 0 HB3 ALA A 77 -1.144 -6.133 0.572 1.00 0.24 H new ATOM 1246 N LYS A 78 -1.070 -8.082 2.949 1.00 0.24 N ATOM 1247 CA LYS A 78 -0.298 -9.112 3.639 1.00 0.30 C ATOM 1248 C LYS A 78 -1.230 -9.909 4.549 1.00 0.31 C ATOM 1249 O LYS A 78 -0.952 -11.056 4.894 1.00 0.37 O ATOM 1250 CB LYS A 78 0.841 -8.520 4.499 1.00 0.42 C ATOM 1251 CG LYS A 78 1.519 -7.274 3.936 1.00 0.84 C ATOM 1252 CD LYS A 78 2.726 -6.827 4.772 1.00 0.72 C ATOM 1253 CE LYS A 78 2.371 -6.183 6.113 1.00 1.08 C ATOM 1254 NZ LYS A 78 1.487 -7.021 6.971 1.00 1.88 N ATOM 0 H LYS A 78 -0.909 -7.132 3.283 1.00 0.24 H new ATOM 0 HA LYS A 78 0.153 -9.747 2.876 1.00 0.30 H new ATOM 0 HB2 LYS A 78 0.440 -8.279 5.483 1.00 0.42 H new ATOM 0 HB3 LYS A 78 1.599 -9.289 4.643 1.00 0.42 H new ATOM 0 HG2 LYS A 78 1.843 -7.472 2.914 1.00 0.84 H new ATOM 0 HG3 LYS A 78 0.794 -6.461 3.888 1.00 0.84 H new ATOM 0 HD2 LYS A 78 3.363 -7.692 4.957 1.00 0.72 H new ATOM 0 HD3 LYS A 78 3.313 -6.118 4.188 1.00 0.72 H new ATOM 0 HE2 LYS A 78 3.291 -5.969 6.657 1.00 1.08 H new ATOM 0 HE3 LYS A 78 1.881 -5.227 5.927 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 1.547 -6.693 7.956 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 0.505 -6.942 6.639 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 1.792 -8.014 6.918 1.00 1.88 H new ATOM 1268 N ASP A 79 -2.348 -9.286 4.914 1.00 0.31 N ATOM 1269 CA ASP A 79 -3.296 -9.861 5.859 1.00 0.36 C ATOM 1270 C ASP A 79 -4.167 -10.919 5.204 1.00 0.34 C ATOM 1271 O ASP A 79 -4.386 -11.989 5.770 1.00 0.38 O ATOM 1272 CB ASP A 79 -4.173 -8.767 6.462 1.00 0.41 C ATOM 1273 CG ASP A 79 -3.685 -8.298 7.817 1.00 1.12 C ATOM 1274 OD1 ASP A 79 -3.889 -9.025 8.814 1.00 1.77 O ATOM 1275 OD2 ASP A 79 -3.111 -7.195 7.901 1.00 1.60 O ATOM 0 H ASP A 79 -2.620 -8.368 4.562 1.00 0.31 H new ATOM 0 HA ASP A 79 -2.721 -10.341 6.651 1.00 0.36 H new ATOM 0 HB2 ASP A 79 -4.206 -7.918 5.780 1.00 0.41 H new ATOM 0 HB3 ASP A 79 -5.193 -9.138 6.558 1.00 0.41 H new ATOM 1280 N ILE A 80 -4.664 -10.627 4.010 1.00 0.30 N ATOM 1281 CA ILE A 80 -5.533 -11.571 3.310 1.00 0.32 C ATOM 1282 C ILE A 80 -4.705 -12.457 2.399 1.00 0.30 C ATOM 1283 O ILE A 80 -5.190 -13.435 1.828 1.00 0.33 O ATOM 1284 CB ILE A 80 -6.652 -10.857 2.509 1.00 0.32 C ATOM 1285 CG1 ILE A 80 -6.313 -10.681 1.020 1.00 0.29 C ATOM 1286 CG2 ILE A 80 -6.938 -9.506 3.138 1.00 0.33 C ATOM 1287 CD1 ILE A 80 -5.253 -9.646 0.724 1.00 0.22 C ATOM 0 H ILE A 80 -4.485 -9.757 3.509 1.00 0.30 H new ATOM 0 HA ILE A 80 -6.026 -12.186 4.062 1.00 0.32 H new ATOM 0 HB ILE A 80 -7.535 -11.495 2.553 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -5.983 -11.641 0.622 1.00 0.29 H new ATOM 0 HG13 ILE A 80 -7.223 -10.410 0.485 1.00 0.29 H new ATOM 0 HG21 ILE A 80 -7.725 -9.002 2.576 1.00 0.33 H new ATOM 0 HG22 ILE A 80 -7.261 -9.646 4.169 1.00 0.33 H new ATOM 0 HG23 ILE A 80 -6.034 -8.898 3.121 1.00 0.33 H new ATOM 0 HD11 ILE A 80 -5.084 -9.595 -0.352 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -5.584 -8.672 1.085 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -4.325 -9.922 1.224 1.00 0.22 H new ATOM 1299 N LYS A 81 -3.440 -12.072 2.288 1.00 0.27 N ATOM 1300 CA LYS A 81 -2.442 -12.800 1.516 1.00 0.29 C ATOM 1301 C LYS A 81 -2.708 -12.690 0.023 1.00 0.29 C ATOM 1302 O LYS A 81 -2.834 -13.690 -0.680 1.00 0.39 O ATOM 1303 CB LYS A 81 -2.368 -14.269 1.943 1.00 0.36 C ATOM 1304 CG LYS A 81 -1.848 -14.483 3.356 1.00 0.39 C ATOM 1305 CD LYS A 81 -0.418 -13.991 3.507 1.00 0.40 C ATOM 1306 CE LYS A 81 0.174 -14.406 4.845 1.00 0.53 C ATOM 1307 NZ LYS A 81 0.226 -15.886 4.995 1.00 1.47 N ATOM 0 H LYS A 81 -3.074 -11.233 2.738 1.00 0.27 H new ATOM 0 HA LYS A 81 -1.476 -12.339 1.722 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -3.362 -14.709 1.863 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -1.725 -14.806 1.246 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -2.490 -13.959 4.064 1.00 0.39 H new ATOM 0 HG3 LYS A 81 -1.897 -15.543 3.606 1.00 0.39 H new ATOM 0 HD2 LYS A 81 0.193 -14.391 2.698 1.00 0.40 H new ATOM 0 HD3 LYS A 81 -0.394 -12.905 3.418 1.00 0.40 H new ATOM 0 HE2 LYS A 81 1.180 -13.996 4.940 1.00 0.53 H new ATOM 0 HE3 LYS A 81 -0.421 -13.980 5.653 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 0.918 -16.136 5.730 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 -0.713 -16.240 5.268 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 0.509 -16.317 4.092 1.00 1.47 H new ATOM 1321 N GLY A 82 -2.785 -11.466 -0.458 1.00 0.23 N ATOM 1322 CA GLY A 82 -2.994 -11.250 -1.868 1.00 0.26 C ATOM 1323 C GLY A 82 -1.784 -10.678 -2.580 1.00 0.22 C ATOM 1324 O GLY A 82 -0.641 -11.048 -2.305 1.00 0.23 O ATOM 0 H GLY A 82 -2.707 -10.617 0.102 1.00 0.23 H new ATOM 0 HA2 GLY A 82 -3.267 -12.196 -2.336 1.00 0.26 H new ATOM 0 HA3 GLY A 82 -3.838 -10.573 -2.002 1.00 0.26 H new ATOM 1328 N LYS A 83 -2.064 -9.802 -3.528 1.00 0.18 N ATOM 1329 CA LYS A 83 -1.054 -9.109 -4.304 1.00 0.17 C ATOM 1330 C LYS A 83 -1.242 -7.611 -4.130 1.00 0.16 C ATOM 1331 O LYS A 83 -2.347 -7.163 -3.819 1.00 0.20 O ATOM 1332 CB LYS A 83 -1.156 -9.464 -5.783 1.00 0.19 C ATOM 1333 CG LYS A 83 -0.322 -10.668 -6.153 1.00 0.26 C ATOM 1334 CD LYS A 83 -0.910 -11.942 -5.592 1.00 0.30 C ATOM 1335 CE LYS A 83 0.175 -12.935 -5.257 1.00 0.42 C ATOM 1336 NZ LYS A 83 0.892 -13.416 -6.470 1.00 1.06 N ATOM 0 H LYS A 83 -3.018 -9.548 -3.784 1.00 0.18 H new ATOM 0 HA LYS A 83 -0.070 -9.414 -3.948 1.00 0.17 H new ATOM 0 HB2 LYS A 83 -2.199 -9.658 -6.035 1.00 0.19 H new ATOM 0 HB3 LYS A 83 -0.838 -8.609 -6.380 1.00 0.19 H new ATOM 0 HG2 LYS A 83 -0.253 -10.745 -7.238 1.00 0.26 H new ATOM 0 HG3 LYS A 83 0.693 -10.538 -5.778 1.00 0.26 H new ATOM 0 HD2 LYS A 83 -1.490 -11.716 -4.697 1.00 0.30 H new ATOM 0 HD3 LYS A 83 -1.598 -12.379 -6.316 1.00 0.30 H new ATOM 0 HE2 LYS A 83 0.889 -12.474 -4.574 1.00 0.42 H new ATOM 0 HE3 LYS A 83 -0.262 -13.786 -4.734 1.00 0.42 H new ATOM 0 HZ1 LYS A 83 1.617 -14.109 -6.193 1.00 1.06 H new ATOM 0 HZ2 LYS A 83 0.214 -13.865 -7.119 1.00 1.06 H new ATOM 0 HZ3 LYS A 83 1.347 -12.611 -6.947 1.00 1.06 H new ATOM 1350 N LEU A 84 -0.197 -6.839 -4.337 1.00 0.16 N ATOM 1351 CA LEU A 84 -0.313 -5.396 -4.237 1.00 0.15 C ATOM 1352 C LEU A 84 -0.108 -4.762 -5.609 1.00 0.15 C ATOM 1353 O LEU A 84 0.821 -5.117 -6.331 1.00 0.17 O ATOM 1354 CB LEU A 84 0.690 -4.857 -3.212 1.00 0.16 C ATOM 1355 CG LEU A 84 0.442 -3.425 -2.714 1.00 0.16 C ATOM 1356 CD1 LEU A 84 0.970 -2.404 -3.709 1.00 0.17 C ATOM 1357 CD2 LEU A 84 -1.044 -3.184 -2.447 1.00 0.15 C ATOM 0 H LEU A 84 0.735 -7.180 -4.573 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.314 -5.135 -3.892 1.00 0.15 H new ATOM 0 HB2 LEU A 84 0.693 -5.525 -2.350 1.00 0.16 H new ATOM 0 HB3 LEU A 84 1.687 -4.900 -3.651 1.00 0.16 H new ATOM 0 HG LEU A 84 0.983 -3.305 -1.775 1.00 0.16 H new ATOM 0 HD11 LEU A 84 0.782 -1.398 -3.333 1.00 0.17 H new ATOM 0 HD12 LEU A 84 2.042 -2.547 -3.843 1.00 0.17 H new ATOM 0 HD13 LEU A 84 0.465 -2.534 -4.666 1.00 0.17 H new ATOM 0 HD21 LEU A 84 -1.190 -2.162 -2.096 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -1.608 -3.335 -3.367 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -1.395 -3.882 -1.687 1.00 0.15 H new ATOM 1369 N THR A 85 -0.999 -3.850 -5.966 1.00 0.16 N ATOM 1370 CA THR A 85 -0.935 -3.156 -7.241 1.00 0.17 C ATOM 1371 C THR A 85 -0.820 -1.649 -7.031 1.00 0.17 C ATOM 1372 O THR A 85 -1.651 -1.037 -6.359 1.00 0.21 O ATOM 1373 CB THR A 85 -2.187 -3.453 -8.092 1.00 0.19 C ATOM 1374 OG1 THR A 85 -2.263 -4.852 -8.380 1.00 0.20 O ATOM 1375 CG2 THR A 85 -2.183 -2.663 -9.397 1.00 0.20 C ATOM 0 H THR A 85 -1.786 -3.571 -5.380 1.00 0.16 H new ATOM 0 HA THR A 85 -0.050 -3.516 -7.766 1.00 0.17 H new ATOM 0 HB THR A 85 -3.058 -3.146 -7.514 1.00 0.19 H new ATOM 0 HG1 THR A 85 -3.009 -5.248 -7.883 1.00 0.20 H new ATOM 0 HG21 THR A 85 -3.081 -2.899 -9.968 1.00 0.20 H new ATOM 0 HG22 THR A 85 -2.164 -1.596 -9.176 1.00 0.20 H new ATOM 0 HG23 THR A 85 -1.301 -2.929 -9.980 1.00 0.20 H new ATOM 1383 N LEU A 86 0.221 -1.063 -7.591 1.00 0.16 N ATOM 1384 CA LEU A 86 0.389 0.379 -7.563 1.00 0.18 C ATOM 1385 C LEU A 86 -0.198 0.999 -8.824 1.00 0.19 C ATOM 1386 O LEU A 86 0.376 0.872 -9.899 1.00 0.21 O ATOM 1387 CB LEU A 86 1.869 0.737 -7.471 1.00 0.22 C ATOM 1388 CG LEU A 86 2.174 2.221 -7.654 1.00 0.53 C ATOM 1389 CD1 LEU A 86 1.823 2.996 -6.392 1.00 1.45 C ATOM 1390 CD2 LEU A 86 3.629 2.409 -8.051 1.00 1.51 C ATOM 0 H LEU A 86 0.967 -1.565 -8.073 1.00 0.16 H new ATOM 0 HA LEU A 86 -0.132 0.769 -6.689 1.00 0.18 H new ATOM 0 HB2 LEU A 86 2.247 0.419 -6.500 1.00 0.22 H new ATOM 0 HB3 LEU A 86 2.414 0.171 -8.226 1.00 0.22 H new ATOM 0 HG LEU A 86 1.557 2.619 -8.460 1.00 0.53 H new ATOM 0 HD11 LEU A 86 2.047 4.053 -6.540 1.00 1.45 H new ATOM 0 HD12 LEU A 86 0.761 2.877 -6.175 1.00 1.45 H new ATOM 0 HD13 LEU A 86 2.409 2.615 -5.556 1.00 1.45 H new ATOM 0 HD21 LEU A 86 3.837 3.471 -8.179 1.00 1.51 H new ATOM 0 HD22 LEU A 86 4.274 2.005 -7.271 1.00 1.51 H new ATOM 0 HD23 LEU A 86 3.821 1.886 -8.988 1.00 1.51 H new ATOM 1402 N LEU A 87 -1.334 1.654 -8.695 1.00 0.20 N ATOM 1403 CA LEU A 87 -1.956 2.321 -9.829 1.00 0.23 C ATOM 1404 C LEU A 87 -1.230 3.628 -10.114 1.00 0.26 C ATOM 1405 O LEU A 87 -0.682 4.243 -9.201 1.00 0.25 O ATOM 1406 CB LEU A 87 -3.430 2.605 -9.538 1.00 0.23 C ATOM 1407 CG LEU A 87 -4.256 1.395 -9.100 1.00 0.21 C ATOM 1408 CD1 LEU A 87 -5.626 1.839 -8.615 1.00 0.22 C ATOM 1409 CD2 LEU A 87 -4.391 0.399 -10.243 1.00 0.24 C ATOM 0 H LEU A 87 -1.848 1.741 -7.818 1.00 0.20 H new ATOM 0 HA LEU A 87 -1.890 1.669 -10.700 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -3.489 3.365 -8.759 1.00 0.23 H new ATOM 0 HB3 LEU A 87 -3.885 3.029 -10.433 1.00 0.23 H new ATOM 0 HG LEU A 87 -3.740 0.903 -8.276 1.00 0.21 H new ATOM 0 HD11 LEU A 87 -6.203 0.967 -8.306 1.00 0.22 H new ATOM 0 HD12 LEU A 87 -5.511 2.516 -7.768 1.00 0.22 H new ATOM 0 HD13 LEU A 87 -6.149 2.353 -9.422 1.00 0.22 H new ATOM 0 HD21 LEU A 87 -4.982 -0.456 -9.913 1.00 0.24 H new ATOM 0 HD22 LEU A 87 -4.887 0.879 -11.087 1.00 0.24 H new ATOM 0 HD23 LEU A 87 -3.401 0.060 -10.549 1.00 0.24 H new ATOM 1421 N GLN A 88 -1.203 4.049 -11.365 1.00 0.34 N ATOM 1422 CA GLN A 88 -0.611 5.330 -11.693 1.00 0.41 C ATOM 1423 C GLN A 88 -1.632 6.216 -12.389 1.00 0.47 C ATOM 1424 O GLN A 88 -2.325 5.774 -13.309 1.00 0.52 O ATOM 1425 CB GLN A 88 0.632 5.147 -12.567 1.00 0.50 C ATOM 1426 CG GLN A 88 1.284 6.460 -12.960 1.00 0.73 C ATOM 1427 CD GLN A 88 2.688 6.299 -13.501 1.00 1.23 C ATOM 1428 OE1 GLN A 88 3.030 5.283 -14.109 1.00 1.93 O ATOM 1429 NE2 GLN A 88 3.516 7.306 -13.281 1.00 1.78 N ATOM 0 H GLN A 88 -1.578 3.531 -12.159 1.00 0.34 H new ATOM 0 HA GLN A 88 -0.302 5.816 -10.767 1.00 0.41 H new ATOM 0 HB2 GLN A 88 1.358 4.534 -12.032 1.00 0.50 H new ATOM 0 HB3 GLN A 88 0.357 4.601 -13.469 1.00 0.50 H new ATOM 0 HG2 GLN A 88 0.667 6.952 -13.712 1.00 0.73 H new ATOM 0 HG3 GLN A 88 1.311 7.117 -12.091 1.00 0.73 H new ATOM 0 HE21 GLN A 88 3.194 8.130 -12.773 1.00 1.78 H new ATOM 0 HE22 GLN A 88 4.477 7.259 -13.619 1.00 1.78 H new ATOM 1438 N HIS A 89 -1.662 7.478 -11.967 1.00 0.50 N ATOM 1439 CA HIS A 89 -2.679 8.449 -12.371 1.00 0.58 C ATOM 1440 C HIS A 89 -2.670 9.602 -11.374 1.00 0.56 C ATOM 1441 O HIS A 89 -2.612 10.772 -11.750 1.00 0.58 O ATOM 1442 CB HIS A 89 -4.079 7.810 -12.412 1.00 0.66 C ATOM 1443 CG HIS A 89 -5.192 8.764 -12.736 1.00 0.84 C ATOM 1444 ND1 HIS A 89 -5.454 9.207 -14.012 1.00 1.57 N ATOM 1445 CD2 HIS A 89 -6.116 9.354 -11.940 1.00 1.46 C ATOM 1446 CE1 HIS A 89 -6.491 10.024 -13.989 1.00 1.79 C ATOM 1447 NE2 HIS A 89 -6.912 10.129 -12.743 1.00 1.67 N ATOM 0 H HIS A 89 -0.969 7.862 -11.324 1.00 0.50 H new ATOM 0 HA HIS A 89 -2.448 8.807 -13.374 1.00 0.58 H new ATOM 0 HB2 HIS A 89 -4.077 7.010 -13.152 1.00 0.66 H new ATOM 0 HB3 HIS A 89 -4.282 7.350 -11.445 1.00 0.66 H new ATOM 0 HD2 HIS A 89 -6.208 9.236 -10.870 1.00 1.46 H new ATOM 0 HE1 HIS A 89 -6.922 10.522 -14.845 1.00 1.79 H new ATOM 0 HE2 HIS A 89 -7.701 10.694 -12.429 1.00 1.67 H new ATOM 1456 N PHE A 90 -2.726 9.244 -10.092 1.00 0.58 N ATOM 1457 CA PHE A 90 -2.693 10.207 -9.004 1.00 0.61 C ATOM 1458 C PHE A 90 -1.453 11.097 -9.070 1.00 0.61 C ATOM 1459 O PHE A 90 -1.515 12.269 -8.736 1.00 0.60 O ATOM 1460 CB PHE A 90 -2.724 9.467 -7.662 1.00 0.74 C ATOM 1461 CG PHE A 90 -1.464 8.704 -7.340 1.00 1.67 C ATOM 1462 CD1 PHE A 90 -0.590 9.173 -6.375 1.00 1.56 C ATOM 1463 CD2 PHE A 90 -1.155 7.524 -8.001 1.00 2.87 C ATOM 1464 CE1 PHE A 90 0.569 8.483 -6.073 1.00 2.57 C ATOM 1465 CE2 PHE A 90 0.002 6.830 -7.703 1.00 3.95 C ATOM 1466 CZ PHE A 90 0.866 7.310 -6.739 1.00 3.79 C ATOM 0 H PHE A 90 -2.796 8.274 -9.783 1.00 0.58 H new ATOM 0 HA PHE A 90 -3.569 10.848 -9.099 1.00 0.61 H new ATOM 0 HB2 PHE A 90 -2.909 10.189 -6.867 1.00 0.74 H new ATOM 0 HB3 PHE A 90 -3.564 8.772 -7.664 1.00 0.74 H new ATOM 0 HD1 PHE A 90 -0.816 10.090 -5.851 1.00 1.56 H new ATOM 0 HD2 PHE A 90 -1.826 7.144 -8.757 1.00 2.87 H new ATOM 0 HE1 PHE A 90 1.242 8.861 -5.317 1.00 2.57 H new ATOM 0 HE2 PHE A 90 0.231 5.912 -8.224 1.00 3.95 H new ATOM 0 HZ PHE A 90 1.772 6.770 -6.506 1.00 3.79 H new ATOM 1510 N PHE A 94 -1.425 14.713 -7.859 1.00 0.65 N ATOM 1511 CA PHE A 94 -0.852 14.815 -6.526 1.00 0.62 C ATOM 1512 C PHE A 94 0.661 14.973 -6.618 1.00 0.55 C ATOM 1513 O PHE A 94 1.300 14.392 -7.495 1.00 0.56 O ATOM 1514 CB PHE A 94 -1.208 13.576 -5.701 1.00 0.63 C ATOM 1515 CG PHE A 94 -2.681 13.436 -5.438 1.00 1.17 C ATOM 1516 CD1 PHE A 94 -3.497 12.751 -6.323 1.00 2.12 C ATOM 1517 CD2 PHE A 94 -3.248 13.995 -4.305 1.00 1.16 C ATOM 1518 CE1 PHE A 94 -4.851 12.627 -6.086 1.00 2.85 C ATOM 1519 CE2 PHE A 94 -4.602 13.873 -4.062 1.00 1.80 C ATOM 1520 CZ PHE A 94 -5.404 13.188 -4.954 1.00 2.62 C ATOM 0 HA PHE A 94 -1.266 15.693 -6.031 1.00 0.62 H new ATOM 0 HB2 PHE A 94 -0.854 12.687 -6.223 1.00 0.63 H new ATOM 0 HB3 PHE A 94 -0.679 13.618 -4.749 1.00 0.63 H new ATOM 0 HD1 PHE A 94 -3.068 12.308 -7.210 1.00 2.12 H new ATOM 0 HD2 PHE A 94 -2.625 14.532 -3.605 1.00 1.16 H new ATOM 0 HE1 PHE A 94 -5.476 12.092 -6.785 1.00 2.85 H new ATOM 0 HE2 PHE A 94 -5.034 14.313 -3.175 1.00 1.80 H new ATOM 0 HZ PHE A 94 -6.463 13.092 -4.765 1.00 2.62 H new ATOM 1530 N PRO A 95 1.250 15.777 -5.721 1.00 0.57 N ATOM 1531 CA PRO A 95 2.690 16.049 -5.725 1.00 0.56 C ATOM 1532 C PRO A 95 3.522 14.906 -5.154 1.00 0.50 C ATOM 1533 O PRO A 95 4.750 14.920 -5.251 1.00 0.68 O ATOM 1534 CB PRO A 95 2.810 17.282 -4.828 1.00 0.61 C ATOM 1535 CG PRO A 95 1.671 17.162 -3.877 1.00 0.62 C ATOM 1536 CD PRO A 95 0.553 16.511 -4.646 1.00 0.69 C ATOM 0 HA PRO A 95 3.067 16.185 -6.739 1.00 0.56 H new ATOM 0 HB2 PRO A 95 3.765 17.300 -4.303 1.00 0.61 H new ATOM 0 HB3 PRO A 95 2.748 18.203 -5.408 1.00 0.61 H new ATOM 0 HG2 PRO A 95 1.949 16.562 -3.010 1.00 0.62 H new ATOM 0 HG3 PRO A 95 1.369 18.141 -3.504 1.00 0.62 H new ATOM 0 HD2 PRO A 95 -0.029 15.840 -4.015 1.00 0.69 H new ATOM 0 HD3 PRO A 95 -0.139 17.250 -5.049 1.00 0.69 H new ATOM 1544 N ILE A 96 2.868 13.916 -4.563 1.00 0.36 N ATOM 1545 CA ILE A 96 3.593 12.834 -3.920 1.00 0.29 C ATOM 1546 C ILE A 96 3.826 11.679 -4.874 1.00 0.31 C ATOM 1547 O ILE A 96 2.889 11.002 -5.297 1.00 0.34 O ATOM 1548 CB ILE A 96 2.893 12.295 -2.664 1.00 0.23 C ATOM 1549 CG1 ILE A 96 2.466 13.440 -1.751 1.00 0.29 C ATOM 1550 CG2 ILE A 96 3.848 11.373 -1.933 1.00 0.26 C ATOM 1551 CD1 ILE A 96 1.900 12.986 -0.422 1.00 0.24 C ATOM 0 H ILE A 96 1.852 13.841 -4.516 1.00 0.36 H new ATOM 0 HA ILE A 96 4.545 13.271 -3.618 1.00 0.29 H new ATOM 0 HB ILE A 96 1.997 11.747 -2.956 1.00 0.23 H new ATOM 0 HG12 ILE A 96 3.325 14.085 -1.568 1.00 0.29 H new ATOM 0 HG13 ILE A 96 1.718 14.043 -2.266 1.00 0.29 H new ATOM 0 HG21 ILE A 96 3.363 10.983 -1.038 1.00 0.26 H new ATOM 0 HG22 ILE A 96 4.126 10.545 -2.586 1.00 0.26 H new ATOM 0 HG23 ILE A 96 4.743 11.927 -1.649 1.00 0.26 H new ATOM 0 HD11 ILE A 96 1.620 13.857 0.171 1.00 0.24 H new ATOM 0 HD12 ILE A 96 1.020 12.366 -0.594 1.00 0.24 H new ATOM 0 HD13 ILE A 96 2.652 12.408 0.115 1.00 0.24 H new ATOM 1563 N LYS A 97 5.082 11.477 -5.216 1.00 0.35 N ATOM 1564 CA LYS A 97 5.486 10.350 -6.022 1.00 0.38 C ATOM 1565 C LYS A 97 6.560 9.551 -5.291 1.00 0.35 C ATOM 1566 O LYS A 97 7.455 10.117 -4.663 1.00 0.44 O ATOM 1567 CB LYS A 97 5.949 10.831 -7.393 1.00 0.50 C ATOM 1568 CG LYS A 97 7.030 11.899 -7.357 1.00 0.75 C ATOM 1569 CD LYS A 97 7.283 12.477 -8.742 1.00 0.78 C ATOM 1570 CE LYS A 97 6.073 13.240 -9.272 1.00 0.91 C ATOM 1571 NZ LYS A 97 6.268 13.666 -10.684 1.00 1.38 N ATOM 0 H LYS A 97 5.849 12.091 -4.942 1.00 0.35 H new ATOM 0 HA LYS A 97 4.639 9.684 -6.183 1.00 0.38 H new ATOM 0 HB2 LYS A 97 6.320 9.976 -7.957 1.00 0.50 H new ATOM 0 HB3 LYS A 97 5.089 11.222 -7.936 1.00 0.50 H new ATOM 0 HG2 LYS A 97 6.733 12.697 -6.676 1.00 0.75 H new ATOM 0 HG3 LYS A 97 7.953 11.472 -6.965 1.00 0.75 H new ATOM 0 HD2 LYS A 97 8.144 13.144 -8.705 1.00 0.78 H new ATOM 0 HD3 LYS A 97 7.534 11.671 -9.431 1.00 0.78 H new ATOM 0 HE2 LYS A 97 5.186 12.611 -9.201 1.00 0.91 H new ATOM 0 HE3 LYS A 97 5.893 14.116 -8.649 1.00 0.91 H new ATOM 0 HZ1 LYS A 97 5.426 14.182 -11.011 1.00 1.38 H new ATOM 0 HZ2 LYS A 97 7.100 14.287 -10.748 1.00 1.38 H new ATOM 0 HZ3 LYS A 97 6.415 12.828 -11.282 1.00 1.38 H new ATOM 1585 N VAL A 98 6.441 8.239 -5.360 1.00 0.30 N ATOM 1586 CA VAL A 98 7.213 7.327 -4.520 1.00 0.26 C ATOM 1587 C VAL A 98 7.410 5.980 -5.216 1.00 0.28 C ATOM 1588 O VAL A 98 6.855 5.740 -6.294 1.00 0.33 O ATOM 1589 CB VAL A 98 6.508 7.078 -3.166 1.00 0.21 C ATOM 1590 CG1 VAL A 98 6.510 8.328 -2.295 1.00 0.25 C ATOM 1591 CG2 VAL A 98 5.083 6.594 -3.392 1.00 0.21 C ATOM 0 H VAL A 98 5.804 7.768 -6.002 1.00 0.30 H new ATOM 0 HA VAL A 98 8.180 7.799 -4.345 1.00 0.26 H new ATOM 0 HB VAL A 98 7.067 6.305 -2.639 1.00 0.21 H new ATOM 0 HG11 VAL A 98 6.006 8.115 -1.352 1.00 0.25 H new ATOM 0 HG12 VAL A 98 7.538 8.632 -2.097 1.00 0.25 H new ATOM 0 HG13 VAL A 98 5.987 9.133 -2.812 1.00 0.25 H new ATOM 0 HG21 VAL A 98 4.600 6.423 -2.430 1.00 0.21 H new ATOM 0 HG22 VAL A 98 4.527 7.348 -3.949 1.00 0.21 H new ATOM 0 HG23 VAL A 98 5.100 5.664 -3.960 1.00 0.21 H new ATOM 1601 N ASP A 99 8.192 5.108 -4.591 1.00 0.28 N ATOM 1602 CA ASP A 99 8.409 3.756 -5.099 1.00 0.32 C ATOM 1603 C ASP A 99 8.263 2.729 -3.981 1.00 0.23 C ATOM 1604 O ASP A 99 8.761 2.926 -2.870 1.00 0.27 O ATOM 1605 CB ASP A 99 9.793 3.620 -5.737 1.00 0.51 C ATOM 1606 CG ASP A 99 9.920 4.354 -7.059 1.00 0.63 C ATOM 1607 OD1 ASP A 99 9.620 3.746 -8.111 1.00 1.11 O ATOM 1608 OD2 ASP A 99 10.327 5.533 -7.058 1.00 0.98 O ATOM 0 H ASP A 99 8.690 5.314 -3.725 1.00 0.28 H new ATOM 0 HA ASP A 99 7.652 3.569 -5.860 1.00 0.32 H new ATOM 0 HB2 ASP A 99 10.544 4.001 -5.044 1.00 0.51 H new ATOM 0 HB3 ASP A 99 10.011 2.564 -5.894 1.00 0.51 H new ATOM 1613 N LEU A 100 7.573 1.637 -4.286 1.00 0.19 N ATOM 1614 CA LEU A 100 7.290 0.591 -3.318 1.00 0.13 C ATOM 1615 C LEU A 100 8.278 -0.559 -3.451 1.00 0.13 C ATOM 1616 O LEU A 100 8.562 -1.012 -4.560 1.00 0.16 O ATOM 1617 CB LEU A 100 5.872 0.050 -3.529 1.00 0.18 C ATOM 1618 CG LEU A 100 4.727 1.042 -3.294 1.00 0.25 C ATOM 1619 CD1 LEU A 100 4.700 2.130 -4.357 1.00 0.26 C ATOM 1620 CD2 LEU A 100 3.392 0.309 -3.264 1.00 0.35 C ATOM 0 H LEU A 100 7.194 1.454 -5.215 1.00 0.19 H new ATOM 0 HA LEU A 100 7.381 1.025 -2.322 1.00 0.13 H new ATOM 0 HB2 LEU A 100 5.797 -0.325 -4.550 1.00 0.18 H new ATOM 0 HB3 LEU A 100 5.728 -0.803 -2.865 1.00 0.18 H new ATOM 0 HG LEU A 100 4.898 1.521 -2.330 1.00 0.25 H new ATOM 0 HD11 LEU A 100 3.875 2.814 -4.157 1.00 0.26 H new ATOM 0 HD12 LEU A 100 5.641 2.681 -4.338 1.00 0.26 H new ATOM 0 HD13 LEU A 100 4.565 1.676 -5.339 1.00 0.26 H new ATOM 0 HD21 LEU A 100 2.587 1.025 -3.096 1.00 0.35 H new ATOM 0 HD22 LEU A 100 3.234 -0.198 -4.216 1.00 0.35 H new ATOM 0 HD23 LEU A 100 3.398 -0.425 -2.458 1.00 0.35 H new ATOM 1632 N TYR A 101 8.795 -1.030 -2.325 1.00 0.13 N ATOM 1633 CA TYR A 101 9.718 -2.164 -2.318 1.00 0.16 C ATOM 1634 C TYR A 101 9.270 -3.218 -1.318 1.00 0.16 C ATOM 1635 O TYR A 101 8.787 -2.887 -0.234 1.00 0.19 O ATOM 1636 CB TYR A 101 11.158 -1.723 -2.005 1.00 0.19 C ATOM 1637 CG TYR A 101 11.883 -1.131 -3.194 1.00 0.21 C ATOM 1638 CD1 TYR A 101 11.344 -0.070 -3.904 1.00 0.20 C ATOM 1639 CD2 TYR A 101 13.103 -1.644 -3.611 1.00 0.26 C ATOM 1640 CE1 TYR A 101 11.992 0.461 -4.994 1.00 0.24 C ATOM 1641 CE2 TYR A 101 13.762 -1.113 -4.701 1.00 0.30 C ATOM 1642 CZ TYR A 101 13.199 -0.061 -5.389 1.00 0.28 C ATOM 1643 OH TYR A 101 13.844 0.471 -6.478 1.00 0.33 O ATOM 0 H TYR A 101 8.593 -0.646 -1.402 1.00 0.13 H new ATOM 0 HA TYR A 101 9.706 -2.595 -3.319 1.00 0.16 H new ATOM 0 HB2 TYR A 101 11.137 -0.988 -1.200 1.00 0.19 H new ATOM 0 HB3 TYR A 101 11.720 -2.582 -1.638 1.00 0.19 H new ATOM 0 HD1 TYR A 101 10.397 0.348 -3.595 1.00 0.20 H new ATOM 0 HD2 TYR A 101 13.543 -2.471 -3.074 1.00 0.26 H new ATOM 0 HE1 TYR A 101 11.554 1.285 -5.537 1.00 0.24 H new ATOM 0 HE2 TYR A 101 14.713 -1.520 -5.012 1.00 0.30 H new ATOM 0 HH TYR A 101 13.447 0.114 -7.300 1.00 0.33 H new ATOM 1653 N PHE A 102 9.417 -4.482 -1.697 1.00 0.16 N ATOM 1654 CA PHE A 102 9.090 -5.590 -0.813 1.00 0.16 C ATOM 1655 C PHE A 102 10.343 -6.333 -0.375 1.00 0.15 C ATOM 1656 O PHE A 102 11.313 -6.443 -1.123 1.00 0.19 O ATOM 1657 CB PHE A 102 8.151 -6.602 -1.486 1.00 0.20 C ATOM 1658 CG PHE A 102 6.715 -6.185 -1.550 1.00 0.16 C ATOM 1659 CD1 PHE A 102 6.235 -5.218 -0.701 1.00 0.24 C ATOM 1660 CD2 PHE A 102 5.840 -6.788 -2.438 1.00 0.25 C ATOM 1661 CE1 PHE A 102 4.916 -4.846 -0.723 1.00 0.27 C ATOM 1662 CE2 PHE A 102 4.510 -6.416 -2.474 1.00 0.34 C ATOM 1663 CZ PHE A 102 4.046 -5.442 -1.613 1.00 0.31 C ATOM 0 H PHE A 102 9.762 -4.764 -2.615 1.00 0.16 H new ATOM 0 HA PHE A 102 8.592 -5.150 0.051 1.00 0.16 H new ATOM 0 HB2 PHE A 102 8.506 -6.786 -2.500 1.00 0.20 H new ATOM 0 HB3 PHE A 102 8.216 -7.548 -0.949 1.00 0.20 H new ATOM 0 HD1 PHE A 102 6.909 -4.742 -0.004 1.00 0.24 H new ATOM 0 HD2 PHE A 102 6.200 -7.555 -3.108 1.00 0.25 H new ATOM 0 HE1 PHE A 102 4.558 -4.087 -0.044 1.00 0.27 H new ATOM 0 HE2 PHE A 102 3.835 -6.886 -3.174 1.00 0.34 H new ATOM 0 HZ PHE A 102 3.007 -5.148 -1.636 1.00 0.31 H new ATOM 1673 N LEU A 103 10.291 -6.853 0.834 1.00 0.16 N ATOM 1674 CA LEU A 103 11.342 -7.691 1.381 1.00 0.17 C ATOM 1675 C LEU A 103 10.830 -9.126 1.431 1.00 0.18 C ATOM 1676 O LEU A 103 9.835 -9.398 2.096 1.00 0.19 O ATOM 1677 CB LEU A 103 11.682 -7.206 2.802 1.00 0.18 C ATOM 1678 CG LEU A 103 13.038 -7.623 3.404 1.00 0.22 C ATOM 1679 CD1 LEU A 103 13.242 -9.131 3.388 1.00 0.22 C ATOM 1680 CD2 LEU A 103 14.194 -6.930 2.686 1.00 0.25 C ATOM 0 H LEU A 103 9.510 -6.705 1.473 1.00 0.16 H new ATOM 0 HA LEU A 103 12.238 -7.639 0.763 1.00 0.17 H new ATOM 0 HB2 LEU A 103 11.637 -6.117 2.803 1.00 0.18 H new ATOM 0 HB3 LEU A 103 10.897 -7.558 3.472 1.00 0.18 H new ATOM 0 HG LEU A 103 13.025 -7.304 4.446 1.00 0.22 H new ATOM 0 HD11 LEU A 103 14.212 -9.372 3.823 1.00 0.22 H new ATOM 0 HD12 LEU A 103 12.455 -9.611 3.969 1.00 0.22 H new ATOM 0 HD13 LEU A 103 13.206 -9.492 2.360 1.00 0.22 H new ATOM 0 HD21 LEU A 103 15.139 -7.243 3.131 1.00 0.25 H new ATOM 0 HD22 LEU A 103 14.183 -7.203 1.631 1.00 0.25 H new ATOM 0 HD23 LEU A 103 14.087 -5.850 2.783 1.00 0.25 H new ATOM 1692 N LYS A 104 11.468 -10.032 0.707 1.00 0.23 N ATOM 1693 CA LYS A 104 11.137 -11.443 0.821 1.00 0.29 C ATOM 1694 C LYS A 104 12.387 -12.258 1.122 1.00 0.33 C ATOM 1695 O LYS A 104 13.261 -12.418 0.267 1.00 0.39 O ATOM 1696 CB LYS A 104 10.438 -11.966 -0.432 1.00 0.42 C ATOM 1697 CG LYS A 104 8.986 -11.522 -0.533 1.00 0.60 C ATOM 1698 CD LYS A 104 8.838 -10.246 -1.344 1.00 0.64 C ATOM 1699 CE LYS A 104 8.440 -10.527 -2.791 1.00 0.66 C ATOM 1700 NZ LYS A 104 9.445 -11.352 -3.515 1.00 1.22 N ATOM 0 H LYS A 104 12.210 -9.819 0.041 1.00 0.23 H new ATOM 0 HA LYS A 104 10.438 -11.553 1.650 1.00 0.29 H new ATOM 0 HB2 LYS A 104 10.979 -11.622 -1.313 1.00 0.42 H new ATOM 0 HB3 LYS A 104 10.480 -13.055 -0.437 1.00 0.42 H new ATOM 0 HG2 LYS A 104 8.395 -12.315 -0.992 1.00 0.60 H new ATOM 0 HG3 LYS A 104 8.584 -11.364 0.468 1.00 0.60 H new ATOM 0 HD2 LYS A 104 8.087 -9.607 -0.880 1.00 0.64 H new ATOM 0 HD3 LYS A 104 9.779 -9.696 -1.328 1.00 0.64 H new ATOM 0 HE2 LYS A 104 7.478 -11.039 -2.806 1.00 0.66 H new ATOM 0 HE3 LYS A 104 8.306 -9.581 -3.317 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 9.295 -11.262 -4.540 1.00 1.22 H new ATOM 0 HZ2 LYS A 104 10.402 -11.023 -3.275 1.00 1.22 H new ATOM 0 HZ3 LYS A 104 9.341 -12.349 -3.237 1.00 1.22 H new ATOM 1714 N GLY A 105 12.472 -12.753 2.351 1.00 0.34 N ATOM 1715 CA GLY A 105 13.651 -13.473 2.789 1.00 0.42 C ATOM 1716 C GLY A 105 14.829 -12.541 2.974 1.00 0.40 C ATOM 1717 O GLY A 105 14.945 -11.865 3.994 1.00 0.40 O ATOM 0 H GLY A 105 11.740 -12.667 3.056 1.00 0.34 H new ATOM 0 HA2 GLY A 105 13.439 -13.985 3.728 1.00 0.42 H new ATOM 0 HA3 GLY A 105 13.903 -14.240 2.057 1.00 0.42 H new ATOM 1721 N SER A 106 15.707 -12.512 1.989 1.00 0.40 N ATOM 1722 CA SER A 106 16.806 -11.565 1.967 1.00 0.41 C ATOM 1723 C SER A 106 16.816 -10.817 0.640 1.00 0.37 C ATOM 1724 O SER A 106 17.624 -9.921 0.423 1.00 0.41 O ATOM 1725 CB SER A 106 18.135 -12.290 2.172 1.00 0.52 C ATOM 1726 OG SER A 106 18.131 -13.032 3.384 1.00 1.31 O ATOM 0 H SER A 106 15.679 -13.140 1.186 1.00 0.40 H new ATOM 0 HA SER A 106 16.672 -10.850 2.778 1.00 0.41 H new ATOM 0 HB2 SER A 106 18.321 -12.960 1.332 1.00 0.52 H new ATOM 0 HB3 SER A 106 18.949 -11.566 2.188 1.00 0.52 H new ATOM 0 HG SER A 106 18.992 -13.488 3.491 1.00 1.31 H new ATOM 1732 N LYS A 107 15.911 -11.194 -0.246 1.00 0.36 N ATOM 1733 CA LYS A 107 15.847 -10.602 -1.568 1.00 0.37 C ATOM 1734 C LYS A 107 14.765 -9.524 -1.627 1.00 0.32 C ATOM 1735 O LYS A 107 13.577 -9.809 -1.466 1.00 0.39 O ATOM 1736 CB LYS A 107 15.581 -11.691 -2.615 1.00 0.47 C ATOM 1737 CG LYS A 107 15.480 -11.174 -4.042 1.00 0.65 C ATOM 1738 CD LYS A 107 16.741 -10.441 -4.464 1.00 0.95 C ATOM 1739 CE LYS A 107 16.657 -9.972 -5.906 1.00 1.57 C ATOM 1740 NZ LYS A 107 16.615 -11.107 -6.863 1.00 2.27 N ATOM 0 H LYS A 107 15.207 -11.911 -0.071 1.00 0.36 H new ATOM 0 HA LYS A 107 16.805 -10.130 -1.786 1.00 0.37 H new ATOM 0 HB2 LYS A 107 16.380 -12.431 -2.564 1.00 0.47 H new ATOM 0 HB3 LYS A 107 14.654 -12.205 -2.360 1.00 0.47 H new ATOM 0 HG2 LYS A 107 15.300 -12.009 -4.720 1.00 0.65 H new ATOM 0 HG3 LYS A 107 14.624 -10.504 -4.127 1.00 0.65 H new ATOM 0 HD2 LYS A 107 16.900 -9.583 -3.810 1.00 0.95 H new ATOM 0 HD3 LYS A 107 17.602 -11.098 -4.344 1.00 0.95 H new ATOM 0 HE2 LYS A 107 15.766 -9.357 -6.035 1.00 1.57 H new ATOM 0 HE3 LYS A 107 17.516 -9.340 -6.132 1.00 1.57 H new ATOM 0 HZ1 LYS A 107 16.763 -10.752 -7.829 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 17.364 -11.789 -6.626 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 15.689 -11.576 -6.804 1.00 2.27 H new ATOM 1754 N VAL A 108 15.192 -8.287 -1.829 1.00 0.24 N ATOM 1755 CA VAL A 108 14.272 -7.172 -2.002 1.00 0.22 C ATOM 1756 C VAL A 108 13.806 -7.083 -3.456 1.00 0.23 C ATOM 1757 O VAL A 108 14.582 -7.323 -4.384 1.00 0.30 O ATOM 1758 CB VAL A 108 14.933 -5.839 -1.589 1.00 0.26 C ATOM 1759 CG1 VAL A 108 16.195 -5.588 -2.400 1.00 0.74 C ATOM 1760 CG2 VAL A 108 13.959 -4.679 -1.735 1.00 0.79 C ATOM 0 H VAL A 108 16.177 -8.028 -1.877 1.00 0.24 H new ATOM 0 HA VAL A 108 13.410 -7.349 -1.358 1.00 0.22 H new ATOM 0 HB VAL A 108 15.212 -5.914 -0.538 1.00 0.26 H new ATOM 0 HG11 VAL A 108 16.644 -4.644 -2.092 1.00 0.74 H new ATOM 0 HG12 VAL A 108 16.904 -6.399 -2.231 1.00 0.74 H new ATOM 0 HG13 VAL A 108 15.943 -5.542 -3.460 1.00 0.74 H new ATOM 0 HG21 VAL A 108 14.450 -3.752 -1.438 1.00 0.79 H new ATOM 0 HG22 VAL A 108 13.638 -4.602 -2.774 1.00 0.79 H new ATOM 0 HG23 VAL A 108 13.091 -4.850 -1.098 1.00 0.79 H new ATOM 1770 N MET A 109 12.534 -6.759 -3.641 1.00 0.22 N ATOM 1771 CA MET A 109 11.962 -6.589 -4.969 1.00 0.27 C ATOM 1772 C MET A 109 11.024 -5.388 -5.002 1.00 0.24 C ATOM 1773 O MET A 109 10.092 -5.305 -4.203 1.00 0.25 O ATOM 1774 CB MET A 109 11.197 -7.845 -5.389 1.00 0.36 C ATOM 1775 CG MET A 109 12.085 -8.990 -5.840 1.00 0.44 C ATOM 1776 SD MET A 109 11.137 -10.447 -6.314 1.00 1.47 S ATOM 1777 CE MET A 109 12.446 -11.525 -6.887 1.00 1.85 C ATOM 0 H MET A 109 11.873 -6.607 -2.879 1.00 0.22 H new ATOM 0 HA MET A 109 12.781 -6.419 -5.667 1.00 0.27 H new ATOM 0 HB2 MET A 109 10.585 -8.182 -4.552 1.00 0.36 H new ATOM 0 HB3 MET A 109 10.515 -7.588 -6.199 1.00 0.36 H new ATOM 0 HG2 MET A 109 12.693 -8.664 -6.684 1.00 0.44 H new ATOM 0 HG3 MET A 109 12.772 -9.252 -5.035 1.00 0.44 H new ATOM 0 HE1 MET A 109 12.019 -12.472 -7.216 1.00 1.85 H new ATOM 0 HE2 MET A 109 12.968 -11.053 -7.720 1.00 1.85 H new ATOM 0 HE3 MET A 109 13.149 -11.707 -6.074 1.00 1.85 H new ATOM 1787 N PRO A 110 11.268 -4.434 -5.911 1.00 0.24 N ATOM 1788 CA PRO A 110 10.398 -3.267 -6.088 1.00 0.23 C ATOM 1789 C PRO A 110 9.063 -3.631 -6.737 1.00 0.21 C ATOM 1790 O PRO A 110 8.950 -4.648 -7.424 1.00 0.20 O ATOM 1791 CB PRO A 110 11.215 -2.362 -7.008 1.00 0.27 C ATOM 1792 CG PRO A 110 12.064 -3.296 -7.784 1.00 0.29 C ATOM 1793 CD PRO A 110 12.418 -4.401 -6.835 1.00 0.28 C ATOM 0 HA PRO A 110 10.131 -2.804 -5.138 1.00 0.23 H new ATOM 0 HB2 PRO A 110 10.571 -1.774 -7.662 1.00 0.27 H new ATOM 0 HB3 PRO A 110 11.819 -1.657 -6.437 1.00 0.27 H new ATOM 0 HG2 PRO A 110 11.530 -3.681 -8.653 1.00 0.29 H new ATOM 0 HG3 PRO A 110 12.959 -2.796 -8.155 1.00 0.29 H new ATOM 0 HD2 PRO A 110 12.545 -5.351 -7.353 1.00 0.28 H new ATOM 0 HD3 PRO A 110 13.351 -4.197 -6.310 1.00 0.28 H new ATOM 1801 N LEU A 111 8.059 -2.796 -6.512 1.00 0.23 N ATOM 1802 CA LEU A 111 6.728 -3.023 -7.058 1.00 0.22 C ATOM 1803 C LEU A 111 6.656 -2.479 -8.481 1.00 0.22 C ATOM 1804 O LEU A 111 7.099 -1.361 -8.751 1.00 0.26 O ATOM 1805 CB LEU A 111 5.678 -2.314 -6.192 1.00 0.27 C ATOM 1806 CG LEU A 111 4.327 -3.018 -6.014 1.00 0.27 C ATOM 1807 CD1 LEU A 111 3.872 -3.736 -7.277 1.00 0.24 C ATOM 1808 CD2 LEU A 111 4.391 -3.979 -4.846 1.00 0.31 C ATOM 0 H LEU A 111 8.142 -1.948 -5.951 1.00 0.23 H new ATOM 0 HA LEU A 111 6.527 -4.094 -7.065 1.00 0.22 H new ATOM 0 HB2 LEU A 111 6.108 -2.153 -5.203 1.00 0.27 H new ATOM 0 HB3 LEU A 111 5.492 -1.330 -6.623 1.00 0.27 H new ATOM 0 HG LEU A 111 3.584 -2.248 -5.807 1.00 0.27 H new ATOM 0 HD11 LEU A 111 2.911 -4.217 -7.096 1.00 0.24 H new ATOM 0 HD12 LEU A 111 3.770 -3.015 -8.088 1.00 0.24 H new ATOM 0 HD13 LEU A 111 4.609 -4.490 -7.552 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.427 -4.473 -4.728 1.00 0.31 H new ATOM 0 HD22 LEU A 111 5.162 -4.727 -5.032 1.00 0.31 H new ATOM 0 HD23 LEU A 111 4.630 -3.430 -3.936 1.00 0.31 H new ATOM 1820 N ASN A 112 6.089 -3.264 -9.377 1.00 0.22 N ATOM 1821 CA ASN A 112 5.905 -2.839 -10.753 1.00 0.25 C ATOM 1822 C ASN A 112 4.554 -2.146 -10.894 1.00 0.23 C ATOM 1823 O ASN A 112 3.533 -2.651 -10.422 1.00 0.22 O ATOM 1824 CB ASN A 112 6.000 -4.044 -11.693 1.00 0.29 C ATOM 1825 CG ASN A 112 5.818 -3.676 -13.154 1.00 1.06 C ATOM 1826 OD1 ASN A 112 6.131 -2.562 -13.578 1.00 1.85 O ATOM 1827 ND2 ASN A 112 5.322 -4.618 -13.939 1.00 1.69 N ATOM 0 H ASN A 112 5.746 -4.203 -9.176 1.00 0.22 H new ATOM 0 HA ASN A 112 6.691 -2.134 -11.025 1.00 0.25 H new ATOM 0 HB2 ASN A 112 6.971 -4.523 -11.563 1.00 0.29 H new ATOM 0 HB3 ASN A 112 5.243 -4.777 -11.412 1.00 0.29 H new ATOM 0 HD21 ASN A 112 5.187 -4.434 -14.933 1.00 1.69 H new ATOM 0 HD22 ASN A 112 5.075 -5.528 -13.550 1.00 1.69 H new ATOM 1834 N THR A 113 4.567 -0.976 -11.521 1.00 0.29 N ATOM 1835 CA THR A 113 3.379 -0.140 -11.640 1.00 0.31 C ATOM 1836 C THR A 113 2.216 -0.886 -12.301 1.00 0.28 C ATOM 1837 O THR A 113 2.330 -1.359 -13.432 1.00 0.32 O ATOM 1838 CB THR A 113 3.681 1.121 -12.461 1.00 0.41 C ATOM 1839 OG1 THR A 113 4.889 1.730 -11.989 1.00 0.47 O ATOM 1840 CG2 THR A 113 2.532 2.105 -12.348 1.00 0.45 C ATOM 0 H THR A 113 5.399 -0.581 -11.960 1.00 0.29 H new ATOM 0 HA THR A 113 3.089 0.134 -10.626 1.00 0.31 H new ATOM 0 HB THR A 113 3.805 0.840 -13.507 1.00 0.41 H new ATOM 0 HG1 THR A 113 5.078 2.533 -12.517 1.00 0.47 H new ATOM 0 HG21 THR A 113 2.757 2.996 -12.934 1.00 0.45 H new ATOM 0 HG22 THR A 113 1.619 1.643 -12.725 1.00 0.45 H new ATOM 0 HG23 THR A 113 2.393 2.384 -11.303 1.00 0.45 H new ATOM 1848 N GLY A 114 1.108 -0.983 -11.579 1.00 0.26 N ATOM 1849 CA GLY A 114 -0.100 -1.582 -12.108 1.00 0.27 C ATOM 1850 C GLY A 114 -0.005 -3.083 -12.271 1.00 0.28 C ATOM 1851 O GLY A 114 -0.812 -3.690 -12.977 1.00 0.38 O ATOM 0 H GLY A 114 1.025 -0.650 -10.618 1.00 0.26 H new ATOM 0 HA2 GLY A 114 -0.933 -1.348 -11.445 1.00 0.27 H new ATOM 0 HA3 GLY A 114 -0.326 -1.133 -13.075 1.00 0.27 H new ATOM 1855 N GLU A 115 0.974 -3.686 -11.625 1.00 0.26 N ATOM 1856 CA GLU A 115 1.105 -5.129 -11.633 1.00 0.27 C ATOM 1857 C GLU A 115 0.846 -5.668 -10.243 1.00 0.24 C ATOM 1858 O GLU A 115 1.488 -5.247 -9.282 1.00 0.23 O ATOM 1859 CB GLU A 115 2.502 -5.543 -12.099 1.00 0.30 C ATOM 1860 CG GLU A 115 2.701 -7.052 -12.163 1.00 0.38 C ATOM 1861 CD GLU A 115 4.017 -7.448 -12.801 1.00 1.07 C ATOM 1862 OE1 GLU A 115 5.077 -7.007 -12.312 1.00 1.93 O ATOM 1863 OE2 GLU A 115 4.004 -8.208 -13.789 1.00 1.19 O ATOM 0 H GLU A 115 1.691 -3.198 -11.088 1.00 0.26 H new ATOM 0 HA GLU A 115 0.374 -5.543 -12.328 1.00 0.27 H new ATOM 0 HB2 GLU A 115 2.688 -5.118 -13.086 1.00 0.30 H new ATOM 0 HB3 GLU A 115 3.243 -5.115 -11.423 1.00 0.30 H new ATOM 0 HG2 GLU A 115 2.654 -7.462 -11.154 1.00 0.38 H new ATOM 0 HG3 GLU A 115 1.881 -7.498 -12.727 1.00 0.38 H new ATOM 1870 N PRO A 116 -0.130 -6.570 -10.103 1.00 0.27 N ATOM 1871 CA PRO A 116 -0.358 -7.264 -8.847 1.00 0.26 C ATOM 1872 C PRO A 116 0.852 -8.112 -8.493 1.00 0.23 C ATOM 1873 O PRO A 116 1.141 -9.116 -9.146 1.00 0.27 O ATOM 1874 CB PRO A 116 -1.595 -8.128 -9.125 1.00 0.33 C ATOM 1875 CG PRO A 116 -2.223 -7.520 -10.332 1.00 0.68 C ATOM 1876 CD PRO A 116 -1.086 -6.979 -11.141 1.00 0.34 C ATOM 0 HA PRO A 116 -0.511 -6.594 -8.001 1.00 0.26 H new ATOM 0 HB2 PRO A 116 -1.319 -9.167 -9.304 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -2.280 -8.122 -8.277 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -2.789 -8.261 -10.896 1.00 0.68 H new ATOM 0 HG3 PRO A 116 -2.920 -6.729 -10.056 1.00 0.68 H new ATOM 0 HD2 PRO A 116 -0.666 -7.733 -11.807 1.00 0.34 H new ATOM 0 HD3 PRO A 116 -1.394 -6.139 -11.764 1.00 0.34 H new ATOM 1884 N PHE A 117 1.551 -7.700 -7.455 1.00 0.20 N ATOM 1885 CA PHE A 117 2.821 -8.307 -7.101 1.00 0.21 C ATOM 1886 C PHE A 117 2.710 -8.991 -5.746 1.00 0.21 C ATOM 1887 O PHE A 117 1.990 -8.524 -4.863 1.00 0.19 O ATOM 1888 CB PHE A 117 3.909 -7.229 -7.096 1.00 0.23 C ATOM 1889 CG PHE A 117 5.316 -7.746 -6.957 1.00 0.28 C ATOM 1890 CD1 PHE A 117 6.258 -7.012 -6.258 1.00 0.29 C ATOM 1891 CD2 PHE A 117 5.696 -8.956 -7.519 1.00 0.34 C ATOM 1892 CE1 PHE A 117 7.553 -7.474 -6.120 1.00 0.35 C ATOM 1893 CE2 PHE A 117 6.989 -9.421 -7.383 1.00 0.40 C ATOM 1894 CZ PHE A 117 7.919 -8.680 -6.683 1.00 0.41 C ATOM 0 H PHE A 117 1.260 -6.942 -6.837 1.00 0.20 H new ATOM 0 HA PHE A 117 3.089 -9.067 -7.835 1.00 0.21 H new ATOM 0 HB2 PHE A 117 3.838 -6.658 -8.022 1.00 0.23 H new ATOM 0 HB3 PHE A 117 3.710 -6.537 -6.278 1.00 0.23 H new ATOM 0 HD1 PHE A 117 5.978 -6.068 -5.815 1.00 0.29 H new ATOM 0 HD2 PHE A 117 4.973 -9.540 -8.069 1.00 0.34 H new ATOM 0 HE1 PHE A 117 8.279 -6.892 -5.572 1.00 0.35 H new ATOM 0 HE2 PHE A 117 7.273 -10.365 -7.825 1.00 0.40 H new ATOM 0 HZ PHE A 117 8.931 -9.043 -6.576 1.00 0.41 H new ATOM 1904 N VAL A 118 3.412 -10.111 -5.608 1.00 0.25 N ATOM 1905 CA VAL A 118 3.314 -10.958 -4.427 1.00 0.28 C ATOM 1906 C VAL A 118 3.642 -10.210 -3.138 1.00 0.26 C ATOM 1907 O VAL A 118 4.791 -9.855 -2.872 1.00 0.29 O ATOM 1908 CB VAL A 118 4.209 -12.216 -4.555 1.00 0.35 C ATOM 1909 CG1 VAL A 118 5.628 -11.850 -4.964 1.00 0.65 C ATOM 1910 CG2 VAL A 118 4.214 -13.005 -3.254 1.00 0.71 C ATOM 0 H VAL A 118 4.064 -10.456 -6.312 1.00 0.25 H new ATOM 0 HA VAL A 118 2.272 -11.273 -4.368 1.00 0.28 H new ATOM 0 HB VAL A 118 3.788 -12.843 -5.341 1.00 0.35 H new ATOM 0 HG11 VAL A 118 6.229 -12.756 -5.044 1.00 0.65 H new ATOM 0 HG12 VAL A 118 5.609 -11.340 -5.927 1.00 0.65 H new ATOM 0 HG13 VAL A 118 6.064 -11.191 -4.214 1.00 0.65 H new ATOM 0 HG21 VAL A 118 4.848 -13.885 -3.364 1.00 0.71 H new ATOM 0 HG22 VAL A 118 4.600 -12.378 -2.450 1.00 0.71 H new ATOM 0 HG23 VAL A 118 3.198 -13.318 -3.014 1.00 0.71 H new ATOM 1920 N VAL A 119 2.606 -9.965 -2.352 1.00 0.23 N ATOM 1921 CA VAL A 119 2.756 -9.373 -1.036 1.00 0.22 C ATOM 1922 C VAL A 119 2.409 -10.409 0.031 1.00 0.23 C ATOM 1923 O VAL A 119 2.665 -10.222 1.225 1.00 0.23 O ATOM 1924 CB VAL A 119 1.853 -8.132 -0.877 1.00 0.21 C ATOM 1925 CG1 VAL A 119 0.391 -8.509 -0.994 1.00 0.21 C ATOM 1926 CG2 VAL A 119 2.114 -7.450 0.448 1.00 0.22 C ATOM 0 H VAL A 119 1.641 -10.171 -2.609 1.00 0.23 H new ATOM 0 HA VAL A 119 3.791 -9.054 -0.917 1.00 0.22 H new ATOM 0 HB VAL A 119 2.093 -7.436 -1.681 1.00 0.21 H new ATOM 0 HG11 VAL A 119 -0.225 -7.617 -0.878 1.00 0.21 H new ATOM 0 HG12 VAL A 119 0.207 -8.953 -1.972 1.00 0.21 H new ATOM 0 HG13 VAL A 119 0.137 -9.229 -0.216 1.00 0.21 H new ATOM 0 HG21 VAL A 119 1.468 -6.577 0.542 1.00 0.22 H new ATOM 0 HG22 VAL A 119 1.906 -8.145 1.262 1.00 0.22 H new ATOM 0 HG23 VAL A 119 3.157 -7.136 0.497 1.00 0.22 H new ATOM 1936 N GLN A 120 1.836 -11.517 -0.410 1.00 0.27 N ATOM 1937 CA GLN A 120 1.448 -12.567 0.505 1.00 0.33 C ATOM 1938 C GLN A 120 2.679 -13.248 1.089 1.00 0.45 C ATOM 1939 O GLN A 120 3.529 -13.765 0.360 1.00 1.35 O ATOM 1940 CB GLN A 120 0.532 -13.589 -0.177 1.00 0.32 C ATOM 1941 CG GLN A 120 1.154 -14.322 -1.354 1.00 0.37 C ATOM 1942 CD GLN A 120 0.231 -15.378 -1.928 1.00 0.45 C ATOM 1943 OE1 GLN A 120 -0.606 -15.938 -1.221 1.00 1.23 O ATOM 1944 NE2 GLN A 120 0.391 -15.678 -3.205 1.00 1.21 N ATOM 0 H GLN A 120 1.632 -11.708 -1.391 1.00 0.27 H new ATOM 0 HA GLN A 120 0.886 -12.112 1.320 1.00 0.33 H new ATOM 0 HB2 GLN A 120 0.217 -14.324 0.564 1.00 0.32 H new ATOM 0 HB3 GLN A 120 -0.367 -13.077 -0.521 1.00 0.32 H new ATOM 0 HG2 GLN A 120 1.409 -13.603 -2.133 1.00 0.37 H new ATOM 0 HG3 GLN A 120 2.085 -14.791 -1.036 1.00 0.37 H new ATOM 0 HE21 GLN A 120 1.096 -15.191 -3.759 1.00 1.21 H new ATOM 0 HE22 GLN A 120 -0.191 -16.396 -3.637 1.00 1.21 H new ATOM 1953 N ASP A 121 2.775 -13.202 2.411 1.00 0.72 N ATOM 1954 CA ASP A 121 3.875 -13.818 3.145 1.00 0.76 C ATOM 1955 C ASP A 121 5.214 -13.185 2.764 1.00 0.65 C ATOM 1956 O ASP A 121 6.230 -13.865 2.612 1.00 0.96 O ATOM 1957 CB ASP A 121 3.898 -15.339 2.928 1.00 0.96 C ATOM 1958 CG ASP A 121 4.923 -16.045 3.797 1.00 1.47 C ATOM 1959 OD1 ASP A 121 5.727 -16.835 3.258 1.00 1.55 O ATOM 1960 OD2 ASP A 121 4.935 -15.803 5.025 1.00 2.35 O ATOM 0 H ASP A 121 2.091 -12.736 3.007 1.00 0.72 H new ATOM 0 HA ASP A 121 3.713 -13.635 4.207 1.00 0.76 H new ATOM 0 HB2 ASP A 121 2.909 -15.746 3.139 1.00 0.96 H new ATOM 0 HB3 ASP A 121 4.112 -15.548 1.880 1.00 0.96 H new ATOM 1965 N ILE A 122 5.210 -11.871 2.587 1.00 0.37 N ATOM 1966 CA ILE A 122 6.458 -11.138 2.475 1.00 0.29 C ATOM 1967 C ILE A 122 7.063 -10.998 3.861 1.00 0.24 C ATOM 1968 O ILE A 122 6.467 -11.421 4.851 1.00 0.32 O ATOM 1969 CB ILE A 122 6.290 -9.726 1.859 1.00 0.29 C ATOM 1970 CG1 ILE A 122 5.355 -8.866 2.722 1.00 0.26 C ATOM 1971 CG2 ILE A 122 5.768 -9.833 0.437 1.00 0.36 C ATOM 1972 CD1 ILE A 122 5.379 -7.389 2.380 1.00 0.31 C ATOM 0 H ILE A 122 4.368 -11.299 2.519 1.00 0.37 H new ATOM 0 HA ILE A 122 7.104 -11.703 1.803 1.00 0.29 H new ATOM 0 HB ILE A 122 7.265 -9.239 1.832 1.00 0.29 H new ATOM 0 HG12 ILE A 122 4.336 -9.236 2.614 1.00 0.26 H new ATOM 0 HG13 ILE A 122 5.629 -8.990 3.770 1.00 0.26 H new ATOM 0 HG21 ILE A 122 5.654 -8.834 0.015 1.00 0.36 H new ATOM 0 HG22 ILE A 122 6.473 -10.404 -0.167 1.00 0.36 H new ATOM 0 HG23 ILE A 122 4.802 -10.337 0.441 1.00 0.36 H new ATOM 0 HD11 ILE A 122 4.692 -6.853 3.035 1.00 0.31 H new ATOM 0 HD12 ILE A 122 6.388 -7.000 2.517 1.00 0.31 H new ATOM 0 HD13 ILE A 122 5.074 -7.251 1.343 1.00 0.31 H new ATOM 1984 N ASP A 123 8.235 -10.424 3.937 1.00 0.23 N ATOM 1985 CA ASP A 123 8.843 -10.145 5.219 1.00 0.25 C ATOM 1986 C ASP A 123 8.517 -8.724 5.631 1.00 0.25 C ATOM 1987 O ASP A 123 8.112 -8.463 6.761 1.00 0.29 O ATOM 1988 CB ASP A 123 10.356 -10.344 5.155 1.00 0.26 C ATOM 1989 CG ASP A 123 10.756 -11.806 5.115 1.00 0.32 C ATOM 1990 OD1 ASP A 123 10.405 -12.492 4.129 1.00 0.30 O ATOM 1991 OD2 ASP A 123 11.429 -12.278 6.057 1.00 0.50 O ATOM 0 H ASP A 123 8.790 -10.140 3.130 1.00 0.23 H new ATOM 0 HA ASP A 123 8.443 -10.838 5.959 1.00 0.25 H new ATOM 0 HB2 ASP A 123 10.747 -9.841 4.270 1.00 0.26 H new ATOM 0 HB3 ASP A 123 10.817 -9.870 6.021 1.00 0.26 H new ATOM 1996 N ALA A 124 8.686 -7.803 4.707 1.00 0.21 N ATOM 1997 CA ALA A 124 8.428 -6.406 4.987 1.00 0.21 C ATOM 1998 C ALA A 124 8.169 -5.640 3.697 1.00 0.19 C ATOM 1999 O ALA A 124 8.457 -6.134 2.608 1.00 0.19 O ATOM 2000 CB ALA A 124 9.620 -5.811 5.725 1.00 0.22 C ATOM 0 H ALA A 124 9.001 -7.995 3.756 1.00 0.21 H new ATOM 0 HA ALA A 124 7.539 -6.326 5.612 1.00 0.21 H new ATOM 0 HB1 ALA A 124 9.429 -4.759 5.937 1.00 0.22 H new ATOM 0 HB2 ALA A 124 9.773 -6.348 6.661 1.00 0.22 H new ATOM 0 HB3 ALA A 124 10.513 -5.900 5.106 1.00 0.22 H new ATOM 2006 N MET A 125 7.614 -4.450 3.827 1.00 0.19 N ATOM 2007 CA MET A 125 7.493 -3.525 2.708 1.00 0.16 C ATOM 2008 C MET A 125 7.899 -2.117 3.166 1.00 0.16 C ATOM 2009 O MET A 125 7.781 -1.791 4.341 1.00 0.18 O ATOM 2010 CB MET A 125 6.069 -3.504 2.108 1.00 0.24 C ATOM 2011 CG MET A 125 5.820 -2.211 1.342 1.00 0.31 C ATOM 2012 SD MET A 125 4.481 -2.170 0.170 1.00 1.16 S ATOM 2013 CE MET A 125 4.497 -0.415 -0.174 1.00 0.73 C ATOM 0 H MET A 125 7.235 -4.095 4.705 1.00 0.19 H new ATOM 0 HA MET A 125 8.161 -3.869 1.919 1.00 0.16 H new ATOM 0 HB2 MET A 125 5.938 -4.357 1.442 1.00 0.24 H new ATOM 0 HB3 MET A 125 5.333 -3.606 2.905 1.00 0.24 H new ATOM 0 HG2 MET A 125 5.648 -1.420 2.072 1.00 0.31 H new ATOM 0 HG3 MET A 125 6.737 -1.958 0.809 1.00 0.31 H new ATOM 0 HE1 MET A 125 3.572 -0.135 -0.678 1.00 0.73 H new ATOM 0 HE2 MET A 125 4.583 0.138 0.761 1.00 0.73 H new ATOM 0 HE3 MET A 125 5.346 -0.178 -0.815 1.00 0.73 H new ATOM 2023 N SER A 126 8.399 -1.302 2.245 1.00 0.16 N ATOM 2024 CA SER A 126 8.766 0.079 2.556 1.00 0.18 C ATOM 2025 C SER A 126 8.523 0.967 1.345 1.00 0.22 C ATOM 2026 O SER A 126 8.500 0.488 0.207 1.00 0.29 O ATOM 2027 CB SER A 126 10.229 0.175 2.993 1.00 0.24 C ATOM 2028 OG SER A 126 10.468 -0.565 4.180 1.00 1.22 O ATOM 0 H SER A 126 8.561 -1.572 1.275 1.00 0.16 H new ATOM 0 HA SER A 126 8.142 0.419 3.383 1.00 0.18 H new ATOM 0 HB2 SER A 126 10.873 -0.197 2.196 1.00 0.24 H new ATOM 0 HB3 SER A 126 10.493 1.220 3.155 1.00 0.24 H new ATOM 0 HG SER A 126 10.681 -1.493 3.949 1.00 1.22 H new ATOM 2034 N VAL A 127 8.327 2.256 1.589 1.00 0.21 N ATOM 2035 CA VAL A 127 8.032 3.195 0.519 1.00 0.23 C ATOM 2036 C VAL A 127 9.031 4.346 0.536 1.00 0.22 C ATOM 2037 O VAL A 127 9.017 5.170 1.451 1.00 0.19 O ATOM 2038 CB VAL A 127 6.607 3.779 0.655 1.00 0.23 C ATOM 2039 CG1 VAL A 127 6.115 4.307 -0.682 1.00 0.27 C ATOM 2040 CG2 VAL A 127 5.638 2.754 1.228 1.00 0.26 C ATOM 0 H VAL A 127 8.367 2.674 2.519 1.00 0.21 H new ATOM 0 HA VAL A 127 8.103 2.647 -0.421 1.00 0.23 H new ATOM 0 HB VAL A 127 6.653 4.612 1.356 1.00 0.23 H new ATOM 0 HG11 VAL A 127 5.110 4.714 -0.565 1.00 0.27 H new ATOM 0 HG12 VAL A 127 6.786 5.092 -1.032 1.00 0.27 H new ATOM 0 HG13 VAL A 127 6.095 3.495 -1.409 1.00 0.27 H new ATOM 0 HG21 VAL A 127 4.646 3.198 1.310 1.00 0.26 H new ATOM 0 HG22 VAL A 127 5.594 1.887 0.569 1.00 0.26 H new ATOM 0 HG23 VAL A 127 5.979 2.443 2.215 1.00 0.26 H new ATOM 2050 N LEU A 128 9.904 4.399 -0.463 1.00 0.28 N ATOM 2051 CA LEU A 128 10.875 5.486 -0.557 1.00 0.32 C ATOM 2052 C LEU A 128 10.443 6.448 -1.655 1.00 0.33 C ATOM 2053 O LEU A 128 9.960 6.016 -2.700 1.00 0.38 O ATOM 2054 CB LEU A 128 12.297 4.991 -0.888 1.00 0.43 C ATOM 2055 CG LEU A 128 12.884 3.837 -0.055 1.00 0.21 C ATOM 2056 CD1 LEU A 128 12.389 3.839 1.385 1.00 0.34 C ATOM 2057 CD2 LEU A 128 12.616 2.501 -0.723 1.00 0.42 C ATOM 0 H LEU A 128 9.961 3.710 -1.213 1.00 0.28 H new ATOM 0 HA LEU A 128 10.904 5.971 0.419 1.00 0.32 H new ATOM 0 HB2 LEU A 128 12.306 4.684 -1.934 1.00 0.43 H new ATOM 0 HB3 LEU A 128 12.973 5.841 -0.800 1.00 0.43 H new ATOM 0 HG LEU A 128 13.962 3.995 -0.012 1.00 0.21 H new ATOM 0 HD11 LEU A 128 12.836 3.004 1.924 1.00 0.34 H new ATOM 0 HD12 LEU A 128 12.673 4.775 1.866 1.00 0.34 H new ATOM 0 HD13 LEU A 128 11.304 3.740 1.397 1.00 0.34 H new ATOM 0 HD21 LEU A 128 13.039 1.700 -0.117 1.00 0.42 H new ATOM 0 HD22 LEU A 128 11.541 2.352 -0.821 1.00 0.42 H new ATOM 0 HD23 LEU A 128 13.075 2.490 -1.712 1.00 0.42 H new ATOM 2069 N PRO A 129 10.597 7.762 -1.446 1.00 0.35 N ATOM 2070 CA PRO A 129 10.288 8.747 -2.474 1.00 0.40 C ATOM 2071 C PRO A 129 11.427 8.929 -3.473 1.00 0.56 C ATOM 2072 O PRO A 129 12.532 9.315 -3.094 1.00 0.91 O ATOM 2073 CB PRO A 129 10.087 10.023 -1.672 1.00 0.47 C ATOM 2074 CG PRO A 129 10.989 9.870 -0.493 1.00 0.52 C ATOM 2075 CD PRO A 129 11.053 8.392 -0.193 1.00 0.41 C ATOM 0 HA PRO A 129 9.428 8.453 -3.076 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.346 10.905 -2.258 1.00 0.47 H new ATOM 0 HB3 PRO A 129 9.048 10.139 -1.364 1.00 0.47 H new ATOM 0 HG2 PRO A 129 11.981 10.265 -0.710 1.00 0.52 H new ATOM 0 HG3 PRO A 129 10.605 10.424 0.364 1.00 0.52 H new ATOM 0 HD2 PRO A 129 12.064 8.080 0.068 1.00 0.41 H new ATOM 0 HD3 PRO A 129 10.411 8.125 0.646 1.00 0.41 H new ATOM 2083 N LYS A 130 11.116 8.691 -4.749 1.00 0.43 N ATOM 2084 CA LYS A 130 12.065 8.823 -5.867 1.00 0.53 C ATOM 2085 C LYS A 130 13.332 7.979 -5.699 1.00 0.47 C ATOM 2086 O LYS A 130 13.513 6.980 -6.396 1.00 0.81 O ATOM 2087 CB LYS A 130 12.430 10.282 -6.125 1.00 0.74 C ATOM 2088 CG LYS A 130 11.406 10.992 -6.993 1.00 0.83 C ATOM 2089 CD LYS A 130 10.710 12.107 -6.244 1.00 1.76 C ATOM 2090 CE LYS A 130 9.893 11.581 -5.078 1.00 2.10 C ATOM 2091 NZ LYS A 130 9.292 12.687 -4.288 1.00 3.29 N ATOM 0 H LYS A 130 10.185 8.397 -5.044 1.00 0.43 H new ATOM 0 HA LYS A 130 11.540 8.431 -6.738 1.00 0.53 H new ATOM 0 HB2 LYS A 130 12.520 10.805 -5.173 1.00 0.74 H new ATOM 0 HB3 LYS A 130 13.406 10.329 -6.608 1.00 0.74 H new ATOM 0 HG2 LYS A 130 11.898 11.399 -7.876 1.00 0.83 H new ATOM 0 HG3 LYS A 130 10.666 10.273 -7.344 1.00 0.83 H new ATOM 0 HD2 LYS A 130 11.452 12.816 -5.877 1.00 1.76 H new ATOM 0 HD3 LYS A 130 10.059 12.652 -6.927 1.00 1.76 H new ATOM 0 HE2 LYS A 130 9.103 10.929 -5.451 1.00 2.10 H new ATOM 0 HE3 LYS A 130 10.528 10.975 -4.432 1.00 2.10 H new ATOM 0 HZ1 LYS A 130 8.741 12.291 -3.500 1.00 3.29 H new ATOM 0 HZ2 LYS A 130 10.047 13.295 -3.912 1.00 3.29 H new ATOM 0 HZ3 LYS A 130 8.667 13.250 -4.899 1.00 3.29 H new ATOM 2105 N GLY A 131 14.211 8.394 -4.796 1.00 0.43 N ATOM 2106 CA GLY A 131 15.445 7.674 -4.554 1.00 0.39 C ATOM 2107 C GLY A 131 15.218 6.364 -3.830 1.00 0.33 C ATOM 2108 O GLY A 131 15.517 6.231 -2.640 1.00 0.44 O ATOM 0 H GLY A 131 14.088 9.227 -4.221 1.00 0.43 H new ATOM 0 HA2 GLY A 131 15.941 7.479 -5.505 1.00 0.39 H new ATOM 0 HA3 GLY A 131 16.117 8.299 -3.966 1.00 0.39 H new ATOM 2112 N SER A 132 14.702 5.394 -4.561 1.00 0.31 N ATOM 2113 CA SER A 132 14.394 4.087 -4.020 1.00 0.36 C ATOM 2114 C SER A 132 15.658 3.250 -3.876 1.00 0.39 C ATOM 2115 O SER A 132 15.628 2.150 -3.320 1.00 0.44 O ATOM 2116 CB SER A 132 13.377 3.388 -4.916 1.00 0.49 C ATOM 2117 OG SER A 132 13.845 3.289 -6.251 1.00 1.23 O ATOM 0 H SER A 132 14.484 5.493 -5.553 1.00 0.31 H new ATOM 0 HA SER A 132 13.963 4.208 -3.026 1.00 0.36 H new ATOM 0 HB2 SER A 132 13.171 2.391 -4.526 1.00 0.49 H new ATOM 0 HB3 SER A 132 12.436 3.938 -4.899 1.00 0.49 H new ATOM 0 HG SER A 132 13.912 2.345 -6.505 1.00 1.23 H new ATOM 2123 N SER A 133 16.771 3.791 -4.372 1.00 0.40 N ATOM 2124 CA SER A 133 18.068 3.129 -4.303 1.00 0.48 C ATOM 2125 C SER A 133 18.441 2.779 -2.863 1.00 0.45 C ATOM 2126 O SER A 133 19.295 1.925 -2.627 1.00 0.51 O ATOM 2127 CB SER A 133 19.134 4.029 -4.928 1.00 0.58 C ATOM 2128 OG SER A 133 19.061 5.343 -4.403 1.00 1.30 O ATOM 0 H SER A 133 16.796 4.701 -4.832 1.00 0.40 H new ATOM 0 HA SER A 133 18.009 2.195 -4.861 1.00 0.48 H new ATOM 0 HB2 SER A 133 20.123 3.612 -4.739 1.00 0.58 H new ATOM 0 HB3 SER A 133 19.002 4.058 -6.010 1.00 0.58 H new ATOM 0 HG SER A 133 19.754 5.899 -4.817 1.00 1.30 H new ATOM 2134 N SER A 134 17.779 3.439 -1.913 1.00 0.40 N ATOM 2135 CA SER A 134 17.909 3.127 -0.495 1.00 0.39 C ATOM 2136 C SER A 134 17.761 1.628 -0.253 1.00 0.34 C ATOM 2137 O SER A 134 18.557 1.016 0.462 1.00 0.39 O ATOM 2138 CB SER A 134 16.825 3.874 0.282 1.00 0.39 C ATOM 2139 OG SER A 134 16.799 5.247 -0.079 1.00 0.44 O ATOM 0 H SER A 134 17.136 4.207 -2.108 1.00 0.40 H new ATOM 0 HA SER A 134 18.898 3.436 -0.157 1.00 0.39 H new ATOM 0 HB2 SER A 134 15.853 3.423 0.083 1.00 0.39 H new ATOM 0 HB3 SER A 134 17.008 3.778 1.352 1.00 0.39 H new ATOM 0 HG SER A 134 16.209 5.371 -0.851 1.00 0.44 H new ATOM 2145 N LEU A 135 16.739 1.045 -0.861 1.00 0.28 N ATOM 2146 CA LEU A 135 16.435 -0.356 -0.663 1.00 0.26 C ATOM 2147 C LEU A 135 16.583 -1.151 -1.959 1.00 0.28 C ATOM 2148 O LEU A 135 16.238 -2.327 -2.017 1.00 0.37 O ATOM 2149 CB LEU A 135 15.021 -0.471 -0.095 1.00 0.24 C ATOM 2150 CG LEU A 135 14.867 0.112 1.313 1.00 0.24 C ATOM 2151 CD1 LEU A 135 13.442 -0.038 1.805 1.00 0.25 C ATOM 2152 CD2 LEU A 135 15.843 -0.556 2.266 1.00 0.29 C ATOM 0 H LEU A 135 16.105 1.527 -1.498 1.00 0.28 H new ATOM 0 HA LEU A 135 17.146 -0.784 0.043 1.00 0.26 H new ATOM 0 HB2 LEU A 135 14.328 0.038 -0.766 1.00 0.24 H new ATOM 0 HB3 LEU A 135 14.732 -1.522 -0.076 1.00 0.24 H new ATOM 0 HG LEU A 135 15.096 1.177 1.275 1.00 0.24 H new ATOM 0 HD11 LEU A 135 13.357 0.383 2.807 1.00 0.25 H new ATOM 0 HD12 LEU A 135 12.767 0.489 1.131 1.00 0.25 H new ATOM 0 HD13 LEU A 135 13.176 -1.095 1.832 1.00 0.25 H new ATOM 0 HD21 LEU A 135 15.724 -0.133 3.264 1.00 0.29 H new ATOM 0 HD22 LEU A 135 15.643 -1.627 2.299 1.00 0.29 H new ATOM 0 HD23 LEU A 135 16.863 -0.388 1.920 1.00 0.29 H new ATOM 2164 N LYS A 136 17.114 -0.511 -2.995 1.00 0.30 N ATOM 2165 CA LYS A 136 17.329 -1.180 -4.269 1.00 0.35 C ATOM 2166 C LYS A 136 18.734 -1.770 -4.317 1.00 0.37 C ATOM 2167 O LYS A 136 19.655 -1.169 -4.877 1.00 0.42 O ATOM 2168 CB LYS A 136 17.143 -0.210 -5.433 1.00 0.40 C ATOM 2169 CG LYS A 136 17.015 -0.905 -6.777 1.00 0.46 C ATOM 2170 CD LYS A 136 17.266 0.046 -7.938 1.00 0.57 C ATOM 2171 CE LYS A 136 16.356 1.262 -7.891 1.00 0.98 C ATOM 2172 NZ LYS A 136 16.524 2.120 -9.088 1.00 1.66 N ATOM 0 H LYS A 136 17.402 0.467 -2.976 1.00 0.30 H new ATOM 0 HA LYS A 136 16.593 -1.979 -4.361 1.00 0.35 H new ATOM 0 HB2 LYS A 136 16.252 0.392 -5.257 1.00 0.40 H new ATOM 0 HB3 LYS A 136 17.990 0.475 -5.465 1.00 0.40 H new ATOM 0 HG2 LYS A 136 17.724 -1.732 -6.826 1.00 0.46 H new ATOM 0 HG3 LYS A 136 16.017 -1.334 -6.869 1.00 0.46 H new ATOM 0 HD2 LYS A 136 18.306 0.372 -7.920 1.00 0.57 H new ATOM 0 HD3 LYS A 136 17.114 -0.483 -8.879 1.00 0.57 H new ATOM 0 HE2 LYS A 136 15.318 0.937 -7.819 1.00 0.98 H new ATOM 0 HE3 LYS A 136 16.571 1.843 -6.994 1.00 0.98 H new ATOM 0 HZ1 LYS A 136 15.887 2.939 -9.020 1.00 1.66 H new ATOM 0 HZ2 LYS A 136 17.509 2.451 -9.143 1.00 1.66 H new ATOM 0 HZ3 LYS A 136 16.294 1.573 -9.942 1.00 1.66 H new ATOM 2186 N VAL A 137 18.891 -2.935 -3.723 1.00 0.37 N ATOM 2187 CA VAL A 137 20.178 -3.602 -3.668 1.00 0.42 C ATOM 2188 C VAL A 137 20.001 -5.091 -3.963 1.00 0.46 C ATOM 2189 O VAL A 137 18.909 -5.627 -3.766 1.00 0.51 O ATOM 2190 CB VAL A 137 20.848 -3.369 -2.287 1.00 0.41 C ATOM 2191 CG1 VAL A 137 19.891 -3.718 -1.159 1.00 0.34 C ATOM 2192 CG2 VAL A 137 22.150 -4.147 -2.149 1.00 0.51 C ATOM 0 H VAL A 137 18.135 -3.445 -3.266 1.00 0.37 H new ATOM 0 HA VAL A 137 20.837 -3.182 -4.428 1.00 0.42 H new ATOM 0 HB VAL A 137 21.094 -2.309 -2.219 1.00 0.41 H new ATOM 0 HG11 VAL A 137 20.381 -3.547 -0.200 1.00 0.34 H new ATOM 0 HG12 VAL A 137 19.002 -3.091 -1.229 1.00 0.34 H new ATOM 0 HG13 VAL A 137 19.603 -4.766 -1.238 1.00 0.34 H new ATOM 0 HG21 VAL A 137 22.586 -3.956 -1.168 1.00 0.51 H new ATOM 0 HG22 VAL A 137 21.950 -5.213 -2.255 1.00 0.51 H new ATOM 0 HG23 VAL A 137 22.847 -3.830 -2.924 1.00 0.51 H new ATOM 2202 N LYS A 138 21.041 -5.734 -4.486 1.00 0.50 N ATOM 2203 CA LYS A 138 20.988 -7.153 -4.852 1.00 0.57 C ATOM 2204 C LYS A 138 20.321 -7.999 -3.763 1.00 0.47 C ATOM 2205 O LYS A 138 19.458 -8.831 -4.050 1.00 0.53 O ATOM 2206 CB LYS A 138 22.394 -7.661 -5.148 1.00 0.69 C ATOM 2207 CG LYS A 138 23.369 -7.312 -4.054 1.00 1.22 C ATOM 2208 CD LYS A 138 24.808 -7.290 -4.542 1.00 1.34 C ATOM 2209 CE LYS A 138 25.050 -6.147 -5.514 1.00 1.59 C ATOM 2210 NZ LYS A 138 26.491 -5.995 -5.844 1.00 2.06 N ATOM 0 H LYS A 138 21.942 -5.292 -4.669 1.00 0.50 H new ATOM 0 HA LYS A 138 20.376 -7.249 -5.749 1.00 0.57 H new ATOM 0 HB2 LYS A 138 22.368 -8.743 -5.277 1.00 0.69 H new ATOM 0 HB3 LYS A 138 22.741 -7.236 -6.090 1.00 0.69 H new ATOM 0 HG2 LYS A 138 23.114 -6.336 -3.642 1.00 1.22 H new ATOM 0 HG3 LYS A 138 23.275 -8.035 -3.243 1.00 1.22 H new ATOM 0 HD2 LYS A 138 25.481 -7.193 -3.690 1.00 1.34 H new ATOM 0 HD3 LYS A 138 25.043 -8.237 -5.027 1.00 1.34 H new ATOM 0 HE2 LYS A 138 24.485 -6.323 -6.429 1.00 1.59 H new ATOM 0 HE3 LYS A 138 24.677 -5.218 -5.082 1.00 1.59 H new ATOM 0 HZ1 LYS A 138 26.613 -5.205 -6.509 1.00 2.06 H new ATOM 0 HZ2 LYS A 138 27.028 -5.802 -4.974 1.00 2.06 H new ATOM 0 HZ3 LYS A 138 26.842 -6.872 -6.279 1.00 2.06 H new ATOM 2224 N THR A 139 20.703 -7.755 -2.520 1.00 0.37 N ATOM 2225 CA THR A 139 20.088 -8.412 -1.380 1.00 0.29 C ATOM 2226 C THR A 139 19.904 -7.407 -0.256 1.00 0.25 C ATOM 2227 O THR A 139 20.687 -6.468 -0.124 1.00 0.28 O ATOM 2228 CB THR A 139 20.920 -9.610 -0.888 1.00 0.31 C ATOM 2229 OG1 THR A 139 22.198 -9.620 -1.543 1.00 0.39 O ATOM 2230 CG2 THR A 139 20.186 -10.921 -1.150 1.00 0.39 C ATOM 0 H THR A 139 21.445 -7.099 -2.274 1.00 0.37 H new ATOM 0 HA THR A 139 19.119 -8.798 -1.696 1.00 0.29 H new ATOM 0 HB THR A 139 21.070 -9.510 0.187 1.00 0.31 H new ATOM 0 HG1 THR A 139 22.723 -10.384 -1.224 1.00 0.39 H new ATOM 0 HG21 THR A 139 20.792 -11.755 -0.795 1.00 0.39 H new ATOM 0 HG22 THR A 139 19.232 -10.915 -0.623 1.00 0.39 H new ATOM 0 HG23 THR A 139 20.009 -11.031 -2.220 1.00 0.39 H new ATOM 2238 N MET A 140 18.881 -7.602 0.550 1.00 0.26 N ATOM 2239 CA MET A 140 18.443 -6.572 1.460 1.00 0.32 C ATOM 2240 C MET A 140 18.221 -7.135 2.860 1.00 0.34 C ATOM 2241 O MET A 140 17.718 -8.249 3.020 1.00 0.38 O ATOM 2242 CB MET A 140 17.160 -5.977 0.904 1.00 0.38 C ATOM 2243 CG MET A 140 17.021 -4.487 1.114 1.00 0.60 C ATOM 2244 SD MET A 140 16.591 -4.075 2.797 1.00 0.78 S ATOM 2245 CE MET A 140 17.994 -3.082 3.245 1.00 0.40 C ATOM 0 H MET A 140 18.339 -8.465 0.591 1.00 0.26 H new ATOM 0 HA MET A 140 19.208 -5.801 1.548 1.00 0.32 H new ATOM 0 HB2 MET A 140 17.109 -6.187 -0.164 1.00 0.38 H new ATOM 0 HB3 MET A 140 16.310 -6.478 1.368 1.00 0.38 H new ATOM 0 HG2 MET A 140 17.958 -3.997 0.851 1.00 0.60 H new ATOM 0 HG3 MET A 140 16.257 -4.097 0.441 1.00 0.60 H new ATOM 0 HE1 MET A 140 18.586 -3.606 3.995 1.00 0.40 H new ATOM 0 HE2 MET A 140 18.606 -2.898 2.362 1.00 0.40 H new ATOM 0 HE3 MET A 140 17.651 -2.131 3.653 1.00 0.40 H new ATOM 2255 N ALA A 141 18.621 -6.370 3.864 1.00 0.34 N ATOM 2256 CA ALA A 141 18.432 -6.767 5.251 1.00 0.38 C ATOM 2257 C ALA A 141 17.077 -6.291 5.728 1.00 0.34 C ATOM 2258 O ALA A 141 16.778 -5.110 5.644 1.00 0.36 O ATOM 2259 CB ALA A 141 19.522 -6.164 6.124 1.00 0.44 C ATOM 0 H ALA A 141 19.080 -5.467 3.743 1.00 0.34 H new ATOM 0 HA ALA A 141 18.486 -7.853 5.322 1.00 0.38 H new ATOM 0 HB1 ALA A 141 19.369 -6.469 7.159 1.00 0.44 H new ATOM 0 HB2 ALA A 141 20.496 -6.514 5.783 1.00 0.44 H new ATOM 0 HB3 ALA A 141 19.483 -5.077 6.056 1.00 0.44 H new ATOM 2265 N LYS A 142 16.275 -7.204 6.254 1.00 0.32 N ATOM 2266 CA LYS A 142 14.933 -6.869 6.714 1.00 0.30 C ATOM 2267 C LYS A 142 14.982 -5.833 7.830 1.00 0.26 C ATOM 2268 O LYS A 142 14.068 -5.027 7.986 1.00 0.24 O ATOM 2269 CB LYS A 142 14.204 -8.117 7.209 1.00 0.33 C ATOM 2270 CG LYS A 142 12.782 -7.827 7.644 1.00 0.32 C ATOM 2271 CD LYS A 142 12.084 -9.061 8.172 1.00 0.38 C ATOM 2272 CE LYS A 142 10.607 -8.783 8.350 1.00 0.49 C ATOM 2273 NZ LYS A 142 9.853 -9.971 8.832 1.00 1.11 N ATOM 0 H LYS A 142 16.529 -8.185 6.374 1.00 0.32 H new ATOM 0 HA LYS A 142 14.389 -6.450 5.867 1.00 0.30 H new ATOM 0 HB2 LYS A 142 14.192 -8.865 6.416 1.00 0.33 H new ATOM 0 HB3 LYS A 142 14.755 -8.548 8.045 1.00 0.33 H new ATOM 0 HG2 LYS A 142 12.790 -7.057 8.416 1.00 0.32 H new ATOM 0 HG3 LYS A 142 12.220 -7.427 6.800 1.00 0.32 H new ATOM 0 HD2 LYS A 142 12.225 -9.893 7.482 1.00 0.38 H new ATOM 0 HD3 LYS A 142 12.524 -9.359 9.124 1.00 0.38 H new ATOM 0 HE2 LYS A 142 10.478 -7.964 9.058 1.00 0.49 H new ATOM 0 HE3 LYS A 142 10.187 -8.452 7.400 1.00 0.49 H new ATOM 0 HZ1 LYS A 142 8.835 -9.821 8.681 1.00 1.11 H new ATOM 0 HZ2 LYS A 142 10.160 -10.814 8.306 1.00 1.11 H new ATOM 0 HZ3 LYS A 142 10.036 -10.110 9.846 1.00 1.11 H new ATOM 2287 N ASP A 143 16.070 -5.852 8.581 1.00 0.29 N ATOM 2288 CA ASP A 143 16.252 -4.940 9.698 1.00 0.31 C ATOM 2289 C ASP A 143 16.524 -3.541 9.179 1.00 0.28 C ATOM 2290 O ASP A 143 16.003 -2.549 9.694 1.00 0.29 O ATOM 2291 CB ASP A 143 17.419 -5.402 10.568 1.00 0.37 C ATOM 2292 CG ASP A 143 17.646 -4.485 11.753 1.00 0.49 C ATOM 2293 OD1 ASP A 143 16.898 -4.582 12.745 1.00 0.66 O ATOM 2294 OD2 ASP A 143 18.588 -3.669 11.704 1.00 0.52 O ATOM 0 H ASP A 143 16.848 -6.496 8.435 1.00 0.29 H new ATOM 0 HA ASP A 143 15.343 -4.932 10.299 1.00 0.31 H new ATOM 0 HB2 ASP A 143 17.226 -6.414 10.925 1.00 0.37 H new ATOM 0 HB3 ASP A 143 18.326 -5.445 9.964 1.00 0.37 H new ATOM 2299 N MET A 144 17.336 -3.485 8.139 1.00 0.29 N ATOM 2300 CA MET A 144 17.675 -2.234 7.489 1.00 0.30 C ATOM 2301 C MET A 144 16.524 -1.769 6.605 1.00 0.24 C ATOM 2302 O MET A 144 16.289 -0.578 6.465 1.00 0.25 O ATOM 2303 CB MET A 144 18.945 -2.415 6.659 1.00 0.35 C ATOM 2304 CG MET A 144 19.233 -1.257 5.714 1.00 0.36 C ATOM 2305 SD MET A 144 20.627 -1.575 4.614 1.00 0.48 S ATOM 2306 CE MET A 144 20.340 -0.340 3.344 1.00 0.43 C ATOM 0 H MET A 144 17.778 -4.304 7.722 1.00 0.29 H new ATOM 0 HA MET A 144 17.853 -1.473 8.249 1.00 0.30 H new ATOM 0 HB2 MET A 144 19.793 -2.541 7.332 1.00 0.35 H new ATOM 0 HB3 MET A 144 18.860 -3.333 6.078 1.00 0.35 H new ATOM 0 HG2 MET A 144 18.345 -1.054 5.116 1.00 0.36 H new ATOM 0 HG3 MET A 144 19.436 -0.360 6.299 1.00 0.36 H new ATOM 0 HE1 MET A 144 21.141 -0.385 2.606 1.00 0.43 H new ATOM 0 HE2 MET A 144 19.385 -0.535 2.856 1.00 0.43 H new ATOM 0 HE3 MET A 144 20.320 0.651 3.798 1.00 0.43 H new ATOM 2316 N PHE A 145 15.816 -2.727 6.025 1.00 0.21 N ATOM 2317 CA PHE A 145 14.711 -2.457 5.108 1.00 0.17 C ATOM 2318 C PHE A 145 13.696 -1.508 5.728 1.00 0.15 C ATOM 2319 O PHE A 145 13.381 -0.456 5.165 1.00 0.16 O ATOM 2320 CB PHE A 145 14.028 -3.772 4.741 1.00 0.19 C ATOM 2321 CG PHE A 145 13.040 -3.649 3.624 1.00 0.17 C ATOM 2322 CD1 PHE A 145 11.687 -3.654 3.883 1.00 0.24 C ATOM 2323 CD2 PHE A 145 13.469 -3.532 2.313 1.00 0.18 C ATOM 2324 CE1 PHE A 145 10.778 -3.545 2.856 1.00 0.30 C ATOM 2325 CE2 PHE A 145 12.562 -3.422 1.282 1.00 0.23 C ATOM 2326 CZ PHE A 145 11.214 -3.428 1.555 1.00 0.29 C ATOM 0 H PHE A 145 15.991 -3.720 6.176 1.00 0.21 H new ATOM 0 HA PHE A 145 15.114 -1.982 4.214 1.00 0.17 H new ATOM 0 HB2 PHE A 145 14.789 -4.500 4.461 1.00 0.19 H new ATOM 0 HB3 PHE A 145 13.520 -4.165 5.622 1.00 0.19 H new ATOM 0 HD1 PHE A 145 11.337 -3.744 4.901 1.00 0.24 H new ATOM 0 HD2 PHE A 145 14.527 -3.527 2.096 1.00 0.18 H new ATOM 0 HE1 PHE A 145 9.720 -3.551 3.071 1.00 0.30 H new ATOM 0 HE2 PHE A 145 12.908 -3.331 0.263 1.00 0.23 H new ATOM 0 HZ PHE A 145 10.499 -3.341 0.750 1.00 0.29 H new ATOM 2336 N VAL A 146 13.188 -1.887 6.889 1.00 0.15 N ATOM 2337 CA VAL A 146 12.231 -1.060 7.601 1.00 0.14 C ATOM 2338 C VAL A 146 12.871 0.251 8.066 1.00 0.15 C ATOM 2339 O VAL A 146 12.292 1.320 7.906 1.00 0.16 O ATOM 2340 CB VAL A 146 11.585 -1.814 8.793 1.00 0.16 C ATOM 2341 CG1 VAL A 146 12.576 -2.727 9.498 1.00 0.19 C ATOM 2342 CG2 VAL A 146 10.990 -0.828 9.782 1.00 0.17 C ATOM 0 H VAL A 146 13.423 -2.762 7.358 1.00 0.15 H new ATOM 0 HA VAL A 146 11.433 -0.819 6.899 1.00 0.14 H new ATOM 0 HB VAL A 146 10.792 -2.442 8.386 1.00 0.16 H new ATOM 0 HG11 VAL A 146 12.079 -3.234 10.325 1.00 0.19 H new ATOM 0 HG12 VAL A 146 12.954 -3.468 8.793 1.00 0.19 H new ATOM 0 HG13 VAL A 146 13.407 -2.135 9.882 1.00 0.19 H new ATOM 0 HG21 VAL A 146 10.541 -1.372 10.613 1.00 0.17 H new ATOM 0 HG22 VAL A 146 11.775 -0.173 10.160 1.00 0.17 H new ATOM 0 HG23 VAL A 146 10.227 -0.230 9.285 1.00 0.17 H new ATOM 2352 N SER A 147 14.080 0.174 8.596 1.00 0.18 N ATOM 2353 CA SER A 147 14.760 1.360 9.097 1.00 0.21 C ATOM 2354 C SER A 147 15.012 2.370 7.965 1.00 0.21 C ATOM 2355 O SER A 147 14.830 3.578 8.144 1.00 0.24 O ATOM 2356 CB SER A 147 16.067 0.950 9.777 1.00 0.25 C ATOM 2357 OG SER A 147 16.703 2.055 10.398 1.00 0.85 O ATOM 0 H SER A 147 14.610 -0.692 8.691 1.00 0.18 H new ATOM 0 HA SER A 147 14.123 1.852 9.832 1.00 0.21 H new ATOM 0 HB2 SER A 147 15.864 0.181 10.522 1.00 0.25 H new ATOM 0 HB3 SER A 147 16.739 0.510 9.040 1.00 0.25 H new ATOM 0 HG SER A 147 17.534 1.757 10.824 1.00 0.85 H new ATOM 2363 N ARG A 148 15.409 1.863 6.799 1.00 0.20 N ATOM 2364 CA ARG A 148 15.619 2.687 5.614 1.00 0.21 C ATOM 2365 C ARG A 148 14.306 3.263 5.103 1.00 0.19 C ATOM 2366 O ARG A 148 14.269 4.359 4.552 1.00 0.27 O ATOM 2367 CB ARG A 148 16.242 1.846 4.510 1.00 0.23 C ATOM 2368 CG ARG A 148 17.739 1.634 4.612 1.00 0.29 C ATOM 2369 CD ARG A 148 18.526 2.883 4.257 1.00 0.43 C ATOM 2370 NE ARG A 148 18.524 3.879 5.328 1.00 1.22 N ATOM 2371 CZ ARG A 148 19.057 5.097 5.215 1.00 1.53 C ATOM 2372 NH1 ARG A 148 19.639 5.469 4.079 1.00 1.19 N ATOM 2373 NH2 ARG A 148 19.021 5.935 6.245 1.00 2.48 N ATOM 0 H ARG A 148 15.593 0.871 6.651 1.00 0.20 H new ATOM 0 HA ARG A 148 16.281 3.507 5.890 1.00 0.21 H new ATOM 0 HB2 ARG A 148 15.755 0.871 4.502 1.00 0.23 H new ATOM 0 HB3 ARG A 148 16.025 2.318 3.552 1.00 0.23 H new ATOM 0 HG2 ARG A 148 17.991 1.325 5.626 1.00 0.29 H new ATOM 0 HG3 ARG A 148 18.034 0.821 3.949 1.00 0.29 H new ATOM 0 HD2 ARG A 148 19.555 2.605 4.027 1.00 0.43 H new ATOM 0 HD3 ARG A 148 18.106 3.327 3.354 1.00 0.43 H new ATOM 0 HE ARG A 148 18.089 3.627 6.215 1.00 1.22 H new ATOM 0 HH11 ARG A 148 19.679 4.823 3.291 1.00 1.19 H new ATOM 0 HH12 ARG A 148 20.046 6.401 3.996 1.00 1.19 H new ATOM 0 HH21 ARG A 148 18.586 5.647 7.122 1.00 2.48 H new ATOM 0 HH22 ARG A 148 19.428 6.866 6.159 1.00 2.48 H new ATOM 2387 N GLY A 149 13.237 2.508 5.262 1.00 0.14 N ATOM 2388 CA GLY A 149 11.950 2.956 4.797 1.00 0.13 C ATOM 2389 C GLY A 149 11.347 3.992 5.718 1.00 0.15 C ATOM 2390 O GLY A 149 10.874 5.031 5.265 1.00 0.17 O ATOM 0 H GLY A 149 13.238 1.590 5.706 1.00 0.14 H new ATOM 0 HA2 GLY A 149 12.052 3.375 3.796 1.00 0.13 H new ATOM 0 HA3 GLY A 149 11.275 2.103 4.719 1.00 0.13 H new ATOM 2394 N ASN A 150 11.381 3.716 7.017 1.00 0.17 N ATOM 2395 CA ASN A 150 10.803 4.612 8.011 1.00 0.22 C ATOM 2396 C ASN A 150 11.489 5.977 7.993 1.00 0.23 C ATOM 2397 O ASN A 150 10.858 6.998 8.260 1.00 0.26 O ATOM 2398 CB ASN A 150 10.905 4.007 9.415 1.00 0.32 C ATOM 2399 CG ASN A 150 10.051 4.748 10.431 1.00 0.46 C ATOM 2400 OD1 ASN A 150 8.875 4.432 10.612 1.00 1.42 O ATOM 2401 ND2 ASN A 150 10.633 5.722 11.112 1.00 0.93 N ATOM 0 H ASN A 150 11.805 2.874 7.407 1.00 0.17 H new ATOM 0 HA ASN A 150 9.752 4.746 7.754 1.00 0.22 H new ATOM 0 HB2 ASN A 150 10.598 2.962 9.380 1.00 0.32 H new ATOM 0 HB3 ASN A 150 11.946 4.023 9.739 1.00 0.32 H new ATOM 0 HD21 ASN A 150 10.105 6.239 11.815 1.00 0.93 H new ATOM 0 HD22 ASN A 150 11.610 5.955 10.934 1.00 0.93 H new ATOM 2408 N THR A 151 12.783 5.997 7.673 1.00 0.23 N ATOM 2409 CA THR A 151 13.523 7.253 7.602 1.00 0.27 C ATOM 2410 C THR A 151 13.112 8.043 6.359 1.00 0.27 C ATOM 2411 O THR A 151 13.247 9.266 6.316 1.00 0.33 O ATOM 2412 CB THR A 151 15.059 7.034 7.618 1.00 0.30 C ATOM 2413 OG1 THR A 151 15.745 8.289 7.710 1.00 0.40 O ATOM 2414 CG2 THR A 151 15.537 6.305 6.375 1.00 0.27 C ATOM 0 H THR A 151 13.334 5.166 7.461 1.00 0.23 H new ATOM 0 HA THR A 151 13.270 7.827 8.494 1.00 0.27 H new ATOM 0 HB THR A 151 15.283 6.421 8.491 1.00 0.30 H new ATOM 0 HG1 THR A 151 16.712 8.133 7.721 1.00 0.40 H new ATOM 0 HG21 THR A 151 16.618 6.171 6.425 1.00 0.27 H new ATOM 0 HG22 THR A 151 15.053 5.330 6.316 1.00 0.27 H new ATOM 0 HG23 THR A 151 15.284 6.890 5.490 1.00 0.27 H new ATOM 2422 N GLU A 152 12.598 7.339 5.354 1.00 0.25 N ATOM 2423 CA GLU A 152 12.040 7.984 4.176 1.00 0.30 C ATOM 2424 C GLU A 152 10.542 8.204 4.358 1.00 0.28 C ATOM 2425 O GLU A 152 9.864 8.765 3.496 1.00 0.30 O ATOM 2426 CB GLU A 152 12.325 7.160 2.936 1.00 0.34 C ATOM 2427 CG GLU A 152 13.800 7.134 2.586 1.00 0.52 C ATOM 2428 CD GLU A 152 14.350 8.516 2.295 1.00 0.63 C ATOM 2429 OE1 GLU A 152 15.263 8.965 3.023 1.00 1.31 O ATOM 2430 OE2 GLU A 152 13.869 9.167 1.345 1.00 0.98 O ATOM 0 H GLU A 152 12.558 6.320 5.335 1.00 0.25 H new ATOM 0 HA GLU A 152 12.514 8.957 4.047 1.00 0.30 H new ATOM 0 HB2 GLU A 152 11.973 6.140 3.092 1.00 0.34 H new ATOM 0 HB3 GLU A 152 11.762 7.566 2.096 1.00 0.34 H new ATOM 0 HG2 GLU A 152 14.358 6.690 3.410 1.00 0.52 H new ATOM 0 HG3 GLU A 152 13.953 6.495 1.717 1.00 0.52 H new ATOM 2437 N GLY A 153 10.050 7.756 5.502 1.00 0.25 N ATOM 2438 CA GLY A 153 8.703 8.058 5.927 1.00 0.25 C ATOM 2439 C GLY A 153 7.734 6.891 5.871 1.00 0.21 C ATOM 2440 O GLY A 153 6.654 6.979 6.452 1.00 0.24 O ATOM 0 H GLY A 153 10.575 7.175 6.156 1.00 0.25 H new ATOM 0 HA2 GLY A 153 8.737 8.434 6.950 1.00 0.25 H new ATOM 0 HA3 GLY A 153 8.314 8.864 5.304 1.00 0.25 H new ATOM 2444 N ALA A 154 8.075 5.793 5.205 1.00 0.17 N ATOM 2445 CA ALA A 154 7.198 4.627 5.257 1.00 0.16 C ATOM 2446 C ALA A 154 7.947 3.310 5.278 1.00 0.14 C ATOM 2447 O ALA A 154 8.746 3.017 4.387 1.00 0.15 O ATOM 2448 CB ALA A 154 6.218 4.632 4.109 1.00 0.19 C ATOM 0 H ALA A 154 8.919 5.684 4.643 1.00 0.17 H new ATOM 0 HA ALA A 154 6.660 4.708 6.201 1.00 0.16 H new ATOM 0 HB1 ALA A 154 5.578 3.752 4.173 1.00 0.19 H new ATOM 0 HB2 ALA A 154 5.604 5.532 4.158 1.00 0.19 H new ATOM 0 HB3 ALA A 154 6.763 4.616 3.165 1.00 0.19 H new ATOM 2454 N SER A 155 7.650 2.507 6.278 1.00 0.15 N ATOM 2455 CA SER A 155 8.059 1.122 6.296 1.00 0.16 C ATOM 2456 C SER A 155 7.023 0.273 7.012 1.00 0.15 C ATOM 2457 O SER A 155 6.161 0.793 7.725 1.00 0.19 O ATOM 2458 CB SER A 155 9.403 0.982 6.978 1.00 0.23 C ATOM 2459 OG SER A 155 9.407 1.659 8.223 1.00 1.42 O ATOM 0 H SER A 155 7.119 2.797 7.099 1.00 0.15 H new ATOM 0 HA SER A 155 8.147 0.774 5.267 1.00 0.16 H new ATOM 0 HB2 SER A 155 9.630 -0.073 7.132 1.00 0.23 H new ATOM 0 HB3 SER A 155 10.186 1.386 6.336 1.00 0.23 H new ATOM 0 HG SER A 155 8.726 1.269 8.810 1.00 1.42 H new ATOM 2465 N ILE A 156 7.093 -1.025 6.794 1.00 0.14 N ATOM 2466 CA ILE A 156 6.215 -1.960 7.457 1.00 0.15 C ATOM 2467 C ILE A 156 6.874 -3.340 7.502 1.00 0.15 C ATOM 2468 O ILE A 156 7.157 -3.944 6.470 1.00 0.17 O ATOM 2469 CB ILE A 156 4.833 -1.998 6.755 1.00 0.18 C ATOM 2470 CG1 ILE A 156 3.892 -2.984 7.430 1.00 0.21 C ATOM 2471 CG2 ILE A 156 4.966 -2.334 5.279 1.00 0.21 C ATOM 2472 CD1 ILE A 156 2.444 -2.693 7.118 1.00 0.28 C ATOM 0 H ILE A 156 7.759 -1.457 6.154 1.00 0.14 H new ATOM 0 HA ILE A 156 6.043 -1.636 8.483 1.00 0.15 H new ATOM 0 HB ILE A 156 4.407 -0.999 6.843 1.00 0.18 H new ATOM 0 HG12 ILE A 156 4.136 -3.996 7.107 1.00 0.21 H new ATOM 0 HG13 ILE A 156 4.044 -2.949 8.509 1.00 0.21 H new ATOM 0 HG21 ILE A 156 3.978 -2.352 4.819 1.00 0.21 H new ATOM 0 HG22 ILE A 156 5.581 -1.580 4.788 1.00 0.21 H new ATOM 0 HG23 ILE A 156 5.435 -3.312 5.169 1.00 0.21 H new ATOM 0 HD11 ILE A 156 1.810 -3.423 7.621 1.00 0.28 H new ATOM 0 HD12 ILE A 156 2.191 -1.691 7.465 1.00 0.28 H new ATOM 0 HD13 ILE A 156 2.284 -2.755 6.042 1.00 0.28 H new ATOM 2484 N SER A 157 7.131 -3.826 8.701 1.00 0.16 N ATOM 2485 CA SER A 157 7.852 -5.076 8.885 1.00 0.19 C ATOM 2486 C SER A 157 6.980 -6.065 9.640 1.00 0.20 C ATOM 2487 O SER A 157 6.466 -5.749 10.714 1.00 0.34 O ATOM 2488 CB SER A 157 9.165 -4.821 9.637 1.00 0.34 C ATOM 2489 OG SER A 157 8.924 -4.225 10.902 1.00 1.44 O ATOM 0 H SER A 157 6.850 -3.372 9.570 1.00 0.16 H new ATOM 0 HA SER A 157 8.094 -5.500 7.911 1.00 0.19 H new ATOM 0 HB2 SER A 157 9.699 -5.762 9.771 1.00 0.34 H new ATOM 0 HB3 SER A 157 9.808 -4.172 9.042 1.00 0.34 H new ATOM 0 HG SER A 157 8.056 -4.524 11.244 1.00 1.44 H new ATOM 2495 N PHE A 158 6.792 -7.245 9.075 1.00 0.20 N ATOM 2496 CA PHE A 158 5.863 -8.191 9.632 1.00 0.32 C ATOM 2497 C PHE A 158 6.451 -9.598 9.668 1.00 0.74 C ATOM 2498 O PHE A 158 7.134 -9.986 8.702 1.00 1.33 O ATOM 2499 CB PHE A 158 4.568 -8.083 8.827 1.00 0.97 C ATOM 2500 CG PHE A 158 4.191 -9.235 7.932 1.00 1.03 C ATOM 2501 CD1 PHE A 158 4.262 -9.081 6.562 1.00 0.97 C ATOM 2502 CD2 PHE A 158 3.708 -10.432 8.442 1.00 1.42 C ATOM 2503 CE1 PHE A 158 3.866 -10.088 5.709 1.00 1.38 C ATOM 2504 CE2 PHE A 158 3.320 -11.454 7.595 1.00 1.81 C ATOM 2505 CZ PHE A 158 3.398 -11.281 6.224 1.00 1.81 C ATOM 2506 OXT PHE A 158 6.243 -10.305 10.677 1.00 1.62 O ATOM 0 H PHE A 158 7.273 -7.563 8.233 1.00 0.20 H new ATOM 0 HA PHE A 158 5.647 -7.964 10.676 1.00 0.32 H new ATOM 0 HB2 PHE A 158 3.750 -7.926 9.530 1.00 0.97 H new ATOM 0 HB3 PHE A 158 4.633 -7.188 8.209 1.00 0.97 H new ATOM 0 HD1 PHE A 158 4.635 -8.154 6.151 1.00 0.97 H new ATOM 0 HD2 PHE A 158 3.634 -10.567 9.511 1.00 1.42 H new ATOM 0 HE1 PHE A 158 3.921 -9.945 4.640 1.00 1.38 H new ATOM 0 HE2 PHE A 158 2.957 -12.386 8.003 1.00 1.81 H new ATOM 0 HZ PHE A 158 3.094 -12.076 5.559 1.00 1.81 H new