USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=14 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 124 ASN : amide:sc= -0.195 K(o=-2.1,f=-0.22) USER MOD Set 1.2: A 126 THR OG1 : rot -83:sc= 0.688 USER MOD Set 1.3: A 127 ASN : amide:sc= -2.57 K(o=-2.1,f=-0.22) USER MOD Set 2.1: A 121 ASN : amide:sc= -2.75 K(o=-2.7,f=-4.6!) USER MOD Set 2.2: A 140 THR OG1 : rot -170:sc= 0.0787 USER MOD Set 3.1: A 112 HIS : no HD1:sc= -1.56 X(o=-4.9,f=-5) USER MOD Set 3.2: A 151 ASN : amide:sc= -3.33 K(o=-4.9,f=-5.7!) USER MOD Set 4.1: A 73 GLN : amide:sc= 0 X(o=-0.38,f=-0.061) USER MOD Set 4.2: A 145 SER OG : rot 180:sc= -0.375 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 140:sc= -0.641 (180deg=-0.94) USER MOD Single : A 89 ASN : amide:sc= -0.693 K(o=-0.69,f=-13!) 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) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -126:sc= -0.303 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 108 GLN : amide:sc= -0.561 K(o=-0.56,f=-4.5!) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0803 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= -2.73 K(o=-2.7,f=-0.76) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.6!) USER MOD Single : A 134 GLN : amide:sc= -3.78! C(o=-3.8!,f=-5.1!) USER MOD Single : A 135 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0123) USER MOD Single : A 137 MET CE :methyl 139:sc= -1.27 (180deg=-2.05!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 LYS NZ :NH3+ 155:sc= -0.061 (180deg=-0.378) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 69 12.953 0.729 6.935 1.00 0.00 N ATOM 2 CA VAL A 69 11.917 0.255 5.983 1.00 0.00 C ATOM 3 C VAL A 69 10.998 -0.772 6.634 1.00 0.00 C ATOM 4 O VAL A 69 11.231 -1.207 7.762 1.00 0.00 O ATOM 5 CB VAL A 69 12.554 -0.370 4.728 1.00 0.00 C ATOM 6 CG1 VAL A 69 13.326 0.677 3.941 1.00 0.00 C ATOM 7 CG2 VAL A 69 13.455 -1.536 5.107 1.00 0.00 C ATOM 0 HA VAL A 69 11.333 1.128 5.692 1.00 0.00 H new ATOM 0 HB VAL A 69 11.755 -0.752 4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.768 0.216 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.649 1.473 3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.115 1.094 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.895 -1.963 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.248 -1.184 5.766 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.868 -2.297 5.620 1.00 0.00 H new ATOM 17 N ARG A 70 9.953 -1.152 5.910 1.00 0.00 N ATOM 18 CA ARG A 70 8.985 -2.124 6.400 1.00 0.00 C ATOM 19 C ARG A 70 8.151 -2.646 5.235 1.00 0.00 C ATOM 20 O ARG A 70 8.167 -2.062 4.155 1.00 0.00 O ATOM 21 CB ARG A 70 8.103 -1.481 7.488 1.00 0.00 C ATOM 22 CG ARG A 70 6.649 -1.242 7.096 1.00 0.00 C ATOM 23 CD ARG A 70 5.742 -2.349 7.612 1.00 0.00 C ATOM 24 NE ARG A 70 5.266 -2.077 8.966 1.00 0.00 N ATOM 25 CZ ARG A 70 5.810 -2.593 10.069 1.00 0.00 C ATOM 26 NH1 ARG A 70 6.841 -3.427 9.990 1.00 0.00 N ATOM 27 NH2 ARG A 70 5.316 -2.277 11.259 1.00 0.00 N ATOM 0 H ARG A 70 9.754 -0.798 4.974 1.00 0.00 H new ATOM 0 HA ARG A 70 9.504 -2.971 6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.123 -2.119 8.372 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.546 -0.527 7.774 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.317 -0.283 7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.569 -1.181 6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.889 -2.461 6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.282 -3.296 7.600 1.00 0.00 H new ATOM 0 HE ARG A 70 4.467 -1.453 9.075 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.225 -3.679 9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.249 -3.816 10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.522 -1.641 11.329 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.730 -2.670 12.104 1.00 0.00 H new ATOM 41 N LEU A 71 7.422 -3.738 5.446 1.00 0.00 N ATOM 42 CA LEU A 71 6.597 -4.292 4.381 1.00 0.00 C ATOM 43 C LEU A 71 5.261 -4.806 4.915 1.00 0.00 C ATOM 44 O LEU A 71 5.149 -5.198 6.076 1.00 0.00 O ATOM 45 CB LEU A 71 7.353 -5.398 3.624 1.00 0.00 C ATOM 46 CG LEU A 71 7.001 -6.848 3.995 1.00 0.00 C ATOM 47 CD1 LEU A 71 6.677 -7.648 2.745 1.00 0.00 C ATOM 48 CD2 LEU A 71 8.142 -7.497 4.765 1.00 0.00 C ATOM 0 H LEU A 71 7.386 -4.248 6.329 1.00 0.00 H new ATOM 0 HA LEU A 71 6.379 -3.487 3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.173 -5.266 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.421 -5.254 3.787 1.00 0.00 H new ATOM 0 HG LEU A 71 6.120 -6.836 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.430 -8.673 3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.827 -7.196 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.541 -7.651 2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.873 -8.523 5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.042 -7.499 4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.330 -6.935 5.680 1.00 0.00 H new ATOM 60 N ILE A 72 4.257 -4.810 4.044 1.00 0.00 N ATOM 61 CA ILE A 72 2.925 -5.284 4.399 1.00 0.00 C ATOM 62 C ILE A 72 2.460 -6.333 3.398 1.00 0.00 C ATOM 63 O ILE A 72 2.779 -6.248 2.214 1.00 0.00 O ATOM 64 CB ILE A 72 1.906 -4.130 4.430 1.00 0.00 C ATOM 65 CG1 ILE A 72 2.474 -2.944 5.212 1.00 0.00 C ATOM 66 CG2 ILE A 72 0.590 -4.598 5.035 1.00 0.00 C ATOM 67 CD1 ILE A 72 2.552 -3.180 6.706 1.00 0.00 C ATOM 0 H ILE A 72 4.343 -4.488 3.080 1.00 0.00 H new ATOM 0 HA ILE A 72 2.985 -5.721 5.396 1.00 0.00 H new ATOM 0 HB ILE A 72 1.712 -3.806 3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.472 -2.717 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.855 -2.066 5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.119 -3.770 5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.184 -5.413 4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.761 -4.946 6.053 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.964 -2.296 7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.553 -3.377 7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.195 -4.037 6.906 1.00 0.00 H new ATOM 79 N GLN A 73 1.714 -7.327 3.871 1.00 0.00 N ATOM 80 CA GLN A 73 1.233 -8.383 2.993 1.00 0.00 C ATOM 81 C GLN A 73 -0.265 -8.612 3.155 1.00 0.00 C ATOM 82 O GLN A 73 -0.742 -8.933 4.244 1.00 0.00 O ATOM 83 CB GLN A 73 1.991 -9.683 3.264 1.00 0.00 C ATOM 84 CG GLN A 73 3.238 -9.850 2.410 1.00 0.00 C ATOM 85 CD GLN A 73 3.287 -11.191 1.702 1.00 0.00 C ATOM 86 OE1 GLN A 73 3.429 -12.235 2.336 1.00 0.00 O ATOM 87 NE2 GLN A 73 3.169 -11.166 0.379 1.00 0.00 N ATOM 0 H GLN A 73 1.433 -7.421 4.847 1.00 0.00 H new ATOM 0 HA GLN A 73 1.414 -8.065 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.274 -9.716 4.316 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.324 -10.527 3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.276 -9.051 1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.122 -9.743 3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.053 -10.276 -0.106 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.195 -12.037 -0.152 1.00 0.00 H new ATOM 96 N PHE A 74 -0.996 -8.462 2.057 1.00 0.00 N ATOM 97 CA PHE A 74 -2.440 -8.669 2.064 1.00 0.00 C ATOM 98 C PHE A 74 -2.901 -9.237 0.725 1.00 0.00 C ATOM 99 O PHE A 74 -2.331 -8.920 -0.319 1.00 0.00 O ATOM 100 CB PHE A 74 -3.180 -7.364 2.372 1.00 0.00 C ATOM 101 CG PHE A 74 -2.829 -6.229 1.453 1.00 0.00 C ATOM 102 CD1 PHE A 74 -3.162 -6.275 0.109 1.00 0.00 C ATOM 103 CD2 PHE A 74 -2.171 -5.111 1.938 1.00 0.00 C ATOM 104 CE1 PHE A 74 -2.844 -5.227 -0.734 1.00 0.00 C ATOM 105 CE2 PHE A 74 -1.850 -4.061 1.101 1.00 0.00 C ATOM 106 CZ PHE A 74 -2.187 -4.118 -0.237 1.00 0.00 C ATOM 0 H PHE A 74 -0.613 -8.198 1.149 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.676 -9.386 2.850 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.253 -7.545 2.315 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.961 -7.068 3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.676 -7.140 -0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.906 -5.060 2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.109 -5.275 -1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.336 -3.196 1.492 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.937 -3.297 -0.893 1.00 0.00 H new ATOM 116 N GLU A 75 -3.925 -10.086 0.759 1.00 0.00 N ATOM 117 CA GLU A 75 -4.440 -10.702 -0.461 1.00 0.00 C ATOM 118 C GLU A 75 -5.843 -10.207 -0.796 1.00 0.00 C ATOM 119 O GLU A 75 -6.595 -9.785 0.082 1.00 0.00 O ATOM 120 CB GLU A 75 -4.437 -12.232 -0.328 1.00 0.00 C ATOM 121 CG GLU A 75 -5.657 -12.805 0.384 1.00 0.00 C ATOM 122 CD GLU A 75 -5.619 -12.587 1.885 1.00 0.00 C ATOM 123 OE1 GLU A 75 -4.656 -11.958 2.370 1.00 0.00 O ATOM 124 OE2 GLU A 75 -6.553 -13.048 2.574 1.00 0.00 O ATOM 0 H GLU A 75 -4.412 -10.362 1.612 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.781 -10.411 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.373 -12.671 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.540 -12.536 0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.558 -12.346 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.723 -13.873 0.178 1.00 0.00 H new ATOM 244 N GLY A 83 -9.202 -2.116 0.877 1.00 0.00 N ATOM 245 CA GLY A 83 -9.827 -0.806 0.824 1.00 0.00 C ATOM 246 C GLY A 83 -8.887 0.297 1.272 1.00 0.00 C ATOM 247 O GLY A 83 -9.217 1.079 2.164 1.00 0.00 O ATOM 0 HA2 GLY A 83 -10.160 -0.605 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.715 -0.803 1.456 1.00 0.00 H new ATOM 251 N ILE A 84 -7.708 0.352 0.659 1.00 0.00 N ATOM 252 CA ILE A 84 -6.711 1.358 1.006 1.00 0.00 C ATOM 253 C ILE A 84 -6.404 2.276 -0.172 1.00 0.00 C ATOM 254 O ILE A 84 -6.545 1.886 -1.331 1.00 0.00 O ATOM 255 CB ILE A 84 -5.401 0.702 1.483 1.00 0.00 C ATOM 256 CG1 ILE A 84 -4.797 -0.160 0.370 1.00 0.00 C ATOM 257 CG2 ILE A 84 -5.650 -0.134 2.729 1.00 0.00 C ATOM 258 CD1 ILE A 84 -3.294 -0.029 0.253 1.00 0.00 C ATOM 0 H ILE A 84 -7.420 -0.289 -0.081 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.136 1.951 1.816 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.690 1.490 1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.050 -1.204 0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.253 0.116 -0.581 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.715 -0.591 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.037 0.504 3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.376 -0.915 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.935 -0.667 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.035 1.008 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.828 -0.334 1.190 1.00 0.00 H new ATOM 270 N THR A 85 -5.973 3.494 0.136 1.00 0.00 N ATOM 271 CA THR A 85 -5.632 4.471 -0.890 1.00 0.00 C ATOM 272 C THR A 85 -4.459 5.331 -0.434 1.00 0.00 C ATOM 273 O THR A 85 -4.305 5.604 0.757 1.00 0.00 O ATOM 274 CB THR A 85 -6.840 5.353 -1.209 1.00 0.00 C ATOM 275 OG1 THR A 85 -7.925 4.568 -1.672 1.00 0.00 O ATOM 276 CG2 THR A 85 -6.553 6.404 -2.259 1.00 0.00 C ATOM 0 H THR A 85 -5.851 3.829 1.092 1.00 0.00 H new ATOM 0 HA THR A 85 -5.343 3.936 -1.794 1.00 0.00 H new ATOM 0 HB THR A 85 -7.086 5.855 -0.274 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.689 5.150 -1.869 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.452 6.995 -2.438 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.753 7.057 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.248 5.918 -3.186 1.00 0.00 H new ATOM 284 N LEU A 86 -3.632 5.757 -1.383 1.00 0.00 N ATOM 285 CA LEU A 86 -2.476 6.585 -1.065 1.00 0.00 C ATOM 286 C LEU A 86 -2.502 7.890 -1.851 1.00 0.00 C ATOM 287 O LEU A 86 -2.936 7.930 -3.002 1.00 0.00 O ATOM 288 CB LEU A 86 -1.178 5.829 -1.357 1.00 0.00 C ATOM 289 CG LEU A 86 -0.947 5.486 -2.827 1.00 0.00 C ATOM 290 CD1 LEU A 86 0.535 5.300 -3.106 1.00 0.00 C ATOM 291 CD2 LEU A 86 -1.728 4.237 -3.207 1.00 0.00 C ATOM 0 H LEU A 86 -3.741 5.543 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.519 6.822 -0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.339 6.428 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.176 4.905 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.305 6.315 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.679 5.056 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.068 6.221 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.922 4.489 -2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.554 4.005 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.399 3.400 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.792 4.410 -3.045 1.00 0.00 H new ATOM 303 N LYS A 87 -2.028 8.953 -1.216 1.00 0.00 N ATOM 304 CA LYS A 87 -1.985 10.268 -1.840 1.00 0.00 C ATOM 305 C LYS A 87 -0.578 10.846 -1.762 1.00 0.00 C ATOM 306 O LYS A 87 0.086 10.747 -0.731 1.00 0.00 O ATOM 307 CB LYS A 87 -2.972 11.213 -1.154 1.00 0.00 C ATOM 308 CG LYS A 87 -4.422 10.772 -1.278 1.00 0.00 C ATOM 309 CD LYS A 87 -5.250 11.237 -0.091 1.00 0.00 C ATOM 310 CE LYS A 87 -6.692 10.772 -0.200 1.00 0.00 C ATOM 311 NZ LYS A 87 -6.786 9.326 -0.541 1.00 0.00 N ATOM 0 H LYS A 87 -1.666 8.929 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.266 10.161 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.714 11.291 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.866 12.210 -1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.847 11.172 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.468 9.685 -1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.812 10.855 0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.221 12.325 -0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.205 10.956 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.206 11.359 -0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.557 8.890 0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.978 9.221 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.888 8.855 -0.308 1.00 0.00 H new ATOM 325 N LEU A 88 -0.119 11.437 -2.857 1.00 0.00 N ATOM 326 CA LEU A 88 1.215 12.020 -2.897 1.00 0.00 C ATOM 327 C LEU A 88 1.187 13.439 -3.458 1.00 0.00 C ATOM 328 O LEU A 88 0.264 13.816 -4.179 1.00 0.00 O ATOM 329 CB LEU A 88 2.164 11.137 -3.709 1.00 0.00 C ATOM 330 CG LEU A 88 1.616 10.610 -5.032 1.00 0.00 C ATOM 331 CD1 LEU A 88 0.509 9.594 -4.798 1.00 0.00 C ATOM 332 CD2 LEU A 88 1.128 11.763 -5.874 1.00 0.00 C ATOM 0 H LEU A 88 -0.647 11.525 -3.725 1.00 0.00 H new ATOM 0 HA LEU A 88 1.584 12.076 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.071 11.705 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.453 10.286 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 88 2.417 10.099 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.136 9.235 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.901 8.755 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.305 10.063 -4.245 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.737 11.384 -6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.339 12.294 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.955 12.445 -6.071 1.00 0.00 H new ATOM 344 N ASN A 89 2.207 14.219 -3.120 1.00 0.00 N ATOM 345 CA ASN A 89 2.311 15.598 -3.587 1.00 0.00 C ATOM 346 C ASN A 89 2.460 15.642 -5.108 1.00 0.00 C ATOM 347 O ASN A 89 2.115 14.684 -5.799 1.00 0.00 O ATOM 348 CB ASN A 89 3.495 16.294 -2.906 1.00 0.00 C ATOM 349 CG ASN A 89 4.829 15.693 -3.303 1.00 0.00 C ATOM 350 OD1 ASN A 89 4.891 14.780 -4.127 1.00 0.00 O ATOM 351 ND2 ASN A 89 5.906 16.202 -2.716 1.00 0.00 N ATOM 0 H ASN A 89 2.977 13.919 -2.522 1.00 0.00 H new ATOM 0 HA ASN A 89 1.396 16.128 -3.323 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.486 17.353 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.378 16.228 -1.824 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.831 15.837 -2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.808 16.958 -2.039 1.00 0.00 H new ATOM 358 N GLU A 90 2.970 16.754 -5.631 1.00 0.00 N ATOM 359 CA GLU A 90 3.154 16.905 -7.072 1.00 0.00 C ATOM 360 C GLU A 90 4.413 16.182 -7.561 1.00 0.00 C ATOM 361 O GLU A 90 4.786 16.298 -8.728 1.00 0.00 O ATOM 362 CB GLU A 90 3.231 18.387 -7.441 1.00 0.00 C ATOM 363 CG GLU A 90 4.355 19.132 -6.738 1.00 0.00 C ATOM 364 CD GLU A 90 4.575 20.522 -7.304 1.00 0.00 C ATOM 365 OE1 GLU A 90 3.702 21.391 -7.099 1.00 0.00 O ATOM 366 OE2 GLU A 90 5.621 20.740 -7.952 1.00 0.00 O ATOM 0 H GLU A 90 3.262 17.561 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 90 2.294 16.451 -7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.365 18.478 -8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.282 18.864 -7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.126 19.208 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.277 18.558 -6.825 1.00 0.00 H new ATOM 373 N LYS A 91 5.067 15.441 -6.668 1.00 0.00 N ATOM 374 CA LYS A 91 6.280 14.712 -7.022 1.00 0.00 C ATOM 375 C LYS A 91 6.017 13.211 -7.154 1.00 0.00 C ATOM 376 O LYS A 91 6.935 12.437 -7.423 1.00 0.00 O ATOM 377 CB LYS A 91 7.362 14.954 -5.967 1.00 0.00 C ATOM 378 CG LYS A 91 8.357 16.036 -6.354 1.00 0.00 C ATOM 379 CD LYS A 91 7.658 17.348 -6.671 1.00 0.00 C ATOM 380 CE LYS A 91 8.587 18.537 -6.483 1.00 0.00 C ATOM 381 NZ LYS A 91 8.264 19.305 -5.249 1.00 0.00 N ATOM 0 H LYS A 91 4.777 15.331 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 91 6.619 15.082 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.885 15.230 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.901 14.023 -5.791 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.066 16.188 -5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.932 15.710 -7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.295 17.328 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.786 17.461 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.618 18.188 -6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.515 19.195 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.920 20.107 -5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.288 19.661 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.358 18.685 -4.420 1.00 0.00 H new ATOM 395 N GLN A 92 4.766 12.801 -6.959 1.00 0.00 N ATOM 396 CA GLN A 92 4.404 11.390 -7.055 1.00 0.00 C ATOM 397 C GLN A 92 5.179 10.567 -6.029 1.00 0.00 C ATOM 398 O GLN A 92 5.753 9.526 -6.352 1.00 0.00 O ATOM 399 CB GLN A 92 4.677 10.864 -8.466 1.00 0.00 C ATOM 400 CG GLN A 92 3.611 11.256 -9.477 1.00 0.00 C ATOM 401 CD GLN A 92 4.200 11.759 -10.780 1.00 0.00 C ATOM 402 OE1 GLN A 92 4.545 12.933 -10.908 1.00 0.00 O ATOM 403 NE2 GLN A 92 4.317 10.868 -11.759 1.00 0.00 N ATOM 0 H GLN A 92 3.989 13.423 -6.735 1.00 0.00 H new ATOM 0 HA GLN A 92 3.339 11.294 -6.845 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.643 11.239 -8.804 1.00 0.00 H new ATOM 0 HB3 GLN A 92 4.752 9.777 -8.432 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.973 10.395 -9.679 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.975 12.030 -9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.018 9.904 -11.610 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.706 11.148 -12.660 1.00 0.00 H new ATOM 412 N SER A 93 5.196 11.054 -4.793 1.00 0.00 N ATOM 413 CA SER A 93 5.907 10.386 -3.706 1.00 0.00 C ATOM 414 C SER A 93 5.071 9.289 -3.049 1.00 0.00 C ATOM 415 O SER A 93 5.418 8.798 -1.975 1.00 0.00 O ATOM 416 CB SER A 93 6.311 11.419 -2.658 1.00 0.00 C ATOM 417 OG SER A 93 7.714 11.620 -2.648 1.00 0.00 O ATOM 0 H SER A 93 4.723 11.914 -4.517 1.00 0.00 H new ATOM 0 HA SER A 93 6.789 9.909 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.807 12.364 -2.862 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.982 11.089 -1.673 1.00 0.00 H new ATOM 0 HG SER A 93 7.944 12.288 -1.969 1.00 0.00 H new ATOM 423 N CYS A 94 3.978 8.913 -3.701 1.00 0.00 N ATOM 424 CA CYS A 94 3.070 7.871 -3.204 1.00 0.00 C ATOM 425 C CYS A 94 3.071 7.770 -1.678 1.00 0.00 C ATOM 426 O CYS A 94 3.763 6.925 -1.109 1.00 0.00 O ATOM 427 CB CYS A 94 3.435 6.507 -3.799 1.00 0.00 C ATOM 428 SG CYS A 94 5.200 6.281 -4.133 1.00 0.00 S ATOM 0 H CYS A 94 3.690 9.319 -4.591 1.00 0.00 H new ATOM 0 HA CYS A 94 2.068 8.160 -3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.105 5.726 -3.114 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.882 6.370 -4.728 1.00 0.00 H new ATOM 0 HG CYS A 94 5.365 5.930 -5.374 1.00 0.00 H new ATOM 434 N THR A 95 2.285 8.615 -1.017 1.00 0.00 N ATOM 435 CA THR A 95 2.204 8.579 0.437 1.00 0.00 C ATOM 436 C THR A 95 0.870 7.988 0.874 1.00 0.00 C ATOM 437 O THR A 95 -0.188 8.555 0.603 1.00 0.00 O ATOM 438 CB THR A 95 2.386 9.981 1.035 1.00 0.00 C ATOM 439 OG1 THR A 95 3.761 10.312 1.117 1.00 0.00 O ATOM 440 CG2 THR A 95 1.795 10.129 2.426 1.00 0.00 C ATOM 0 H THR A 95 1.702 9.325 -1.460 1.00 0.00 H new ATOM 0 HA THR A 95 3.011 7.946 0.807 1.00 0.00 H new ATOM 0 HB THR A 95 1.853 10.652 0.362 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.859 11.209 1.499 1.00 0.00 H new ATOM 0 HG21 THR A 95 1.961 11.145 2.786 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.724 9.927 2.390 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.275 9.422 3.102 1.00 0.00 H new ATOM 448 N VAL A 96 0.934 6.850 1.555 1.00 0.00 N ATOM 449 CA VAL A 96 -0.261 6.173 2.045 1.00 0.00 C ATOM 450 C VAL A 96 -1.263 7.177 2.618 1.00 0.00 C ATOM 451 O VAL A 96 -0.874 8.153 3.258 1.00 0.00 O ATOM 452 CB VAL A 96 0.116 5.138 3.119 1.00 0.00 C ATOM 453 CG1 VAL A 96 -1.119 4.417 3.631 1.00 0.00 C ATOM 454 CG2 VAL A 96 1.140 4.154 2.564 1.00 0.00 C ATOM 0 H VAL A 96 1.807 6.374 1.782 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.729 5.662 1.204 1.00 0.00 H new ATOM 0 HB VAL A 96 0.566 5.659 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.828 3.690 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.808 5.140 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.609 3.902 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.399 3.426 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.718 3.637 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.036 4.695 2.259 1.00 0.00 H new ATOM 464 N ALA A 97 -2.549 6.950 2.362 1.00 0.00 N ATOM 465 CA ALA A 97 -3.584 7.863 2.835 1.00 0.00 C ATOM 466 C ALA A 97 -4.628 7.170 3.708 1.00 0.00 C ATOM 467 O ALA A 97 -4.590 7.271 4.934 1.00 0.00 O ATOM 468 CB ALA A 97 -4.259 8.538 1.651 1.00 0.00 C ATOM 0 H ALA A 97 -2.896 6.149 1.834 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.093 8.610 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.031 9.218 2.011 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.518 9.099 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.713 7.781 1.011 1.00 0.00 H new ATOM 474 N ARG A 98 -5.581 6.495 3.071 1.00 0.00 N ATOM 475 CA ARG A 98 -6.654 5.822 3.797 1.00 0.00 C ATOM 476 C ARG A 98 -6.344 4.348 4.039 1.00 0.00 C ATOM 477 O ARG A 98 -5.369 3.806 3.519 1.00 0.00 O ATOM 478 CB ARG A 98 -7.981 5.948 3.037 1.00 0.00 C ATOM 479 CG ARG A 98 -8.045 7.139 2.088 1.00 0.00 C ATOM 480 CD ARG A 98 -7.764 8.446 2.811 1.00 0.00 C ATOM 481 NE ARG A 98 -8.966 9.000 3.430 1.00 0.00 N ATOM 482 CZ ARG A 98 -8.974 10.090 4.192 1.00 0.00 C ATOM 483 NH1 ARG A 98 -7.846 10.749 4.434 1.00 0.00 N ATOM 484 NH2 ARG A 98 -10.112 10.526 4.714 1.00 0.00 N ATOM 0 H ARG A 98 -5.632 6.400 2.057 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.739 6.314 4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.149 5.034 2.467 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.794 6.028 3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.321 7.004 1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.031 7.183 1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.006 8.281 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.353 9.169 2.106 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.852 8.522 3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.967 10.420 4.035 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.859 11.584 5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.982 10.025 4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.118 11.362 5.298 1.00 0.00 H new ATOM 498 N ILE A 99 -7.197 3.711 4.836 1.00 0.00 N ATOM 499 CA ILE A 99 -7.051 2.299 5.165 1.00 0.00 C ATOM 500 C ILE A 99 -8.359 1.752 5.736 1.00 0.00 C ATOM 501 O ILE A 99 -8.804 2.171 6.805 1.00 0.00 O ATOM 502 CB ILE A 99 -5.885 2.074 6.167 1.00 0.00 C ATOM 503 CG1 ILE A 99 -4.677 1.481 5.443 1.00 0.00 C ATOM 504 CG2 ILE A 99 -6.299 1.171 7.326 1.00 0.00 C ATOM 505 CD1 ILE A 99 -3.351 1.879 6.051 1.00 0.00 C ATOM 0 H ILE A 99 -8.005 4.158 5.270 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.813 1.760 4.248 1.00 0.00 H new ATOM 0 HB ILE A 99 -5.616 3.044 6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.758 0.394 5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.698 1.797 4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.455 1.039 8.004 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.129 1.628 7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.608 0.200 6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.539 1.421 5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.248 2.964 6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.309 1.539 7.086 1.00 0.00 H new ATOM 517 N LEU A 100 -8.973 0.822 5.012 1.00 0.00 N ATOM 518 CA LEU A 100 -10.234 0.226 5.445 1.00 0.00 C ATOM 519 C LEU A 100 -10.114 -0.356 6.850 1.00 0.00 C ATOM 520 O LEU A 100 -9.262 -1.206 7.112 1.00 0.00 O ATOM 521 CB LEU A 100 -10.668 -0.866 4.463 1.00 0.00 C ATOM 522 CG LEU A 100 -12.157 -1.212 4.492 1.00 0.00 C ATOM 523 CD1 LEU A 100 -12.566 -1.705 5.872 1.00 0.00 C ATOM 524 CD2 LEU A 100 -12.991 -0.006 4.086 1.00 0.00 C ATOM 0 H LEU A 100 -8.620 0.465 4.124 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.989 1.012 5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.404 -0.551 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.097 -1.770 4.674 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.338 -2.013 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.629 -1.946 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.992 -2.596 6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.371 -0.926 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -14.048 -0.269 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.805 0.815 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.718 0.302 3.076 1.00 0.00 H new ATOM 585 N ILE A 105 -6.349 -4.817 6.786 1.00 0.00 N ATOM 586 CA ILE A 105 -5.244 -3.868 6.734 1.00 0.00 C ATOM 587 C ILE A 105 -5.127 -3.110 8.050 1.00 0.00 C ATOM 588 O ILE A 105 -4.142 -3.249 8.775 1.00 0.00 O ATOM 589 CB ILE A 105 -5.418 -2.855 5.586 1.00 0.00 C ATOM 590 CG1 ILE A 105 -5.692 -3.584 4.268 1.00 0.00 C ATOM 591 CG2 ILE A 105 -4.182 -1.974 5.470 1.00 0.00 C ATOM 592 CD1 ILE A 105 -4.459 -4.207 3.648 1.00 0.00 C ATOM 0 HA ILE A 105 -4.336 -4.444 6.557 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.274 -2.218 5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.434 -4.364 4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.129 -2.881 3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.317 -1.263 4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -4.032 -1.432 6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.310 -2.596 5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.732 -4.705 2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.723 -3.430 3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.033 -4.935 4.338 1.00 0.00 H new ATOM 604 N HIS A 106 -6.147 -2.315 8.356 1.00 0.00 N ATOM 605 CA HIS A 106 -6.168 -1.539 9.592 1.00 0.00 C ATOM 606 C HIS A 106 -5.935 -2.442 10.801 1.00 0.00 C ATOM 607 O HIS A 106 -5.459 -1.992 11.843 1.00 0.00 O ATOM 608 CB HIS A 106 -7.506 -0.812 9.734 1.00 0.00 C ATOM 609 CG HIS A 106 -7.543 0.159 10.873 1.00 0.00 C ATOM 610 ND1 HIS A 106 -7.992 -0.175 12.134 1.00 0.00 N ATOM 611 CD2 HIS A 106 -7.180 1.462 10.938 1.00 0.00 C ATOM 612 CE1 HIS A 106 -7.907 0.880 12.924 1.00 0.00 C ATOM 613 NE2 HIS A 106 -7.416 1.886 12.223 1.00 0.00 N ATOM 0 H HIS A 106 -6.970 -2.191 7.766 1.00 0.00 H new ATOM 0 HA HIS A 106 -5.364 -0.804 9.549 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -7.721 -0.280 8.807 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -8.298 -1.549 9.870 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -6.780 2.057 10.130 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -8.191 0.914 13.966 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -7.240 2.826 12.578 1.00 0.00 H new ATOM 622 N ARG A 107 -6.274 -3.719 10.652 1.00 0.00 N ATOM 623 CA ARG A 107 -6.103 -4.689 11.727 1.00 0.00 C ATOM 624 C ARG A 107 -4.641 -5.109 11.854 1.00 0.00 C ATOM 625 O ARG A 107 -4.170 -5.421 12.947 1.00 0.00 O ATOM 626 CB ARG A 107 -6.977 -5.919 11.477 1.00 0.00 C ATOM 627 CG ARG A 107 -7.413 -6.625 12.749 1.00 0.00 C ATOM 628 CD ARG A 107 -6.255 -7.363 13.400 1.00 0.00 C ATOM 629 NE ARG A 107 -6.678 -8.629 13.997 1.00 0.00 N ATOM 630 CZ ARG A 107 -5.834 -9.554 14.448 1.00 0.00 C ATOM 631 NH1 ARG A 107 -4.523 -9.360 14.373 1.00 0.00 N ATOM 632 NH2 ARG A 107 -6.303 -10.677 14.975 1.00 0.00 N ATOM 0 H ARG A 107 -6.669 -4.106 9.795 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.410 -4.216 12.660 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.862 -5.617 10.917 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.429 -6.623 10.851 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.821 -5.896 13.449 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.212 -7.330 12.520 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.482 -7.554 12.655 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.809 -6.731 14.168 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.678 -8.814 14.072 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.157 -8.498 13.968 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.881 -10.073 14.720 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.310 -10.831 15.034 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -5.657 -11.387 15.321 1.00 0.00 H new ATOM 646 N GLN A 108 -3.929 -5.114 10.729 1.00 0.00 N ATOM 647 CA GLN A 108 -2.518 -5.497 10.715 1.00 0.00 C ATOM 648 C GLN A 108 -1.748 -4.804 11.836 1.00 0.00 C ATOM 649 O GLN A 108 -1.043 -5.452 12.611 1.00 0.00 O ATOM 650 CB GLN A 108 -1.885 -5.153 9.363 1.00 0.00 C ATOM 651 CG GLN A 108 -2.354 -6.048 8.227 1.00 0.00 C ATOM 652 CD GLN A 108 -1.205 -6.670 7.458 1.00 0.00 C ATOM 653 OE1 GLN A 108 -0.042 -6.323 7.666 1.00 0.00 O ATOM 654 NE2 GLN A 108 -1.526 -7.596 6.560 1.00 0.00 N ATOM 0 H GLN A 108 -4.305 -4.858 9.816 1.00 0.00 H new ATOM 0 HA GLN A 108 -2.464 -6.574 10.874 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -2.115 -4.116 9.117 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.801 -5.227 9.449 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -2.986 -6.839 8.631 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -2.971 -5.466 7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.503 -7.853 6.420 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -0.795 -8.049 6.011 1.00 0.00 H new ATOM 663 N GLY A 109 -1.889 -3.485 11.919 1.00 0.00 N ATOM 664 CA GLY A 109 -1.203 -2.728 12.949 1.00 0.00 C ATOM 665 C GLY A 109 0.163 -2.242 12.500 1.00 0.00 C ATOM 666 O GLY A 109 0.518 -1.085 12.717 1.00 0.00 O ATOM 0 H GLY A 109 -2.467 -2.927 11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.814 -1.872 13.234 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.090 -3.349 13.838 1.00 0.00 H new ATOM 670 N SER A 110 0.929 -3.131 11.875 1.00 0.00 N ATOM 671 CA SER A 110 2.262 -2.788 11.395 1.00 0.00 C ATOM 672 C SER A 110 2.212 -1.603 10.435 1.00 0.00 C ATOM 673 O SER A 110 3.186 -0.863 10.299 1.00 0.00 O ATOM 674 CB SER A 110 2.904 -3.995 10.703 1.00 0.00 C ATOM 675 OG SER A 110 2.163 -5.179 10.947 1.00 0.00 O ATOM 0 H SER A 110 0.649 -4.094 11.689 1.00 0.00 H new ATOM 0 HA SER A 110 2.867 -2.506 12.256 1.00 0.00 H new ATOM 0 HB2 SER A 110 2.962 -3.814 9.630 1.00 0.00 H new ATOM 0 HB3 SER A 110 3.926 -4.122 11.061 1.00 0.00 H new ATOM 0 HG SER A 110 2.593 -5.933 10.493 1.00 0.00 H new ATOM 681 N LEU A 111 1.074 -1.430 9.768 1.00 0.00 N ATOM 682 CA LEU A 111 0.906 -0.335 8.821 1.00 0.00 C ATOM 683 C LEU A 111 0.784 1.001 9.543 1.00 0.00 C ATOM 684 O LEU A 111 0.758 1.057 10.773 1.00 0.00 O ATOM 685 CB LEU A 111 -0.330 -0.568 7.945 1.00 0.00 C ATOM 686 CG LEU A 111 -0.033 -0.914 6.484 1.00 0.00 C ATOM 687 CD1 LEU A 111 -1.328 -1.038 5.693 1.00 0.00 C ATOM 688 CD2 LEU A 111 0.877 0.136 5.859 1.00 0.00 C ATOM 0 H LEU A 111 0.257 -2.033 9.866 1.00 0.00 H new ATOM 0 HA LEU A 111 1.792 -0.305 8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.919 -1.375 8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.949 0.329 7.971 1.00 0.00 H new ATOM 0 HG LEU A 111 0.482 -1.874 6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.099 -1.284 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.944 -1.826 6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.869 -0.092 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.077 -0.127 4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.390 1.110 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.817 0.178 6.410 1.00 0.00 H new ATOM 700 N HIS A 112 0.709 2.074 8.765 1.00 0.00 N ATOM 701 CA HIS A 112 0.588 3.417 9.313 1.00 0.00 C ATOM 702 C HIS A 112 0.466 4.440 8.188 1.00 0.00 C ATOM 703 O HIS A 112 1.466 4.859 7.608 1.00 0.00 O ATOM 704 CB HIS A 112 1.799 3.744 10.189 1.00 0.00 C ATOM 705 CG HIS A 112 1.558 3.523 11.650 1.00 0.00 C ATOM 706 ND1 HIS A 112 0.460 4.024 12.317 1.00 0.00 N ATOM 707 CD2 HIS A 112 2.281 2.848 12.575 1.00 0.00 C ATOM 708 CE1 HIS A 112 0.519 3.667 13.588 1.00 0.00 C ATOM 709 NE2 HIS A 112 1.614 2.952 13.769 1.00 0.00 N ATOM 0 H HIS A 112 0.730 2.038 7.746 1.00 0.00 H new ATOM 0 HA HIS A 112 -0.312 3.460 9.926 1.00 0.00 H new ATOM 0 HB2 HIS A 112 2.643 3.131 9.872 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.082 4.784 10.029 1.00 0.00 H new ATOM 0 HD2 HIS A 112 3.210 2.325 12.404 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -0.205 3.917 14.349 1.00 0.00 H new ATOM 0 HE2 HIS A 112 1.915 2.543 14.654 1.00 0.00 H new ATOM 718 N VAL A 113 -0.767 4.832 7.878 1.00 0.00 N ATOM 719 CA VAL A 113 -1.015 5.800 6.814 1.00 0.00 C ATOM 720 C VAL A 113 -0.096 7.008 6.934 1.00 0.00 C ATOM 721 O VAL A 113 0.466 7.277 7.996 1.00 0.00 O ATOM 722 CB VAL A 113 -2.484 6.273 6.804 1.00 0.00 C ATOM 723 CG1 VAL A 113 -3.431 5.081 6.854 1.00 0.00 C ATOM 724 CG2 VAL A 113 -2.754 7.228 7.957 1.00 0.00 C ATOM 0 H VAL A 113 -1.608 4.495 8.347 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.806 5.288 5.875 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.662 6.812 5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.462 5.435 6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.260 4.443 5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.250 4.511 7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.796 7.547 7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.555 6.723 8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.105 8.099 7.868 1.00 0.00 H new ATOM 734 N GLY A 114 0.053 7.725 5.830 1.00 0.00 N ATOM 735 CA GLY A 114 0.907 8.893 5.813 1.00 0.00 C ATOM 736 C GLY A 114 2.348 8.554 5.482 1.00 0.00 C ATOM 737 O GLY A 114 3.090 9.398 4.979 1.00 0.00 O ATOM 0 H GLY A 114 -0.405 7.517 4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.528 9.606 5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.867 9.383 6.786 1.00 0.00 H new ATOM 741 N ASP A 115 2.747 7.314 5.757 1.00 0.00 N ATOM 742 CA ASP A 115 4.106 6.872 5.477 1.00 0.00 C ATOM 743 C ASP A 115 4.391 6.957 3.981 1.00 0.00 C ATOM 744 O ASP A 115 3.620 7.556 3.231 1.00 0.00 O ATOM 745 CB ASP A 115 4.315 5.439 5.978 1.00 0.00 C ATOM 746 CG ASP A 115 4.153 5.325 7.481 1.00 0.00 C ATOM 747 OD1 ASP A 115 3.513 6.216 8.079 1.00 0.00 O ATOM 748 OD2 ASP A 115 4.666 4.346 8.061 1.00 0.00 O ATOM 0 H ASP A 115 2.148 6.601 6.173 1.00 0.00 H new ATOM 0 HA ASP A 115 4.800 7.528 6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.602 4.777 5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.312 5.100 5.696 1.00 0.00 H new ATOM 753 N GLU A 116 5.493 6.357 3.548 1.00 0.00 N ATOM 754 CA GLU A 116 5.859 6.376 2.139 1.00 0.00 C ATOM 755 C GLU A 116 6.059 4.960 1.611 1.00 0.00 C ATOM 756 O GLU A 116 6.458 4.061 2.352 1.00 0.00 O ATOM 757 CB GLU A 116 7.127 7.207 1.925 1.00 0.00 C ATOM 758 CG GLU A 116 8.405 6.504 2.356 1.00 0.00 C ATOM 759 CD GLU A 116 9.203 7.308 3.366 1.00 0.00 C ATOM 760 OE1 GLU A 116 8.690 7.535 4.482 1.00 0.00 O ATOM 761 OE2 GLU A 116 10.341 7.708 3.041 1.00 0.00 O ATOM 0 H GLU A 116 6.145 5.854 4.149 1.00 0.00 H new ATOM 0 HA GLU A 116 5.042 6.837 1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 116 7.205 7.467 0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 116 7.034 8.142 2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.154 5.534 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.024 6.313 1.479 1.00 0.00 H new ATOM 768 N ILE A 117 5.783 4.777 0.325 1.00 0.00 N ATOM 769 CA ILE A 117 5.931 3.479 -0.320 1.00 0.00 C ATOM 770 C ILE A 117 6.998 3.546 -1.411 1.00 0.00 C ATOM 771 O ILE A 117 6.970 4.433 -2.265 1.00 0.00 O ATOM 772 CB ILE A 117 4.593 3.003 -0.927 1.00 0.00 C ATOM 773 CG1 ILE A 117 3.511 2.953 0.152 1.00 0.00 C ATOM 774 CG2 ILE A 117 4.752 1.639 -1.586 1.00 0.00 C ATOM 775 CD1 ILE A 117 2.124 2.699 -0.395 1.00 0.00 C ATOM 0 H ILE A 117 5.453 5.517 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 117 6.239 2.762 0.441 1.00 0.00 H new ATOM 0 HB ILE A 117 4.290 3.716 -1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.759 2.170 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.510 3.896 0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.797 1.324 -2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.495 1.703 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.078 0.912 -0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.408 2.676 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 117 1.855 3.495 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 117 2.108 1.742 -0.917 1.00 0.00 H new ATOM 787 N LEU A 118 7.945 2.613 -1.368 1.00 0.00 N ATOM 788 CA LEU A 118 9.031 2.580 -2.344 1.00 0.00 C ATOM 789 C LEU A 118 8.737 1.615 -3.485 1.00 0.00 C ATOM 790 O LEU A 118 9.028 1.904 -4.646 1.00 0.00 O ATOM 791 CB LEU A 118 10.340 2.183 -1.666 1.00 0.00 C ATOM 792 CG LEU A 118 10.228 1.048 -0.645 1.00 0.00 C ATOM 793 CD1 LEU A 118 11.479 0.183 -0.671 1.00 0.00 C ATOM 794 CD2 LEU A 118 9.994 1.610 0.749 1.00 0.00 C ATOM 0 H LEU A 118 7.983 1.871 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 118 9.122 3.583 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 118 11.054 1.889 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 118 10.752 3.060 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 118 9.375 0.424 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.382 -0.619 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.604 -0.246 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.349 0.793 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 118 9.917 0.790 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 118 10.828 2.255 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 118 9.070 2.188 0.758 1.00 0.00 H new ATOM 806 N GLU A 119 8.162 0.468 -3.151 1.00 0.00 N ATOM 807 CA GLU A 119 7.830 -0.536 -4.148 1.00 0.00 C ATOM 808 C GLU A 119 6.840 -1.538 -3.590 1.00 0.00 C ATOM 809 O GLU A 119 6.995 -2.039 -2.475 1.00 0.00 O ATOM 810 CB GLU A 119 9.084 -1.263 -4.624 1.00 0.00 C ATOM 811 CG GLU A 119 9.813 -2.005 -3.519 1.00 0.00 C ATOM 812 CD GLU A 119 11.317 -2.020 -3.719 1.00 0.00 C ATOM 813 OE1 GLU A 119 11.931 -0.933 -3.686 1.00 0.00 O ATOM 814 OE2 GLU A 119 11.878 -3.119 -3.909 1.00 0.00 O ATOM 0 H GLU A 119 7.916 0.211 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 119 7.376 -0.025 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.809 -1.971 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.764 -0.540 -5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.582 -1.540 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.446 -3.030 -3.472 1.00 0.00 H new ATOM 821 N ILE A 120 5.825 -1.825 -4.380 1.00 0.00 N ATOM 822 CA ILE A 120 4.792 -2.774 -3.982 1.00 0.00 C ATOM 823 C ILE A 120 4.806 -4.010 -4.869 1.00 0.00 C ATOM 824 O ILE A 120 5.062 -3.934 -6.068 1.00 0.00 O ATOM 825 CB ILE A 120 3.375 -2.139 -3.969 1.00 0.00 C ATOM 826 CG1 ILE A 120 2.591 -2.437 -5.254 1.00 0.00 C ATOM 827 CG2 ILE A 120 3.477 -0.645 -3.745 1.00 0.00 C ATOM 828 CD1 ILE A 120 3.265 -1.948 -6.515 1.00 0.00 C ATOM 0 H ILE A 120 5.689 -1.416 -5.305 1.00 0.00 H new ATOM 0 HA ILE A 120 5.027 -3.072 -2.960 1.00 0.00 H new ATOM 0 HB ILE A 120 2.822 -2.591 -3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 120 2.436 -3.513 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 120 1.605 -1.978 -5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.478 -0.209 -3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 120 3.964 -0.453 -2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.063 -0.196 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.647 -2.197 -7.378 1.00 0.00 H new ATOM 0 HD12 ILE A 120 3.395 -0.867 -6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 120 4.239 -2.426 -6.616 1.00 0.00 H new ATOM 840 N ASN A 121 4.533 -5.146 -4.253 1.00 0.00 N ATOM 841 CA ASN A 121 4.512 -6.428 -4.957 1.00 0.00 C ATOM 842 C ASN A 121 5.702 -6.565 -5.908 1.00 0.00 C ATOM 843 O ASN A 121 5.610 -7.233 -6.937 1.00 0.00 O ATOM 844 CB ASN A 121 3.205 -6.587 -5.737 1.00 0.00 C ATOM 845 CG ASN A 121 2.573 -7.949 -5.526 1.00 0.00 C ATOM 846 OD1 ASN A 121 2.890 -8.650 -4.565 1.00 0.00 O ATOM 847 ND2 ASN A 121 1.677 -8.331 -6.427 1.00 0.00 N ATOM 0 H ASN A 121 4.320 -5.213 -3.258 1.00 0.00 H new ATOM 0 HA ASN A 121 4.583 -7.216 -4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 121 2.504 -5.812 -5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 121 3.398 -6.439 -6.800 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.220 -9.239 -6.339 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.445 -7.717 -7.208 1.00 0.00 H new ATOM 854 N GLY A 122 6.818 -5.929 -5.559 1.00 0.00 N ATOM 855 CA GLY A 122 8.002 -5.999 -6.398 1.00 0.00 C ATOM 856 C GLY A 122 7.927 -5.060 -7.588 1.00 0.00 C ATOM 857 O GLY A 122 8.503 -5.334 -8.641 1.00 0.00 O ATOM 0 H GLY A 122 6.923 -5.369 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 122 8.881 -5.755 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 122 8.132 -7.021 -6.753 1.00 0.00 H new ATOM 861 N THR A 123 7.212 -3.953 -7.421 1.00 0.00 N ATOM 862 CA THR A 123 7.056 -2.970 -8.490 1.00 0.00 C ATOM 863 C THR A 123 7.495 -1.585 -8.023 1.00 0.00 C ATOM 864 O THR A 123 7.337 -1.234 -6.854 1.00 0.00 O ATOM 865 CB THR A 123 5.598 -2.929 -8.959 1.00 0.00 C ATOM 866 OG1 THR A 123 5.255 -4.129 -9.632 1.00 0.00 O ATOM 867 CG2 THR A 123 5.291 -1.778 -9.894 1.00 0.00 C ATOM 0 H THR A 123 6.730 -3.712 -6.555 1.00 0.00 H new ATOM 0 HA THR A 123 7.691 -3.268 -9.324 1.00 0.00 H new ATOM 0 HB THR A 123 5.011 -2.798 -8.050 1.00 0.00 H new ATOM 0 HG1 THR A 123 4.320 -4.085 -9.923 1.00 0.00 H new ATOM 0 HG21 THR A 123 4.241 -1.815 -10.183 1.00 0.00 H new ATOM 0 HG22 THR A 123 5.495 -0.834 -9.389 1.00 0.00 H new ATOM 0 HG23 THR A 123 5.916 -1.856 -10.784 1.00 0.00 H new ATOM 875 N ASN A 124 8.047 -0.804 -8.945 1.00 0.00 N ATOM 876 CA ASN A 124 8.510 0.543 -8.630 1.00 0.00 C ATOM 877 C ASN A 124 7.334 1.508 -8.495 1.00 0.00 C ATOM 878 O ASN A 124 6.923 2.139 -9.467 1.00 0.00 O ATOM 879 CB ASN A 124 9.473 1.038 -9.709 1.00 0.00 C ATOM 880 CG ASN A 124 10.926 0.906 -9.293 1.00 0.00 C ATOM 881 OD1 ASN A 124 11.737 1.797 -9.540 1.00 0.00 O ATOM 882 ND2 ASN A 124 11.260 -0.212 -8.658 1.00 0.00 N ATOM 0 H ASN A 124 8.185 -1.080 -9.917 1.00 0.00 H new ATOM 0 HA ASN A 124 9.034 0.506 -7.675 1.00 0.00 H new ATOM 0 HB2 ASN A 124 9.308 0.473 -10.626 1.00 0.00 H new ATOM 0 HB3 ASN A 124 9.256 2.082 -9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.223 -0.358 -8.354 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.554 -0.925 -8.474 1.00 0.00 H new ATOM 889 N VAL A 125 6.806 1.622 -7.282 1.00 0.00 N ATOM 890 CA VAL A 125 5.684 2.515 -7.017 1.00 0.00 C ATOM 891 C VAL A 125 6.161 3.957 -6.834 1.00 0.00 C ATOM 892 O VAL A 125 5.355 4.873 -6.680 1.00 0.00 O ATOM 893 CB VAL A 125 4.881 2.058 -5.778 1.00 0.00 C ATOM 894 CG1 VAL A 125 5.811 1.792 -4.615 1.00 0.00 C ATOM 895 CG2 VAL A 125 3.814 3.075 -5.395 1.00 0.00 C ATOM 0 H VAL A 125 7.137 1.107 -6.466 1.00 0.00 H new ATOM 0 HA VAL A 125 5.025 2.474 -7.884 1.00 0.00 H new ATOM 0 HB VAL A 125 4.370 1.130 -6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.230 1.471 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.519 1.009 -4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 125 6.355 2.704 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.270 2.720 -4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 125 4.287 4.030 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 125 3.120 3.205 -6.226 1.00 0.00 H new ATOM 905 N THR A 126 7.478 4.155 -6.864 1.00 0.00 N ATOM 906 CA THR A 126 8.052 5.485 -6.711 1.00 0.00 C ATOM 907 C THR A 126 8.432 6.073 -8.066 1.00 0.00 C ATOM 908 O THR A 126 9.419 6.800 -8.182 1.00 0.00 O ATOM 909 CB THR A 126 9.282 5.432 -5.804 1.00 0.00 C ATOM 910 OG1 THR A 126 10.038 4.260 -6.053 1.00 0.00 O ATOM 911 CG2 THR A 126 8.941 5.454 -4.330 1.00 0.00 C ATOM 0 H THR A 126 8.164 3.411 -6.993 1.00 0.00 H new ATOM 0 HA THR A 126 7.299 6.127 -6.254 1.00 0.00 H new ATOM 0 HB THR A 126 9.854 6.329 -6.041 1.00 0.00 H new ATOM 0 HG1 THR A 126 9.652 3.510 -5.555 1.00 0.00 H new ATOM 0 HG21 THR A 126 9.859 5.414 -3.744 1.00 0.00 H new ATOM 0 HG22 THR A 126 8.400 6.371 -4.095 1.00 0.00 H new ATOM 0 HG23 THR A 126 8.318 4.593 -4.088 1.00 0.00 H new ATOM 919 N ASN A 127 7.645 5.753 -9.091 1.00 0.00 N ATOM 920 CA ASN A 127 7.907 6.251 -10.437 1.00 0.00 C ATOM 921 C ASN A 127 6.613 6.400 -11.232 1.00 0.00 C ATOM 922 O ASN A 127 6.288 7.487 -11.707 1.00 0.00 O ATOM 923 CB ASN A 127 8.864 5.311 -11.173 1.00 0.00 C ATOM 924 CG ASN A 127 10.216 5.214 -10.494 1.00 0.00 C ATOM 925 OD1 ASN A 127 11.179 5.860 -10.908 1.00 0.00 O ATOM 926 ND2 ASN A 127 10.295 4.404 -9.445 1.00 0.00 N ATOM 0 H ASN A 127 6.824 5.153 -9.015 1.00 0.00 H new ATOM 0 HA ASN A 127 8.368 7.235 -10.346 1.00 0.00 H new ATOM 0 HB2 ASN A 127 8.419 4.318 -11.233 1.00 0.00 H new ATOM 0 HB3 ASN A 127 8.999 5.662 -12.196 1.00 0.00 H new ATOM 0 HD21 ASN A 127 11.179 4.298 -8.948 1.00 0.00 H new ATOM 0 HD22 ASN A 127 9.471 3.888 -9.136 1.00 0.00 H new ATOM 933 N HIS A 128 5.880 5.300 -11.375 1.00 0.00 N ATOM 934 CA HIS A 128 4.620 5.311 -12.118 1.00 0.00 C ATOM 935 C HIS A 128 3.524 5.993 -11.309 1.00 0.00 C ATOM 936 O HIS A 128 3.629 6.123 -10.090 1.00 0.00 O ATOM 937 CB HIS A 128 4.180 3.885 -12.475 1.00 0.00 C ATOM 938 CG HIS A 128 5.308 2.907 -12.607 1.00 0.00 C ATOM 939 ND1 HIS A 128 6.256 2.977 -13.605 1.00 0.00 N ATOM 940 CD2 HIS A 128 5.635 1.829 -11.854 1.00 0.00 C ATOM 941 CE1 HIS A 128 7.116 1.984 -13.464 1.00 0.00 C ATOM 942 NE2 HIS A 128 6.762 1.273 -12.409 1.00 0.00 N ATOM 0 H HIS A 128 6.134 4.391 -10.988 1.00 0.00 H new ATOM 0 HA HIS A 128 4.785 5.870 -13.039 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.492 3.527 -11.709 1.00 0.00 H new ATOM 0 HB3 HIS A 128 3.626 3.912 -13.414 1.00 0.00 H new ATOM 0 HD2 HIS A 128 5.108 1.473 -10.981 1.00 0.00 H new ATOM 0 HE1 HIS A 128 7.964 1.787 -14.103 1.00 0.00 H new ATOM 0 HE2 HIS A 128 7.247 0.445 -12.062 1.00 0.00 H new ATOM 951 N SER A 129 2.463 6.416 -11.990 1.00 0.00 N ATOM 952 CA SER A 129 1.346 7.072 -11.321 1.00 0.00 C ATOM 953 C SER A 129 0.729 6.145 -10.291 1.00 0.00 C ATOM 954 O SER A 129 0.727 4.927 -10.465 1.00 0.00 O ATOM 955 CB SER A 129 0.275 7.483 -12.322 1.00 0.00 C ATOM 956 OG SER A 129 0.845 8.088 -13.470 1.00 0.00 O ATOM 0 H SER A 129 2.354 6.317 -12.999 1.00 0.00 H new ATOM 0 HA SER A 129 1.734 7.964 -10.828 1.00 0.00 H new ATOM 0 HB2 SER A 129 -0.303 6.608 -12.619 1.00 0.00 H new ATOM 0 HB3 SER A 129 -0.419 8.178 -11.850 1.00 0.00 H new ATOM 0 HG SER A 129 0.133 8.339 -14.095 1.00 0.00 H new ATOM 962 N VAL A 130 0.204 6.719 -9.221 1.00 0.00 N ATOM 963 CA VAL A 130 -0.407 5.926 -8.170 1.00 0.00 C ATOM 964 C VAL A 130 -1.557 5.080 -8.707 1.00 0.00 C ATOM 965 O VAL A 130 -1.764 3.953 -8.262 1.00 0.00 O ATOM 966 CB VAL A 130 -0.902 6.808 -7.013 1.00 0.00 C ATOM 967 CG1 VAL A 130 -1.941 7.806 -7.501 1.00 0.00 C ATOM 968 CG2 VAL A 130 -1.457 5.957 -5.880 1.00 0.00 C ATOM 0 H VAL A 130 0.189 7.726 -9.059 1.00 0.00 H new ATOM 0 HA VAL A 130 0.366 5.259 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 130 -0.050 7.368 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -2.277 8.419 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.500 8.445 -8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -2.791 7.269 -7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -1.801 6.604 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -2.292 5.361 -6.248 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -0.676 5.295 -5.506 1.00 0.00 H new ATOM 978 N ASP A 131 -2.290 5.617 -9.674 1.00 0.00 N ATOM 979 CA ASP A 131 -3.400 4.885 -10.271 1.00 0.00 C ATOM 980 C ASP A 131 -2.883 3.622 -10.948 1.00 0.00 C ATOM 981 O ASP A 131 -3.561 2.594 -10.979 1.00 0.00 O ATOM 982 CB ASP A 131 -4.141 5.764 -11.281 1.00 0.00 C ATOM 983 CG ASP A 131 -5.522 6.162 -10.796 1.00 0.00 C ATOM 984 OD1 ASP A 131 -5.724 6.228 -9.566 1.00 0.00 O ATOM 985 OD2 ASP A 131 -6.402 6.405 -11.649 1.00 0.00 O ATOM 0 H ASP A 131 -2.138 6.549 -10.059 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.099 4.604 -9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.555 6.662 -11.477 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.231 5.230 -12.227 1.00 0.00 H new ATOM 990 N GLN A 132 -1.666 3.705 -11.477 1.00 0.00 N ATOM 991 CA GLN A 132 -1.043 2.571 -12.140 1.00 0.00 C ATOM 992 C GLN A 132 -0.697 1.492 -11.125 1.00 0.00 C ATOM 993 O GLN A 132 -0.960 0.310 -11.347 1.00 0.00 O ATOM 994 CB GLN A 132 0.221 3.014 -12.880 1.00 0.00 C ATOM 995 CG GLN A 132 -0.052 3.976 -14.025 1.00 0.00 C ATOM 996 CD GLN A 132 0.135 3.333 -15.385 1.00 0.00 C ATOM 997 OE1 GLN A 132 0.118 2.109 -15.514 1.00 0.00 O ATOM 998 NE2 GLN A 132 0.315 4.159 -16.410 1.00 0.00 N ATOM 0 H GLN A 132 -1.093 4.549 -11.458 1.00 0.00 H new ATOM 0 HA GLN A 132 -1.750 2.164 -12.863 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.900 3.489 -12.171 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.732 2.133 -13.270 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.072 4.353 -13.943 1.00 0.00 H new ATOM 0 HG3 GLN A 132 0.613 4.835 -13.939 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.322 5.167 -16.257 1.00 0.00 H new ATOM 0 HE22 GLN A 132 0.446 3.785 -17.350 1.00 0.00 H new ATOM 1007 N LEU A 133 -0.108 1.907 -10.005 1.00 0.00 N ATOM 1008 CA LEU A 133 0.272 0.973 -8.952 1.00 0.00 C ATOM 1009 C LEU A 133 -0.960 0.370 -8.296 1.00 0.00 C ATOM 1010 O LEU A 133 -1.042 -0.843 -8.110 1.00 0.00 O ATOM 1011 CB LEU A 133 1.127 1.661 -7.897 1.00 0.00 C ATOM 1012 CG LEU A 133 2.513 2.087 -8.358 1.00 0.00 C ATOM 1013 CD1 LEU A 133 3.207 0.968 -9.118 1.00 0.00 C ATOM 1014 CD2 LEU A 133 2.403 3.331 -9.205 1.00 0.00 C ATOM 0 H LEU A 133 0.115 2.882 -9.805 1.00 0.00 H new ATOM 0 HA LEU A 133 0.855 0.176 -9.413 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.594 2.542 -7.540 1.00 0.00 H new ATOM 0 HB3 LEU A 133 1.236 0.988 -7.046 1.00 0.00 H new ATOM 0 HG LEU A 133 3.122 2.308 -7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.195 1.302 -9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.308 0.097 -8.471 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.616 0.702 -9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.396 3.636 -9.535 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.779 3.125 -10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.954 4.132 -8.618 1.00 0.00 H new ATOM 1026 N GLN A 134 -1.929 1.224 -7.955 1.00 0.00 N ATOM 1027 CA GLN A 134 -3.165 0.760 -7.334 1.00 0.00 C ATOM 1028 C GLN A 134 -3.690 -0.445 -8.098 1.00 0.00 C ATOM 1029 O GLN A 134 -3.908 -1.519 -7.530 1.00 0.00 O ATOM 1030 CB GLN A 134 -4.213 1.876 -7.320 1.00 0.00 C ATOM 1031 CG GLN A 134 -3.901 2.998 -6.341 1.00 0.00 C ATOM 1032 CD GLN A 134 -4.631 4.284 -6.679 1.00 0.00 C ATOM 1033 OE1 GLN A 134 -5.371 4.351 -7.660 1.00 0.00 O ATOM 1034 NE2 GLN A 134 -4.424 5.313 -5.866 1.00 0.00 N ATOM 0 H GLN A 134 -1.879 2.233 -8.099 1.00 0.00 H new ATOM 0 HA GLN A 134 -2.960 0.474 -6.302 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.298 2.294 -8.323 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -5.184 1.447 -7.070 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.174 2.683 -5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.827 3.184 -6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -3.802 5.212 -5.064 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -4.887 6.204 -6.043 1.00 0.00 H new ATOM 1043 N LYS A 135 -3.844 -0.272 -9.406 1.00 0.00 N ATOM 1044 CA LYS A 135 -4.292 -1.357 -10.254 1.00 0.00 C ATOM 1045 C LYS A 135 -3.184 -2.400 -10.355 1.00 0.00 C ATOM 1046 O LYS A 135 -3.451 -3.596 -10.470 1.00 0.00 O ATOM 1047 CB LYS A 135 -4.673 -0.840 -11.640 1.00 0.00 C ATOM 1048 CG LYS A 135 -5.075 -1.943 -12.601 1.00 0.00 C ATOM 1049 CD LYS A 135 -3.858 -2.528 -13.295 1.00 0.00 C ATOM 1050 CE LYS A 135 -4.200 -3.043 -14.683 1.00 0.00 C ATOM 1051 NZ LYS A 135 -5.010 -4.293 -14.629 1.00 0.00 N ATOM 0 H LYS A 135 -3.665 0.605 -9.895 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.180 -1.813 -9.816 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -5.497 -0.134 -11.543 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.830 -0.291 -12.060 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -5.602 -2.728 -12.059 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -5.768 -1.548 -13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -3.080 -1.768 -13.370 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -3.452 -3.342 -12.694 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -4.751 -2.277 -15.229 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -3.280 -3.230 -15.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -5.136 -4.667 -15.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -4.519 -5.000 -14.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -5.941 -4.086 -14.214 1.00 0.00 H new ATOM 1065 N ALA A 136 -1.931 -1.936 -10.283 1.00 0.00 N ATOM 1066 CA ALA A 136 -0.782 -2.832 -10.335 1.00 0.00 C ATOM 1067 C ALA A 136 -0.857 -3.838 -9.197 1.00 0.00 C ATOM 1068 O ALA A 136 -0.430 -4.985 -9.332 1.00 0.00 O ATOM 1069 CB ALA A 136 0.515 -2.043 -10.255 1.00 0.00 C ATOM 0 H ALA A 136 -1.693 -0.949 -10.189 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.800 -3.368 -11.284 1.00 0.00 H new ATOM 0 HB1 ALA A 136 1.361 -2.729 -10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 136 0.571 -1.348 -11.093 1.00 0.00 H new ATOM 0 HB3 ALA A 136 0.544 -1.485 -9.319 1.00 0.00 H new ATOM 1075 N MET A 137 -1.429 -3.400 -8.081 1.00 0.00 N ATOM 1076 CA MET A 137 -1.595 -4.260 -6.922 1.00 0.00 C ATOM 1077 C MET A 137 -2.663 -5.296 -7.230 1.00 0.00 C ATOM 1078 O MET A 137 -2.466 -6.494 -7.034 1.00 0.00 O ATOM 1079 CB MET A 137 -1.996 -3.439 -5.696 1.00 0.00 C ATOM 1080 CG MET A 137 -0.885 -2.547 -5.170 1.00 0.00 C ATOM 1081 SD MET A 137 -1.244 -1.876 -3.536 1.00 0.00 S ATOM 1082 CE MET A 137 -2.714 -0.911 -3.882 1.00 0.00 C ATOM 0 H MET A 137 -1.785 -2.452 -7.957 1.00 0.00 H new ATOM 0 HA MET A 137 -0.650 -4.757 -6.701 1.00 0.00 H new ATOM 0 HB2 MET A 137 -2.857 -2.821 -5.949 1.00 0.00 H new ATOM 0 HB3 MET A 137 -2.312 -4.117 -4.903 1.00 0.00 H new ATOM 0 HG2 MET A 137 0.043 -3.117 -5.128 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.723 -1.725 -5.868 1.00 0.00 H new ATOM 0 HE1 MET A 137 -3.432 -1.038 -3.072 1.00 0.00 H new ATOM 0 HE2 MET A 137 -2.446 0.142 -3.968 1.00 0.00 H new ATOM 0 HE3 MET A 137 -3.159 -1.249 -4.818 1.00 0.00 H new ATOM 1092 N LYS A 138 -3.789 -4.814 -7.748 1.00 0.00 N ATOM 1093 CA LYS A 138 -4.891 -5.687 -8.128 1.00 0.00 C ATOM 1094 C LYS A 138 -4.496 -6.543 -9.330 1.00 0.00 C ATOM 1095 O LYS A 138 -5.147 -7.541 -9.640 1.00 0.00 O ATOM 1096 CB LYS A 138 -6.133 -4.859 -8.466 1.00 0.00 C ATOM 1097 CG LYS A 138 -7.410 -5.681 -8.545 1.00 0.00 C ATOM 1098 CD LYS A 138 -8.272 -5.263 -9.724 1.00 0.00 C ATOM 1099 CE LYS A 138 -9.248 -6.360 -10.119 1.00 0.00 C ATOM 1100 NZ LYS A 138 -10.388 -5.829 -10.917 1.00 0.00 N ATOM 0 H LYS A 138 -3.961 -3.822 -7.914 1.00 0.00 H new ATOM 0 HA LYS A 138 -5.121 -6.341 -7.287 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.257 -4.082 -7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -5.975 -4.356 -9.420 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -7.158 -6.738 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.976 -5.565 -7.621 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -8.824 -4.358 -9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -7.634 -5.019 -10.574 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.724 -7.121 -10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.629 -6.847 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -11.030 -6.608 -11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -10.904 -5.121 -10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.027 -5.387 -11.786 1.00 0.00 H new ATOM 1114 N GLU A 139 -3.424 -6.134 -10.005 1.00 0.00 N ATOM 1115 CA GLU A 139 -2.923 -6.836 -11.177 1.00 0.00 C ATOM 1116 C GLU A 139 -2.523 -8.273 -10.844 1.00 0.00 C ATOM 1117 O GLU A 139 -3.143 -9.227 -11.314 1.00 0.00 O ATOM 1118 CB GLU A 139 -1.722 -6.083 -11.750 1.00 0.00 C ATOM 1119 CG GLU A 139 -1.905 -5.667 -13.198 1.00 0.00 C ATOM 1120 CD GLU A 139 -0.682 -5.949 -14.047 1.00 0.00 C ATOM 1121 OE1 GLU A 139 0.443 -5.675 -13.579 1.00 0.00 O ATOM 1122 OE2 GLU A 139 -0.849 -6.446 -15.181 1.00 0.00 O ATOM 0 H GLU A 139 -2.881 -5.308 -9.753 1.00 0.00 H new ATOM 0 HA GLU A 139 -3.724 -6.876 -11.916 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.537 -5.195 -11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.836 -6.713 -11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -2.762 -6.193 -13.617 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.133 -4.602 -13.240 1.00 0.00 H new ATOM 1129 N THR A 140 -1.470 -8.415 -10.045 1.00 0.00 N ATOM 1130 CA THR A 140 -0.965 -9.731 -9.663 1.00 0.00 C ATOM 1131 C THR A 140 -1.909 -10.447 -8.700 1.00 0.00 C ATOM 1132 O THR A 140 -2.104 -10.010 -7.566 1.00 0.00 O ATOM 1133 CB THR A 140 0.420 -9.602 -9.028 1.00 0.00 C ATOM 1134 OG1 THR A 140 1.027 -8.374 -9.389 1.00 0.00 O ATOM 1135 CG2 THR A 140 1.364 -10.715 -9.422 1.00 0.00 C ATOM 0 H THR A 140 -0.948 -7.633 -9.648 1.00 0.00 H new ATOM 0 HA THR A 140 -0.897 -10.329 -10.572 1.00 0.00 H new ATOM 0 HB THR A 140 0.250 -9.655 -7.953 1.00 0.00 H new ATOM 0 HG1 THR A 140 1.966 -8.378 -9.107 1.00 0.00 H new ATOM 0 HG21 THR A 140 2.328 -10.563 -8.937 1.00 0.00 H new ATOM 0 HG22 THR A 140 0.948 -11.673 -9.110 1.00 0.00 H new ATOM 0 HG23 THR A 140 1.498 -10.713 -10.504 1.00 0.00 H new ATOM 1143 N LYS A 141 -2.471 -11.564 -9.168 1.00 0.00 N ATOM 1144 CA LYS A 141 -3.389 -12.393 -8.379 1.00 0.00 C ATOM 1145 C LYS A 141 -4.174 -11.582 -7.340 1.00 0.00 C ATOM 1146 O LYS A 141 -5.253 -11.066 -7.634 1.00 0.00 O ATOM 1147 CB LYS A 141 -2.610 -13.527 -7.700 1.00 0.00 C ATOM 1148 CG LYS A 141 -3.445 -14.358 -6.736 1.00 0.00 C ATOM 1149 CD LYS A 141 -3.297 -15.847 -7.008 1.00 0.00 C ATOM 1150 CE LYS A 141 -4.278 -16.664 -6.182 1.00 0.00 C ATOM 1151 NZ LYS A 141 -3.806 -16.850 -4.782 1.00 0.00 N ATOM 0 H LYS A 141 -2.302 -11.921 -10.108 1.00 0.00 H new ATOM 0 HA LYS A 141 -4.124 -12.812 -9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -2.199 -14.183 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -1.765 -13.101 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -3.141 -14.143 -5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -4.494 -14.074 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -3.461 -16.042 -8.068 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -2.278 -16.160 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -5.248 -16.167 -6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -4.422 -17.638 -6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -4.503 -17.412 -4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -2.892 -17.347 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -3.693 -15.921 -4.328 1.00 0.00 H new ATOM 1165 N GLY A 142 -3.636 -11.483 -6.124 1.00 0.00 N ATOM 1166 CA GLY A 142 -4.313 -10.745 -5.072 1.00 0.00 C ATOM 1167 C GLY A 142 -3.400 -10.373 -3.916 1.00 0.00 C ATOM 1168 O GLY A 142 -3.632 -9.371 -3.240 1.00 0.00 O ATOM 0 H GLY A 142 -2.746 -11.900 -5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -4.742 -9.836 -5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -5.142 -11.343 -4.693 1.00 0.00 H new ATOM 1172 N MET A 143 -2.366 -11.179 -3.680 1.00 0.00 N ATOM 1173 CA MET A 143 -1.426 -10.918 -2.594 1.00 0.00 C ATOM 1174 C MET A 143 -0.429 -9.834 -2.988 1.00 0.00 C ATOM 1175 O MET A 143 0.195 -9.908 -4.047 1.00 0.00 O ATOM 1176 CB MET A 143 -0.679 -12.201 -2.219 1.00 0.00 C ATOM 1177 CG MET A 143 0.049 -12.847 -3.387 1.00 0.00 C ATOM 1178 SD MET A 143 1.067 -14.245 -2.879 1.00 0.00 S ATOM 1179 CE MET A 143 2.130 -14.427 -4.311 1.00 0.00 C ATOM 0 H MET A 143 -2.159 -12.016 -4.225 1.00 0.00 H new ATOM 0 HA MET A 143 -1.993 -10.570 -1.731 1.00 0.00 H new ATOM 0 HB2 MET A 143 0.042 -11.975 -1.433 1.00 0.00 H new ATOM 0 HB3 MET A 143 -1.389 -12.916 -1.804 1.00 0.00 H new ATOM 0 HG2 MET A 143 -0.680 -13.182 -4.125 1.00 0.00 H new ATOM 0 HG3 MET A 143 0.678 -12.103 -3.875 1.00 0.00 H new ATOM 0 HE1 MET A 143 2.820 -15.255 -4.149 1.00 0.00 H new ATOM 0 HE2 MET A 143 1.521 -14.628 -5.193 1.00 0.00 H new ATOM 0 HE3 MET A 143 2.696 -13.508 -4.463 1.00 0.00 H new ATOM 1189 N ILE A 144 -0.284 -8.824 -2.135 1.00 0.00 N ATOM 1190 CA ILE A 144 0.640 -7.727 -2.407 1.00 0.00 C ATOM 1191 C ILE A 144 1.636 -7.535 -1.274 1.00 0.00 C ATOM 1192 O ILE A 144 1.341 -7.821 -0.113 1.00 0.00 O ATOM 1193 CB ILE A 144 -0.104 -6.399 -2.648 1.00 0.00 C ATOM 1194 CG1 ILE A 144 -1.258 -6.611 -3.626 1.00 0.00 C ATOM 1195 CG2 ILE A 144 0.856 -5.344 -3.174 1.00 0.00 C ATOM 1196 CD1 ILE A 144 -0.825 -7.200 -4.951 1.00 0.00 C ATOM 0 H ILE A 144 -0.791 -8.742 -1.254 1.00 0.00 H new ATOM 0 HA ILE A 144 1.179 -8.004 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 144 -0.514 -6.049 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -1.996 -7.270 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -1.752 -5.656 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 144 0.317 -4.411 -3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 144 1.650 -5.179 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 144 1.290 -5.684 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -1.695 -7.323 -5.596 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -0.110 -6.531 -5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -0.358 -8.170 -4.783 1.00 0.00 H new ATOM 1208 N SER A 145 2.817 -7.047 -1.635 1.00 0.00 N ATOM 1209 CA SER A 145 3.888 -6.802 -0.680 1.00 0.00 C ATOM 1210 C SER A 145 4.422 -5.380 -0.836 1.00 0.00 C ATOM 1211 O SER A 145 5.321 -5.130 -1.640 1.00 0.00 O ATOM 1212 CB SER A 145 5.013 -7.813 -0.902 1.00 0.00 C ATOM 1213 OG SER A 145 5.066 -8.761 0.150 1.00 0.00 O ATOM 0 H SER A 145 3.058 -6.811 -2.598 1.00 0.00 H new ATOM 0 HA SER A 145 3.496 -6.916 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 145 4.861 -8.327 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 145 5.967 -7.290 -0.972 1.00 0.00 H new ATOM 0 HG SER A 145 5.793 -9.396 -0.018 1.00 0.00 H new ATOM 1219 N LEU A 146 3.857 -4.448 -0.075 1.00 0.00 N ATOM 1220 CA LEU A 146 4.275 -3.050 -0.147 1.00 0.00 C ATOM 1221 C LEU A 146 5.356 -2.735 0.872 1.00 0.00 C ATOM 1222 O LEU A 146 5.226 -3.064 2.049 1.00 0.00 O ATOM 1223 CB LEU A 146 3.089 -2.114 0.087 1.00 0.00 C ATOM 1224 CG LEU A 146 1.849 -2.412 -0.757 1.00 0.00 C ATOM 1225 CD1 LEU A 146 0.693 -2.850 0.127 1.00 0.00 C ATOM 1226 CD2 LEU A 146 1.461 -1.193 -1.583 1.00 0.00 C ATOM 0 H LEU A 146 3.112 -4.633 0.596 1.00 0.00 H new ATOM 0 HA LEU A 146 4.676 -2.893 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 146 2.812 -2.161 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.408 -1.091 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 146 2.085 -3.228 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -0.180 -3.057 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 146 0.973 -3.751 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 146 0.455 -2.056 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 146 0.577 -1.423 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 146 1.244 -0.357 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 146 2.284 -0.925 -2.246 1.00 0.00 H new ATOM 1238 N LYS A 147 6.405 -2.068 0.413 1.00 0.00 N ATOM 1239 CA LYS A 147 7.501 -1.673 1.287 1.00 0.00 C ATOM 1240 C LYS A 147 7.314 -0.221 1.703 1.00 0.00 C ATOM 1241 O LYS A 147 7.324 0.677 0.862 1.00 0.00 O ATOM 1242 CB LYS A 147 8.847 -1.852 0.581 1.00 0.00 C ATOM 1243 CG LYS A 147 9.472 -3.220 0.801 1.00 0.00 C ATOM 1244 CD LYS A 147 10.292 -3.258 2.080 1.00 0.00 C ATOM 1245 CE LYS A 147 11.537 -4.115 1.920 1.00 0.00 C ATOM 1246 NZ LYS A 147 12.508 -3.511 0.966 1.00 0.00 N ATOM 0 H LYS A 147 6.521 -1.788 -0.561 1.00 0.00 H new ATOM 0 HA LYS A 147 7.496 -2.309 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 147 8.711 -1.692 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.537 -1.085 0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 147 8.688 -3.976 0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 147 10.108 -3.472 -0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 147 10.580 -2.244 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 147 9.681 -3.650 2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 147 12.015 -4.245 2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 147 11.252 -5.107 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 13.466 -3.851 1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 12.256 -3.784 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 12.481 -2.475 1.052 1.00 0.00 H new ATOM 1260 N VAL A 148 7.121 0.011 2.997 1.00 0.00 N ATOM 1261 CA VAL A 148 6.906 1.360 3.491 1.00 0.00 C ATOM 1262 C VAL A 148 7.891 1.726 4.593 1.00 0.00 C ATOM 1263 O VAL A 148 8.601 0.871 5.121 1.00 0.00 O ATOM 1264 CB VAL A 148 5.464 1.538 4.010 1.00 0.00 C ATOM 1265 CG1 VAL A 148 4.461 1.113 2.944 1.00 0.00 C ATOM 1266 CG2 VAL A 148 5.242 0.751 5.296 1.00 0.00 C ATOM 0 H VAL A 148 7.110 -0.713 3.715 1.00 0.00 H new ATOM 0 HA VAL A 148 7.070 2.031 2.648 1.00 0.00 H new ATOM 0 HB VAL A 148 5.312 2.594 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.448 1.244 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 148 4.596 1.726 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 148 4.621 0.065 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 148 4.217 0.895 5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 148 5.416 -0.309 5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 148 5.933 1.103 6.062 1.00 0.00 H new ATOM 1276 N ILE A 149 7.924 3.009 4.933 1.00 0.00 N ATOM 1277 CA ILE A 149 8.816 3.503 5.972 1.00 0.00 C ATOM 1278 C ILE A 149 8.024 3.923 7.211 1.00 0.00 C ATOM 1279 O ILE A 149 6.993 4.585 7.102 1.00 0.00 O ATOM 1280 CB ILE A 149 9.658 4.690 5.452 1.00 0.00 C ATOM 1281 CG1 ILE A 149 10.812 4.173 4.593 1.00 0.00 C ATOM 1282 CG2 ILE A 149 10.187 5.543 6.600 1.00 0.00 C ATOM 1283 CD1 ILE A 149 11.670 5.272 4.008 1.00 0.00 C ATOM 0 H ILE A 149 7.341 3.727 4.502 1.00 0.00 H new ATOM 0 HA ILE A 149 9.491 2.693 6.248 1.00 0.00 H new ATOM 0 HB ILE A 149 9.014 5.323 4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 149 11.438 3.517 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 149 10.407 3.568 3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 149 10.775 6.369 6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 149 9.350 5.939 7.175 1.00 0.00 H new ATOM 0 HG23 ILE A 149 10.815 4.932 7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 149 12.468 4.831 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 149 11.057 5.915 3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 149 12.104 5.863 4.814 1.00 0.00 H new ATOM 1295 N PRO A 150 8.500 3.544 8.412 1.00 0.00 N ATOM 1296 CA PRO A 150 7.829 3.890 9.670 1.00 0.00 C ATOM 1297 C PRO A 150 7.795 5.394 9.910 1.00 0.00 C ATOM 1298 O PRO A 150 8.828 6.061 9.862 1.00 0.00 O ATOM 1299 CB PRO A 150 8.678 3.195 10.740 1.00 0.00 C ATOM 1300 CG PRO A 150 10.005 2.980 10.098 1.00 0.00 C ATOM 1301 CD PRO A 150 9.723 2.755 8.640 1.00 0.00 C ATOM 0 HA PRO A 150 6.785 3.576 9.672 1.00 0.00 H new ATOM 0 HB2 PRO A 150 8.767 3.811 11.635 1.00 0.00 H new ATOM 0 HB3 PRO A 150 8.230 2.250 11.047 1.00 0.00 H new ATOM 0 HG2 PRO A 150 10.654 3.844 10.242 1.00 0.00 H new ATOM 0 HG3 PRO A 150 10.516 2.122 10.534 1.00 0.00 H new ATOM 0 HD2 PRO A 150 10.546 3.097 8.013 1.00 0.00 H new ATOM 0 HD3 PRO A 150 9.569 1.699 8.417 1.00 0.00 H new ATOM 1309 N ASN A 151 6.602 5.920 10.166 1.00 0.00 N ATOM 1310 CA ASN A 151 6.433 7.350 10.412 1.00 0.00 C ATOM 1311 C ASN A 151 7.212 7.788 11.648 1.00 0.00 C ATOM 1312 O ASN A 151 6.650 7.911 12.736 1.00 0.00 O ATOM 1313 CB ASN A 151 4.950 7.709 10.574 1.00 0.00 C ATOM 1314 CG ASN A 151 4.143 6.652 11.315 1.00 0.00 C ATOM 1315 OD1 ASN A 151 2.940 6.514 11.092 1.00 0.00 O ATOM 1316 ND2 ASN A 151 4.790 5.904 12.205 1.00 0.00 N ATOM 0 H ASN A 151 5.738 5.380 10.209 1.00 0.00 H new ATOM 0 HA ASN A 151 6.827 7.881 9.545 1.00 0.00 H new ATOM 0 HB2 ASN A 151 4.871 8.655 11.109 1.00 0.00 H new ATOM 0 HB3 ASN A 151 4.512 7.863 9.588 1.00 0.00 H new ATOM 0 HD21 ASN A 151 4.289 5.187 12.729 1.00 0.00 H new ATOM 0 HD22 ASN A 151 5.787 6.047 12.363 1.00 0.00 H new