USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 857 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 32 GLN : amide:sc= 0.011 X(o=0.021,f=-0.15) USER MOD Set 1.2: A 88 SER OG : rot 180:sc= 0.00995 USER MOD Single : A 1 MET CE :methyl 152:sc= -0.0218 (180deg=-0.716) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -150:sc= -0.935 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 152:sc= 1.53 (180deg=0.129) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 43:sc= 0.0223 USER MOD Single : A 18 TYR OH : rot 109:sc= 0.403 USER MOD Single : A 21 GLN :FLIP amide:sc= -0.533 F(o=-2,f=-0.53) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0956 K(o=-0.096,f=-3.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -137:sc= -0.0815 (180deg=-0.851) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.639 K(o=-0.64,f=-6.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -171:sc= -0.065 (180deg=-0.319) USER MOD Single : A 46 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.8!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 8:sc= 0.595 USER MOD Single : A 51 GLN : amide:sc= -0.242 K(o=-0.24,f=-6.6!) USER MOD Single : A 53 HIS : no HD1:sc= 1.07 K(o=1.1,f=-3.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -4.14! C(o=-4.1!,f=-5.4!) USER MOD Single : A 71 LYS NZ :NH3+ -149:sc= -0.944 (180deg=-2.56!) USER MOD Single : A 72 THR OG1 : rot 80:sc= 1.16 USER MOD Single : A 75 THR OG1 : rot 86:sc= 0.764 USER MOD Single : A 76 GLN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 77 THR OG1 : rot 178:sc= -0.164 USER MOD Single : A 78 LYS NZ :NH3+ 172:sc= -0.0213 (180deg=-0.12) USER MOD Single : A 85 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.04) USER MOD Single : A 98 SER OG : rot -26:sc= 0.167 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.042 0.368 0.687 1.00 43.02 N ATOM 2 CA MET A 1 -11.003 0.281 -0.353 1.00 70.43 C ATOM 3 C MET A 1 -10.686 -1.199 -0.649 1.00 2.23 C ATOM 4 O MET A 1 -10.193 -1.919 0.224 1.00 34.41 O ATOM 5 CB MET A 1 -9.718 1.045 0.086 1.00 64.33 C ATOM 6 CG MET A 1 -8.593 1.068 -0.972 1.00 53.22 C ATOM 7 SD MET A 1 -7.160 2.049 -0.472 1.00 31.43 S ATOM 8 CE MET A 1 -6.578 1.153 0.968 1.00 20.54 C ATOM 0 H1 MET A 1 -12.253 1.367 0.884 1.00 43.02 H new ATOM 0 H2 MET A 1 -12.905 -0.110 0.357 1.00 43.02 H new ATOM 0 H3 MET A 1 -11.703 -0.092 1.556 1.00 43.02 H new ATOM 0 HA MET A 1 -11.375 0.750 -1.264 1.00 70.43 H new ATOM 0 HB2 MET A 1 -9.988 2.072 0.333 1.00 64.33 H new ATOM 0 HB3 MET A 1 -9.333 0.588 0.998 1.00 64.33 H new ATOM 0 HG2 MET A 1 -8.272 0.046 -1.173 1.00 53.22 H new ATOM 0 HG3 MET A 1 -8.990 1.467 -1.905 1.00 53.22 H new ATOM 0 HE1 MET A 1 -5.504 1.301 1.079 1.00 20.54 H new ATOM 0 HE2 MET A 1 -7.089 1.522 1.857 1.00 20.54 H new ATOM 0 HE3 MET A 1 -6.786 0.090 0.844 1.00 20.54 H new ATOM 20 N THR A 2 -11.012 -1.634 -1.881 1.00 23.25 N ATOM 21 CA THR A 2 -10.673 -2.971 -2.411 1.00 74.14 C ATOM 22 C THR A 2 -9.279 -2.934 -3.066 1.00 22.12 C ATOM 23 O THR A 2 -8.619 -1.892 -3.053 1.00 4.01 O ATOM 24 CB THR A 2 -11.729 -3.419 -3.474 1.00 35.32 C ATOM 25 OG1 THR A 2 -11.740 -2.481 -4.565 1.00 73.13 O ATOM 26 CG2 THR A 2 -13.141 -3.511 -2.884 1.00 13.51 C ATOM 0 H THR A 2 -11.526 -1.058 -2.547 1.00 23.25 H new ATOM 0 HA THR A 2 -10.673 -3.682 -1.585 1.00 74.14 H new ATOM 0 HB THR A 2 -11.442 -4.412 -3.820 1.00 35.32 H new ATOM 0 HG1 THR A 2 -12.637 -2.449 -4.959 1.00 73.13 H new ATOM 0 HG21 THR A 2 -13.840 -3.826 -3.659 1.00 13.51 H new ATOM 0 HG22 THR A 2 -13.149 -4.238 -2.072 1.00 13.51 H new ATOM 0 HG23 THR A 2 -13.440 -2.535 -2.501 1.00 13.51 H new ATOM 34 N GLY A 3 -8.839 -4.080 -3.628 1.00 40.43 N ATOM 35 CA GLY A 3 -7.612 -4.142 -4.432 1.00 21.41 C ATOM 36 C GLY A 3 -7.730 -3.365 -5.732 1.00 40.22 C ATOM 37 O GLY A 3 -6.727 -2.916 -6.299 1.00 25.22 O ATOM 0 H GLY A 3 -9.321 -4.974 -3.536 1.00 40.43 H new ATOM 0 HA2 GLY A 3 -6.780 -3.746 -3.850 1.00 21.41 H new ATOM 0 HA3 GLY A 3 -7.379 -5.183 -4.654 1.00 21.41 H new ATOM 41 N GLN A 4 -8.981 -3.235 -6.207 1.00 41.03 N ATOM 42 CA GLN A 4 -9.347 -2.379 -7.338 1.00 14.10 C ATOM 43 C GLN A 4 -9.064 -0.902 -6.976 1.00 31.50 C ATOM 44 O GLN A 4 -8.317 -0.217 -7.677 1.00 61.11 O ATOM 45 CB GLN A 4 -10.852 -2.590 -7.671 1.00 15.31 C ATOM 46 CG GLN A 4 -11.411 -1.679 -8.777 1.00 15.32 C ATOM 47 CD GLN A 4 -12.903 -1.888 -9.032 1.00 14.35 C ATOM 48 OE1 GLN A 4 -13.298 -2.705 -9.860 1.00 51.35 O ATOM 49 NE2 GLN A 4 -13.742 -1.159 -8.310 1.00 2.14 N ATOM 0 H GLN A 4 -9.776 -3.732 -5.806 1.00 41.03 H new ATOM 0 HA GLN A 4 -8.755 -2.639 -8.215 1.00 14.10 H new ATOM 0 HB2 GLN A 4 -11.000 -3.628 -7.968 1.00 15.31 H new ATOM 0 HB3 GLN A 4 -11.434 -2.432 -6.763 1.00 15.31 H new ATOM 0 HG2 GLN A 4 -11.238 -0.638 -8.503 1.00 15.32 H new ATOM 0 HG3 GLN A 4 -10.862 -1.861 -9.701 1.00 15.32 H new ATOM 0 HE21 GLN A 4 -13.381 -0.489 -7.631 1.00 2.14 H new ATOM 0 HE22 GLN A 4 -14.749 -1.268 -8.434 1.00 2.14 H new ATOM 58 N GLU A 5 -9.643 -0.455 -5.836 1.00 63.14 N ATOM 59 CA GLU A 5 -9.528 0.936 -5.334 1.00 31.33 C ATOM 60 C GLU A 5 -8.094 1.264 -4.867 1.00 34.00 C ATOM 61 O GLU A 5 -7.680 2.427 -4.905 1.00 1.34 O ATOM 62 CB GLU A 5 -10.532 1.165 -4.172 1.00 61.42 C ATOM 63 CG GLU A 5 -12.010 1.047 -4.581 1.00 55.04 C ATOM 64 CD GLU A 5 -12.963 1.093 -3.382 1.00 63.24 C ATOM 65 OE1 GLU A 5 -13.237 2.196 -2.860 1.00 44.55 O ATOM 66 OE2 GLU A 5 -13.393 0.014 -2.924 1.00 54.43 O ATOM 0 H GLU A 5 -10.208 -1.054 -5.234 1.00 63.14 H new ATOM 0 HA GLU A 5 -9.766 1.606 -6.160 1.00 31.33 H new ATOM 0 HB2 GLU A 5 -10.327 0.442 -3.382 1.00 61.42 H new ATOM 0 HB3 GLU A 5 -10.362 2.155 -3.750 1.00 61.42 H new ATOM 0 HG2 GLU A 5 -12.258 1.856 -5.268 1.00 55.04 H new ATOM 0 HG3 GLU A 5 -12.159 0.113 -5.122 1.00 55.04 H new ATOM 73 N LEU A 6 -7.353 0.226 -4.429 1.00 43.33 N ATOM 74 CA LEU A 6 -5.960 0.367 -3.970 1.00 51.52 C ATOM 75 C LEU A 6 -5.051 0.636 -5.176 1.00 32.20 C ATOM 76 O LEU A 6 -4.197 1.518 -5.123 1.00 64.14 O ATOM 77 CB LEU A 6 -5.506 -0.902 -3.200 1.00 23.32 C ATOM 78 CG LEU A 6 -4.043 -0.901 -2.633 1.00 70.30 C ATOM 79 CD1 LEU A 6 -3.804 0.262 -1.642 1.00 24.31 C ATOM 80 CD2 LEU A 6 -3.708 -2.259 -1.989 1.00 24.22 C ATOM 0 H LEU A 6 -7.704 -0.731 -4.384 1.00 43.33 H new ATOM 0 HA LEU A 6 -5.891 1.210 -3.283 1.00 51.52 H new ATOM 0 HB2 LEU A 6 -6.193 -1.058 -2.368 1.00 23.32 H new ATOM 0 HB3 LEU A 6 -5.612 -1.759 -3.865 1.00 23.32 H new ATOM 0 HG LEU A 6 -3.368 -0.744 -3.474 1.00 70.30 H new ATOM 0 HD11 LEU A 6 -2.778 0.223 -1.275 1.00 24.31 H new ATOM 0 HD12 LEU A 6 -3.972 1.212 -2.149 1.00 24.31 H new ATOM 0 HD13 LEU A 6 -4.493 0.172 -0.802 1.00 24.31 H new ATOM 0 HD21 LEU A 6 -2.689 -2.237 -1.602 1.00 24.22 H new ATOM 0 HD22 LEU A 6 -4.402 -2.455 -1.172 1.00 24.22 H new ATOM 0 HD23 LEU A 6 -3.795 -3.048 -2.736 1.00 24.22 H new ATOM 92 N ARG A 7 -5.277 -0.127 -6.269 1.00 74.12 N ATOM 93 CA ARG A 7 -4.552 0.044 -7.542 1.00 50.11 C ATOM 94 C ARG A 7 -4.830 1.437 -8.134 1.00 22.21 C ATOM 95 O ARG A 7 -3.915 2.116 -8.615 1.00 65.41 O ATOM 96 CB ARG A 7 -4.971 -1.053 -8.544 1.00 54.41 C ATOM 97 CG ARG A 7 -4.111 -1.117 -9.829 1.00 71.21 C ATOM 98 CD ARG A 7 -4.476 -2.317 -10.712 1.00 64.33 C ATOM 99 NE ARG A 7 -3.665 -2.368 -11.934 1.00 62.22 N ATOM 100 CZ ARG A 7 -3.419 -3.473 -12.652 1.00 20.11 C ATOM 101 NH1 ARG A 7 -3.903 -4.651 -12.273 1.00 12.32 N ATOM 102 NH2 ARG A 7 -2.709 -3.381 -13.764 1.00 71.33 N ATOM 0 H ARG A 7 -5.967 -0.878 -6.290 1.00 74.12 H new ATOM 0 HA ARG A 7 -3.483 -0.045 -7.349 1.00 50.11 H new ATOM 0 HB2 ARG A 7 -4.925 -2.020 -8.043 1.00 54.41 H new ATOM 0 HB3 ARG A 7 -6.011 -0.890 -8.827 1.00 54.41 H new ATOM 0 HG2 ARG A 7 -4.242 -0.196 -10.398 1.00 71.21 H new ATOM 0 HG3 ARG A 7 -3.057 -1.176 -9.556 1.00 71.21 H new ATOM 0 HD2 ARG A 7 -4.338 -3.238 -10.146 1.00 64.33 H new ATOM 0 HD3 ARG A 7 -5.531 -2.263 -10.979 1.00 64.33 H new ATOM 0 HE ARG A 7 -3.256 -1.493 -12.263 1.00 62.22 H new ATOM 0 HH11 ARG A 7 -4.469 -4.722 -11.427 1.00 12.32 H new ATOM 0 HH12 ARG A 7 -3.709 -5.485 -12.828 1.00 12.32 H new ATOM 0 HH21 ARG A 7 -2.354 -2.475 -14.069 1.00 71.33 H new ATOM 0 HH22 ARG A 7 -2.517 -4.216 -14.317 1.00 71.33 H new ATOM 116 N GLN A 8 -6.115 1.841 -8.068 1.00 53.14 N ATOM 117 CA GLN A 8 -6.580 3.173 -8.485 1.00 63.23 C ATOM 118 C GLN A 8 -5.873 4.272 -7.673 1.00 15.21 C ATOM 119 O GLN A 8 -5.466 5.267 -8.235 1.00 2.21 O ATOM 120 CB GLN A 8 -8.123 3.284 -8.319 1.00 24.44 C ATOM 121 CG GLN A 8 -8.947 2.460 -9.328 1.00 35.40 C ATOM 122 CD GLN A 8 -8.914 3.038 -10.747 1.00 74.22 C ATOM 123 OE1 GLN A 8 -9.748 3.871 -11.108 1.00 21.12 O ATOM 124 NE2 GLN A 8 -7.959 2.609 -11.559 1.00 23.14 N ATOM 0 H GLN A 8 -6.864 1.243 -7.720 1.00 53.14 H new ATOM 0 HA GLN A 8 -6.332 3.310 -9.538 1.00 63.23 H new ATOM 0 HB2 GLN A 8 -8.389 2.967 -7.311 1.00 24.44 H new ATOM 0 HB3 GLN A 8 -8.409 4.332 -8.409 1.00 24.44 H new ATOM 0 HG2 GLN A 8 -8.567 1.438 -9.350 1.00 35.40 H new ATOM 0 HG3 GLN A 8 -9.981 2.409 -8.987 1.00 35.40 H new ATOM 0 HE21 GLN A 8 -7.283 1.919 -11.232 1.00 23.14 H new ATOM 0 HE22 GLN A 8 -7.900 2.969 -12.512 1.00 23.14 H new ATOM 133 N LEU A 9 -5.693 4.052 -6.359 1.00 24.03 N ATOM 134 CA LEU A 9 -5.029 5.027 -5.461 1.00 72.34 C ATOM 135 C LEU A 9 -3.561 5.287 -5.894 1.00 14.12 C ATOM 136 O LEU A 9 -3.034 6.387 -5.702 1.00 25.52 O ATOM 137 CB LEU A 9 -5.104 4.519 -3.998 1.00 23.35 C ATOM 138 CG LEU A 9 -4.531 5.460 -2.885 1.00 51.25 C ATOM 139 CD1 LEU A 9 -5.200 6.855 -2.911 1.00 41.41 C ATOM 140 CD2 LEU A 9 -4.665 4.802 -1.498 1.00 24.42 C ATOM 0 H LEU A 9 -5.999 3.201 -5.887 1.00 24.03 H new ATOM 0 HA LEU A 9 -5.553 5.980 -5.530 1.00 72.34 H new ATOM 0 HB2 LEU A 9 -6.149 4.316 -3.764 1.00 23.35 H new ATOM 0 HB3 LEU A 9 -4.574 3.568 -3.943 1.00 23.35 H new ATOM 0 HG LEU A 9 -3.471 5.611 -3.092 1.00 51.25 H new ATOM 0 HD11 LEU A 9 -4.775 7.477 -2.124 1.00 41.41 H new ATOM 0 HD12 LEU A 9 -5.025 7.324 -3.879 1.00 41.41 H new ATOM 0 HD13 LEU A 9 -6.272 6.747 -2.749 1.00 41.41 H new ATOM 0 HD21 LEU A 9 -4.262 5.471 -0.738 1.00 24.42 H new ATOM 0 HD22 LEU A 9 -5.717 4.606 -1.288 1.00 24.42 H new ATOM 0 HD23 LEU A 9 -4.112 3.863 -1.486 1.00 24.42 H new ATOM 152 N LEU A 10 -2.929 4.267 -6.506 1.00 32.13 N ATOM 153 CA LEU A 10 -1.539 4.345 -7.004 1.00 45.11 C ATOM 154 C LEU A 10 -1.488 5.078 -8.370 1.00 64.40 C ATOM 155 O LEU A 10 -0.526 5.800 -8.669 1.00 61.30 O ATOM 156 CB LEU A 10 -0.966 2.907 -7.147 1.00 22.03 C ATOM 157 CG LEU A 10 -1.163 1.967 -5.916 1.00 51.42 C ATOM 158 CD1 LEU A 10 -0.744 0.530 -6.234 1.00 1.42 C ATOM 159 CD2 LEU A 10 -0.438 2.499 -4.662 1.00 30.35 C ATOM 0 H LEU A 10 -3.369 3.361 -6.670 1.00 32.13 H new ATOM 0 HA LEU A 10 -0.937 4.910 -6.293 1.00 45.11 H new ATOM 0 HB2 LEU A 10 -1.428 2.438 -8.015 1.00 22.03 H new ATOM 0 HB3 LEU A 10 0.101 2.981 -7.355 1.00 22.03 H new ATOM 0 HG LEU A 10 -2.229 1.958 -5.691 1.00 51.42 H new ATOM 0 HD11 LEU A 10 -0.895 -0.096 -5.355 1.00 1.42 H new ATOM 0 HD12 LEU A 10 -1.347 0.149 -7.058 1.00 1.42 H new ATOM 0 HD13 LEU A 10 0.309 0.512 -6.516 1.00 1.42 H new ATOM 0 HD21 LEU A 10 -0.601 1.815 -3.829 1.00 30.35 H new ATOM 0 HD22 LEU A 10 0.630 2.576 -4.864 1.00 30.35 H new ATOM 0 HD23 LEU A 10 -0.830 3.483 -4.405 1.00 30.35 H new ATOM 171 N LEU A 11 -2.542 4.871 -9.186 1.00 5.02 N ATOM 172 CA LEU A 11 -2.659 5.440 -10.549 1.00 74.03 C ATOM 173 C LEU A 11 -3.054 6.933 -10.500 1.00 10.55 C ATOM 174 O LEU A 11 -2.402 7.780 -11.120 1.00 70.41 O ATOM 175 CB LEU A 11 -3.701 4.630 -11.365 1.00 64.54 C ATOM 176 CG LEU A 11 -3.350 3.134 -11.643 1.00 62.13 C ATOM 177 CD1 LEU A 11 -4.542 2.380 -12.269 1.00 43.12 C ATOM 178 CD2 LEU A 11 -2.091 3.015 -12.528 1.00 31.51 C ATOM 0 H LEU A 11 -3.343 4.300 -8.917 1.00 5.02 H new ATOM 0 HA LEU A 11 -1.687 5.371 -11.037 1.00 74.03 H new ATOM 0 HB2 LEU A 11 -4.653 4.665 -10.835 1.00 64.54 H new ATOM 0 HB3 LEU A 11 -3.850 5.130 -12.322 1.00 64.54 H new ATOM 0 HG LEU A 11 -3.133 2.664 -10.684 1.00 62.13 H new ATOM 0 HD11 LEU A 11 -4.262 1.342 -12.449 1.00 43.12 H new ATOM 0 HD12 LEU A 11 -5.392 2.414 -11.588 1.00 43.12 H new ATOM 0 HD13 LEU A 11 -4.815 2.851 -13.213 1.00 43.12 H new ATOM 0 HD21 LEU A 11 -1.869 1.963 -12.706 1.00 31.51 H new ATOM 0 HD22 LEU A 11 -2.267 3.515 -13.481 1.00 31.51 H new ATOM 0 HD23 LEU A 11 -1.246 3.484 -12.023 1.00 31.51 H new ATOM 190 N ASP A 12 -4.146 7.229 -9.773 1.00 51.51 N ATOM 191 CA ASP A 12 -4.642 8.606 -9.525 1.00 22.34 C ATOM 192 C ASP A 12 -3.558 9.508 -8.919 1.00 65.40 C ATOM 193 O ASP A 12 -3.494 10.701 -9.245 1.00 33.13 O ATOM 194 CB ASP A 12 -5.896 8.588 -8.597 1.00 43.31 C ATOM 195 CG ASP A 12 -7.172 8.103 -9.310 1.00 4.01 C ATOM 196 OD1 ASP A 12 -7.298 6.894 -9.577 1.00 24.12 O ATOM 197 OD2 ASP A 12 -8.055 8.928 -9.624 1.00 34.34 O ATOM 0 H ASP A 12 -4.722 6.512 -9.332 1.00 51.51 H new ATOM 0 HA ASP A 12 -4.921 9.020 -10.494 1.00 22.34 H new ATOM 0 HB2 ASP A 12 -5.698 7.942 -7.742 1.00 43.31 H new ATOM 0 HB3 ASP A 12 -6.065 9.591 -8.206 1.00 43.31 H new ATOM 202 N LYS A 13 -2.714 8.937 -8.043 1.00 45.45 N ATOM 203 CA LYS A 13 -1.641 9.687 -7.379 1.00 14.41 C ATOM 204 C LYS A 13 -0.405 9.822 -8.292 1.00 54.42 C ATOM 205 O LYS A 13 -0.055 10.928 -8.725 1.00 74.40 O ATOM 206 CB LYS A 13 -1.244 8.998 -6.047 1.00 21.45 C ATOM 207 CG LYS A 13 -0.177 9.764 -5.236 1.00 75.21 C ATOM 208 CD LYS A 13 -0.688 11.130 -4.723 1.00 4.22 C ATOM 209 CE LYS A 13 0.429 11.999 -4.142 1.00 64.34 C ATOM 210 NZ LYS A 13 -0.113 13.222 -3.503 1.00 4.23 N ATOM 0 H LYS A 13 -2.757 7.953 -7.779 1.00 45.45 H new ATOM 0 HA LYS A 13 -2.017 10.687 -7.165 1.00 14.41 H new ATOM 0 HB2 LYS A 13 -2.136 8.878 -5.432 1.00 21.45 H new ATOM 0 HB3 LYS A 13 -0.871 7.997 -6.265 1.00 21.45 H new ATOM 0 HG2 LYS A 13 0.136 9.155 -4.388 1.00 75.21 H new ATOM 0 HG3 LYS A 13 0.704 9.920 -5.858 1.00 75.21 H new ATOM 0 HD2 LYS A 13 -1.169 11.664 -5.542 1.00 4.22 H new ATOM 0 HD3 LYS A 13 -1.449 10.965 -3.960 1.00 4.22 H new ATOM 0 HE2 LYS A 13 0.995 11.424 -3.409 1.00 64.34 H new ATOM 0 HE3 LYS A 13 1.124 12.278 -4.934 1.00 64.34 H new ATOM 0 HZ1 LYS A 13 0.529 13.532 -2.746 1.00 4.23 H new ATOM 0 HZ2 LYS A 13 -0.200 13.976 -4.214 1.00 4.23 H new ATOM 0 HZ3 LYS A 13 -1.050 13.017 -3.100 1.00 4.23 H new ATOM 224 N TRP A 14 0.238 8.679 -8.591 1.00 65.01 N ATOM 225 CA TRP A 14 1.566 8.636 -9.247 1.00 65.02 C ATOM 226 C TRP A 14 1.467 8.306 -10.745 1.00 71.32 C ATOM 227 O TRP A 14 2.266 8.806 -11.543 1.00 10.30 O ATOM 228 CB TRP A 14 2.460 7.605 -8.522 1.00 64.02 C ATOM 229 CG TRP A 14 2.726 7.932 -7.062 1.00 53.53 C ATOM 230 CD1 TRP A 14 3.352 9.046 -6.581 1.00 73.03 C ATOM 231 CD2 TRP A 14 2.393 7.140 -5.904 1.00 70.00 C ATOM 232 NE1 TRP A 14 3.426 8.999 -5.212 1.00 53.22 N ATOM 233 CE2 TRP A 14 2.849 7.842 -4.772 1.00 34.32 C ATOM 234 CE3 TRP A 14 1.757 5.914 -5.711 1.00 24.34 C ATOM 235 CZ2 TRP A 14 2.689 7.366 -3.474 1.00 45.34 C ATOM 236 CZ3 TRP A 14 1.604 5.439 -4.420 1.00 25.13 C ATOM 237 CH2 TRP A 14 2.071 6.164 -3.317 1.00 4.21 C ATOM 0 H TRP A 14 -0.145 7.756 -8.386 1.00 65.01 H new ATOM 0 HA TRP A 14 2.011 9.629 -9.174 1.00 65.02 H new ATOM 0 HB2 TRP A 14 1.988 6.624 -8.583 1.00 64.02 H new ATOM 0 HB3 TRP A 14 3.413 7.534 -9.047 1.00 64.02 H new ATOM 0 HD1 TRP A 14 3.735 9.850 -7.192 1.00 73.03 H new ATOM 0 HE1 TRP A 14 3.845 9.714 -4.618 1.00 53.22 H new ATOM 0 HE3 TRP A 14 1.391 5.346 -6.553 1.00 24.34 H new ATOM 0 HZ2 TRP A 14 3.042 7.930 -2.623 1.00 45.34 H new ATOM 0 HZ3 TRP A 14 1.114 4.490 -4.260 1.00 25.13 H new ATOM 0 HH2 TRP A 14 1.938 5.762 -2.323 1.00 4.21 H new ATOM 248 N GLY A 15 0.488 7.469 -11.118 1.00 34.00 N ATOM 249 CA GLY A 15 0.300 7.056 -12.523 1.00 12.04 C ATOM 250 C GLY A 15 0.893 5.695 -12.839 1.00 45.12 C ATOM 251 O GLY A 15 1.022 5.331 -14.014 1.00 3.52 O ATOM 0 H GLY A 15 -0.187 7.063 -10.470 1.00 34.00 H new ATOM 0 HA2 GLY A 15 -0.766 7.040 -12.749 1.00 12.04 H new ATOM 0 HA3 GLY A 15 0.753 7.802 -13.176 1.00 12.04 H new ATOM 255 N TYR A 16 1.255 4.937 -11.787 1.00 71.41 N ATOM 256 CA TYR A 16 1.839 3.587 -11.923 1.00 74.40 C ATOM 257 C TYR A 16 1.183 2.637 -10.920 1.00 1.01 C ATOM 258 O TYR A 16 0.903 3.027 -9.786 1.00 32.44 O ATOM 259 CB TYR A 16 3.368 3.602 -11.684 1.00 51.13 C ATOM 260 CG TYR A 16 4.154 4.500 -12.648 1.00 45.32 C ATOM 261 CD1 TYR A 16 4.420 4.083 -13.952 1.00 23.43 C ATOM 262 CD2 TYR A 16 4.612 5.762 -12.257 1.00 34.42 C ATOM 263 CE1 TYR A 16 5.114 4.891 -14.828 1.00 70.02 C ATOM 264 CE2 TYR A 16 5.305 6.572 -13.131 1.00 74.44 C ATOM 265 CZ TYR A 16 5.556 6.131 -14.416 1.00 24.32 C ATOM 266 OH TYR A 16 6.254 6.934 -15.295 1.00 70.41 O ATOM 0 H TYR A 16 1.151 5.242 -10.819 1.00 71.41 H new ATOM 0 HA TYR A 16 1.654 3.246 -12.942 1.00 74.40 H new ATOM 0 HB2 TYR A 16 3.560 3.931 -10.663 1.00 51.13 H new ATOM 0 HB3 TYR A 16 3.746 2.583 -11.767 1.00 51.13 H new ATOM 0 HD1 TYR A 16 4.077 3.113 -14.281 1.00 23.43 H new ATOM 0 HD2 TYR A 16 4.419 6.108 -11.252 1.00 34.42 H new ATOM 0 HE1 TYR A 16 5.311 4.554 -15.835 1.00 70.02 H new ATOM 0 HE2 TYR A 16 5.649 7.545 -12.813 1.00 74.44 H new ATOM 0 HH TYR A 16 6.493 7.774 -14.851 1.00 70.41 H new ATOM 276 N SER A 17 0.947 1.400 -11.356 1.00 73.15 N ATOM 277 CA SER A 17 0.367 0.342 -10.528 1.00 70.44 C ATOM 278 C SER A 17 1.478 -0.323 -9.677 1.00 11.44 C ATOM 279 O SER A 17 1.977 -1.403 -10.016 1.00 24.33 O ATOM 280 CB SER A 17 -0.354 -0.677 -11.453 1.00 62.54 C ATOM 281 OG SER A 17 0.497 -1.105 -12.510 1.00 62.44 O ATOM 0 H SER A 17 1.156 1.100 -12.308 1.00 73.15 H new ATOM 0 HA SER A 17 -0.368 0.752 -9.835 1.00 70.44 H new ATOM 0 HB2 SER A 17 -0.674 -1.540 -10.868 1.00 62.54 H new ATOM 0 HB3 SER A 17 -1.253 -0.222 -11.868 1.00 62.54 H new ATOM 0 HG SER A 17 1.394 -1.282 -12.157 1.00 62.44 H new ATOM 287 N TYR A 18 1.866 0.352 -8.574 1.00 11.02 N ATOM 288 CA TYR A 18 2.973 -0.092 -7.695 1.00 0.22 C ATOM 289 C TYR A 18 2.607 -1.326 -6.853 1.00 42.21 C ATOM 290 O TYR A 18 1.439 -1.602 -6.589 1.00 14.31 O ATOM 291 CB TYR A 18 3.415 1.053 -6.752 1.00 73.23 C ATOM 292 CG TYR A 18 4.120 2.217 -7.450 1.00 42.15 C ATOM 293 CD1 TYR A 18 5.450 2.102 -7.866 1.00 21.31 C ATOM 294 CD2 TYR A 18 3.478 3.429 -7.674 1.00 64.22 C ATOM 295 CE1 TYR A 18 6.106 3.152 -8.471 1.00 53.35 C ATOM 296 CE2 TYR A 18 4.129 4.475 -8.282 1.00 50.35 C ATOM 297 CZ TYR A 18 5.441 4.337 -8.679 1.00 42.23 C ATOM 298 OH TYR A 18 6.091 5.390 -9.282 1.00 1.23 O ATOM 0 H TYR A 18 1.423 1.218 -8.267 1.00 11.02 H new ATOM 0 HA TYR A 18 3.794 -0.370 -8.356 1.00 0.22 H new ATOM 0 HB2 TYR A 18 2.537 1.437 -6.232 1.00 73.23 H new ATOM 0 HB3 TYR A 18 4.082 0.644 -5.993 1.00 73.23 H new ATOM 0 HD1 TYR A 18 5.974 1.171 -7.710 1.00 21.31 H new ATOM 0 HD2 TYR A 18 2.450 3.551 -7.365 1.00 64.22 H new ATOM 0 HE1 TYR A 18 7.135 3.045 -8.780 1.00 53.35 H new ATOM 0 HE2 TYR A 18 3.611 5.408 -8.449 1.00 50.35 H new ATOM 0 HH TYR A 18 5.734 5.521 -10.185 1.00 1.23 H new ATOM 308 N ASP A 19 3.641 -2.055 -6.434 1.00 64.32 N ATOM 309 CA ASP A 19 3.532 -3.102 -5.420 1.00 63.44 C ATOM 310 C ASP A 19 3.495 -2.425 -4.049 1.00 64.01 C ATOM 311 O ASP A 19 4.168 -1.408 -3.835 1.00 52.01 O ATOM 312 CB ASP A 19 4.735 -4.079 -5.502 1.00 2.43 C ATOM 313 CG ASP A 19 4.657 -5.218 -4.464 1.00 31.40 C ATOM 314 OD1 ASP A 19 3.831 -6.139 -4.639 1.00 35.15 O ATOM 315 OD2 ASP A 19 5.394 -5.187 -3.451 1.00 64.34 O ATOM 0 H ASP A 19 4.588 -1.933 -6.793 1.00 64.32 H new ATOM 0 HA ASP A 19 2.625 -3.684 -5.585 1.00 63.44 H new ATOM 0 HB2 ASP A 19 4.780 -4.509 -6.503 1.00 2.43 H new ATOM 0 HB3 ASP A 19 5.660 -3.522 -5.353 1.00 2.43 H new ATOM 320 N VAL A 20 2.692 -2.977 -3.143 1.00 53.41 N ATOM 321 CA VAL A 20 2.567 -2.498 -1.758 1.00 5.40 C ATOM 322 C VAL A 20 2.970 -3.640 -0.803 1.00 60.44 C ATOM 323 O VAL A 20 2.419 -4.740 -0.863 1.00 42.21 O ATOM 324 CB VAL A 20 1.098 -1.981 -1.468 1.00 73.24 C ATOM 325 CG1 VAL A 20 0.854 -0.600 -2.132 1.00 33.44 C ATOM 326 CG2 VAL A 20 0.033 -3.007 -1.942 1.00 2.35 C ATOM 0 H VAL A 20 2.099 -3.781 -3.347 1.00 53.41 H new ATOM 0 HA VAL A 20 3.233 -1.650 -1.598 1.00 5.40 H new ATOM 0 HB VAL A 20 0.999 -1.867 -0.389 1.00 73.24 H new ATOM 0 HG11 VAL A 20 -0.162 -0.268 -1.918 1.00 33.44 H new ATOM 0 HG12 VAL A 20 1.564 0.125 -1.735 1.00 33.44 H new ATOM 0 HG13 VAL A 20 0.988 -0.686 -3.210 1.00 33.44 H new ATOM 0 HG21 VAL A 20 -0.964 -2.622 -1.728 1.00 2.35 H new ATOM 0 HG22 VAL A 20 0.137 -3.170 -3.015 1.00 2.35 H new ATOM 0 HG23 VAL A 20 0.178 -3.951 -1.416 1.00 2.35 H new ATOM 336 N GLN A 21 3.926 -3.363 0.092 1.00 51.42 N ATOM 337 CA GLN A 21 4.574 -4.377 0.945 1.00 64.43 C ATOM 338 C GLN A 21 4.411 -3.996 2.420 1.00 53.45 C ATOM 339 O GLN A 21 4.757 -2.887 2.811 1.00 54.42 O ATOM 340 CB GLN A 21 6.080 -4.479 0.562 1.00 41.33 C ATOM 341 CG GLN A 21 6.917 -5.427 1.450 1.00 13.10 C ATOM 342 CD GLN A 21 8.394 -5.552 1.045 1.00 20.01 C ATOM 343 OE1 GLN A 21 8.683 -5.537 -0.252 1.00 1.12 O flip ATOM 344 NE2 GLN A 21 9.267 -5.718 1.900 1.00 75.11 N flip ATOM 0 H GLN A 21 4.278 -2.419 0.249 1.00 51.42 H new ATOM 0 HA GLN A 21 4.104 -5.348 0.791 1.00 64.43 H new ATOM 0 HB2 GLN A 21 6.154 -4.815 -0.472 1.00 41.33 H new ATOM 0 HB3 GLN A 21 6.519 -3.482 0.606 1.00 41.33 H new ATOM 0 HG2 GLN A 21 6.866 -5.076 2.481 1.00 13.10 H new ATOM 0 HG3 GLN A 21 6.463 -6.418 1.428 1.00 13.10 H new ATOM 0 HE21 GLN A 21 9.017 -5.725 2.889 1.00 75.11 H new ATOM 0 HE22 GLN A 21 10.239 -5.848 1.618 1.00 75.11 H new ATOM 353 N PHE A 22 3.869 -4.926 3.226 1.00 14.34 N ATOM 354 CA PHE A 22 3.748 -4.766 4.685 1.00 21.22 C ATOM 355 C PHE A 22 5.141 -4.823 5.345 1.00 12.21 C ATOM 356 O PHE A 22 6.050 -5.495 4.839 1.00 5.14 O ATOM 357 CB PHE A 22 2.834 -5.870 5.270 1.00 54.44 C ATOM 358 CG PHE A 22 1.359 -5.732 4.890 1.00 23.34 C ATOM 359 CD1 PHE A 22 0.593 -4.681 5.398 1.00 64.41 C ATOM 360 CD2 PHE A 22 0.732 -6.657 4.053 1.00 11.14 C ATOM 361 CE1 PHE A 22 -0.740 -4.556 5.081 1.00 41.43 C ATOM 362 CE2 PHE A 22 -0.601 -6.526 3.738 1.00 51.41 C ATOM 363 CZ PHE A 22 -1.337 -5.476 4.254 1.00 31.11 C ATOM 0 H PHE A 22 3.501 -5.813 2.882 1.00 14.34 H new ATOM 0 HA PHE A 22 3.301 -3.794 4.894 1.00 21.22 H new ATOM 0 HB2 PHE A 22 3.195 -6.841 4.932 1.00 54.44 H new ATOM 0 HB3 PHE A 22 2.920 -5.859 6.357 1.00 54.44 H new ATOM 0 HD1 PHE A 22 1.054 -3.954 6.050 1.00 64.41 H new ATOM 0 HD2 PHE A 22 1.299 -7.483 3.649 1.00 11.14 H new ATOM 0 HE1 PHE A 22 -1.316 -3.735 5.482 1.00 41.43 H new ATOM 0 HE2 PHE A 22 -1.073 -7.246 3.086 1.00 51.41 H new ATOM 0 HZ PHE A 22 -2.384 -5.379 4.006 1.00 31.11 H new ATOM 373 N ARG A 23 5.294 -4.115 6.470 1.00 20.14 N ATOM 374 CA ARG A 23 6.531 -4.111 7.263 1.00 54.23 C ATOM 375 C ARG A 23 6.174 -4.075 8.754 1.00 22.44 C ATOM 376 O ARG A 23 5.601 -3.096 9.239 1.00 53.21 O ATOM 377 CB ARG A 23 7.443 -2.909 6.886 1.00 24.41 C ATOM 378 CG ARG A 23 8.832 -2.934 7.579 1.00 33.54 C ATOM 379 CD ARG A 23 9.659 -4.182 7.198 1.00 11.04 C ATOM 380 NE ARG A 23 10.897 -4.295 7.996 1.00 12.30 N ATOM 381 CZ ARG A 23 11.715 -5.361 8.003 1.00 71.33 C ATOM 382 NH1 ARG A 23 11.452 -6.432 7.257 1.00 30.12 N ATOM 383 NH2 ARG A 23 12.794 -5.350 8.767 1.00 11.42 N ATOM 0 H ARG A 23 4.559 -3.525 6.859 1.00 20.14 H new ATOM 0 HA ARG A 23 7.091 -5.021 7.045 1.00 54.23 H new ATOM 0 HB2 ARG A 23 7.587 -2.899 5.806 1.00 24.41 H new ATOM 0 HB3 ARG A 23 6.933 -1.982 7.148 1.00 24.41 H new ATOM 0 HG2 ARG A 23 9.387 -2.037 7.306 1.00 33.54 H new ATOM 0 HG3 ARG A 23 8.696 -2.908 8.660 1.00 33.54 H new ATOM 0 HD2 ARG A 23 9.052 -5.076 7.343 1.00 11.04 H new ATOM 0 HD3 ARG A 23 9.914 -4.138 6.139 1.00 11.04 H new ATOM 0 HE ARG A 23 11.150 -3.503 8.587 1.00 12.30 H new ATOM 0 HH11 ARG A 23 10.619 -6.452 6.669 1.00 30.12 H new ATOM 0 HH12 ARG A 23 12.083 -7.233 7.274 1.00 30.12 H new ATOM 0 HH21 ARG A 23 13.001 -4.536 9.346 1.00 11.42 H new ATOM 0 HH22 ARG A 23 13.420 -6.156 8.778 1.00 11.42 H new ATOM 397 N ARG A 24 6.514 -5.157 9.469 1.00 2.34 N ATOM 398 CA ARG A 24 6.202 -5.325 10.896 1.00 54.50 C ATOM 399 C ARG A 24 7.487 -5.180 11.724 1.00 13.42 C ATOM 400 O ARG A 24 8.386 -6.024 11.650 1.00 11.12 O ATOM 401 CB ARG A 24 5.520 -6.695 11.153 1.00 75.20 C ATOM 402 CG ARG A 24 4.110 -6.821 10.524 1.00 14.34 C ATOM 403 CD ARG A 24 3.432 -8.169 10.823 1.00 24.31 C ATOM 404 NE ARG A 24 4.146 -9.295 10.195 1.00 45.14 N ATOM 405 CZ ARG A 24 4.014 -10.587 10.540 1.00 1.24 C ATOM 406 NH1 ARG A 24 3.190 -10.957 11.519 1.00 31.45 N ATOM 407 NH2 ARG A 24 4.720 -11.500 9.892 1.00 72.24 N ATOM 0 H ARG A 24 7.018 -5.948 9.069 1.00 2.34 H new ATOM 0 HA ARG A 24 5.500 -4.549 11.202 1.00 54.50 H new ATOM 0 HB2 ARG A 24 6.156 -7.487 10.757 1.00 75.20 H new ATOM 0 HB3 ARG A 24 5.443 -6.856 12.228 1.00 75.20 H new ATOM 0 HG2 ARG A 24 3.479 -6.014 10.897 1.00 14.34 H new ATOM 0 HG3 ARG A 24 4.188 -6.692 9.444 1.00 14.34 H new ATOM 0 HD2 ARG A 24 3.389 -8.322 11.901 1.00 24.31 H new ATOM 0 HD3 ARG A 24 2.403 -8.146 10.463 1.00 24.31 H new ATOM 0 HE ARG A 24 4.793 -9.076 9.437 1.00 45.14 H new ATOM 0 HH11 ARG A 24 2.646 -10.255 12.021 1.00 31.45 H new ATOM 0 HH12 ARG A 24 3.103 -11.943 11.767 1.00 31.45 H new ATOM 0 HH21 ARG A 24 5.353 -11.219 9.143 1.00 72.24 H new ATOM 0 HH22 ARG A 24 4.631 -12.485 10.142 1.00 72.24 H new ATOM 421 N THR A 25 7.567 -4.075 12.472 1.00 51.10 N ATOM 422 CA THR A 25 8.694 -3.755 13.353 1.00 5.44 C ATOM 423 C THR A 25 8.164 -3.039 14.603 1.00 44.34 C ATOM 424 O THR A 25 7.224 -2.235 14.497 1.00 43.50 O ATOM 425 CB THR A 25 9.771 -2.884 12.619 1.00 34.43 C ATOM 426 OG1 THR A 25 10.886 -2.642 13.494 1.00 70.55 O ATOM 427 CG2 THR A 25 9.210 -1.544 12.110 1.00 72.43 C ATOM 0 H THR A 25 6.836 -3.364 12.482 1.00 51.10 H new ATOM 0 HA THR A 25 9.187 -4.682 13.647 1.00 5.44 H new ATOM 0 HB THR A 25 10.094 -3.450 11.745 1.00 34.43 H new ATOM 0 HG1 THR A 25 11.556 -2.099 13.028 1.00 70.55 H new ATOM 0 HG21 THR A 25 10.001 -0.984 11.611 1.00 72.43 H new ATOM 0 HG22 THR A 25 8.399 -1.733 11.406 1.00 72.43 H new ATOM 0 HG23 THR A 25 8.832 -0.965 12.952 1.00 72.43 H new ATOM 435 N GLN A 26 8.739 -3.383 15.785 1.00 52.42 N ATOM 436 CA GLN A 26 8.306 -2.877 17.112 1.00 34.34 C ATOM 437 C GLN A 26 6.867 -3.350 17.445 1.00 64.11 C ATOM 438 O GLN A 26 6.193 -2.764 18.300 1.00 51.43 O ATOM 439 CB GLN A 26 8.424 -1.315 17.194 1.00 44.52 C ATOM 440 CG GLN A 26 9.835 -0.735 16.912 1.00 20.31 C ATOM 441 CD GLN A 26 10.870 -0.956 18.030 1.00 52.12 C ATOM 442 OE1 GLN A 26 10.817 -1.930 18.780 1.00 15.13 O ATOM 443 NE2 GLN A 26 11.832 -0.046 18.145 1.00 33.22 N ATOM 0 H GLN A 26 9.527 -4.028 15.842 1.00 52.42 H new ATOM 0 HA GLN A 26 8.977 -3.296 17.862 1.00 34.34 H new ATOM 0 HB2 GLN A 26 7.722 -0.878 16.484 1.00 44.52 H new ATOM 0 HB3 GLN A 26 8.112 -0.996 18.188 1.00 44.52 H new ATOM 0 HG2 GLN A 26 10.216 -1.180 15.993 1.00 20.31 H new ATOM 0 HG3 GLN A 26 9.741 0.336 16.732 1.00 20.31 H new ATOM 0 HE21 GLN A 26 11.856 0.753 17.512 1.00 33.22 H new ATOM 0 HE22 GLN A 26 12.546 -0.147 18.866 1.00 33.22 H new ATOM 452 N GLY A 27 6.416 -4.424 16.758 1.00 53.12 N ATOM 453 CA GLY A 27 5.044 -4.937 16.891 1.00 34.42 C ATOM 454 C GLY A 27 4.009 -4.109 16.125 1.00 31.43 C ATOM 455 O GLY A 27 2.807 -4.389 16.197 1.00 21.32 O ATOM 0 H GLY A 27 6.992 -4.952 16.102 1.00 53.12 H new ATOM 0 HA2 GLY A 27 5.012 -5.966 16.533 1.00 34.42 H new ATOM 0 HA3 GLY A 27 4.773 -4.958 17.946 1.00 34.42 H new ATOM 459 N LYS A 28 4.487 -3.087 15.390 1.00 64.35 N ATOM 460 CA LYS A 28 3.648 -2.147 14.617 1.00 40.24 C ATOM 461 C LYS A 28 3.703 -2.507 13.127 1.00 63.41 C ATOM 462 O LYS A 28 4.639 -3.179 12.686 1.00 4.33 O ATOM 463 CB LYS A 28 4.169 -0.706 14.832 1.00 10.30 C ATOM 464 CG LYS A 28 4.267 -0.292 16.320 1.00 53.40 C ATOM 465 CD LYS A 28 5.069 1.014 16.531 1.00 52.24 C ATOM 466 CE LYS A 28 5.214 1.377 18.017 1.00 70.01 C ATOM 467 NZ LYS A 28 6.103 2.547 18.221 1.00 23.15 N ATOM 0 H LYS A 28 5.484 -2.887 15.314 1.00 64.35 H new ATOM 0 HA LYS A 28 2.615 -2.214 14.957 1.00 40.24 H new ATOM 0 HB2 LYS A 28 5.153 -0.614 14.373 1.00 10.30 H new ATOM 0 HB3 LYS A 28 3.509 -0.010 14.314 1.00 10.30 H new ATOM 0 HG2 LYS A 28 3.262 -0.164 16.723 1.00 53.40 H new ATOM 0 HG3 LYS A 28 4.737 -1.096 16.885 1.00 53.40 H new ATOM 0 HD2 LYS A 28 6.059 0.905 16.088 1.00 52.24 H new ATOM 0 HD3 LYS A 28 4.573 1.831 16.007 1.00 52.24 H new ATOM 0 HE2 LYS A 28 4.231 1.592 18.435 1.00 70.01 H new ATOM 0 HE3 LYS A 28 5.611 0.521 18.562 1.00 70.01 H new ATOM 0 HZ1 LYS A 28 6.173 2.757 19.237 1.00 23.15 H new ATOM 0 HZ2 LYS A 28 7.049 2.334 17.846 1.00 23.15 H new ATOM 0 HZ3 LYS A 28 5.711 3.372 17.723 1.00 23.15 H new ATOM 481 N ILE A 29 2.719 -2.024 12.354 1.00 45.25 N ATOM 482 CA ILE A 29 2.605 -2.328 10.916 1.00 52.54 C ATOM 483 C ILE A 29 2.719 -1.028 10.077 1.00 61.10 C ATOM 484 O ILE A 29 2.129 0.010 10.407 1.00 24.24 O ATOM 485 CB ILE A 29 1.272 -3.122 10.606 1.00 14.41 C ATOM 486 CG1 ILE A 29 1.162 -3.493 9.088 1.00 70.01 C ATOM 487 CG2 ILE A 29 0.023 -2.352 11.094 1.00 52.02 C ATOM 488 CD1 ILE A 29 2.300 -4.348 8.564 1.00 72.53 C ATOM 0 H ILE A 29 1.981 -1.413 12.705 1.00 45.25 H new ATOM 0 HA ILE A 29 3.433 -2.977 10.630 1.00 52.54 H new ATOM 0 HB ILE A 29 1.315 -4.056 11.166 1.00 14.41 H new ATOM 0 HG12 ILE A 29 0.223 -4.021 8.923 1.00 70.01 H new ATOM 0 HG13 ILE A 29 1.117 -2.573 8.505 1.00 70.01 H new ATOM 0 HG21 ILE A 29 -0.873 -2.929 10.864 1.00 52.02 H new ATOM 0 HG22 ILE A 29 0.088 -2.198 12.171 1.00 52.02 H new ATOM 0 HG23 ILE A 29 -0.028 -1.386 10.592 1.00 52.02 H new ATOM 0 HD11 ILE A 29 2.141 -4.556 7.506 1.00 72.53 H new ATOM 0 HD12 ILE A 29 3.243 -3.817 8.692 1.00 72.53 H new ATOM 0 HD13 ILE A 29 2.334 -5.287 9.117 1.00 72.53 H new ATOM 500 N PHE A 30 3.536 -1.106 9.015 1.00 54.23 N ATOM 501 CA PHE A 30 3.815 -0.006 8.079 1.00 74.00 C ATOM 502 C PHE A 30 3.650 -0.551 6.651 1.00 5.42 C ATOM 503 O PHE A 30 4.319 -1.527 6.296 1.00 1.15 O ATOM 504 CB PHE A 30 5.273 0.523 8.265 1.00 3.53 C ATOM 505 CG PHE A 30 5.600 1.036 9.675 1.00 41.23 C ATOM 506 CD1 PHE A 30 5.988 0.157 10.694 1.00 23.32 C ATOM 507 CD2 PHE A 30 5.513 2.394 9.982 1.00 45.44 C ATOM 508 CE1 PHE A 30 6.273 0.619 11.962 1.00 53.31 C ATOM 509 CE2 PHE A 30 5.800 2.855 11.255 1.00 14.00 C ATOM 510 CZ PHE A 30 6.179 1.968 12.246 1.00 24.42 C ATOM 0 H PHE A 30 4.036 -1.963 8.777 1.00 54.23 H new ATOM 0 HA PHE A 30 3.128 0.819 8.266 1.00 74.00 H new ATOM 0 HB2 PHE A 30 5.969 -0.278 8.015 1.00 3.53 H new ATOM 0 HB3 PHE A 30 5.445 1.329 7.552 1.00 3.53 H new ATOM 0 HD1 PHE A 30 6.065 -0.899 10.484 1.00 23.32 H new ATOM 0 HD2 PHE A 30 5.218 3.095 9.216 1.00 45.44 H new ATOM 0 HE1 PHE A 30 6.570 -0.075 12.734 1.00 53.31 H new ATOM 0 HE2 PHE A 30 5.728 3.910 11.475 1.00 14.00 H new ATOM 0 HZ PHE A 30 6.401 2.329 13.239 1.00 24.42 H new ATOM 520 N LEU A 31 2.776 0.060 5.828 1.00 4.22 N ATOM 521 CA LEU A 31 2.601 -0.356 4.427 1.00 13.53 C ATOM 522 C LEU A 31 3.573 0.442 3.542 1.00 23.12 C ATOM 523 O LEU A 31 3.306 1.588 3.178 1.00 12.10 O ATOM 524 CB LEU A 31 1.141 -0.171 3.934 1.00 10.42 C ATOM 525 CG LEU A 31 0.858 -0.716 2.487 1.00 20.43 C ATOM 526 CD1 LEU A 31 1.021 -2.251 2.428 1.00 22.23 C ATOM 527 CD2 LEU A 31 -0.521 -0.274 1.967 1.00 21.21 C ATOM 0 H LEU A 31 2.183 0.841 6.110 1.00 4.22 H new ATOM 0 HA LEU A 31 2.821 -1.421 4.359 1.00 13.53 H new ATOM 0 HB2 LEU A 31 0.471 -0.671 4.633 1.00 10.42 H new ATOM 0 HB3 LEU A 31 0.895 0.891 3.961 1.00 10.42 H new ATOM 0 HG LEU A 31 1.603 -0.277 1.823 1.00 20.43 H new ATOM 0 HD11 LEU A 31 0.819 -2.600 1.415 1.00 22.23 H new ATOM 0 HD12 LEU A 31 2.040 -2.520 2.708 1.00 22.23 H new ATOM 0 HD13 LEU A 31 0.319 -2.718 3.119 1.00 22.23 H new ATOM 0 HD21 LEU A 31 -0.676 -0.672 0.964 1.00 21.21 H new ATOM 0 HD22 LEU A 31 -1.298 -0.651 2.632 1.00 21.21 H new ATOM 0 HD23 LEU A 31 -0.566 0.815 1.936 1.00 21.21 H new ATOM 539 N GLN A 32 4.710 -0.171 3.224 1.00 40.12 N ATOM 540 CA GLN A 32 5.759 0.436 2.403 1.00 53.52 C ATOM 541 C GLN A 32 5.491 0.169 0.914 1.00 54.30 C ATOM 542 O GLN A 32 5.699 -0.951 0.425 1.00 54.42 O ATOM 543 CB GLN A 32 7.146 -0.100 2.841 1.00 11.44 C ATOM 544 CG GLN A 32 7.482 0.209 4.316 1.00 10.23 C ATOM 545 CD GLN A 32 8.893 -0.197 4.740 1.00 33.24 C ATOM 546 OE1 GLN A 32 9.445 -1.179 4.252 1.00 31.24 O ATOM 547 NE2 GLN A 32 9.490 0.566 5.648 1.00 53.35 N ATOM 0 H GLN A 32 4.934 -1.117 3.533 1.00 40.12 H new ATOM 0 HA GLN A 32 5.755 1.516 2.548 1.00 53.52 H new ATOM 0 HB2 GLN A 32 7.176 -1.179 2.687 1.00 11.44 H new ATOM 0 HB3 GLN A 32 7.914 0.335 2.202 1.00 11.44 H new ATOM 0 HG2 GLN A 32 7.357 1.278 4.488 1.00 10.23 H new ATOM 0 HG3 GLN A 32 6.762 -0.303 4.955 1.00 10.23 H new ATOM 0 HE21 GLN A 32 9.003 1.375 6.034 1.00 53.35 H new ATOM 0 HE22 GLN A 32 10.435 0.343 5.960 1.00 53.35 H new ATOM 556 N VAL A 33 4.971 1.199 0.226 1.00 64.03 N ATOM 557 CA VAL A 33 4.739 1.169 -1.222 1.00 63.34 C ATOM 558 C VAL A 33 6.093 1.111 -1.951 1.00 23.44 C ATOM 559 O VAL A 33 6.900 2.049 -1.867 1.00 12.02 O ATOM 560 CB VAL A 33 3.928 2.424 -1.714 1.00 3.15 C ATOM 561 CG1 VAL A 33 3.636 2.358 -3.238 1.00 54.31 C ATOM 562 CG2 VAL A 33 2.618 2.605 -0.902 1.00 23.44 C ATOM 0 H VAL A 33 4.699 2.079 0.664 1.00 64.03 H new ATOM 0 HA VAL A 33 4.146 0.283 -1.450 1.00 63.34 H new ATOM 0 HB VAL A 33 4.553 3.299 -1.538 1.00 3.15 H new ATOM 0 HG11 VAL A 33 3.074 3.242 -3.539 1.00 54.31 H new ATOM 0 HG12 VAL A 33 4.577 2.321 -3.787 1.00 54.31 H new ATOM 0 HG13 VAL A 33 3.052 1.465 -3.458 1.00 54.31 H new ATOM 0 HG21 VAL A 33 2.082 3.481 -1.267 1.00 23.44 H new ATOM 0 HG22 VAL A 33 1.992 1.721 -1.020 1.00 23.44 H new ATOM 0 HG23 VAL A 33 2.859 2.741 0.152 1.00 23.44 H new ATOM 572 N MET A 34 6.334 -0.018 -2.624 1.00 11.40 N ATOM 573 CA MET A 34 7.569 -0.291 -3.368 1.00 0.32 C ATOM 574 C MET A 34 7.668 0.582 -4.629 1.00 22.33 C ATOM 575 O MET A 34 6.657 1.039 -5.167 1.00 74.53 O ATOM 576 CB MET A 34 7.617 -1.792 -3.760 1.00 1.15 C ATOM 577 CG MET A 34 7.544 -2.791 -2.584 1.00 61.14 C ATOM 578 SD MET A 34 9.081 -2.921 -1.634 1.00 4.40 S ATOM 579 CE MET A 34 8.909 -1.675 -0.361 1.00 31.32 C ATOM 0 H MET A 34 5.662 -0.784 -2.668 1.00 11.40 H new ATOM 0 HA MET A 34 8.416 -0.049 -2.726 1.00 0.32 H new ATOM 0 HB2 MET A 34 6.791 -1.998 -4.440 1.00 1.15 H new ATOM 0 HB3 MET A 34 8.538 -1.976 -4.313 1.00 1.15 H new ATOM 0 HG2 MET A 34 6.739 -2.490 -1.914 1.00 61.14 H new ATOM 0 HG3 MET A 34 7.284 -3.776 -2.972 1.00 61.14 H new ATOM 0 HE1 MET A 34 9.850 -1.135 -0.251 1.00 31.32 H new ATOM 0 HE2 MET A 34 8.120 -0.976 -0.640 1.00 31.32 H new ATOM 0 HE3 MET A 34 8.652 -2.153 0.584 1.00 31.32 H new ATOM 589 N TRP A 35 8.911 0.779 -5.088 1.00 4.14 N ATOM 590 CA TRP A 35 9.238 1.501 -6.339 1.00 62.44 C ATOM 591 C TRP A 35 8.981 0.630 -7.587 1.00 23.23 C ATOM 592 O TRP A 35 9.049 1.116 -8.726 1.00 60.24 O ATOM 593 CB TRP A 35 10.706 2.004 -6.282 1.00 31.11 C ATOM 594 CG TRP A 35 11.729 0.952 -5.873 1.00 63.50 C ATOM 595 CD1 TRP A 35 12.454 0.130 -6.694 1.00 3.10 C ATOM 596 CD2 TRP A 35 12.145 0.629 -4.524 1.00 22.24 C ATOM 597 NE1 TRP A 35 13.286 -0.667 -5.950 1.00 31.52 N ATOM 598 CE2 TRP A 35 13.113 -0.382 -4.618 1.00 41.14 C ATOM 599 CE3 TRP A 35 11.784 1.099 -3.253 1.00 44.44 C ATOM 600 CZ2 TRP A 35 13.725 -0.932 -3.497 1.00 43.21 C ATOM 601 CZ3 TRP A 35 12.398 0.557 -2.140 1.00 75.21 C ATOM 602 CH2 TRP A 35 13.361 -0.452 -2.270 1.00 10.24 C ATOM 0 H TRP A 35 9.737 0.438 -4.596 1.00 4.14 H new ATOM 0 HA TRP A 35 8.577 2.363 -6.425 1.00 62.44 H new ATOM 0 HB2 TRP A 35 10.979 2.394 -7.262 1.00 31.11 H new ATOM 0 HB3 TRP A 35 10.762 2.837 -5.581 1.00 31.11 H new ATOM 0 HD1 TRP A 35 12.381 0.112 -7.771 1.00 3.10 H new ATOM 0 HE1 TRP A 35 13.931 -1.362 -6.327 1.00 31.52 H new ATOM 0 HE3 TRP A 35 11.038 1.872 -3.146 1.00 44.44 H new ATOM 0 HZ2 TRP A 35 14.464 -1.713 -3.593 1.00 43.21 H new ATOM 0 HZ3 TRP A 35 12.132 0.916 -1.157 1.00 75.21 H new ATOM 0 HH2 TRP A 35 13.825 -0.859 -1.383 1.00 10.24 H new ATOM 613 N LYS A 36 8.680 -0.655 -7.343 1.00 25.55 N ATOM 614 CA LYS A 36 8.349 -1.637 -8.381 1.00 55.44 C ATOM 615 C LYS A 36 6.873 -1.465 -8.773 1.00 64.24 C ATOM 616 O LYS A 36 6.030 -1.286 -7.898 1.00 55.24 O ATOM 617 CB LYS A 36 8.602 -3.066 -7.834 1.00 71.22 C ATOM 618 CG LYS A 36 9.976 -3.229 -7.142 1.00 63.13 C ATOM 619 CD LYS A 36 10.072 -4.513 -6.291 1.00 70.53 C ATOM 620 CE LYS A 36 11.341 -4.553 -5.426 1.00 64.50 C ATOM 621 NZ LYS A 36 11.329 -5.691 -4.471 1.00 73.21 N ATOM 0 H LYS A 36 8.660 -1.045 -6.401 1.00 25.55 H new ATOM 0 HA LYS A 36 8.974 -1.484 -9.261 1.00 55.44 H new ATOM 0 HB2 LYS A 36 7.815 -3.319 -7.124 1.00 71.22 H new ATOM 0 HB3 LYS A 36 8.531 -3.779 -8.656 1.00 71.22 H new ATOM 0 HG2 LYS A 36 10.759 -3.242 -7.900 1.00 63.13 H new ATOM 0 HG3 LYS A 36 10.162 -2.363 -6.506 1.00 63.13 H new ATOM 0 HD2 LYS A 36 9.195 -4.585 -5.647 1.00 70.53 H new ATOM 0 HD3 LYS A 36 10.057 -5.382 -6.948 1.00 70.53 H new ATOM 0 HE2 LYS A 36 12.217 -4.630 -6.071 1.00 64.50 H new ATOM 0 HE3 LYS A 36 11.433 -3.618 -4.874 1.00 64.50 H new ATOM 0 HZ1 LYS A 36 12.203 -5.680 -3.907 1.00 73.21 H new ATOM 0 HZ2 LYS A 36 10.508 -5.605 -3.838 1.00 73.21 H new ATOM 0 HZ3 LYS A 36 11.268 -6.586 -4.998 1.00 73.21 H new ATOM 635 N TYR A 37 6.579 -1.496 -10.073 1.00 44.10 N ATOM 636 CA TYR A 37 5.199 -1.421 -10.594 1.00 62.02 C ATOM 637 C TYR A 37 4.996 -2.464 -11.692 1.00 20.32 C ATOM 638 O TYR A 37 5.968 -2.912 -12.314 1.00 34.34 O ATOM 639 CB TYR A 37 4.846 0.017 -11.083 1.00 20.12 C ATOM 640 CG TYR A 37 5.891 0.697 -11.981 1.00 54.12 C ATOM 641 CD1 TYR A 37 6.935 1.454 -11.441 1.00 25.51 C ATOM 642 CD2 TYR A 37 5.825 0.596 -13.367 1.00 1.43 C ATOM 643 CE1 TYR A 37 7.861 2.074 -12.252 1.00 54.24 C ATOM 644 CE2 TYR A 37 6.752 1.214 -14.181 1.00 75.41 C ATOM 645 CZ TYR A 37 7.765 1.951 -13.622 1.00 23.13 C ATOM 646 OH TYR A 37 8.691 2.558 -14.442 1.00 31.41 O ATOM 0 H TYR A 37 7.288 -1.574 -10.803 1.00 44.10 H new ATOM 0 HA TYR A 37 4.510 -1.647 -9.780 1.00 62.02 H new ATOM 0 HB2 TYR A 37 3.902 -0.027 -11.626 1.00 20.12 H new ATOM 0 HB3 TYR A 37 4.682 0.647 -10.209 1.00 20.12 H new ATOM 0 HD1 TYR A 37 7.017 1.555 -10.369 1.00 25.51 H new ATOM 0 HD2 TYR A 37 5.029 0.020 -13.816 1.00 1.43 H new ATOM 0 HE1 TYR A 37 8.660 2.655 -11.815 1.00 54.24 H new ATOM 0 HE2 TYR A 37 6.680 1.118 -15.254 1.00 75.41 H new ATOM 0 HH TYR A 37 8.474 2.367 -15.378 1.00 31.41 H new ATOM 656 N LEU A 38 3.720 -2.832 -11.934 1.00 41.12 N ATOM 657 CA LEU A 38 3.340 -3.953 -12.821 1.00 11.10 C ATOM 658 C LEU A 38 3.724 -3.687 -14.292 1.00 54.10 C ATOM 659 O LEU A 38 3.827 -4.626 -15.088 1.00 1.10 O ATOM 660 CB LEU A 38 1.815 -4.254 -12.712 1.00 71.05 C ATOM 661 CG LEU A 38 1.318 -5.525 -13.489 1.00 23.22 C ATOM 662 CD1 LEU A 38 1.951 -6.814 -12.919 1.00 5.40 C ATOM 663 CD2 LEU A 38 -0.218 -5.617 -13.521 1.00 1.44 C ATOM 0 H LEU A 38 2.919 -2.357 -11.517 1.00 41.12 H new ATOM 0 HA LEU A 38 3.900 -4.826 -12.485 1.00 11.10 H new ATOM 0 HB2 LEU A 38 1.560 -4.371 -11.659 1.00 71.05 H new ATOM 0 HB3 LEU A 38 1.265 -3.388 -13.079 1.00 71.05 H new ATOM 0 HG LEU A 38 1.651 -5.421 -14.522 1.00 23.22 H new ATOM 0 HD11 LEU A 38 1.587 -7.676 -13.478 1.00 5.40 H new ATOM 0 HD12 LEU A 38 3.036 -6.756 -13.007 1.00 5.40 H new ATOM 0 HD13 LEU A 38 1.677 -6.920 -11.869 1.00 5.40 H new ATOM 0 HD21 LEU A 38 -0.518 -6.511 -14.068 1.00 1.44 H new ATOM 0 HD22 LEU A 38 -0.601 -5.670 -12.502 1.00 1.44 H new ATOM 0 HD23 LEU A 38 -0.625 -4.735 -14.016 1.00 1.44 H new ATOM 675 N GLU A 39 3.939 -2.409 -14.654 1.00 74.33 N ATOM 676 CA GLU A 39 4.326 -2.032 -16.028 1.00 4.31 C ATOM 677 C GLU A 39 5.766 -2.517 -16.356 1.00 43.23 C ATOM 678 O GLU A 39 6.116 -2.687 -17.533 1.00 21.13 O ATOM 679 CB GLU A 39 4.206 -0.497 -16.224 1.00 63.33 C ATOM 680 CG GLU A 39 3.926 -0.048 -17.670 1.00 43.12 C ATOM 681 CD GLU A 39 2.478 -0.329 -18.100 1.00 5.34 C ATOM 682 OE1 GLU A 39 1.565 0.365 -17.595 1.00 1.11 O ATOM 683 OE2 GLU A 39 2.241 -1.239 -18.927 1.00 24.34 O ATOM 0 H GLU A 39 3.852 -1.619 -14.015 1.00 74.33 H new ATOM 0 HA GLU A 39 3.642 -2.523 -16.720 1.00 4.31 H new ATOM 0 HB2 GLU A 39 3.407 -0.125 -15.582 1.00 63.33 H new ATOM 0 HB3 GLU A 39 5.131 -0.029 -15.886 1.00 63.33 H new ATOM 0 HG2 GLU A 39 4.129 1.019 -17.762 1.00 43.12 H new ATOM 0 HG3 GLU A 39 4.609 -0.562 -18.346 1.00 43.12 H new ATOM 690 N GLN A 40 6.588 -2.721 -15.299 1.00 45.41 N ATOM 691 CA GLN A 40 7.943 -3.289 -15.426 1.00 71.53 C ATOM 692 C GLN A 40 7.870 -4.793 -15.712 1.00 12.33 C ATOM 693 O GLN A 40 7.159 -5.522 -15.015 1.00 71.44 O ATOM 694 CB GLN A 40 8.778 -3.041 -14.132 1.00 64.32 C ATOM 695 CG GLN A 40 9.061 -1.556 -13.842 1.00 54.32 C ATOM 696 CD GLN A 40 9.858 -1.321 -12.554 1.00 74.11 C ATOM 697 OE1 GLN A 40 9.284 -1.171 -11.479 1.00 70.30 O ATOM 698 NE2 GLN A 40 11.179 -1.297 -12.652 1.00 54.40 N ATOM 0 H GLN A 40 6.327 -2.496 -14.339 1.00 45.41 H new ATOM 0 HA GLN A 40 8.436 -2.789 -16.260 1.00 71.53 H new ATOM 0 HB2 GLN A 40 8.248 -3.472 -13.282 1.00 64.32 H new ATOM 0 HB3 GLN A 40 9.727 -3.571 -14.218 1.00 64.32 H new ATOM 0 HG2 GLN A 40 9.610 -1.129 -14.681 1.00 54.32 H new ATOM 0 HG3 GLN A 40 8.114 -1.021 -13.775 1.00 54.32 H new ATOM 0 HE21 GLN A 40 11.625 -1.425 -13.560 1.00 54.40 H new ATOM 0 HE22 GLN A 40 11.750 -1.151 -11.819 1.00 54.40 H new ATOM 707 N ALA A 41 8.620 -5.243 -16.734 1.00 44.13 N ATOM 708 CA ALA A 41 8.768 -6.670 -17.082 1.00 75.44 C ATOM 709 C ALA A 41 9.590 -7.417 -16.004 1.00 62.13 C ATOM 710 O ALA A 41 9.510 -8.643 -15.897 1.00 42.34 O ATOM 711 CB ALA A 41 9.417 -6.810 -18.475 1.00 11.02 C ATOM 0 H ALA A 41 9.146 -4.621 -17.348 1.00 44.13 H new ATOM 0 HA ALA A 41 7.779 -7.127 -17.116 1.00 75.44 H new ATOM 0 HB1 ALA A 41 9.522 -7.866 -18.723 1.00 11.02 H new ATOM 0 HB2 ALA A 41 8.788 -6.323 -19.220 1.00 11.02 H new ATOM 0 HB3 ALA A 41 10.400 -6.340 -18.467 1.00 11.02 H new ATOM 717 N SER A 42 10.362 -6.648 -15.197 1.00 34.22 N ATOM 718 CA SER A 42 11.184 -7.173 -14.084 1.00 34.41 C ATOM 719 C SER A 42 10.345 -7.458 -12.808 1.00 14.51 C ATOM 720 O SER A 42 10.916 -7.770 -11.746 1.00 13.22 O ATOM 721 CB SER A 42 12.309 -6.158 -13.761 1.00 42.00 C ATOM 722 OG SER A 42 13.090 -5.868 -14.908 1.00 51.14 O ATOM 0 H SER A 42 10.430 -5.636 -15.304 1.00 34.22 H new ATOM 0 HA SER A 42 11.609 -8.124 -14.404 1.00 34.41 H new ATOM 0 HB2 SER A 42 11.871 -5.238 -13.375 1.00 42.00 H new ATOM 0 HB3 SER A 42 12.949 -6.560 -12.975 1.00 42.00 H new ATOM 0 HG SER A 42 13.790 -5.224 -14.673 1.00 51.14 H new ATOM 728 N PHE A 43 9.003 -7.337 -12.915 1.00 23.24 N ATOM 729 CA PHE A 43 8.078 -7.598 -11.804 1.00 31.15 C ATOM 730 C PHE A 43 8.040 -9.127 -11.504 1.00 30.30 C ATOM 731 O PHE A 43 7.759 -9.911 -12.410 1.00 4.41 O ATOM 732 CB PHE A 43 6.665 -7.043 -12.161 1.00 2.43 C ATOM 733 CG PHE A 43 5.805 -6.707 -10.946 1.00 11.15 C ATOM 734 CD1 PHE A 43 6.074 -5.560 -10.197 1.00 33.33 C ATOM 735 CD2 PHE A 43 4.749 -7.524 -10.546 1.00 51.12 C ATOM 736 CE1 PHE A 43 5.317 -5.240 -9.097 1.00 43.11 C ATOM 737 CE2 PHE A 43 3.991 -7.199 -9.442 1.00 24.04 C ATOM 738 CZ PHE A 43 4.275 -6.057 -8.716 1.00 2.13 C ATOM 0 H PHE A 43 8.537 -7.055 -13.777 1.00 23.24 H new ATOM 0 HA PHE A 43 8.420 -7.089 -10.903 1.00 31.15 H new ATOM 0 HB2 PHE A 43 6.781 -6.147 -12.770 1.00 2.43 H new ATOM 0 HB3 PHE A 43 6.141 -7.778 -12.772 1.00 2.43 H new ATOM 0 HD1 PHE A 43 6.890 -4.915 -10.487 1.00 33.33 H new ATOM 0 HD2 PHE A 43 4.523 -8.419 -11.106 1.00 51.12 H new ATOM 0 HE1 PHE A 43 5.538 -4.348 -8.530 1.00 43.11 H new ATOM 0 HE2 PHE A 43 3.173 -7.838 -9.143 1.00 24.04 H new ATOM 0 HZ PHE A 43 3.680 -5.805 -7.850 1.00 2.13 H new ATOM 748 N PRO A 44 8.328 -9.568 -10.227 1.00 30.30 N ATOM 749 CA PRO A 44 8.521 -11.012 -9.884 1.00 0.41 C ATOM 750 C PRO A 44 7.204 -11.791 -9.657 1.00 73.43 C ATOM 751 O PRO A 44 7.229 -12.961 -9.260 1.00 53.12 O ATOM 752 CB PRO A 44 9.352 -10.915 -8.590 1.00 32.10 C ATOM 753 CG PRO A 44 8.799 -9.697 -7.898 1.00 72.51 C ATOM 754 CD PRO A 44 8.481 -8.706 -9.013 1.00 2.13 C ATOM 0 HA PRO A 44 8.992 -11.571 -10.692 1.00 0.41 H new ATOM 0 HB2 PRO A 44 9.242 -11.809 -7.976 1.00 32.10 H new ATOM 0 HB3 PRO A 44 10.415 -10.805 -8.805 1.00 32.10 H new ATOM 0 HG2 PRO A 44 7.905 -9.943 -7.325 1.00 72.51 H new ATOM 0 HG3 PRO A 44 9.523 -9.281 -7.197 1.00 72.51 H new ATOM 0 HD2 PRO A 44 7.569 -8.147 -8.803 1.00 2.13 H new ATOM 0 HD3 PRO A 44 9.281 -7.976 -9.139 1.00 2.13 H new ATOM 762 N MET A 45 6.065 -11.128 -9.889 1.00 51.51 N ATOM 763 CA MET A 45 4.731 -11.747 -9.807 1.00 24.35 C ATOM 764 C MET A 45 4.029 -11.589 -11.155 1.00 24.33 C ATOM 765 O MET A 45 4.341 -10.664 -11.921 1.00 71.13 O ATOM 766 CB MET A 45 3.873 -11.098 -8.677 1.00 35.04 C ATOM 767 CG MET A 45 4.397 -11.330 -7.248 1.00 13.12 C ATOM 768 SD MET A 45 3.270 -10.717 -5.970 1.00 42.32 S ATOM 769 CE MET A 45 3.208 -8.963 -6.337 1.00 51.40 C ATOM 0 H MET A 45 6.040 -10.140 -10.141 1.00 51.51 H new ATOM 0 HA MET A 45 4.848 -12.804 -9.567 1.00 24.35 H new ATOM 0 HB2 MET A 45 3.815 -10.024 -8.857 1.00 35.04 H new ATOM 0 HB3 MET A 45 2.857 -11.488 -8.743 1.00 35.04 H new ATOM 0 HG2 MET A 45 4.562 -12.397 -7.097 1.00 13.12 H new ATOM 0 HG3 MET A 45 5.364 -10.839 -7.138 1.00 13.12 H new ATOM 0 HE1 MET A 45 2.682 -8.442 -5.537 1.00 51.40 H new ATOM 0 HE2 MET A 45 4.222 -8.572 -6.419 1.00 51.40 H new ATOM 0 HE3 MET A 45 2.682 -8.807 -7.279 1.00 51.40 H new ATOM 779 N ASN A 46 3.083 -12.495 -11.445 1.00 2.10 N ATOM 780 CA ASN A 46 2.201 -12.376 -12.622 1.00 74.13 C ATOM 781 C ASN A 46 1.247 -11.187 -12.420 1.00 21.41 C ATOM 782 O ASN A 46 1.115 -10.661 -11.305 1.00 33.30 O ATOM 783 CB ASN A 46 1.360 -13.667 -12.858 1.00 52.03 C ATOM 784 CG ASN A 46 2.168 -14.961 -13.022 1.00 31.44 C ATOM 785 OD1 ASN A 46 3.250 -15.118 -12.458 1.00 45.41 O ATOM 786 ND2 ASN A 46 1.629 -15.911 -13.776 1.00 33.55 N ATOM 0 H ASN A 46 2.907 -13.324 -10.878 1.00 2.10 H new ATOM 0 HA ASN A 46 2.833 -12.223 -13.497 1.00 74.13 H new ATOM 0 HB2 ASN A 46 0.674 -13.791 -12.020 1.00 52.03 H new ATOM 0 HB3 ASN A 46 0.750 -13.524 -13.750 1.00 52.03 H new ATOM 0 HD21 ASN A 46 2.114 -16.800 -13.900 1.00 33.55 H new ATOM 0 HD22 ASN A 46 0.730 -15.752 -14.231 1.00 33.55 H new ATOM 793 N GLU A 47 0.567 -10.789 -13.498 1.00 13.44 N ATOM 794 CA GLU A 47 -0.418 -9.702 -13.458 1.00 22.42 C ATOM 795 C GLU A 47 -1.618 -10.106 -12.576 1.00 25.31 C ATOM 796 O GLU A 47 -2.128 -9.281 -11.802 1.00 1.11 O ATOM 797 CB GLU A 47 -0.839 -9.332 -14.896 1.00 35.22 C ATOM 798 CG GLU A 47 0.351 -8.866 -15.767 1.00 50.20 C ATOM 799 CD GLU A 47 -0.022 -8.582 -17.225 1.00 15.24 C ATOM 800 OE1 GLU A 47 -0.155 -9.546 -18.009 1.00 0.51 O ATOM 801 OE2 GLU A 47 -0.192 -7.400 -17.592 1.00 34.34 O ATOM 0 H GLU A 47 0.682 -11.208 -14.421 1.00 13.44 H new ATOM 0 HA GLU A 47 0.024 -8.814 -13.007 1.00 22.42 H new ATOM 0 HB2 GLU A 47 -1.311 -10.195 -15.365 1.00 35.22 H new ATOM 0 HB3 GLU A 47 -1.588 -8.541 -14.858 1.00 35.22 H new ATOM 0 HG2 GLU A 47 0.778 -7.964 -15.329 1.00 50.20 H new ATOM 0 HG3 GLU A 47 1.128 -9.630 -15.743 1.00 50.20 H new ATOM 808 N THR A 48 -2.016 -11.398 -12.663 1.00 51.54 N ATOM 809 CA THR A 48 -3.047 -11.982 -11.790 1.00 43.14 C ATOM 810 C THR A 48 -2.580 -11.929 -10.327 1.00 34.31 C ATOM 811 O THR A 48 -3.275 -11.374 -9.486 1.00 0.21 O ATOM 812 CB THR A 48 -3.387 -13.460 -12.190 1.00 70.03 C ATOM 813 OG1 THR A 48 -3.617 -13.528 -13.605 1.00 31.42 O ATOM 814 CG2 THR A 48 -4.634 -13.986 -11.450 1.00 75.44 C ATOM 0 H THR A 48 -1.630 -12.057 -13.339 1.00 51.54 H new ATOM 0 HA THR A 48 -3.956 -11.392 -11.910 1.00 43.14 H new ATOM 0 HB THR A 48 -2.540 -14.084 -11.907 1.00 70.03 H new ATOM 0 HG1 THR A 48 -3.828 -14.451 -13.858 1.00 31.42 H new ATOM 0 HG21 THR A 48 -4.833 -15.013 -11.757 1.00 75.44 H new ATOM 0 HG22 THR A 48 -4.458 -13.956 -10.375 1.00 75.44 H new ATOM 0 HG23 THR A 48 -5.493 -13.361 -11.695 1.00 75.44 H new ATOM 822 N GLU A 49 -1.349 -12.445 -10.069 1.00 71.50 N ATOM 823 CA GLU A 49 -0.762 -12.538 -8.706 1.00 73.30 C ATOM 824 C GLU A 49 -0.631 -11.153 -8.047 1.00 31.34 C ATOM 825 O GLU A 49 -0.740 -11.033 -6.823 1.00 72.31 O ATOM 826 CB GLU A 49 0.637 -13.217 -8.746 1.00 3.34 C ATOM 827 CG GLU A 49 0.683 -14.586 -9.454 1.00 3.42 C ATOM 828 CD GLU A 49 -0.306 -15.609 -8.886 1.00 20.11 C ATOM 829 OE1 GLU A 49 0.015 -16.254 -7.865 1.00 70.30 O ATOM 830 OE2 GLU A 49 -1.407 -15.768 -9.452 1.00 25.15 O ATOM 0 H GLU A 49 -0.737 -12.808 -10.800 1.00 71.50 H new ATOM 0 HA GLU A 49 -1.444 -13.146 -8.111 1.00 73.30 H new ATOM 0 HB2 GLU A 49 1.335 -12.545 -9.244 1.00 3.34 H new ATOM 0 HB3 GLU A 49 0.991 -13.343 -7.723 1.00 3.34 H new ATOM 0 HG2 GLU A 49 0.475 -14.443 -10.514 1.00 3.42 H new ATOM 0 HG3 GLU A 49 1.693 -14.990 -9.379 1.00 3.42 H new ATOM 837 N TYR A 50 -0.379 -10.128 -8.883 1.00 70.31 N ATOM 838 CA TYR A 50 -0.297 -8.728 -8.455 1.00 44.44 C ATOM 839 C TYR A 50 -1.662 -8.238 -7.937 1.00 12.43 C ATOM 840 O TYR A 50 -1.733 -7.633 -6.864 1.00 73.24 O ATOM 841 CB TYR A 50 0.210 -7.831 -9.623 1.00 63.02 C ATOM 842 CG TYR A 50 0.046 -6.322 -9.366 1.00 11.33 C ATOM 843 CD1 TYR A 50 0.772 -5.677 -8.362 1.00 64.21 C ATOM 844 CD2 TYR A 50 -0.864 -5.563 -10.103 1.00 0.24 C ATOM 845 CE1 TYR A 50 0.582 -4.343 -8.093 1.00 71.41 C ATOM 846 CE2 TYR A 50 -1.040 -4.229 -9.851 1.00 22.33 C ATOM 847 CZ TYR A 50 -0.319 -3.623 -8.846 1.00 1.43 C ATOM 848 OH TYR A 50 -0.553 -2.303 -8.556 1.00 41.20 O ATOM 0 H TYR A 50 -0.226 -10.255 -9.883 1.00 70.31 H new ATOM 0 HA TYR A 50 0.419 -8.658 -7.636 1.00 44.44 H new ATOM 0 HB2 TYR A 50 1.263 -8.047 -9.803 1.00 63.02 H new ATOM 0 HB3 TYR A 50 -0.330 -8.096 -10.532 1.00 63.02 H new ATOM 0 HD1 TYR A 50 1.495 -6.236 -7.787 1.00 64.21 H new ATOM 0 HD2 TYR A 50 -1.439 -6.036 -10.885 1.00 0.24 H new ATOM 0 HE1 TYR A 50 1.134 -3.863 -7.298 1.00 71.41 H new ATOM 0 HE2 TYR A 50 -1.741 -3.654 -10.438 1.00 22.33 H new ATOM 0 HH TYR A 50 0.083 -2.000 -7.875 1.00 41.20 H new ATOM 858 N GLN A 51 -2.735 -8.509 -8.702 1.00 21.41 N ATOM 859 CA GLN A 51 -4.094 -8.049 -8.356 1.00 51.33 C ATOM 860 C GLN A 51 -4.629 -8.818 -7.125 1.00 11.55 C ATOM 861 O GLN A 51 -5.355 -8.251 -6.297 1.00 52.13 O ATOM 862 CB GLN A 51 -5.058 -8.188 -9.570 1.00 13.45 C ATOM 863 CG GLN A 51 -6.423 -7.480 -9.375 1.00 40.13 C ATOM 864 CD GLN A 51 -6.304 -5.955 -9.189 1.00 74.15 C ATOM 865 OE1 GLN A 51 -5.416 -5.315 -9.756 1.00 1.13 O ATOM 866 NE2 GLN A 51 -7.184 -5.370 -8.383 1.00 71.53 N ATOM 0 H GLN A 51 -2.687 -9.046 -9.568 1.00 21.41 H new ATOM 0 HA GLN A 51 -4.042 -6.991 -8.098 1.00 51.33 H new ATOM 0 HB2 GLN A 51 -4.572 -7.779 -10.456 1.00 13.45 H new ATOM 0 HB3 GLN A 51 -5.233 -9.246 -9.762 1.00 13.45 H new ATOM 0 HG2 GLN A 51 -7.056 -7.684 -10.239 1.00 40.13 H new ATOM 0 HG3 GLN A 51 -6.923 -7.906 -8.505 1.00 40.13 H new ATOM 0 HE21 GLN A 51 -7.908 -5.927 -7.928 1.00 71.53 H new ATOM 0 HE22 GLN A 51 -7.136 -4.364 -8.219 1.00 71.53 H new ATOM 875 N GLU A 52 -4.245 -10.108 -7.020 1.00 71.23 N ATOM 876 CA GLU A 52 -4.535 -10.955 -5.847 1.00 14.42 C ATOM 877 C GLU A 52 -3.856 -10.369 -4.603 1.00 15.25 C ATOM 878 O GLU A 52 -4.462 -10.299 -3.534 1.00 24.21 O ATOM 879 CB GLU A 52 -4.021 -12.400 -6.079 1.00 14.45 C ATOM 880 CG GLU A 52 -4.650 -13.140 -7.279 1.00 15.33 C ATOM 881 CD GLU A 52 -6.154 -13.424 -7.125 1.00 12.12 C ATOM 882 OE1 GLU A 52 -6.512 -14.461 -6.527 1.00 33.35 O ATOM 883 OE2 GLU A 52 -6.985 -12.621 -7.606 1.00 41.41 O ATOM 0 H GLU A 52 -3.723 -10.592 -7.751 1.00 71.23 H new ATOM 0 HA GLU A 52 -5.615 -10.982 -5.699 1.00 14.42 H new ATOM 0 HB2 GLU A 52 -2.941 -12.365 -6.221 1.00 14.45 H new ATOM 0 HB3 GLU A 52 -4.206 -12.983 -5.177 1.00 14.45 H new ATOM 0 HG2 GLU A 52 -4.494 -12.547 -8.180 1.00 15.33 H new ATOM 0 HG3 GLU A 52 -4.126 -14.085 -7.424 1.00 15.33 H new ATOM 890 N HIS A 53 -2.587 -9.947 -4.794 1.00 54.41 N ATOM 891 CA HIS A 53 -1.753 -9.331 -3.751 1.00 71.02 C ATOM 892 C HIS A 53 -2.385 -8.021 -3.261 1.00 62.45 C ATOM 893 O HIS A 53 -2.445 -7.792 -2.061 1.00 30.23 O ATOM 894 CB HIS A 53 -0.318 -9.085 -4.293 1.00 34.20 C ATOM 895 CG HIS A 53 0.624 -8.407 -3.333 1.00 10.31 C ATOM 896 ND1 HIS A 53 1.235 -9.064 -2.293 1.00 42.51 N ATOM 897 CD2 HIS A 53 1.075 -7.130 -3.283 1.00 41.44 C ATOM 898 CE1 HIS A 53 2.016 -8.227 -1.648 1.00 12.31 C ATOM 899 NE2 HIS A 53 1.941 -7.046 -2.230 1.00 12.24 N ATOM 0 H HIS A 53 -2.111 -10.028 -5.692 1.00 54.41 H new ATOM 0 HA HIS A 53 -1.690 -10.012 -2.902 1.00 71.02 H new ATOM 0 HB2 HIS A 53 0.113 -10.043 -4.583 1.00 34.20 H new ATOM 0 HB3 HIS A 53 -0.387 -8.480 -5.197 1.00 34.20 H new ATOM 0 HD2 HIS A 53 0.801 -6.328 -3.952 1.00 41.44 H new ATOM 0 HE1 HIS A 53 2.619 -8.466 -0.785 1.00 12.31 H new ATOM 0 HE2 HIS A 53 2.446 -6.208 -1.941 1.00 12.24 H new ATOM 908 N LEU A 54 -2.863 -7.189 -4.210 1.00 0.33 N ATOM 909 CA LEU A 54 -3.513 -5.900 -3.899 1.00 22.12 C ATOM 910 C LEU A 54 -4.753 -6.104 -3.045 1.00 33.21 C ATOM 911 O LEU A 54 -4.937 -5.415 -2.048 1.00 21.34 O ATOM 912 CB LEU A 54 -3.943 -5.163 -5.180 1.00 33.54 C ATOM 913 CG LEU A 54 -2.818 -4.619 -6.081 1.00 62.33 C ATOM 914 CD1 LEU A 54 -3.436 -4.025 -7.344 1.00 2.21 C ATOM 915 CD2 LEU A 54 -1.936 -3.585 -5.333 1.00 54.11 C ATOM 0 H LEU A 54 -2.809 -7.391 -5.208 1.00 0.33 H new ATOM 0 HA LEU A 54 -2.776 -5.306 -3.358 1.00 22.12 H new ATOM 0 HB2 LEU A 54 -4.555 -5.843 -5.774 1.00 33.54 H new ATOM 0 HB3 LEU A 54 -4.582 -4.328 -4.893 1.00 33.54 H new ATOM 0 HG LEU A 54 -2.157 -5.439 -6.361 1.00 62.33 H new ATOM 0 HD11 LEU A 54 -2.646 -3.637 -7.988 1.00 2.21 H new ATOM 0 HD12 LEU A 54 -3.991 -4.798 -7.876 1.00 2.21 H new ATOM 0 HD13 LEU A 54 -4.113 -3.215 -7.072 1.00 2.21 H new ATOM 0 HD21 LEU A 54 -1.154 -3.224 -6.000 1.00 54.11 H new ATOM 0 HD22 LEU A 54 -2.553 -2.747 -5.010 1.00 54.11 H new ATOM 0 HD23 LEU A 54 -1.481 -4.057 -4.462 1.00 54.11 H new ATOM 927 N ASP A 55 -5.614 -7.038 -3.484 1.00 62.42 N ATOM 928 CA ASP A 55 -6.911 -7.289 -2.843 1.00 4.11 C ATOM 929 C ASP A 55 -6.712 -7.967 -1.479 1.00 5.53 C ATOM 930 O ASP A 55 -7.517 -7.777 -0.570 1.00 25.24 O ATOM 931 CB ASP A 55 -7.841 -8.114 -3.775 1.00 24.24 C ATOM 932 CG ASP A 55 -9.321 -8.003 -3.358 1.00 73.13 C ATOM 933 OD1 ASP A 55 -9.961 -6.982 -3.706 1.00 75.03 O ATOM 934 OD2 ASP A 55 -9.828 -8.887 -2.636 1.00 54.33 O ATOM 0 H ASP A 55 -5.429 -7.636 -4.289 1.00 62.42 H new ATOM 0 HA ASP A 55 -7.405 -6.334 -2.666 1.00 4.11 H new ATOM 0 HB2 ASP A 55 -7.726 -7.766 -4.802 1.00 24.24 H new ATOM 0 HB3 ASP A 55 -7.537 -9.160 -3.757 1.00 24.24 H new ATOM 939 N SER A 56 -5.607 -8.731 -1.351 1.00 32.23 N ATOM 940 CA SER A 56 -5.201 -9.363 -0.086 1.00 64.50 C ATOM 941 C SER A 56 -4.704 -8.291 0.904 1.00 23.20 C ATOM 942 O SER A 56 -5.014 -8.348 2.104 1.00 13.42 O ATOM 943 CB SER A 56 -4.099 -10.425 -0.357 1.00 71.24 C ATOM 944 OG SER A 56 -3.777 -11.156 0.811 1.00 32.31 O ATOM 0 H SER A 56 -4.973 -8.925 -2.126 1.00 32.23 H new ATOM 0 HA SER A 56 -6.060 -9.865 0.360 1.00 64.50 H new ATOM 0 HB2 SER A 56 -4.438 -11.111 -1.133 1.00 71.24 H new ATOM 0 HB3 SER A 56 -3.204 -9.932 -0.736 1.00 71.24 H new ATOM 0 HG SER A 56 -3.082 -11.815 0.603 1.00 32.31 H new ATOM 950 N VAL A 57 -3.946 -7.307 0.373 1.00 2.45 N ATOM 951 CA VAL A 57 -3.398 -6.190 1.152 1.00 23.01 C ATOM 952 C VAL A 57 -4.531 -5.274 1.639 1.00 12.23 C ATOM 953 O VAL A 57 -4.612 -4.995 2.821 1.00 62.23 O ATOM 954 CB VAL A 57 -2.312 -5.372 0.336 1.00 22.33 C ATOM 955 CG1 VAL A 57 -1.988 -4.004 0.996 1.00 50.02 C ATOM 956 CG2 VAL A 57 -1.010 -6.205 0.173 1.00 54.03 C ATOM 0 H VAL A 57 -3.699 -7.271 -0.616 1.00 2.45 H new ATOM 0 HA VAL A 57 -2.890 -6.609 2.021 1.00 23.01 H new ATOM 0 HB VAL A 57 -2.738 -5.171 -0.647 1.00 22.33 H new ATOM 0 HG11 VAL A 57 -1.239 -3.481 0.401 1.00 50.02 H new ATOM 0 HG12 VAL A 57 -2.895 -3.402 1.049 1.00 50.02 H new ATOM 0 HG13 VAL A 57 -1.602 -4.168 2.002 1.00 50.02 H new ATOM 0 HG21 VAL A 57 -0.277 -5.627 -0.389 1.00 54.03 H new ATOM 0 HG22 VAL A 57 -0.606 -6.445 1.157 1.00 54.03 H new ATOM 0 HG23 VAL A 57 -1.233 -7.128 -0.363 1.00 54.03 H new ATOM 966 N ALA A 58 -5.421 -4.870 0.719 1.00 41.44 N ATOM 967 CA ALA A 58 -6.517 -3.921 0.999 1.00 65.33 C ATOM 968 C ALA A 58 -7.591 -4.546 1.913 1.00 23.15 C ATOM 969 O ALA A 58 -8.280 -3.828 2.647 1.00 33.23 O ATOM 970 CB ALA A 58 -7.125 -3.418 -0.316 1.00 52.20 C ATOM 0 H ALA A 58 -5.403 -5.194 -0.248 1.00 41.44 H new ATOM 0 HA ALA A 58 -6.102 -3.069 1.537 1.00 65.33 H new ATOM 0 HB1 ALA A 58 -7.933 -2.719 -0.099 1.00 52.20 H new ATOM 0 HB2 ALA A 58 -6.357 -2.915 -0.903 1.00 52.20 H new ATOM 0 HB3 ALA A 58 -7.518 -4.263 -0.881 1.00 52.20 H new ATOM 976 N ASN A 59 -7.712 -5.890 1.854 1.00 32.41 N ATOM 977 CA ASN A 59 -8.575 -6.679 2.760 1.00 12.33 C ATOM 978 C ASN A 59 -7.982 -6.675 4.184 1.00 33.14 C ATOM 979 O ASN A 59 -8.715 -6.545 5.172 1.00 34.22 O ATOM 980 CB ASN A 59 -8.715 -8.133 2.226 1.00 10.00 C ATOM 981 CG ASN A 59 -9.539 -9.079 3.110 1.00 51.53 C ATOM 982 OD1 ASN A 59 -10.445 -8.664 3.828 1.00 12.21 O ATOM 983 ND2 ASN A 59 -9.244 -10.366 3.038 1.00 41.32 N ATOM 0 H ASN A 59 -7.211 -6.461 1.173 1.00 32.41 H new ATOM 0 HA ASN A 59 -9.567 -6.228 2.797 1.00 12.33 H new ATOM 0 HB2 ASN A 59 -9.171 -8.097 1.237 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -7.718 -8.555 2.102 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -9.774 -11.042 3.587 1.00 41.32 H new ATOM 0 HD22 ASN A 59 -8.486 -10.682 2.433 1.00 41.32 H new ATOM 990 N TYR A 60 -6.643 -6.809 4.254 1.00 30.23 N ATOM 991 CA TYR A 60 -5.870 -6.769 5.503 1.00 21.11 C ATOM 992 C TYR A 60 -5.947 -5.350 6.121 1.00 15.11 C ATOM 993 O TYR A 60 -6.098 -5.204 7.329 1.00 71.22 O ATOM 994 CB TYR A 60 -4.392 -7.171 5.195 1.00 74.30 C ATOM 995 CG TYR A 60 -3.574 -7.783 6.347 1.00 71.00 C ATOM 996 CD1 TYR A 60 -3.873 -7.538 7.688 1.00 4.23 C ATOM 997 CD2 TYR A 60 -2.487 -8.616 6.068 1.00 33.24 C ATOM 998 CE1 TYR A 60 -3.126 -8.096 8.698 1.00 14.32 C ATOM 999 CE2 TYR A 60 -1.740 -9.178 7.074 1.00 24.14 C ATOM 1000 CZ TYR A 60 -2.060 -8.917 8.391 1.00 52.33 C ATOM 1001 OH TYR A 60 -1.308 -9.471 9.403 1.00 24.33 O ATOM 0 H TYR A 60 -6.062 -6.950 3.428 1.00 30.23 H new ATOM 0 HA TYR A 60 -6.283 -7.473 6.226 1.00 21.11 H new ATOM 0 HB2 TYR A 60 -4.401 -7.884 4.371 1.00 74.30 H new ATOM 0 HB3 TYR A 60 -3.867 -6.283 4.842 1.00 74.30 H new ATOM 0 HD1 TYR A 60 -4.707 -6.898 7.937 1.00 4.23 H new ATOM 0 HD2 TYR A 60 -2.229 -8.822 5.040 1.00 33.24 H new ATOM 0 HE1 TYR A 60 -3.373 -7.892 9.730 1.00 14.32 H new ATOM 0 HE2 TYR A 60 -0.906 -9.821 6.836 1.00 24.14 H new ATOM 0 HH TYR A 60 -0.597 -10.024 9.017 1.00 24.33 H new ATOM 1011 N LEU A 61 -5.869 -4.323 5.253 1.00 13.44 N ATOM 1012 CA LEU A 61 -5.949 -2.903 5.644 1.00 32.44 C ATOM 1013 C LEU A 61 -7.347 -2.588 6.208 1.00 2.31 C ATOM 1014 O LEU A 61 -7.483 -1.829 7.173 1.00 54.13 O ATOM 1015 CB LEU A 61 -5.660 -1.987 4.423 1.00 71.15 C ATOM 1016 CG LEU A 61 -4.233 -2.070 3.802 1.00 12.14 C ATOM 1017 CD1 LEU A 61 -4.144 -1.259 2.493 1.00 34.24 C ATOM 1018 CD2 LEU A 61 -3.153 -1.630 4.810 1.00 42.53 C ATOM 0 H LEU A 61 -5.747 -4.458 4.249 1.00 13.44 H new ATOM 0 HA LEU A 61 -5.200 -2.714 6.413 1.00 32.44 H new ATOM 0 HB2 LEU A 61 -6.384 -2.223 3.643 1.00 71.15 H new ATOM 0 HB3 LEU A 61 -5.840 -0.955 4.723 1.00 71.15 H new ATOM 0 HG LEU A 61 -4.043 -3.115 3.556 1.00 12.14 H new ATOM 0 HD11 LEU A 61 -3.136 -1.337 2.085 1.00 34.24 H new ATOM 0 HD12 LEU A 61 -4.860 -1.653 1.771 1.00 34.24 H new ATOM 0 HD13 LEU A 61 -4.373 -0.213 2.697 1.00 34.24 H new ATOM 0 HD21 LEU A 61 -2.170 -1.700 4.344 1.00 42.53 H new ATOM 0 HD22 LEU A 61 -3.338 -0.600 5.114 1.00 42.53 H new ATOM 0 HD23 LEU A 61 -3.187 -2.278 5.685 1.00 42.53 H new ATOM 1030 N HIS A 62 -8.371 -3.177 5.557 1.00 62.45 N ATOM 1031 CA HIS A 62 -9.784 -3.077 5.969 1.00 73.24 C ATOM 1032 C HIS A 62 -10.002 -3.753 7.340 1.00 73.12 C ATOM 1033 O HIS A 62 -10.749 -3.237 8.185 1.00 32.33 O ATOM 1034 CB HIS A 62 -10.694 -3.714 4.881 1.00 42.43 C ATOM 1035 CG HIS A 62 -12.152 -3.842 5.252 1.00 12.20 C ATOM 1036 ND1 HIS A 62 -12.798 -5.052 5.323 1.00 51.44 N ATOM 1037 CD2 HIS A 62 -13.081 -2.908 5.569 1.00 21.33 C ATOM 1038 CE1 HIS A 62 -14.047 -4.862 5.674 1.00 75.44 C ATOM 1039 NE2 HIS A 62 -14.249 -3.571 5.828 1.00 53.53 N ATOM 0 H HIS A 62 -8.237 -3.743 4.719 1.00 62.45 H new ATOM 0 HA HIS A 62 -10.050 -2.025 6.074 1.00 73.24 H new ATOM 0 HB2 HIS A 62 -10.619 -3.116 3.973 1.00 42.43 H new ATOM 0 HB3 HIS A 62 -10.308 -4.705 4.643 1.00 42.43 H new ATOM 0 HD2 HIS A 62 -12.928 -1.840 5.610 1.00 21.33 H new ATOM 0 HE1 HIS A 62 -14.787 -5.636 5.813 1.00 75.44 H new ATOM 0 HE2 HIS A 62 -15.132 -3.136 6.096 1.00 53.53 H new ATOM 1048 N ALA A 63 -9.326 -4.901 7.540 1.00 31.25 N ATOM 1049 CA ALA A 63 -9.389 -5.673 8.795 1.00 15.32 C ATOM 1050 C ALA A 63 -8.781 -4.872 9.956 1.00 0.15 C ATOM 1051 O ALA A 63 -9.344 -4.826 11.054 1.00 33.24 O ATOM 1052 CB ALA A 63 -8.662 -7.018 8.621 1.00 23.12 C ATOM 0 H ALA A 63 -8.720 -5.319 6.834 1.00 31.25 H new ATOM 0 HA ALA A 63 -10.434 -5.869 9.034 1.00 15.32 H new ATOM 0 HB1 ALA A 63 -8.713 -7.582 9.552 1.00 23.12 H new ATOM 0 HB2 ALA A 63 -9.139 -7.589 7.824 1.00 23.12 H new ATOM 0 HB3 ALA A 63 -7.619 -6.837 8.363 1.00 23.12 H new ATOM 1058 N LEU A 64 -7.624 -4.240 9.679 1.00 62.32 N ATOM 1059 CA LEU A 64 -6.878 -3.425 10.655 1.00 5.02 C ATOM 1060 C LEU A 64 -7.548 -2.057 10.898 1.00 60.14 C ATOM 1061 O LEU A 64 -7.415 -1.477 11.978 1.00 71.40 O ATOM 1062 CB LEU A 64 -5.417 -3.218 10.159 1.00 13.13 C ATOM 1063 CG LEU A 64 -4.527 -4.499 10.026 1.00 63.40 C ATOM 1064 CD1 LEU A 64 -3.130 -4.158 9.458 1.00 71.30 C ATOM 1065 CD2 LEU A 64 -4.418 -5.252 11.373 1.00 21.24 C ATOM 0 H LEU A 64 -7.178 -4.282 8.763 1.00 62.32 H new ATOM 0 HA LEU A 64 -6.876 -3.963 11.603 1.00 5.02 H new ATOM 0 HB2 LEU A 64 -5.455 -2.729 9.186 1.00 13.13 H new ATOM 0 HB3 LEU A 64 -4.921 -2.529 10.843 1.00 13.13 H new ATOM 0 HG LEU A 64 -5.016 -5.165 9.316 1.00 63.40 H new ATOM 0 HD11 LEU A 64 -2.537 -5.069 9.378 1.00 71.30 H new ATOM 0 HD12 LEU A 64 -3.238 -3.708 8.471 1.00 71.30 H new ATOM 0 HD13 LEU A 64 -2.628 -3.456 10.124 1.00 71.30 H new ATOM 0 HD21 LEU A 64 -3.793 -6.136 11.246 1.00 21.24 H new ATOM 0 HD22 LEU A 64 -3.972 -4.597 12.121 1.00 21.24 H new ATOM 0 HD23 LEU A 64 -5.412 -5.554 11.702 1.00 21.24 H new ATOM 1077 N GLY A 65 -8.271 -1.556 9.883 1.00 50.34 N ATOM 1078 CA GLY A 65 -8.803 -0.185 9.886 1.00 5.35 C ATOM 1079 C GLY A 65 -7.790 0.832 9.350 1.00 61.15 C ATOM 1080 O GLY A 65 -8.071 2.036 9.304 1.00 71.23 O ATOM 0 H GLY A 65 -8.502 -2.087 9.043 1.00 50.34 H new ATOM 0 HA2 GLY A 65 -9.708 -0.147 9.280 1.00 5.35 H new ATOM 0 HA3 GLY A 65 -9.088 0.090 10.902 1.00 5.35 H new ATOM 1084 N GLY A 66 -6.614 0.330 8.910 1.00 12.31 N ATOM 1085 CA GLY A 66 -5.536 1.166 8.380 1.00 30.22 C ATOM 1086 C GLY A 66 -5.699 1.491 6.902 1.00 74.24 C ATOM 1087 O GLY A 66 -4.835 2.153 6.324 1.00 70.33 O ATOM 0 H GLY A 66 -6.395 -0.666 8.916 1.00 12.31 H new ATOM 0 HA2 GLY A 66 -5.494 2.096 8.947 1.00 30.22 H new ATOM 0 HA3 GLY A 66 -4.584 0.658 8.530 1.00 30.22 H new ATOM 1091 N ALA A 67 -6.809 1.025 6.289 1.00 4.20 N ATOM 1092 CA ALA A 67 -7.144 1.323 4.885 1.00 45.54 C ATOM 1093 C ALA A 67 -7.335 2.830 4.678 1.00 43.01 C ATOM 1094 O ALA A 67 -6.827 3.401 3.710 1.00 42.50 O ATOM 1095 CB ALA A 67 -8.401 0.550 4.462 1.00 65.23 C ATOM 0 H ALA A 67 -7.496 0.432 6.756 1.00 4.20 H new ATOM 0 HA ALA A 67 -6.314 1.002 4.256 1.00 45.54 H new ATOM 0 HB1 ALA A 67 -8.637 0.780 3.423 1.00 65.23 H new ATOM 0 HB2 ALA A 67 -8.222 -0.520 4.566 1.00 65.23 H new ATOM 0 HB3 ALA A 67 -9.238 0.841 5.097 1.00 65.23 H new ATOM 1101 N VAL A 68 -8.055 3.455 5.626 1.00 65.21 N ATOM 1102 CA VAL A 68 -8.295 4.907 5.651 1.00 61.22 C ATOM 1103 C VAL A 68 -6.963 5.662 5.822 1.00 51.20 C ATOM 1104 O VAL A 68 -6.788 6.736 5.257 1.00 4.22 O ATOM 1105 CB VAL A 68 -9.293 5.288 6.814 1.00 60.41 C ATOM 1106 CG1 VAL A 68 -9.577 6.813 6.867 1.00 52.14 C ATOM 1107 CG2 VAL A 68 -10.611 4.483 6.682 1.00 64.24 C ATOM 0 H VAL A 68 -8.491 2.960 6.404 1.00 65.21 H new ATOM 0 HA VAL A 68 -8.747 5.198 4.703 1.00 61.22 H new ATOM 0 HB VAL A 68 -8.813 5.023 7.756 1.00 60.41 H new ATOM 0 HG11 VAL A 68 -10.268 7.026 7.682 1.00 52.14 H new ATOM 0 HG12 VAL A 68 -8.644 7.351 7.032 1.00 52.14 H new ATOM 0 HG13 VAL A 68 -10.019 7.134 5.924 1.00 52.14 H new ATOM 0 HG21 VAL A 68 -11.288 4.758 7.491 1.00 64.24 H new ATOM 0 HG22 VAL A 68 -11.080 4.708 5.724 1.00 64.24 H new ATOM 0 HG23 VAL A 68 -10.393 3.416 6.737 1.00 64.24 H new ATOM 1117 N GLN A 69 -6.026 5.072 6.591 1.00 31.42 N ATOM 1118 CA GLN A 69 -4.696 5.665 6.840 1.00 33.21 C ATOM 1119 C GLN A 69 -3.833 5.678 5.573 1.00 74.34 C ATOM 1120 O GLN A 69 -3.081 6.626 5.358 1.00 32.32 O ATOM 1121 CB GLN A 69 -3.964 4.922 7.994 1.00 41.04 C ATOM 1122 CG GLN A 69 -4.648 5.072 9.374 1.00 1.22 C ATOM 1123 CD GLN A 69 -4.592 6.502 9.956 1.00 10.40 C ATOM 1124 OE1 GLN A 69 -4.549 7.508 9.248 1.00 3.40 O ATOM 1125 NE2 GLN A 69 -4.619 6.600 11.266 1.00 21.53 N ATOM 0 H GLN A 69 -6.169 4.175 7.055 1.00 31.42 H new ATOM 0 HA GLN A 69 -4.855 6.701 7.141 1.00 33.21 H new ATOM 0 HB2 GLN A 69 -3.898 3.863 7.746 1.00 41.04 H new ATOM 0 HB3 GLN A 69 -2.943 5.297 8.064 1.00 41.04 H new ATOM 0 HG2 GLN A 69 -5.691 4.769 9.285 1.00 1.22 H new ATOM 0 HG3 GLN A 69 -4.176 4.387 10.078 1.00 1.22 H new ATOM 0 HE21 GLN A 69 -4.655 5.757 11.840 1.00 21.53 H new ATOM 0 HE22 GLN A 69 -4.604 7.519 11.709 1.00 21.53 H new ATOM 1134 N VAL A 70 -3.962 4.624 4.750 1.00 75.24 N ATOM 1135 CA VAL A 70 -3.271 4.521 3.448 1.00 54.33 C ATOM 1136 C VAL A 70 -3.783 5.607 2.489 1.00 5.12 C ATOM 1137 O VAL A 70 -2.997 6.298 1.832 1.00 13.53 O ATOM 1138 CB VAL A 70 -3.475 3.087 2.834 1.00 5.11 C ATOM 1139 CG1 VAL A 70 -2.883 2.969 1.406 1.00 42.01 C ATOM 1140 CG2 VAL A 70 -2.859 2.020 3.769 1.00 43.51 C ATOM 0 H VAL A 70 -4.548 3.818 4.966 1.00 75.24 H new ATOM 0 HA VAL A 70 -2.203 4.676 3.601 1.00 54.33 H new ATOM 0 HB VAL A 70 -4.548 2.915 2.747 1.00 5.11 H new ATOM 0 HG11 VAL A 70 -3.049 1.961 1.025 1.00 42.01 H new ATOM 0 HG12 VAL A 70 -3.370 3.690 0.749 1.00 42.01 H new ATOM 0 HG13 VAL A 70 -1.813 3.173 1.438 1.00 42.01 H new ATOM 0 HG21 VAL A 70 -3.004 1.030 3.337 1.00 43.51 H new ATOM 0 HG22 VAL A 70 -1.792 2.211 3.887 1.00 43.51 H new ATOM 0 HG23 VAL A 70 -3.345 2.066 4.743 1.00 43.51 H new ATOM 1150 N LYS A 71 -5.113 5.763 2.461 1.00 10.24 N ATOM 1151 CA LYS A 71 -5.804 6.734 1.601 1.00 55.23 C ATOM 1152 C LYS A 71 -5.448 8.186 1.996 1.00 34.41 C ATOM 1153 O LYS A 71 -5.008 8.969 1.148 1.00 34.31 O ATOM 1154 CB LYS A 71 -7.330 6.473 1.678 1.00 71.53 C ATOM 1155 CG LYS A 71 -7.749 5.090 1.116 1.00 25.32 C ATOM 1156 CD LYS A 71 -9.272 4.804 1.189 1.00 3.32 C ATOM 1157 CE LYS A 71 -10.109 5.539 0.115 1.00 13.21 C ATOM 1158 NZ LYS A 71 -10.076 7.022 0.246 1.00 43.32 N ATOM 0 H LYS A 71 -5.747 5.213 3.041 1.00 10.24 H new ATOM 0 HA LYS A 71 -5.475 6.607 0.570 1.00 55.23 H new ATOM 0 HB2 LYS A 71 -7.651 6.547 2.717 1.00 71.53 H new ATOM 0 HB3 LYS A 71 -7.853 7.254 1.126 1.00 71.53 H new ATOM 0 HG2 LYS A 71 -7.428 5.021 0.077 1.00 25.32 H new ATOM 0 HG3 LYS A 71 -7.219 4.312 1.665 1.00 25.32 H new ATOM 0 HD2 LYS A 71 -9.434 3.731 1.088 1.00 3.32 H new ATOM 0 HD3 LYS A 71 -9.637 5.090 2.176 1.00 3.32 H new ATOM 0 HE2 LYS A 71 -9.741 5.262 -0.873 1.00 13.21 H new ATOM 0 HE3 LYS A 71 -11.143 5.200 0.177 1.00 13.21 H new ATOM 0 HZ1 LYS A 71 -10.976 7.420 -0.089 1.00 43.32 H new ATOM 0 HZ2 LYS A 71 -9.934 7.279 1.244 1.00 43.32 H new ATOM 0 HZ3 LYS A 71 -9.295 7.404 -0.325 1.00 43.32 H new ATOM 1172 N THR A 72 -5.597 8.494 3.296 1.00 34.23 N ATOM 1173 CA THR A 72 -5.340 9.828 3.877 1.00 41.04 C ATOM 1174 C THR A 72 -3.863 10.242 3.699 1.00 22.14 C ATOM 1175 O THR A 72 -3.569 11.401 3.380 1.00 74.11 O ATOM 1176 CB THR A 72 -5.728 9.840 5.399 1.00 5.04 C ATOM 1177 OG1 THR A 72 -7.112 9.456 5.547 1.00 23.31 O ATOM 1178 CG2 THR A 72 -5.523 11.212 6.065 1.00 55.41 C ATOM 0 H THR A 72 -5.905 7.811 3.988 1.00 34.23 H new ATOM 0 HA THR A 72 -5.958 10.552 3.346 1.00 41.04 H new ATOM 0 HB THR A 72 -5.065 9.132 5.896 1.00 5.04 H new ATOM 0 HG1 THR A 72 -7.190 8.481 5.483 1.00 23.31 H new ATOM 0 HG21 THR A 72 -5.809 11.153 7.115 1.00 55.41 H new ATOM 0 HG22 THR A 72 -4.474 11.500 5.990 1.00 55.41 H new ATOM 0 HG23 THR A 72 -6.140 11.956 5.562 1.00 55.41 H new ATOM 1186 N PHE A 73 -2.948 9.266 3.886 1.00 52.03 N ATOM 1187 CA PHE A 73 -1.499 9.490 3.783 1.00 52.13 C ATOM 1188 C PHE A 73 -1.118 9.822 2.331 1.00 20.25 C ATOM 1189 O PHE A 73 -0.654 10.926 2.067 1.00 44.45 O ATOM 1190 CB PHE A 73 -0.712 8.249 4.285 1.00 72.44 C ATOM 1191 CG PHE A 73 0.806 8.448 4.391 1.00 25.43 C ATOM 1192 CD1 PHE A 73 1.358 9.126 5.477 1.00 70.22 C ATOM 1193 CD2 PHE A 73 1.675 7.957 3.415 1.00 70.21 C ATOM 1194 CE1 PHE A 73 2.725 9.304 5.583 1.00 3.50 C ATOM 1195 CE2 PHE A 73 3.037 8.134 3.525 1.00 74.40 C ATOM 1196 CZ PHE A 73 3.563 8.804 4.606 1.00 51.15 C ATOM 0 H PHE A 73 -3.198 8.303 4.112 1.00 52.03 H new ATOM 0 HA PHE A 73 -1.233 10.336 4.417 1.00 52.13 H new ATOM 0 HB2 PHE A 73 -1.096 7.965 5.265 1.00 72.44 H new ATOM 0 HB3 PHE A 73 -0.909 7.415 3.611 1.00 72.44 H new ATOM 0 HD1 PHE A 73 0.709 9.518 6.246 1.00 70.22 H new ATOM 0 HD2 PHE A 73 1.274 7.431 2.561 1.00 70.21 H new ATOM 0 HE1 PHE A 73 3.137 9.834 6.429 1.00 3.50 H new ATOM 0 HE2 PHE A 73 3.694 7.746 2.761 1.00 74.40 H new ATOM 0 HZ PHE A 73 4.631 8.939 4.690 1.00 51.15 H new ATOM 1206 N ILE A 74 -1.382 8.864 1.408 1.00 65.11 N ATOM 1207 CA ILE A 74 -0.967 8.938 -0.018 1.00 42.42 C ATOM 1208 C ILE A 74 -1.475 10.226 -0.706 1.00 41.13 C ATOM 1209 O ILE A 74 -0.712 10.881 -1.419 1.00 64.10 O ATOM 1210 CB ILE A 74 -1.417 7.638 -0.815 1.00 4.21 C ATOM 1211 CG1 ILE A 74 -0.579 6.394 -0.356 1.00 23.11 C ATOM 1212 CG2 ILE A 74 -1.340 7.815 -2.354 1.00 35.04 C ATOM 1213 CD1 ILE A 74 -0.877 5.091 -1.098 1.00 1.03 C ATOM 0 H ILE A 74 -1.893 8.011 1.633 1.00 65.11 H new ATOM 0 HA ILE A 74 0.122 8.980 -0.034 1.00 42.42 H new ATOM 0 HB ILE A 74 -2.467 7.470 -0.575 1.00 4.21 H new ATOM 0 HG12 ILE A 74 0.479 6.626 -0.476 1.00 23.11 H new ATOM 0 HG13 ILE A 74 -0.752 6.234 0.708 1.00 23.11 H new ATOM 0 HG21 ILE A 74 -1.659 6.894 -2.843 1.00 35.04 H new ATOM 0 HG22 ILE A 74 -1.992 8.633 -2.659 1.00 35.04 H new ATOM 0 HG23 ILE A 74 -0.314 8.042 -2.643 1.00 35.04 H new ATOM 0 HD11 ILE A 74 -0.245 4.295 -0.704 1.00 1.03 H new ATOM 0 HD12 ILE A 74 -1.925 4.824 -0.959 1.00 1.03 H new ATOM 0 HD13 ILE A 74 -0.674 5.223 -2.161 1.00 1.03 H new ATOM 1225 N THR A 75 -2.748 10.586 -0.450 1.00 21.12 N ATOM 1226 CA THR A 75 -3.385 11.787 -1.024 1.00 30.23 C ATOM 1227 C THR A 75 -2.602 13.074 -0.671 1.00 71.43 C ATOM 1228 O THR A 75 -2.198 13.829 -1.566 1.00 22.24 O ATOM 1229 CB THR A 75 -4.869 11.908 -0.537 1.00 43.21 C ATOM 1230 OG1 THR A 75 -5.615 10.767 -1.001 1.00 71.15 O ATOM 1231 CG2 THR A 75 -5.565 13.192 -1.022 1.00 1.42 C ATOM 0 H THR A 75 -3.364 10.051 0.162 1.00 21.12 H new ATOM 0 HA THR A 75 -3.374 11.676 -2.108 1.00 30.23 H new ATOM 0 HB THR A 75 -4.843 11.948 0.552 1.00 43.21 H new ATOM 0 HG1 THR A 75 -5.515 10.029 -0.364 1.00 71.15 H new ATOM 0 HG21 THR A 75 -6.589 13.213 -0.650 1.00 1.42 H new ATOM 0 HG22 THR A 75 -5.025 14.062 -0.648 1.00 1.42 H new ATOM 0 HG23 THR A 75 -5.575 13.211 -2.112 1.00 1.42 H new ATOM 1239 N GLN A 76 -2.355 13.276 0.636 1.00 20.51 N ATOM 1240 CA GLN A 76 -1.783 14.531 1.159 1.00 43.13 C ATOM 1241 C GLN A 76 -0.260 14.616 0.919 1.00 35.31 C ATOM 1242 O GLN A 76 0.246 15.682 0.551 1.00 65.11 O ATOM 1243 CB GLN A 76 -2.111 14.680 2.668 1.00 54.22 C ATOM 1244 CG GLN A 76 -3.623 14.709 2.979 1.00 42.41 C ATOM 1245 CD GLN A 76 -3.918 14.945 4.458 1.00 3.33 C ATOM 1246 OE1 GLN A 76 -4.103 16.078 4.897 1.00 44.34 O ATOM 1247 NE2 GLN A 76 -3.914 13.880 5.239 1.00 42.34 N ATOM 0 H GLN A 76 -2.545 12.579 1.356 1.00 20.51 H new ATOM 0 HA GLN A 76 -2.240 15.357 0.613 1.00 43.13 H new ATOM 0 HB2 GLN A 76 -1.654 13.854 3.213 1.00 54.22 H new ATOM 0 HB3 GLN A 76 -1.656 15.598 3.040 1.00 54.22 H new ATOM 0 HG2 GLN A 76 -4.096 15.494 2.389 1.00 42.41 H new ATOM 0 HG3 GLN A 76 -4.071 13.765 2.670 1.00 42.41 H new ATOM 0 HE21 GLN A 76 -3.757 12.955 4.839 1.00 42.34 H new ATOM 0 HE22 GLN A 76 -4.068 13.983 6.242 1.00 42.34 H new ATOM 1256 N THR A 77 0.454 13.488 1.131 1.00 4.45 N ATOM 1257 CA THR A 77 1.922 13.424 0.957 1.00 75.34 C ATOM 1258 C THR A 77 2.284 13.452 -0.542 1.00 34.53 C ATOM 1259 O THR A 77 1.515 12.967 -1.370 1.00 55.04 O ATOM 1260 CB THR A 77 2.557 12.147 1.640 1.00 25.33 C ATOM 1261 OG1 THR A 77 3.978 12.317 1.740 1.00 52.14 O ATOM 1262 CG2 THR A 77 2.276 10.823 0.877 1.00 42.21 C ATOM 0 H THR A 77 0.035 12.606 1.424 1.00 4.45 H new ATOM 0 HA THR A 77 2.340 14.300 1.453 1.00 75.34 H new ATOM 0 HB THR A 77 2.088 12.062 2.620 1.00 25.33 H new ATOM 0 HG1 THR A 77 4.370 11.538 2.187 1.00 52.14 H new ATOM 0 HG21 THR A 77 2.743 9.992 1.406 1.00 42.21 H new ATOM 0 HG22 THR A 77 1.200 10.658 0.819 1.00 42.21 H new ATOM 0 HG23 THR A 77 2.687 10.889 -0.130 1.00 42.21 H new ATOM 1270 N LYS A 78 3.445 14.031 -0.875 1.00 2.12 N ATOM 1271 CA LYS A 78 3.952 14.095 -2.268 1.00 40.52 C ATOM 1272 C LYS A 78 5.132 13.121 -2.461 1.00 53.41 C ATOM 1273 O LYS A 78 5.856 13.197 -3.472 1.00 51.14 O ATOM 1274 CB LYS A 78 4.349 15.557 -2.630 1.00 24.22 C ATOM 1275 CG LYS A 78 5.391 16.200 -1.691 1.00 0.14 C ATOM 1276 CD LYS A 78 5.770 17.639 -2.115 1.00 71.15 C ATOM 1277 CE LYS A 78 6.801 18.284 -1.173 1.00 71.14 C ATOM 1278 NZ LYS A 78 8.047 17.474 -1.046 1.00 41.24 N ATOM 0 H LYS A 78 4.064 14.470 -0.194 1.00 2.12 H new ATOM 0 HA LYS A 78 3.158 13.786 -2.948 1.00 40.52 H new ATOM 0 HB2 LYS A 78 4.741 15.570 -3.647 1.00 24.22 H new ATOM 0 HB3 LYS A 78 3.450 16.173 -2.627 1.00 24.22 H new ATOM 0 HG2 LYS A 78 4.997 16.217 -0.675 1.00 0.14 H new ATOM 0 HG3 LYS A 78 6.289 15.582 -1.674 1.00 0.14 H new ATOM 0 HD2 LYS A 78 6.171 17.621 -3.128 1.00 71.15 H new ATOM 0 HD3 LYS A 78 4.871 18.255 -2.139 1.00 71.15 H new ATOM 0 HE2 LYS A 78 7.054 19.278 -1.543 1.00 71.14 H new ATOM 0 HE3 LYS A 78 6.355 18.415 -0.187 1.00 71.14 H new ATOM 0 HZ1 LYS A 78 8.759 18.013 -0.512 1.00 41.24 H new ATOM 0 HZ2 LYS A 78 7.836 16.588 -0.544 1.00 41.24 H new ATOM 0 HZ3 LYS A 78 8.417 17.255 -1.993 1.00 41.24 H new ATOM 1292 N GLU A 79 5.297 12.183 -1.490 1.00 73.04 N ATOM 1293 CA GLU A 79 6.344 11.148 -1.537 1.00 4.43 C ATOM 1294 C GLU A 79 6.079 10.178 -2.692 1.00 54.33 C ATOM 1295 O GLU A 79 5.005 9.574 -2.782 1.00 5.32 O ATOM 1296 CB GLU A 79 6.432 10.381 -0.194 1.00 71.44 C ATOM 1297 CG GLU A 79 6.953 11.237 0.973 1.00 15.41 C ATOM 1298 CD GLU A 79 7.064 10.443 2.284 1.00 3.40 C ATOM 1299 OE1 GLU A 79 6.057 10.334 3.015 1.00 35.32 O ATOM 1300 OE2 GLU A 79 8.152 9.909 2.579 1.00 74.32 O ATOM 0 H GLU A 79 4.707 12.130 -0.660 1.00 73.04 H new ATOM 0 HA GLU A 79 7.302 11.641 -1.704 1.00 4.43 H new ATOM 0 HB2 GLU A 79 5.444 9.998 0.061 1.00 71.44 H new ATOM 0 HB3 GLU A 79 7.086 9.518 -0.321 1.00 71.44 H new ATOM 0 HG2 GLU A 79 7.931 11.642 0.714 1.00 15.41 H new ATOM 0 HG3 GLU A 79 6.286 12.086 1.122 1.00 15.41 H new ATOM 1307 N ARG A 80 7.064 10.077 -3.584 1.00 42.34 N ATOM 1308 CA ARG A 80 7.025 9.212 -4.764 1.00 44.41 C ATOM 1309 C ARG A 80 7.992 8.031 -4.551 1.00 54.40 C ATOM 1310 O ARG A 80 9.122 8.248 -4.081 1.00 2.22 O ATOM 1311 CB ARG A 80 7.391 10.051 -6.020 1.00 3.23 C ATOM 1312 CG ARG A 80 6.291 11.070 -6.420 1.00 14.42 C ATOM 1313 CD ARG A 80 6.803 12.230 -7.291 1.00 33.42 C ATOM 1314 NE ARG A 80 7.744 13.087 -6.541 1.00 75.20 N ATOM 1315 CZ ARG A 80 8.372 14.167 -7.033 1.00 74.33 C ATOM 1316 NH1 ARG A 80 8.186 14.556 -8.288 1.00 71.05 N ATOM 1317 NH2 ARG A 80 9.197 14.851 -6.258 1.00 1.21 N ATOM 0 H ARG A 80 7.932 10.607 -3.505 1.00 42.34 H new ATOM 0 HA ARG A 80 6.026 8.803 -4.917 1.00 44.41 H new ATOM 0 HB2 ARG A 80 8.322 10.587 -5.832 1.00 3.23 H new ATOM 0 HB3 ARG A 80 7.574 9.378 -6.857 1.00 3.23 H new ATOM 0 HG2 ARG A 80 5.502 10.545 -6.958 1.00 14.42 H new ATOM 0 HG3 ARG A 80 5.842 11.479 -5.515 1.00 14.42 H new ATOM 0 HD2 ARG A 80 7.297 11.832 -8.177 1.00 33.42 H new ATOM 0 HD3 ARG A 80 5.960 12.828 -7.637 1.00 33.42 H new ATOM 0 HE ARG A 80 7.932 12.838 -5.570 1.00 75.20 H new ATOM 0 HH11 ARG A 80 7.557 14.032 -8.897 1.00 71.05 H new ATOM 0 HH12 ARG A 80 8.672 15.379 -8.644 1.00 71.05 H new ATOM 0 HH21 ARG A 80 9.353 14.557 -5.294 1.00 1.21 H new ATOM 0 HH22 ARG A 80 9.678 15.673 -6.625 1.00 1.21 H new ATOM 1331 N PRO A 81 7.543 6.763 -4.841 1.00 11.42 N ATOM 1332 CA PRO A 81 8.385 5.546 -4.706 1.00 60.15 C ATOM 1333 C PRO A 81 9.655 5.622 -5.593 1.00 74.13 C ATOM 1334 O PRO A 81 9.564 5.784 -6.816 1.00 3.34 O ATOM 1335 CB PRO A 81 7.438 4.394 -5.137 1.00 2.54 C ATOM 1336 CG PRO A 81 6.053 4.947 -5.007 1.00 53.25 C ATOM 1337 CD PRO A 81 6.175 6.422 -5.319 1.00 0.30 C ATOM 0 HA PRO A 81 8.770 5.411 -3.695 1.00 60.15 H new ATOM 0 HB2 PRO A 81 7.641 4.081 -6.161 1.00 2.54 H new ATOM 0 HB3 PRO A 81 7.572 3.517 -4.503 1.00 2.54 H new ATOM 0 HG2 PRO A 81 5.368 4.455 -5.698 1.00 53.25 H new ATOM 0 HG3 PRO A 81 5.660 4.790 -4.002 1.00 53.25 H new ATOM 0 HD2 PRO A 81 6.061 6.618 -6.385 1.00 0.30 H new ATOM 0 HD3 PRO A 81 5.412 7.006 -4.804 1.00 0.30 H new ATOM 1345 N ARG A 82 10.818 5.494 -4.945 1.00 3.12 N ATOM 1346 CA ARG A 82 12.152 5.711 -5.542 1.00 3.02 C ATOM 1347 C ARG A 82 13.053 4.517 -5.188 1.00 11.22 C ATOM 1348 O ARG A 82 12.797 3.830 -4.205 1.00 13.54 O ATOM 1349 CB ARG A 82 12.725 7.032 -4.966 1.00 61.24 C ATOM 1350 CG ARG A 82 14.080 7.503 -5.546 1.00 45.52 C ATOM 1351 CD ARG A 82 14.606 8.759 -4.828 1.00 75.23 C ATOM 1352 NE ARG A 82 13.628 9.871 -4.853 1.00 64.50 N ATOM 1353 CZ ARG A 82 13.471 10.791 -3.878 1.00 42.51 C ATOM 1354 NH1 ARG A 82 14.213 10.768 -2.779 1.00 33.53 N ATOM 1355 NH2 ARG A 82 12.563 11.730 -4.014 1.00 71.23 N ATOM 0 H ARG A 82 10.865 5.229 -3.961 1.00 3.12 H new ATOM 0 HA ARG A 82 12.095 5.789 -6.628 1.00 3.02 H new ATOM 0 HB2 ARG A 82 11.991 7.822 -5.127 1.00 61.24 H new ATOM 0 HB3 ARG A 82 12.837 6.915 -3.888 1.00 61.24 H new ATOM 0 HG2 ARG A 82 14.812 6.700 -5.456 1.00 45.52 H new ATOM 0 HG3 ARG A 82 13.966 7.714 -6.609 1.00 45.52 H new ATOM 0 HD2 ARG A 82 14.844 8.511 -3.794 1.00 75.23 H new ATOM 0 HD3 ARG A 82 15.534 9.083 -5.300 1.00 75.23 H new ATOM 0 HE ARG A 82 13.025 9.948 -5.672 1.00 64.50 H new ATOM 0 HH11 ARG A 82 14.921 10.044 -2.657 1.00 33.53 H new ATOM 0 HH12 ARG A 82 14.076 11.474 -2.056 1.00 33.53 H new ATOM 0 HH21 ARG A 82 11.982 11.760 -4.852 1.00 71.23 H new ATOM 0 HH22 ARG A 82 12.438 12.429 -3.282 1.00 71.23 H new ATOM 1369 N LEU A 83 14.090 4.261 -6.000 1.00 33.20 N ATOM 1370 CA LEU A 83 15.044 3.156 -5.775 1.00 12.40 C ATOM 1371 C LEU A 83 15.805 3.370 -4.447 1.00 3.51 C ATOM 1372 O LEU A 83 16.682 4.239 -4.356 1.00 22.02 O ATOM 1373 CB LEU A 83 16.026 3.057 -6.971 1.00 4.14 C ATOM 1374 CG LEU A 83 17.096 1.916 -6.898 1.00 74.42 C ATOM 1375 CD1 LEU A 83 16.436 0.524 -6.899 1.00 23.42 C ATOM 1376 CD2 LEU A 83 18.135 2.048 -8.035 1.00 32.15 C ATOM 0 H LEU A 83 14.294 4.813 -6.833 1.00 33.20 H new ATOM 0 HA LEU A 83 14.496 2.217 -5.702 1.00 12.40 H new ATOM 0 HB2 LEU A 83 15.443 2.921 -7.882 1.00 4.14 H new ATOM 0 HB3 LEU A 83 16.548 4.009 -7.065 1.00 4.14 H new ATOM 0 HG LEU A 83 17.627 2.024 -5.952 1.00 74.42 H new ATOM 0 HD11 LEU A 83 17.207 -0.244 -6.848 1.00 23.42 H new ATOM 0 HD12 LEU A 83 15.776 0.434 -6.036 1.00 23.42 H new ATOM 0 HD13 LEU A 83 15.857 0.396 -7.814 1.00 23.42 H new ATOM 0 HD21 LEU A 83 18.864 1.242 -7.957 1.00 32.15 H new ATOM 0 HD22 LEU A 83 17.629 1.988 -8.999 1.00 32.15 H new ATOM 0 HD23 LEU A 83 18.645 3.008 -7.952 1.00 32.15 H new ATOM 1388 N GLY A 84 15.414 2.597 -3.418 1.00 44.45 N ATOM 1389 CA GLY A 84 16.003 2.687 -2.073 1.00 65.32 C ATOM 1390 C GLY A 84 15.142 3.473 -1.086 1.00 71.25 C ATOM 1391 O GLY A 84 15.421 3.484 0.119 1.00 30.31 O ATOM 0 H GLY A 84 14.680 1.893 -3.497 1.00 44.45 H new ATOM 0 HA2 GLY A 84 16.161 1.681 -1.685 1.00 65.32 H new ATOM 0 HA3 GLY A 84 16.983 3.158 -2.144 1.00 65.32 H new ATOM 1395 N LYS A 85 14.098 4.145 -1.606 1.00 35.44 N ATOM 1396 CA LYS A 85 13.129 4.914 -0.801 1.00 50.43 C ATOM 1397 C LYS A 85 11.707 4.392 -1.104 1.00 32.41 C ATOM 1398 O LYS A 85 11.145 4.673 -2.162 1.00 70.31 O ATOM 1399 CB LYS A 85 13.278 6.444 -1.109 1.00 30.15 C ATOM 1400 CG LYS A 85 12.381 7.412 -0.264 1.00 54.23 C ATOM 1401 CD LYS A 85 10.950 7.629 -0.848 1.00 41.43 C ATOM 1402 CE LYS A 85 10.035 8.444 0.080 1.00 24.41 C ATOM 1403 NZ LYS A 85 9.878 7.804 1.418 1.00 51.31 N ATOM 0 H LYS A 85 13.901 4.170 -2.606 1.00 35.44 H new ATOM 0 HA LYS A 85 13.321 4.781 0.264 1.00 50.43 H new ATOM 0 HB2 LYS A 85 14.321 6.724 -0.957 1.00 30.15 H new ATOM 0 HB3 LYS A 85 13.055 6.604 -2.164 1.00 30.15 H new ATOM 0 HG2 LYS A 85 12.292 7.017 0.748 1.00 54.23 H new ATOM 0 HG3 LYS A 85 12.880 8.378 -0.187 1.00 54.23 H new ATOM 0 HD2 LYS A 85 11.030 8.139 -1.808 1.00 41.43 H new ATOM 0 HD3 LYS A 85 10.492 6.659 -1.039 1.00 41.43 H new ATOM 0 HE2 LYS A 85 10.445 9.446 0.204 1.00 24.41 H new ATOM 0 HE3 LYS A 85 9.055 8.556 -0.385 1.00 24.41 H new ATOM 0 HZ1 LYS A 85 9.127 8.290 1.949 1.00 51.31 H new ATOM 0 HZ2 LYS A 85 9.624 6.803 1.296 1.00 51.31 H new ATOM 0 HZ3 LYS A 85 10.773 7.873 1.943 1.00 51.31 H new ATOM 1417 N ALA A 86 11.151 3.611 -0.180 1.00 54.44 N ATOM 1418 CA ALA A 86 9.741 3.179 -0.219 1.00 35.52 C ATOM 1419 C ALA A 86 8.860 4.227 0.476 1.00 62.24 C ATOM 1420 O ALA A 86 9.325 4.907 1.406 1.00 24.23 O ATOM 1421 CB ALA A 86 9.591 1.813 0.467 1.00 71.20 C ATOM 0 H ALA A 86 11.664 3.253 0.626 1.00 54.44 H new ATOM 0 HA ALA A 86 9.422 3.083 -1.257 1.00 35.52 H new ATOM 0 HB1 ALA A 86 8.547 1.502 0.434 1.00 71.20 H new ATOM 0 HB2 ALA A 86 10.206 1.077 -0.050 1.00 71.20 H new ATOM 0 HB3 ALA A 86 9.914 1.890 1.505 1.00 71.20 H new ATOM 1427 N VAL A 87 7.605 4.375 0.020 1.00 4.21 N ATOM 1428 CA VAL A 87 6.617 5.228 0.696 1.00 71.34 C ATOM 1429 C VAL A 87 6.070 4.446 1.905 1.00 70.05 C ATOM 1430 O VAL A 87 5.104 3.682 1.799 1.00 10.13 O ATOM 1431 CB VAL A 87 5.458 5.683 -0.275 1.00 74.45 C ATOM 1432 CG1 VAL A 87 4.413 6.579 0.443 1.00 63.31 C ATOM 1433 CG2 VAL A 87 6.037 6.403 -1.521 1.00 13.12 C ATOM 0 H VAL A 87 7.251 3.912 -0.817 1.00 4.21 H new ATOM 0 HA VAL A 87 7.097 6.148 1.030 1.00 71.34 H new ATOM 0 HB VAL A 87 4.939 4.782 -0.603 1.00 74.45 H new ATOM 0 HG11 VAL A 87 3.635 6.868 -0.263 1.00 63.31 H new ATOM 0 HG12 VAL A 87 3.966 6.026 1.269 1.00 63.31 H new ATOM 0 HG13 VAL A 87 4.904 7.473 0.828 1.00 63.31 H new ATOM 0 HG21 VAL A 87 5.221 6.708 -2.177 1.00 13.12 H new ATOM 0 HG22 VAL A 87 6.597 7.283 -1.205 1.00 13.12 H new ATOM 0 HG23 VAL A 87 6.700 5.725 -2.058 1.00 13.12 H new ATOM 1443 N SER A 88 6.764 4.615 3.041 1.00 41.23 N ATOM 1444 CA SER A 88 6.464 3.916 4.286 1.00 23.12 C ATOM 1445 C SER A 88 5.268 4.588 4.960 1.00 43.13 C ATOM 1446 O SER A 88 5.420 5.605 5.647 1.00 72.13 O ATOM 1447 CB SER A 88 7.709 3.910 5.213 1.00 33.51 C ATOM 1448 OG SER A 88 7.494 3.134 6.383 1.00 71.22 O ATOM 0 H SER A 88 7.558 5.251 3.115 1.00 41.23 H new ATOM 0 HA SER A 88 6.208 2.877 4.076 1.00 23.12 H new ATOM 0 HB2 SER A 88 8.566 3.515 4.668 1.00 33.51 H new ATOM 0 HB3 SER A 88 7.956 4.933 5.496 1.00 33.51 H new ATOM 0 HG SER A 88 8.300 3.153 6.941 1.00 71.22 H new ATOM 1454 N ILE A 89 4.078 4.051 4.668 1.00 1.15 N ATOM 1455 CA ILE A 89 2.819 4.512 5.260 1.00 34.32 C ATOM 1456 C ILE A 89 2.707 3.957 6.691 1.00 5.53 C ATOM 1457 O ILE A 89 2.567 2.739 6.851 1.00 30.13 O ATOM 1458 CB ILE A 89 1.585 4.027 4.420 1.00 42.02 C ATOM 1459 CG1 ILE A 89 1.747 4.433 2.925 1.00 72.34 C ATOM 1460 CG2 ILE A 89 0.250 4.554 5.016 1.00 24.34 C ATOM 1461 CD1 ILE A 89 0.710 3.835 2.006 1.00 61.41 C ATOM 0 H ILE A 89 3.962 3.280 4.010 1.00 1.15 H new ATOM 0 HA ILE A 89 2.819 5.602 5.270 1.00 34.32 H new ATOM 0 HB ILE A 89 1.548 2.939 4.469 1.00 42.02 H new ATOM 0 HG12 ILE A 89 1.701 5.519 2.848 1.00 72.34 H new ATOM 0 HG13 ILE A 89 2.737 4.131 2.583 1.00 72.34 H new ATOM 0 HG21 ILE A 89 -0.584 4.200 4.410 1.00 24.34 H new ATOM 0 HG22 ILE A 89 0.138 4.189 6.037 1.00 24.34 H new ATOM 0 HG23 ILE A 89 0.258 5.644 5.020 1.00 24.34 H new ATOM 0 HD11 ILE A 89 0.894 4.167 0.984 1.00 61.41 H new ATOM 0 HD12 ILE A 89 0.769 2.747 2.050 1.00 61.41 H new ATOM 0 HD13 ILE A 89 -0.283 4.158 2.319 1.00 61.41 H new ATOM 1473 N PRO A 90 2.799 4.813 7.750 1.00 74.45 N ATOM 1474 CA PRO A 90 2.592 4.351 9.122 1.00 43.15 C ATOM 1475 C PRO A 90 1.091 4.130 9.382 1.00 13.03 C ATOM 1476 O PRO A 90 0.299 5.086 9.358 1.00 22.14 O ATOM 1477 CB PRO A 90 3.202 5.494 9.971 1.00 62.42 C ATOM 1478 CG PRO A 90 3.017 6.735 9.141 1.00 32.04 C ATOM 1479 CD PRO A 90 3.083 6.279 7.691 1.00 13.11 C ATOM 0 HA PRO A 90 3.055 3.392 9.355 1.00 43.15 H new ATOM 0 HB2 PRO A 90 2.698 5.584 10.933 1.00 62.42 H new ATOM 0 HB3 PRO A 90 4.256 5.312 10.179 1.00 62.42 H new ATOM 0 HG2 PRO A 90 2.061 7.211 9.358 1.00 32.04 H new ATOM 0 HG3 PRO A 90 3.794 7.468 9.356 1.00 32.04 H new ATOM 0 HD2 PRO A 90 2.350 6.801 7.076 1.00 13.11 H new ATOM 0 HD3 PRO A 90 4.063 6.477 7.256 1.00 13.11 H new ATOM 1487 N LEU A 91 0.695 2.859 9.585 1.00 75.42 N ATOM 1488 CA LEU A 91 -0.695 2.526 9.891 1.00 62.10 C ATOM 1489 C LEU A 91 -0.959 2.864 11.361 1.00 44.13 C ATOM 1490 O LEU A 91 -0.679 2.063 12.264 1.00 32.22 O ATOM 1491 CB LEU A 91 -1.008 1.039 9.569 1.00 71.24 C ATOM 1492 CG LEU A 91 -0.807 0.608 8.078 1.00 2.33 C ATOM 1493 CD1 LEU A 91 -1.271 -0.843 7.858 1.00 21.01 C ATOM 1494 CD2 LEU A 91 -1.516 1.579 7.105 1.00 74.12 C ATOM 0 H LEU A 91 1.321 2.054 9.541 1.00 75.42 H new ATOM 0 HA LEU A 91 -1.363 3.115 9.262 1.00 62.10 H new ATOM 0 HB2 LEU A 91 -0.377 0.410 10.197 1.00 71.24 H new ATOM 0 HB3 LEU A 91 -2.041 0.836 9.850 1.00 71.24 H new ATOM 0 HG LEU A 91 0.260 0.655 7.861 1.00 2.33 H new ATOM 0 HD11 LEU A 91 -1.121 -1.119 6.814 1.00 21.01 H new ATOM 0 HD12 LEU A 91 -0.692 -1.511 8.496 1.00 21.01 H new ATOM 0 HD13 LEU A 91 -2.329 -0.929 8.107 1.00 21.01 H new ATOM 0 HD21 LEU A 91 -1.355 1.248 6.079 1.00 74.12 H new ATOM 0 HD22 LEU A 91 -2.585 1.592 7.318 1.00 74.12 H new ATOM 0 HD23 LEU A 91 -1.109 2.582 7.231 1.00 74.12 H new ATOM 1506 N ASP A 92 -1.416 4.107 11.571 1.00 61.30 N ATOM 1507 CA ASP A 92 -1.732 4.642 12.898 1.00 32.15 C ATOM 1508 C ASP A 92 -2.996 3.946 13.420 1.00 42.25 C ATOM 1509 O ASP A 92 -4.115 4.250 12.998 1.00 71.11 O ATOM 1510 CB ASP A 92 -1.890 6.185 12.833 1.00 11.35 C ATOM 1511 CG ASP A 92 -2.488 6.803 14.109 1.00 13.35 C ATOM 1512 OD1 ASP A 92 -1.860 6.701 15.186 1.00 44.43 O ATOM 1513 OD2 ASP A 92 -3.595 7.385 14.046 1.00 3.41 O ATOM 0 H ASP A 92 -1.577 4.773 10.816 1.00 61.30 H new ATOM 0 HA ASP A 92 -0.918 4.441 13.594 1.00 32.15 H new ATOM 0 HB2 ASP A 92 -0.914 6.633 12.647 1.00 11.35 H new ATOM 0 HB3 ASP A 92 -2.525 6.440 11.985 1.00 11.35 H new ATOM 1518 N LEU A 93 -2.778 2.958 14.289 1.00 25.34 N ATOM 1519 CA LEU A 93 -3.832 2.081 14.808 1.00 74.34 C ATOM 1520 C LEU A 93 -3.845 2.090 16.338 1.00 63.03 C ATOM 1521 O LEU A 93 -4.487 1.233 16.942 1.00 4.30 O ATOM 1522 CB LEU A 93 -3.611 0.637 14.279 1.00 40.01 C ATOM 1523 CG LEU A 93 -3.685 0.440 12.732 1.00 2.15 C ATOM 1524 CD1 LEU A 93 -3.451 -1.034 12.364 1.00 32.44 C ATOM 1525 CD2 LEU A 93 -5.020 0.964 12.150 1.00 53.13 C ATOM 0 H LEU A 93 -1.852 2.740 14.658 1.00 25.34 H new ATOM 0 HA LEU A 93 -4.798 2.449 14.462 1.00 74.34 H new ATOM 0 HB2 LEU A 93 -2.634 0.295 14.619 1.00 40.01 H new ATOM 0 HB3 LEU A 93 -4.354 -0.013 14.741 1.00 40.01 H new ATOM 0 HG LEU A 93 -2.889 1.033 12.281 1.00 2.15 H new ATOM 0 HD11 LEU A 93 -3.506 -1.152 11.282 1.00 32.44 H new ATOM 0 HD12 LEU A 93 -2.466 -1.344 12.713 1.00 32.44 H new ATOM 0 HD13 LEU A 93 -4.215 -1.652 12.836 1.00 32.44 H new ATOM 0 HD21 LEU A 93 -5.032 0.809 11.071 1.00 53.13 H new ATOM 0 HD22 LEU A 93 -5.851 0.425 12.604 1.00 53.13 H new ATOM 0 HD23 LEU A 93 -5.118 2.028 12.365 1.00 53.13 H new ATOM 1537 N GLY A 94 -3.169 3.082 16.953 1.00 24.11 N ATOM 1538 CA GLY A 94 -3.039 3.144 18.409 1.00 21.35 C ATOM 1539 C GLY A 94 -4.385 3.362 19.077 1.00 62.03 C ATOM 1540 O GLY A 94 -4.836 2.532 19.872 1.00 33.23 O ATOM 0 H GLY A 94 -2.708 3.846 16.458 1.00 24.11 H new ATOM 0 HA2 GLY A 94 -2.595 2.219 18.776 1.00 21.35 H new ATOM 0 HA3 GLY A 94 -2.361 3.953 18.681 1.00 21.35 H new ATOM 1544 N GLU A 95 -5.042 4.469 18.713 1.00 4.35 N ATOM 1545 CA GLU A 95 -6.394 4.792 19.187 1.00 23.42 C ATOM 1546 C GLU A 95 -7.456 4.170 18.243 1.00 22.43 C ATOM 1547 O GLU A 95 -8.591 3.926 18.660 1.00 22.02 O ATOM 1548 CB GLU A 95 -6.563 6.334 19.300 1.00 2.20 C ATOM 1549 CG GLU A 95 -7.724 6.792 20.210 1.00 43.11 C ATOM 1550 CD GLU A 95 -7.576 6.295 21.664 1.00 64.31 C ATOM 1551 OE1 GLU A 95 -6.779 6.887 22.430 1.00 43.11 O ATOM 1552 OE2 GLU A 95 -8.219 5.289 22.036 1.00 72.05 O ATOM 0 H GLU A 95 -4.651 5.168 18.081 1.00 4.35 H new ATOM 0 HA GLU A 95 -6.541 4.364 20.179 1.00 23.42 H new ATOM 0 HB2 GLU A 95 -5.634 6.761 19.677 1.00 2.20 H new ATOM 0 HB3 GLU A 95 -6.719 6.743 18.302 1.00 2.20 H new ATOM 0 HG2 GLU A 95 -7.775 7.881 20.206 1.00 43.11 H new ATOM 0 HG3 GLU A 95 -8.666 6.428 19.800 1.00 43.11 H new ATOM 1559 N ARG A 96 -7.062 3.902 16.966 1.00 52.42 N ATOM 1560 CA ARG A 96 -7.947 3.252 15.967 1.00 32.04 C ATOM 1561 C ARG A 96 -8.193 1.765 16.285 1.00 72.21 C ATOM 1562 O ARG A 96 -9.076 1.138 15.687 1.00 20.24 O ATOM 1563 CB ARG A 96 -7.401 3.383 14.520 1.00 43.52 C ATOM 1564 CG ARG A 96 -7.388 4.827 13.972 1.00 20.20 C ATOM 1565 CD ARG A 96 -7.300 4.876 12.434 1.00 12.31 C ATOM 1566 NE ARG A 96 -7.425 6.252 11.919 1.00 60.44 N ATOM 1567 CZ ARG A 96 -8.564 6.825 11.495 1.00 30.03 C ATOM 1568 NH1 ARG A 96 -9.722 6.171 11.524 1.00 64.21 N ATOM 1569 NH2 ARG A 96 -8.521 8.057 11.023 1.00 22.43 N ATOM 0 H ARG A 96 -6.134 4.128 16.608 1.00 52.42 H new ATOM 0 HA ARG A 96 -8.896 3.785 16.031 1.00 32.04 H new ATOM 0 HB2 ARG A 96 -6.386 2.987 14.490 1.00 43.52 H new ATOM 0 HB3 ARG A 96 -8.005 2.762 13.859 1.00 43.52 H new ATOM 0 HG2 ARG A 96 -8.291 5.343 14.297 1.00 20.20 H new ATOM 0 HG3 ARG A 96 -6.542 5.366 14.398 1.00 20.20 H new ATOM 0 HD2 ARG A 96 -6.349 4.453 12.111 1.00 12.31 H new ATOM 0 HD3 ARG A 96 -8.087 4.255 12.006 1.00 12.31 H new ATOM 0 HE ARG A 96 -6.576 6.816 11.881 1.00 60.44 H new ATOM 0 HH11 ARG A 96 -9.758 5.213 11.874 1.00 64.21 H new ATOM 0 HH12 ARG A 96 -10.574 6.627 11.197 1.00 64.21 H new ATOM 0 HH21 ARG A 96 -7.633 8.558 10.985 1.00 22.43 H new ATOM 0 HH22 ARG A 96 -9.376 8.508 10.697 1.00 22.43 H new ATOM 1583 N ALA A 97 -7.392 1.203 17.214 1.00 2.02 N ATOM 1584 CA ALA A 97 -7.599 -0.160 17.731 1.00 31.43 C ATOM 1585 C ALA A 97 -8.949 -0.267 18.460 1.00 21.31 C ATOM 1586 O ALA A 97 -9.612 -1.304 18.417 1.00 34.44 O ATOM 1587 CB ALA A 97 -6.439 -0.580 18.646 1.00 21.44 C ATOM 0 H ALA A 97 -6.589 1.680 17.623 1.00 2.02 H new ATOM 0 HA ALA A 97 -7.620 -0.846 16.885 1.00 31.43 H new ATOM 0 HB1 ALA A 97 -6.615 -1.590 19.016 1.00 21.44 H new ATOM 0 HB2 ALA A 97 -5.505 -0.556 18.084 1.00 21.44 H new ATOM 0 HB3 ALA A 97 -6.373 0.108 19.489 1.00 21.44 H new ATOM 1593 N SER A 98 -9.367 0.841 19.087 1.00 41.32 N ATOM 1594 CA SER A 98 -10.630 0.916 19.830 1.00 43.41 C ATOM 1595 C SER A 98 -11.846 1.130 18.886 1.00 43.32 C ATOM 1596 O SER A 98 -12.997 1.031 19.333 1.00 75.31 O ATOM 1597 CB SER A 98 -10.530 2.045 20.885 1.00 0.12 C ATOM 1598 OG SER A 98 -11.675 2.095 21.720 1.00 75.14 O ATOM 0 H SER A 98 -8.837 1.712 19.093 1.00 41.32 H new ATOM 0 HA SER A 98 -10.797 -0.036 20.335 1.00 43.41 H new ATOM 0 HB2 SER A 98 -9.641 1.891 21.497 1.00 0.12 H new ATOM 0 HB3 SER A 98 -10.407 3.003 20.380 1.00 0.12 H new ATOM 0 HG SER A 98 -12.447 1.729 21.239 1.00 75.14 H new ATOM 1604 N GLU A 99 -11.588 1.415 17.582 1.00 62.44 N ATOM 1605 CA GLU A 99 -12.661 1.626 16.583 1.00 13.55 C ATOM 1606 C GLU A 99 -13.258 0.293 16.104 1.00 35.44 C ATOM 1607 O GLU A 99 -14.456 0.222 15.830 1.00 14.43 O ATOM 1608 CB GLU A 99 -12.170 2.451 15.363 1.00 30.21 C ATOM 1609 CG GLU A 99 -11.728 3.888 15.695 1.00 64.25 C ATOM 1610 CD GLU A 99 -11.535 4.750 14.434 1.00 35.40 C ATOM 1611 OE1 GLU A 99 -10.673 4.413 13.599 1.00 34.05 O ATOM 1612 OE2 GLU A 99 -12.237 5.779 14.279 1.00 11.34 O ATOM 0 H GLU A 99 -10.646 1.503 17.202 1.00 62.44 H new ATOM 0 HA GLU A 99 -13.440 2.197 17.088 1.00 13.55 H new ATOM 0 HB2 GLU A 99 -11.335 1.926 14.899 1.00 30.21 H new ATOM 0 HB3 GLU A 99 -12.970 2.493 14.624 1.00 30.21 H new ATOM 0 HG2 GLU A 99 -12.473 4.354 16.340 1.00 64.25 H new ATOM 0 HG3 GLU A 99 -10.794 3.857 16.257 1.00 64.25 H new ATOM 1619 N TRP A 100 -12.420 -0.753 15.975 1.00 43.02 N ATOM 1620 CA TRP A 100 -12.885 -2.088 15.525 1.00 34.30 C ATOM 1621 C TRP A 100 -13.169 -3.011 16.733 1.00 54.21 C ATOM 1622 O TRP A 100 -13.652 -4.133 16.559 1.00 33.12 O ATOM 1623 CB TRP A 100 -11.886 -2.730 14.520 1.00 51.03 C ATOM 1624 CG TRP A 100 -10.523 -3.052 15.087 1.00 62.02 C ATOM 1625 CD1 TRP A 100 -9.501 -2.179 15.307 1.00 52.13 C ATOM 1626 CD2 TRP A 100 -10.032 -4.343 15.483 1.00 63.10 C ATOM 1627 NE1 TRP A 100 -8.420 -2.839 15.828 1.00 4.11 N ATOM 1628 CE2 TRP A 100 -8.717 -4.163 15.945 1.00 62.42 C ATOM 1629 CE3 TRP A 100 -10.582 -5.626 15.500 1.00 3.14 C ATOM 1630 CZ2 TRP A 100 -7.941 -5.215 16.418 1.00 42.04 C ATOM 1631 CZ3 TRP A 100 -9.812 -6.674 15.967 1.00 62.33 C ATOM 1632 CH2 TRP A 100 -8.503 -6.463 16.423 1.00 5.31 C ATOM 0 H TRP A 100 -11.421 -0.705 16.174 1.00 43.02 H new ATOM 0 HA TRP A 100 -13.826 -1.954 14.991 1.00 34.30 H new ATOM 0 HB2 TRP A 100 -12.326 -3.648 14.131 1.00 51.03 H new ATOM 0 HB3 TRP A 100 -11.760 -2.053 13.675 1.00 51.03 H new ATOM 0 HD1 TRP A 100 -9.538 -1.120 15.100 1.00 52.13 H new ATOM 0 HE1 TRP A 100 -7.533 -2.407 16.087 1.00 4.11 H new ATOM 0 HE3 TRP A 100 -11.591 -5.796 15.154 1.00 3.14 H new ATOM 0 HZ2 TRP A 100 -6.932 -5.054 16.768 1.00 42.04 H new ATOM 0 HZ3 TRP A 100 -10.225 -7.672 15.981 1.00 62.33 H new ATOM 0 HH2 TRP A 100 -7.927 -7.302 16.785 1.00 5.31 H new ATOM 1643 N ILE A 101 -12.837 -2.546 17.956 1.00 74.20 N ATOM 1644 CA ILE A 101 -13.378 -3.127 19.202 1.00 20.43 C ATOM 1645 C ILE A 101 -14.676 -2.355 19.523 1.00 14.11 C ATOM 1646 O ILE A 101 -14.629 -1.194 19.937 1.00 1.03 O ATOM 1647 CB ILE A 101 -12.342 -3.091 20.423 1.00 11.43 C ATOM 1648 CG1 ILE A 101 -11.294 -4.256 20.340 1.00 55.42 C ATOM 1649 CG2 ILE A 101 -13.051 -3.152 21.799 1.00 52.41 C ATOM 1650 CD1 ILE A 101 -10.380 -4.247 19.142 1.00 42.50 C ATOM 0 H ILE A 101 -12.195 -1.768 18.107 1.00 74.20 H new ATOM 0 HA ILE A 101 -13.578 -4.188 19.055 1.00 20.43 H new ATOM 0 HB ILE A 101 -11.824 -2.136 20.336 1.00 11.43 H new ATOM 0 HG12 ILE A 101 -10.679 -4.228 21.240 1.00 55.42 H new ATOM 0 HG13 ILE A 101 -11.833 -5.203 20.352 1.00 55.42 H new ATOM 0 HG21 ILE A 101 -12.306 -3.125 22.594 1.00 52.41 H new ATOM 0 HG22 ILE A 101 -13.722 -2.299 21.901 1.00 52.41 H new ATOM 0 HG23 ILE A 101 -13.625 -4.076 21.872 1.00 52.41 H new ATOM 0 HD11 ILE A 101 -9.702 -5.099 19.195 1.00 42.50 H new ATOM 0 HD12 ILE A 101 -10.974 -4.313 18.231 1.00 42.50 H new ATOM 0 HD13 ILE A 101 -9.802 -3.323 19.132 1.00 42.50 H new ATOM 1662 N ILE A 102 -15.828 -2.979 19.233 1.00 42.15 N ATOM 1663 CA ILE A 102 -17.157 -2.402 19.514 1.00 14.32 C ATOM 1664 C ILE A 102 -17.755 -3.093 20.753 1.00 64.03 C ATOM 1665 O ILE A 102 -18.240 -4.230 20.673 1.00 11.54 O ATOM 1666 CB ILE A 102 -18.119 -2.541 18.276 1.00 14.02 C ATOM 1667 CG1 ILE A 102 -17.477 -1.906 17.000 1.00 53.44 C ATOM 1668 CG2 ILE A 102 -19.507 -1.903 18.567 1.00 32.41 C ATOM 1669 CD1 ILE A 102 -17.249 -0.405 17.077 1.00 3.30 C ATOM 0 H ILE A 102 -15.867 -3.900 18.796 1.00 42.15 H new ATOM 0 HA ILE A 102 -17.043 -1.336 19.712 1.00 14.32 H new ATOM 0 HB ILE A 102 -18.271 -3.604 18.091 1.00 14.02 H new ATOM 0 HG12 ILE A 102 -16.521 -2.395 16.811 1.00 53.44 H new ATOM 0 HG13 ILE A 102 -18.118 -2.118 16.145 1.00 53.44 H new ATOM 0 HG21 ILE A 102 -20.149 -2.015 17.693 1.00 32.41 H new ATOM 0 HG22 ILE A 102 -19.965 -2.402 19.421 1.00 32.41 H new ATOM 0 HG23 ILE A 102 -19.381 -0.844 18.791 1.00 32.41 H new ATOM 0 HD11 ILE A 102 -16.801 -0.057 16.146 1.00 3.30 H new ATOM 0 HD12 ILE A 102 -18.202 0.100 17.232 1.00 3.30 H new ATOM 0 HD13 ILE A 102 -16.580 -0.181 17.908 1.00 3.30 H new ATOM 1681 N LEU A 103 -17.654 -2.417 21.908 1.00 61.55 N ATOM 1682 CA LEU A 103 -18.197 -2.901 23.192 1.00 43.24 C ATOM 1683 C LEU A 103 -19.284 -1.943 23.699 1.00 43.43 C ATOM 1684 O LEU A 103 -19.244 -0.737 23.425 1.00 71.21 O ATOM 1685 CB LEU A 103 -17.057 -3.035 24.242 1.00 61.14 C ATOM 1686 CG LEU A 103 -15.933 -4.076 23.924 1.00 23.54 C ATOM 1687 CD1 LEU A 103 -14.837 -4.072 25.012 1.00 33.23 C ATOM 1688 CD2 LEU A 103 -16.522 -5.491 23.728 1.00 61.34 C ATOM 0 H LEU A 103 -17.190 -1.512 21.980 1.00 61.55 H new ATOM 0 HA LEU A 103 -18.643 -3.884 23.039 1.00 43.24 H new ATOM 0 HB2 LEU A 103 -16.591 -2.057 24.366 1.00 61.14 H new ATOM 0 HB3 LEU A 103 -17.505 -3.299 25.200 1.00 61.14 H new ATOM 0 HG LEU A 103 -15.465 -3.778 22.986 1.00 23.54 H new ATOM 0 HD11 LEU A 103 -14.072 -4.806 24.760 1.00 33.23 H new ATOM 0 HD12 LEU A 103 -14.385 -3.082 25.069 1.00 33.23 H new ATOM 0 HD13 LEU A 103 -15.280 -4.325 25.975 1.00 33.23 H new ATOM 0 HD21 LEU A 103 -15.717 -6.193 23.508 1.00 61.34 H new ATOM 0 HD22 LEU A 103 -17.035 -5.801 24.638 1.00 61.34 H new ATOM 0 HD23 LEU A 103 -17.229 -5.479 22.899 1.00 61.34 H new ATOM 1700 N GLU A 104 -20.249 -2.504 24.443 1.00 63.30 N ATOM 1701 CA GLU A 104 -21.394 -1.779 25.022 1.00 70.53 C ATOM 1702 C GLU A 104 -21.555 -2.190 26.512 1.00 32.50 C ATOM 1703 O GLU A 104 -21.242 -1.374 27.404 1.00 51.23 O ATOM 1704 CB GLU A 104 -22.689 -2.041 24.182 1.00 22.32 C ATOM 1705 CG GLU A 104 -22.858 -3.483 23.644 1.00 42.55 C ATOM 1706 CD GLU A 104 -24.187 -3.698 22.897 1.00 42.42 C ATOM 1707 OE1 GLU A 104 -24.296 -3.279 21.729 1.00 74.32 O ATOM 1708 OE2 GLU A 104 -25.131 -4.280 23.483 1.00 53.21 O ATOM 0 H GLU A 104 -20.256 -3.499 24.665 1.00 63.30 H new ATOM 0 HA GLU A 104 -21.215 -0.704 24.988 1.00 70.53 H new ATOM 0 HB2 GLU A 104 -23.555 -1.798 24.798 1.00 22.32 H new ATOM 0 HB3 GLU A 104 -22.697 -1.354 23.336 1.00 22.32 H new ATOM 0 HG2 GLU A 104 -22.030 -3.713 22.974 1.00 42.55 H new ATOM 0 HG3 GLU A 104 -22.799 -4.184 24.476 1.00 42.55 H new TER 1715 GLU A 104