USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=19 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= -8.78! C(o=-9.2!,f=-8!) USER MOD Set 1.2: A 140 THR OG1 : rot 177:sc= 0.79 USER MOD Set 2.1: A 126 THR OG1 : rot 180:sc= 0.0689 USER MOD Set 2.2: A 127 ASN : amide:sc= 0 X(o=0.069,f=0.069) USER MOD Set 3.1: A 112 HIS : no HE2:sc= -3.03 K(o=-5.7,f=-7.3!) USER MOD Set 3.2: A 151 ASN :FLIP amide:sc= -2.68! F(o=-9.5,f=-5.7!) USER MOD Single : A 73 GLN : amide:sc= -0.369 K(o=-0.37,f=-2.9!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.182) USER MOD Single : A 89 ASN : amide:sc= -3.19 K(o=-3.2,f=-10!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.2!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 115:sc= -2.13! 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=-0.0063) USER MOD Single : A 108 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.81) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0013 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 128 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-5!) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 GLN :FLIP amide:sc= -1.18 F(o=-3.2!,f=-1.2) USER MOD Single : A 135 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0472) USER MOD Single : A 137 MET CE :methyl 173:sc= -5.81! (180deg=-5.97!) 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 145 SER OG : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ -165:sc= -0.334 (180deg=-0.481) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 69 13.643 0.314 6.553 1.00 0.00 N ATOM 2 CA VAL A 69 12.471 0.020 5.688 1.00 0.00 C ATOM 3 C VAL A 69 11.495 -0.919 6.385 1.00 0.00 C ATOM 4 O VAL A 69 11.698 -1.305 7.536 1.00 0.00 O ATOM 5 CB VAL A 69 12.906 -0.605 4.348 1.00 0.00 C ATOM 6 CG1 VAL A 69 13.841 0.333 3.600 1.00 0.00 C ATOM 7 CG2 VAL A 69 13.566 -1.960 4.571 1.00 0.00 C ATOM 0 HA VAL A 69 11.975 0.970 5.492 1.00 0.00 H new ATOM 0 HB VAL A 69 12.016 -0.760 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 69 14.138 -0.125 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.329 1.275 3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.727 0.523 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.864 -2.382 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.446 -1.837 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.860 -2.632 5.059 1.00 0.00 H new ATOM 17 N ARG A 70 10.432 -1.277 5.678 1.00 0.00 N ATOM 18 CA ARG A 70 9.411 -2.166 6.217 1.00 0.00 C ATOM 19 C ARG A 70 8.546 -2.703 5.087 1.00 0.00 C ATOM 20 O ARG A 70 8.573 -2.171 3.981 1.00 0.00 O ATOM 21 CB ARG A 70 8.543 -1.415 7.231 1.00 0.00 C ATOM 22 CG ARG A 70 8.592 -2.000 8.633 1.00 0.00 C ATOM 23 CD ARG A 70 7.501 -3.038 8.840 1.00 0.00 C ATOM 24 NE ARG A 70 6.868 -2.909 10.150 1.00 0.00 N ATOM 25 CZ ARG A 70 7.497 -3.132 11.302 1.00 0.00 C ATOM 26 NH1 ARG A 70 8.771 -3.503 11.309 1.00 0.00 N ATOM 27 NH2 ARG A 70 6.849 -2.984 12.450 1.00 0.00 N ATOM 0 H ARG A 70 10.253 -0.963 4.724 1.00 0.00 H new ATOM 0 HA ARG A 70 9.897 -3.001 6.721 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.865 -0.374 7.270 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.510 -1.416 6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.567 -2.456 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.480 -1.201 9.366 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.747 -2.932 8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.926 -4.037 8.739 1.00 0.00 H new ATOM 0 HE ARG A 70 5.887 -2.632 10.184 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.273 -3.619 10.429 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.248 -3.672 12.195 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.869 -2.700 12.450 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.330 -3.155 13.333 1.00 0.00 H new ATOM 41 N LEU A 71 7.771 -3.748 5.357 1.00 0.00 N ATOM 42 CA LEU A 71 6.905 -4.311 4.332 1.00 0.00 C ATOM 43 C LEU A 71 5.559 -4.734 4.909 1.00 0.00 C ATOM 44 O LEU A 71 5.455 -5.096 6.081 1.00 0.00 O ATOM 45 CB LEU A 71 7.593 -5.486 3.611 1.00 0.00 C ATOM 46 CG LEU A 71 7.183 -6.901 4.049 1.00 0.00 C ATOM 47 CD1 LEU A 71 7.300 -7.058 5.558 1.00 0.00 C ATOM 48 CD2 LEU A 71 5.770 -7.226 3.577 1.00 0.00 C ATOM 0 H LEU A 71 7.725 -4.215 6.263 1.00 0.00 H new ATOM 0 HA LEU A 71 6.715 -3.529 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.398 -5.391 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.670 -5.386 3.749 1.00 0.00 H new ATOM 0 HG LEU A 71 7.867 -7.610 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.004 -8.068 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.332 -6.882 5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.648 -6.337 6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.501 -8.232 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.069 -6.509 4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.728 -7.169 2.489 1.00 0.00 H new ATOM 60 N ILE A 72 4.538 -4.696 4.063 1.00 0.00 N ATOM 61 CA ILE A 72 3.192 -5.083 4.457 1.00 0.00 C ATOM 62 C ILE A 72 2.654 -6.135 3.496 1.00 0.00 C ATOM 63 O ILE A 72 2.455 -5.860 2.313 1.00 0.00 O ATOM 64 CB ILE A 72 2.234 -3.875 4.474 1.00 0.00 C ATOM 65 CG1 ILE A 72 2.949 -2.633 5.014 1.00 0.00 C ATOM 66 CG2 ILE A 72 1.001 -4.187 5.309 1.00 0.00 C ATOM 67 CD1 ILE A 72 3.416 -2.778 6.447 1.00 0.00 C ATOM 0 H ILE A 72 4.619 -4.398 3.091 1.00 0.00 H new ATOM 0 HA ILE A 72 3.248 -5.490 5.467 1.00 0.00 H new ATOM 0 HB ILE A 72 1.915 -3.671 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.809 -2.415 4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.277 -1.778 4.944 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.335 -3.324 5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.481 -5.046 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.302 -4.415 6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.913 -1.861 6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.558 -2.966 7.092 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.114 -3.612 6.520 1.00 0.00 H new ATOM 79 N GLN A 73 2.433 -7.342 4.001 1.00 0.00 N ATOM 80 CA GLN A 73 1.935 -8.426 3.171 1.00 0.00 C ATOM 81 C GLN A 73 0.485 -8.739 3.497 1.00 0.00 C ATOM 82 O GLN A 73 0.159 -9.123 4.620 1.00 0.00 O ATOM 83 CB GLN A 73 2.797 -9.676 3.354 1.00 0.00 C ATOM 84 CG GLN A 73 3.815 -9.876 2.242 1.00 0.00 C ATOM 85 CD GLN A 73 3.470 -11.040 1.335 1.00 0.00 C ATOM 86 OE1 GLN A 73 2.446 -11.701 1.514 1.00 0.00 O ATOM 87 NE2 GLN A 73 4.324 -11.298 0.352 1.00 0.00 N ATOM 0 H GLN A 73 2.591 -7.592 4.977 1.00 0.00 H new ATOM 0 HA GLN A 73 1.991 -8.107 2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.320 -9.611 4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.149 -10.551 3.405 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.881 -8.965 1.648 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.799 -10.042 2.681 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.160 -10.725 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.144 -12.069 -0.291 1.00 0.00 H new ATOM 96 N PHE A 74 -0.385 -8.580 2.506 1.00 0.00 N ATOM 97 CA PHE A 74 -1.802 -8.857 2.702 1.00 0.00 C ATOM 98 C PHE A 74 -2.351 -9.726 1.576 1.00 0.00 C ATOM 99 O PHE A 74 -1.685 -9.939 0.562 1.00 0.00 O ATOM 100 CB PHE A 74 -2.603 -7.556 2.804 1.00 0.00 C ATOM 101 CG PHE A 74 -2.454 -6.646 1.617 1.00 0.00 C ATOM 102 CD1 PHE A 74 -2.912 -7.027 0.365 1.00 0.00 C ATOM 103 CD2 PHE A 74 -1.861 -5.403 1.759 1.00 0.00 C ATOM 104 CE1 PHE A 74 -2.779 -6.184 -0.723 1.00 0.00 C ATOM 105 CE2 PHE A 74 -1.727 -4.555 0.675 1.00 0.00 C ATOM 106 CZ PHE A 74 -2.186 -4.947 -0.567 1.00 0.00 C ATOM 0 H PHE A 74 -0.137 -8.264 1.568 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.906 -9.403 3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.658 -7.801 2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.291 -7.020 3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.378 -7.993 0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.499 -5.092 2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.139 -6.493 -1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.264 -3.587 0.800 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.081 -4.287 -1.415 1.00 0.00 H new ATOM 116 N GLU A 75 -3.567 -10.228 1.763 1.00 0.00 N ATOM 117 CA GLU A 75 -4.208 -11.079 0.766 1.00 0.00 C ATOM 118 C GLU A 75 -5.373 -10.362 0.092 1.00 0.00 C ATOM 119 O GLU A 75 -6.340 -9.976 0.749 1.00 0.00 O ATOM 120 CB GLU A 75 -4.708 -12.372 1.416 1.00 0.00 C ATOM 121 CG GLU A 75 -5.301 -12.171 2.802 1.00 0.00 C ATOM 122 CD GLU A 75 -6.370 -13.194 3.133 1.00 0.00 C ATOM 123 OE1 GLU A 75 -7.518 -13.022 2.671 1.00 0.00 O ATOM 124 OE2 GLU A 75 -6.060 -14.166 3.851 1.00 0.00 O ATOM 0 H GLU A 75 -4.130 -10.060 2.597 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.464 -11.318 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.461 -12.825 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.880 -13.078 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.506 -12.229 3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.728 -11.170 2.869 1.00 0.00 H new ATOM 244 N GLY A 83 -9.523 -2.487 1.683 1.00 0.00 N ATOM 245 CA GLY A 83 -9.972 -1.205 1.171 1.00 0.00 C ATOM 246 C GLY A 83 -9.155 -0.050 1.717 1.00 0.00 C ATOM 247 O GLY A 83 -9.508 0.537 2.739 1.00 0.00 O ATOM 0 HA2 GLY A 83 -9.910 -1.209 0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.021 -1.060 1.430 1.00 0.00 H new ATOM 251 N ILE A 84 -8.058 0.272 1.040 1.00 0.00 N ATOM 252 CA ILE A 84 -7.189 1.360 1.471 1.00 0.00 C ATOM 253 C ILE A 84 -6.833 2.285 0.310 1.00 0.00 C ATOM 254 O ILE A 84 -7.012 1.931 -0.855 1.00 0.00 O ATOM 255 CB ILE A 84 -5.892 0.820 2.106 1.00 0.00 C ATOM 256 CG1 ILE A 84 -5.057 0.063 1.068 1.00 0.00 C ATOM 257 CG2 ILE A 84 -6.223 -0.082 3.285 1.00 0.00 C ATOM 258 CD1 ILE A 84 -3.612 0.509 1.016 1.00 0.00 C ATOM 0 H ILE A 84 -7.750 -0.204 0.192 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.743 1.929 2.218 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.303 1.664 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.092 -1.003 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.506 0.197 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.300 -0.458 3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.778 0.485 4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.829 -0.921 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.080 -0.069 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.567 1.568 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.147 0.349 1.989 1.00 0.00 H new ATOM 270 N THR A 85 -6.329 3.471 0.639 1.00 0.00 N ATOM 271 CA THR A 85 -5.947 4.448 -0.373 1.00 0.00 C ATOM 272 C THR A 85 -4.720 5.239 0.074 1.00 0.00 C ATOM 273 O THR A 85 -4.468 5.386 1.270 1.00 0.00 O ATOM 274 CB THR A 85 -7.117 5.396 -0.652 1.00 0.00 C ATOM 275 OG1 THR A 85 -8.205 4.692 -1.224 1.00 0.00 O ATOM 276 CG2 THR A 85 -6.764 6.530 -1.589 1.00 0.00 C ATOM 0 H THR A 85 -6.176 3.778 1.600 1.00 0.00 H new ATOM 0 HA THR A 85 -5.694 3.916 -1.290 1.00 0.00 H new ATOM 0 HB THR A 85 -7.381 5.818 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.944 5.313 -1.394 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.639 7.161 -1.742 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.960 7.124 -1.155 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.439 6.123 -2.546 1.00 0.00 H new ATOM 284 N LEU A 86 -3.963 5.749 -0.893 1.00 0.00 N ATOM 285 CA LEU A 86 -2.765 6.526 -0.594 1.00 0.00 C ATOM 286 C LEU A 86 -2.738 7.822 -1.394 1.00 0.00 C ATOM 287 O LEU A 86 -3.271 7.896 -2.501 1.00 0.00 O ATOM 288 CB LEU A 86 -1.505 5.709 -0.887 1.00 0.00 C ATOM 289 CG LEU A 86 -1.340 5.275 -2.342 1.00 0.00 C ATOM 290 CD1 LEU A 86 0.077 4.794 -2.603 1.00 0.00 C ATOM 291 CD2 LEU A 86 -2.344 4.188 -2.682 1.00 0.00 C ATOM 0 H LEU A 86 -4.157 5.638 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.788 6.774 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.634 6.297 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.512 4.820 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.528 6.136 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.172 4.490 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.779 5.601 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.298 3.945 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.216 3.887 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.182 3.327 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.355 4.568 -2.536 1.00 0.00 H new ATOM 303 N LYS A 87 -2.109 8.840 -0.822 1.00 0.00 N ATOM 304 CA LYS A 87 -1.999 10.140 -1.471 1.00 0.00 C ATOM 305 C LYS A 87 -0.559 10.635 -1.433 1.00 0.00 C ATOM 306 O LYS A 87 0.124 10.507 -0.418 1.00 0.00 O ATOM 307 CB LYS A 87 -2.916 11.154 -0.784 1.00 0.00 C ATOM 308 CG LYS A 87 -4.391 10.797 -0.872 1.00 0.00 C ATOM 309 CD LYS A 87 -5.132 11.167 0.403 1.00 0.00 C ATOM 310 CE LYS A 87 -6.520 10.548 0.440 1.00 0.00 C ATOM 311 NZ LYS A 87 -7.196 10.782 1.746 1.00 0.00 N ATOM 0 H LYS A 87 -1.665 8.790 0.095 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.305 10.032 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.632 11.235 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.761 12.135 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.842 11.315 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.497 9.728 -1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.560 10.832 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.214 12.251 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.126 10.967 -0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.445 9.476 0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.818 9.978 1.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.481 10.879 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.762 11.653 1.693 1.00 0.00 H new ATOM 325 N LEU A 88 -0.096 11.194 -2.543 1.00 0.00 N ATOM 326 CA LEU A 88 1.266 11.703 -2.623 1.00 0.00 C ATOM 327 C LEU A 88 1.295 13.117 -3.196 1.00 0.00 C ATOM 328 O LEU A 88 0.371 13.534 -3.894 1.00 0.00 O ATOM 329 CB LEU A 88 2.142 10.765 -3.454 1.00 0.00 C ATOM 330 CG LEU A 88 1.523 10.245 -4.748 1.00 0.00 C ATOM 331 CD1 LEU A 88 0.393 9.270 -4.457 1.00 0.00 C ATOM 332 CD2 LEU A 88 1.038 11.407 -5.582 1.00 0.00 C ATOM 0 H LEU A 88 -0.641 11.306 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 88 1.668 11.746 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.067 11.287 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.414 9.910 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 88 2.283 9.703 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.031 8.914 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.780 8.424 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.381 9.773 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.596 11.033 -6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.289 11.968 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.878 12.060 -5.820 1.00 0.00 H new ATOM 344 N ASN A 89 2.362 13.849 -2.895 1.00 0.00 N ATOM 345 CA ASN A 89 2.514 15.217 -3.378 1.00 0.00 C ATOM 346 C ASN A 89 2.674 15.242 -4.901 1.00 0.00 C ATOM 347 O ASN A 89 2.293 14.296 -5.586 1.00 0.00 O ATOM 348 CB ASN A 89 3.708 15.893 -2.691 1.00 0.00 C ATOM 349 CG ASN A 89 5.044 15.379 -3.189 1.00 0.00 C ATOM 350 OD1 ASN A 89 5.655 15.970 -4.080 1.00 0.00 O ATOM 351 ND2 ASN A 89 5.507 14.274 -2.614 1.00 0.00 N ATOM 0 H ASN A 89 3.135 13.518 -2.318 1.00 0.00 H new ATOM 0 HA ASN A 89 1.611 15.775 -3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.654 16.969 -2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.641 15.732 -1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.402 13.883 -2.908 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.967 13.817 -1.879 1.00 0.00 H new ATOM 358 N GLU A 90 3.228 16.332 -5.425 1.00 0.00 N ATOM 359 CA GLU A 90 3.422 16.475 -6.867 1.00 0.00 C ATOM 360 C GLU A 90 4.616 15.660 -7.374 1.00 0.00 C ATOM 361 O GLU A 90 4.984 15.759 -8.544 1.00 0.00 O ATOM 362 CB GLU A 90 3.614 17.949 -7.226 1.00 0.00 C ATOM 363 CG GLU A 90 4.800 18.595 -6.527 1.00 0.00 C ATOM 364 CD GLU A 90 5.385 19.749 -7.317 1.00 0.00 C ATOM 365 OE1 GLU A 90 4.600 20.569 -7.839 1.00 0.00 O ATOM 366 OE2 GLU A 90 6.627 19.832 -7.415 1.00 0.00 O ATOM 0 H GLU A 90 3.550 17.128 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 90 2.527 16.088 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.746 18.038 -8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.708 18.498 -6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.488 18.953 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.573 17.844 -6.362 1.00 0.00 H new ATOM 373 N LYS A 91 5.221 14.859 -6.499 1.00 0.00 N ATOM 374 CA LYS A 91 6.370 14.041 -6.885 1.00 0.00 C ATOM 375 C LYS A 91 6.016 12.555 -6.916 1.00 0.00 C ATOM 376 O LYS A 91 6.901 11.705 -7.010 1.00 0.00 O ATOM 377 CB LYS A 91 7.532 14.271 -5.916 1.00 0.00 C ATOM 378 CG LYS A 91 8.555 15.276 -6.419 1.00 0.00 C ATOM 379 CD LYS A 91 7.948 16.661 -6.572 1.00 0.00 C ATOM 380 CE LYS A 91 8.832 17.565 -7.416 1.00 0.00 C ATOM 381 NZ LYS A 91 9.762 18.373 -6.581 1.00 0.00 N ATOM 0 H LYS A 91 4.938 14.759 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 91 6.666 14.342 -7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.135 14.616 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.031 13.320 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.394 15.320 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.952 14.944 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.964 16.579 -7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.803 17.107 -5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.407 16.959 -8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.207 18.231 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.346 18.975 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.214 18.971 -5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.377 17.738 -6.033 1.00 0.00 H new ATOM 395 N GLN A 92 4.726 12.241 -6.831 1.00 0.00 N ATOM 396 CA GLN A 92 4.278 10.851 -6.847 1.00 0.00 C ATOM 397 C GLN A 92 5.030 10.030 -5.802 1.00 0.00 C ATOM 398 O GLN A 92 5.518 8.936 -6.084 1.00 0.00 O ATOM 399 CB GLN A 92 4.479 10.242 -8.235 1.00 0.00 C ATOM 400 CG GLN A 92 3.431 10.676 -9.248 1.00 0.00 C ATOM 401 CD GLN A 92 4.013 11.515 -10.369 1.00 0.00 C ATOM 402 OE1 GLN A 92 5.140 12.002 -10.276 1.00 0.00 O ATOM 403 NE2 GLN A 92 3.244 11.689 -11.438 1.00 0.00 N ATOM 0 H GLN A 92 3.975 12.927 -6.751 1.00 0.00 H new ATOM 0 HA GLN A 92 3.215 10.833 -6.604 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.466 10.519 -8.605 1.00 0.00 H new ATOM 0 HB3 GLN A 92 4.463 9.155 -8.152 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.953 9.793 -9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.654 11.246 -8.739 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.316 11.267 -11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.581 12.245 -12.224 1.00 0.00 H new ATOM 412 N SER A 93 5.132 10.579 -4.596 1.00 0.00 N ATOM 413 CA SER A 93 5.837 9.920 -3.499 1.00 0.00 C ATOM 414 C SER A 93 4.990 8.849 -2.813 1.00 0.00 C ATOM 415 O SER A 93 5.356 8.351 -1.749 1.00 0.00 O ATOM 416 CB SER A 93 6.276 10.964 -2.476 1.00 0.00 C ATOM 417 OG SER A 93 7.683 11.138 -2.492 1.00 0.00 O ATOM 0 H SER A 93 4.733 11.485 -4.351 1.00 0.00 H new ATOM 0 HA SER A 93 6.705 9.417 -3.926 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.787 11.914 -2.690 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.956 10.658 -1.480 1.00 0.00 H new ATOM 0 HG SER A 93 7.937 11.813 -1.829 1.00 0.00 H new ATOM 423 N CYS A 94 3.869 8.498 -3.432 1.00 0.00 N ATOM 424 CA CYS A 94 2.955 7.479 -2.902 1.00 0.00 C ATOM 425 C CYS A 94 2.978 7.408 -1.376 1.00 0.00 C ATOM 426 O CYS A 94 3.628 6.535 -0.802 1.00 0.00 O ATOM 427 CB CYS A 94 3.294 6.098 -3.478 1.00 0.00 C ATOM 428 SG CYS A 94 5.014 5.909 -4.012 1.00 0.00 S ATOM 0 H CYS A 94 3.563 8.908 -4.315 1.00 0.00 H new ATOM 0 HA CYS A 94 1.951 7.774 -3.209 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.075 5.341 -2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.639 5.902 -4.327 1.00 0.00 H new ATOM 0 HG CYS A 94 5.603 5.019 -3.270 1.00 0.00 H new ATOM 434 N THR A 95 2.257 8.313 -0.718 1.00 0.00 N ATOM 435 CA THR A 95 2.204 8.309 0.737 1.00 0.00 C ATOM 436 C THR A 95 0.863 7.770 1.210 1.00 0.00 C ATOM 437 O THR A 95 -0.184 8.356 0.939 1.00 0.00 O ATOM 438 CB THR A 95 2.441 9.714 1.306 1.00 0.00 C ATOM 439 OG1 THR A 95 3.826 10.006 1.356 1.00 0.00 O ATOM 440 CG2 THR A 95 1.882 9.906 2.707 1.00 0.00 C ATOM 0 H THR A 95 1.709 9.048 -1.164 1.00 0.00 H new ATOM 0 HA THR A 95 3.000 7.660 1.102 1.00 0.00 H new ATOM 0 HB THR A 95 1.915 10.388 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.958 10.906 1.720 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.087 10.922 3.044 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.805 9.737 2.695 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.353 9.196 3.387 1.00 0.00 H new ATOM 448 N VAL A 96 0.909 6.653 1.929 1.00 0.00 N ATOM 449 CA VAL A 96 -0.295 6.026 2.461 1.00 0.00 C ATOM 450 C VAL A 96 -1.257 7.085 3.002 1.00 0.00 C ATOM 451 O VAL A 96 -0.829 8.074 3.598 1.00 0.00 O ATOM 452 CB VAL A 96 0.079 5.025 3.567 1.00 0.00 C ATOM 453 CG1 VAL A 96 -1.162 4.483 4.260 1.00 0.00 C ATOM 454 CG2 VAL A 96 0.922 3.898 2.982 1.00 0.00 C ATOM 0 H VAL A 96 1.773 6.161 2.157 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.796 5.489 1.655 1.00 0.00 H new ATOM 0 HB VAL A 96 0.669 5.544 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.866 3.778 5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.717 5.307 4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.794 3.976 3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.184 3.192 3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.354 3.383 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.833 4.312 2.549 1.00 0.00 H new ATOM 464 N ALA A 97 -2.551 6.897 2.759 1.00 0.00 N ATOM 465 CA ALA A 97 -3.548 7.869 3.192 1.00 0.00 C ATOM 466 C ALA A 97 -4.548 7.292 4.190 1.00 0.00 C ATOM 467 O ALA A 97 -4.445 7.532 5.391 1.00 0.00 O ATOM 468 CB ALA A 97 -4.284 8.429 1.984 1.00 0.00 C ATOM 0 H ALA A 97 -2.931 6.087 2.269 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.012 8.666 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.027 9.154 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.572 8.917 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.781 7.617 1.452 1.00 0.00 H new ATOM 474 N ARG A 98 -5.536 6.562 3.684 1.00 0.00 N ATOM 475 CA ARG A 98 -6.571 5.995 4.542 1.00 0.00 C ATOM 476 C ARG A 98 -6.625 4.473 4.458 1.00 0.00 C ATOM 477 O ARG A 98 -6.075 3.864 3.540 1.00 0.00 O ATOM 478 CB ARG A 98 -7.937 6.579 4.167 1.00 0.00 C ATOM 479 CG ARG A 98 -8.168 6.689 2.665 1.00 0.00 C ATOM 480 CD ARG A 98 -9.374 7.559 2.349 1.00 0.00 C ATOM 481 NE ARG A 98 -10.510 6.771 1.878 1.00 0.00 N ATOM 482 CZ ARG A 98 -11.730 7.267 1.691 1.00 0.00 C ATOM 483 NH1 ARG A 98 -11.977 8.549 1.935 1.00 0.00 N ATOM 484 NH2 ARG A 98 -12.707 6.482 1.259 1.00 0.00 N ATOM 0 H ARG A 98 -5.642 6.350 2.692 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.319 6.259 5.569 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.719 5.956 4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.033 7.569 4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.281 7.108 2.189 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.316 5.694 2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.663 8.115 3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.103 8.293 1.590 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.359 5.782 1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.229 9.158 2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.914 8.924 1.790 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.524 5.497 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.642 6.863 1.116 1.00 0.00 H new ATOM 498 N ILE A 99 -7.308 3.873 5.430 1.00 0.00 N ATOM 499 CA ILE A 99 -7.465 2.426 5.493 1.00 0.00 C ATOM 500 C ILE A 99 -8.847 2.068 6.032 1.00 0.00 C ATOM 501 O ILE A 99 -9.261 2.556 7.084 1.00 0.00 O ATOM 502 CB ILE A 99 -6.382 1.772 6.382 1.00 0.00 C ATOM 503 CG1 ILE A 99 -5.006 1.902 5.726 1.00 0.00 C ATOM 504 CG2 ILE A 99 -6.705 0.306 6.644 1.00 0.00 C ATOM 505 CD1 ILE A 99 -4.207 3.087 6.224 1.00 0.00 C ATOM 0 H ILE A 99 -7.765 4.375 6.191 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.353 2.041 4.479 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.367 2.294 7.339 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.438 0.989 5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.134 1.988 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.928 -0.131 7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.667 0.230 7.151 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.751 -0.231 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.243 3.116 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.754 4.007 6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.048 2.993 7.298 1.00 0.00 H new ATOM 517 N LEU A 100 -9.556 1.214 5.303 1.00 0.00 N ATOM 518 CA LEU A 100 -10.892 0.788 5.700 1.00 0.00 C ATOM 519 C LEU A 100 -10.888 0.222 7.120 1.00 0.00 C ATOM 520 O LEU A 100 -9.932 -0.433 7.535 1.00 0.00 O ATOM 521 CB LEU A 100 -11.418 -0.253 4.707 1.00 0.00 C ATOM 522 CG LEU A 100 -12.530 -1.167 5.229 1.00 0.00 C ATOM 523 CD1 LEU A 100 -13.504 -1.510 4.112 1.00 0.00 C ATOM 524 CD2 LEU A 100 -11.933 -2.430 5.831 1.00 0.00 C ATOM 0 H LEU A 100 -9.226 0.802 4.430 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.552 1.656 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.786 0.268 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.583 -0.875 4.385 1.00 0.00 H new ATOM 0 HG LEU A 100 -13.079 -0.640 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.288 -2.160 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.951 -0.594 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.972 -2.022 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.734 -3.072 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.363 -2.962 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.274 -2.163 6.657 1.00 0.00 H new ATOM 585 N ILE A 105 -5.479 -4.474 6.700 1.00 0.00 N ATOM 586 CA ILE A 105 -4.472 -3.439 6.901 1.00 0.00 C ATOM 587 C ILE A 105 -4.572 -2.847 8.302 1.00 0.00 C ATOM 588 O ILE A 105 -3.661 -2.995 9.116 1.00 0.00 O ATOM 589 CB ILE A 105 -4.611 -2.308 5.863 1.00 0.00 C ATOM 590 CG1 ILE A 105 -4.588 -2.880 4.444 1.00 0.00 C ATOM 591 CG2 ILE A 105 -3.503 -1.280 6.044 1.00 0.00 C ATOM 592 CD1 ILE A 105 -3.238 -3.426 4.034 1.00 0.00 C ATOM 0 HA ILE A 105 -3.498 -3.913 6.777 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.569 -1.811 6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.330 -3.675 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.884 -2.101 3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.616 -0.489 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.564 -0.852 7.045 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.534 -1.763 5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.296 -3.815 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.495 -2.629 4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.948 -4.228 4.713 1.00 0.00 H new ATOM 604 N HIS A 106 -5.687 -2.178 8.581 1.00 0.00 N ATOM 605 CA HIS A 106 -5.906 -1.566 9.889 1.00 0.00 C ATOM 606 C HIS A 106 -5.691 -2.579 11.012 1.00 0.00 C ATOM 607 O HIS A 106 -5.370 -2.209 12.141 1.00 0.00 O ATOM 608 CB HIS A 106 -7.321 -0.988 9.972 1.00 0.00 C ATOM 609 CG HIS A 106 -7.500 -0.008 11.090 1.00 0.00 C ATOM 610 ND1 HIS A 106 -8.349 -0.227 12.155 1.00 0.00 N ATOM 611 CD2 HIS A 106 -6.931 1.202 11.308 1.00 0.00 C ATOM 612 CE1 HIS A 106 -8.296 0.806 12.978 1.00 0.00 C ATOM 613 NE2 HIS A 106 -7.443 1.686 12.486 1.00 0.00 N ATOM 0 H HIS A 106 -6.453 -2.046 7.920 1.00 0.00 H new ATOM 0 HA HIS A 106 -5.182 -0.761 10.010 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -7.561 -0.499 9.028 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -8.032 -1.805 10.098 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -6.209 1.694 10.673 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -8.855 0.912 13.896 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -7.203 2.581 12.913 1.00 0.00 H new ATOM 622 N ARG A 107 -5.872 -3.858 10.694 1.00 0.00 N ATOM 623 CA ARG A 107 -5.699 -4.924 11.676 1.00 0.00 C ATOM 624 C ARG A 107 -4.225 -5.296 11.833 1.00 0.00 C ATOM 625 O ARG A 107 -3.823 -5.845 12.859 1.00 0.00 O ATOM 626 CB ARG A 107 -6.511 -6.156 11.266 1.00 0.00 C ATOM 627 CG ARG A 107 -7.537 -6.581 12.304 1.00 0.00 C ATOM 628 CD ARG A 107 -7.897 -8.053 12.167 1.00 0.00 C ATOM 629 NE ARG A 107 -7.585 -8.808 13.377 1.00 0.00 N ATOM 630 CZ ARG A 107 -7.695 -10.131 13.475 1.00 0.00 C ATOM 631 NH1 ARG A 107 -8.109 -10.848 12.438 1.00 0.00 N ATOM 632 NH2 ARG A 107 -7.391 -10.739 14.614 1.00 0.00 N ATOM 0 H ARG A 107 -6.138 -4.181 9.764 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.061 -4.560 12.637 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.022 -5.948 10.326 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.829 -6.986 11.081 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.143 -6.394 13.303 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.436 -5.975 12.197 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.960 -8.147 11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.356 -8.481 11.323 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.264 -8.291 14.196 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.345 -10.386 11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.191 -11.861 12.519 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.073 -10.193 15.415 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.475 -11.753 14.689 1.00 0.00 H new ATOM 646 N GLN A 108 -3.425 -5.000 10.811 1.00 0.00 N ATOM 647 CA GLN A 108 -1.998 -5.310 10.842 1.00 0.00 C ATOM 648 C GLN A 108 -1.335 -4.728 12.087 1.00 0.00 C ATOM 649 O GLN A 108 -0.714 -5.450 12.867 1.00 0.00 O ATOM 650 CB GLN A 108 -1.305 -4.772 9.587 1.00 0.00 C ATOM 651 CG GLN A 108 -1.592 -5.588 8.336 1.00 0.00 C ATOM 652 CD GLN A 108 -0.433 -6.484 7.946 1.00 0.00 C ATOM 653 OE1 GLN A 108 0.388 -6.857 8.784 1.00 0.00 O ATOM 654 NE2 GLN A 108 -0.360 -6.835 6.668 1.00 0.00 N ATOM 0 H GLN A 108 -3.740 -4.547 9.953 1.00 0.00 H new ATOM 0 HA GLN A 108 -1.895 -6.395 10.871 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -1.622 -3.743 9.420 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.229 -4.750 9.758 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -2.479 -6.199 8.501 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.819 -4.913 7.511 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.062 -6.503 6.007 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.398 -7.437 6.347 1.00 0.00 H new ATOM 663 N GLY A 109 -1.469 -3.418 12.265 1.00 0.00 N ATOM 664 CA GLY A 109 -0.874 -2.762 13.415 1.00 0.00 C ATOM 665 C GLY A 109 0.479 -2.157 13.097 1.00 0.00 C ATOM 666 O GLY A 109 0.829 -1.096 13.612 1.00 0.00 O ATOM 0 H GLY A 109 -1.978 -2.799 11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.544 -1.980 13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.766 -3.483 14.226 1.00 0.00 H new ATOM 670 N SER A 110 1.239 -2.834 12.244 1.00 0.00 N ATOM 671 CA SER A 110 2.562 -2.361 11.852 1.00 0.00 C ATOM 672 C SER A 110 2.461 -1.175 10.893 1.00 0.00 C ATOM 673 O SER A 110 3.437 -0.456 10.682 1.00 0.00 O ATOM 674 CB SER A 110 3.353 -3.494 11.195 1.00 0.00 C ATOM 675 OG SER A 110 3.107 -4.731 11.842 1.00 0.00 O ATOM 0 H SER A 110 0.961 -3.714 11.810 1.00 0.00 H new ATOM 0 HA SER A 110 3.082 -2.031 12.751 1.00 0.00 H new ATOM 0 HB2 SER A 110 3.079 -3.570 10.143 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.418 -3.267 11.232 1.00 0.00 H new ATOM 0 HG SER A 110 3.623 -5.439 11.402 1.00 0.00 H new ATOM 681 N LEU A 111 1.280 -0.980 10.315 1.00 0.00 N ATOM 682 CA LEU A 111 1.059 0.115 9.378 1.00 0.00 C ATOM 683 C LEU A 111 1.172 1.467 10.076 1.00 0.00 C ATOM 684 O LEU A 111 1.171 1.547 11.304 1.00 0.00 O ATOM 685 CB LEU A 111 -0.318 -0.024 8.722 1.00 0.00 C ATOM 686 CG LEU A 111 -0.297 -0.200 7.203 1.00 0.00 C ATOM 687 CD1 LEU A 111 0.076 1.107 6.520 1.00 0.00 C ATOM 688 CD2 LEU A 111 0.670 -1.305 6.807 1.00 0.00 C ATOM 0 H LEU A 111 0.462 -1.566 10.479 1.00 0.00 H new ATOM 0 HA LEU A 111 1.830 0.064 8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.830 -0.879 9.164 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.909 0.860 8.962 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.297 -0.486 6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.086 0.963 5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.655 1.873 6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.065 1.422 6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.672 -1.416 5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.674 -1.049 7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.359 -2.243 7.267 1.00 0.00 H new ATOM 700 N HIS A 112 1.269 2.528 9.281 1.00 0.00 N ATOM 701 CA HIS A 112 1.382 3.880 9.815 1.00 0.00 C ATOM 702 C HIS A 112 1.002 4.914 8.760 1.00 0.00 C ATOM 703 O HIS A 112 1.828 5.307 7.938 1.00 0.00 O ATOM 704 CB HIS A 112 2.807 4.138 10.309 1.00 0.00 C ATOM 705 CG HIS A 112 3.085 3.560 11.662 1.00 0.00 C ATOM 706 ND1 HIS A 112 3.594 2.292 11.849 1.00 0.00 N ATOM 707 CD2 HIS A 112 2.924 4.085 12.900 1.00 0.00 C ATOM 708 CE1 HIS A 112 3.733 2.062 13.143 1.00 0.00 C ATOM 709 NE2 HIS A 112 3.334 3.135 13.801 1.00 0.00 N ATOM 0 H HIS A 112 1.272 2.477 8.262 1.00 0.00 H new ATOM 0 HA HIS A 112 0.692 3.972 10.654 1.00 0.00 H new ATOM 0 HB2 HIS A 112 3.513 3.719 9.592 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.983 5.213 10.339 1.00 0.00 H new ATOM 0 HD1 HIS A 112 3.827 1.634 11.105 1.00 0.00 H new ATOM 0 HD2 HIS A 112 2.544 5.068 13.134 1.00 0.00 H new ATOM 0 HE1 HIS A 112 4.109 1.152 13.587 1.00 0.00 H new ATOM 718 N VAL A 113 -0.255 5.348 8.794 1.00 0.00 N ATOM 719 CA VAL A 113 -0.761 6.339 7.844 1.00 0.00 C ATOM 720 C VAL A 113 0.232 7.476 7.637 1.00 0.00 C ATOM 721 O VAL A 113 0.847 7.964 8.584 1.00 0.00 O ATOM 722 CB VAL A 113 -2.109 6.922 8.316 1.00 0.00 C ATOM 723 CG1 VAL A 113 -2.622 7.965 7.334 1.00 0.00 C ATOM 724 CG2 VAL A 113 -3.131 5.812 8.509 1.00 0.00 C ATOM 0 H VAL A 113 -0.946 5.028 9.472 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.904 5.822 6.895 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.952 7.414 9.276 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.573 8.361 7.688 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.898 8.776 7.254 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.762 7.506 6.356 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.076 6.241 8.842 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.283 5.289 7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.768 5.109 9.259 1.00 0.00 H new ATOM 734 N GLY A 114 0.382 7.885 6.383 1.00 0.00 N ATOM 735 CA GLY A 114 1.299 8.954 6.057 1.00 0.00 C ATOM 736 C GLY A 114 2.653 8.438 5.616 1.00 0.00 C ATOM 737 O GLY A 114 3.405 9.142 4.943 1.00 0.00 O ATOM 0 H GLY A 114 -0.118 7.492 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.871 9.567 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.425 9.599 6.926 1.00 0.00 H new ATOM 741 N ASP A 115 2.964 7.200 5.993 1.00 0.00 N ATOM 742 CA ASP A 115 4.235 6.588 5.628 1.00 0.00 C ATOM 743 C ASP A 115 4.459 6.676 4.123 1.00 0.00 C ATOM 744 O ASP A 115 3.576 7.109 3.381 1.00 0.00 O ATOM 745 CB ASP A 115 4.271 5.124 6.077 1.00 0.00 C ATOM 746 CG ASP A 115 3.247 4.269 5.361 1.00 0.00 C ATOM 747 OD1 ASP A 115 2.043 4.406 5.665 1.00 0.00 O ATOM 748 OD2 ASP A 115 3.649 3.461 4.497 1.00 0.00 O ATOM 0 H ASP A 115 2.353 6.603 6.550 1.00 0.00 H new ATOM 0 HA ASP A 115 5.033 7.132 6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 115 5.267 4.718 5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 115 4.094 5.073 7.151 1.00 0.00 H new ATOM 753 N GLU A 116 5.637 6.262 3.676 1.00 0.00 N ATOM 754 CA GLU A 116 5.961 6.297 2.257 1.00 0.00 C ATOM 755 C GLU A 116 6.183 4.887 1.721 1.00 0.00 C ATOM 756 O GLU A 116 6.705 4.020 2.422 1.00 0.00 O ATOM 757 CB GLU A 116 7.197 7.170 2.008 1.00 0.00 C ATOM 758 CG GLU A 116 8.519 6.469 2.285 1.00 0.00 C ATOM 759 CD GLU A 116 9.420 7.264 3.211 1.00 0.00 C ATOM 760 OE1 GLU A 116 8.940 7.690 4.283 1.00 0.00 O ATOM 761 OE2 GLU A 116 10.604 7.460 2.865 1.00 0.00 O ATOM 0 H GLU A 116 6.381 5.900 4.273 1.00 0.00 H new ATOM 0 HA GLU A 116 5.118 6.736 1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 116 7.187 7.508 0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 116 7.132 8.060 2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.322 5.492 2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.037 6.294 1.342 1.00 0.00 H new ATOM 768 N ILE A 117 5.783 4.673 0.475 1.00 0.00 N ATOM 769 CA ILE A 117 5.931 3.377 -0.174 1.00 0.00 C ATOM 770 C ILE A 117 6.886 3.484 -1.363 1.00 0.00 C ATOM 771 O ILE A 117 6.723 4.348 -2.224 1.00 0.00 O ATOM 772 CB ILE A 117 4.560 2.834 -0.637 1.00 0.00 C ATOM 773 CG1 ILE A 117 3.630 2.662 0.565 1.00 0.00 C ATOM 774 CG2 ILE A 117 4.719 1.512 -1.377 1.00 0.00 C ATOM 775 CD1 ILE A 117 2.195 2.371 0.183 1.00 0.00 C ATOM 0 H ILE A 117 5.350 5.387 -0.111 1.00 0.00 H new ATOM 0 HA ILE A 117 6.349 2.679 0.551 1.00 0.00 H new ATOM 0 HB ILE A 117 4.120 3.556 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 117 4.003 1.850 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.660 3.568 1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.740 1.151 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.351 1.659 -2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 117 5.180 0.778 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.593 2.261 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 117 1.804 3.193 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 117 2.153 1.448 -0.396 1.00 0.00 H new ATOM 787 N LEU A 118 7.895 2.617 -1.388 1.00 0.00 N ATOM 788 CA LEU A 118 8.893 2.634 -2.457 1.00 0.00 C ATOM 789 C LEU A 118 8.563 1.647 -3.571 1.00 0.00 C ATOM 790 O LEU A 118 8.764 1.942 -4.749 1.00 0.00 O ATOM 791 CB LEU A 118 10.274 2.314 -1.894 1.00 0.00 C ATOM 792 CG LEU A 118 10.319 1.163 -0.886 1.00 0.00 C ATOM 793 CD1 LEU A 118 11.549 0.297 -1.118 1.00 0.00 C ATOM 794 CD2 LEU A 118 10.305 1.701 0.537 1.00 0.00 C ATOM 0 H LEU A 118 8.044 1.895 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 118 8.885 3.637 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 118 10.940 2.075 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 118 10.670 3.210 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 118 9.433 0.545 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.564 -0.516 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.518 -0.117 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.448 0.903 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.337 0.869 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 118 11.173 2.342 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 118 9.395 2.278 0.699 1.00 0.00 H new ATOM 806 N GLU A 119 8.065 0.478 -3.196 1.00 0.00 N ATOM 807 CA GLU A 119 7.717 -0.546 -4.167 1.00 0.00 C ATOM 808 C GLU A 119 6.807 -1.588 -3.548 1.00 0.00 C ATOM 809 O GLU A 119 7.051 -2.075 -2.444 1.00 0.00 O ATOM 810 CB GLU A 119 8.970 -1.221 -4.718 1.00 0.00 C ATOM 811 CG GLU A 119 9.801 -1.920 -3.658 1.00 0.00 C ATOM 812 CD GLU A 119 11.272 -1.989 -4.019 1.00 0.00 C ATOM 813 OE1 GLU A 119 11.593 -1.875 -5.220 1.00 0.00 O ATOM 814 OE2 GLU A 119 12.101 -2.158 -3.100 1.00 0.00 O ATOM 0 H GLU A 119 7.893 0.216 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 119 7.190 -0.059 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.677 -1.948 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.587 -0.472 -5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.688 -1.395 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.419 -2.930 -3.511 1.00 0.00 H new ATOM 821 N ILE A 120 5.762 -1.926 -4.275 1.00 0.00 N ATOM 822 CA ILE A 120 4.798 -2.919 -3.816 1.00 0.00 C ATOM 823 C ILE A 120 4.839 -4.164 -4.685 1.00 0.00 C ATOM 824 O ILE A 120 5.021 -4.091 -5.899 1.00 0.00 O ATOM 825 CB ILE A 120 3.354 -2.357 -3.743 1.00 0.00 C ATOM 826 CG1 ILE A 120 2.466 -2.866 -4.887 1.00 0.00 C ATOM 827 CG2 ILE A 120 3.385 -0.846 -3.735 1.00 0.00 C ATOM 828 CD1 ILE A 120 2.907 -2.406 -6.258 1.00 0.00 C ATOM 0 H ILE A 120 5.553 -1.529 -5.191 1.00 0.00 H new ATOM 0 HA ILE A 120 5.091 -3.189 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 120 2.914 -2.718 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 120 2.454 -3.956 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 120 1.443 -2.533 -4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.366 -0.461 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 120 3.948 -0.498 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 120 3.863 -0.487 -4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.229 -2.807 -7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.891 -1.317 -6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 120 3.919 -2.762 -6.453 1.00 0.00 H new ATOM 840 N ASN A 121 4.666 -5.302 -4.038 1.00 0.00 N ATOM 841 CA ASN A 121 4.679 -6.597 -4.718 1.00 0.00 C ATOM 842 C ASN A 121 5.803 -6.679 -5.754 1.00 0.00 C ATOM 843 O ASN A 121 5.682 -7.384 -6.756 1.00 0.00 O ATOM 844 CB ASN A 121 3.332 -6.857 -5.396 1.00 0.00 C ATOM 845 CG ASN A 121 2.849 -8.278 -5.183 1.00 0.00 C ATOM 846 OD1 ASN A 121 1.925 -8.722 -6.026 1.00 0.00 O flip ATOM 847 ND2 ASN A 121 3.301 -8.970 -4.271 1.00 0.00 N flip ATOM 0 H ASN A 121 4.513 -5.362 -3.031 1.00 0.00 H new ATOM 0 HA ASN A 121 4.858 -7.361 -3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 121 2.590 -6.160 -5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 121 3.421 -6.662 -6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 121 4.011 -8.589 -3.645 1.00 0.00 H new ATOM 0 HD22 ASN A 121 2.966 -9.925 -4.141 1.00 0.00 H new ATOM 854 N GLY A 122 6.895 -5.959 -5.507 1.00 0.00 N ATOM 855 CA GLY A 122 8.016 -5.975 -6.432 1.00 0.00 C ATOM 856 C GLY A 122 7.817 -5.042 -7.613 1.00 0.00 C ATOM 857 O GLY A 122 8.332 -5.292 -8.703 1.00 0.00 O ATOM 0 H GLY A 122 7.023 -5.367 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 122 8.924 -5.692 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 122 8.165 -6.991 -6.798 1.00 0.00 H new ATOM 861 N THR A 123 7.067 -3.966 -7.397 1.00 0.00 N ATOM 862 CA THR A 123 6.798 -2.994 -8.453 1.00 0.00 C ATOM 863 C THR A 123 7.257 -1.600 -8.034 1.00 0.00 C ATOM 864 O THR A 123 7.139 -1.221 -6.869 1.00 0.00 O ATOM 865 CB THR A 123 5.305 -2.978 -8.791 1.00 0.00 C ATOM 866 OG1 THR A 123 4.898 -4.228 -9.318 1.00 0.00 O ATOM 867 CG2 THR A 123 4.923 -1.912 -9.798 1.00 0.00 C ATOM 0 H THR A 123 6.634 -3.744 -6.500 1.00 0.00 H new ATOM 0 HA THR A 123 7.358 -3.289 -9.340 1.00 0.00 H new ATOM 0 HB THR A 123 4.802 -2.759 -7.849 1.00 0.00 H new ATOM 0 HG1 THR A 123 3.941 -4.199 -9.526 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.851 -1.960 -9.989 1.00 0.00 H new ATOM 0 HG22 THR A 123 5.177 -0.929 -9.402 1.00 0.00 H new ATOM 0 HG23 THR A 123 5.465 -2.079 -10.728 1.00 0.00 H new ATOM 875 N ASN A 124 7.786 -0.844 -8.990 1.00 0.00 N ATOM 876 CA ASN A 124 8.270 0.506 -8.720 1.00 0.00 C ATOM 877 C ASN A 124 7.114 1.489 -8.550 1.00 0.00 C ATOM 878 O ASN A 124 6.756 2.208 -9.483 1.00 0.00 O ATOM 879 CB ASN A 124 9.188 0.975 -9.850 1.00 0.00 C ATOM 880 CG ASN A 124 10.437 0.124 -9.971 1.00 0.00 C ATOM 881 OD1 ASN A 124 10.747 -0.396 -11.043 1.00 0.00 O ATOM 882 ND2 ASN A 124 11.162 -0.023 -8.869 1.00 0.00 N ATOM 0 H ASN A 124 7.891 -1.143 -9.960 1.00 0.00 H new ATOM 0 HA ASN A 124 8.832 0.477 -7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 124 8.641 0.949 -10.793 1.00 0.00 H new ATOM 0 HB3 ASN A 124 9.474 2.012 -9.675 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.013 -0.585 -8.890 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.868 0.426 -8.002 1.00 0.00 H new ATOM 889 N VAL A 125 6.541 1.521 -7.350 1.00 0.00 N ATOM 890 CA VAL A 125 5.434 2.423 -7.054 1.00 0.00 C ATOM 891 C VAL A 125 5.921 3.862 -6.857 1.00 0.00 C ATOM 892 O VAL A 125 5.119 4.783 -6.702 1.00 0.00 O ATOM 893 CB VAL A 125 4.653 1.960 -5.807 1.00 0.00 C ATOM 894 CG1 VAL A 125 5.600 1.725 -4.650 1.00 0.00 C ATOM 895 CG2 VAL A 125 3.572 2.960 -5.419 1.00 0.00 C ATOM 0 H VAL A 125 6.826 0.932 -6.567 1.00 0.00 H new ATOM 0 HA VAL A 125 4.765 2.399 -7.914 1.00 0.00 H new ATOM 0 HB VAL A 125 4.158 1.021 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.034 1.399 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.323 0.956 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 125 6.126 2.651 -4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.043 2.600 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 125 4.030 3.924 -5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.868 3.073 -6.243 1.00 0.00 H new ATOM 905 N THR A 126 7.240 4.054 -6.872 1.00 0.00 N ATOM 906 CA THR A 126 7.821 5.380 -6.700 1.00 0.00 C ATOM 907 C THR A 126 7.506 6.274 -7.895 1.00 0.00 C ATOM 908 O THR A 126 6.750 7.239 -7.780 1.00 0.00 O ATOM 909 CB THR A 126 9.334 5.276 -6.512 1.00 0.00 C ATOM 910 OG1 THR A 126 9.914 4.496 -7.542 1.00 0.00 O ATOM 911 CG2 THR A 126 9.732 4.660 -5.189 1.00 0.00 C ATOM 0 H THR A 126 7.923 3.308 -7.001 1.00 0.00 H new ATOM 0 HA THR A 126 7.380 5.828 -5.809 1.00 0.00 H new ATOM 0 HB THR A 126 9.700 6.302 -6.540 1.00 0.00 H new ATOM 0 HG1 THR A 126 10.883 4.442 -7.406 1.00 0.00 H new ATOM 0 HG21 THR A 126 10.819 4.616 -5.120 1.00 0.00 H new ATOM 0 HG22 THR A 126 9.341 5.267 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 126 9.323 3.652 -5.119 1.00 0.00 H new ATOM 919 N ASN A 127 8.093 5.948 -9.044 1.00 0.00 N ATOM 920 CA ASN A 127 7.876 6.722 -10.262 1.00 0.00 C ATOM 921 C ASN A 127 6.678 6.186 -11.043 1.00 0.00 C ATOM 922 O ASN A 127 6.768 5.936 -12.246 1.00 0.00 O ATOM 923 CB ASN A 127 9.129 6.691 -11.139 1.00 0.00 C ATOM 924 CG ASN A 127 10.391 7.001 -10.356 1.00 0.00 C ATOM 925 OD1 ASN A 127 10.625 8.144 -9.962 1.00 0.00 O ATOM 926 ND2 ASN A 127 11.211 5.982 -10.128 1.00 0.00 N ATOM 0 H ASN A 127 8.722 5.153 -9.156 1.00 0.00 H new ATOM 0 HA ASN A 127 7.666 7.753 -9.976 1.00 0.00 H new ATOM 0 HB2 ASN A 127 9.223 5.707 -11.599 1.00 0.00 H new ATOM 0 HB3 ASN A 127 9.020 7.413 -11.949 1.00 0.00 H new ATOM 0 HD21 ASN A 127 12.076 6.130 -9.607 1.00 0.00 H new ATOM 0 HD22 ASN A 127 10.976 5.051 -10.474 1.00 0.00 H new ATOM 933 N HIS A 128 5.559 6.011 -10.350 1.00 0.00 N ATOM 934 CA HIS A 128 4.340 5.503 -10.969 1.00 0.00 C ATOM 935 C HIS A 128 3.110 6.181 -10.374 1.00 0.00 C ATOM 936 O HIS A 128 3.104 6.544 -9.198 1.00 0.00 O ATOM 937 CB HIS A 128 4.224 3.994 -10.751 1.00 0.00 C ATOM 938 CG HIS A 128 5.007 3.164 -11.718 1.00 0.00 C ATOM 939 ND1 HIS A 128 5.671 3.687 -12.807 1.00 0.00 N ATOM 940 CD2 HIS A 128 5.225 1.829 -11.750 1.00 0.00 C ATOM 941 CE1 HIS A 128 6.264 2.709 -13.468 1.00 0.00 C ATOM 942 NE2 HIS A 128 6.010 1.572 -12.848 1.00 0.00 N ATOM 0 H HIS A 128 5.470 6.214 -9.354 1.00 0.00 H new ATOM 0 HA HIS A 128 4.392 5.719 -12.036 1.00 0.00 H new ATOM 0 HB2 HIS A 128 4.555 3.760 -9.739 1.00 0.00 H new ATOM 0 HB3 HIS A 128 3.174 3.710 -10.816 1.00 0.00 H new ATOM 0 HD1 HIS A 128 5.700 4.674 -13.062 1.00 0.00 H new ATOM 0 HD2 HIS A 128 4.852 1.101 -11.044 1.00 0.00 H new ATOM 0 HE1 HIS A 128 6.856 2.821 -14.364 1.00 0.00 H new ATOM 951 N SER A 129 2.062 6.327 -11.178 1.00 0.00 N ATOM 952 CA SER A 129 0.830 6.936 -10.695 1.00 0.00 C ATOM 953 C SER A 129 0.165 6.015 -9.697 1.00 0.00 C ATOM 954 O SER A 129 0.106 4.807 -9.906 1.00 0.00 O ATOM 955 CB SER A 129 -0.143 7.196 -11.832 1.00 0.00 C ATOM 956 OG SER A 129 0.491 7.842 -12.923 1.00 0.00 O ATOM 0 H SER A 129 2.041 6.036 -12.155 1.00 0.00 H new ATOM 0 HA SER A 129 1.090 7.886 -10.229 1.00 0.00 H new ATOM 0 HB2 SER A 129 -0.573 6.252 -12.167 1.00 0.00 H new ATOM 0 HB3 SER A 129 -0.967 7.812 -11.473 1.00 0.00 H new ATOM 0 HG SER A 129 -0.162 7.993 -13.638 1.00 0.00 H new ATOM 962 N VAL A 130 -0.337 6.578 -8.613 1.00 0.00 N ATOM 963 CA VAL A 130 -0.982 5.772 -7.597 1.00 0.00 C ATOM 964 C VAL A 130 -2.109 4.928 -8.178 1.00 0.00 C ATOM 965 O VAL A 130 -2.319 3.792 -7.756 1.00 0.00 O ATOM 966 CB VAL A 130 -1.510 6.631 -6.440 1.00 0.00 C ATOM 967 CG1 VAL A 130 -2.511 7.660 -6.944 1.00 0.00 C ATOM 968 CG2 VAL A 130 -2.126 5.760 -5.353 1.00 0.00 C ATOM 0 H VAL A 130 -0.311 7.578 -8.416 1.00 0.00 H new ATOM 0 HA VAL A 130 -0.219 5.100 -7.204 1.00 0.00 H new ATOM 0 HB VAL A 130 -0.666 7.166 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -2.872 8.257 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -2.028 8.311 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -3.352 7.150 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -2.493 6.392 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -2.955 5.188 -5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -1.372 5.075 -4.965 1.00 0.00 H new ATOM 978 N ASP A 131 -2.817 5.470 -9.155 1.00 0.00 N ATOM 979 CA ASP A 131 -3.901 4.735 -9.792 1.00 0.00 C ATOM 980 C ASP A 131 -3.344 3.503 -10.497 1.00 0.00 C ATOM 981 O ASP A 131 -3.989 2.454 -10.551 1.00 0.00 O ATOM 982 CB ASP A 131 -4.640 5.628 -10.792 1.00 0.00 C ATOM 983 CG ASP A 131 -6.145 5.464 -10.710 1.00 0.00 C ATOM 984 OD1 ASP A 131 -6.758 6.066 -9.804 1.00 0.00 O ATOM 985 OD2 ASP A 131 -6.710 4.735 -11.552 1.00 0.00 O ATOM 0 H ASP A 131 -2.664 6.409 -9.523 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.609 4.419 -9.026 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.380 6.670 -10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.306 5.392 -11.802 1.00 0.00 H new ATOM 990 N GLN A 132 -2.130 3.642 -11.024 1.00 0.00 N ATOM 991 CA GLN A 132 -1.464 2.549 -11.720 1.00 0.00 C ATOM 992 C GLN A 132 -1.128 1.417 -10.758 1.00 0.00 C ATOM 993 O GLN A 132 -1.275 0.244 -11.096 1.00 0.00 O ATOM 994 CB GLN A 132 -0.184 3.048 -12.394 1.00 0.00 C ATOM 995 CG GLN A 132 -0.428 4.121 -13.441 1.00 0.00 C ATOM 996 CD GLN A 132 -0.629 3.546 -14.828 1.00 0.00 C ATOM 997 OE1 GLN A 132 0.332 3.201 -15.517 1.00 0.00 O ATOM 998 NE2 GLN A 132 -1.885 3.439 -15.249 1.00 0.00 N ATOM 0 H GLN A 132 -1.588 4.505 -10.981 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.146 2.170 -12.481 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.488 3.442 -11.632 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.323 2.204 -12.862 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.307 4.703 -13.162 1.00 0.00 H new ATOM 0 HG3 GLN A 132 0.418 4.808 -13.456 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -2.652 3.737 -14.646 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -2.082 3.059 -16.175 1.00 0.00 H new ATOM 1007 N LEU A 133 -0.671 1.774 -9.560 1.00 0.00 N ATOM 1008 CA LEU A 133 -0.312 0.771 -8.563 1.00 0.00 C ATOM 1009 C LEU A 133 -1.548 0.198 -7.893 1.00 0.00 C ATOM 1010 O LEU A 133 -1.650 -1.012 -7.700 1.00 0.00 O ATOM 1011 CB LEU A 133 0.619 1.346 -7.506 1.00 0.00 C ATOM 1012 CG LEU A 133 1.953 1.853 -8.031 1.00 0.00 C ATOM 1013 CD1 LEU A 133 2.594 0.841 -8.966 1.00 0.00 C ATOM 1014 CD2 LEU A 133 1.741 3.172 -8.727 1.00 0.00 C ATOM 0 H LEU A 133 -0.542 2.740 -9.259 1.00 0.00 H new ATOM 0 HA LEU A 133 0.209 -0.029 -9.089 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.109 2.167 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.809 0.579 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 133 2.635 1.995 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.546 1.230 -9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.763 -0.093 -8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.933 0.659 -9.813 1.00 0.00 H new ATOM 0 HD21 LEU A 133 2.694 3.541 -9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.048 3.038 -9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.327 3.893 -8.022 1.00 0.00 H new ATOM 1026 N GLN A 134 -2.493 1.071 -7.544 1.00 0.00 N ATOM 1027 CA GLN A 134 -3.730 0.635 -6.904 1.00 0.00 C ATOM 1028 C GLN A 134 -4.295 -0.559 -7.660 1.00 0.00 C ATOM 1029 O GLN A 134 -4.588 -1.606 -7.075 1.00 0.00 O ATOM 1030 CB GLN A 134 -4.748 1.777 -6.864 1.00 0.00 C ATOM 1031 CG GLN A 134 -4.454 2.818 -5.793 1.00 0.00 C ATOM 1032 CD GLN A 134 -4.565 2.261 -4.388 1.00 0.00 C ATOM 1033 OE1 GLN A 134 -3.437 1.843 -3.828 1.00 0.00 O flip ATOM 1034 NE2 GLN A 134 -5.654 2.206 -3.814 1.00 0.00 N flip ATOM 0 H GLN A 134 -2.425 2.078 -7.693 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.517 0.341 -5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.771 2.266 -7.838 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -5.741 1.362 -6.692 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -3.450 3.214 -5.944 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.146 3.653 -5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -6.496 2.539 -4.284 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.714 1.827 -2.869 1.00 0.00 H new ATOM 1043 N LYS A 135 -4.401 -0.412 -8.976 1.00 0.00 N ATOM 1044 CA LYS A 135 -4.879 -1.494 -9.811 1.00 0.00 C ATOM 1045 C LYS A 135 -3.798 -2.566 -9.912 1.00 0.00 C ATOM 1046 O LYS A 135 -4.095 -3.754 -10.026 1.00 0.00 O ATOM 1047 CB LYS A 135 -5.262 -0.978 -11.198 1.00 0.00 C ATOM 1048 CG LYS A 135 -5.647 -2.082 -12.165 1.00 0.00 C ATOM 1049 CD LYS A 135 -4.467 -2.485 -13.031 1.00 0.00 C ATOM 1050 CE LYS A 135 -4.823 -3.631 -13.965 1.00 0.00 C ATOM 1051 NZ LYS A 135 -5.809 -3.218 -15.002 1.00 0.00 N ATOM 0 H LYS A 135 -4.163 0.442 -9.480 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.772 -1.927 -9.361 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -6.096 -0.282 -11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.425 -0.417 -11.613 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -6.007 -2.948 -11.609 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -6.468 -1.746 -12.798 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -4.135 -1.628 -13.616 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -3.632 -2.779 -12.395 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -3.919 -3.998 -14.450 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -5.232 -4.458 -13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -5.948 -3.996 -15.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -6.716 -2.988 -14.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -5.453 -2.381 -15.506 1.00 0.00 H new ATOM 1065 N ALA A 136 -2.534 -2.134 -9.843 1.00 0.00 N ATOM 1066 CA ALA A 136 -1.407 -3.059 -9.896 1.00 0.00 C ATOM 1067 C ALA A 136 -1.476 -4.035 -8.732 1.00 0.00 C ATOM 1068 O ALA A 136 -1.061 -5.189 -8.843 1.00 0.00 O ATOM 1069 CB ALA A 136 -0.092 -2.298 -9.864 1.00 0.00 C ATOM 0 H ALA A 136 -2.271 -1.153 -9.751 1.00 0.00 H new ATOM 0 HA ALA A 136 -1.461 -3.618 -10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.738 -3.004 -9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.039 -1.627 -10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -0.030 -1.717 -8.944 1.00 0.00 H new ATOM 1075 N MET A 137 -2.024 -3.564 -7.618 1.00 0.00 N ATOM 1076 CA MET A 137 -2.180 -4.393 -6.435 1.00 0.00 C ATOM 1077 C MET A 137 -3.286 -5.401 -6.690 1.00 0.00 C ATOM 1078 O MET A 137 -3.128 -6.598 -6.453 1.00 0.00 O ATOM 1079 CB MET A 137 -2.514 -3.536 -5.213 1.00 0.00 C ATOM 1080 CG MET A 137 -1.473 -2.471 -4.911 1.00 0.00 C ATOM 1081 SD MET A 137 -2.165 -1.054 -4.036 1.00 0.00 S ATOM 1082 CE MET A 137 -0.940 -0.816 -2.752 1.00 0.00 C ATOM 0 H MET A 137 -2.368 -2.610 -7.512 1.00 0.00 H new ATOM 0 HA MET A 137 -1.244 -4.913 -6.231 1.00 0.00 H new ATOM 0 HB2 MET A 137 -3.479 -3.054 -5.371 1.00 0.00 H new ATOM 0 HB3 MET A 137 -2.620 -4.185 -4.343 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.674 -2.908 -4.312 1.00 0.00 H new ATOM 0 HG3 MET A 137 -1.023 -2.133 -5.844 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.161 0.100 -2.204 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.962 -1.663 -2.067 1.00 0.00 H new ATOM 0 HE3 MET A 137 0.049 -0.739 -3.203 1.00 0.00 H new ATOM 1092 N LYS A 138 -4.402 -4.900 -7.216 1.00 0.00 N ATOM 1093 CA LYS A 138 -5.535 -5.751 -7.553 1.00 0.00 C ATOM 1094 C LYS A 138 -5.155 -6.680 -8.702 1.00 0.00 C ATOM 1095 O LYS A 138 -5.740 -7.750 -8.876 1.00 0.00 O ATOM 1096 CB LYS A 138 -6.741 -4.896 -7.950 1.00 0.00 C ATOM 1097 CG LYS A 138 -8.049 -5.673 -7.991 1.00 0.00 C ATOM 1098 CD LYS A 138 -8.675 -5.643 -9.377 1.00 0.00 C ATOM 1099 CE LYS A 138 -9.688 -4.517 -9.506 1.00 0.00 C ATOM 1100 NZ LYS A 138 -11.047 -4.939 -9.070 1.00 0.00 N ATOM 0 H LYS A 138 -4.543 -3.910 -7.417 1.00 0.00 H new ATOM 0 HA LYS A 138 -5.802 -6.347 -6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.840 -4.071 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -6.558 -4.457 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -7.868 -6.706 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -8.746 -5.251 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -7.894 -5.519 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -9.162 -6.597 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -9.363 -3.666 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.727 -4.181 -10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -11.708 -4.143 -9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -11.369 -5.735 -9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -11.016 -5.235 -8.074 1.00 0.00 H new ATOM 1114 N GLU A 139 -4.163 -6.252 -9.480 1.00 0.00 N ATOM 1115 CA GLU A 139 -3.676 -7.019 -10.618 1.00 0.00 C ATOM 1116 C GLU A 139 -3.236 -8.417 -10.189 1.00 0.00 C ATOM 1117 O GLU A 139 -3.831 -9.418 -10.588 1.00 0.00 O ATOM 1118 CB GLU A 139 -2.506 -6.281 -11.270 1.00 0.00 C ATOM 1119 CG GLU A 139 -2.828 -5.729 -12.646 1.00 0.00 C ATOM 1120 CD GLU A 139 -1.657 -5.829 -13.605 1.00 0.00 C ATOM 1121 OE1 GLU A 139 -0.708 -5.029 -13.468 1.00 0.00 O ATOM 1122 OE2 GLU A 139 -1.691 -6.706 -14.493 1.00 0.00 O ATOM 0 H GLU A 139 -3.677 -5.366 -9.338 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.488 -7.125 -11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -2.198 -5.461 -10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.658 -6.961 -11.350 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.679 -6.270 -13.060 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -3.128 -4.685 -12.553 1.00 0.00 H new ATOM 1129 N THR A 140 -2.186 -8.471 -9.375 1.00 0.00 N ATOM 1130 CA THR A 140 -1.653 -9.738 -8.886 1.00 0.00 C ATOM 1131 C THR A 140 -2.744 -10.580 -8.233 1.00 0.00 C ATOM 1132 O THR A 140 -3.793 -10.063 -7.846 1.00 0.00 O ATOM 1133 CB THR A 140 -0.519 -9.490 -7.890 1.00 0.00 C ATOM 1134 OG1 THR A 140 0.023 -8.191 -8.061 1.00 0.00 O ATOM 1135 CG2 THR A 140 0.617 -10.482 -8.018 1.00 0.00 C ATOM 0 H THR A 140 -1.686 -7.648 -9.039 1.00 0.00 H new ATOM 0 HA THR A 140 -1.263 -10.288 -9.742 1.00 0.00 H new ATOM 0 HB THR A 140 -0.970 -9.604 -6.904 1.00 0.00 H new ATOM 0 HG1 THR A 140 0.714 -8.033 -7.384 1.00 0.00 H new ATOM 0 HG21 THR A 140 1.388 -10.249 -7.283 1.00 0.00 H new ATOM 0 HG22 THR A 140 0.241 -11.490 -7.843 1.00 0.00 H new ATOM 0 HG23 THR A 140 1.041 -10.422 -9.020 1.00 0.00 H new ATOM 1143 N LYS A 141 -2.490 -11.882 -8.119 1.00 0.00 N ATOM 1144 CA LYS A 141 -3.447 -12.810 -7.518 1.00 0.00 C ATOM 1145 C LYS A 141 -4.061 -12.234 -6.244 1.00 0.00 C ATOM 1146 O LYS A 141 -5.211 -12.524 -5.913 1.00 0.00 O ATOM 1147 CB LYS A 141 -2.768 -14.147 -7.214 1.00 0.00 C ATOM 1148 CG LYS A 141 -1.674 -14.056 -6.162 1.00 0.00 C ATOM 1149 CD LYS A 141 -0.289 -14.092 -6.790 1.00 0.00 C ATOM 1150 CE LYS A 141 0.086 -15.499 -7.230 1.00 0.00 C ATOM 1151 NZ LYS A 141 0.817 -15.498 -8.527 1.00 0.00 N ATOM 0 H LYS A 141 -1.625 -12.320 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 141 -4.251 -12.969 -8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -3.522 -14.859 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -2.341 -14.544 -8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -1.792 -13.134 -5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.776 -14.881 -5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.260 -13.421 -7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 141 0.446 -13.725 -6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 141 0.706 -15.966 -6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -0.816 -16.103 -7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 1.055 -16.475 -8.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 0.217 -15.076 -9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 1.691 -14.943 -8.432 1.00 0.00 H new ATOM 1165 N GLY A 142 -3.291 -11.414 -5.534 1.00 0.00 N ATOM 1166 CA GLY A 142 -3.788 -10.813 -4.311 1.00 0.00 C ATOM 1167 C GLY A 142 -2.690 -10.495 -3.313 1.00 0.00 C ATOM 1168 O GLY A 142 -2.709 -9.440 -2.681 1.00 0.00 O ATOM 0 H GLY A 142 -2.336 -11.156 -5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -4.324 -9.896 -4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -4.507 -11.489 -3.848 1.00 0.00 H new ATOM 1172 N MET A 143 -1.741 -11.411 -3.161 1.00 0.00 N ATOM 1173 CA MET A 143 -0.641 -11.219 -2.221 1.00 0.00 C ATOM 1174 C MET A 143 0.248 -10.052 -2.643 1.00 0.00 C ATOM 1175 O MET A 143 0.919 -10.112 -3.673 1.00 0.00 O ATOM 1176 CB MET A 143 0.193 -12.496 -2.110 1.00 0.00 C ATOM 1177 CG MET A 143 0.597 -13.080 -3.456 1.00 0.00 C ATOM 1178 SD MET A 143 0.146 -14.818 -3.628 1.00 0.00 S ATOM 1179 CE MET A 143 1.652 -15.616 -3.078 1.00 0.00 C ATOM 0 H MET A 143 -1.710 -12.292 -3.674 1.00 0.00 H new ATOM 0 HA MET A 143 -1.071 -10.987 -1.247 1.00 0.00 H new ATOM 0 HB2 MET A 143 1.092 -12.284 -1.531 1.00 0.00 H new ATOM 0 HB3 MET A 143 -0.374 -13.243 -1.555 1.00 0.00 H new ATOM 0 HG2 MET A 143 0.124 -12.506 -4.253 1.00 0.00 H new ATOM 0 HG3 MET A 143 1.674 -12.975 -3.584 1.00 0.00 H new ATOM 0 HE1 MET A 143 1.529 -16.698 -3.127 1.00 0.00 H new ATOM 0 HE2 MET A 143 2.479 -15.315 -3.721 1.00 0.00 H new ATOM 0 HE3 MET A 143 1.866 -15.321 -2.051 1.00 0.00 H new ATOM 1189 N ILE A 144 0.254 -8.992 -1.836 1.00 0.00 N ATOM 1190 CA ILE A 144 1.068 -7.817 -2.130 1.00 0.00 C ATOM 1191 C ILE A 144 2.041 -7.520 -0.999 1.00 0.00 C ATOM 1192 O ILE A 144 1.727 -7.719 0.176 1.00 0.00 O ATOM 1193 CB ILE A 144 0.206 -6.566 -2.388 1.00 0.00 C ATOM 1194 CG1 ILE A 144 -0.831 -6.851 -3.470 1.00 0.00 C ATOM 1195 CG2 ILE A 144 1.082 -5.386 -2.788 1.00 0.00 C ATOM 1196 CD1 ILE A 144 -0.230 -7.371 -4.758 1.00 0.00 C ATOM 0 H ILE A 144 -0.293 -8.924 -0.978 1.00 0.00 H new ATOM 0 HA ILE A 144 1.625 -8.052 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 144 -0.315 -6.309 -1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -1.548 -7.580 -3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -1.386 -5.937 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 144 0.456 -4.512 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 144 1.788 -5.169 -1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 144 1.630 -5.631 -3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -1.024 -7.552 -5.483 1.00 0.00 H new ATOM 0 HD12 ILE A 144 0.466 -6.634 -5.159 1.00 0.00 H new ATOM 0 HD13 ILE A 144 0.301 -8.302 -4.562 1.00 0.00 H new ATOM 1208 N SER A 145 3.217 -7.036 -1.377 1.00 0.00 N ATOM 1209 CA SER A 145 4.270 -6.690 -0.427 1.00 0.00 C ATOM 1210 C SER A 145 4.736 -5.255 -0.657 1.00 0.00 C ATOM 1211 O SER A 145 5.549 -4.993 -1.544 1.00 0.00 O ATOM 1212 CB SER A 145 5.448 -7.652 -0.581 1.00 0.00 C ATOM 1213 OG SER A 145 6.620 -7.126 0.019 1.00 0.00 O ATOM 0 H SER A 145 3.469 -6.872 -2.352 1.00 0.00 H new ATOM 0 HA SER A 145 3.872 -6.773 0.585 1.00 0.00 H new ATOM 0 HB2 SER A 145 5.201 -8.610 -0.124 1.00 0.00 H new ATOM 0 HB3 SER A 145 5.631 -7.841 -1.639 1.00 0.00 H new ATOM 0 HG SER A 145 7.358 -7.761 -0.092 1.00 0.00 H new ATOM 1219 N LEU A 146 4.209 -4.329 0.135 1.00 0.00 N ATOM 1220 CA LEU A 146 4.565 -2.918 0.004 1.00 0.00 C ATOM 1221 C LEU A 146 5.725 -2.553 0.911 1.00 0.00 C ATOM 1222 O LEU A 146 5.655 -2.735 2.124 1.00 0.00 O ATOM 1223 CB LEU A 146 3.374 -2.025 0.351 1.00 0.00 C ATOM 1224 CG LEU A 146 2.082 -2.335 -0.403 1.00 0.00 C ATOM 1225 CD1 LEU A 146 0.958 -2.647 0.572 1.00 0.00 C ATOM 1226 CD2 LEU A 146 1.702 -1.168 -1.303 1.00 0.00 C ATOM 0 H LEU A 146 3.535 -4.527 0.874 1.00 0.00 H new ATOM 0 HA LEU A 146 4.858 -2.758 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 146 3.179 -2.107 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.649 -0.989 0.155 1.00 0.00 H new ATOM 0 HG LEU A 146 2.247 -3.213 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 146 0.045 -2.865 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 146 1.231 -3.512 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 146 0.791 -1.788 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 146 0.780 -1.403 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 146 1.554 -0.274 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 146 2.500 -0.990 -2.024 1.00 0.00 H new ATOM 1238 N LYS A 147 6.780 -2.012 0.318 1.00 0.00 N ATOM 1239 CA LYS A 147 7.946 -1.595 1.083 1.00 0.00 C ATOM 1240 C LYS A 147 7.772 -0.156 1.544 1.00 0.00 C ATOM 1241 O LYS A 147 7.740 0.765 0.727 1.00 0.00 O ATOM 1242 CB LYS A 147 9.222 -1.728 0.253 1.00 0.00 C ATOM 1243 CG LYS A 147 9.802 -3.135 0.247 1.00 0.00 C ATOM 1244 CD LYS A 147 11.035 -3.232 1.132 1.00 0.00 C ATOM 1245 CE LYS A 147 11.513 -4.667 1.269 1.00 0.00 C ATOM 1246 NZ LYS A 147 10.749 -5.412 2.308 1.00 0.00 N ATOM 0 H LYS A 147 6.852 -1.852 -0.687 1.00 0.00 H new ATOM 0 HA LYS A 147 8.037 -2.245 1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 147 9.011 -1.427 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.971 -1.037 0.640 1.00 0.00 H new ATOM 0 HG2 LYS A 147 9.048 -3.842 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 147 10.061 -3.419 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 147 11.834 -2.620 0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 147 10.808 -2.828 2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 147 11.412 -5.176 0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 147 12.573 -4.674 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 11.256 -6.287 2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 10.651 -4.820 3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 9.805 -5.650 1.941 1.00 0.00 H new ATOM 1260 N VAL A 148 7.644 0.035 2.850 1.00 0.00 N ATOM 1261 CA VAL A 148 7.456 1.365 3.402 1.00 0.00 C ATOM 1262 C VAL A 148 8.579 1.735 4.361 1.00 0.00 C ATOM 1263 O VAL A 148 9.349 0.878 4.794 1.00 0.00 O ATOM 1264 CB VAL A 148 6.097 1.481 4.128 1.00 0.00 C ATOM 1265 CG1 VAL A 148 4.976 0.953 3.245 1.00 0.00 C ATOM 1266 CG2 VAL A 148 6.127 0.738 5.457 1.00 0.00 C ATOM 0 H VAL A 148 7.667 -0.713 3.543 1.00 0.00 H new ATOM 0 HA VAL A 148 7.470 2.061 2.564 1.00 0.00 H new ATOM 0 HB VAL A 148 5.909 2.535 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 148 4.026 1.042 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 148 4.936 1.533 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 148 5.163 -0.094 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 148 5.159 0.834 5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 148 6.341 -0.316 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 148 6.902 1.163 6.094 1.00 0.00 H new ATOM 1276 N ILE A 149 8.664 3.017 4.689 1.00 0.00 N ATOM 1277 CA ILE A 149 9.691 3.504 5.598 1.00 0.00 C ATOM 1278 C ILE A 149 9.083 3.878 6.950 1.00 0.00 C ATOM 1279 O ILE A 149 7.895 4.188 7.041 1.00 0.00 O ATOM 1280 CB ILE A 149 10.442 4.716 4.989 1.00 0.00 C ATOM 1281 CG1 ILE A 149 11.889 4.333 4.668 1.00 0.00 C ATOM 1282 CG2 ILE A 149 10.404 5.927 5.914 1.00 0.00 C ATOM 1283 CD1 ILE A 149 12.396 4.921 3.369 1.00 0.00 C ATOM 0 H ILE A 149 8.034 3.738 4.339 1.00 0.00 H new ATOM 0 HA ILE A 149 10.410 2.700 5.753 1.00 0.00 H new ATOM 0 HB ILE A 149 9.933 4.993 4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 149 12.533 4.664 5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 149 11.967 3.247 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 149 10.941 6.755 5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 149 9.368 6.219 6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 149 10.875 5.674 6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 149 13.427 4.608 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 149 11.776 4.570 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 149 12.351 6.009 3.420 1.00 0.00 H new ATOM 1295 N PRO A 150 9.894 3.855 8.022 1.00 0.00 N ATOM 1296 CA PRO A 150 9.430 4.196 9.369 1.00 0.00 C ATOM 1297 C PRO A 150 8.786 5.576 9.420 1.00 0.00 C ATOM 1298 O PRO A 150 9.334 6.546 8.898 1.00 0.00 O ATOM 1299 CB PRO A 150 10.708 4.165 10.222 1.00 0.00 C ATOM 1300 CG PRO A 150 11.838 4.176 9.246 1.00 0.00 C ATOM 1301 CD PRO A 150 11.321 3.503 8.008 1.00 0.00 C ATOM 0 HA PRO A 150 8.663 3.506 9.719 1.00 0.00 H new ATOM 0 HB2 PRO A 150 10.756 5.026 10.888 1.00 0.00 H new ATOM 0 HB3 PRO A 150 10.740 3.274 10.849 1.00 0.00 H new ATOM 0 HG2 PRO A 150 12.158 5.196 9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 150 12.704 3.647 9.645 1.00 0.00 H new ATOM 0 HD2 PRO A 150 11.820 3.868 7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 150 11.472 2.424 8.040 1.00 0.00 H new ATOM 1309 N ASN A 151 7.617 5.653 10.048 1.00 0.00 N ATOM 1310 CA ASN A 151 6.894 6.915 10.165 1.00 0.00 C ATOM 1311 C ASN A 151 7.701 7.937 10.960 1.00 0.00 C ATOM 1312 O ASN A 151 7.464 8.142 12.150 1.00 0.00 O ATOM 1313 CB ASN A 151 5.535 6.690 10.832 1.00 0.00 C ATOM 1314 CG ASN A 151 5.658 6.011 12.182 1.00 0.00 C ATOM 1315 OD1 ASN A 151 5.644 4.683 12.181 1.00 0.00 O flip ATOM 1316 ND2 ASN A 151 5.765 6.673 13.215 1.00 0.00 N flip ATOM 0 H ASN A 151 7.150 4.857 10.483 1.00 0.00 H new ATOM 0 HA ASN A 151 6.738 7.307 9.160 1.00 0.00 H new ATOM 0 HB2 ASN A 151 5.031 7.649 10.955 1.00 0.00 H new ATOM 0 HB3 ASN A 151 4.909 6.082 10.179 1.00 0.00 H new ATOM 0 HD21 ASN A 151 5.771 7.692 13.169 1.00 0.00 H new ATOM 0 HD22 ASN A 151 5.847 6.202 14.116 1.00 0.00 H new