USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 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 123 TYR OH : rot 40:sc= 0.0475 USER MOD Set 1.2: A 138 LYS NZ :NH3+ -111:sc= -0.0659 (180deg=-1.34!) USER MOD Set 2.1: A 79 LYS NZ :NH3+ -158:sc= -0.466! (180deg=-1.91!) USER MOD Set 2.2: A 105 SER OG : rot 94:sc= 1.17 USER MOD Set 3.1: A 64 THR OG1 : rot 180:sc= -0.0276 USER MOD Set 3.2: A 65 THR OG1 : rot 165:sc= 1.27 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -68:sc= 0.858 USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.18) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0479 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.33 K(o=-1.3,f=-12!) USER MOD Single : A 41 SER OG : rot 96:sc= 1.46 USER MOD Single : A 43 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= 0.00032 K(o=0.00032,f=-3.5!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.756 K(o=-0.76,f=-9.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.62 K(o=-1.6,f=-0.7) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0436 K(o=-0.044,f=-0.97) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= 1.16 (180deg=0.17!) USER MOD Single : A 99 TYR OH : rot 30:sc= 1.32 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -167:sc= 1.22 (180deg=0.642) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot -98:sc= -0.856! USER MOD Single : A 132 CYS SG : rot 150:sc= -5.67! USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 136 SER OG : rot 34:sc= 1.2 USER MOD Single : A 141 MET CE :methyl 144:sc= -0.181 (180deg=-1.75) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 168:sc= -0.0244 (180deg=-0.18) USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 18 -18.099 12.046 11.229 1.00 5.11 N ATOM 61 CA ASP A 18 -16.816 11.745 11.903 1.00 3.42 C ATOM 62 C ASP A 18 -16.923 10.420 12.630 1.00 31.42 C ATOM 63 O ASP A 18 -15.990 9.593 12.624 1.00 73.03 O ATOM 64 CB ASP A 18 -16.502 12.853 12.914 1.00 63.43 C ATOM 65 CG ASP A 18 -15.229 12.631 13.725 1.00 50.32 C ATOM 66 OD1 ASP A 18 -14.147 13.086 13.300 1.00 13.34 O ATOM 67 OD2 ASP A 18 -15.296 12.045 14.826 1.00 21.14 O ATOM 0 HA ASP A 18 -16.021 11.689 11.160 1.00 3.42 H new ATOM 0 HB2 ASP A 18 -16.417 13.800 12.381 1.00 63.43 H new ATOM 0 HB3 ASP A 18 -17.343 12.949 13.601 1.00 63.43 H new ATOM 72 N LEU A 19 -18.091 10.212 13.210 1.00 31.34 N ATOM 73 CA LEU A 19 -18.414 9.009 13.933 1.00 34.01 C ATOM 74 C LEU A 19 -18.450 7.851 12.939 1.00 71.21 C ATOM 75 O LEU A 19 -17.988 6.753 13.225 1.00 41.52 O ATOM 76 CB LEU A 19 -19.779 9.219 14.667 1.00 3.53 C ATOM 77 CG LEU A 19 -20.295 8.134 15.654 1.00 45.41 C ATOM 78 CD1 LEU A 19 -20.755 6.871 14.945 1.00 23.44 C ATOM 79 CD2 LEU A 19 -19.234 7.807 16.690 1.00 54.43 C ATOM 0 H LEU A 19 -18.852 10.891 13.188 1.00 31.34 H new ATOM 0 HA LEU A 19 -17.668 8.775 14.692 1.00 34.01 H new ATOM 0 HB2 LEU A 19 -19.712 10.156 15.219 1.00 3.53 H new ATOM 0 HB3 LEU A 19 -20.543 9.354 13.902 1.00 3.53 H new ATOM 0 HG LEU A 19 -21.167 8.552 16.156 1.00 45.41 H new ATOM 0 HD11 LEU A 19 -21.105 6.147 15.681 1.00 23.44 H new ATOM 0 HD12 LEU A 19 -21.567 7.114 14.260 1.00 23.44 H new ATOM 0 HD13 LEU A 19 -19.923 6.445 14.385 1.00 23.44 H new ATOM 0 HD21 LEU A 19 -19.614 7.046 17.372 1.00 54.43 H new ATOM 0 HD22 LEU A 19 -18.340 7.433 16.190 1.00 54.43 H new ATOM 0 HD23 LEU A 19 -18.985 8.707 17.253 1.00 54.43 H new ATOM 91 N ASP A 20 -18.941 8.133 11.761 1.00 73.21 N ATOM 92 CA ASP A 20 -19.038 7.132 10.710 1.00 23.03 C ATOM 93 C ASP A 20 -17.657 6.826 10.143 1.00 13.23 C ATOM 94 O ASP A 20 -17.381 5.711 9.737 1.00 31.04 O ATOM 95 CB ASP A 20 -20.008 7.577 9.609 1.00 71.40 C ATOM 96 CG ASP A 20 -20.239 6.513 8.562 1.00 33.14 C ATOM 97 OD1 ASP A 20 -20.854 5.470 8.879 1.00 12.24 O ATOM 98 OD2 ASP A 20 -19.861 6.715 7.387 1.00 53.51 O ATOM 0 H ASP A 20 -19.286 9.056 11.495 1.00 73.21 H new ATOM 0 HA ASP A 20 -19.439 6.216 11.143 1.00 23.03 H new ATOM 0 HB2 ASP A 20 -20.962 7.848 10.061 1.00 71.40 H new ATOM 0 HB3 ASP A 20 -19.617 8.474 9.128 1.00 71.40 H new ATOM 103 N VAL A 21 -16.785 7.827 10.147 1.00 34.32 N ATOM 104 CA VAL A 21 -15.390 7.655 9.725 1.00 61.35 C ATOM 105 C VAL A 21 -14.681 6.691 10.673 1.00 22.14 C ATOM 106 O VAL A 21 -14.056 5.714 10.239 1.00 21.31 O ATOM 107 CB VAL A 21 -14.597 9.008 9.698 1.00 54.14 C ATOM 108 CG1 VAL A 21 -13.139 8.789 9.305 1.00 41.44 C ATOM 109 CG2 VAL A 21 -15.238 10.005 8.754 1.00 71.20 C ATOM 0 H VAL A 21 -17.017 8.776 10.440 1.00 34.32 H new ATOM 0 HA VAL A 21 -15.412 7.258 8.710 1.00 61.35 H new ATOM 0 HB VAL A 21 -14.629 9.415 10.708 1.00 54.14 H new ATOM 0 HG11 VAL A 21 -12.617 9.746 9.296 1.00 41.44 H new ATOM 0 HG12 VAL A 21 -12.664 8.124 10.026 1.00 41.44 H new ATOM 0 HG13 VAL A 21 -13.093 8.341 8.312 1.00 41.44 H new ATOM 0 HG21 VAL A 21 -14.664 10.932 8.759 1.00 71.20 H new ATOM 0 HG22 VAL A 21 -15.253 9.593 7.745 1.00 71.20 H new ATOM 0 HG23 VAL A 21 -16.259 10.209 9.078 1.00 71.20 H new ATOM 119 N LYS A 22 -14.804 6.946 11.973 1.00 62.32 N ATOM 120 CA LYS A 22 -14.154 6.094 12.954 1.00 5.11 C ATOM 121 C LYS A 22 -14.841 4.730 13.015 1.00 64.24 C ATOM 122 O LYS A 22 -14.198 3.709 13.264 1.00 32.14 O ATOM 123 CB LYS A 22 -14.034 6.789 14.343 1.00 1.11 C ATOM 124 CG LYS A 22 -15.337 7.090 15.085 1.00 13.03 C ATOM 125 CD LYS A 22 -15.795 5.926 15.973 1.00 53.33 C ATOM 126 CE LYS A 22 -14.837 5.704 17.144 1.00 33.14 C ATOM 127 NZ LYS A 22 -15.239 4.565 17.994 1.00 45.00 N ATOM 0 H LYS A 22 -15.339 7.722 12.363 1.00 62.32 H new ATOM 0 HA LYS A 22 -13.127 5.918 12.633 1.00 5.11 H new ATOM 0 HB2 LYS A 22 -13.417 6.160 14.984 1.00 1.11 H new ATOM 0 HB3 LYS A 22 -13.498 7.728 14.206 1.00 1.11 H new ATOM 0 HG2 LYS A 22 -15.203 7.980 15.700 1.00 13.03 H new ATOM 0 HG3 LYS A 22 -16.119 7.318 14.360 1.00 13.03 H new ATOM 0 HD2 LYS A 22 -16.796 6.129 16.354 1.00 53.33 H new ATOM 0 HD3 LYS A 22 -15.860 5.016 15.377 1.00 53.33 H new ATOM 0 HE2 LYS A 22 -13.832 5.530 16.759 1.00 33.14 H new ATOM 0 HE3 LYS A 22 -14.794 6.609 17.751 1.00 33.14 H new ATOM 0 HZ1 LYS A 22 -14.559 4.456 18.773 1.00 45.00 H new ATOM 0 HZ2 LYS A 22 -16.187 4.741 18.384 1.00 45.00 H new ATOM 0 HZ3 LYS A 22 -15.255 3.695 17.424 1.00 45.00 H new ATOM 141 N GLY A 23 -16.139 4.726 12.734 1.00 72.22 N ATOM 142 CA GLY A 23 -16.903 3.506 12.692 1.00 62.44 C ATOM 143 C GLY A 23 -16.473 2.637 11.537 1.00 42.32 C ATOM 144 O GLY A 23 -16.336 1.420 11.688 1.00 24.52 O ATOM 0 H GLY A 23 -16.679 5.567 12.532 1.00 72.22 H new ATOM 0 HA2 GLY A 23 -16.777 2.962 13.628 1.00 62.44 H new ATOM 0 HA3 GLY A 23 -17.964 3.740 12.600 1.00 62.44 H new ATOM 148 N LEU A 24 -16.241 3.273 10.393 1.00 74.41 N ATOM 149 CA LEU A 24 -15.774 2.627 9.205 1.00 23.42 C ATOM 150 C LEU A 24 -14.398 2.041 9.465 1.00 42.13 C ATOM 151 O LEU A 24 -14.141 0.875 9.162 1.00 61.01 O ATOM 152 CB LEU A 24 -15.666 3.656 8.081 1.00 72.32 C ATOM 153 CG LEU A 24 -15.338 3.085 6.727 1.00 74.44 C ATOM 154 CD1 LEU A 24 -16.564 2.458 6.099 1.00 53.50 C ATOM 155 CD2 LEU A 24 -14.692 4.102 5.808 1.00 22.31 C ATOM 0 H LEU A 24 -16.381 4.277 10.280 1.00 74.41 H new ATOM 0 HA LEU A 24 -16.469 1.837 8.921 1.00 23.42 H new ATOM 0 HB2 LEU A 24 -16.610 4.197 8.012 1.00 72.32 H new ATOM 0 HB3 LEU A 24 -14.900 4.384 8.347 1.00 72.32 H new ATOM 0 HG LEU A 24 -14.596 2.301 6.878 1.00 74.44 H new ATOM 0 HD11 LEU A 24 -16.305 2.052 5.121 1.00 53.50 H new ATOM 0 HD12 LEU A 24 -16.931 1.656 6.739 1.00 53.50 H new ATOM 0 HD13 LEU A 24 -17.341 3.214 5.983 1.00 53.50 H new ATOM 0 HD21 LEU A 24 -14.476 3.638 4.846 1.00 22.31 H new ATOM 0 HD22 LEU A 24 -15.370 4.943 5.662 1.00 22.31 H new ATOM 0 HD23 LEU A 24 -13.764 4.458 6.255 1.00 22.31 H new ATOM 167 N GLY A 25 -13.525 2.864 10.048 1.00 31.33 N ATOM 168 CA GLY A 25 -12.178 2.444 10.377 1.00 72.41 C ATOM 169 C GLY A 25 -12.174 1.261 11.314 1.00 33.23 C ATOM 170 O GLY A 25 -11.404 0.312 11.132 1.00 23.20 O ATOM 0 H GLY A 25 -13.737 3.829 10.300 1.00 31.33 H new ATOM 0 HA2 GLY A 25 -11.644 2.185 9.463 1.00 72.41 H new ATOM 0 HA3 GLY A 25 -11.640 3.274 10.836 1.00 72.41 H new ATOM 174 N TYR A 26 -13.042 1.306 12.313 1.00 4.54 N ATOM 175 CA TYR A 26 -13.178 0.215 13.244 1.00 13.31 C ATOM 176 C TYR A 26 -13.694 -1.032 12.555 1.00 71.12 C ATOM 177 O TYR A 26 -13.174 -2.095 12.775 1.00 41.34 O ATOM 178 CB TYR A 26 -14.076 0.580 14.430 1.00 11.20 C ATOM 179 CG TYR A 26 -14.286 -0.578 15.382 1.00 52.33 C ATOM 180 CD1 TYR A 26 -15.491 -1.267 15.416 1.00 31.51 C ATOM 181 CD2 TYR A 26 -13.262 -1.002 16.221 1.00 23.13 C ATOM 182 CE1 TYR A 26 -15.672 -2.335 16.261 1.00 74.45 C ATOM 183 CE2 TYR A 26 -13.440 -2.071 17.068 1.00 60.03 C ATOM 184 CZ TYR A 26 -14.648 -2.732 17.085 1.00 52.30 C ATOM 185 OH TYR A 26 -14.833 -3.801 17.942 1.00 23.42 O ATOM 0 H TYR A 26 -13.663 2.095 12.494 1.00 4.54 H new ATOM 0 HA TYR A 26 -12.182 0.008 13.635 1.00 13.31 H new ATOM 0 HB2 TYR A 26 -13.633 1.415 14.972 1.00 11.20 H new ATOM 0 HB3 TYR A 26 -15.043 0.919 14.058 1.00 11.20 H new ATOM 0 HD1 TYR A 26 -16.298 -0.959 14.768 1.00 31.51 H new ATOM 0 HD2 TYR A 26 -12.314 -0.485 16.208 1.00 23.13 H new ATOM 0 HE1 TYR A 26 -16.616 -2.860 16.277 1.00 74.45 H new ATOM 0 HE2 TYR A 26 -12.637 -2.390 17.716 1.00 60.03 H new ATOM 0 HH TYR A 26 -14.013 -3.954 18.455 1.00 23.42 H new ATOM 195 N ASP A 27 -14.698 -0.881 11.708 1.00 1.20 N ATOM 196 CA ASP A 27 -15.301 -2.020 11.001 1.00 0.52 C ATOM 197 C ASP A 27 -14.265 -2.712 10.144 1.00 14.50 C ATOM 198 O ASP A 27 -14.141 -3.935 10.168 1.00 11.15 O ATOM 199 CB ASP A 27 -16.490 -1.556 10.151 1.00 61.12 C ATOM 200 CG ASP A 27 -17.175 -2.678 9.397 1.00 2.43 C ATOM 201 OD1 ASP A 27 -16.970 -2.819 8.187 1.00 12.52 O ATOM 202 OD2 ASP A 27 -17.973 -3.420 10.007 1.00 11.33 O ATOM 0 H ASP A 27 -15.121 0.020 11.486 1.00 1.20 H new ATOM 0 HA ASP A 27 -15.669 -2.734 11.738 1.00 0.52 H new ATOM 0 HB2 ASP A 27 -17.219 -1.067 10.798 1.00 61.12 H new ATOM 0 HB3 ASP A 27 -16.145 -0.808 9.437 1.00 61.12 H new ATOM 207 N PHE A 28 -13.487 -1.902 9.462 1.00 73.44 N ATOM 208 CA PHE A 28 -12.411 -2.323 8.594 1.00 60.31 C ATOM 209 C PHE A 28 -11.345 -3.064 9.400 1.00 13.22 C ATOM 210 O PHE A 28 -11.019 -4.214 9.115 1.00 12.14 O ATOM 211 CB PHE A 28 -11.853 -1.046 7.941 1.00 4.32 C ATOM 212 CG PHE A 28 -10.605 -1.145 7.107 1.00 53.43 C ATOM 213 CD1 PHE A 28 -10.671 -1.252 5.730 1.00 53.35 C ATOM 214 CD2 PHE A 28 -9.369 -1.050 7.703 1.00 11.15 C ATOM 215 CE1 PHE A 28 -9.525 -1.263 4.967 1.00 51.44 C ATOM 216 CE2 PHE A 28 -8.223 -1.075 6.951 1.00 41.14 C ATOM 217 CZ PHE A 28 -8.302 -1.178 5.577 1.00 1.04 C ATOM 0 H PHE A 28 -13.592 -0.888 9.499 1.00 73.44 H new ATOM 0 HA PHE A 28 -12.755 -3.017 7.827 1.00 60.31 H new ATOM 0 HB2 PHE A 28 -12.638 -0.627 7.312 1.00 4.32 H new ATOM 0 HB3 PHE A 28 -11.663 -0.325 8.736 1.00 4.32 H new ATOM 0 HD1 PHE A 28 -11.634 -1.328 5.247 1.00 53.35 H new ATOM 0 HD2 PHE A 28 -9.300 -0.955 8.777 1.00 11.15 H new ATOM 0 HE1 PHE A 28 -9.590 -1.338 3.892 1.00 51.44 H new ATOM 0 HE2 PHE A 28 -7.259 -1.014 7.434 1.00 41.14 H new ATOM 0 HZ PHE A 28 -7.400 -1.192 4.983 1.00 1.04 H new ATOM 227 N ILE A 29 -10.848 -2.426 10.431 1.00 53.21 N ATOM 228 CA ILE A 29 -9.822 -3.019 11.258 1.00 43.23 C ATOM 229 C ILE A 29 -10.325 -4.234 12.014 1.00 65.12 C ATOM 230 O ILE A 29 -9.590 -5.207 12.180 1.00 0.23 O ATOM 231 CB ILE A 29 -9.123 -1.965 12.177 1.00 14.53 C ATOM 232 CG1 ILE A 29 -8.113 -1.126 11.368 1.00 12.11 C ATOM 233 CG2 ILE A 29 -8.463 -2.576 13.421 1.00 41.34 C ATOM 234 CD1 ILE A 29 -7.023 -1.946 10.681 1.00 12.45 C ATOM 0 H ILE A 29 -11.138 -1.492 10.720 1.00 53.21 H new ATOM 0 HA ILE A 29 -9.046 -3.389 10.587 1.00 43.23 H new ATOM 0 HB ILE A 29 -9.912 -1.312 12.550 1.00 14.53 H new ATOM 0 HG12 ILE A 29 -8.654 -0.557 10.612 1.00 12.11 H new ATOM 0 HG13 ILE A 29 -7.642 -0.403 12.035 1.00 12.11 H new ATOM 0 HG21 ILE A 29 -7.998 -1.786 14.011 1.00 41.34 H new ATOM 0 HG22 ILE A 29 -9.218 -3.082 14.022 1.00 41.34 H new ATOM 0 HG23 ILE A 29 -7.703 -3.295 13.114 1.00 41.34 H new ATOM 0 HD11 ILE A 29 -6.356 -1.279 10.135 1.00 12.45 H new ATOM 0 HD12 ILE A 29 -6.453 -2.495 11.431 1.00 12.45 H new ATOM 0 HD13 ILE A 29 -7.481 -2.650 9.986 1.00 12.45 H new ATOM 246 N ASP A 30 -11.576 -4.221 12.411 1.00 21.22 N ATOM 247 CA ASP A 30 -12.135 -5.351 13.113 1.00 30.13 C ATOM 248 C ASP A 30 -12.302 -6.512 12.171 1.00 54.42 C ATOM 249 O ASP A 30 -11.966 -7.632 12.521 1.00 71.45 O ATOM 250 CB ASP A 30 -13.452 -5.016 13.826 1.00 52.13 C ATOM 251 CG ASP A 30 -13.948 -6.150 14.700 1.00 62.42 C ATOM 252 OD1 ASP A 30 -14.940 -6.817 14.339 1.00 24.33 O ATOM 253 OD2 ASP A 30 -13.345 -6.394 15.778 1.00 53.31 O ATOM 0 H ASP A 30 -12.222 -3.446 12.261 1.00 21.22 H new ATOM 0 HA ASP A 30 -11.431 -5.629 13.897 1.00 30.13 H new ATOM 0 HB2 ASP A 30 -13.313 -4.125 14.438 1.00 52.13 H new ATOM 0 HB3 ASP A 30 -14.212 -4.776 13.083 1.00 52.13 H new ATOM 258 N LEU A 31 -12.719 -6.247 10.927 1.00 41.35 N ATOM 259 CA LEU A 31 -12.886 -7.323 9.992 1.00 65.14 C ATOM 260 C LEU A 31 -11.531 -7.916 9.596 1.00 2.35 C ATOM 261 O LEU A 31 -11.416 -9.102 9.311 1.00 52.53 O ATOM 262 CB LEU A 31 -13.774 -6.938 8.787 1.00 34.41 C ATOM 263 CG LEU A 31 -13.269 -5.872 7.824 1.00 22.24 C ATOM 264 CD1 LEU A 31 -12.217 -6.425 6.886 1.00 62.13 C ATOM 265 CD2 LEU A 31 -14.415 -5.281 7.054 1.00 42.32 C ATOM 0 H LEU A 31 -12.937 -5.317 10.568 1.00 41.35 H new ATOM 0 HA LEU A 31 -13.440 -8.116 10.494 1.00 65.14 H new ATOM 0 HB2 LEU A 31 -13.961 -7.844 8.210 1.00 34.41 H new ATOM 0 HB3 LEU A 31 -14.735 -6.604 9.177 1.00 34.41 H new ATOM 0 HG LEU A 31 -12.799 -5.083 8.411 1.00 22.24 H new ATOM 0 HD11 LEU A 31 -11.879 -5.637 6.213 1.00 62.13 H new ATOM 0 HD12 LEU A 31 -11.371 -6.795 7.465 1.00 62.13 H new ATOM 0 HD13 LEU A 31 -12.642 -7.242 6.303 1.00 62.13 H new ATOM 0 HD21 LEU A 31 -14.040 -4.520 6.369 1.00 42.32 H new ATOM 0 HD22 LEU A 31 -14.915 -6.066 6.486 1.00 42.32 H new ATOM 0 HD23 LEU A 31 -15.124 -4.827 7.747 1.00 42.32 H new ATOM 277 N VAL A 32 -10.505 -7.073 9.608 1.00 64.31 N ATOM 278 CA VAL A 32 -9.152 -7.511 9.351 1.00 4.35 C ATOM 279 C VAL A 32 -8.617 -8.331 10.553 1.00 73.54 C ATOM 280 O VAL A 32 -7.738 -9.179 10.409 1.00 43.14 O ATOM 281 CB VAL A 32 -8.216 -6.288 9.022 1.00 2.11 C ATOM 282 CG1 VAL A 32 -6.756 -6.696 8.939 1.00 43.44 C ATOM 283 CG2 VAL A 32 -8.623 -5.659 7.696 1.00 51.10 C ATOM 0 H VAL A 32 -10.594 -6.074 9.796 1.00 64.31 H new ATOM 0 HA VAL A 32 -9.156 -8.159 8.475 1.00 4.35 H new ATOM 0 HB VAL A 32 -8.330 -5.571 9.835 1.00 2.11 H new ATOM 0 HG11 VAL A 32 -6.146 -5.822 8.710 1.00 43.44 H new ATOM 0 HG12 VAL A 32 -6.441 -7.118 9.893 1.00 43.44 H new ATOM 0 HG13 VAL A 32 -6.631 -7.441 8.154 1.00 43.44 H new ATOM 0 HG21 VAL A 32 -7.969 -4.814 7.478 1.00 51.10 H new ATOM 0 HG22 VAL A 32 -8.537 -6.399 6.901 1.00 51.10 H new ATOM 0 HG23 VAL A 32 -9.655 -5.313 7.759 1.00 51.10 H new ATOM 293 N THR A 33 -9.206 -8.141 11.718 1.00 21.24 N ATOM 294 CA THR A 33 -8.726 -8.819 12.894 1.00 15.42 C ATOM 295 C THR A 33 -9.709 -9.883 13.379 1.00 45.25 C ATOM 296 O THR A 33 -9.646 -10.336 14.540 1.00 74.21 O ATOM 297 CB THR A 33 -8.373 -7.816 14.011 1.00 73.14 C ATOM 298 OG1 THR A 33 -9.458 -6.906 14.218 1.00 74.30 O ATOM 299 CG2 THR A 33 -7.125 -7.035 13.643 1.00 14.23 C ATOM 0 H THR A 33 -10.008 -7.529 11.869 1.00 21.24 H new ATOM 0 HA THR A 33 -7.809 -9.340 12.618 1.00 15.42 H new ATOM 0 HB THR A 33 -8.189 -8.374 14.929 1.00 73.14 H new ATOM 0 HG1 THR A 33 -9.557 -6.330 13.431 1.00 74.30 H new ATOM 0 HG21 THR A 33 -6.888 -6.331 14.441 1.00 14.23 H new ATOM 0 HG22 THR A 33 -6.291 -7.724 13.508 1.00 14.23 H new ATOM 0 HG23 THR A 33 -7.298 -6.488 12.716 1.00 14.23 H new ATOM 307 N LYS A 34 -10.605 -10.304 12.478 1.00 51.41 N ATOM 308 CA LYS A 34 -11.551 -11.364 12.755 1.00 11.11 C ATOM 309 C LYS A 34 -10.846 -12.646 13.140 1.00 43.22 C ATOM 310 O LYS A 34 -9.664 -12.858 12.812 1.00 43.23 O ATOM 311 CB LYS A 34 -12.451 -11.649 11.553 1.00 14.43 C ATOM 312 CG LYS A 34 -13.464 -10.587 11.219 1.00 33.43 C ATOM 313 CD LYS A 34 -14.362 -10.224 12.402 1.00 51.31 C ATOM 314 CE LYS A 34 -15.472 -9.279 11.965 1.00 61.32 C ATOM 315 NZ LYS A 34 -16.265 -8.770 13.090 1.00 25.04 N ATOM 0 H LYS A 34 -10.685 -9.912 11.540 1.00 51.41 H new ATOM 0 HA LYS A 34 -12.162 -11.017 13.588 1.00 11.11 H new ATOM 0 HB2 LYS A 34 -11.818 -11.806 10.680 1.00 14.43 H new ATOM 0 HB3 LYS A 34 -12.981 -12.584 11.735 1.00 14.43 H new ATOM 0 HG2 LYS A 34 -12.944 -9.692 10.877 1.00 33.43 H new ATOM 0 HG3 LYS A 34 -14.084 -10.932 10.392 1.00 33.43 H new ATOM 0 HD2 LYS A 34 -14.795 -11.129 12.827 1.00 51.31 H new ATOM 0 HD3 LYS A 34 -13.767 -9.756 13.186 1.00 51.31 H new ATOM 0 HE2 LYS A 34 -15.035 -8.439 11.425 1.00 61.32 H new ATOM 0 HE3 LYS A 34 -16.130 -9.798 11.268 1.00 61.32 H new ATOM 0 HZ1 LYS A 34 -17.120 -8.302 12.728 1.00 25.04 H new ATOM 0 HZ2 LYS A 34 -16.538 -9.561 13.708 1.00 25.04 H new ATOM 0 HZ3 LYS A 34 -15.699 -8.086 13.632 1.00 25.04 H new ATOM 329 N SER A 35 -11.556 -13.483 13.813 1.00 12.12 N ATOM 330 CA SER A 35 -11.049 -14.732 14.251 1.00 44.30 C ATOM 331 C SER A 35 -10.969 -15.673 13.041 1.00 20.41 C ATOM 332 O SER A 35 -11.785 -15.560 12.115 1.00 51.00 O ATOM 333 CB SER A 35 -12.003 -15.292 15.329 1.00 41.25 C ATOM 334 OG SER A 35 -11.567 -16.533 15.867 1.00 13.11 O ATOM 0 H SER A 35 -12.526 -13.313 14.079 1.00 12.12 H new ATOM 0 HA SER A 35 -10.053 -14.630 14.682 1.00 44.30 H new ATOM 0 HB2 SER A 35 -12.097 -14.565 16.136 1.00 41.25 H new ATOM 0 HB3 SER A 35 -12.996 -15.418 14.897 1.00 41.25 H new ATOM 0 HG SER A 35 -12.206 -16.839 16.544 1.00 13.11 H new ATOM 340 N PRO A 36 -9.979 -16.607 13.019 1.00 65.42 N ATOM 341 CA PRO A 36 -9.845 -17.644 11.968 1.00 65.10 C ATOM 342 C PRO A 36 -11.082 -18.549 11.902 1.00 71.11 C ATOM 343 O PRO A 36 -11.168 -19.453 11.076 1.00 22.42 O ATOM 344 CB PRO A 36 -8.604 -18.445 12.376 1.00 21.24 C ATOM 345 CG PRO A 36 -8.347 -18.083 13.790 1.00 30.23 C ATOM 346 CD PRO A 36 -8.877 -16.692 13.983 1.00 35.21 C ATOM 0 HA PRO A 36 -9.752 -17.204 10.975 1.00 65.10 H new ATOM 0 HB2 PRO A 36 -8.776 -19.516 12.270 1.00 21.24 H new ATOM 0 HB3 PRO A 36 -7.751 -18.195 11.745 1.00 21.24 H new ATOM 0 HG2 PRO A 36 -8.841 -18.782 14.464 1.00 30.23 H new ATOM 0 HG3 PRO A 36 -7.281 -18.125 14.013 1.00 30.23 H new ATOM 0 HD2 PRO A 36 -9.224 -16.533 15.004 1.00 35.21 H new ATOM 0 HD3 PRO A 36 -8.113 -15.941 13.786 1.00 35.21 H new ATOM 354 N ASP A 37 -11.988 -18.341 12.856 1.00 41.01 N ATOM 355 CA ASP A 37 -13.311 -18.972 12.882 1.00 30.45 C ATOM 356 C ASP A 37 -14.081 -18.557 11.609 1.00 12.23 C ATOM 357 O ASP A 37 -14.929 -19.299 11.099 1.00 60.10 O ATOM 358 CB ASP A 37 -14.065 -18.485 14.124 1.00 42.24 C ATOM 359 CG ASP A 37 -15.395 -19.171 14.336 1.00 21.43 C ATOM 360 OD1 ASP A 37 -16.419 -18.713 13.798 1.00 54.53 O ATOM 361 OD2 ASP A 37 -15.441 -20.161 15.086 1.00 64.31 O ATOM 0 H ASP A 37 -11.823 -17.719 13.647 1.00 41.01 H new ATOM 0 HA ASP A 37 -13.217 -20.057 12.916 1.00 30.45 H new ATOM 0 HB2 ASP A 37 -13.440 -18.644 15.003 1.00 42.24 H new ATOM 0 HB3 ASP A 37 -14.230 -17.411 14.040 1.00 42.24 H new ATOM 366 N SER A 38 -13.735 -17.385 11.091 1.00 2.50 N ATOM 367 CA SER A 38 -14.222 -16.905 9.823 1.00 20.20 C ATOM 368 C SER A 38 -13.196 -17.349 8.784 1.00 24.11 C ATOM 369 O SER A 38 -12.034 -17.516 9.131 1.00 54.13 O ATOM 370 CB SER A 38 -14.316 -15.379 9.863 1.00 42.24 C ATOM 371 OG SER A 38 -15.139 -14.960 10.952 1.00 54.52 O ATOM 0 H SER A 38 -13.097 -16.738 11.555 1.00 2.50 H new ATOM 0 HA SER A 38 -15.212 -17.295 9.588 1.00 20.20 H new ATOM 0 HB2 SER A 38 -13.320 -14.949 9.966 1.00 42.24 H new ATOM 0 HB3 SER A 38 -14.728 -15.009 8.924 1.00 42.24 H new ATOM 0 HG SER A 38 -15.189 -13.981 10.967 1.00 54.52 H new ATOM 377 N VAL A 39 -13.602 -17.544 7.540 1.00 23.02 N ATOM 378 CA VAL A 39 -12.678 -18.081 6.539 1.00 55.43 C ATOM 379 C VAL A 39 -11.482 -17.181 6.285 1.00 22.03 C ATOM 380 O VAL A 39 -10.331 -17.624 6.403 1.00 41.22 O ATOM 381 CB VAL A 39 -13.357 -18.385 5.187 1.00 54.43 C ATOM 382 CG1 VAL A 39 -12.322 -18.869 4.157 1.00 11.11 C ATOM 383 CG2 VAL A 39 -14.461 -19.418 5.360 1.00 53.03 C ATOM 0 H VAL A 39 -14.542 -17.346 7.198 1.00 23.02 H new ATOM 0 HA VAL A 39 -12.331 -19.015 6.980 1.00 55.43 H new ATOM 0 HB VAL A 39 -13.805 -17.463 4.816 1.00 54.43 H new ATOM 0 HG11 VAL A 39 -12.821 -19.078 3.211 1.00 11.11 H new ATOM 0 HG12 VAL A 39 -11.569 -18.096 4.007 1.00 11.11 H new ATOM 0 HG13 VAL A 39 -11.842 -19.777 4.522 1.00 11.11 H new ATOM 0 HG21 VAL A 39 -14.927 -19.618 4.395 1.00 53.03 H new ATOM 0 HG22 VAL A 39 -14.037 -20.341 5.756 1.00 53.03 H new ATOM 0 HG23 VAL A 39 -15.211 -19.036 6.053 1.00 53.03 H new ATOM 393 N ASN A 40 -11.726 -15.928 5.980 1.00 72.23 N ATOM 394 CA ASN A 40 -10.647 -15.074 5.574 1.00 72.33 C ATOM 395 C ASN A 40 -10.974 -13.597 5.774 1.00 61.24 C ATOM 396 O ASN A 40 -11.960 -13.082 5.244 1.00 3.34 O ATOM 397 CB ASN A 40 -10.302 -15.365 4.109 1.00 62.53 C ATOM 398 CG ASN A 40 -9.153 -14.551 3.634 1.00 20.21 C ATOM 399 OD1 ASN A 40 -9.334 -13.488 3.107 1.00 70.12 O ATOM 400 ND2 ASN A 40 -7.980 -15.050 3.818 1.00 4.15 N ATOM 0 H ASN A 40 -12.646 -15.488 6.006 1.00 72.23 H new ATOM 0 HA ASN A 40 -9.784 -15.287 6.205 1.00 72.33 H new ATOM 0 HB2 ASN A 40 -10.068 -16.423 3.995 1.00 62.53 H new ATOM 0 HB3 ASN A 40 -11.172 -15.162 3.485 1.00 62.53 H new ATOM 0 HD21 ASN A 40 -7.154 -14.537 3.511 1.00 4.15 H new ATOM 0 HD22 ASN A 40 -7.877 -15.958 4.271 1.00 4.15 H new ATOM 407 N SER A 41 -10.116 -12.918 6.491 1.00 54.24 N ATOM 408 CA SER A 41 -10.280 -11.523 6.824 1.00 55.24 C ATOM 409 C SER A 41 -10.254 -10.623 5.578 1.00 32.30 C ATOM 410 O SER A 41 -10.976 -9.614 5.495 1.00 54.32 O ATOM 411 CB SER A 41 -9.192 -11.176 7.818 1.00 75.32 C ATOM 412 OG SER A 41 -8.076 -12.067 7.639 1.00 22.41 O ATOM 0 H SER A 41 -9.262 -13.328 6.870 1.00 54.24 H new ATOM 0 HA SER A 41 -11.260 -11.348 7.268 1.00 55.24 H new ATOM 0 HB2 SER A 41 -8.873 -10.143 7.678 1.00 75.32 H new ATOM 0 HB3 SER A 41 -9.575 -11.256 8.835 1.00 75.32 H new ATOM 0 HG SER A 41 -7.410 -11.644 7.058 1.00 22.41 H new ATOM 418 N GLU A 42 -9.488 -11.027 4.593 1.00 75.11 N ATOM 419 CA GLU A 42 -9.390 -10.307 3.351 1.00 33.11 C ATOM 420 C GLU A 42 -10.689 -10.484 2.551 1.00 41.24 C ATOM 421 O GLU A 42 -11.022 -9.655 1.708 1.00 72.15 O ATOM 422 CB GLU A 42 -8.172 -10.755 2.503 1.00 21.44 C ATOM 423 CG GLU A 42 -6.800 -10.666 3.184 1.00 24.42 C ATOM 424 CD GLU A 42 -6.572 -11.746 4.228 1.00 34.04 C ATOM 425 OE1 GLU A 42 -6.836 -11.494 5.428 1.00 0.22 O ATOM 426 OE2 GLU A 42 -6.152 -12.858 3.862 1.00 34.21 O ATOM 0 H GLU A 42 -8.913 -11.869 4.633 1.00 75.11 H new ATOM 0 HA GLU A 42 -9.241 -9.254 3.589 1.00 33.11 H new ATOM 0 HB2 GLU A 42 -8.333 -11.787 2.191 1.00 21.44 H new ATOM 0 HB3 GLU A 42 -8.144 -10.149 1.597 1.00 21.44 H new ATOM 0 HG2 GLU A 42 -6.021 -10.735 2.425 1.00 24.42 H new ATOM 0 HG3 GLU A 42 -6.700 -9.688 3.656 1.00 24.42 H new ATOM 433 N HIS A 43 -11.445 -11.551 2.855 1.00 55.34 N ATOM 434 CA HIS A 43 -12.724 -11.796 2.196 1.00 42.14 C ATOM 435 C HIS A 43 -13.703 -10.772 2.715 1.00 71.51 C ATOM 436 O HIS A 43 -14.453 -10.157 1.952 1.00 63.11 O ATOM 437 CB HIS A 43 -13.233 -13.234 2.479 1.00 33.33 C ATOM 438 CG HIS A 43 -14.467 -13.645 1.704 1.00 30.14 C ATOM 439 ND1 HIS A 43 -14.465 -14.587 0.692 1.00 24.13 N ATOM 440 CD2 HIS A 43 -15.756 -13.248 1.836 1.00 61.24 C ATOM 441 CE1 HIS A 43 -15.717 -14.727 0.252 1.00 51.11 C ATOM 442 NE2 HIS A 43 -16.548 -13.933 0.915 1.00 22.40 N ATOM 0 H HIS A 43 -11.188 -12.251 3.551 1.00 55.34 H new ATOM 0 HA HIS A 43 -12.613 -11.707 1.115 1.00 42.14 H new ATOM 0 HB2 HIS A 43 -12.431 -13.937 2.254 1.00 33.33 H new ATOM 0 HB3 HIS A 43 -13.446 -13.324 3.544 1.00 33.33 H new ATOM 0 HD2 HIS A 43 -16.114 -12.515 2.544 1.00 61.24 H new ATOM 0 HE1 HIS A 43 -16.015 -15.398 -0.540 1.00 51.11 H new ATOM 0 HE2 HIS A 43 -17.555 -13.843 0.779 1.00 22.40 H new ATOM 450 N GLU A 44 -13.644 -10.551 4.014 1.00 22.04 N ATOM 451 CA GLU A 44 -14.468 -9.579 4.667 1.00 4.25 C ATOM 452 C GLU A 44 -14.077 -8.195 4.189 1.00 73.11 C ATOM 453 O GLU A 44 -14.921 -7.311 4.050 1.00 63.44 O ATOM 454 CB GLU A 44 -14.260 -9.687 6.163 1.00 13.33 C ATOM 455 CG GLU A 44 -14.424 -11.095 6.694 1.00 21.10 C ATOM 456 CD GLU A 44 -15.813 -11.628 6.507 1.00 61.50 C ATOM 457 OE1 GLU A 44 -16.010 -12.537 5.672 1.00 63.51 O ATOM 458 OE2 GLU A 44 -16.737 -11.144 7.167 1.00 52.33 O ATOM 0 H GLU A 44 -13.014 -11.050 4.642 1.00 22.04 H new ATOM 0 HA GLU A 44 -15.518 -9.755 4.433 1.00 4.25 H new ATOM 0 HB2 GLU A 44 -13.261 -9.328 6.410 1.00 13.33 H new ATOM 0 HB3 GLU A 44 -14.969 -9.031 6.669 1.00 13.33 H new ATOM 0 HG2 GLU A 44 -13.716 -11.753 6.190 1.00 21.10 H new ATOM 0 HG3 GLU A 44 -14.174 -11.110 7.755 1.00 21.10 H new ATOM 465 N LEU A 45 -12.794 -8.018 3.914 1.00 20.33 N ATOM 466 CA LEU A 45 -12.301 -6.774 3.422 1.00 32.22 C ATOM 467 C LEU A 45 -12.782 -6.537 1.999 1.00 53.32 C ATOM 468 O LEU A 45 -13.180 -5.434 1.655 1.00 32.11 O ATOM 469 CB LEU A 45 -10.783 -6.721 3.494 1.00 10.33 C ATOM 470 CG LEU A 45 -10.179 -5.378 3.143 1.00 61.22 C ATOM 471 CD1 LEU A 45 -10.659 -4.325 4.111 1.00 11.15 C ATOM 472 CD2 LEU A 45 -8.663 -5.448 3.100 1.00 15.24 C ATOM 0 H LEU A 45 -12.081 -8.738 4.030 1.00 20.33 H new ATOM 0 HA LEU A 45 -12.693 -5.979 4.056 1.00 32.22 H new ATOM 0 HB2 LEU A 45 -10.471 -6.992 4.503 1.00 10.33 H new ATOM 0 HB3 LEU A 45 -10.374 -7.475 2.821 1.00 10.33 H new ATOM 0 HG LEU A 45 -10.512 -5.100 2.143 1.00 61.22 H new ATOM 0 HD11 LEU A 45 -10.219 -3.363 3.850 1.00 11.15 H new ATOM 0 HD12 LEU A 45 -11.745 -4.253 4.061 1.00 11.15 H new ATOM 0 HD13 LEU A 45 -10.360 -4.598 5.123 1.00 11.15 H new ATOM 0 HD21 LEU A 45 -8.261 -4.468 2.845 1.00 15.24 H new ATOM 0 HD22 LEU A 45 -8.285 -5.753 4.076 1.00 15.24 H new ATOM 0 HD23 LEU A 45 -8.353 -6.174 2.348 1.00 15.24 H new ATOM 484 N ALA A 46 -12.775 -7.587 1.189 1.00 44.34 N ATOM 485 CA ALA A 46 -13.259 -7.518 -0.183 1.00 42.25 C ATOM 486 C ALA A 46 -14.738 -7.176 -0.193 1.00 73.21 C ATOM 487 O ALA A 46 -15.222 -6.425 -1.053 1.00 0.15 O ATOM 488 CB ALA A 46 -13.007 -8.834 -0.906 1.00 30.30 C ATOM 0 H ALA A 46 -12.435 -8.508 1.464 1.00 44.34 H new ATOM 0 HA ALA A 46 -12.715 -6.734 -0.709 1.00 42.25 H new ATOM 0 HB1 ALA A 46 -13.375 -8.763 -1.929 1.00 30.30 H new ATOM 0 HB2 ALA A 46 -11.937 -9.043 -0.919 1.00 30.30 H new ATOM 0 HB3 ALA A 46 -13.528 -9.639 -0.388 1.00 30.30 H new ATOM 494 N HIS A 47 -15.429 -7.696 0.800 1.00 44.21 N ATOM 495 CA HIS A 47 -16.844 -7.450 0.994 1.00 34.31 C ATOM 496 C HIS A 47 -17.050 -5.992 1.420 1.00 64.44 C ATOM 497 O HIS A 47 -17.985 -5.322 0.964 1.00 34.53 O ATOM 498 CB HIS A 47 -17.396 -8.440 2.049 1.00 62.33 C ATOM 499 CG HIS A 47 -18.877 -8.372 2.309 1.00 34.44 C ATOM 500 ND1 HIS A 47 -19.789 -9.256 1.781 1.00 2.04 N ATOM 501 CD2 HIS A 47 -19.591 -7.528 3.094 1.00 11.23 C ATOM 502 CE1 HIS A 47 -20.991 -8.931 2.243 1.00 1.41 C ATOM 503 NE2 HIS A 47 -20.930 -7.889 3.049 1.00 31.33 N ATOM 0 H HIS A 47 -15.019 -8.309 1.504 1.00 44.21 H new ATOM 0 HA HIS A 47 -17.391 -7.610 0.065 1.00 34.31 H new ATOM 0 HB2 HIS A 47 -17.150 -9.453 1.731 1.00 62.33 H new ATOM 0 HB3 HIS A 47 -16.874 -8.265 2.990 1.00 62.33 H new ATOM 0 HD2 HIS A 47 -19.183 -6.706 3.663 1.00 11.23 H new ATOM 0 HE1 HIS A 47 -21.902 -9.453 1.991 1.00 1.41 H new ATOM 0 HE2 HIS A 47 -21.706 -7.442 3.538 1.00 31.33 H new ATOM 511 N PHE A 48 -16.139 -5.510 2.243 1.00 23.25 N ATOM 512 CA PHE A 48 -16.153 -4.161 2.754 1.00 32.21 C ATOM 513 C PHE A 48 -15.922 -3.171 1.631 1.00 71.42 C ATOM 514 O PHE A 48 -16.626 -2.191 1.511 1.00 12.04 O ATOM 515 CB PHE A 48 -15.052 -4.037 3.817 1.00 12.45 C ATOM 516 CG PHE A 48 -14.768 -2.654 4.317 1.00 1.51 C ATOM 517 CD1 PHE A 48 -13.836 -1.866 3.674 1.00 64.24 C ATOM 518 CD2 PHE A 48 -15.410 -2.155 5.424 1.00 10.33 C ATOM 519 CE1 PHE A 48 -13.552 -0.607 4.120 1.00 52.01 C ATOM 520 CE2 PHE A 48 -15.129 -0.886 5.883 1.00 64.54 C ATOM 521 CZ PHE A 48 -14.197 -0.109 5.226 1.00 33.21 C ATOM 0 H PHE A 48 -15.351 -6.063 2.581 1.00 23.25 H new ATOM 0 HA PHE A 48 -17.123 -3.939 3.199 1.00 32.21 H new ATOM 0 HB2 PHE A 48 -15.326 -4.660 4.669 1.00 12.45 H new ATOM 0 HB3 PHE A 48 -14.130 -4.448 3.405 1.00 12.45 H new ATOM 0 HD1 PHE A 48 -13.323 -2.251 2.805 1.00 64.24 H new ATOM 0 HD2 PHE A 48 -16.141 -2.762 5.939 1.00 10.33 H new ATOM 0 HE1 PHE A 48 -12.821 -0.003 3.604 1.00 52.01 H new ATOM 0 HE2 PHE A 48 -15.637 -0.501 6.755 1.00 64.54 H new ATOM 0 HZ PHE A 48 -13.975 0.887 5.580 1.00 33.21 H new ATOM 531 N LEU A 49 -14.951 -3.457 0.790 1.00 52.41 N ATOM 532 CA LEU A 49 -14.581 -2.554 -0.279 1.00 51.22 C ATOM 533 C LEU A 49 -15.520 -2.667 -1.474 1.00 71.33 C ATOM 534 O LEU A 49 -15.299 -2.036 -2.495 1.00 0.23 O ATOM 535 CB LEU A 49 -13.110 -2.753 -0.670 1.00 45.10 C ATOM 536 CG LEU A 49 -12.742 -4.098 -1.286 1.00 31.42 C ATOM 537 CD1 LEU A 49 -12.957 -4.116 -2.789 1.00 11.35 C ATOM 538 CD2 LEU A 49 -11.343 -4.482 -0.919 1.00 51.45 C ATOM 0 H LEU A 49 -14.400 -4.315 0.827 1.00 52.41 H new ATOM 0 HA LEU A 49 -14.688 -1.534 0.091 1.00 51.22 H new ATOM 0 HB2 LEU A 49 -12.836 -1.969 -1.376 1.00 45.10 H new ATOM 0 HB3 LEU A 49 -12.498 -2.608 0.220 1.00 45.10 H new ATOM 0 HG LEU A 49 -13.416 -4.847 -0.870 1.00 31.42 H new ATOM 0 HD11 LEU A 49 -12.682 -5.094 -3.184 1.00 11.35 H new ATOM 0 HD12 LEU A 49 -14.006 -3.918 -3.009 1.00 11.35 H new ATOM 0 HD13 LEU A 49 -12.338 -3.349 -3.254 1.00 11.35 H new ATOM 0 HD21 LEU A 49 -11.100 -5.445 -1.369 1.00 51.45 H new ATOM 0 HD22 LEU A 49 -10.650 -3.725 -1.286 1.00 51.45 H new ATOM 0 HD23 LEU A 49 -11.259 -4.556 0.165 1.00 51.45 H new ATOM 550 N GLY A 50 -16.538 -3.507 -1.347 1.00 12.24 N ATOM 551 CA GLY A 50 -17.589 -3.600 -2.359 1.00 42.35 C ATOM 552 C GLY A 50 -18.112 -2.215 -2.764 1.00 21.11 C ATOM 553 O GLY A 50 -17.946 -1.803 -3.917 1.00 12.22 O ATOM 0 H GLY A 50 -16.661 -4.136 -0.553 1.00 12.24 H new ATOM 0 HA2 GLY A 50 -17.202 -4.114 -3.239 1.00 42.35 H new ATOM 0 HA3 GLY A 50 -18.412 -4.202 -1.974 1.00 42.35 H new ATOM 557 N PRO A 51 -18.708 -1.454 -1.824 1.00 5.30 N ATOM 558 CA PRO A 51 -19.171 -0.096 -2.099 1.00 22.42 C ATOM 559 C PRO A 51 -18.026 0.933 -2.058 1.00 14.15 C ATOM 560 O PRO A 51 -18.209 2.096 -2.420 1.00 5.10 O ATOM 561 CB PRO A 51 -20.171 0.171 -0.970 1.00 14.22 C ATOM 562 CG PRO A 51 -19.713 -0.676 0.164 1.00 72.30 C ATOM 563 CD PRO A 51 -19.035 -1.875 -0.438 1.00 30.35 C ATOM 0 HA PRO A 51 -19.598 -0.005 -3.098 1.00 22.42 H new ATOM 0 HB2 PRO A 51 -20.182 1.226 -0.695 1.00 14.22 H new ATOM 0 HB3 PRO A 51 -21.185 -0.090 -1.272 1.00 14.22 H new ATOM 0 HG2 PRO A 51 -19.026 -0.125 0.806 1.00 72.30 H new ATOM 0 HG3 PRO A 51 -20.556 -0.979 0.785 1.00 72.30 H new ATOM 0 HD2 PRO A 51 -18.137 -2.145 0.118 1.00 30.35 H new ATOM 0 HD3 PRO A 51 -19.689 -2.747 -0.431 1.00 30.35 H new ATOM 571 N HIS A 52 -16.839 0.494 -1.659 1.00 31.14 N ATOM 572 CA HIS A 52 -15.700 1.401 -1.514 1.00 13.34 C ATOM 573 C HIS A 52 -14.634 1.036 -2.535 1.00 22.13 C ATOM 574 O HIS A 52 -13.461 1.214 -2.296 1.00 11.02 O ATOM 575 CB HIS A 52 -15.110 1.338 -0.090 1.00 11.33 C ATOM 576 CG HIS A 52 -16.089 1.615 1.022 1.00 71.41 C ATOM 577 ND1 HIS A 52 -16.687 2.834 1.248 1.00 15.41 N ATOM 578 CD2 HIS A 52 -16.574 0.789 1.972 1.00 52.30 C ATOM 579 CE1 HIS A 52 -17.493 2.710 2.306 1.00 74.20 C ATOM 580 NE2 HIS A 52 -17.460 1.485 2.784 1.00 71.21 N ATOM 0 H HIS A 52 -16.637 -0.479 -1.430 1.00 31.14 H new ATOM 0 HA HIS A 52 -16.045 2.420 -1.687 1.00 13.34 H new ATOM 0 HB2 HIS A 52 -14.679 0.349 0.064 1.00 11.33 H new ATOM 0 HB3 HIS A 52 -14.293 2.056 -0.020 1.00 11.33 H new ATOM 0 HD1 HIS A 52 -16.540 3.684 0.703 1.00 15.41 H new ATOM 0 HD2 HIS A 52 -16.313 -0.253 2.084 1.00 52.30 H new ATOM 0 HE1 HIS A 52 -18.093 3.510 2.715 1.00 74.20 H new ATOM 588 N ASP A 53 -15.117 0.578 -3.687 1.00 25.43 N ATOM 589 CA ASP A 53 -14.388 0.126 -4.872 1.00 5.24 C ATOM 590 C ASP A 53 -13.379 1.202 -5.366 1.00 74.01 C ATOM 591 O ASP A 53 -13.777 2.175 -5.994 1.00 30.20 O ATOM 592 CB ASP A 53 -15.523 -0.031 -5.917 1.00 63.53 C ATOM 593 CG ASP A 53 -15.207 -0.731 -7.203 1.00 42.22 C ATOM 594 OD1 ASP A 53 -14.676 -0.113 -8.131 1.00 14.34 O ATOM 595 OD2 ASP A 53 -15.568 -1.942 -7.320 1.00 24.44 O ATOM 0 H ASP A 53 -16.125 0.507 -3.829 1.00 25.43 H new ATOM 0 HA ASP A 53 -13.804 -0.776 -4.690 1.00 5.24 H new ATOM 0 HB2 ASP A 53 -16.344 -0.566 -5.439 1.00 63.53 H new ATOM 0 HB3 ASP A 53 -15.891 0.965 -6.162 1.00 63.53 H new ATOM 600 N PRO A 54 -12.060 1.062 -5.012 1.00 61.12 N ATOM 601 CA PRO A 54 -11.014 2.019 -5.365 1.00 32.53 C ATOM 602 C PRO A 54 -9.968 1.440 -6.363 1.00 52.51 C ATOM 603 O PRO A 54 -10.242 0.490 -7.101 1.00 71.02 O ATOM 604 CB PRO A 54 -10.362 2.178 -3.993 1.00 74.13 C ATOM 605 CG PRO A 54 -10.391 0.778 -3.408 1.00 34.04 C ATOM 606 CD PRO A 54 -11.481 0.015 -4.157 1.00 13.14 C ATOM 0 HA PRO A 54 -11.387 2.920 -5.852 1.00 32.53 H new ATOM 0 HB2 PRO A 54 -9.343 2.554 -4.077 1.00 74.13 H new ATOM 0 HB3 PRO A 54 -10.912 2.883 -3.369 1.00 74.13 H new ATOM 0 HG2 PRO A 54 -9.424 0.289 -3.526 1.00 34.04 H new ATOM 0 HG3 PRO A 54 -10.604 0.809 -2.339 1.00 34.04 H new ATOM 0 HD2 PRO A 54 -11.073 -0.809 -4.742 1.00 13.14 H new ATOM 0 HD3 PRO A 54 -12.220 -0.411 -3.478 1.00 13.14 H new ATOM 614 N GLU A 55 -8.771 2.030 -6.369 1.00 13.13 N ATOM 615 CA GLU A 55 -7.676 1.539 -7.179 1.00 15.14 C ATOM 616 C GLU A 55 -6.878 0.601 -6.338 1.00 4.43 C ATOM 617 O GLU A 55 -6.486 0.951 -5.214 1.00 74.33 O ATOM 618 CB GLU A 55 -6.738 2.663 -7.659 1.00 2.24 C ATOM 619 CG GLU A 55 -7.352 3.705 -8.571 1.00 73.33 C ATOM 620 CD GLU A 55 -8.316 4.616 -7.869 1.00 62.25 C ATOM 621 OE1 GLU A 55 -7.879 5.489 -7.109 1.00 3.25 O ATOM 622 OE2 GLU A 55 -9.537 4.488 -8.077 1.00 21.11 O ATOM 0 H GLU A 55 -8.543 2.855 -5.814 1.00 13.13 H new ATOM 0 HA GLU A 55 -8.098 1.060 -8.063 1.00 15.14 H new ATOM 0 HB2 GLU A 55 -6.335 3.170 -6.782 1.00 2.24 H new ATOM 0 HB3 GLU A 55 -5.895 2.207 -8.179 1.00 2.24 H new ATOM 0 HG2 GLU A 55 -6.556 4.303 -9.015 1.00 73.33 H new ATOM 0 HG3 GLU A 55 -7.868 3.203 -9.389 1.00 73.33 H new ATOM 629 N ILE A 56 -6.644 -0.560 -6.826 1.00 24.42 N ATOM 630 CA ILE A 56 -5.896 -1.525 -6.084 1.00 61.24 C ATOM 631 C ILE A 56 -4.625 -1.835 -6.824 1.00 23.13 C ATOM 632 O ILE A 56 -4.645 -2.419 -7.857 1.00 12.10 O ATOM 633 CB ILE A 56 -6.734 -2.796 -5.866 1.00 21.44 C ATOM 634 CG1 ILE A 56 -7.987 -2.438 -5.052 1.00 1.24 C ATOM 635 CG2 ILE A 56 -5.904 -3.843 -5.136 1.00 55.40 C ATOM 636 CD1 ILE A 56 -9.131 -3.387 -5.233 1.00 25.14 C ATOM 0 H ILE A 56 -6.959 -0.875 -7.744 1.00 24.42 H new ATOM 0 HA ILE A 56 -5.645 -1.122 -5.103 1.00 61.24 H new ATOM 0 HB ILE A 56 -7.038 -3.208 -6.828 1.00 21.44 H new ATOM 0 HG12 ILE A 56 -7.722 -2.404 -3.995 1.00 1.24 H new ATOM 0 HG13 ILE A 56 -8.313 -1.436 -5.331 1.00 1.24 H new ATOM 0 HG21 ILE A 56 -6.503 -4.741 -4.984 1.00 55.40 H new ATOM 0 HG22 ILE A 56 -5.024 -4.089 -5.731 1.00 55.40 H new ATOM 0 HG23 ILE A 56 -5.590 -3.449 -4.170 1.00 55.40 H new ATOM 0 HD11 ILE A 56 -9.974 -3.061 -4.624 1.00 25.14 H new ATOM 0 HD12 ILE A 56 -9.427 -3.405 -6.282 1.00 25.14 H new ATOM 0 HD13 ILE A 56 -8.826 -4.387 -4.925 1.00 25.14 H new ATOM 648 N TYR A 57 -3.543 -1.399 -6.312 1.00 2.10 N ATOM 649 CA TYR A 57 -2.278 -1.603 -6.963 1.00 43.11 C ATOM 650 C TYR A 57 -1.647 -2.865 -6.491 1.00 64.31 C ATOM 651 O TYR A 57 -1.706 -3.176 -5.322 1.00 15.50 O ATOM 652 CB TYR A 57 -1.334 -0.423 -6.721 1.00 10.13 C ATOM 653 CG TYR A 57 -1.702 0.837 -7.464 1.00 53.50 C ATOM 654 CD1 TYR A 57 -0.932 1.273 -8.524 1.00 13.22 C ATOM 655 CD2 TYR A 57 -2.816 1.584 -7.114 1.00 12.45 C ATOM 656 CE1 TYR A 57 -1.258 2.415 -9.214 1.00 44.12 C ATOM 657 CE2 TYR A 57 -3.148 2.727 -7.803 1.00 5.41 C ATOM 658 CZ TYR A 57 -2.362 3.137 -8.853 1.00 42.11 C ATOM 659 OH TYR A 57 -2.687 4.268 -9.551 1.00 34.32 O ATOM 0 H TYR A 57 -3.491 -0.889 -5.430 1.00 2.10 H new ATOM 0 HA TYR A 57 -2.464 -1.678 -8.034 1.00 43.11 H new ATOM 0 HB2 TYR A 57 -1.311 -0.206 -5.653 1.00 10.13 H new ATOM 0 HB3 TYR A 57 -0.325 -0.717 -7.008 1.00 10.13 H new ATOM 0 HD1 TYR A 57 -0.059 0.707 -8.815 1.00 13.22 H new ATOM 0 HD2 TYR A 57 -3.433 1.263 -6.287 1.00 12.45 H new ATOM 0 HE1 TYR A 57 -0.644 2.742 -10.040 1.00 44.12 H new ATOM 0 HE2 TYR A 57 -4.020 3.298 -7.521 1.00 5.41 H new ATOM 0 HH TYR A 57 -3.498 4.665 -9.171 1.00 34.32 H new ATOM 669 N VAL A 58 -1.065 -3.603 -7.386 1.00 44.15 N ATOM 670 CA VAL A 58 -0.334 -4.760 -6.996 1.00 51.43 C ATOM 671 C VAL A 58 1.033 -4.650 -7.596 1.00 30.00 C ATOM 672 O VAL A 58 1.172 -4.428 -8.802 1.00 34.20 O ATOM 673 CB VAL A 58 -1.016 -6.137 -7.357 1.00 62.41 C ATOM 674 CG1 VAL A 58 -0.852 -6.557 -8.807 1.00 42.31 C ATOM 675 CG2 VAL A 58 -0.549 -7.230 -6.424 1.00 23.54 C ATOM 0 H VAL A 58 -1.084 -3.422 -8.390 1.00 44.15 H new ATOM 0 HA VAL A 58 -0.295 -4.777 -5.907 1.00 51.43 H new ATOM 0 HB VAL A 58 -2.085 -5.976 -7.220 1.00 62.41 H new ATOM 0 HG11 VAL A 58 -1.350 -7.513 -8.968 1.00 42.31 H new ATOM 0 HG12 VAL A 58 -1.296 -5.803 -9.457 1.00 42.31 H new ATOM 0 HG13 VAL A 58 0.208 -6.657 -9.039 1.00 42.31 H new ATOM 0 HG21 VAL A 58 -1.033 -8.169 -6.693 1.00 23.54 H new ATOM 0 HG22 VAL A 58 0.532 -7.342 -6.507 1.00 23.54 H new ATOM 0 HG23 VAL A 58 -0.809 -6.968 -5.398 1.00 23.54 H new ATOM 685 N ASN A 59 2.026 -4.638 -6.736 1.00 24.41 N ATOM 686 CA ASN A 59 3.440 -4.585 -7.118 1.00 32.14 C ATOM 687 C ASN A 59 3.744 -3.294 -7.886 1.00 72.24 C ATOM 688 O ASN A 59 4.745 -3.185 -8.564 1.00 13.23 O ATOM 689 CB ASN A 59 3.790 -5.824 -7.965 1.00 1.15 C ATOM 690 CG ASN A 59 3.472 -7.120 -7.236 1.00 52.22 C ATOM 691 OD1 ASN A 59 3.593 -7.210 -6.002 1.00 72.43 O ATOM 692 ND2 ASN A 59 2.988 -8.098 -7.961 1.00 65.42 N ATOM 0 H ASN A 59 1.882 -4.665 -5.727 1.00 24.41 H new ATOM 0 HA ASN A 59 4.055 -4.588 -6.218 1.00 32.14 H new ATOM 0 HB2 ASN A 59 3.236 -5.790 -8.903 1.00 1.15 H new ATOM 0 HB3 ASN A 59 4.850 -5.802 -8.220 1.00 1.15 H new ATOM 0 HD21 ASN A 59 2.696 -8.968 -7.515 1.00 65.42 H new ATOM 0 HD22 ASN A 59 2.903 -7.990 -8.972 1.00 65.42 H new ATOM 699 N GLY A 60 2.877 -2.303 -7.721 1.00 14.22 N ATOM 700 CA GLY A 60 3.040 -1.033 -8.395 1.00 54.43 C ATOM 701 C GLY A 60 2.208 -0.918 -9.674 1.00 20.44 C ATOM 702 O GLY A 60 2.308 0.080 -10.389 1.00 73.55 O ATOM 0 H GLY A 60 2.053 -2.360 -7.123 1.00 14.22 H new ATOM 0 HA2 GLY A 60 2.760 -0.229 -7.714 1.00 54.43 H new ATOM 0 HA3 GLY A 60 4.093 -0.892 -8.640 1.00 54.43 H new ATOM 706 N LYS A 61 1.396 -1.929 -9.976 1.00 13.51 N ATOM 707 CA LYS A 61 0.559 -1.906 -11.158 1.00 51.31 C ATOM 708 C LYS A 61 -0.891 -1.802 -10.734 1.00 72.13 C ATOM 709 O LYS A 61 -1.325 -2.536 -9.850 1.00 23.41 O ATOM 710 CB LYS A 61 0.792 -3.163 -12.011 1.00 32.12 C ATOM 711 CG LYS A 61 2.245 -3.382 -12.434 1.00 13.14 C ATOM 712 CD LYS A 61 2.773 -2.225 -13.270 1.00 61.45 C ATOM 713 CE LYS A 61 4.221 -2.440 -13.669 1.00 41.23 C ATOM 714 NZ LYS A 61 4.741 -1.332 -14.492 1.00 12.11 N ATOM 0 H LYS A 61 1.305 -2.774 -9.412 1.00 13.51 H new ATOM 0 HA LYS A 61 0.817 -1.041 -11.769 1.00 51.31 H new ATOM 0 HB2 LYS A 61 0.455 -4.035 -11.450 1.00 32.12 H new ATOM 0 HB3 LYS A 61 0.172 -3.100 -12.905 1.00 32.12 H new ATOM 0 HG2 LYS A 61 2.867 -3.503 -11.547 1.00 13.14 H new ATOM 0 HG3 LYS A 61 2.321 -4.307 -13.005 1.00 13.14 H new ATOM 0 HD2 LYS A 61 2.161 -2.113 -14.165 1.00 61.45 H new ATOM 0 HD3 LYS A 61 2.684 -1.297 -12.705 1.00 61.45 H new ATOM 0 HE2 LYS A 61 4.832 -2.542 -12.772 1.00 41.23 H new ATOM 0 HE3 LYS A 61 4.309 -3.375 -14.223 1.00 41.23 H new ATOM 0 HZ1 LYS A 61 5.733 -1.521 -14.742 1.00 12.11 H new ATOM 0 HZ2 LYS A 61 4.175 -1.250 -15.361 1.00 12.11 H new ATOM 0 HZ3 LYS A 61 4.682 -0.443 -13.955 1.00 12.11 H new ATOM 728 N ILE A 62 -1.622 -0.904 -11.349 1.00 52.12 N ATOM 729 CA ILE A 62 -3.001 -0.633 -10.972 1.00 42.41 C ATOM 730 C ILE A 62 -3.923 -1.783 -11.439 1.00 45.02 C ATOM 731 O ILE A 62 -3.898 -2.205 -12.603 1.00 1.03 O ATOM 732 CB ILE A 62 -3.466 0.788 -11.518 1.00 31.31 C ATOM 733 CG1 ILE A 62 -4.709 1.367 -10.776 1.00 74.34 C ATOM 734 CG2 ILE A 62 -3.713 0.770 -13.016 1.00 45.45 C ATOM 735 CD1 ILE A 62 -6.026 0.668 -11.013 1.00 41.12 C ATOM 0 H ILE A 62 -1.284 -0.337 -12.126 1.00 52.12 H new ATOM 0 HA ILE A 62 -3.072 -0.588 -9.885 1.00 42.41 H new ATOM 0 HB ILE A 62 -2.630 1.455 -11.308 1.00 31.31 H new ATOM 0 HG12 ILE A 62 -4.504 1.352 -9.706 1.00 74.34 H new ATOM 0 HG13 ILE A 62 -4.822 2.412 -11.065 1.00 74.34 H new ATOM 0 HG21 ILE A 62 -4.028 1.760 -13.345 1.00 45.45 H new ATOM 0 HG22 ILE A 62 -2.795 0.491 -13.533 1.00 45.45 H new ATOM 0 HG23 ILE A 62 -4.494 0.045 -13.247 1.00 45.45 H new ATOM 0 HD11 ILE A 62 -6.810 1.165 -10.442 1.00 41.12 H new ATOM 0 HD12 ILE A 62 -6.271 0.705 -12.074 1.00 41.12 H new ATOM 0 HD13 ILE A 62 -5.949 -0.371 -10.694 1.00 41.12 H new ATOM 747 N GLN A 63 -4.660 -2.312 -10.520 1.00 53.21 N ATOM 748 CA GLN A 63 -5.603 -3.362 -10.769 1.00 72.32 C ATOM 749 C GLN A 63 -6.962 -2.856 -10.326 1.00 51.21 C ATOM 750 O GLN A 63 -7.061 -2.047 -9.372 1.00 2.01 O ATOM 751 CB GLN A 63 -5.262 -4.612 -9.936 1.00 23.23 C ATOM 752 CG GLN A 63 -3.801 -5.016 -9.968 1.00 25.20 C ATOM 753 CD GLN A 63 -3.286 -5.332 -11.350 1.00 70.32 C ATOM 754 OE1 GLN A 63 -4.016 -5.814 -12.213 1.00 70.21 O ATOM 755 NE2 GLN A 63 -2.029 -5.034 -11.571 1.00 14.55 N ATOM 0 H GLN A 63 -4.625 -2.020 -9.543 1.00 53.21 H new ATOM 0 HA GLN A 63 -5.585 -3.629 -11.826 1.00 72.32 H new ATOM 0 HB2 GLN A 63 -5.553 -4.432 -8.901 1.00 23.23 H new ATOM 0 HB3 GLN A 63 -5.864 -5.447 -10.296 1.00 23.23 H new ATOM 0 HG2 GLN A 63 -3.202 -4.211 -9.543 1.00 25.20 H new ATOM 0 HG3 GLN A 63 -3.661 -5.889 -9.330 1.00 25.20 H new ATOM 0 HE21 GLN A 63 -1.460 -4.635 -10.824 1.00 14.55 H new ATOM 0 HE22 GLN A 63 -1.619 -5.201 -12.490 1.00 14.55 H new ATOM 764 N THR A 64 -7.988 -3.268 -11.002 1.00 60.25 N ATOM 765 CA THR A 64 -9.311 -2.895 -10.602 1.00 33.05 C ATOM 766 C THR A 64 -9.786 -3.820 -9.453 1.00 73.04 C ATOM 767 O THR A 64 -9.103 -4.798 -9.094 1.00 22.24 O ATOM 768 CB THR A 64 -10.309 -2.887 -11.815 1.00 70.13 C ATOM 769 OG1 THR A 64 -11.616 -2.442 -11.407 1.00 25.32 O ATOM 770 CG2 THR A 64 -10.423 -4.259 -12.458 1.00 64.21 C ATOM 0 H THR A 64 -7.937 -3.861 -11.831 1.00 60.25 H new ATOM 0 HA THR A 64 -9.290 -1.871 -10.229 1.00 33.05 H new ATOM 0 HB THR A 64 -9.905 -2.191 -12.550 1.00 70.13 H new ATOM 0 HG1 THR A 64 -12.218 -2.444 -12.180 1.00 25.32 H new ATOM 0 HG21 THR A 64 -11.122 -4.213 -13.293 1.00 64.21 H new ATOM 0 HG22 THR A 64 -9.444 -4.573 -12.821 1.00 64.21 H new ATOM 0 HG23 THR A 64 -10.784 -4.977 -11.722 1.00 64.21 H new ATOM 778 N THR A 65 -10.937 -3.521 -8.914 1.00 22.32 N ATOM 779 CA THR A 65 -11.521 -4.217 -7.781 1.00 70.44 C ATOM 780 C THR A 65 -11.856 -5.644 -8.153 1.00 4.34 C ATOM 781 O THR A 65 -11.709 -6.568 -7.346 1.00 32.44 O ATOM 782 CB THR A 65 -12.736 -3.409 -7.335 1.00 24.13 C ATOM 783 OG1 THR A 65 -13.604 -3.257 -8.456 1.00 5.04 O ATOM 784 CG2 THR A 65 -12.224 -2.049 -6.980 1.00 73.44 C ATOM 0 H THR A 65 -11.521 -2.759 -9.259 1.00 22.32 H new ATOM 0 HA THR A 65 -10.822 -4.291 -6.948 1.00 70.44 H new ATOM 0 HB THR A 65 -13.258 -3.888 -6.506 1.00 24.13 H new ATOM 0 HG1 THR A 65 -14.487 -2.962 -8.149 1.00 5.04 H new ATOM 0 HG21 THR A 65 -13.053 -1.422 -6.652 1.00 73.44 H new ATOM 0 HG22 THR A 65 -11.493 -2.134 -6.176 1.00 73.44 H new ATOM 0 HG23 THR A 65 -11.752 -1.598 -7.853 1.00 73.44 H new ATOM 792 N THR A 66 -12.240 -5.810 -9.393 1.00 54.21 N ATOM 793 CA THR A 66 -12.483 -7.109 -9.967 1.00 51.32 C ATOM 794 C THR A 66 -11.179 -7.929 -9.963 1.00 21.11 C ATOM 795 O THR A 66 -11.142 -9.027 -9.433 1.00 35.13 O ATOM 796 CB THR A 66 -12.996 -6.950 -11.408 1.00 34.53 C ATOM 797 OG1 THR A 66 -14.092 -6.028 -11.405 1.00 21.43 O ATOM 798 CG2 THR A 66 -13.456 -8.288 -11.977 1.00 31.41 C ATOM 0 H THR A 66 -12.395 -5.037 -10.041 1.00 54.21 H new ATOM 0 HA THR A 66 -13.235 -7.631 -9.375 1.00 51.32 H new ATOM 0 HB THR A 66 -12.185 -6.577 -12.034 1.00 34.53 H new ATOM 0 HG1 THR A 66 -14.428 -5.916 -12.319 1.00 21.43 H new ATOM 0 HG21 THR A 66 -13.814 -8.146 -12.997 1.00 31.41 H new ATOM 0 HG22 THR A 66 -12.621 -8.989 -11.980 1.00 31.41 H new ATOM 0 HG23 THR A 66 -14.263 -8.687 -11.362 1.00 31.41 H new ATOM 806 N ALA A 67 -10.106 -7.332 -10.497 1.00 41.50 N ATOM 807 CA ALA A 67 -8.790 -7.961 -10.585 1.00 10.22 C ATOM 808 C ALA A 67 -8.303 -8.360 -9.210 1.00 53.14 C ATOM 809 O ALA A 67 -7.867 -9.484 -9.012 1.00 23.52 O ATOM 810 CB ALA A 67 -7.798 -7.016 -11.241 1.00 41.54 C ATOM 0 H ALA A 67 -10.132 -6.388 -10.883 1.00 41.50 H new ATOM 0 HA ALA A 67 -8.875 -8.859 -11.197 1.00 10.22 H new ATOM 0 HB1 ALA A 67 -6.822 -7.497 -11.300 1.00 41.54 H new ATOM 0 HB2 ALA A 67 -8.142 -6.767 -12.245 1.00 41.54 H new ATOM 0 HB3 ALA A 67 -7.718 -6.104 -10.649 1.00 41.54 H new ATOM 816 N PHE A 68 -8.393 -7.425 -8.267 1.00 5.42 N ATOM 817 CA PHE A 68 -8.068 -7.678 -6.863 1.00 2.15 C ATOM 818 C PHE A 68 -8.768 -8.913 -6.376 1.00 31.30 C ATOM 819 O PHE A 68 -8.134 -9.833 -5.885 1.00 71.00 O ATOM 820 CB PHE A 68 -8.500 -6.496 -6.003 1.00 45.34 C ATOM 821 CG PHE A 68 -8.600 -6.779 -4.503 1.00 53.41 C ATOM 822 CD1 PHE A 68 -7.483 -6.807 -3.701 1.00 35.34 C ATOM 823 CD2 PHE A 68 -9.840 -7.026 -3.916 1.00 50.53 C ATOM 824 CE1 PHE A 68 -7.588 -7.077 -2.349 1.00 34.41 C ATOM 825 CE2 PHE A 68 -9.948 -7.294 -2.572 1.00 0.34 C ATOM 826 CZ PHE A 68 -8.821 -7.322 -1.786 1.00 71.31 C ATOM 0 H PHE A 68 -8.694 -6.468 -8.454 1.00 5.42 H new ATOM 0 HA PHE A 68 -6.990 -7.817 -6.784 1.00 2.15 H new ATOM 0 HB2 PHE A 68 -7.794 -5.680 -6.155 1.00 45.34 H new ATOM 0 HB3 PHE A 68 -9.471 -6.147 -6.355 1.00 45.34 H new ATOM 0 HD1 PHE A 68 -6.512 -6.616 -4.133 1.00 35.34 H new ATOM 0 HD2 PHE A 68 -10.730 -7.007 -4.527 1.00 50.53 H new ATOM 0 HE1 PHE A 68 -6.701 -7.096 -1.733 1.00 34.41 H new ATOM 0 HE2 PHE A 68 -10.917 -7.482 -2.134 1.00 0.34 H new ATOM 0 HZ PHE A 68 -8.902 -7.535 -0.730 1.00 71.31 H new ATOM 836 N LEU A 69 -10.075 -8.898 -6.511 1.00 3.03 N ATOM 837 CA LEU A 69 -10.938 -10.005 -6.098 1.00 52.04 C ATOM 838 C LEU A 69 -10.463 -11.328 -6.731 1.00 31.10 C ATOM 839 O LEU A 69 -10.387 -12.354 -6.057 1.00 75.33 O ATOM 840 CB LEU A 69 -12.420 -9.660 -6.444 1.00 74.12 C ATOM 841 CG LEU A 69 -13.572 -10.514 -5.845 1.00 40.25 C ATOM 842 CD1 LEU A 69 -13.621 -11.928 -6.400 1.00 21.33 C ATOM 843 CD2 LEU A 69 -13.487 -10.530 -4.334 1.00 62.40 C ATOM 0 H LEU A 69 -10.584 -8.112 -6.915 1.00 3.03 H new ATOM 0 HA LEU A 69 -10.877 -10.146 -5.019 1.00 52.04 H new ATOM 0 HB2 LEU A 69 -12.592 -8.626 -6.144 1.00 74.12 H new ATOM 0 HB3 LEU A 69 -12.518 -9.697 -7.529 1.00 74.12 H new ATOM 0 HG LEU A 69 -14.504 -10.037 -6.147 1.00 40.25 H new ATOM 0 HD11 LEU A 69 -14.447 -12.471 -5.941 1.00 21.33 H new ATOM 0 HD12 LEU A 69 -13.767 -11.890 -7.480 1.00 21.33 H new ATOM 0 HD13 LEU A 69 -12.684 -12.439 -6.178 1.00 21.33 H new ATOM 0 HD21 LEU A 69 -14.301 -11.132 -3.930 1.00 62.40 H new ATOM 0 HD22 LEU A 69 -12.532 -10.958 -4.028 1.00 62.40 H new ATOM 0 HD23 LEU A 69 -13.567 -9.511 -3.954 1.00 62.40 H new ATOM 855 N GLN A 70 -10.117 -11.275 -7.989 1.00 4.14 N ATOM 856 CA GLN A 70 -9.615 -12.412 -8.720 1.00 43.43 C ATOM 857 C GLN A 70 -8.304 -12.931 -8.110 1.00 62.22 C ATOM 858 O GLN A 70 -8.176 -14.125 -7.811 1.00 62.15 O ATOM 859 CB GLN A 70 -9.427 -12.015 -10.171 1.00 73.12 C ATOM 860 CG GLN A 70 -10.727 -11.644 -10.858 1.00 21.13 C ATOM 861 CD GLN A 70 -11.672 -12.791 -11.062 1.00 23.11 C ATOM 862 OE1 GLN A 70 -12.494 -13.086 -10.209 1.00 31.34 O ATOM 863 NE2 GLN A 70 -11.598 -13.411 -12.202 1.00 54.15 N ATOM 0 H GLN A 70 -10.177 -10.424 -8.548 1.00 4.14 H new ATOM 0 HA GLN A 70 -10.335 -13.228 -8.659 1.00 43.43 H new ATOM 0 HB2 GLN A 70 -8.740 -11.170 -10.225 1.00 73.12 H new ATOM 0 HB3 GLN A 70 -8.960 -12.840 -10.710 1.00 73.12 H new ATOM 0 HG2 GLN A 70 -11.229 -10.877 -10.268 1.00 21.13 H new ATOM 0 HG3 GLN A 70 -10.498 -11.202 -11.828 1.00 21.13 H new ATOM 0 HE21 GLN A 70 -10.896 -13.134 -12.889 1.00 54.15 H new ATOM 0 HE22 GLN A 70 -12.242 -14.175 -12.410 1.00 54.15 H new ATOM 872 N PHE A 71 -7.367 -12.028 -7.857 1.00 1.14 N ATOM 873 CA PHE A 71 -6.081 -12.415 -7.277 1.00 74.20 C ATOM 874 C PHE A 71 -6.294 -12.905 -5.856 1.00 71.34 C ATOM 875 O PHE A 71 -5.701 -13.890 -5.425 1.00 35.44 O ATOM 876 CB PHE A 71 -5.082 -11.254 -7.277 1.00 24.14 C ATOM 877 CG PHE A 71 -4.725 -10.704 -8.625 1.00 55.42 C ATOM 878 CD1 PHE A 71 -4.859 -9.353 -8.881 1.00 21.12 C ATOM 879 CD2 PHE A 71 -4.259 -11.529 -9.631 1.00 15.12 C ATOM 880 CE1 PHE A 71 -4.540 -8.832 -10.113 1.00 44.42 C ATOM 881 CE2 PHE A 71 -3.936 -11.016 -10.867 1.00 72.42 C ATOM 882 CZ PHE A 71 -4.077 -9.663 -11.111 1.00 4.12 C ATOM 0 H PHE A 71 -7.468 -11.030 -8.041 1.00 1.14 H new ATOM 0 HA PHE A 71 -5.663 -13.212 -7.892 1.00 74.20 H new ATOM 0 HB2 PHE A 71 -5.493 -10.445 -6.672 1.00 24.14 H new ATOM 0 HB3 PHE A 71 -4.167 -11.586 -6.786 1.00 24.14 H new ATOM 0 HD1 PHE A 71 -5.219 -8.697 -8.103 1.00 21.12 H new ATOM 0 HD2 PHE A 71 -4.147 -12.587 -9.446 1.00 15.12 H new ATOM 0 HE1 PHE A 71 -4.652 -7.774 -10.298 1.00 44.42 H new ATOM 0 HE2 PHE A 71 -3.573 -11.670 -11.645 1.00 72.42 H new ATOM 0 HZ PHE A 71 -3.825 -9.258 -12.080 1.00 4.12 H new ATOM 892 N PHE A 72 -7.159 -12.230 -5.146 1.00 64.01 N ATOM 893 CA PHE A 72 -7.538 -12.602 -3.811 1.00 50.32 C ATOM 894 C PHE A 72 -8.066 -14.027 -3.781 1.00 52.31 C ATOM 895 O PHE A 72 -7.560 -14.860 -3.029 1.00 53.23 O ATOM 896 CB PHE A 72 -8.581 -11.606 -3.254 1.00 3.05 C ATOM 897 CG PHE A 72 -9.479 -12.189 -2.216 1.00 43.21 C ATOM 898 CD1 PHE A 72 -10.761 -12.564 -2.563 1.00 41.13 C ATOM 899 CD2 PHE A 72 -9.045 -12.400 -0.925 1.00 22.30 C ATOM 900 CE1 PHE A 72 -11.594 -13.140 -1.649 1.00 51.15 C ATOM 901 CE2 PHE A 72 -9.881 -12.974 -0.001 1.00 60.32 C ATOM 902 CZ PHE A 72 -11.157 -13.347 -0.367 1.00 72.43 C ATOM 0 H PHE A 72 -7.628 -11.391 -5.487 1.00 64.01 H new ATOM 0 HA PHE A 72 -6.656 -12.562 -3.172 1.00 50.32 H new ATOM 0 HB2 PHE A 72 -8.059 -10.749 -2.829 1.00 3.05 H new ATOM 0 HB3 PHE A 72 -9.189 -11.233 -4.078 1.00 3.05 H new ATOM 0 HD1 PHE A 72 -11.110 -12.399 -3.572 1.00 41.13 H new ATOM 0 HD2 PHE A 72 -8.044 -12.113 -0.640 1.00 22.30 H new ATOM 0 HE1 PHE A 72 -12.594 -13.432 -1.935 1.00 51.15 H new ATOM 0 HE2 PHE A 72 -9.540 -13.133 1.011 1.00 60.32 H new ATOM 0 HZ PHE A 72 -11.814 -13.804 0.359 1.00 72.43 H new ATOM 912 N ARG A 73 -9.016 -14.318 -4.658 1.00 35.32 N ATOM 913 CA ARG A 73 -9.664 -15.594 -4.658 1.00 65.23 C ATOM 914 C ARG A 73 -8.736 -16.685 -5.172 1.00 74.23 C ATOM 915 O ARG A 73 -8.942 -17.868 -4.884 1.00 33.55 O ATOM 916 CB ARG A 73 -11.015 -15.555 -5.403 1.00 31.42 C ATOM 917 CG ARG A 73 -10.951 -15.470 -6.923 1.00 41.13 C ATOM 918 CD ARG A 73 -12.345 -15.331 -7.497 1.00 32.24 C ATOM 919 NE ARG A 73 -12.412 -15.692 -8.909 1.00 15.21 N ATOM 920 CZ ARG A 73 -13.516 -16.129 -9.527 1.00 14.53 C ATOM 921 NH1 ARG A 73 -14.657 -16.276 -8.849 1.00 34.24 N ATOM 922 NH2 ARG A 73 -13.478 -16.420 -10.825 1.00 14.33 N ATOM 0 H ARG A 73 -9.347 -13.675 -5.377 1.00 35.32 H new ATOM 0 HA ARG A 73 -9.900 -15.846 -3.624 1.00 65.23 H new ATOM 0 HB2 ARG A 73 -11.578 -16.449 -5.135 1.00 31.42 H new ATOM 0 HB3 ARG A 73 -11.582 -14.699 -5.037 1.00 31.42 H new ATOM 0 HG2 ARG A 73 -10.340 -14.618 -7.222 1.00 41.13 H new ATOM 0 HG3 ARG A 73 -10.472 -16.363 -7.325 1.00 41.13 H new ATOM 0 HD2 ARG A 73 -13.031 -15.963 -6.932 1.00 32.24 H new ATOM 0 HD3 ARG A 73 -12.684 -14.302 -7.373 1.00 32.24 H new ATOM 0 HE ARG A 73 -11.560 -15.606 -9.463 1.00 15.21 H new ATOM 0 HH11 ARG A 73 -14.691 -16.055 -7.854 1.00 34.24 H new ATOM 0 HH12 ARG A 73 -15.495 -16.609 -9.326 1.00 34.24 H new ATOM 0 HH21 ARG A 73 -12.609 -16.310 -11.347 1.00 14.33 H new ATOM 0 HH22 ARG A 73 -14.318 -16.753 -11.298 1.00 14.33 H new ATOM 936 N GLN A 74 -7.712 -16.291 -5.923 1.00 75.52 N ATOM 937 CA GLN A 74 -6.696 -17.236 -6.349 1.00 43.24 C ATOM 938 C GLN A 74 -5.619 -17.454 -5.261 1.00 15.24 C ATOM 939 O GLN A 74 -4.696 -18.249 -5.447 1.00 25.04 O ATOM 940 CB GLN A 74 -6.047 -16.846 -7.678 1.00 25.12 C ATOM 941 CG GLN A 74 -6.986 -16.873 -8.869 1.00 15.34 C ATOM 942 CD GLN A 74 -6.270 -16.563 -10.168 1.00 33.12 C ATOM 943 OE1 GLN A 74 -6.160 -15.405 -10.579 1.00 53.34 O ATOM 944 NE2 GLN A 74 -5.791 -17.577 -10.831 1.00 51.21 N ATOM 0 H GLN A 74 -7.568 -15.334 -6.244 1.00 75.52 H new ATOM 0 HA GLN A 74 -7.216 -18.181 -6.507 1.00 43.24 H new ATOM 0 HB2 GLN A 74 -5.629 -15.844 -7.583 1.00 25.12 H new ATOM 0 HB3 GLN A 74 -5.214 -17.521 -7.873 1.00 25.12 H new ATOM 0 HG2 GLN A 74 -7.454 -17.855 -8.939 1.00 15.34 H new ATOM 0 HG3 GLN A 74 -7.786 -16.149 -8.715 1.00 15.34 H new ATOM 0 HE21 GLN A 74 -5.898 -18.523 -10.464 1.00 51.21 H new ATOM 0 HE22 GLN A 74 -5.309 -17.425 -11.717 1.00 51.21 H new ATOM 953 N GLY A 75 -5.724 -16.740 -4.141 1.00 34.44 N ATOM 954 CA GLY A 75 -4.817 -16.956 -3.047 1.00 11.40 C ATOM 955 C GLY A 75 -3.656 -15.988 -3.006 1.00 14.12 C ATOM 956 O GLY A 75 -2.712 -16.181 -2.248 1.00 23.13 O ATOM 0 H GLY A 75 -6.425 -16.017 -3.981 1.00 34.44 H new ATOM 0 HA2 GLY A 75 -5.370 -16.883 -2.111 1.00 11.40 H new ATOM 0 HA3 GLY A 75 -4.427 -17.972 -3.108 1.00 11.40 H new ATOM 960 N LEU A 76 -3.719 -14.942 -3.782 1.00 0.11 N ATOM 961 CA LEU A 76 -2.636 -13.964 -3.818 1.00 20.54 C ATOM 962 C LEU A 76 -2.620 -13.093 -2.568 1.00 73.31 C ATOM 963 O LEU A 76 -1.570 -12.874 -1.967 1.00 10.35 O ATOM 964 CB LEU A 76 -2.710 -13.065 -5.072 1.00 12.44 C ATOM 965 CG LEU A 76 -2.268 -13.647 -6.440 1.00 42.03 C ATOM 966 CD1 LEU A 76 -0.797 -13.979 -6.438 1.00 74.45 C ATOM 967 CD2 LEU A 76 -3.069 -14.870 -6.850 1.00 2.34 C ATOM 0 H LEU A 76 -4.502 -14.734 -4.402 1.00 0.11 H new ATOM 0 HA LEU A 76 -1.710 -14.538 -3.858 1.00 20.54 H new ATOM 0 HB2 LEU A 76 -3.741 -12.728 -5.175 1.00 12.44 H new ATOM 0 HB3 LEU A 76 -2.103 -12.180 -4.879 1.00 12.44 H new ATOM 0 HG LEU A 76 -2.463 -12.867 -7.176 1.00 42.03 H new ATOM 0 HD11 LEU A 76 -0.514 -14.385 -7.409 1.00 74.45 H new ATOM 0 HD12 LEU A 76 -0.220 -13.075 -6.241 1.00 74.45 H new ATOM 0 HD13 LEU A 76 -0.592 -14.717 -5.662 1.00 74.45 H new ATOM 0 HD21 LEU A 76 -2.713 -15.231 -7.815 1.00 2.34 H new ATOM 0 HD22 LEU A 76 -2.946 -15.653 -6.102 1.00 2.34 H new ATOM 0 HD23 LEU A 76 -4.123 -14.605 -6.928 1.00 2.34 H new ATOM 979 N PHE A 77 -3.779 -12.608 -2.163 1.00 72.23 N ATOM 980 CA PHE A 77 -3.838 -11.689 -1.030 1.00 25.12 C ATOM 981 C PHE A 77 -4.180 -12.362 0.289 1.00 1.35 C ATOM 982 O PHE A 77 -4.201 -11.709 1.313 1.00 75.13 O ATOM 983 CB PHE A 77 -4.783 -10.529 -1.311 1.00 65.52 C ATOM 984 CG PHE A 77 -4.437 -9.797 -2.569 1.00 70.44 C ATOM 985 CD1 PHE A 77 -3.178 -9.257 -2.753 1.00 43.00 C ATOM 986 CD2 PHE A 77 -5.360 -9.666 -3.571 1.00 5.01 C ATOM 987 CE1 PHE A 77 -2.862 -8.604 -3.920 1.00 50.55 C ATOM 988 CE2 PHE A 77 -5.055 -9.012 -4.731 1.00 62.53 C ATOM 989 CZ PHE A 77 -3.806 -8.480 -4.914 1.00 65.10 C ATOM 0 H PHE A 77 -4.680 -12.827 -2.589 1.00 72.23 H new ATOM 0 HA PHE A 77 -2.827 -11.299 -0.914 1.00 25.12 H new ATOM 0 HB2 PHE A 77 -5.803 -10.906 -1.383 1.00 65.52 H new ATOM 0 HB3 PHE A 77 -4.758 -9.834 -0.472 1.00 65.52 H new ATOM 0 HD1 PHE A 77 -2.437 -9.349 -1.973 1.00 43.00 H new ATOM 0 HD2 PHE A 77 -6.346 -10.087 -3.442 1.00 5.01 H new ATOM 0 HE1 PHE A 77 -1.875 -8.189 -4.057 1.00 50.55 H new ATOM 0 HE2 PHE A 77 -5.801 -8.914 -5.506 1.00 62.53 H new ATOM 0 HZ PHE A 77 -3.563 -7.966 -5.833 1.00 65.10 H new ATOM 999 N LYS A 78 -4.366 -13.680 0.272 1.00 45.55 N ATOM 1000 CA LYS A 78 -4.701 -14.425 1.509 1.00 22.33 C ATOM 1001 C LYS A 78 -3.522 -14.429 2.498 1.00 54.40 C ATOM 1002 O LYS A 78 -3.659 -14.798 3.660 1.00 61.45 O ATOM 1003 CB LYS A 78 -5.173 -15.865 1.224 1.00 35.32 C ATOM 1004 CG LYS A 78 -4.162 -16.732 0.501 1.00 24.11 C ATOM 1005 CD LYS A 78 -4.585 -18.192 0.484 1.00 62.24 C ATOM 1006 CE LYS A 78 -3.528 -19.064 -0.179 1.00 21.23 C ATOM 1007 NZ LYS A 78 -3.937 -20.484 -0.263 1.00 64.33 N ATOM 0 H LYS A 78 -4.294 -14.258 -0.566 1.00 45.55 H new ATOM 0 HA LYS A 78 -5.537 -13.896 1.968 1.00 22.33 H new ATOM 0 HB2 LYS A 78 -5.430 -16.342 2.170 1.00 35.32 H new ATOM 0 HB3 LYS A 78 -6.086 -15.823 0.630 1.00 35.32 H new ATOM 0 HG2 LYS A 78 -4.042 -16.376 -0.522 1.00 24.11 H new ATOM 0 HG3 LYS A 78 -3.190 -16.640 0.986 1.00 24.11 H new ATOM 0 HD2 LYS A 78 -4.756 -18.536 1.504 1.00 62.24 H new ATOM 0 HD3 LYS A 78 -5.530 -18.293 -0.049 1.00 62.24 H new ATOM 0 HE2 LYS A 78 -3.327 -18.687 -1.182 1.00 21.23 H new ATOM 0 HE3 LYS A 78 -2.596 -18.990 0.382 1.00 21.23 H new ATOM 0 HZ1 LYS A 78 -3.184 -21.036 -0.722 1.00 64.33 H new ATOM 0 HZ2 LYS A 78 -4.103 -20.855 0.694 1.00 64.33 H new ATOM 0 HZ3 LYS A 78 -4.811 -20.561 -0.821 1.00 64.33 H new ATOM 1021 N LYS A 79 -2.351 -14.042 2.006 1.00 70.11 N ATOM 1022 CA LYS A 79 -1.154 -13.972 2.826 1.00 53.04 C ATOM 1023 C LYS A 79 -1.206 -12.798 3.804 1.00 41.14 C ATOM 1024 O LYS A 79 -0.374 -12.697 4.718 1.00 54.41 O ATOM 1025 CB LYS A 79 0.107 -13.888 1.968 1.00 2.41 C ATOM 1026 CG LYS A 79 0.327 -15.102 1.076 1.00 71.32 C ATOM 1027 CD LYS A 79 1.703 -15.107 0.387 1.00 43.34 C ATOM 1028 CE LYS A 79 2.861 -15.535 1.319 1.00 33.52 C ATOM 1029 NZ LYS A 79 3.095 -14.609 2.451 1.00 3.33 N ATOM 0 H LYS A 79 -2.208 -13.770 1.033 1.00 70.11 H new ATOM 0 HA LYS A 79 -1.115 -14.894 3.405 1.00 53.04 H new ATOM 0 HB2 LYS A 79 0.052 -12.996 1.344 1.00 2.41 H new ATOM 0 HB3 LYS A 79 0.972 -13.767 2.621 1.00 2.41 H new ATOM 0 HG2 LYS A 79 0.224 -16.008 1.674 1.00 71.32 H new ATOM 0 HG3 LYS A 79 -0.453 -15.132 0.315 1.00 71.32 H new ATOM 0 HD2 LYS A 79 1.669 -15.781 -0.469 1.00 43.34 H new ATOM 0 HD3 LYS A 79 1.910 -14.109 -0.001 1.00 43.34 H new ATOM 0 HE2 LYS A 79 2.648 -16.529 1.713 1.00 33.52 H new ATOM 0 HE3 LYS A 79 3.776 -15.614 0.732 1.00 33.52 H new ATOM 0 HZ1 LYS A 79 4.067 -14.728 2.801 1.00 3.33 H new ATOM 0 HZ2 LYS A 79 2.960 -13.629 2.131 1.00 3.33 H new ATOM 0 HZ3 LYS A 79 2.423 -14.819 3.216 1.00 3.33 H new ATOM 1043 N LEU A 80 -2.176 -11.909 3.625 1.00 72.03 N ATOM 1044 CA LEU A 80 -2.318 -10.784 4.495 1.00 53.30 C ATOM 1045 C LEU A 80 -3.053 -11.168 5.771 1.00 61.31 C ATOM 1046 O LEU A 80 -3.140 -10.384 6.713 1.00 32.33 O ATOM 1047 CB LEU A 80 -2.950 -9.576 3.791 1.00 34.10 C ATOM 1048 CG LEU A 80 -2.049 -8.775 2.809 1.00 1.52 C ATOM 1049 CD1 LEU A 80 -0.747 -8.345 3.479 1.00 64.13 C ATOM 1050 CD2 LEU A 80 -1.767 -9.539 1.519 1.00 24.53 C ATOM 0 H LEU A 80 -2.870 -11.960 2.879 1.00 72.03 H new ATOM 0 HA LEU A 80 -1.316 -10.466 4.784 1.00 53.30 H new ATOM 0 HB2 LEU A 80 -3.823 -9.925 3.240 1.00 34.10 H new ATOM 0 HB3 LEU A 80 -3.310 -8.889 4.557 1.00 34.10 H new ATOM 0 HG LEU A 80 -2.608 -7.880 2.535 1.00 1.52 H new ATOM 0 HD11 LEU A 80 -0.138 -7.787 2.767 1.00 64.13 H new ATOM 0 HD12 LEU A 80 -0.971 -7.713 4.338 1.00 64.13 H new ATOM 0 HD13 LEU A 80 -0.200 -9.227 3.811 1.00 64.13 H new ATOM 0 HD21 LEU A 80 -1.134 -8.935 0.869 1.00 24.53 H new ATOM 0 HD22 LEU A 80 -1.258 -10.474 1.754 1.00 24.53 H new ATOM 0 HD23 LEU A 80 -2.707 -9.755 1.011 1.00 24.53 H new ATOM 1062 N LYS A 81 -3.554 -12.382 5.801 1.00 34.35 N ATOM 1063 CA LYS A 81 -4.142 -12.950 6.993 1.00 2.12 C ATOM 1064 C LYS A 81 -3.034 -13.204 8.036 1.00 31.21 C ATOM 1065 O LYS A 81 -3.267 -13.163 9.244 1.00 33.14 O ATOM 1066 CB LYS A 81 -4.951 -14.227 6.595 1.00 42.53 C ATOM 1067 CG LYS A 81 -5.463 -15.146 7.720 1.00 1.32 C ATOM 1068 CD LYS A 81 -4.382 -16.109 8.234 1.00 73.44 C ATOM 1069 CE LYS A 81 -3.898 -17.066 7.139 1.00 63.23 C ATOM 1070 NZ LYS A 81 -2.820 -17.951 7.614 1.00 4.30 N ATOM 0 H LYS A 81 -3.565 -13.007 4.995 1.00 34.35 H new ATOM 0 HA LYS A 81 -4.849 -12.265 7.462 1.00 2.12 H new ATOM 0 HB2 LYS A 81 -5.813 -13.906 6.010 1.00 42.53 H new ATOM 0 HB3 LYS A 81 -4.323 -14.826 5.936 1.00 42.53 H new ATOM 0 HG2 LYS A 81 -5.823 -14.535 8.548 1.00 1.32 H new ATOM 0 HG3 LYS A 81 -6.314 -15.722 7.355 1.00 1.32 H new ATOM 0 HD2 LYS A 81 -3.537 -15.535 8.614 1.00 73.44 H new ATOM 0 HD3 LYS A 81 -4.778 -16.685 9.070 1.00 73.44 H new ATOM 0 HE2 LYS A 81 -4.735 -17.670 6.790 1.00 63.23 H new ATOM 0 HE3 LYS A 81 -3.543 -16.489 6.285 1.00 63.23 H new ATOM 0 HZ1 LYS A 81 -2.319 -18.356 6.798 1.00 4.30 H new ATOM 0 HZ2 LYS A 81 -2.152 -17.404 8.194 1.00 4.30 H new ATOM 0 HZ3 LYS A 81 -3.227 -18.718 8.186 1.00 4.30 H new ATOM 1084 N ASP A 82 -1.813 -13.404 7.553 1.00 32.14 N ATOM 1085 CA ASP A 82 -0.655 -13.653 8.426 1.00 31.22 C ATOM 1086 C ASP A 82 0.094 -12.358 8.674 1.00 41.52 C ATOM 1087 O ASP A 82 1.220 -12.359 9.186 1.00 11.43 O ATOM 1088 CB ASP A 82 0.326 -14.659 7.786 1.00 50.20 C ATOM 1089 CG ASP A 82 -0.285 -16.000 7.499 1.00 21.42 C ATOM 1090 OD1 ASP A 82 -0.478 -16.339 6.316 1.00 12.33 O ATOM 1091 OD2 ASP A 82 -0.630 -16.726 8.443 1.00 5.45 O ATOM 0 H ASP A 82 -1.591 -13.400 6.557 1.00 32.14 H new ATOM 0 HA ASP A 82 -1.034 -14.065 9.361 1.00 31.22 H new ATOM 0 HB2 ASP A 82 0.709 -14.238 6.856 1.00 50.20 H new ATOM 0 HB3 ASP A 82 1.179 -14.793 8.451 1.00 50.20 H new ATOM 1096 N ALA A 83 -0.528 -11.257 8.338 1.00 64.23 N ATOM 1097 CA ALA A 83 0.123 -9.979 8.403 1.00 0.24 C ATOM 1098 C ALA A 83 -0.088 -9.254 9.714 1.00 13.12 C ATOM 1099 O ALA A 83 -1.138 -9.361 10.352 1.00 61.42 O ATOM 1100 CB ALA A 83 -0.293 -9.105 7.242 1.00 1.31 C ATOM 0 H ALA A 83 -1.494 -11.223 8.014 1.00 64.23 H new ATOM 0 HA ALA A 83 1.191 -10.185 8.338 1.00 0.24 H new ATOM 0 HB1 ALA A 83 0.213 -8.142 7.312 1.00 1.31 H new ATOM 0 HB2 ALA A 83 -0.020 -9.591 6.305 1.00 1.31 H new ATOM 0 HB3 ALA A 83 -1.372 -8.951 7.271 1.00 1.31 H new ATOM 1106 N GLU A 84 0.931 -8.541 10.099 1.00 44.32 N ATOM 1107 CA GLU A 84 0.934 -7.696 11.264 1.00 75.34 C ATOM 1108 C GLU A 84 0.717 -6.275 10.754 1.00 32.11 C ATOM 1109 O GLU A 84 1.262 -5.917 9.704 1.00 22.34 O ATOM 1110 CB GLU A 84 2.298 -7.790 11.953 1.00 52.44 C ATOM 1111 CG GLU A 84 2.723 -9.206 12.312 1.00 74.30 C ATOM 1112 CD GLU A 84 4.116 -9.260 12.887 1.00 54.31 C ATOM 1113 OE1 GLU A 84 4.268 -9.305 14.125 1.00 75.21 O ATOM 1114 OE2 GLU A 84 5.094 -9.256 12.110 1.00 30.14 O ATOM 0 H GLU A 84 1.817 -8.530 9.593 1.00 44.32 H new ATOM 0 HA GLU A 84 0.165 -7.988 11.979 1.00 75.34 H new ATOM 0 HB2 GLU A 84 3.053 -7.351 11.300 1.00 52.44 H new ATOM 0 HB3 GLU A 84 2.275 -7.189 12.862 1.00 52.44 H new ATOM 0 HG2 GLU A 84 2.019 -9.622 13.033 1.00 74.30 H new ATOM 0 HG3 GLU A 84 2.676 -9.833 11.422 1.00 74.30 H new ATOM 1121 N PHE A 85 -0.066 -5.485 11.442 1.00 4.22 N ATOM 1122 CA PHE A 85 -0.355 -4.143 10.973 1.00 35.32 C ATOM 1123 C PHE A 85 0.559 -3.106 11.601 1.00 33.25 C ATOM 1124 O PHE A 85 0.726 -3.048 12.828 1.00 70.10 O ATOM 1125 CB PHE A 85 -1.849 -3.762 11.141 1.00 61.45 C ATOM 1126 CG PHE A 85 -2.380 -3.785 12.553 1.00 34.11 C ATOM 1127 CD1 PHE A 85 -2.411 -2.627 13.315 1.00 54.32 C ATOM 1128 CD2 PHE A 85 -2.853 -4.961 13.111 1.00 42.51 C ATOM 1129 CE1 PHE A 85 -2.901 -2.644 14.603 1.00 33.23 C ATOM 1130 CE2 PHE A 85 -3.342 -4.983 14.398 1.00 22.14 C ATOM 1131 CZ PHE A 85 -3.365 -3.823 15.144 1.00 3.31 C ATOM 0 H PHE A 85 -0.514 -5.739 12.322 1.00 4.22 H new ATOM 0 HA PHE A 85 -0.150 -4.148 9.903 1.00 35.32 H new ATOM 0 HB2 PHE A 85 -1.997 -2.762 10.734 1.00 61.45 H new ATOM 0 HB3 PHE A 85 -2.448 -4.444 10.537 1.00 61.45 H new ATOM 0 HD1 PHE A 85 -2.047 -1.701 12.894 1.00 54.32 H new ATOM 0 HD2 PHE A 85 -2.838 -5.871 12.530 1.00 42.51 H new ATOM 0 HE1 PHE A 85 -2.921 -1.736 15.187 1.00 33.23 H new ATOM 0 HE2 PHE A 85 -3.707 -5.907 14.823 1.00 22.14 H new ATOM 0 HZ PHE A 85 -3.747 -3.839 16.154 1.00 3.31 H new ATOM 1300 N GLU A 97 -7.147 14.495 4.969 1.00 72.44 N ATOM 1301 CA GLU A 97 -6.478 13.598 5.881 1.00 33.22 C ATOM 1302 C GLU A 97 -6.522 12.172 5.378 1.00 2.15 C ATOM 1303 O GLU A 97 -7.599 11.591 5.162 1.00 62.31 O ATOM 1304 CB GLU A 97 -6.995 13.716 7.329 1.00 24.22 C ATOM 1305 CG GLU A 97 -8.485 13.527 7.497 1.00 72.12 C ATOM 1306 CD GLU A 97 -8.902 13.487 8.939 1.00 42.42 C ATOM 1307 OE1 GLU A 97 -9.028 14.554 9.569 1.00 1.13 O ATOM 1308 OE2 GLU A 97 -9.117 12.371 9.471 1.00 5.12 O ATOM 0 HA GLU A 97 -5.433 13.907 5.913 1.00 33.22 H new ATOM 0 HB2 GLU A 97 -6.480 12.978 7.943 1.00 24.22 H new ATOM 0 HB3 GLU A 97 -6.723 14.698 7.716 1.00 24.22 H new ATOM 0 HG2 GLU A 97 -9.010 14.339 6.993 1.00 72.12 H new ATOM 0 HG3 GLU A 97 -8.787 12.600 7.009 1.00 72.12 H new ATOM 1315 N GLY A 98 -5.363 11.625 5.166 1.00 40.12 N ATOM 1316 CA GLY A 98 -5.264 10.309 4.664 1.00 54.50 C ATOM 1317 C GLY A 98 -4.742 9.369 5.698 1.00 2.53 C ATOM 1318 O GLY A 98 -3.959 9.767 6.570 1.00 24.00 O ATOM 0 H GLY A 98 -4.469 12.085 5.339 1.00 40.12 H new ATOM 0 HA2 GLY A 98 -6.244 9.972 4.326 1.00 54.50 H new ATOM 0 HA3 GLY A 98 -4.606 10.298 3.795 1.00 54.50 H new ATOM 1322 N TYR A 99 -5.165 8.149 5.628 1.00 4.25 N ATOM 1323 CA TYR A 99 -4.707 7.143 6.531 1.00 63.23 C ATOM 1324 C TYR A 99 -3.959 6.111 5.728 1.00 11.24 C ATOM 1325 O TYR A 99 -4.511 5.573 4.755 1.00 22.05 O ATOM 1326 CB TYR A 99 -5.882 6.455 7.246 1.00 42.23 C ATOM 1327 CG TYR A 99 -6.913 7.382 7.852 1.00 12.43 C ATOM 1328 CD1 TYR A 99 -6.565 8.356 8.782 1.00 3.52 C ATOM 1329 CD2 TYR A 99 -8.247 7.266 7.493 1.00 14.14 C ATOM 1330 CE1 TYR A 99 -7.525 9.188 9.330 1.00 42.05 C ATOM 1331 CE2 TYR A 99 -9.210 8.082 8.029 1.00 65.43 C ATOM 1332 CZ TYR A 99 -8.847 9.051 8.949 1.00 70.41 C ATOM 1333 OH TYR A 99 -9.804 9.883 9.496 1.00 75.22 O ATOM 0 H TYR A 99 -5.842 7.820 4.939 1.00 4.25 H new ATOM 0 HA TYR A 99 -4.072 7.604 7.287 1.00 63.23 H new ATOM 0 HB2 TYR A 99 -6.383 5.799 6.534 1.00 42.23 H new ATOM 0 HB3 TYR A 99 -5.481 5.820 8.036 1.00 42.23 H new ATOM 0 HD1 TYR A 99 -5.533 8.464 9.080 1.00 3.52 H new ATOM 0 HD2 TYR A 99 -8.535 6.514 6.773 1.00 14.14 H new ATOM 0 HE1 TYR A 99 -7.243 9.941 10.052 1.00 42.05 H new ATOM 0 HE2 TYR A 99 -10.243 7.970 7.736 1.00 65.43 H new ATOM 0 HH TYR A 99 -9.400 10.749 9.711 1.00 75.22 H new ATOM 1343 N LYS A 100 -2.710 5.900 6.072 1.00 14.34 N ATOM 1344 CA LYS A 100 -1.906 4.862 5.468 1.00 2.53 C ATOM 1345 C LYS A 100 -1.810 3.696 6.425 1.00 63.33 C ATOM 1346 O LYS A 100 -1.092 3.761 7.424 1.00 40.23 O ATOM 1347 CB LYS A 100 -0.479 5.345 5.120 1.00 54.21 C ATOM 1348 CG LYS A 100 -0.309 6.138 3.817 1.00 73.11 C ATOM 1349 CD LYS A 100 -1.065 7.458 3.783 1.00 62.51 C ATOM 1350 CE LYS A 100 -0.706 8.229 2.522 1.00 74.13 C ATOM 1351 NZ LYS A 100 -1.477 9.475 2.361 1.00 30.40 N ATOM 0 H LYS A 100 -2.221 6.445 6.781 1.00 14.34 H new ATOM 0 HA LYS A 100 -2.391 4.570 4.537 1.00 2.53 H new ATOM 0 HB2 LYS A 100 -0.121 5.965 5.942 1.00 54.21 H new ATOM 0 HB3 LYS A 100 0.172 4.472 5.072 1.00 54.21 H new ATOM 0 HG2 LYS A 100 0.752 6.336 3.662 1.00 73.11 H new ATOM 0 HG3 LYS A 100 -0.643 5.520 2.983 1.00 73.11 H new ATOM 0 HD2 LYS A 100 -2.139 7.273 3.813 1.00 62.51 H new ATOM 0 HD3 LYS A 100 -0.819 8.051 4.664 1.00 62.51 H new ATOM 0 HE2 LYS A 100 0.357 8.468 2.541 1.00 74.13 H new ATOM 0 HE3 LYS A 100 -0.874 7.591 1.654 1.00 74.13 H new ATOM 0 HZ1 LYS A 100 -1.186 9.953 1.484 1.00 30.40 H new ATOM 0 HZ2 LYS A 100 -2.492 9.252 2.313 1.00 30.40 H new ATOM 0 HZ3 LYS A 100 -1.298 10.101 3.172 1.00 30.40 H new ATOM 1365 N LEU A 101 -2.548 2.670 6.159 1.00 50.15 N ATOM 1366 CA LEU A 101 -2.518 1.484 6.987 1.00 54.25 C ATOM 1367 C LEU A 101 -1.690 0.457 6.262 1.00 34.23 C ATOM 1368 O LEU A 101 -1.965 0.170 5.103 1.00 64.24 O ATOM 1369 CB LEU A 101 -3.934 0.905 7.241 1.00 41.20 C ATOM 1370 CG LEU A 101 -4.994 1.792 7.933 1.00 12.10 C ATOM 1371 CD1 LEU A 101 -4.468 2.422 9.207 1.00 24.02 C ATOM 1372 CD2 LEU A 101 -5.589 2.831 6.989 1.00 21.24 C ATOM 0 H LEU A 101 -3.190 2.618 5.368 1.00 50.15 H new ATOM 0 HA LEU A 101 -2.099 1.742 7.960 1.00 54.25 H new ATOM 0 HB2 LEU A 101 -4.341 0.597 6.278 1.00 41.20 H new ATOM 0 HB3 LEU A 101 -3.818 0.003 7.841 1.00 41.20 H new ATOM 0 HG LEU A 101 -5.809 1.128 8.220 1.00 12.10 H new ATOM 0 HD11 LEU A 101 -5.248 3.036 9.658 1.00 24.02 H new ATOM 0 HD12 LEU A 101 -4.173 1.639 9.905 1.00 24.02 H new ATOM 0 HD13 LEU A 101 -3.604 3.045 8.975 1.00 24.02 H new ATOM 0 HD21 LEU A 101 -6.328 3.428 7.524 1.00 21.24 H new ATOM 0 HD22 LEU A 101 -4.797 3.481 6.618 1.00 21.24 H new ATOM 0 HD23 LEU A 101 -6.068 2.328 6.149 1.00 21.24 H new ATOM 1384 N VAL A 102 -0.671 -0.073 6.895 1.00 44.22 N ATOM 1385 CA VAL A 102 0.184 -1.024 6.214 1.00 42.41 C ATOM 1386 C VAL A 102 0.260 -2.320 6.992 1.00 71.24 C ATOM 1387 O VAL A 102 0.412 -2.309 8.202 1.00 33.34 O ATOM 1388 CB VAL A 102 1.627 -0.491 6.006 1.00 1.14 C ATOM 1389 CG1 VAL A 102 2.426 -1.398 5.069 1.00 22.34 C ATOM 1390 CG2 VAL A 102 1.642 0.946 5.511 1.00 61.04 C ATOM 0 H VAL A 102 -0.414 0.130 7.861 1.00 44.22 H new ATOM 0 HA VAL A 102 -0.265 -1.189 5.235 1.00 42.41 H new ATOM 0 HB VAL A 102 2.110 -0.502 6.983 1.00 1.14 H new ATOM 0 HG11 VAL A 102 3.432 -0.997 4.944 1.00 22.34 H new ATOM 0 HG12 VAL A 102 2.485 -2.400 5.495 1.00 22.34 H new ATOM 0 HG13 VAL A 102 1.931 -1.445 4.099 1.00 22.34 H new ATOM 0 HG21 VAL A 102 2.673 1.275 5.380 1.00 61.04 H new ATOM 0 HG22 VAL A 102 1.118 1.008 4.557 1.00 61.04 H new ATOM 0 HG23 VAL A 102 1.146 1.587 6.240 1.00 61.04 H new ATOM 1400 N TRP A 103 0.135 -3.405 6.304 1.00 41.12 N ATOM 1401 CA TRP A 103 0.256 -4.715 6.884 1.00 65.12 C ATOM 1402 C TRP A 103 1.459 -5.384 6.296 1.00 52.33 C ATOM 1403 O TRP A 103 1.736 -5.235 5.106 1.00 53.42 O ATOM 1404 CB TRP A 103 -0.981 -5.574 6.608 1.00 12.15 C ATOM 1405 CG TRP A 103 -2.242 -5.064 7.212 1.00 73.51 C ATOM 1406 CD1 TRP A 103 -2.845 -5.507 8.350 1.00 0.21 C ATOM 1407 CD2 TRP A 103 -3.063 -4.023 6.700 1.00 22.11 C ATOM 1408 NE1 TRP A 103 -3.991 -4.790 8.579 1.00 20.41 N ATOM 1409 CE2 TRP A 103 -4.149 -3.879 7.572 1.00 10.21 C ATOM 1410 CE3 TRP A 103 -2.977 -3.195 5.583 1.00 73.00 C ATOM 1411 CZ2 TRP A 103 -5.146 -2.948 7.358 1.00 52.50 C ATOM 1412 CZ3 TRP A 103 -3.962 -2.274 5.373 1.00 52.55 C ATOM 1413 CH2 TRP A 103 -5.032 -2.157 6.254 1.00 53.24 C ATOM 0 H TRP A 103 -0.058 -3.414 5.302 1.00 41.12 H new ATOM 0 HA TRP A 103 0.354 -4.608 7.964 1.00 65.12 H new ATOM 0 HB2 TRP A 103 -1.117 -5.654 5.530 1.00 12.15 H new ATOM 0 HB3 TRP A 103 -0.797 -6.581 6.981 1.00 12.15 H new ATOM 0 HD1 TRP A 103 -2.476 -6.304 8.978 1.00 0.21 H new ATOM 0 HE1 TRP A 103 -4.622 -4.916 9.371 1.00 20.41 H new ATOM 0 HE3 TRP A 103 -2.147 -3.280 4.897 1.00 73.00 H new ATOM 0 HZ2 TRP A 103 -5.981 -2.851 8.037 1.00 52.50 H new ATOM 0 HZ3 TRP A 103 -3.910 -1.627 4.510 1.00 52.55 H new ATOM 0 HH2 TRP A 103 -5.795 -1.418 6.058 1.00 53.24 H new ATOM 1424 N LYS A 104 2.181 -6.075 7.113 1.00 73.33 N ATOM 1425 CA LYS A 104 3.347 -6.789 6.685 1.00 41.24 C ATOM 1426 C LYS A 104 3.125 -8.256 6.964 1.00 11.24 C ATOM 1427 O LYS A 104 2.892 -8.639 8.121 1.00 31.51 O ATOM 1428 CB LYS A 104 4.563 -6.310 7.475 1.00 64.24 C ATOM 1429 CG LYS A 104 4.840 -4.823 7.388 1.00 54.42 C ATOM 1430 CD LYS A 104 5.963 -4.442 8.331 1.00 63.24 C ATOM 1431 CE LYS A 104 6.278 -2.957 8.289 1.00 24.14 C ATOM 1432 NZ LYS A 104 6.837 -2.517 6.993 1.00 2.12 N ATOM 0 H LYS A 104 1.980 -6.164 8.109 1.00 73.33 H new ATOM 0 HA LYS A 104 3.522 -6.619 5.623 1.00 41.24 H new ATOM 0 HB2 LYS A 104 4.425 -6.578 8.523 1.00 64.24 H new ATOM 0 HB3 LYS A 104 5.442 -6.849 7.122 1.00 64.24 H new ATOM 0 HG2 LYS A 104 5.107 -4.555 6.366 1.00 54.42 H new ATOM 0 HG3 LYS A 104 3.939 -4.263 7.639 1.00 54.42 H new ATOM 0 HD2 LYS A 104 5.691 -4.724 9.348 1.00 63.24 H new ATOM 0 HD3 LYS A 104 6.858 -5.008 8.072 1.00 63.24 H new ATOM 0 HE2 LYS A 104 5.368 -2.393 8.495 1.00 24.14 H new ATOM 0 HE3 LYS A 104 6.987 -2.720 9.082 1.00 24.14 H new ATOM 0 HZ1 LYS A 104 7.233 -1.560 7.092 1.00 2.12 H new ATOM 0 HZ2 LYS A 104 7.588 -3.173 6.698 1.00 2.12 H new ATOM 0 HZ3 LYS A 104 6.084 -2.507 6.276 1.00 2.12 H new ATOM 1446 N SER A 105 3.175 -9.070 5.942 1.00 21.25 N ATOM 1447 CA SER A 105 2.994 -10.499 6.083 1.00 52.12 C ATOM 1448 C SER A 105 4.225 -11.077 6.799 1.00 42.34 C ATOM 1449 O SER A 105 5.251 -10.387 6.913 1.00 34.41 O ATOM 1450 CB SER A 105 2.778 -11.141 4.693 1.00 15.14 C ATOM 1451 OG SER A 105 2.400 -12.513 4.784 1.00 41.11 O ATOM 0 H SER A 105 3.343 -8.764 4.984 1.00 21.25 H new ATOM 0 HA SER A 105 2.109 -10.720 6.680 1.00 52.12 H new ATOM 0 HB2 SER A 105 2.007 -10.589 4.156 1.00 15.14 H new ATOM 0 HB3 SER A 105 3.695 -11.057 4.110 1.00 15.14 H new ATOM 0 HG SER A 105 1.423 -12.585 4.763 1.00 41.11 H new ATOM 1640 N TRP A 117 8.963 -10.608 2.858 1.00 41.11 N ATOM 1641 CA TRP A 117 7.599 -10.531 3.334 1.00 24.30 C ATOM 1642 C TRP A 117 6.755 -9.811 2.289 1.00 45.14 C ATOM 1643 O TRP A 117 7.291 -9.315 1.300 1.00 45.33 O ATOM 1644 CB TRP A 117 7.564 -9.758 4.675 1.00 31.52 C ATOM 1645 CG TRP A 117 8.024 -8.325 4.567 1.00 61.31 C ATOM 1646 CD1 TRP A 117 7.236 -7.241 4.387 1.00 62.14 C ATOM 1647 CD2 TRP A 117 9.373 -7.826 4.621 1.00 23.54 C ATOM 1648 NE1 TRP A 117 7.999 -6.106 4.305 1.00 25.04 N ATOM 1649 CE2 TRP A 117 9.303 -6.434 4.449 1.00 55.04 C ATOM 1650 CE3 TRP A 117 10.627 -8.414 4.792 1.00 21.22 C ATOM 1651 CZ2 TRP A 117 10.424 -5.627 4.443 1.00 15.52 C ATOM 1652 CZ3 TRP A 117 11.741 -7.601 4.784 1.00 44.24 C ATOM 1653 CH2 TRP A 117 11.625 -6.226 4.610 1.00 1.14 C ATOM 0 HA TRP A 117 7.200 -11.532 3.496 1.00 24.30 H new ATOM 0 HB2 TRP A 117 6.547 -9.774 5.066 1.00 31.52 H new ATOM 0 HB3 TRP A 117 8.192 -10.277 5.399 1.00 31.52 H new ATOM 0 HD1 TRP A 117 6.159 -7.266 4.318 1.00 62.14 H new ATOM 0 HE1 TRP A 117 7.640 -5.163 4.158 1.00 25.04 H new ATOM 0 HE3 TRP A 117 10.723 -9.481 4.927 1.00 21.22 H new ATOM 0 HZ2 TRP A 117 10.344 -4.558 4.310 1.00 15.52 H new ATOM 0 HZ3 TRP A 117 12.719 -8.039 4.915 1.00 44.24 H new ATOM 0 HH2 TRP A 117 12.519 -5.620 4.608 1.00 1.14 H new ATOM 1664 N ASP A 118 5.462 -9.757 2.485 1.00 22.11 N ATOM 1665 CA ASP A 118 4.590 -9.034 1.567 1.00 13.02 C ATOM 1666 C ASP A 118 4.007 -7.884 2.320 1.00 2.04 C ATOM 1667 O ASP A 118 3.723 -8.014 3.512 1.00 60.45 O ATOM 1668 CB ASP A 118 3.416 -9.891 1.054 1.00 65.13 C ATOM 1669 CG ASP A 118 3.820 -11.268 0.589 1.00 65.33 C ATOM 1670 OD1 ASP A 118 4.339 -11.402 -0.528 1.00 50.33 O ATOM 1671 OD2 ASP A 118 3.632 -12.251 1.339 1.00 42.42 O ATOM 0 H ASP A 118 4.982 -10.201 3.268 1.00 22.11 H new ATOM 0 HA ASP A 118 5.186 -8.731 0.706 1.00 13.02 H new ATOM 0 HB2 ASP A 118 2.677 -9.989 1.849 1.00 65.13 H new ATOM 0 HB3 ASP A 118 2.931 -9.368 0.230 1.00 65.13 H new ATOM 1676 N GLU A 119 3.824 -6.782 1.668 1.00 11.13 N ATOM 1677 CA GLU A 119 3.231 -5.629 2.313 1.00 44.41 C ATOM 1678 C GLU A 119 1.964 -5.171 1.648 1.00 44.45 C ATOM 1679 O GLU A 119 1.732 -5.421 0.457 1.00 63.13 O ATOM 1680 CB GLU A 119 4.215 -4.474 2.519 1.00 24.14 C ATOM 1681 CG GLU A 119 5.111 -4.691 3.698 1.00 72.33 C ATOM 1682 CD GLU A 119 5.999 -3.526 4.023 1.00 70.10 C ATOM 1683 OE1 GLU A 119 5.544 -2.575 4.687 1.00 44.54 O ATOM 1684 OE2 GLU A 119 7.189 -3.571 3.698 1.00 72.30 O ATOM 0 H GLU A 119 4.073 -6.644 0.688 1.00 11.13 H new ATOM 0 HA GLU A 119 2.955 -5.976 3.309 1.00 44.41 H new ATOM 0 HB2 GLU A 119 4.822 -4.353 1.622 1.00 24.14 H new ATOM 0 HB3 GLU A 119 3.659 -3.546 2.655 1.00 24.14 H new ATOM 0 HG2 GLU A 119 4.497 -4.918 4.569 1.00 72.33 H new ATOM 0 HG3 GLU A 119 5.734 -5.566 3.510 1.00 72.33 H new ATOM 1691 N ALA A 120 1.138 -4.540 2.428 1.00 43.34 N ATOM 1692 CA ALA A 120 -0.122 -4.019 1.981 1.00 74.44 C ATOM 1693 C ALA A 120 -0.315 -2.652 2.559 1.00 3.14 C ATOM 1694 O ALA A 120 -0.329 -2.503 3.752 1.00 75.10 O ATOM 1695 CB ALA A 120 -1.235 -4.925 2.434 1.00 31.02 C ATOM 0 H ALA A 120 1.325 -4.369 3.416 1.00 43.34 H new ATOM 0 HA ALA A 120 -0.132 -3.963 0.893 1.00 74.44 H new ATOM 0 HB1 ALA A 120 -2.190 -4.526 2.093 1.00 31.02 H new ATOM 0 HB2 ALA A 120 -1.087 -5.920 2.015 1.00 31.02 H new ATOM 0 HB3 ALA A 120 -1.235 -4.985 3.522 1.00 31.02 H new ATOM 1701 N GLU A 121 -0.470 -1.681 1.721 1.00 34.44 N ATOM 1702 CA GLU A 121 -0.597 -0.316 2.145 1.00 12.10 C ATOM 1703 C GLU A 121 -1.924 0.233 1.639 1.00 51.01 C ATOM 1704 O GLU A 121 -2.117 0.405 0.444 1.00 14.51 O ATOM 1705 CB GLU A 121 0.583 0.473 1.568 1.00 40.20 C ATOM 1706 CG GLU A 121 0.653 1.949 1.936 1.00 34.23 C ATOM 1707 CD GLU A 121 1.848 2.623 1.297 1.00 60.33 C ATOM 1708 OE1 GLU A 121 2.625 1.942 0.589 1.00 10.43 O ATOM 1709 OE2 GLU A 121 2.015 3.846 1.432 1.00 5.24 O ATOM 0 H GLU A 121 -0.513 -1.809 0.710 1.00 34.44 H new ATOM 0 HA GLU A 121 -0.583 -0.234 3.232 1.00 12.10 H new ATOM 0 HB2 GLU A 121 1.506 -0.005 1.895 1.00 40.20 H new ATOM 0 HB3 GLU A 121 0.550 0.393 0.481 1.00 40.20 H new ATOM 0 HG2 GLU A 121 -0.262 2.449 1.617 1.00 34.23 H new ATOM 0 HG3 GLU A 121 0.712 2.053 3.019 1.00 34.23 H new ATOM 1716 N ALA A 122 -2.826 0.461 2.538 1.00 23.52 N ATOM 1717 CA ALA A 122 -4.124 0.986 2.225 1.00 23.24 C ATOM 1718 C ALA A 122 -4.155 2.484 2.452 1.00 23.24 C ATOM 1719 O ALA A 122 -3.671 2.975 3.475 1.00 45.33 O ATOM 1720 CB ALA A 122 -5.182 0.307 3.083 1.00 31.15 C ATOM 0 H ALA A 122 -2.682 0.285 3.532 1.00 23.52 H new ATOM 0 HA ALA A 122 -4.337 0.787 1.175 1.00 23.24 H new ATOM 0 HB1 ALA A 122 -6.164 0.712 2.838 1.00 31.15 H new ATOM 0 HB2 ALA A 122 -5.174 -0.766 2.890 1.00 31.15 H new ATOM 0 HB3 ALA A 122 -4.967 0.488 4.136 1.00 31.15 H new ATOM 1726 N TYR A 123 -4.705 3.190 1.498 1.00 71.13 N ATOM 1727 CA TYR A 123 -4.839 4.627 1.540 1.00 62.10 C ATOM 1728 C TYR A 123 -6.305 4.974 1.623 1.00 0.43 C ATOM 1729 O TYR A 123 -7.081 4.652 0.701 1.00 12.04 O ATOM 1730 CB TYR A 123 -4.307 5.266 0.246 1.00 1.41 C ATOM 1731 CG TYR A 123 -2.868 5.007 -0.090 1.00 43.05 C ATOM 1732 CD1 TYR A 123 -1.938 6.005 0.045 1.00 75.35 C ATOM 1733 CD2 TYR A 123 -2.449 3.772 -0.566 1.00 20.21 C ATOM 1734 CE1 TYR A 123 -0.621 5.794 -0.276 1.00 74.44 C ATOM 1735 CE2 TYR A 123 -1.138 3.542 -0.886 1.00 21.32 C ATOM 1736 CZ TYR A 123 -0.224 4.564 -0.739 1.00 40.52 C ATOM 1737 OH TYR A 123 1.095 4.361 -1.067 1.00 40.53 O ATOM 0 H TYR A 123 -5.083 2.772 0.647 1.00 71.13 H new ATOM 0 HA TYR A 123 -4.278 4.995 2.399 1.00 62.10 H new ATOM 0 HB2 TYR A 123 -4.919 4.914 -0.584 1.00 1.41 H new ATOM 0 HB3 TYR A 123 -4.452 6.344 0.314 1.00 1.41 H new ATOM 0 HD1 TYR A 123 -2.247 6.973 0.410 1.00 75.35 H new ATOM 0 HD2 TYR A 123 -3.171 2.978 -0.686 1.00 20.21 H new ATOM 0 HE1 TYR A 123 0.099 6.591 -0.165 1.00 74.44 H new ATOM 0 HE2 TYR A 123 -0.824 2.574 -1.248 1.00 21.32 H new ATOM 0 HH TYR A 123 1.668 4.809 -0.410 1.00 40.53 H new ATOM 1747 N ILE A 124 -6.693 5.589 2.690 1.00 23.33 N ATOM 1748 CA ILE A 124 -8.060 6.086 2.844 1.00 72.30 C ATOM 1749 C ILE A 124 -7.955 7.583 3.019 1.00 43.23 C ATOM 1750 O ILE A 124 -6.934 8.051 3.517 1.00 54.02 O ATOM 1751 CB ILE A 124 -8.750 5.488 4.114 1.00 14.42 C ATOM 1752 CG1 ILE A 124 -8.784 3.960 4.066 1.00 54.12 C ATOM 1753 CG2 ILE A 124 -10.166 6.049 4.327 1.00 13.23 C ATOM 1754 CD1 ILE A 124 -9.509 3.345 5.243 1.00 34.22 C ATOM 0 H ILE A 124 -6.088 5.772 3.491 1.00 23.33 H new ATOM 0 HA ILE A 124 -8.654 5.802 1.976 1.00 72.30 H new ATOM 0 HB ILE A 124 -8.143 5.793 4.966 1.00 14.42 H new ATOM 0 HG12 ILE A 124 -9.268 3.642 3.142 1.00 54.12 H new ATOM 0 HG13 ILE A 124 -7.763 3.581 4.038 1.00 54.12 H new ATOM 0 HG21 ILE A 124 -10.603 5.604 5.221 1.00 13.23 H new ATOM 0 HG22 ILE A 124 -10.114 7.131 4.449 1.00 13.23 H new ATOM 0 HG23 ILE A 124 -10.786 5.811 3.463 1.00 13.23 H new ATOM 0 HD11 ILE A 124 -9.498 2.259 5.150 1.00 34.22 H new ATOM 0 HD12 ILE A 124 -9.012 3.635 6.169 1.00 34.22 H new ATOM 0 HD13 ILE A 124 -10.540 3.697 5.260 1.00 34.22 H new ATOM 1766 N TRP A 125 -8.935 8.338 2.589 1.00 72.42 N ATOM 1767 CA TRP A 125 -8.898 9.746 2.847 1.00 21.31 C ATOM 1768 C TRP A 125 -10.247 10.196 3.353 1.00 23.21 C ATOM 1769 O TRP A 125 -11.309 9.632 2.960 1.00 45.24 O ATOM 1770 CB TRP A 125 -8.428 10.582 1.608 1.00 0.43 C ATOM 1771 CG TRP A 125 -9.509 11.078 0.658 1.00 51.43 C ATOM 1772 CD1 TRP A 125 -9.920 12.379 0.510 1.00 63.02 C ATOM 1773 CD2 TRP A 125 -10.309 10.310 -0.255 1.00 2.30 C ATOM 1774 NE1 TRP A 125 -10.911 12.460 -0.435 1.00 22.23 N ATOM 1775 CE2 TRP A 125 -11.167 11.210 -0.918 1.00 51.25 C ATOM 1776 CE3 TRP A 125 -10.383 8.962 -0.578 1.00 10.12 C ATOM 1777 CZ2 TRP A 125 -12.082 10.796 -1.878 1.00 53.45 C ATOM 1778 CZ3 TRP A 125 -11.293 8.549 -1.527 1.00 73.32 C ATOM 1779 CH2 TRP A 125 -12.132 9.466 -2.169 1.00 12.22 C ATOM 0 H TRP A 125 -9.749 8.007 2.071 1.00 72.42 H new ATOM 0 HA TRP A 125 -8.148 9.929 3.616 1.00 21.31 H new ATOM 0 HB2 TRP A 125 -7.875 11.447 1.973 1.00 0.43 H new ATOM 0 HB3 TRP A 125 -7.727 9.974 1.036 1.00 0.43 H new ATOM 0 HD1 TRP A 125 -9.520 13.219 1.059 1.00 63.02 H new ATOM 0 HE1 TRP A 125 -11.381 13.316 -0.729 1.00 22.23 H new ATOM 0 HE3 TRP A 125 -9.736 8.247 -0.092 1.00 10.12 H new ATOM 0 HZ2 TRP A 125 -12.730 11.503 -2.375 1.00 53.45 H new ATOM 0 HZ3 TRP A 125 -11.359 7.501 -1.779 1.00 73.32 H new ATOM 0 HH2 TRP A 125 -12.833 9.113 -2.910 1.00 12.22 H new ATOM 1790 N ARG A 126 -10.227 11.123 4.273 1.00 72.14 N ATOM 1791 CA ARG A 126 -11.433 11.724 4.718 1.00 75.24 C ATOM 1792 C ARG A 126 -11.660 12.910 3.835 1.00 41.34 C ATOM 1793 O ARG A 126 -10.753 13.716 3.608 1.00 43.15 O ATOM 1794 CB ARG A 126 -11.386 12.179 6.177 1.00 51.11 C ATOM 1795 CG ARG A 126 -12.744 12.666 6.683 1.00 75.24 C ATOM 1796 CD ARG A 126 -12.664 13.366 8.025 1.00 32.41 C ATOM 1797 NE ARG A 126 -12.052 12.541 9.066 1.00 51.04 N ATOM 1798 CZ ARG A 126 -12.421 12.523 10.351 1.00 72.44 C ATOM 1799 NH1 ARG A 126 -13.489 13.197 10.757 1.00 75.42 N ATOM 1800 NH2 ARG A 126 -11.713 11.820 11.227 1.00 0.02 N ATOM 0 H ARG A 126 -9.381 11.472 4.723 1.00 72.14 H new ATOM 0 HA ARG A 126 -12.236 10.989 4.663 1.00 75.24 H new ATOM 0 HB2 ARG A 126 -11.044 11.353 6.801 1.00 51.11 H new ATOM 0 HB3 ARG A 126 -10.655 12.980 6.281 1.00 51.11 H new ATOM 0 HG2 ARG A 126 -13.175 13.348 5.950 1.00 75.24 H new ATOM 0 HG3 ARG A 126 -13.421 11.816 6.764 1.00 75.24 H new ATOM 0 HD2 ARG A 126 -12.090 14.286 7.915 1.00 32.41 H new ATOM 0 HD3 ARG A 126 -13.668 13.652 8.339 1.00 32.41 H new ATOM 0 HE ARG A 126 -11.283 11.931 8.790 1.00 51.04 H new ATOM 0 HH11 ARG A 126 -14.037 13.736 10.087 1.00 75.42 H new ATOM 0 HH12 ARG A 126 -13.762 13.177 11.740 1.00 75.42 H new ATOM 0 HH21 ARG A 126 -10.893 11.298 10.918 1.00 0.02 H new ATOM 0 HH22 ARG A 126 -11.989 11.802 12.209 1.00 0.02 H new ATOM 1814 N ARG A 127 -12.820 13.012 3.350 1.00 52.12 N ATOM 1815 CA ARG A 127 -13.186 14.049 2.465 1.00 62.25 C ATOM 1816 C ARG A 127 -13.586 15.223 3.316 1.00 13.04 C ATOM 1817 O ARG A 127 -14.141 15.034 4.401 1.00 5.23 O ATOM 1818 CB ARG A 127 -14.345 13.566 1.618 1.00 21.21 C ATOM 1819 CG ARG A 127 -14.088 12.214 0.991 1.00 51.33 C ATOM 1820 CD ARG A 127 -15.230 11.751 0.114 1.00 25.34 C ATOM 1821 NE ARG A 127 -15.416 12.588 -1.078 1.00 42.33 N ATOM 1822 CZ ARG A 127 -16.611 12.895 -1.601 1.00 25.13 C ATOM 1823 NH1 ARG A 127 -17.722 12.638 -0.911 1.00 74.42 N ATOM 1824 NH2 ARG A 127 -16.691 13.499 -2.791 1.00 33.24 N ATOM 0 H ARG A 127 -13.576 12.359 3.558 1.00 52.12 H new ATOM 0 HA ARG A 127 -12.373 14.336 1.798 1.00 62.25 H new ATOM 0 HB2 ARG A 127 -15.242 13.511 2.235 1.00 21.21 H new ATOM 0 HB3 ARG A 127 -14.543 14.294 0.832 1.00 21.21 H new ATOM 0 HG2 ARG A 127 -13.175 12.261 0.397 1.00 51.33 H new ATOM 0 HG3 ARG A 127 -13.919 11.479 1.778 1.00 51.33 H new ATOM 0 HD2 ARG A 127 -15.048 10.722 -0.196 1.00 25.34 H new ATOM 0 HD3 ARG A 127 -16.151 11.750 0.697 1.00 25.34 H new ATOM 0 HE ARG A 127 -14.584 12.959 -1.537 1.00 42.33 H new ATOM 0 HH11 ARG A 127 -17.661 12.209 0.012 1.00 74.42 H new ATOM 0 HH12 ARG A 127 -18.633 12.870 -1.306 1.00 74.42 H new ATOM 0 HH21 ARG A 127 -15.840 13.728 -3.305 1.00 33.24 H new ATOM 0 HH22 ARG A 127 -17.603 13.731 -3.185 1.00 33.24 H new ATOM 1838 N LYS A 128 -13.290 16.418 2.870 1.00 10.14 N ATOM 1839 CA LYS A 128 -13.589 17.620 3.642 1.00 62.10 C ATOM 1840 C LYS A 128 -15.082 17.872 3.880 1.00 33.33 C ATOM 1841 O LYS A 128 -15.447 18.715 4.708 1.00 75.01 O ATOM 1842 CB LYS A 128 -12.846 18.852 3.111 1.00 0.30 C ATOM 1843 CG LYS A 128 -13.011 19.138 1.631 1.00 10.24 C ATOM 1844 CD LYS A 128 -12.112 20.289 1.235 1.00 72.55 C ATOM 1845 CE LYS A 128 -12.127 20.547 -0.253 1.00 44.13 C ATOM 1846 NZ LYS A 128 -11.146 21.585 -0.636 1.00 71.23 N ATOM 0 H LYS A 128 -12.840 16.595 1.972 1.00 10.14 H new ATOM 0 HA LYS A 128 -13.195 17.420 4.638 1.00 62.10 H new ATOM 0 HB2 LYS A 128 -13.184 19.725 3.670 1.00 0.30 H new ATOM 0 HB3 LYS A 128 -11.783 18.730 3.322 1.00 0.30 H new ATOM 0 HG2 LYS A 128 -12.762 18.251 1.049 1.00 10.24 H new ATOM 0 HG3 LYS A 128 -14.050 19.382 1.411 1.00 10.24 H new ATOM 0 HD2 LYS A 128 -12.428 21.190 1.760 1.00 72.55 H new ATOM 0 HD3 LYS A 128 -11.092 20.076 1.554 1.00 72.55 H new ATOM 0 HE2 LYS A 128 -11.905 19.622 -0.785 1.00 44.13 H new ATOM 0 HE3 LYS A 128 -13.126 20.859 -0.559 1.00 44.13 H new ATOM 0 HZ1 LYS A 128 -11.184 21.736 -1.664 1.00 71.23 H new ATOM 0 HZ2 LYS A 128 -11.373 22.474 -0.147 1.00 71.23 H new ATOM 0 HZ3 LYS A 128 -10.190 21.276 -0.367 1.00 71.23 H new ATOM 1860 N ASP A 129 -15.930 17.117 3.193 1.00 22.01 N ATOM 1861 CA ASP A 129 -17.377 17.167 3.417 1.00 64.03 C ATOM 1862 C ASP A 129 -17.737 16.339 4.650 1.00 53.24 C ATOM 1863 O ASP A 129 -18.842 16.449 5.186 1.00 14.11 O ATOM 1864 CB ASP A 129 -18.160 16.643 2.207 1.00 73.01 C ATOM 1865 CG ASP A 129 -17.835 15.215 1.877 1.00 45.12 C ATOM 1866 OD1 ASP A 129 -16.944 14.994 1.057 1.00 73.35 O ATOM 1867 OD2 ASP A 129 -18.440 14.294 2.462 1.00 41.22 O ATOM 0 H ASP A 129 -15.642 16.457 2.470 1.00 22.01 H new ATOM 0 HA ASP A 129 -17.652 18.211 3.571 1.00 64.03 H new ATOM 0 HB2 ASP A 129 -19.228 16.731 2.406 1.00 73.01 H new ATOM 0 HB3 ASP A 129 -17.944 17.269 1.341 1.00 73.01 H new ATOM 1872 N GLY A 130 -16.799 15.519 5.104 1.00 51.32 N ATOM 1873 CA GLY A 130 -17.015 14.749 6.298 1.00 71.51 C ATOM 1874 C GLY A 130 -17.129 13.265 6.049 1.00 60.52 C ATOM 1875 O GLY A 130 -17.103 12.478 6.997 1.00 64.33 O ATOM 0 H GLY A 130 -15.892 15.378 4.660 1.00 51.32 H new ATOM 0 HA2 GLY A 130 -16.193 14.930 6.991 1.00 71.51 H new ATOM 0 HA3 GLY A 130 -17.925 15.098 6.785 1.00 71.51 H new ATOM 1879 N SER A 131 -17.256 12.860 4.805 1.00 73.04 N ATOM 1880 CA SER A 131 -17.279 11.465 4.510 1.00 1.33 C ATOM 1881 C SER A 131 -15.858 10.944 4.386 1.00 71.31 C ATOM 1882 O SER A 131 -14.901 11.705 4.369 1.00 55.13 O ATOM 1883 CB SER A 131 -18.090 11.176 3.242 1.00 3.25 C ATOM 1884 OG SER A 131 -17.601 11.905 2.120 1.00 10.42 O ATOM 0 H SER A 131 -17.343 13.477 3.997 1.00 73.04 H new ATOM 0 HA SER A 131 -17.773 10.943 5.330 1.00 1.33 H new ATOM 0 HB2 SER A 131 -18.055 10.109 3.024 1.00 3.25 H new ATOM 0 HB3 SER A 131 -19.135 11.432 3.414 1.00 3.25 H new ATOM 0 HG SER A 131 -18.149 12.707 1.987 1.00 10.42 H new ATOM 1890 N CYS A 132 -15.729 9.686 4.318 1.00 62.21 N ATOM 1891 CA CYS A 132 -14.445 9.048 4.179 1.00 42.33 C ATOM 1892 C CYS A 132 -14.575 7.937 3.186 1.00 15.35 C ATOM 1893 O CYS A 132 -15.612 7.265 3.146 1.00 41.21 O ATOM 1894 CB CYS A 132 -13.976 8.516 5.525 1.00 1.53 C ATOM 1895 SG CYS A 132 -15.192 7.455 6.334 1.00 52.04 S ATOM 0 H CYS A 132 -16.514 9.036 4.356 1.00 62.21 H new ATOM 0 HA CYS A 132 -13.704 9.766 3.828 1.00 42.33 H new ATOM 0 HB2 CYS A 132 -13.051 7.956 5.385 1.00 1.53 H new ATOM 0 HB3 CYS A 132 -13.744 9.356 6.180 1.00 1.53 H new ATOM 0 HG CYS A 132 -14.579 6.573 7.066 1.00 52.04 H new ATOM 1901 N TRP A 133 -13.579 7.739 2.378 1.00 23.53 N ATOM 1902 CA TRP A 133 -13.652 6.724 1.372 1.00 32.13 C ATOM 1903 C TRP A 133 -12.255 6.212 1.113 1.00 73.21 C ATOM 1904 O TRP A 133 -11.272 6.892 1.439 1.00 61.50 O ATOM 1905 CB TRP A 133 -14.280 7.308 0.097 1.00 52.34 C ATOM 1906 CG TRP A 133 -15.026 6.307 -0.731 1.00 64.44 C ATOM 1907 CD1 TRP A 133 -16.108 5.597 -0.332 1.00 31.35 C ATOM 1908 CD2 TRP A 133 -14.792 5.940 -2.096 1.00 11.10 C ATOM 1909 NE1 TRP A 133 -16.555 4.794 -1.344 1.00 30.20 N ATOM 1910 CE2 TRP A 133 -15.770 4.989 -2.443 1.00 10.33 C ATOM 1911 CE3 TRP A 133 -13.855 6.316 -3.057 1.00 33.42 C ATOM 1912 CZ2 TRP A 133 -15.838 4.412 -3.704 1.00 63.52 C ATOM 1913 CZ3 TRP A 133 -13.925 5.743 -4.307 1.00 54.44 C ATOM 1914 CH2 TRP A 133 -14.910 4.802 -4.619 1.00 14.43 C ATOM 0 H TRP A 133 -12.706 8.266 2.395 1.00 23.53 H new ATOM 0 HA TRP A 133 -14.279 5.895 1.701 1.00 32.13 H new ATOM 0 HB2 TRP A 133 -14.961 8.112 0.376 1.00 52.34 H new ATOM 0 HB3 TRP A 133 -13.493 7.753 -0.512 1.00 52.34 H new ATOM 0 HD1 TRP A 133 -16.555 5.657 0.649 1.00 31.35 H new ATOM 0 HE1 TRP A 133 -17.347 4.153 -1.287 1.00 30.20 H new ATOM 0 HE3 TRP A 133 -13.090 7.042 -2.826 1.00 33.42 H new ATOM 0 HZ2 TRP A 133 -16.597 3.683 -3.948 1.00 63.52 H new ATOM 0 HZ3 TRP A 133 -13.205 6.026 -5.061 1.00 54.44 H new ATOM 0 HH2 TRP A 133 -14.935 4.374 -5.610 1.00 14.43 H new ATOM 1925 N LEU A 134 -12.154 5.008 0.628 1.00 30.51 N ATOM 1926 CA LEU A 134 -10.882 4.426 0.299 1.00 54.34 C ATOM 1927 C LEU A 134 -10.328 5.078 -0.934 1.00 42.13 C ATOM 1928 O LEU A 134 -10.973 5.109 -1.977 1.00 13.23 O ATOM 1929 CB LEU A 134 -10.959 2.898 0.118 1.00 54.52 C ATOM 1930 CG LEU A 134 -11.023 2.040 1.397 1.00 61.35 C ATOM 1931 CD1 LEU A 134 -12.258 2.337 2.236 1.00 60.44 C ATOM 1932 CD2 LEU A 134 -10.957 0.567 1.033 1.00 63.11 C ATOM 0 H LEU A 134 -12.953 4.400 0.449 1.00 30.51 H new ATOM 0 HA LEU A 134 -10.212 4.606 1.140 1.00 54.34 H new ATOM 0 HB2 LEU A 134 -11.839 2.673 -0.484 1.00 54.52 H new ATOM 0 HB3 LEU A 134 -10.089 2.582 -0.458 1.00 54.52 H new ATOM 0 HG LEU A 134 -10.161 2.299 2.012 1.00 61.35 H new ATOM 0 HD11 LEU A 134 -12.254 1.706 3.125 1.00 60.44 H new ATOM 0 HD12 LEU A 134 -12.251 3.385 2.535 1.00 60.44 H new ATOM 0 HD13 LEU A 134 -13.154 2.133 1.650 1.00 60.44 H new ATOM 0 HD21 LEU A 134 -11.003 -0.035 1.941 1.00 63.11 H new ATOM 0 HD22 LEU A 134 -11.798 0.314 0.387 1.00 63.11 H new ATOM 0 HD23 LEU A 134 -10.023 0.363 0.509 1.00 63.11 H new ATOM 1944 N HIS A 135 -9.156 5.609 -0.796 1.00 4.53 N ATOM 1945 CA HIS A 135 -8.483 6.283 -1.858 1.00 21.15 C ATOM 1946 C HIS A 135 -7.962 5.261 -2.836 1.00 74.32 C ATOM 1947 O HIS A 135 -8.266 5.311 -4.026 1.00 51.40 O ATOM 1948 CB HIS A 135 -7.329 7.142 -1.278 1.00 3.33 C ATOM 1949 CG HIS A 135 -6.396 7.742 -2.293 1.00 52.53 C ATOM 1950 ND1 HIS A 135 -5.096 7.317 -2.467 1.00 63.11 N ATOM 1951 CD2 HIS A 135 -6.581 8.751 -3.176 1.00 54.50 C ATOM 1952 CE1 HIS A 135 -4.540 8.052 -3.417 1.00 15.31 C ATOM 1953 NE2 HIS A 135 -5.397 8.948 -3.890 1.00 62.44 N ATOM 0 H HIS A 135 -8.629 5.585 0.077 1.00 4.53 H new ATOM 0 HA HIS A 135 -9.171 6.947 -2.381 1.00 21.15 H new ATOM 0 HB2 HIS A 135 -7.762 7.949 -0.686 1.00 3.33 H new ATOM 0 HB3 HIS A 135 -6.746 6.523 -0.596 1.00 3.33 H new ATOM 0 HD2 HIS A 135 -7.495 9.312 -3.307 1.00 54.50 H new ATOM 0 HE1 HIS A 135 -3.523 7.938 -3.762 1.00 15.31 H new ATOM 0 HE2 HIS A 135 -5.226 9.637 -4.622 1.00 62.44 H new ATOM 1961 N SER A 136 -7.229 4.310 -2.308 1.00 41.01 N ATOM 1962 CA SER A 136 -6.566 3.309 -3.098 1.00 31.14 C ATOM 1963 C SER A 136 -5.833 2.426 -2.142 1.00 11.25 C ATOM 1964 O SER A 136 -5.585 2.828 -1.031 1.00 72.35 O ATOM 1965 CB SER A 136 -5.552 3.997 -4.057 1.00 43.32 C ATOM 1966 OG SER A 136 -4.814 3.066 -4.842 1.00 0.24 O ATOM 0 H SER A 136 -7.076 4.211 -1.304 1.00 41.01 H new ATOM 0 HA SER A 136 -7.276 2.738 -3.696 1.00 31.14 H new ATOM 0 HB2 SER A 136 -6.089 4.677 -4.718 1.00 43.32 H new ATOM 0 HB3 SER A 136 -4.859 4.602 -3.472 1.00 43.32 H new ATOM 0 HG SER A 136 -5.380 2.294 -5.052 1.00 0.24 H new ATOM 1972 N VAL A 137 -5.541 1.228 -2.516 1.00 51.12 N ATOM 1973 CA VAL A 137 -4.712 0.401 -1.685 1.00 32.13 C ATOM 1974 C VAL A 137 -3.668 -0.242 -2.577 1.00 3.31 C ATOM 1975 O VAL A 137 -3.922 -0.471 -3.760 1.00 51.12 O ATOM 1976 CB VAL A 137 -5.504 -0.682 -0.853 1.00 52.54 C ATOM 1977 CG1 VAL A 137 -6.703 -0.099 -0.117 1.00 42.05 C ATOM 1978 CG2 VAL A 137 -5.921 -1.854 -1.682 1.00 70.32 C ATOM 0 H VAL A 137 -5.857 0.795 -3.384 1.00 51.12 H new ATOM 0 HA VAL A 137 -4.250 1.033 -0.927 1.00 32.13 H new ATOM 0 HB VAL A 137 -4.797 -1.039 -0.104 1.00 52.54 H new ATOM 0 HG11 VAL A 137 -7.209 -0.889 0.438 1.00 42.05 H new ATOM 0 HG12 VAL A 137 -6.365 0.672 0.576 1.00 42.05 H new ATOM 0 HG13 VAL A 137 -7.394 0.339 -0.837 1.00 42.05 H new ATOM 0 HG21 VAL A 137 -6.461 -2.567 -1.059 1.00 70.32 H new ATOM 0 HG22 VAL A 137 -6.568 -1.516 -2.491 1.00 70.32 H new ATOM 0 HG23 VAL A 137 -5.038 -2.336 -2.101 1.00 70.32 H new ATOM 1988 N LYS A 138 -2.512 -0.465 -2.059 1.00 20.41 N ATOM 1989 CA LYS A 138 -1.455 -1.062 -2.815 1.00 65.05 C ATOM 1990 C LYS A 138 -0.931 -2.273 -2.097 1.00 31.11 C ATOM 1991 O LYS A 138 -0.638 -2.224 -0.912 1.00 61.23 O ATOM 1992 CB LYS A 138 -0.315 -0.055 -3.035 1.00 52.52 C ATOM 1993 CG LYS A 138 0.870 -0.616 -3.828 1.00 51.30 C ATOM 1994 CD LYS A 138 2.016 0.394 -4.073 1.00 64.11 C ATOM 1995 CE LYS A 138 2.731 0.854 -2.787 1.00 24.11 C ATOM 1996 NZ LYS A 138 1.975 1.863 -2.012 1.00 11.45 N ATOM 0 H LYS A 138 -2.266 -0.239 -1.095 1.00 20.41 H new ATOM 0 HA LYS A 138 -1.850 -1.362 -3.786 1.00 65.05 H new ATOM 0 HB2 LYS A 138 -0.710 0.816 -3.559 1.00 52.52 H new ATOM 0 HB3 LYS A 138 0.042 0.291 -2.065 1.00 52.52 H new ATOM 0 HG2 LYS A 138 1.271 -1.479 -3.296 1.00 51.30 H new ATOM 0 HG3 LYS A 138 0.508 -0.976 -4.791 1.00 51.30 H new ATOM 0 HD2 LYS A 138 2.748 -0.058 -4.742 1.00 64.11 H new ATOM 0 HD3 LYS A 138 1.613 1.268 -4.585 1.00 64.11 H new ATOM 0 HE2 LYS A 138 2.914 -0.014 -2.154 1.00 24.11 H new ATOM 0 HE3 LYS A 138 3.704 1.267 -3.051 1.00 24.11 H new ATOM 0 HZ1 LYS A 138 2.467 2.778 -2.060 1.00 11.45 H new ATOM 0 HZ2 LYS A 138 1.020 1.963 -2.411 1.00 11.45 H new ATOM 0 HZ3 LYS A 138 1.906 1.558 -1.020 1.00 11.45 H new ATOM 2010 N PHE A 139 -0.820 -3.333 -2.807 1.00 44.25 N ATOM 2011 CA PHE A 139 -0.261 -4.543 -2.305 1.00 3.23 C ATOM 2012 C PHE A 139 1.052 -4.753 -2.976 1.00 32.53 C ATOM 2013 O PHE A 139 1.172 -4.546 -4.181 1.00 61.03 O ATOM 2014 CB PHE A 139 -1.183 -5.722 -2.580 1.00 13.14 C ATOM 2015 CG PHE A 139 -2.492 -5.593 -1.891 1.00 11.55 C ATOM 2016 CD1 PHE A 139 -2.568 -5.774 -0.538 1.00 23.40 C ATOM 2017 CD2 PHE A 139 -3.636 -5.274 -2.586 1.00 40.14 C ATOM 2018 CE1 PHE A 139 -3.757 -5.644 0.129 1.00 54.13 C ATOM 2019 CE2 PHE A 139 -4.836 -5.145 -1.927 1.00 24.32 C ATOM 2020 CZ PHE A 139 -4.898 -5.328 -0.563 1.00 72.22 C ATOM 0 H PHE A 139 -1.122 -3.390 -3.780 1.00 44.25 H new ATOM 0 HA PHE A 139 -0.133 -4.470 -1.225 1.00 3.23 H new ATOM 0 HB2 PHE A 139 -1.348 -5.807 -3.654 1.00 13.14 H new ATOM 0 HB3 PHE A 139 -0.696 -6.643 -2.259 1.00 13.14 H new ATOM 0 HD1 PHE A 139 -1.674 -6.024 0.015 1.00 23.40 H new ATOM 0 HD2 PHE A 139 -3.591 -5.124 -3.655 1.00 40.14 H new ATOM 0 HE1 PHE A 139 -3.796 -5.790 1.198 1.00 54.13 H new ATOM 0 HE2 PHE A 139 -5.731 -4.900 -2.479 1.00 24.32 H new ATOM 0 HZ PHE A 139 -5.838 -5.223 -0.042 1.00 72.22 H new ATOM 2030 N ILE A 140 2.030 -5.122 -2.233 1.00 10.34 N ATOM 2031 CA ILE A 140 3.339 -5.334 -2.769 1.00 32.23 C ATOM 2032 C ILE A 140 3.867 -6.639 -2.256 1.00 23.52 C ATOM 2033 O ILE A 140 4.267 -6.760 -1.099 1.00 63.41 O ATOM 2034 CB ILE A 140 4.320 -4.144 -2.485 1.00 61.44 C ATOM 2035 CG1 ILE A 140 4.270 -3.692 -1.013 1.00 72.24 C ATOM 2036 CG2 ILE A 140 4.063 -2.978 -3.437 1.00 34.21 C ATOM 2037 CD1 ILE A 140 5.251 -2.587 -0.662 1.00 70.24 C ATOM 0 H ILE A 140 1.953 -5.288 -1.230 1.00 10.34 H new ATOM 0 HA ILE A 140 3.263 -5.378 -3.855 1.00 32.23 H new ATOM 0 HB ILE A 140 5.331 -4.509 -2.670 1.00 61.44 H new ATOM 0 HG12 ILE A 140 3.260 -3.351 -0.785 1.00 72.24 H new ATOM 0 HG13 ILE A 140 4.468 -4.553 -0.374 1.00 72.24 H new ATOM 0 HG21 ILE A 140 4.758 -2.168 -3.216 1.00 34.21 H new ATOM 0 HG22 ILE A 140 4.207 -3.309 -4.465 1.00 34.21 H new ATOM 0 HG23 ILE A 140 3.040 -2.623 -3.310 1.00 34.21 H new ATOM 0 HD11 ILE A 140 5.148 -2.331 0.392 1.00 70.24 H new ATOM 0 HD12 ILE A 140 6.268 -2.929 -0.855 1.00 70.24 H new ATOM 0 HD13 ILE A 140 5.042 -1.708 -1.271 1.00 70.24 H new ATOM 2049 N MET A 141 3.824 -7.631 -3.088 1.00 72.31 N ATOM 2050 CA MET A 141 4.165 -8.949 -2.645 1.00 3.22 C ATOM 2051 C MET A 141 5.616 -9.262 -2.847 1.00 63.04 C ATOM 2052 O MET A 141 6.214 -8.911 -3.872 1.00 43.45 O ATOM 2053 CB MET A 141 3.258 -10.019 -3.268 1.00 71.03 C ATOM 2054 CG MET A 141 3.384 -10.185 -4.772 1.00 53.53 C ATOM 2055 SD MET A 141 2.212 -11.389 -5.437 1.00 4.35 S ATOM 2056 CE MET A 141 0.650 -10.598 -5.040 1.00 44.14 C ATOM 0 H MET A 141 3.559 -7.557 -4.070 1.00 72.31 H new ATOM 0 HA MET A 141 3.989 -8.967 -1.570 1.00 3.22 H new ATOM 0 HB2 MET A 141 3.476 -10.976 -2.794 1.00 71.03 H new ATOM 0 HB3 MET A 141 2.222 -9.775 -3.032 1.00 71.03 H new ATOM 0 HG2 MET A 141 3.223 -9.221 -5.255 1.00 53.53 H new ATOM 0 HG3 MET A 141 4.399 -10.498 -5.016 1.00 53.53 H new ATOM 0 HE1 MET A 141 -0.067 -10.787 -5.839 1.00 44.14 H new ATOM 0 HE2 MET A 141 0.265 -11.002 -4.104 1.00 44.14 H new ATOM 0 HE3 MET A 141 0.802 -9.524 -4.936 1.00 44.14 H new ATOM 2066 N SER A 142 6.156 -9.895 -1.841 1.00 74.33 N ATOM 2067 CA SER A 142 7.510 -10.359 -1.780 1.00 52.24 C ATOM 2068 C SER A 142 8.553 -9.256 -1.927 1.00 11.10 C ATOM 2069 O SER A 142 9.105 -9.014 -3.004 1.00 70.41 O ATOM 2070 CB SER A 142 7.726 -11.526 -2.732 1.00 21.45 C ATOM 2071 OG SER A 142 6.796 -12.567 -2.425 1.00 61.01 O ATOM 0 H SER A 142 5.630 -10.112 -0.995 1.00 74.33 H new ATOM 0 HA SER A 142 7.668 -10.730 -0.767 1.00 52.24 H new ATOM 0 HB2 SER A 142 7.594 -11.198 -3.763 1.00 21.45 H new ATOM 0 HB3 SER A 142 8.747 -11.898 -2.644 1.00 21.45 H new ATOM 0 HG SER A 142 6.932 -13.319 -3.038 1.00 61.01 H new ATOM 2077 N LYS A 143 8.742 -8.547 -0.854 1.00 23.31 N ATOM 2078 CA LYS A 143 9.775 -7.549 -0.738 1.00 54.33 C ATOM 2079 C LYS A 143 10.815 -8.047 0.235 1.00 60.24 C ATOM 2080 O LYS A 143 10.476 -8.697 1.233 1.00 45.42 O ATOM 2081 CB LYS A 143 9.217 -6.168 -0.309 1.00 72.50 C ATOM 2082 CG LYS A 143 8.845 -5.241 -1.471 1.00 24.14 C ATOM 2083 CD LYS A 143 7.749 -5.802 -2.358 1.00 74.34 C ATOM 2084 CE LYS A 143 7.468 -4.878 -3.537 1.00 5.02 C ATOM 2085 NZ LYS A 143 8.604 -4.773 -4.473 1.00 45.42 N ATOM 0 H LYS A 143 8.172 -8.645 -0.014 1.00 23.31 H new ATOM 0 HA LYS A 143 10.227 -7.396 -1.718 1.00 54.33 H new ATOM 0 HB2 LYS A 143 8.334 -6.324 0.311 1.00 72.50 H new ATOM 0 HB3 LYS A 143 9.959 -5.668 0.314 1.00 72.50 H new ATOM 0 HG2 LYS A 143 8.523 -4.280 -1.071 1.00 24.14 H new ATOM 0 HG3 LYS A 143 9.732 -5.054 -2.076 1.00 24.14 H new ATOM 0 HD2 LYS A 143 8.042 -6.786 -2.725 1.00 74.34 H new ATOM 0 HD3 LYS A 143 6.839 -5.938 -1.774 1.00 74.34 H new ATOM 0 HE2 LYS A 143 6.593 -5.242 -4.076 1.00 5.02 H new ATOM 0 HE3 LYS A 143 7.221 -3.885 -3.162 1.00 5.02 H new ATOM 0 HZ1 LYS A 143 8.292 -4.303 -5.347 1.00 45.42 H new ATOM 0 HZ2 LYS A 143 9.365 -4.217 -4.034 1.00 45.42 H new ATOM 0 HZ3 LYS A 143 8.957 -5.725 -4.699 1.00 45.42 H new