USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 121 ASN :FLIP amide:sc= -7.04! C(o=-7.5!,f=-5.6!) USER MOD Set 1.2: A 140 THR OG1 : rot -176:sc= 1.44 USER MOD Set 2.1: A 124 ASN : amide:sc= 0.0348 K(o=-5.8,f=-11!) USER MOD Set 2.2: A 126 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 127 ASN : amide:sc= -2.9 K(o=-5.8,f=-15!) USER MOD Set 2.4: A 128 HIS : no HE2:sc= -2.93 K(o=-5.8,f=-9.7!) USER MOD Set 3.1: A 112 HIS :FLIP no HD1:sc= -3.7 F(o=-7.2,f=-6.4) USER MOD Set 3.2: A 151 ASN :FLIP amide:sc= -2.7! C(o=-9.5!,f=-6.4!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 84:sc= -2.3! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HE2:sc= -0.432 K(o=-0.43,f=-1.7) USER MOD Single : A 108 GLN : amide:sc= -0.0383 K(o=-0.038,f=-0.83) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0.00464 USER MOD Single : A 132 GLN : amide:sc= -0.376 K(o=-0.38,f=-2.2) USER MOD Single : A 134 GLN : amide:sc= -2 K(o=-2,f=-4.8!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 MET CE :methyl -124:sc= -0.175 (180deg=-3.33!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ -110:sc= -0.0886 (180deg=-2.24!) USER MOD Single : A 143 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 69 13.227 0.459 5.463 1.00 0.00 N ATOM 2 CA VAL A 69 11.867 0.267 4.895 1.00 0.00 C ATOM 3 C VAL A 69 11.047 -0.702 5.745 1.00 0.00 C ATOM 4 O VAL A 69 11.496 -1.148 6.801 1.00 0.00 O ATOM 5 CB VAL A 69 11.936 -0.261 3.449 1.00 0.00 C ATOM 6 CG1 VAL A 69 12.647 0.738 2.550 1.00 0.00 C ATOM 7 CG2 VAL A 69 12.629 -1.616 3.403 1.00 0.00 C ATOM 0 HA VAL A 69 11.380 1.242 4.895 1.00 0.00 H new ATOM 0 HB VAL A 69 10.918 -0.388 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.686 0.348 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.104 1.683 2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.661 0.900 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.667 -1.970 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 69 13.643 -1.519 3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.074 -2.329 4.012 1.00 0.00 H new ATOM 17 N ARG A 70 9.842 -1.016 5.281 1.00 0.00 N ATOM 18 CA ARG A 70 8.955 -1.922 5.999 1.00 0.00 C ATOM 19 C ARG A 70 7.984 -2.598 5.039 1.00 0.00 C ATOM 20 O ARG A 70 7.155 -1.936 4.420 1.00 0.00 O ATOM 21 CB ARG A 70 8.183 -1.150 7.064 1.00 0.00 C ATOM 22 CG ARG A 70 8.352 -1.713 8.460 1.00 0.00 C ATOM 23 CD ARG A 70 7.938 -3.174 8.525 1.00 0.00 C ATOM 24 NE ARG A 70 7.514 -3.566 9.868 1.00 0.00 N ATOM 25 CZ ARG A 70 8.357 -3.819 10.867 1.00 0.00 C ATOM 26 NH1 ARG A 70 9.668 -3.723 10.682 1.00 0.00 N ATOM 27 NH2 ARG A 70 7.887 -4.169 12.056 1.00 0.00 N ATOM 0 H ARG A 70 9.457 -0.655 4.408 1.00 0.00 H new ATOM 0 HA ARG A 70 9.558 -2.694 6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.512 -0.111 7.058 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.124 -1.151 6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.392 -1.614 8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.754 -1.133 9.162 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.124 -3.351 7.822 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.772 -3.801 8.211 1.00 0.00 H new ATOM 0 HE ARG A 70 6.514 -3.651 10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.036 -3.454 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.307 -3.918 11.452 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.881 -4.244 12.205 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.532 -4.363 12.822 1.00 0.00 H new ATOM 41 N LEU A 71 8.090 -3.915 4.910 1.00 0.00 N ATOM 42 CA LEU A 71 7.214 -4.650 4.004 1.00 0.00 C ATOM 43 C LEU A 71 5.948 -5.124 4.716 1.00 0.00 C ATOM 44 O LEU A 71 5.964 -5.426 5.909 1.00 0.00 O ATOM 45 CB LEU A 71 7.964 -5.832 3.365 1.00 0.00 C ATOM 46 CG LEU A 71 7.702 -7.219 3.972 1.00 0.00 C ATOM 47 CD1 LEU A 71 7.159 -8.167 2.914 1.00 0.00 C ATOM 48 CD2 LEU A 71 8.972 -7.781 4.592 1.00 0.00 C ATOM 0 H LEU A 71 8.765 -4.491 5.414 1.00 0.00 H new ATOM 0 HA LEU A 71 6.907 -3.970 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.705 -5.868 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.033 -5.630 3.425 1.00 0.00 H new ATOM 0 HG LEU A 71 6.955 -7.115 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.979 -9.145 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.224 -7.772 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.884 -8.265 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.766 -8.764 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.742 -7.871 3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.320 -7.112 5.379 1.00 0.00 H new ATOM 60 N ILE A 72 4.857 -5.191 3.963 1.00 0.00 N ATOM 61 CA ILE A 72 3.573 -5.630 4.493 1.00 0.00 C ATOM 62 C ILE A 72 2.945 -6.658 3.560 1.00 0.00 C ATOM 63 O ILE A 72 2.646 -6.354 2.407 1.00 0.00 O ATOM 64 CB ILE A 72 2.608 -4.443 4.663 1.00 0.00 C ATOM 65 CG1 ILE A 72 3.342 -3.258 5.297 1.00 0.00 C ATOM 66 CG2 ILE A 72 1.398 -4.846 5.496 1.00 0.00 C ATOM 67 CD1 ILE A 72 3.721 -3.480 6.747 1.00 0.00 C ATOM 0 H ILE A 72 4.837 -4.944 2.974 1.00 0.00 H new ATOM 0 HA ILE A 72 3.751 -6.079 5.470 1.00 0.00 H new ATOM 0 HB ILE A 72 2.247 -4.140 3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.245 -3.052 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.711 -2.372 5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.729 -3.992 5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.870 -5.660 5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.728 -5.175 6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.237 -2.598 7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.821 -3.656 7.336 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.379 -4.346 6.823 1.00 0.00 H new ATOM 79 N GLN A 73 2.754 -7.876 4.055 1.00 0.00 N ATOM 80 CA GLN A 73 2.176 -8.934 3.245 1.00 0.00 C ATOM 81 C GLN A 73 0.743 -9.219 3.658 1.00 0.00 C ATOM 82 O GLN A 73 0.479 -9.619 4.791 1.00 0.00 O ATOM 83 CB GLN A 73 3.016 -10.207 3.359 1.00 0.00 C ATOM 84 CG GLN A 73 4.229 -10.217 2.444 1.00 0.00 C ATOM 85 CD GLN A 73 4.467 -11.571 1.804 1.00 0.00 C ATOM 86 OE1 GLN A 73 5.180 -12.412 2.352 1.00 0.00 O ATOM 87 NE2 GLN A 73 3.868 -11.788 0.638 1.00 0.00 N ATOM 0 H GLN A 73 2.991 -8.151 5.008 1.00 0.00 H new ATOM 0 HA GLN A 73 2.172 -8.599 2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.348 -10.322 4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.389 -11.068 3.128 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.096 -9.469 1.663 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.112 -9.929 3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.286 -11.062 0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.990 -12.681 0.160 1.00 0.00 H new ATOM 96 N PHE A 74 -0.183 -9.021 2.727 1.00 0.00 N ATOM 97 CA PHE A 74 -1.588 -9.273 3.001 1.00 0.00 C ATOM 98 C PHE A 74 -2.232 -10.057 1.862 1.00 0.00 C ATOM 99 O PHE A 74 -1.584 -10.356 0.858 1.00 0.00 O ATOM 100 CB PHE A 74 -2.345 -7.963 3.237 1.00 0.00 C ATOM 101 CG PHE A 74 -2.354 -7.038 2.053 1.00 0.00 C ATOM 102 CD1 PHE A 74 -3.065 -7.359 0.907 1.00 0.00 C ATOM 103 CD2 PHE A 74 -1.654 -5.845 2.090 1.00 0.00 C ATOM 104 CE1 PHE A 74 -3.076 -6.505 -0.179 1.00 0.00 C ATOM 105 CE2 PHE A 74 -1.661 -4.989 1.008 1.00 0.00 C ATOM 106 CZ PHE A 74 -2.373 -5.318 -0.129 1.00 0.00 C ATOM 0 H PHE A 74 0.014 -8.689 1.783 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.646 -9.872 3.910 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.374 -8.195 3.511 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.898 -7.445 4.086 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.616 -8.287 0.863 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.096 -5.581 2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.634 -6.766 -1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.110 -4.061 1.050 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.380 -4.649 -0.976 1.00 0.00 H new ATOM 116 N GLU A 75 -3.508 -10.394 2.028 1.00 0.00 N ATOM 117 CA GLU A 75 -4.237 -11.154 1.017 1.00 0.00 C ATOM 118 C GLU A 75 -5.260 -10.291 0.288 1.00 0.00 C ATOM 119 O GLU A 75 -6.088 -9.630 0.914 1.00 0.00 O ATOM 120 CB GLU A 75 -4.954 -12.345 1.661 1.00 0.00 C ATOM 121 CG GLU A 75 -5.443 -12.082 3.077 1.00 0.00 C ATOM 122 CD GLU A 75 -6.231 -13.245 3.647 1.00 0.00 C ATOM 123 OE1 GLU A 75 -7.380 -13.456 3.208 1.00 0.00 O ATOM 124 OE2 GLU A 75 -5.696 -13.944 4.534 1.00 0.00 O ATOM 0 H GLU A 75 -4.058 -10.153 2.852 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.505 -11.508 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.805 -12.623 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.277 -13.199 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.588 -11.877 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.067 -11.188 3.082 1.00 0.00 H new ATOM 244 N GLY A 83 -10.285 -1.999 2.112 1.00 0.00 N ATOM 245 CA GLY A 83 -10.513 -0.663 1.598 1.00 0.00 C ATOM 246 C GLY A 83 -9.431 0.309 2.025 1.00 0.00 C ATOM 247 O GLY A 83 -9.521 0.916 3.092 1.00 0.00 O ATOM 0 HA2 GLY A 83 -10.559 -0.698 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.481 -0.302 1.946 1.00 0.00 H new ATOM 251 N ILE A 84 -8.402 0.449 1.196 1.00 0.00 N ATOM 252 CA ILE A 84 -7.296 1.348 1.503 1.00 0.00 C ATOM 253 C ILE A 84 -6.941 2.223 0.304 1.00 0.00 C ATOM 254 O ILE A 84 -7.108 1.816 -0.845 1.00 0.00 O ATOM 255 CB ILE A 84 -6.048 0.558 1.949 1.00 0.00 C ATOM 256 CG1 ILE A 84 -5.519 -0.310 0.803 1.00 0.00 C ATOM 257 CG2 ILE A 84 -6.378 -0.302 3.162 1.00 0.00 C ATOM 258 CD1 ILE A 84 -4.034 -0.150 0.560 1.00 0.00 C ATOM 0 H ILE A 84 -8.311 -0.047 0.309 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.623 1.990 2.321 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.268 1.268 2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.733 -1.356 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.058 -0.059 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.490 -0.855 3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.708 0.336 3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.172 -1.003 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.729 -0.794 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.816 0.888 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.486 -0.429 1.460 1.00 0.00 H new ATOM 270 N THR A 85 -6.455 3.429 0.580 1.00 0.00 N ATOM 271 CA THR A 85 -6.080 4.366 -0.472 1.00 0.00 C ATOM 272 C THR A 85 -4.865 5.191 -0.054 1.00 0.00 C ATOM 273 O THR A 85 -4.584 5.338 1.135 1.00 0.00 O ATOM 274 CB THR A 85 -7.258 5.288 -0.800 1.00 0.00 C ATOM 275 OG1 THR A 85 -8.348 4.544 -1.315 1.00 0.00 O ATOM 276 CG2 THR A 85 -6.921 6.363 -1.810 1.00 0.00 C ATOM 0 H THR A 85 -6.311 3.781 1.527 1.00 0.00 H new ATOM 0 HA THR A 85 -5.817 3.796 -1.363 1.00 0.00 H new ATOM 0 HB THR A 85 -7.515 5.769 0.144 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.091 5.150 -1.517 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.802 6.978 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.117 6.988 -1.422 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.601 5.898 -2.743 1.00 0.00 H new ATOM 284 N LEU A 86 -4.144 5.724 -1.037 1.00 0.00 N ATOM 285 CA LEU A 86 -2.960 6.530 -0.760 1.00 0.00 C ATOM 286 C LEU A 86 -2.944 7.800 -1.604 1.00 0.00 C ATOM 287 O LEU A 86 -3.459 7.826 -2.722 1.00 0.00 O ATOM 288 CB LEU A 86 -1.686 5.720 -1.016 1.00 0.00 C ATOM 289 CG LEU A 86 -1.491 5.257 -2.460 1.00 0.00 C ATOM 290 CD1 LEU A 86 -0.091 4.696 -2.658 1.00 0.00 C ATOM 291 CD2 LEU A 86 -2.540 4.218 -2.826 1.00 0.00 C ATOM 0 H LEU A 86 -4.358 5.613 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.996 6.817 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.826 6.323 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.695 4.844 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.610 6.117 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.028 4.372 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.645 5.467 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.058 3.846 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.390 3.897 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.449 3.359 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.534 4.653 -2.723 1.00 0.00 H new ATOM 303 N LYS A 87 -2.345 8.849 -1.053 1.00 0.00 N ATOM 304 CA LYS A 87 -2.249 10.131 -1.739 1.00 0.00 C ATOM 305 C LYS A 87 -0.809 10.632 -1.737 1.00 0.00 C ATOM 306 O LYS A 87 -0.076 10.437 -0.768 1.00 0.00 O ATOM 307 CB LYS A 87 -3.161 11.159 -1.070 1.00 0.00 C ATOM 308 CG LYS A 87 -4.640 10.828 -1.184 1.00 0.00 C ATOM 309 CD LYS A 87 -5.405 11.249 0.060 1.00 0.00 C ATOM 310 CE LYS A 87 -6.819 10.690 0.061 1.00 0.00 C ATOM 311 NZ LYS A 87 -7.797 11.653 -0.516 1.00 0.00 N ATOM 0 H LYS A 87 -1.916 8.836 -0.128 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.569 9.993 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.895 11.236 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.981 12.137 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.059 11.329 -2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.763 9.756 -1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.876 10.904 0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.443 12.337 0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.843 9.762 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.111 10.443 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.749 11.234 -0.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.793 12.529 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.533 11.869 -1.499 1.00 0.00 H new ATOM 325 N LEU A 88 -0.403 11.274 -2.827 1.00 0.00 N ATOM 326 CA LEU A 88 0.953 11.795 -2.938 1.00 0.00 C ATOM 327 C LEU A 88 0.950 13.249 -3.396 1.00 0.00 C ATOM 328 O LEU A 88 -0.010 13.719 -4.006 1.00 0.00 O ATOM 329 CB LEU A 88 1.779 10.940 -3.900 1.00 0.00 C ATOM 330 CG LEU A 88 1.023 10.418 -5.124 1.00 0.00 C ATOM 331 CD1 LEU A 88 1.994 9.963 -6.203 1.00 0.00 C ATOM 332 CD2 LEU A 88 0.100 9.277 -4.728 1.00 0.00 C ATOM 0 H LEU A 88 -0.991 11.445 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 88 1.408 11.752 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.631 11.528 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.180 10.088 -3.350 1.00 0.00 H new ATOM 0 HG LEU A 88 0.420 11.232 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.435 9.596 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.619 10.802 -6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.624 9.164 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.431 8.916 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.688 8.465 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.620 9.631 -3.990 1.00 0.00 H new ATOM 344 N ASN A 89 2.033 13.956 -3.092 1.00 0.00 N ATOM 345 CA ASN A 89 2.163 15.360 -3.466 1.00 0.00 C ATOM 346 C ASN A 89 2.858 15.499 -4.818 1.00 0.00 C ATOM 347 O ASN A 89 2.977 14.528 -5.566 1.00 0.00 O ATOM 348 CB ASN A 89 2.947 16.124 -2.396 1.00 0.00 C ATOM 349 CG ASN A 89 2.522 15.754 -0.988 1.00 0.00 C ATOM 350 OD1 ASN A 89 1.689 16.428 -0.380 1.00 0.00 O ATOM 351 ND2 ASN A 89 3.093 14.676 -0.461 1.00 0.00 N ATOM 0 H ASN A 89 2.835 13.579 -2.587 1.00 0.00 H new ATOM 0 HA ASN A 89 1.162 15.784 -3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.011 15.921 -2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.808 17.195 -2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.846 14.378 0.483 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.778 14.147 -1.000 1.00 0.00 H new ATOM 358 N GLU A 90 3.318 16.709 -5.126 1.00 0.00 N ATOM 359 CA GLU A 90 4.003 16.971 -6.388 1.00 0.00 C ATOM 360 C GLU A 90 5.169 16.006 -6.584 1.00 0.00 C ATOM 361 O GLU A 90 5.517 15.657 -7.711 1.00 0.00 O ATOM 362 CB GLU A 90 4.508 18.414 -6.428 1.00 0.00 C ATOM 363 CG GLU A 90 5.434 18.767 -5.275 1.00 0.00 C ATOM 364 CD GLU A 90 5.435 20.250 -4.961 1.00 0.00 C ATOM 365 OE1 GLU A 90 5.786 21.047 -5.857 1.00 0.00 O ATOM 366 OE2 GLU A 90 5.083 20.615 -3.819 1.00 0.00 O ATOM 0 H GLU A 90 3.229 17.523 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 90 3.290 16.821 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.033 18.580 -7.369 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.653 19.090 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.131 18.212 -4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.448 18.450 -5.518 1.00 0.00 H new ATOM 373 N LYS A 91 5.766 15.576 -5.477 1.00 0.00 N ATOM 374 CA LYS A 91 6.889 14.648 -5.524 1.00 0.00 C ATOM 375 C LYS A 91 6.448 13.277 -6.030 1.00 0.00 C ATOM 376 O LYS A 91 7.272 12.474 -6.468 1.00 0.00 O ATOM 377 CB LYS A 91 7.511 14.502 -4.135 1.00 0.00 C ATOM 378 CG LYS A 91 8.581 15.538 -3.834 1.00 0.00 C ATOM 379 CD LYS A 91 9.727 15.462 -4.830 1.00 0.00 C ATOM 380 CE LYS A 91 10.972 16.157 -4.301 1.00 0.00 C ATOM 381 NZ LYS A 91 11.690 16.903 -5.372 1.00 0.00 N ATOM 0 H LYS A 91 5.490 15.856 -4.536 1.00 0.00 H new ATOM 0 HA LYS A 91 7.629 15.053 -6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.724 14.576 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.945 13.507 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.141 16.535 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.964 15.384 -2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.955 14.418 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.424 15.922 -5.771 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.692 16.846 -3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.642 15.417 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.532 17.362 -4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.980 16.242 -6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.060 17.626 -5.774 1.00 0.00 H new ATOM 395 N GLN A 92 5.147 13.012 -5.959 1.00 0.00 N ATOM 396 CA GLN A 92 4.601 11.734 -6.402 1.00 0.00 C ATOM 397 C GLN A 92 5.335 10.576 -5.728 1.00 0.00 C ATOM 398 O GLN A 92 6.006 9.780 -6.387 1.00 0.00 O ATOM 399 CB GLN A 92 4.703 11.610 -7.923 1.00 0.00 C ATOM 400 CG GLN A 92 3.933 12.683 -8.675 1.00 0.00 C ATOM 401 CD GLN A 92 4.090 12.568 -10.179 1.00 0.00 C ATOM 402 OE1 GLN A 92 5.205 12.476 -10.692 1.00 0.00 O ATOM 403 NE2 GLN A 92 2.970 12.573 -10.893 1.00 0.00 N ATOM 0 H GLN A 92 4.451 13.665 -5.599 1.00 0.00 H new ATOM 0 HA GLN A 92 3.550 11.692 -6.117 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.753 11.657 -8.213 1.00 0.00 H new ATOM 0 HB3 GLN A 92 4.333 10.630 -8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.876 12.614 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.277 13.666 -8.352 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.067 12.651 -10.425 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.013 12.499 -11.909 1.00 0.00 H new ATOM 412 N SER A 93 5.220 10.506 -4.407 1.00 0.00 N ATOM 413 CA SER A 93 5.888 9.465 -3.629 1.00 0.00 C ATOM 414 C SER A 93 4.906 8.450 -3.051 1.00 0.00 C ATOM 415 O SER A 93 5.240 7.711 -2.125 1.00 0.00 O ATOM 416 CB SER A 93 6.663 10.117 -2.498 1.00 0.00 C ATOM 417 OG SER A 93 8.062 9.972 -2.678 1.00 0.00 O ATOM 0 H SER A 93 4.669 11.159 -3.849 1.00 0.00 H new ATOM 0 HA SER A 93 6.557 8.925 -4.299 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.409 11.176 -2.444 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.369 9.670 -1.548 1.00 0.00 H new ATOM 0 HG SER A 93 8.534 10.403 -1.935 1.00 0.00 H new ATOM 423 N CYS A 94 3.703 8.424 -3.600 1.00 0.00 N ATOM 424 CA CYS A 94 2.654 7.506 -3.149 1.00 0.00 C ATOM 425 C CYS A 94 2.633 7.384 -1.629 1.00 0.00 C ATOM 426 O CYS A 94 3.076 6.379 -1.072 1.00 0.00 O ATOM 427 CB CYS A 94 2.811 6.114 -3.782 1.00 0.00 C ATOM 428 SG CYS A 94 4.458 5.748 -4.440 1.00 0.00 S ATOM 0 H CYS A 94 3.420 9.033 -4.368 1.00 0.00 H new ATOM 0 HA CYS A 94 1.704 7.930 -3.476 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.561 5.362 -3.034 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.085 6.015 -4.589 1.00 0.00 H new ATOM 0 HG CYS A 94 5.222 5.315 -3.481 1.00 0.00 H new ATOM 434 N THR A 95 2.110 8.407 -0.964 1.00 0.00 N ATOM 435 CA THR A 95 2.027 8.399 0.487 1.00 0.00 C ATOM 436 C THR A 95 0.680 7.851 0.935 1.00 0.00 C ATOM 437 O THR A 95 -0.369 8.386 0.578 1.00 0.00 O ATOM 438 CB THR A 95 2.243 9.810 1.046 1.00 0.00 C ATOM 439 OG1 THR A 95 3.626 10.113 1.116 1.00 0.00 O ATOM 440 CG2 THR A 95 1.660 10.016 2.431 1.00 0.00 C ATOM 0 H THR A 95 1.739 9.248 -1.406 1.00 0.00 H new ATOM 0 HA THR A 95 2.813 7.752 0.875 1.00 0.00 H new ATOM 0 HB THR A 95 1.722 10.471 0.354 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.745 11.018 1.473 1.00 0.00 H new ATOM 0 HG21 THR A 95 1.853 11.038 2.759 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.585 9.841 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.123 9.318 3.128 1.00 0.00 H new ATOM 448 N VAL A 96 0.718 6.786 1.726 1.00 0.00 N ATOM 449 CA VAL A 96 -0.494 6.160 2.238 1.00 0.00 C ATOM 450 C VAL A 96 -1.484 7.221 2.726 1.00 0.00 C ATOM 451 O VAL A 96 -1.080 8.267 3.236 1.00 0.00 O ATOM 452 CB VAL A 96 -0.150 5.184 3.378 1.00 0.00 C ATOM 453 CG1 VAL A 96 -1.408 4.643 4.038 1.00 0.00 C ATOM 454 CG2 VAL A 96 0.721 4.051 2.847 1.00 0.00 C ATOM 0 H VAL A 96 1.582 6.335 2.028 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.962 5.601 1.428 1.00 0.00 H new ATOM 0 HB VAL A 96 0.409 5.726 4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.132 3.957 4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.986 5.469 4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.009 4.114 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.960 3.365 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.183 3.515 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.643 4.463 2.436 1.00 0.00 H new ATOM 464 N ALA A 97 -2.775 6.964 2.537 1.00 0.00 N ATOM 465 CA ALA A 97 -3.803 7.922 2.931 1.00 0.00 C ATOM 466 C ALA A 97 -4.835 7.320 3.878 1.00 0.00 C ATOM 467 O ALA A 97 -4.926 7.714 5.040 1.00 0.00 O ATOM 468 CB ALA A 97 -4.497 8.472 1.695 1.00 0.00 C ATOM 0 H ALA A 97 -3.133 6.106 2.116 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.303 8.727 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.263 9.187 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.766 8.970 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.960 7.654 1.143 1.00 0.00 H new ATOM 474 N ARG A 98 -5.633 6.388 3.373 1.00 0.00 N ATOM 475 CA ARG A 98 -6.675 5.766 4.183 1.00 0.00 C ATOM 476 C ARG A 98 -6.405 4.285 4.415 1.00 0.00 C ATOM 477 O ARG A 98 -5.586 3.670 3.732 1.00 0.00 O ATOM 478 CB ARG A 98 -8.045 5.945 3.518 1.00 0.00 C ATOM 479 CG ARG A 98 -8.152 7.196 2.660 1.00 0.00 C ATOM 480 CD ARG A 98 -9.537 7.818 2.747 1.00 0.00 C ATOM 481 NE ARG A 98 -9.898 8.164 4.119 1.00 0.00 N ATOM 482 CZ ARG A 98 -11.143 8.414 4.518 1.00 0.00 C ATOM 483 NH1 ARG A 98 -12.149 8.354 3.654 1.00 0.00 N ATOM 484 NH2 ARG A 98 -11.385 8.724 5.785 1.00 0.00 N ATOM 0 H ARG A 98 -5.580 6.047 2.413 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.673 6.264 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.255 5.072 2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.812 5.979 4.291 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.405 7.923 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.929 6.947 1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.571 8.714 2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.273 7.122 2.343 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.152 8.217 4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.970 8.115 2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.101 8.547 3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.617 8.771 6.454 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.339 8.915 6.090 1.00 0.00 H new ATOM 498 N ILE A 99 -7.111 3.723 5.390 1.00 0.00 N ATOM 499 CA ILE A 99 -6.975 2.316 5.741 1.00 0.00 C ATOM 500 C ILE A 99 -8.205 1.842 6.511 1.00 0.00 C ATOM 501 O ILE A 99 -8.353 2.125 7.699 1.00 0.00 O ATOM 502 CB ILE A 99 -5.695 2.066 6.578 1.00 0.00 C ATOM 503 CG1 ILE A 99 -4.508 1.778 5.658 1.00 0.00 C ATOM 504 CG2 ILE A 99 -5.888 0.916 7.561 1.00 0.00 C ATOM 505 CD1 ILE A 99 -3.597 2.969 5.451 1.00 0.00 C ATOM 0 H ILE A 99 -7.791 4.229 5.957 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.891 1.747 4.815 1.00 0.00 H new ATOM 0 HB ILE A 99 -5.491 2.969 7.153 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.927 0.955 6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.882 1.445 4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.971 0.768 8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.705 1.153 8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.125 0.004 7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.778 2.690 4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.163 3.787 5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.193 3.289 6.411 1.00 0.00 H new ATOM 517 N LEU A 100 -9.085 1.122 5.824 1.00 0.00 N ATOM 518 CA LEU A 100 -10.303 0.611 6.440 1.00 0.00 C ATOM 519 C LEU A 100 -9.981 -0.204 7.691 1.00 0.00 C ATOM 520 O LEU A 100 -9.238 -1.184 7.633 1.00 0.00 O ATOM 521 CB LEU A 100 -11.079 -0.246 5.435 1.00 0.00 C ATOM 522 CG LEU A 100 -12.187 -1.115 6.032 1.00 0.00 C ATOM 523 CD1 LEU A 100 -13.292 -1.350 5.011 1.00 0.00 C ATOM 524 CD2 LEU A 100 -11.614 -2.438 6.525 1.00 0.00 C ATOM 0 H LEU A 100 -8.977 0.879 4.839 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.920 1.459 6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.520 0.412 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.374 -0.893 4.914 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.620 -0.590 6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.071 -1.970 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.718 -0.393 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.879 -1.855 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.414 -3.046 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.156 -2.969 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.862 -2.246 7.290 1.00 0.00 H new ATOM 585 N ILE A 105 -5.481 -4.466 7.001 1.00 0.00 N ATOM 586 CA ILE A 105 -4.434 -3.452 6.972 1.00 0.00 C ATOM 587 C ILE A 105 -4.335 -2.735 8.315 1.00 0.00 C ATOM 588 O ILE A 105 -3.322 -2.830 9.008 1.00 0.00 O ATOM 589 CB ILE A 105 -4.685 -2.415 5.859 1.00 0.00 C ATOM 590 CG1 ILE A 105 -4.868 -3.114 4.510 1.00 0.00 C ATOM 591 CG2 ILE A 105 -3.539 -1.417 5.791 1.00 0.00 C ATOM 592 CD1 ILE A 105 -3.609 -3.781 3.997 1.00 0.00 C ATOM 0 HA ILE A 105 -3.495 -3.966 6.767 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.600 -1.871 6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.654 -3.863 4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.208 -2.384 3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.734 -0.693 5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.452 -0.897 6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.609 -1.945 5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.814 -4.256 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.826 -3.033 3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.280 -4.535 4.712 1.00 0.00 H new ATOM 604 N HIS A 106 -5.394 -2.024 8.683 1.00 0.00 N ATOM 605 CA HIS A 106 -5.424 -1.299 9.950 1.00 0.00 C ATOM 606 C HIS A 106 -5.116 -2.228 11.123 1.00 0.00 C ATOM 607 O HIS A 106 -4.675 -1.781 12.182 1.00 0.00 O ATOM 608 CB HIS A 106 -6.793 -0.644 10.157 1.00 0.00 C ATOM 609 CG HIS A 106 -6.742 0.600 10.988 1.00 0.00 C ATOM 610 ND1 HIS A 106 -6.206 0.636 12.258 1.00 0.00 N ATOM 611 CD2 HIS A 106 -7.163 1.861 10.725 1.00 0.00 C ATOM 612 CE1 HIS A 106 -6.302 1.862 12.741 1.00 0.00 C ATOM 613 NE2 HIS A 106 -6.877 2.625 11.830 1.00 0.00 N ATOM 0 H HIS A 106 -6.242 -1.933 8.124 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.657 -0.526 9.910 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -7.223 -0.404 9.184 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -7.462 -1.362 10.632 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.799 -0.160 12.748 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -7.636 2.202 9.816 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.967 2.185 13.716 1.00 0.00 H new ATOM 622 N ARG A 107 -5.356 -3.523 10.929 1.00 0.00 N ATOM 623 CA ARG A 107 -5.110 -4.512 11.972 1.00 0.00 C ATOM 624 C ARG A 107 -3.661 -4.996 11.953 1.00 0.00 C ATOM 625 O ARG A 107 -3.138 -5.446 12.974 1.00 0.00 O ATOM 626 CB ARG A 107 -6.057 -5.701 11.806 1.00 0.00 C ATOM 627 CG ARG A 107 -6.426 -6.376 13.118 1.00 0.00 C ATOM 628 CD ARG A 107 -7.432 -7.497 12.908 1.00 0.00 C ATOM 629 NE ARG A 107 -6.913 -8.789 13.351 1.00 0.00 N ATOM 630 CZ ARG A 107 -7.411 -9.961 12.965 1.00 0.00 C ATOM 631 NH1 ARG A 107 -8.441 -10.010 12.128 1.00 0.00 N ATOM 632 NH2 ARG A 107 -6.879 -11.088 13.418 1.00 0.00 N ATOM 0 H ARG A 107 -5.721 -3.910 10.059 1.00 0.00 H new ATOM 0 HA ARG A 107 -5.294 -4.033 12.934 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.968 -5.362 11.313 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.592 -6.435 11.148 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.527 -6.776 13.587 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.841 -5.637 13.803 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.348 -7.268 13.452 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.695 -7.555 11.852 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.122 -8.793 13.995 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.855 -9.146 11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.818 -10.911 11.836 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.089 -11.056 14.062 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.260 -11.987 13.123 1.00 0.00 H new ATOM 646 N GLN A 108 -3.016 -4.910 10.792 1.00 0.00 N ATOM 647 CA GLN A 108 -1.629 -5.348 10.655 1.00 0.00 C ATOM 648 C GLN A 108 -0.744 -4.720 11.730 1.00 0.00 C ATOM 649 O GLN A 108 0.214 -5.337 12.195 1.00 0.00 O ATOM 650 CB GLN A 108 -1.089 -4.998 9.265 1.00 0.00 C ATOM 651 CG GLN A 108 -1.141 -6.159 8.285 1.00 0.00 C ATOM 652 CD GLN A 108 0.125 -6.993 8.304 1.00 0.00 C ATOM 653 OE1 GLN A 108 0.910 -6.930 9.249 1.00 0.00 O ATOM 654 NE2 GLN A 108 0.329 -7.783 7.255 1.00 0.00 N ATOM 0 H GLN A 108 -3.430 -4.542 9.935 1.00 0.00 H new ATOM 0 HA GLN A 108 -1.609 -6.430 10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -1.663 -4.165 8.860 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.058 -4.658 9.359 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -1.994 -6.794 8.524 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.303 -5.773 7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.349 -7.804 6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 108 1.163 -8.368 7.212 1.00 0.00 H new ATOM 663 N GLY A 109 -1.072 -3.493 12.120 1.00 0.00 N ATOM 664 CA GLY A 109 -0.298 -2.807 13.138 1.00 0.00 C ATOM 665 C GLY A 109 0.951 -2.155 12.578 1.00 0.00 C ATOM 666 O GLY A 109 1.147 -0.947 12.722 1.00 0.00 O ATOM 0 H GLY A 109 -1.860 -2.961 11.750 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.919 -2.047 13.611 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.016 -3.517 13.915 1.00 0.00 H new ATOM 670 N SER A 110 1.799 -2.954 11.936 1.00 0.00 N ATOM 671 CA SER A 110 3.036 -2.447 11.351 1.00 0.00 C ATOM 672 C SER A 110 2.760 -1.296 10.387 1.00 0.00 C ATOM 673 O SER A 110 3.634 -0.471 10.125 1.00 0.00 O ATOM 674 CB SER A 110 3.775 -3.570 10.620 1.00 0.00 C ATOM 675 OG SER A 110 4.426 -4.433 11.537 1.00 0.00 O ATOM 0 H SER A 110 1.652 -3.955 11.808 1.00 0.00 H new ATOM 0 HA SER A 110 3.661 -2.072 12.162 1.00 0.00 H new ATOM 0 HB2 SER A 110 3.070 -4.141 10.016 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.507 -3.142 9.935 1.00 0.00 H new ATOM 0 HG SER A 110 4.889 -5.143 11.046 1.00 0.00 H new ATOM 681 N LEU A 111 1.539 -1.246 9.861 1.00 0.00 N ATOM 682 CA LEU A 111 1.152 -0.195 8.929 1.00 0.00 C ATOM 683 C LEU A 111 1.145 1.165 9.618 1.00 0.00 C ATOM 684 O LEU A 111 0.934 1.257 10.827 1.00 0.00 O ATOM 685 CB LEU A 111 -0.228 -0.491 8.337 1.00 0.00 C ATOM 686 CG LEU A 111 -0.334 -0.330 6.820 1.00 0.00 C ATOM 687 CD1 LEU A 111 -0.267 1.139 6.433 1.00 0.00 C ATOM 688 CD2 LEU A 111 0.763 -1.118 6.121 1.00 0.00 C ATOM 0 H LEU A 111 0.802 -1.921 10.065 1.00 0.00 H new ATOM 0 HA LEU A 111 1.885 -0.169 8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.506 -1.512 8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.957 0.169 8.808 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.298 -0.726 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.344 1.234 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.090 1.677 6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.681 1.561 6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.671 -0.991 5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.737 -0.754 6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.668 -2.175 6.371 1.00 0.00 H new ATOM 700 N HIS A 112 1.375 2.218 8.841 1.00 0.00 N ATOM 701 CA HIS A 112 1.395 3.572 9.378 1.00 0.00 C ATOM 702 C HIS A 112 0.996 4.589 8.314 1.00 0.00 C ATOM 703 O HIS A 112 1.817 4.999 7.492 1.00 0.00 O ATOM 704 CB HIS A 112 2.785 3.902 9.925 1.00 0.00 C ATOM 705 CG HIS A 112 3.249 2.956 10.989 1.00 0.00 C ATOM 706 ND1 HIS A 112 2.771 2.717 12.234 1.00 0.00 N flip ATOM 707 CD2 HIS A 112 4.334 2.118 10.831 1.00 0.00 C flip ATOM 708 CE1 HIS A 112 3.567 1.750 12.796 1.00 0.00 C flip ATOM 709 NE2 HIS A 112 4.502 1.405 11.930 1.00 0.00 N flip ATOM 0 H HIS A 112 1.550 2.159 7.838 1.00 0.00 H new ATOM 0 HA HIS A 112 0.670 3.626 10.190 1.00 0.00 H new ATOM 0 HB2 HIS A 112 3.502 3.892 9.104 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.777 4.914 10.329 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.950 2.055 9.946 1.00 0.00 H new ATOM 0 HE1 HIS A 112 3.448 1.338 13.787 1.00 0.00 H new ATOM 0 HE2 HIS A 112 5.230 0.707 12.084 1.00 0.00 H new ATOM 718 N VAL A 113 -0.271 4.990 8.336 1.00 0.00 N ATOM 719 CA VAL A 113 -0.790 5.960 7.378 1.00 0.00 C ATOM 720 C VAL A 113 0.057 7.225 7.356 1.00 0.00 C ATOM 721 O VAL A 113 0.617 7.630 8.375 1.00 0.00 O ATOM 722 CB VAL A 113 -2.249 6.334 7.703 1.00 0.00 C ATOM 723 CG1 VAL A 113 -2.823 7.245 6.630 1.00 0.00 C ATOM 724 CG2 VAL A 113 -3.099 5.080 7.864 1.00 0.00 C ATOM 0 H VAL A 113 -0.960 4.656 9.010 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.750 5.489 6.396 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.262 6.877 8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.854 7.497 6.880 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.230 8.158 6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.797 6.735 5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.126 5.364 8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.079 4.506 6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.701 4.472 8.676 1.00 0.00 H new ATOM 734 N GLY A 114 0.148 7.841 6.184 1.00 0.00 N ATOM 735 CA GLY A 114 0.932 9.050 6.042 1.00 0.00 C ATOM 736 C GLY A 114 2.355 8.768 5.603 1.00 0.00 C ATOM 737 O GLY A 114 3.055 9.666 5.135 1.00 0.00 O ATOM 0 H GLY A 114 -0.308 7.523 5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.454 9.707 5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.947 9.584 6.992 1.00 0.00 H new ATOM 741 N ASP A 115 2.783 7.516 5.748 1.00 0.00 N ATOM 742 CA ASP A 115 4.129 7.123 5.355 1.00 0.00 C ATOM 743 C ASP A 115 4.262 7.130 3.837 1.00 0.00 C ATOM 744 O ASP A 115 3.349 7.555 3.130 1.00 0.00 O ATOM 745 CB ASP A 115 4.463 5.737 5.911 1.00 0.00 C ATOM 746 CG ASP A 115 4.995 5.795 7.330 1.00 0.00 C ATOM 747 OD1 ASP A 115 5.229 6.916 7.831 1.00 0.00 O ATOM 748 OD2 ASP A 115 5.179 4.722 7.940 1.00 0.00 O ATOM 0 H ASP A 115 2.217 6.760 6.134 1.00 0.00 H new ATOM 0 HA ASP A 115 4.835 7.843 5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.569 5.114 5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.202 5.259 5.268 1.00 0.00 H new ATOM 753 N GLU A 116 5.399 6.659 3.338 1.00 0.00 N ATOM 754 CA GLU A 116 5.633 6.617 1.902 1.00 0.00 C ATOM 755 C GLU A 116 5.848 5.184 1.425 1.00 0.00 C ATOM 756 O GLU A 116 6.401 4.354 2.148 1.00 0.00 O ATOM 757 CB GLU A 116 6.839 7.489 1.530 1.00 0.00 C ATOM 758 CG GLU A 116 8.184 6.834 1.806 1.00 0.00 C ATOM 759 CD GLU A 116 9.090 7.695 2.665 1.00 0.00 C ATOM 760 OE1 GLU A 116 8.782 7.869 3.863 1.00 0.00 O ATOM 761 OE2 GLU A 116 10.106 8.195 2.140 1.00 0.00 O ATOM 0 H GLU A 116 6.169 6.303 3.904 1.00 0.00 H new ATOM 0 HA GLU A 116 4.748 7.012 1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 116 6.779 7.741 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.782 8.426 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.022 5.877 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.681 6.622 0.859 1.00 0.00 H new ATOM 768 N ILE A 117 5.408 4.911 0.203 1.00 0.00 N ATOM 769 CA ILE A 117 5.545 3.588 -0.391 1.00 0.00 C ATOM 770 C ILE A 117 6.535 3.627 -1.555 1.00 0.00 C ATOM 771 O ILE A 117 6.367 4.398 -2.499 1.00 0.00 O ATOM 772 CB ILE A 117 4.181 3.056 -0.883 1.00 0.00 C ATOM 773 CG1 ILE A 117 3.239 2.847 0.303 1.00 0.00 C ATOM 774 CG2 ILE A 117 4.352 1.758 -1.662 1.00 0.00 C ATOM 775 CD1 ILE A 117 1.827 2.485 -0.104 1.00 0.00 C ATOM 0 H ILE A 117 4.950 5.595 -0.400 1.00 0.00 H new ATOM 0 HA ILE A 117 5.922 2.914 0.378 1.00 0.00 H new ATOM 0 HB ILE A 117 3.745 3.797 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.639 2.058 0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.214 3.757 0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.377 1.404 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 117 4.991 1.934 -2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.810 1.006 -1.020 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.214 2.352 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 117 1.408 3.284 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 117 1.840 1.558 -0.677 1.00 0.00 H new ATOM 787 N LEU A 118 7.575 2.803 -1.471 1.00 0.00 N ATOM 788 CA LEU A 118 8.599 2.757 -2.511 1.00 0.00 C ATOM 789 C LEU A 118 8.266 1.726 -3.584 1.00 0.00 C ATOM 790 O LEU A 118 8.520 1.948 -4.768 1.00 0.00 O ATOM 791 CB LEU A 118 9.962 2.442 -1.895 1.00 0.00 C ATOM 792 CG LEU A 118 9.989 1.233 -0.955 1.00 0.00 C ATOM 793 CD1 LEU A 118 11.034 0.223 -1.409 1.00 0.00 C ATOM 794 CD2 LEU A 118 10.263 1.674 0.477 1.00 0.00 C ATOM 0 H LEU A 118 7.731 2.159 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 118 8.631 3.738 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 118 10.676 2.272 -2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 118 10.305 3.318 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 118 9.010 0.754 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.037 -0.628 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 118 10.796 -0.119 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.018 0.692 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.278 0.801 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 118 11.228 2.179 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 118 9.479 2.358 0.803 1.00 0.00 H new ATOM 806 N GLU A 119 7.701 0.601 -3.167 1.00 0.00 N ATOM 807 CA GLU A 119 7.340 -0.457 -4.096 1.00 0.00 C ATOM 808 C GLU A 119 6.472 -1.503 -3.418 1.00 0.00 C ATOM 809 O GLU A 119 6.739 -1.922 -2.291 1.00 0.00 O ATOM 810 CB GLU A 119 8.590 -1.118 -4.674 1.00 0.00 C ATOM 811 CG GLU A 119 9.489 -1.741 -3.620 1.00 0.00 C ATOM 812 CD GLU A 119 10.940 -1.807 -4.057 1.00 0.00 C ATOM 813 OE1 GLU A 119 11.476 -0.770 -4.499 1.00 0.00 O ATOM 814 OE2 GLU A 119 11.540 -2.898 -3.955 1.00 0.00 O ATOM 0 H GLU A 119 7.483 0.399 -2.191 1.00 0.00 H new ATOM 0 HA GLU A 119 6.771 -0.005 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.289 -1.888 -5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.159 -0.375 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.417 -1.163 -2.698 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.135 -2.747 -3.394 1.00 0.00 H new ATOM 821 N ILE A 120 5.435 -1.920 -4.122 1.00 0.00 N ATOM 822 CA ILE A 120 4.511 -2.927 -3.606 1.00 0.00 C ATOM 823 C ILE A 120 4.601 -4.222 -4.403 1.00 0.00 C ATOM 824 O ILE A 120 4.830 -4.215 -5.608 1.00 0.00 O ATOM 825 CB ILE A 120 3.043 -2.429 -3.576 1.00 0.00 C ATOM 826 CG1 ILE A 120 2.298 -2.749 -4.879 1.00 0.00 C ATOM 827 CG2 ILE A 120 2.998 -0.940 -3.291 1.00 0.00 C ATOM 828 CD1 ILE A 120 2.987 -2.261 -6.129 1.00 0.00 C ATOM 0 H ILE A 120 5.207 -1.579 -5.056 1.00 0.00 H new ATOM 0 HA ILE A 120 4.817 -3.119 -2.578 1.00 0.00 H new ATOM 0 HB ILE A 120 2.534 -2.962 -2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 120 2.164 -3.828 -4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 120 1.303 -2.307 -4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 120 1.961 -0.604 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 120 3.461 -0.740 -2.325 1.00 0.00 H new ATOM 0 HG23 ILE A 120 3.539 -0.404 -4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.391 -2.530 -7.001 1.00 0.00 H new ATOM 0 HD12 ILE A 120 3.097 -1.177 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 120 3.972 -2.722 -6.206 1.00 0.00 H new ATOM 840 N ASN A 121 4.416 -5.333 -3.710 1.00 0.00 N ATOM 841 CA ASN A 121 4.472 -6.657 -4.333 1.00 0.00 C ATOM 842 C ASN A 121 5.622 -6.767 -5.338 1.00 0.00 C ATOM 843 O ASN A 121 5.531 -7.512 -6.313 1.00 0.00 O ATOM 844 CB ASN A 121 3.149 -6.972 -5.033 1.00 0.00 C ATOM 845 CG ASN A 121 2.739 -8.421 -4.857 1.00 0.00 C ATOM 846 OD1 ASN A 121 1.831 -8.887 -5.706 1.00 0.00 O flip ATOM 847 ND2 ASN A 121 3.235 -9.115 -3.970 1.00 0.00 N flip ATOM 0 H ASN A 121 4.224 -5.350 -2.708 1.00 0.00 H new ATOM 0 HA ASN A 121 4.648 -7.381 -3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 121 2.367 -6.324 -4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 121 3.240 -6.748 -6.096 1.00 0.00 H new ATOM 0 HD21 ASN A 121 3.930 -8.716 -3.339 1.00 0.00 H new ATOM 0 HD22 ASN A 121 2.951 -10.089 -3.866 1.00 0.00 H new ATOM 854 N GLY A 122 6.700 -6.026 -5.096 1.00 0.00 N ATOM 855 CA GLY A 122 7.841 -6.067 -5.994 1.00 0.00 C ATOM 856 C GLY A 122 7.663 -5.180 -7.213 1.00 0.00 C ATOM 857 O GLY A 122 8.210 -5.464 -8.278 1.00 0.00 O ATOM 0 H GLY A 122 6.804 -5.400 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 122 8.735 -5.757 -5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 122 8.005 -7.094 -6.319 1.00 0.00 H new ATOM 861 N THR A 123 6.899 -4.103 -7.055 1.00 0.00 N ATOM 862 CA THR A 123 6.652 -3.169 -8.150 1.00 0.00 C ATOM 863 C THR A 123 7.157 -1.776 -7.787 1.00 0.00 C ATOM 864 O THR A 123 6.724 -1.186 -6.795 1.00 0.00 O ATOM 865 CB THR A 123 5.153 -3.132 -8.492 1.00 0.00 C ATOM 866 OG1 THR A 123 4.851 -4.077 -9.501 1.00 0.00 O ATOM 867 CG2 THR A 123 4.657 -1.779 -8.974 1.00 0.00 C ATOM 0 H THR A 123 6.440 -3.855 -6.179 1.00 0.00 H new ATOM 0 HA THR A 123 7.197 -3.511 -9.030 1.00 0.00 H new ATOM 0 HB THR A 123 4.648 -3.363 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 123 3.893 -4.042 -9.706 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.591 -1.839 -9.193 1.00 0.00 H new ATOM 0 HG22 THR A 123 4.826 -1.032 -8.198 1.00 0.00 H new ATOM 0 HG23 THR A 123 5.198 -1.494 -9.876 1.00 0.00 H new ATOM 875 N ASN A 124 8.070 -1.256 -8.600 1.00 0.00 N ATOM 876 CA ASN A 124 8.634 0.068 -8.371 1.00 0.00 C ATOM 877 C ASN A 124 7.559 1.144 -8.488 1.00 0.00 C ATOM 878 O ASN A 124 7.385 1.750 -9.546 1.00 0.00 O ATOM 879 CB ASN A 124 9.762 0.341 -9.368 1.00 0.00 C ATOM 880 CG ASN A 124 11.099 0.553 -8.685 1.00 0.00 C ATOM 881 OD1 ASN A 124 11.670 1.642 -8.738 1.00 0.00 O ATOM 882 ND2 ASN A 124 11.605 -0.489 -8.036 1.00 0.00 N ATOM 0 H ASN A 124 8.435 -1.732 -9.425 1.00 0.00 H new ATOM 0 HA ASN A 124 9.039 0.096 -7.359 1.00 0.00 H new ATOM 0 HB2 ASN A 124 9.840 -0.496 -10.062 1.00 0.00 H new ATOM 0 HB3 ASN A 124 9.515 1.223 -9.959 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.501 -0.405 -7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 124 11.098 -1.374 -8.018 1.00 0.00 H new ATOM 889 N VAL A 125 6.840 1.377 -7.395 1.00 0.00 N ATOM 890 CA VAL A 125 5.782 2.378 -7.370 1.00 0.00 C ATOM 891 C VAL A 125 6.342 3.800 -7.338 1.00 0.00 C ATOM 892 O VAL A 125 5.586 4.771 -7.332 1.00 0.00 O ATOM 893 CB VAL A 125 4.851 2.164 -6.162 1.00 0.00 C ATOM 894 CG1 VAL A 125 4.451 0.704 -6.051 1.00 0.00 C ATOM 895 CG2 VAL A 125 5.509 2.632 -4.877 1.00 0.00 C ATOM 0 H VAL A 125 6.972 0.884 -6.512 1.00 0.00 H new ATOM 0 HA VAL A 125 5.212 2.256 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 125 3.953 2.761 -6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.793 0.571 -5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 125 3.929 0.400 -6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.343 0.091 -5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 125 4.830 2.469 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.428 2.069 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 125 5.742 3.694 -4.954 1.00 0.00 H new ATOM 905 N THR A 126 7.664 3.918 -7.302 1.00 0.00 N ATOM 906 CA THR A 126 8.314 5.223 -7.252 1.00 0.00 C ATOM 907 C THR A 126 8.414 5.877 -8.632 1.00 0.00 C ATOM 908 O THR A 126 9.124 6.867 -8.800 1.00 0.00 O ATOM 909 CB THR A 126 9.709 5.092 -6.641 1.00 0.00 C ATOM 910 OG1 THR A 126 10.518 4.227 -7.420 1.00 0.00 O ATOM 911 CG2 THR A 126 9.694 4.556 -5.226 1.00 0.00 C ATOM 0 H THR A 126 8.307 3.126 -7.306 1.00 0.00 H new ATOM 0 HA THR A 126 7.694 5.867 -6.628 1.00 0.00 H new ATOM 0 HB THR A 126 10.114 6.104 -6.625 1.00 0.00 H new ATOM 0 HG1 THR A 126 11.407 4.157 -7.014 1.00 0.00 H new ATOM 0 HG21 THR A 126 10.716 4.488 -4.852 1.00 0.00 H new ATOM 0 HG22 THR A 126 9.118 5.227 -4.589 1.00 0.00 H new ATOM 0 HG23 THR A 126 9.237 3.566 -5.217 1.00 0.00 H new ATOM 919 N ASN A 127 7.706 5.331 -9.620 1.00 0.00 N ATOM 920 CA ASN A 127 7.740 5.890 -10.970 1.00 0.00 C ATOM 921 C ASN A 127 6.405 5.703 -11.690 1.00 0.00 C ATOM 922 O ASN A 127 6.338 5.782 -12.917 1.00 0.00 O ATOM 923 CB ASN A 127 8.869 5.254 -11.792 1.00 0.00 C ATOM 924 CG ASN A 127 9.191 3.836 -11.358 1.00 0.00 C ATOM 925 OD1 ASN A 127 8.376 2.928 -11.506 1.00 0.00 O ATOM 926 ND2 ASN A 127 10.388 3.643 -10.816 1.00 0.00 N ATOM 0 H ASN A 127 7.108 4.511 -9.513 1.00 0.00 H new ATOM 0 HA ASN A 127 7.927 6.959 -10.873 1.00 0.00 H new ATOM 0 HB2 ASN A 127 8.587 5.251 -12.845 1.00 0.00 H new ATOM 0 HB3 ASN A 127 9.766 5.868 -11.704 1.00 0.00 H new ATOM 0 HD21 ASN A 127 10.662 2.712 -10.503 1.00 0.00 H new ATOM 0 HD22 ASN A 127 11.033 4.426 -10.713 1.00 0.00 H new ATOM 933 N HIS A 128 5.342 5.466 -10.925 1.00 0.00 N ATOM 934 CA HIS A 128 4.014 5.278 -11.501 1.00 0.00 C ATOM 935 C HIS A 128 2.951 5.953 -10.643 1.00 0.00 C ATOM 936 O HIS A 128 3.082 6.025 -9.422 1.00 0.00 O ATOM 937 CB HIS A 128 3.690 3.787 -11.634 1.00 0.00 C ATOM 938 CG HIS A 128 4.822 2.965 -12.165 1.00 0.00 C ATOM 939 ND1 HIS A 128 5.604 3.357 -13.231 1.00 0.00 N ATOM 940 CD2 HIS A 128 5.301 1.762 -11.772 1.00 0.00 C ATOM 941 CE1 HIS A 128 6.516 2.431 -13.470 1.00 0.00 C ATOM 942 NE2 HIS A 128 6.354 1.453 -12.598 1.00 0.00 N ATOM 0 H HIS A 128 5.375 5.400 -9.908 1.00 0.00 H new ATOM 0 HA HIS A 128 4.013 5.735 -12.491 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.400 3.400 -10.657 1.00 0.00 H new ATOM 0 HB3 HIS A 128 2.829 3.670 -12.292 1.00 0.00 H new ATOM 0 HD1 HIS A 128 5.495 4.226 -13.754 1.00 0.00 H new ATOM 0 HD2 HIS A 128 4.925 1.157 -10.960 1.00 0.00 H new ATOM 0 HE1 HIS A 128 7.266 2.468 -14.246 1.00 0.00 H new ATOM 951 N SER A 129 1.892 6.438 -11.285 1.00 0.00 N ATOM 952 CA SER A 129 0.806 7.093 -10.565 1.00 0.00 C ATOM 953 C SER A 129 0.162 6.123 -9.590 1.00 0.00 C ATOM 954 O SER A 129 0.232 4.911 -9.774 1.00 0.00 O ATOM 955 CB SER A 129 -0.251 7.614 -11.533 1.00 0.00 C ATOM 956 OG SER A 129 0.343 8.218 -12.669 1.00 0.00 O ATOM 0 H SER A 129 1.763 6.390 -12.296 1.00 0.00 H new ATOM 0 HA SER A 129 1.227 7.935 -10.016 1.00 0.00 H new ATOM 0 HB2 SER A 129 -0.893 6.792 -11.850 1.00 0.00 H new ATOM 0 HB3 SER A 129 -0.887 8.338 -11.024 1.00 0.00 H new ATOM 0 HG SER A 129 -0.359 8.541 -13.272 1.00 0.00 H new ATOM 962 N VAL A 130 -0.463 6.659 -8.553 1.00 0.00 N ATOM 963 CA VAL A 130 -1.109 5.823 -7.554 1.00 0.00 C ATOM 964 C VAL A 130 -2.144 4.895 -8.181 1.00 0.00 C ATOM 965 O VAL A 130 -2.182 3.705 -7.874 1.00 0.00 O ATOM 966 CB VAL A 130 -1.769 6.670 -6.451 1.00 0.00 C ATOM 967 CG1 VAL A 130 -2.753 7.663 -7.050 1.00 0.00 C ATOM 968 CG2 VAL A 130 -2.453 5.779 -5.422 1.00 0.00 C ATOM 0 H VAL A 130 -0.536 7.662 -8.382 1.00 0.00 H new ATOM 0 HA VAL A 130 -0.326 5.213 -7.103 1.00 0.00 H new ATOM 0 HB VAL A 130 -0.988 7.235 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -3.208 8.251 -6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -2.227 8.327 -7.736 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -3.530 7.124 -7.591 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -2.912 6.399 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -3.221 5.180 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -1.716 5.119 -4.964 1.00 0.00 H new ATOM 978 N ASP A 131 -2.975 5.436 -9.064 1.00 0.00 N ATOM 979 CA ASP A 131 -3.998 4.634 -9.730 1.00 0.00 C ATOM 980 C ASP A 131 -3.365 3.424 -10.406 1.00 0.00 C ATOM 981 O ASP A 131 -3.962 2.348 -10.465 1.00 0.00 O ATOM 982 CB ASP A 131 -4.753 5.476 -10.760 1.00 0.00 C ATOM 983 CG ASP A 131 -6.140 4.932 -11.046 1.00 0.00 C ATOM 984 OD1 ASP A 131 -6.663 4.169 -10.208 1.00 0.00 O ATOM 985 OD2 ASP A 131 -6.701 5.270 -12.110 1.00 0.00 O ATOM 0 H ASP A 131 -2.963 6.419 -9.335 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.706 4.286 -8.978 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.835 6.501 -10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.181 5.510 -11.687 1.00 0.00 H new ATOM 990 N GLN A 132 -2.147 3.606 -10.902 1.00 0.00 N ATOM 991 CA GLN A 132 -1.427 2.526 -11.559 1.00 0.00 C ATOM 992 C GLN A 132 -1.088 1.430 -10.559 1.00 0.00 C ATOM 993 O GLN A 132 -1.181 0.244 -10.872 1.00 0.00 O ATOM 994 CB GLN A 132 -0.146 3.052 -12.211 1.00 0.00 C ATOM 995 CG GLN A 132 -0.389 4.137 -13.246 1.00 0.00 C ATOM 996 CD GLN A 132 0.659 4.141 -14.342 1.00 0.00 C ATOM 997 OE1 GLN A 132 1.761 4.659 -14.160 1.00 0.00 O ATOM 998 NE2 GLN A 132 0.319 3.564 -15.488 1.00 0.00 N ATOM 0 H GLN A 132 -1.640 4.490 -10.861 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.069 2.110 -12.335 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.512 3.443 -11.435 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.378 2.221 -12.684 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.374 3.996 -13.691 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -0.398 5.109 -12.753 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -0.606 3.147 -15.594 1.00 0.00 H new ATOM 0 HE22 GLN A 132 0.983 3.538 -16.262 1.00 0.00 H new ATOM 1007 N LEU A 133 -0.697 1.833 -9.351 1.00 0.00 N ATOM 1008 CA LEU A 133 -0.345 0.877 -8.310 1.00 0.00 C ATOM 1009 C LEU A 133 -1.583 0.215 -7.729 1.00 0.00 C ATOM 1010 O LEU A 133 -1.628 -1.005 -7.584 1.00 0.00 O ATOM 1011 CB LEU A 133 0.436 1.549 -7.193 1.00 0.00 C ATOM 1012 CG LEU A 133 1.846 1.986 -7.558 1.00 0.00 C ATOM 1013 CD1 LEU A 133 2.563 0.911 -8.364 1.00 0.00 C ATOM 1014 CD2 LEU A 133 1.782 3.279 -8.330 1.00 0.00 C ATOM 0 H LEU A 133 -0.617 2.811 -9.073 1.00 0.00 H new ATOM 0 HA LEU A 133 0.280 0.114 -8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.122 2.423 -6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.493 0.863 -6.348 1.00 0.00 H new ATOM 0 HG LEU A 133 2.416 2.141 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.569 1.251 -8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.624 -0.005 -7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.010 0.716 -9.283 1.00 0.00 H new ATOM 0 HD21 LEU A 133 2.791 3.596 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.199 3.132 -9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.310 4.046 -7.716 1.00 0.00 H new ATOM 1026 N GLN A 134 -2.593 1.024 -7.400 1.00 0.00 N ATOM 1027 CA GLN A 134 -3.835 0.497 -6.846 1.00 0.00 C ATOM 1028 C GLN A 134 -4.273 -0.714 -7.656 1.00 0.00 C ATOM 1029 O GLN A 134 -4.554 -1.783 -7.108 1.00 0.00 O ATOM 1030 CB GLN A 134 -4.926 1.570 -6.853 1.00 0.00 C ATOM 1031 CG GLN A 134 -4.706 2.668 -5.823 1.00 0.00 C ATOM 1032 CD GLN A 134 -5.499 3.924 -6.129 1.00 0.00 C ATOM 1033 OE1 GLN A 134 -6.056 4.068 -7.216 1.00 0.00 O ATOM 1034 NE2 GLN A 134 -5.554 4.838 -5.168 1.00 0.00 N ATOM 0 H GLN A 134 -2.573 2.038 -7.508 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.667 0.196 -5.812 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.976 2.019 -7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -5.890 1.097 -6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.986 2.297 -4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -3.645 2.914 -5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -5.076 4.675 -4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -6.074 5.703 -5.316 1.00 0.00 H new ATOM 1043 N LYS A 135 -4.280 -0.550 -8.974 1.00 0.00 N ATOM 1044 CA LYS A 135 -4.630 -1.640 -9.861 1.00 0.00 C ATOM 1045 C LYS A 135 -3.477 -2.639 -9.902 1.00 0.00 C ATOM 1046 O LYS A 135 -3.689 -3.846 -10.013 1.00 0.00 O ATOM 1047 CB LYS A 135 -4.940 -1.120 -11.264 1.00 0.00 C ATOM 1048 CG LYS A 135 -5.230 -2.224 -12.263 1.00 0.00 C ATOM 1049 CD LYS A 135 -3.983 -2.591 -13.047 1.00 0.00 C ATOM 1050 CE LYS A 135 -4.310 -2.911 -14.497 1.00 0.00 C ATOM 1051 NZ LYS A 135 -3.092 -3.269 -15.274 1.00 0.00 N ATOM 0 H LYS A 135 -4.048 0.325 -9.445 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.526 -2.134 -9.486 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -5.798 -0.450 -11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.095 -0.530 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -5.606 -3.103 -11.740 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -6.013 -1.902 -12.949 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -3.271 -1.767 -13.007 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -3.501 -3.451 -12.583 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -5.021 -3.736 -14.535 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -4.795 -2.051 -14.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -3.357 -3.480 -16.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -2.424 -2.472 -15.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -2.643 -4.105 -14.849 1.00 0.00 H new ATOM 1065 N ALA A 136 -2.249 -2.124 -9.784 1.00 0.00 N ATOM 1066 CA ALA A 136 -1.061 -2.970 -9.776 1.00 0.00 C ATOM 1067 C ALA A 136 -1.143 -3.977 -8.637 1.00 0.00 C ATOM 1068 O ALA A 136 -0.622 -5.088 -8.729 1.00 0.00 O ATOM 1069 CB ALA A 136 0.195 -2.126 -9.634 1.00 0.00 C ATOM 0 H ALA A 136 -2.056 -1.126 -9.693 1.00 0.00 H new ATOM 0 HA ALA A 136 -1.013 -3.507 -10.723 1.00 0.00 H new ATOM 0 HB1 ALA A 136 1.071 -2.775 -9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 136 0.262 -1.430 -10.471 1.00 0.00 H new ATOM 0 HB3 ALA A 136 0.154 -1.567 -8.699 1.00 0.00 H new ATOM 1075 N MET A 137 -1.823 -3.579 -7.567 1.00 0.00 N ATOM 1076 CA MET A 137 -2.006 -4.445 -6.416 1.00 0.00 C ATOM 1077 C MET A 137 -3.038 -5.504 -6.763 1.00 0.00 C ATOM 1078 O MET A 137 -2.821 -6.697 -6.554 1.00 0.00 O ATOM 1079 CB MET A 137 -2.461 -3.637 -5.198 1.00 0.00 C ATOM 1080 CG MET A 137 -1.595 -2.421 -4.917 1.00 0.00 C ATOM 1081 SD MET A 137 -1.513 -2.016 -3.162 1.00 0.00 S ATOM 1082 CE MET A 137 -3.172 -1.404 -2.880 1.00 0.00 C ATOM 0 H MET A 137 -2.256 -2.660 -7.476 1.00 0.00 H new ATOM 0 HA MET A 137 -1.058 -4.921 -6.165 1.00 0.00 H new ATOM 0 HB2 MET A 137 -3.490 -3.312 -5.352 1.00 0.00 H new ATOM 0 HB3 MET A 137 -2.459 -4.285 -4.321 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.588 -2.603 -5.291 1.00 0.00 H new ATOM 0 HG3 MET A 137 -1.989 -1.565 -5.465 1.00 0.00 H new ATOM 0 HE1 MET A 137 -3.123 -0.397 -2.465 1.00 0.00 H new ATOM 0 HE2 MET A 137 -3.717 -1.381 -3.824 1.00 0.00 H new ATOM 0 HE3 MET A 137 -3.688 -2.061 -2.179 1.00 0.00 H new ATOM 1092 N LYS A 138 -4.152 -5.051 -7.332 1.00 0.00 N ATOM 1093 CA LYS A 138 -5.214 -5.953 -7.756 1.00 0.00 C ATOM 1094 C LYS A 138 -4.695 -6.874 -8.854 1.00 0.00 C ATOM 1095 O LYS A 138 -5.191 -7.985 -9.042 1.00 0.00 O ATOM 1096 CB LYS A 138 -6.416 -5.159 -8.268 1.00 0.00 C ATOM 1097 CG LYS A 138 -7.341 -4.680 -7.163 1.00 0.00 C ATOM 1098 CD LYS A 138 -8.392 -3.722 -7.696 1.00 0.00 C ATOM 1099 CE LYS A 138 -9.769 -4.033 -7.132 1.00 0.00 C ATOM 1100 NZ LYS A 138 -10.560 -2.796 -6.883 1.00 0.00 N ATOM 0 H LYS A 138 -4.341 -4.064 -7.509 1.00 0.00 H new ATOM 0 HA LYS A 138 -5.531 -6.551 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.059 -4.297 -8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -6.983 -5.780 -8.962 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -7.830 -5.537 -6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -6.757 -4.186 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -8.116 -2.699 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.422 -3.782 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -10.309 -4.675 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.663 -4.589 -6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -11.492 -3.051 -6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -10.057 -2.194 -6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.684 -2.278 -7.776 1.00 0.00 H new ATOM 1114 N GLU A 139 -3.685 -6.391 -9.576 1.00 0.00 N ATOM 1115 CA GLU A 139 -3.069 -7.143 -10.661 1.00 0.00 C ATOM 1116 C GLU A 139 -2.693 -8.553 -10.213 1.00 0.00 C ATOM 1117 O GLU A 139 -3.158 -9.541 -10.780 1.00 0.00 O ATOM 1118 CB GLU A 139 -1.826 -6.400 -11.154 1.00 0.00 C ATOM 1119 CG GLU A 139 -1.925 -5.941 -12.597 1.00 0.00 C ATOM 1120 CD GLU A 139 -0.629 -6.134 -13.360 1.00 0.00 C ATOM 1121 OE1 GLU A 139 -0.167 -7.290 -13.462 1.00 0.00 O ATOM 1122 OE2 GLU A 139 -0.077 -5.130 -13.856 1.00 0.00 O ATOM 0 H GLU A 139 -3.274 -5.470 -9.424 1.00 0.00 H new ATOM 0 HA GLU A 139 -3.790 -7.232 -11.473 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.655 -5.533 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.958 -7.050 -11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.722 -6.493 -13.096 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.203 -4.887 -12.621 1.00 0.00 H new ATOM 1129 N THR A 140 -1.849 -8.635 -9.190 1.00 0.00 N ATOM 1130 CA THR A 140 -1.406 -9.919 -8.661 1.00 0.00 C ATOM 1131 C THR A 140 -2.567 -10.673 -8.019 1.00 0.00 C ATOM 1132 O THR A 140 -3.589 -10.081 -7.672 1.00 0.00 O ATOM 1133 CB THR A 140 -0.283 -9.720 -7.641 1.00 0.00 C ATOM 1134 OG1 THR A 140 0.284 -8.428 -7.763 1.00 0.00 O ATOM 1135 CG2 THR A 140 0.835 -10.728 -7.784 1.00 0.00 C ATOM 0 H THR A 140 -1.457 -7.825 -8.710 1.00 0.00 H new ATOM 0 HA THR A 140 -1.026 -10.512 -9.493 1.00 0.00 H new ATOM 0 HB THR A 140 -0.750 -9.853 -6.665 1.00 0.00 H new ATOM 0 HG1 THR A 140 1.042 -8.344 -7.148 1.00 0.00 H new ATOM 0 HG21 THR A 140 1.600 -10.533 -7.032 1.00 0.00 H new ATOM 0 HG22 THR A 140 0.438 -11.734 -7.645 1.00 0.00 H new ATOM 0 HG23 THR A 140 1.274 -10.645 -8.778 1.00 0.00 H new ATOM 1143 N LYS A 141 -2.399 -11.985 -7.868 1.00 0.00 N ATOM 1144 CA LYS A 141 -3.429 -12.833 -7.271 1.00 0.00 C ATOM 1145 C LYS A 141 -4.028 -12.194 -6.020 1.00 0.00 C ATOM 1146 O LYS A 141 -5.244 -12.038 -5.916 1.00 0.00 O ATOM 1147 CB LYS A 141 -2.848 -14.206 -6.927 1.00 0.00 C ATOM 1148 CG LYS A 141 -1.501 -14.141 -6.223 1.00 0.00 C ATOM 1149 CD LYS A 141 -0.530 -15.171 -6.781 1.00 0.00 C ATOM 1150 CE LYS A 141 0.911 -14.809 -6.463 1.00 0.00 C ATOM 1151 NZ LYS A 141 1.570 -14.101 -7.596 1.00 0.00 N ATOM 0 H LYS A 141 -1.557 -12.485 -8.152 1.00 0.00 H new ATOM 0 HA LYS A 141 -4.227 -12.950 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -3.554 -14.741 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -2.741 -14.786 -7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -1.078 -13.143 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.639 -14.310 -5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.760 -16.152 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -0.658 -15.245 -7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 141 0.939 -14.177 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 141 1.469 -15.715 -6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 2.285 -14.722 -8.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 0.857 -13.850 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 2.028 -13.236 -7.245 1.00 0.00 H new ATOM 1165 N GLY A 142 -3.169 -11.824 -5.073 1.00 0.00 N ATOM 1166 CA GLY A 142 -3.647 -11.209 -3.849 1.00 0.00 C ATOM 1167 C GLY A 142 -2.530 -10.877 -2.878 1.00 0.00 C ATOM 1168 O GLY A 142 -2.593 -9.874 -2.169 1.00 0.00 O ATOM 0 H GLY A 142 -2.157 -11.939 -5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -4.190 -10.297 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -4.355 -11.881 -3.364 1.00 0.00 H new ATOM 1172 N MET A 143 -1.506 -11.722 -2.838 1.00 0.00 N ATOM 1173 CA MET A 143 -0.377 -11.509 -1.939 1.00 0.00 C ATOM 1174 C MET A 143 0.407 -10.260 -2.333 1.00 0.00 C ATOM 1175 O MET A 143 1.125 -10.260 -3.333 1.00 0.00 O ATOM 1176 CB MET A 143 0.547 -12.728 -1.948 1.00 0.00 C ATOM 1177 CG MET A 143 -0.163 -14.032 -1.624 1.00 0.00 C ATOM 1178 SD MET A 143 -1.030 -13.977 -0.044 1.00 0.00 S ATOM 1179 CE MET A 143 -2.158 -15.356 -0.231 1.00 0.00 C ATOM 0 H MET A 143 -1.434 -12.559 -3.416 1.00 0.00 H new ATOM 0 HA MET A 143 -0.770 -11.366 -0.932 1.00 0.00 H new ATOM 0 HB2 MET A 143 1.014 -12.812 -2.929 1.00 0.00 H new ATOM 0 HB3 MET A 143 1.348 -12.571 -1.226 1.00 0.00 H new ATOM 0 HG2 MET A 143 -0.875 -14.260 -2.417 1.00 0.00 H new ATOM 0 HG3 MET A 143 0.565 -14.843 -1.606 1.00 0.00 H new ATOM 0 HE1 MET A 143 -2.766 -15.453 0.668 1.00 0.00 H new ATOM 0 HE2 MET A 143 -2.806 -15.182 -1.090 1.00 0.00 H new ATOM 0 HE3 MET A 143 -1.589 -16.273 -0.385 1.00 0.00 H new ATOM 1189 N ILE A 144 0.268 -9.198 -1.541 1.00 0.00 N ATOM 1190 CA ILE A 144 0.974 -7.950 -1.818 1.00 0.00 C ATOM 1191 C ILE A 144 2.002 -7.644 -0.740 1.00 0.00 C ATOM 1192 O ILE A 144 1.791 -7.933 0.436 1.00 0.00 O ATOM 1193 CB ILE A 144 0.008 -6.755 -1.938 1.00 0.00 C ATOM 1194 CG1 ILE A 144 -1.076 -7.054 -2.969 1.00 0.00 C ATOM 1195 CG2 ILE A 144 0.764 -5.488 -2.314 1.00 0.00 C ATOM 1196 CD1 ILE A 144 -0.530 -7.462 -4.320 1.00 0.00 C ATOM 0 H ILE A 144 -0.322 -9.177 -0.709 1.00 0.00 H new ATOM 0 HA ILE A 144 1.479 -8.092 -2.773 1.00 0.00 H new ATOM 0 HB ILE A 144 -0.465 -6.595 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -1.717 -7.850 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -1.703 -6.171 -3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 144 0.064 -4.657 -2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 144 1.506 -5.266 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 144 1.265 -5.634 -3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -1.357 -7.659 -5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 144 0.087 -6.658 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 144 0.073 -8.363 -4.211 1.00 0.00 H new ATOM 1208 N SER A 145 3.109 -7.048 -1.161 1.00 0.00 N ATOM 1209 CA SER A 145 4.193 -6.682 -0.254 1.00 0.00 C ATOM 1210 C SER A 145 4.513 -5.196 -0.390 1.00 0.00 C ATOM 1211 O SER A 145 5.243 -4.795 -1.294 1.00 0.00 O ATOM 1212 CB SER A 145 5.437 -7.515 -0.563 1.00 0.00 C ATOM 1213 OG SER A 145 6.602 -6.917 -0.021 1.00 0.00 O ATOM 0 H SER A 145 3.283 -6.805 -2.136 1.00 0.00 H new ATOM 0 HA SER A 145 3.878 -6.882 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 145 5.317 -8.518 -0.155 1.00 0.00 H new ATOM 0 HB3 SER A 145 5.548 -7.621 -1.642 1.00 0.00 H new ATOM 0 HG SER A 145 7.382 -7.471 -0.232 1.00 0.00 H new ATOM 1219 N LEU A 146 3.956 -4.383 0.502 1.00 0.00 N ATOM 1220 CA LEU A 146 4.177 -2.940 0.461 1.00 0.00 C ATOM 1221 C LEU A 146 5.361 -2.535 1.321 1.00 0.00 C ATOM 1222 O LEU A 146 5.355 -2.732 2.535 1.00 0.00 O ATOM 1223 CB LEU A 146 2.943 -2.180 0.951 1.00 0.00 C ATOM 1224 CG LEU A 146 1.596 -2.787 0.568 1.00 0.00 C ATOM 1225 CD1 LEU A 146 0.541 -2.410 1.597 1.00 0.00 C ATOM 1226 CD2 LEU A 146 1.186 -2.319 -0.819 1.00 0.00 C ATOM 0 H LEU A 146 3.350 -4.697 1.260 1.00 0.00 H new ATOM 0 HA LEU A 146 4.380 -2.685 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 146 2.992 -2.107 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 146 2.987 -1.163 0.561 1.00 0.00 H new ATOM 0 HG LEU A 146 1.688 -3.873 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -0.416 -2.848 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 146 0.837 -2.786 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 146 0.445 -1.325 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 146 0.224 -2.758 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 146 1.103 -1.232 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 146 1.937 -2.630 -1.545 1.00 0.00 H new ATOM 1238 N LYS A 147 6.363 -1.945 0.686 1.00 0.00 N ATOM 1239 CA LYS A 147 7.546 -1.487 1.399 1.00 0.00 C ATOM 1240 C LYS A 147 7.425 -0.005 1.721 1.00 0.00 C ATOM 1241 O LYS A 147 7.691 0.849 0.875 1.00 0.00 O ATOM 1242 CB LYS A 147 8.809 -1.745 0.578 1.00 0.00 C ATOM 1243 CG LYS A 147 9.908 -2.442 1.361 1.00 0.00 C ATOM 1244 CD LYS A 147 10.158 -3.849 0.843 1.00 0.00 C ATOM 1245 CE LYS A 147 10.975 -3.835 -0.439 1.00 0.00 C ATOM 1246 NZ LYS A 147 12.085 -4.827 -0.401 1.00 0.00 N ATOM 0 H LYS A 147 6.381 -1.772 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 147 7.622 -2.048 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 147 8.551 -2.352 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.188 -0.795 0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 147 10.828 -1.861 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 147 9.633 -2.485 2.415 1.00 0.00 H new ATOM 0 HD2 LYS A 147 10.681 -4.430 1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 147 9.205 -4.346 0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 147 10.324 -4.051 -1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 147 11.385 -2.837 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 12.618 -4.786 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 12.720 -4.607 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 11.693 -5.782 -0.276 1.00 0.00 H new ATOM 1260 N VAL A 148 7.021 0.294 2.947 1.00 0.00 N ATOM 1261 CA VAL A 148 6.865 1.672 3.382 1.00 0.00 C ATOM 1262 C VAL A 148 8.000 2.076 4.312 1.00 0.00 C ATOM 1263 O VAL A 148 8.769 1.232 4.770 1.00 0.00 O ATOM 1264 CB VAL A 148 5.516 1.889 4.100 1.00 0.00 C ATOM 1265 CG1 VAL A 148 4.357 1.481 3.201 1.00 0.00 C ATOM 1266 CG2 VAL A 148 5.476 1.123 5.414 1.00 0.00 C ATOM 0 H VAL A 148 6.795 -0.401 3.658 1.00 0.00 H new ATOM 0 HA VAL A 148 6.889 2.296 2.488 1.00 0.00 H new ATOM 0 HB VAL A 148 5.415 2.951 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.415 1.642 3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 148 4.373 2.082 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 148 4.452 0.427 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 148 4.517 1.290 5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 148 5.603 0.058 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 148 6.280 1.471 6.063 1.00 0.00 H new ATOM 1276 N ILE A 149 8.104 3.367 4.588 1.00 0.00 N ATOM 1277 CA ILE A 149 9.153 3.867 5.465 1.00 0.00 C ATOM 1278 C ILE A 149 8.597 4.191 6.853 1.00 0.00 C ATOM 1279 O ILE A 149 7.462 4.650 6.985 1.00 0.00 O ATOM 1280 CB ILE A 149 9.846 5.108 4.851 1.00 0.00 C ATOM 1281 CG1 ILE A 149 11.116 4.679 4.111 1.00 0.00 C ATOM 1282 CG2 ILE A 149 10.171 6.155 5.912 1.00 0.00 C ATOM 1283 CD1 ILE A 149 11.207 5.221 2.702 1.00 0.00 C ATOM 0 H ILE A 149 7.479 4.084 4.220 1.00 0.00 H new ATOM 0 HA ILE A 149 9.900 3.081 5.573 1.00 0.00 H new ATOM 0 HB ILE A 149 9.155 5.567 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 149 11.986 5.012 4.677 1.00 0.00 H new ATOM 0 HG13 ILE A 149 11.156 3.590 4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 149 10.656 7.010 5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 149 9.250 6.481 6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 149 10.839 5.723 6.657 1.00 0.00 H new ATOM 0 HD11 ILE A 149 12.132 4.877 2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 149 10.356 4.867 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 149 11.199 6.311 2.730 1.00 0.00 H new ATOM 1295 N PRO A 150 9.396 3.952 7.908 1.00 0.00 N ATOM 1296 CA PRO A 150 8.983 4.214 9.290 1.00 0.00 C ATOM 1297 C PRO A 150 8.556 5.662 9.502 1.00 0.00 C ATOM 1298 O PRO A 150 9.223 6.590 9.046 1.00 0.00 O ATOM 1299 CB PRO A 150 10.238 3.898 10.119 1.00 0.00 C ATOM 1300 CG PRO A 150 11.361 3.864 9.137 1.00 0.00 C ATOM 1301 CD PRO A 150 10.761 3.408 7.841 1.00 0.00 C ATOM 0 HA PRO A 150 8.116 3.615 9.570 1.00 0.00 H new ATOM 0 HB2 PRO A 150 10.406 4.657 10.883 1.00 0.00 H new ATOM 0 HB3 PRO A 150 10.138 2.943 10.635 1.00 0.00 H new ATOM 0 HG2 PRO A 150 11.817 4.848 9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 150 12.146 3.183 9.465 1.00 0.00 H new ATOM 0 HD2 PRO A 150 11.310 3.795 6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 150 10.760 2.321 7.755 1.00 0.00 H new ATOM 1309 N ASN A 151 7.439 5.844 10.197 1.00 0.00 N ATOM 1310 CA ASN A 151 6.921 7.180 10.472 1.00 0.00 C ATOM 1311 C ASN A 151 7.717 7.853 11.586 1.00 0.00 C ATOM 1312 O ASN A 151 7.315 7.839 12.748 1.00 0.00 O ATOM 1313 CB ASN A 151 5.439 7.111 10.852 1.00 0.00 C ATOM 1314 CG ASN A 151 5.193 6.263 12.086 1.00 0.00 C ATOM 1315 OD1 ASN A 151 5.042 4.959 11.887 1.00 0.00 O flip ATOM 1316 ND2 ASN A 151 5.136 6.774 13.204 1.00 0.00 N flip ATOM 0 H ASN A 151 6.875 5.085 10.580 1.00 0.00 H new ATOM 0 HA ASN A 151 7.025 7.776 9.566 1.00 0.00 H new ATOM 0 HB2 ASN A 151 5.065 8.120 11.028 1.00 0.00 H new ATOM 0 HB3 ASN A 151 4.872 6.703 10.016 1.00 0.00 H new ATOM 0 HD21 ASN A 151 5.258 7.781 13.311 1.00 0.00 H new ATOM 0 HD22 ASN A 151 4.967 6.191 14.023 1.00 0.00 H new