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 134 GLN :FLIP amide:sc= -0.771 F(o=-3.8,f=-2.8) USER MOD Set 1.2: A 137 MET CE :methyl -112:sc= -1.99 (180deg=-3.08!) USER MOD Set 2.1: A 121 ASN :FLIP amide:sc= -1.62! F(o=-5,f=-0.8!) USER MOD Set 2.2: A 140 THR OG1 : rot -153:sc= 0.823 USER MOD Set 3.1: A 112 HIS : no HD1:sc= -1.76 K(o=-4.3,f=-5.2) USER MOD Set 3.2: A 151 ASN :FLIP amide:sc= -2.52! C(o=-7.2!,f=-4.3!) USER MOD Single : A 73 GLN : amide:sc= -0.751 K(o=-0.75,f=-2.8!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -109:sc= -2.88! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HE2:sc= 0.0231 X(o=0.023,f=-0.12) USER MOD Single : A 108 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.18) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0664 X(o=-0.066,f=-0.01) USER MOD Single : A 126 THR OG1 : rot -62:sc= 1.13 USER MOD Single : A 127 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.041) USER MOD Single : A 128 HIS :FLIP no HD1:sc= -0.83 F(o=-4.1!,f=-0.83) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc=-0.00203 X(o=-0.002,f=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ -155:sc= -0.0705 (180deg=-0.447) USER MOD Single : A 143 MET CE :methyl 169:sc= 0 (180deg=-0.166) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.084) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 69 13.518 0.792 6.415 1.00 0.00 N ATOM 2 CA VAL A 69 12.382 0.402 5.540 1.00 0.00 C ATOM 3 C VAL A 69 11.482 -0.619 6.227 1.00 0.00 C ATOM 4 O VAL A 69 11.726 -1.014 7.368 1.00 0.00 O ATOM 5 CB VAL A 69 12.880 -0.185 4.204 1.00 0.00 C ATOM 6 CG1 VAL A 69 13.697 0.846 3.441 1.00 0.00 C ATOM 7 CG2 VAL A 69 13.690 -1.452 4.437 1.00 0.00 C ATOM 0 HA VAL A 69 11.810 1.308 5.341 1.00 0.00 H new ATOM 0 HB VAL A 69 12.011 -0.448 3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 69 14.040 0.415 2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.079 1.720 3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.558 1.143 4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.030 -1.847 3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.553 -1.222 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 69 13.068 -2.195 4.936 1.00 0.00 H new ATOM 17 N ARG A 70 10.439 -1.039 5.523 1.00 0.00 N ATOM 18 CA ARG A 70 9.491 -2.010 6.052 1.00 0.00 C ATOM 19 C ARG A 70 8.653 -2.589 4.922 1.00 0.00 C ATOM 20 O ARG A 70 8.547 -1.986 3.857 1.00 0.00 O ATOM 21 CB ARG A 70 8.585 -1.349 7.096 1.00 0.00 C ATOM 22 CG ARG A 70 8.672 -1.987 8.473 1.00 0.00 C ATOM 23 CD ARG A 70 7.649 -3.100 8.638 1.00 0.00 C ATOM 24 NE ARG A 70 6.904 -2.979 9.888 1.00 0.00 N ATOM 25 CZ ARG A 70 7.428 -3.210 11.089 1.00 0.00 C ATOM 26 NH1 ARG A 70 8.699 -3.574 11.208 1.00 0.00 N ATOM 27 NH2 ARG A 70 6.680 -3.077 12.176 1.00 0.00 N ATOM 0 H ARG A 70 10.228 -0.720 4.578 1.00 0.00 H new ATOM 0 HA ARG A 70 10.044 -2.818 6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.848 -0.294 7.177 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.553 -1.394 6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.674 -2.387 8.627 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.511 -1.227 9.238 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.954 -3.081 7.799 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.156 -4.065 8.610 1.00 0.00 H new ATOM 0 HE ARG A 70 5.924 -2.701 9.837 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.280 -3.678 10.376 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.095 -3.750 12.131 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.703 -2.798 12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.082 -3.254 13.097 1.00 0.00 H new ATOM 41 N LEU A 71 8.054 -3.754 5.149 1.00 0.00 N ATOM 42 CA LEU A 71 7.229 -4.382 4.123 1.00 0.00 C ATOM 43 C LEU A 71 5.868 -4.789 4.683 1.00 0.00 C ATOM 44 O LEU A 71 5.728 -5.058 5.875 1.00 0.00 O ATOM 45 CB LEU A 71 7.957 -5.590 3.506 1.00 0.00 C ATOM 46 CG LEU A 71 7.542 -6.979 4.019 1.00 0.00 C ATOM 47 CD1 LEU A 71 7.170 -7.885 2.856 1.00 0.00 C ATOM 48 CD2 LEU A 71 8.658 -7.601 4.846 1.00 0.00 C ATOM 0 H LEU A 71 8.123 -4.277 6.022 1.00 0.00 H new ATOM 0 HA LEU A 71 7.056 -3.650 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.804 -5.565 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.026 -5.468 3.679 1.00 0.00 H new ATOM 0 HG LEU A 71 6.667 -6.862 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.879 -8.864 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.337 -7.447 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.027 -7.994 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.345 -8.583 5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.552 -7.705 4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.878 -6.961 5.700 1.00 0.00 H new ATOM 60 N ILE A 72 4.873 -4.836 3.806 1.00 0.00 N ATOM 61 CA ILE A 72 3.521 -5.215 4.197 1.00 0.00 C ATOM 62 C ILE A 72 2.970 -6.267 3.245 1.00 0.00 C ATOM 63 O ILE A 72 2.783 -6.000 2.058 1.00 0.00 O ATOM 64 CB ILE A 72 2.570 -4.002 4.207 1.00 0.00 C ATOM 65 CG1 ILE A 72 3.303 -2.748 4.692 1.00 0.00 C ATOM 66 CG2 ILE A 72 1.357 -4.286 5.082 1.00 0.00 C ATOM 67 CD1 ILE A 72 3.746 -2.826 6.137 1.00 0.00 C ATOM 0 H ILE A 72 4.978 -4.615 2.816 1.00 0.00 H new ATOM 0 HA ILE A 72 3.580 -5.620 5.207 1.00 0.00 H new ATOM 0 HB ILE A 72 2.226 -3.824 3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.176 -2.581 4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.650 -1.884 4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.695 -3.420 5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.823 -5.153 4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.684 -4.489 6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.258 -1.903 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.875 -2.962 6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.425 -3.669 6.264 1.00 0.00 H new ATOM 79 N GLN A 73 2.714 -7.461 3.764 1.00 0.00 N ATOM 80 CA GLN A 73 2.192 -8.543 2.945 1.00 0.00 C ATOM 81 C GLN A 73 0.767 -8.896 3.341 1.00 0.00 C ATOM 82 O GLN A 73 0.510 -9.313 4.471 1.00 0.00 O ATOM 83 CB GLN A 73 3.088 -9.778 3.055 1.00 0.00 C ATOM 84 CG GLN A 73 4.036 -9.946 1.878 1.00 0.00 C ATOM 85 CD GLN A 73 3.540 -10.972 0.877 1.00 0.00 C ATOM 86 OE1 GLN A 73 2.587 -11.703 1.142 1.00 0.00 O ATOM 87 NE2 GLN A 73 4.187 -11.031 -0.282 1.00 0.00 N ATOM 0 H GLN A 73 2.859 -7.702 4.744 1.00 0.00 H new ATOM 0 HA GLN A 73 2.183 -8.202 1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.670 -9.714 3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.461 -10.666 3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.163 -8.986 1.377 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.017 -10.246 2.245 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.973 -10.405 -0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.898 -11.702 -0.994 1.00 0.00 H new ATOM 96 N PHE A 74 -0.156 -8.738 2.400 1.00 0.00 N ATOM 97 CA PHE A 74 -1.554 -9.060 2.655 1.00 0.00 C ATOM 98 C PHE A 74 -2.148 -9.840 1.490 1.00 0.00 C ATOM 99 O PHE A 74 -1.465 -10.110 0.502 1.00 0.00 O ATOM 100 CB PHE A 74 -2.375 -7.793 2.919 1.00 0.00 C ATOM 101 CG PHE A 74 -2.186 -6.701 1.902 1.00 0.00 C ATOM 102 CD1 PHE A 74 -2.391 -6.939 0.550 1.00 0.00 C ATOM 103 CD2 PHE A 74 -1.812 -5.429 2.303 1.00 0.00 C ATOM 104 CE1 PHE A 74 -2.224 -5.927 -0.378 1.00 0.00 C ATOM 105 CE2 PHE A 74 -1.645 -4.416 1.381 1.00 0.00 C ATOM 106 CZ PHE A 74 -1.850 -4.665 0.038 1.00 0.00 C ATOM 0 H PHE A 74 0.036 -8.391 1.460 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.593 -9.683 3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.431 -8.061 2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.113 -7.404 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.684 -7.924 0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.649 -5.227 3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.386 -6.124 -1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.354 -3.429 1.709 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.718 -3.874 -0.685 1.00 0.00 H new ATOM 116 N GLU A 75 -3.422 -10.202 1.610 1.00 0.00 N ATOM 117 CA GLU A 75 -4.100 -10.957 0.562 1.00 0.00 C ATOM 118 C GLU A 75 -5.239 -10.151 -0.056 1.00 0.00 C ATOM 119 O GLU A 75 -5.805 -9.264 0.582 1.00 0.00 O ATOM 120 CB GLU A 75 -4.643 -12.276 1.124 1.00 0.00 C ATOM 121 CG GLU A 75 -5.980 -12.136 1.841 1.00 0.00 C ATOM 122 CD GLU A 75 -6.465 -13.446 2.430 1.00 0.00 C ATOM 123 OE1 GLU A 75 -6.180 -14.508 1.835 1.00 0.00 O ATOM 124 OE2 GLU A 75 -7.130 -13.412 3.487 1.00 0.00 O ATOM 0 H GLU A 75 -4.004 -9.986 2.419 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.370 -11.170 -0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.752 -12.990 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.912 -12.693 1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.886 -11.397 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.726 -11.758 1.141 1.00 0.00 H new ATOM 244 N GLY A 83 -9.955 -2.191 1.280 1.00 0.00 N ATOM 245 CA GLY A 83 -10.107 -0.945 0.554 1.00 0.00 C ATOM 246 C GLY A 83 -9.204 0.151 1.083 1.00 0.00 C ATOM 247 O GLY A 83 -9.629 0.990 1.875 1.00 0.00 O ATOM 0 HA2 GLY A 83 -9.888 -1.114 -0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.145 -0.617 0.615 1.00 0.00 H new ATOM 251 N ILE A 84 -7.952 0.138 0.642 1.00 0.00 N ATOM 252 CA ILE A 84 -6.978 1.134 1.075 1.00 0.00 C ATOM 253 C ILE A 84 -6.725 2.176 -0.010 1.00 0.00 C ATOM 254 O ILE A 84 -6.918 1.912 -1.197 1.00 0.00 O ATOM 255 CB ILE A 84 -5.639 0.479 1.458 1.00 0.00 C ATOM 256 CG1 ILE A 84 -5.089 -0.334 0.286 1.00 0.00 C ATOM 257 CG2 ILE A 84 -5.815 -0.401 2.685 1.00 0.00 C ATOM 258 CD1 ILE A 84 -3.593 -0.197 0.103 1.00 0.00 C ATOM 0 H ILE A 84 -7.587 -0.551 -0.015 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.403 1.625 1.951 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.922 1.264 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.333 -1.385 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.589 -0.019 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.860 -0.858 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.166 0.205 3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.545 -1.182 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.274 -0.801 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.343 0.848 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.083 -0.539 1.004 1.00 0.00 H new ATOM 270 N THR A 85 -6.290 3.360 0.410 1.00 0.00 N ATOM 271 CA THR A 85 -6.006 4.447 -0.518 1.00 0.00 C ATOM 272 C THR A 85 -4.819 5.270 -0.027 1.00 0.00 C ATOM 273 O THR A 85 -4.507 5.270 1.164 1.00 0.00 O ATOM 274 CB THR A 85 -7.234 5.342 -0.681 1.00 0.00 C ATOM 275 OG1 THR A 85 -8.337 4.596 -1.164 1.00 0.00 O ATOM 276 CG2 THR A 85 -7.011 6.498 -1.629 1.00 0.00 C ATOM 0 H THR A 85 -6.126 3.590 1.390 1.00 0.00 H new ATOM 0 HA THR A 85 -5.755 4.016 -1.487 1.00 0.00 H new ATOM 0 HB THR A 85 -7.433 5.743 0.313 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.114 5.186 -1.260 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.922 7.093 -1.698 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.198 7.122 -1.257 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.752 6.114 -2.616 1.00 0.00 H new ATOM 284 N LEU A 86 -4.158 5.968 -0.944 1.00 0.00 N ATOM 285 CA LEU A 86 -3.007 6.788 -0.584 1.00 0.00 C ATOM 286 C LEU A 86 -3.024 8.127 -1.314 1.00 0.00 C ATOM 287 O LEU A 86 -3.623 8.261 -2.382 1.00 0.00 O ATOM 288 CB LEU A 86 -1.691 6.039 -0.860 1.00 0.00 C ATOM 289 CG LEU A 86 -1.371 5.753 -2.324 1.00 0.00 C ATOM 290 CD1 LEU A 86 -2.503 4.975 -2.973 1.00 0.00 C ATOM 291 CD2 LEU A 86 -1.089 7.051 -3.063 1.00 0.00 C ATOM 0 H LEU A 86 -4.397 5.983 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.072 6.990 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.871 6.620 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.718 5.090 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.474 5.136 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.258 4.779 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.641 4.029 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.423 5.558 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.862 6.834 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.965 7.698 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.238 7.554 -2.604 1.00 0.00 H new ATOM 303 N LYS A 87 -2.356 9.113 -0.724 1.00 0.00 N ATOM 304 CA LYS A 87 -2.277 10.448 -1.301 1.00 0.00 C ATOM 305 C LYS A 87 -0.824 10.908 -1.397 1.00 0.00 C ATOM 306 O LYS A 87 -0.065 10.812 -0.431 1.00 0.00 O ATOM 307 CB LYS A 87 -3.082 11.437 -0.454 1.00 0.00 C ATOM 308 CG LYS A 87 -4.560 11.094 -0.362 1.00 0.00 C ATOM 309 CD LYS A 87 -5.123 11.418 1.012 1.00 0.00 C ATOM 310 CE LYS A 87 -6.587 11.022 1.121 1.00 0.00 C ATOM 311 NZ LYS A 87 -7.480 12.018 0.466 1.00 0.00 N ATOM 0 H LYS A 87 -1.858 9.010 0.160 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.698 10.413 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.661 11.469 0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.975 12.436 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.111 11.648 -1.122 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.702 10.034 -0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.546 10.896 1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.018 12.485 1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.734 10.045 0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.860 10.925 2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.470 11.713 0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.358 12.945 0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.237 12.092 -0.542 1.00 0.00 H new ATOM 325 N LEU A 88 -0.436 11.393 -2.570 1.00 0.00 N ATOM 326 CA LEU A 88 0.929 11.861 -2.781 1.00 0.00 C ATOM 327 C LEU A 88 0.954 13.232 -3.447 1.00 0.00 C ATOM 328 O LEU A 88 -0.001 13.629 -4.114 1.00 0.00 O ATOM 329 CB LEU A 88 1.708 10.861 -3.623 1.00 0.00 C ATOM 330 CG LEU A 88 1.127 10.594 -5.011 1.00 0.00 C ATOM 331 CD1 LEU A 88 2.157 10.899 -6.083 1.00 0.00 C ATOM 332 CD2 LEU A 88 0.648 9.154 -5.122 1.00 0.00 C ATOM 0 H LEU A 88 -1.043 11.473 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 88 1.401 11.952 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.730 11.223 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.763 9.917 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 88 0.270 11.251 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.728 10.704 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.452 11.946 -6.017 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.032 10.266 -5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.238 8.983 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.486 8.478 -4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.123 8.969 -4.375 1.00 0.00 H new ATOM 344 N ASN A 89 2.063 13.942 -3.273 1.00 0.00 N ATOM 345 CA ASN A 89 2.229 15.261 -3.869 1.00 0.00 C ATOM 346 C ASN A 89 2.917 15.141 -5.227 1.00 0.00 C ATOM 347 O ASN A 89 2.989 14.053 -5.799 1.00 0.00 O ATOM 348 CB ASN A 89 3.046 16.165 -2.943 1.00 0.00 C ATOM 349 CG ASN A 89 2.585 16.088 -1.501 1.00 0.00 C ATOM 350 OD1 ASN A 89 1.771 16.896 -1.053 1.00 0.00 O ATOM 351 ND2 ASN A 89 3.106 15.113 -0.764 1.00 0.00 N ATOM 0 H ASN A 89 2.861 13.625 -2.723 1.00 0.00 H new ATOM 0 HA ASN A 89 1.244 15.706 -4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.097 15.883 -3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.973 17.196 -3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.834 15.012 0.214 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.778 14.465 -1.176 1.00 0.00 H new ATOM 358 N GLU A 90 3.426 16.256 -5.737 1.00 0.00 N ATOM 359 CA GLU A 90 4.111 16.260 -7.026 1.00 0.00 C ATOM 360 C GLU A 90 5.414 15.463 -6.959 1.00 0.00 C ATOM 361 O GLU A 90 5.994 15.118 -7.989 1.00 0.00 O ATOM 362 CB GLU A 90 4.400 17.696 -7.468 1.00 0.00 C ATOM 363 CG GLU A 90 5.368 18.431 -6.555 1.00 0.00 C ATOM 364 CD GLU A 90 5.853 19.738 -7.151 1.00 0.00 C ATOM 365 OE1 GLU A 90 6.499 19.699 -8.219 1.00 0.00 O ATOM 366 OE2 GLU A 90 5.585 20.799 -6.551 1.00 0.00 O ATOM 0 H GLU A 90 3.378 17.167 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 90 3.456 15.785 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.807 17.681 -8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.462 18.250 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.881 18.630 -5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.225 17.790 -6.349 1.00 0.00 H new ATOM 373 N LYS A 91 5.872 15.179 -5.742 1.00 0.00 N ATOM 374 CA LYS A 91 7.108 14.431 -5.539 1.00 0.00 C ATOM 375 C LYS A 91 6.981 12.987 -6.022 1.00 0.00 C ATOM 376 O LYS A 91 7.986 12.306 -6.222 1.00 0.00 O ATOM 377 CB LYS A 91 7.489 14.441 -4.057 1.00 0.00 C ATOM 378 CG LYS A 91 8.408 15.589 -3.671 1.00 0.00 C ATOM 379 CD LYS A 91 9.742 15.503 -4.396 1.00 0.00 C ATOM 380 CE LYS A 91 10.843 14.979 -3.486 1.00 0.00 C ATOM 381 NZ LYS A 91 11.876 16.016 -3.214 1.00 0.00 N ATOM 0 H LYS A 91 5.403 15.457 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 91 7.887 14.918 -6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.580 14.497 -3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.976 13.498 -3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.925 16.538 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.576 15.575 -2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.644 14.849 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.017 16.489 -4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.408 14.644 -2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.313 14.110 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.609 15.621 -2.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.309 16.318 -4.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.432 16.835 -2.751 1.00 0.00 H new ATOM 395 N GLN A 92 5.748 12.517 -6.194 1.00 0.00 N ATOM 396 CA GLN A 92 5.518 11.147 -6.639 1.00 0.00 C ATOM 397 C GLN A 92 6.090 10.160 -5.626 1.00 0.00 C ATOM 398 O GLN A 92 6.959 9.351 -5.954 1.00 0.00 O ATOM 399 CB GLN A 92 6.150 10.919 -8.014 1.00 0.00 C ATOM 400 CG GLN A 92 5.254 11.329 -9.172 1.00 0.00 C ATOM 401 CD GLN A 92 5.952 11.232 -10.514 1.00 0.00 C ATOM 402 OE1 GLN A 92 6.998 10.594 -10.638 1.00 0.00 O ATOM 403 NE2 GLN A 92 5.376 11.866 -11.529 1.00 0.00 N ATOM 0 H GLN A 92 4.900 13.060 -6.033 1.00 0.00 H new ATOM 0 HA GLN A 92 4.443 10.984 -6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.084 11.478 -8.073 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.403 9.864 -8.118 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.367 10.696 -9.182 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.913 12.353 -9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.509 12.383 -11.381 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.800 11.836 -12.456 1.00 0.00 H new ATOM 412 N SER A 93 5.615 10.249 -4.385 1.00 0.00 N ATOM 413 CA SER A 93 6.103 9.378 -3.319 1.00 0.00 C ATOM 414 C SER A 93 4.997 8.529 -2.698 1.00 0.00 C ATOM 415 O SER A 93 5.200 7.908 -1.654 1.00 0.00 O ATOM 416 CB SER A 93 6.771 10.224 -2.241 1.00 0.00 C ATOM 417 OG SER A 93 8.171 10.007 -2.210 1.00 0.00 O ATOM 0 H SER A 93 4.896 10.912 -4.094 1.00 0.00 H new ATOM 0 HA SER A 93 6.821 8.689 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.568 11.279 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.342 9.983 -1.269 1.00 0.00 H new ATOM 0 HG SER A 93 8.573 10.564 -1.511 1.00 0.00 H new ATOM 423 N CYS A 94 3.841 8.498 -3.348 1.00 0.00 N ATOM 424 CA CYS A 94 2.691 7.713 -2.874 1.00 0.00 C ATOM 425 C CYS A 94 2.669 7.576 -1.352 1.00 0.00 C ATOM 426 O CYS A 94 3.185 6.600 -0.807 1.00 0.00 O ATOM 427 CB CYS A 94 2.698 6.318 -3.506 1.00 0.00 C ATOM 428 SG CYS A 94 4.347 5.628 -3.783 1.00 0.00 S ATOM 0 H CYS A 94 3.667 9.010 -4.213 1.00 0.00 H new ATOM 0 HA CYS A 94 1.795 8.255 -3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.137 5.639 -2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.172 6.362 -4.459 1.00 0.00 H new ATOM 0 HG CYS A 94 4.603 5.613 -5.057 1.00 0.00 H new ATOM 434 N THR A 95 2.059 8.540 -0.662 1.00 0.00 N ATOM 435 CA THR A 95 1.977 8.475 0.791 1.00 0.00 C ATOM 436 C THR A 95 0.621 7.935 1.208 1.00 0.00 C ATOM 437 O THR A 95 -0.404 8.574 0.984 1.00 0.00 O ATOM 438 CB THR A 95 2.213 9.850 1.426 1.00 0.00 C ATOM 439 OG1 THR A 95 3.586 10.193 1.381 1.00 0.00 O ATOM 440 CG2 THR A 95 1.768 9.926 2.877 1.00 0.00 C ATOM 0 H THR A 95 1.622 9.361 -1.080 1.00 0.00 H new ATOM 0 HA THR A 95 2.760 7.804 1.144 1.00 0.00 H new ATOM 0 HB THR A 95 1.612 10.546 0.841 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.717 11.074 1.789 1.00 0.00 H new ATOM 0 HG21 THR A 95 1.963 10.926 3.266 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.701 9.713 2.942 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.320 9.194 3.466 1.00 0.00 H new ATOM 448 N VAL A 96 0.628 6.757 1.821 1.00 0.00 N ATOM 449 CA VAL A 96 -0.597 6.116 2.283 1.00 0.00 C ATOM 450 C VAL A 96 -1.594 7.153 2.809 1.00 0.00 C ATOM 451 O VAL A 96 -1.195 8.201 3.316 1.00 0.00 O ATOM 452 CB VAL A 96 -0.269 5.083 3.377 1.00 0.00 C ATOM 453 CG1 VAL A 96 -1.534 4.448 3.931 1.00 0.00 C ATOM 454 CG2 VAL A 96 0.684 4.024 2.831 1.00 0.00 C ATOM 0 H VAL A 96 1.476 6.223 2.011 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.058 5.605 1.438 1.00 0.00 H new ATOM 0 HB VAL A 96 0.223 5.599 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.270 3.723 4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.170 5.221 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.070 3.944 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.909 3.299 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.218 3.515 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.607 4.501 2.502 1.00 0.00 H new ATOM 464 N ALA A 97 -2.886 6.880 2.649 1.00 0.00 N ATOM 465 CA ALA A 97 -3.915 7.826 3.072 1.00 0.00 C ATOM 466 C ALA A 97 -4.937 7.213 4.023 1.00 0.00 C ATOM 467 O ALA A 97 -5.090 7.669 5.155 1.00 0.00 O ATOM 468 CB ALA A 97 -4.625 8.391 1.852 1.00 0.00 C ATOM 0 H ALA A 97 -3.243 6.020 2.233 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.408 8.620 3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.392 9.096 2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.903 8.903 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.089 7.579 1.293 1.00 0.00 H new ATOM 474 N ARG A 98 -5.664 6.206 3.553 1.00 0.00 N ATOM 475 CA ARG A 98 -6.693 5.579 4.374 1.00 0.00 C ATOM 476 C ARG A 98 -6.776 4.074 4.143 1.00 0.00 C ATOM 477 O ARG A 98 -6.139 3.529 3.241 1.00 0.00 O ATOM 478 CB ARG A 98 -8.056 6.220 4.091 1.00 0.00 C ATOM 479 CG ARG A 98 -8.254 6.640 2.638 1.00 0.00 C ATOM 480 CD ARG A 98 -9.303 7.734 2.505 1.00 0.00 C ATOM 481 NE ARG A 98 -9.118 8.797 3.491 1.00 0.00 N ATOM 482 CZ ARG A 98 -10.081 9.637 3.866 1.00 0.00 C ATOM 483 NH1 ARG A 98 -11.296 9.547 3.337 1.00 0.00 N ATOM 484 NH2 ARG A 98 -9.828 10.573 4.771 1.00 0.00 N ATOM 0 H ARG A 98 -5.562 5.810 2.619 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.417 5.740 5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.841 5.516 4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.175 7.095 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.307 6.993 2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.554 5.775 2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.258 8.159 1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.296 7.300 2.623 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.197 8.902 3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.496 8.831 2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.029 10.194 3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -8.896 10.649 5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.565 11.217 5.059 1.00 0.00 H new ATOM 498 N ILE A 99 -7.578 3.414 4.974 1.00 0.00 N ATOM 499 CA ILE A 99 -7.774 1.973 4.888 1.00 0.00 C ATOM 500 C ILE A 99 -9.229 1.622 5.200 1.00 0.00 C ATOM 501 O ILE A 99 -9.836 2.201 6.100 1.00 0.00 O ATOM 502 CB ILE A 99 -6.826 1.225 5.860 1.00 0.00 C ATOM 503 CG1 ILE A 99 -5.412 1.161 5.275 1.00 0.00 C ATOM 504 CG2 ILE A 99 -7.334 -0.179 6.167 1.00 0.00 C ATOM 505 CD1 ILE A 99 -4.349 1.708 6.203 1.00 0.00 C ATOM 0 H ILE A 99 -8.107 3.862 5.722 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.539 1.657 3.872 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.801 1.782 6.797 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -5.174 0.125 5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.389 1.720 4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.645 -0.674 6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.320 -0.117 6.627 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.401 -0.752 5.242 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.373 1.631 5.724 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.563 2.754 6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -4.345 1.134 7.130 1.00 0.00 H new ATOM 517 N LEU A 100 -9.786 0.675 4.449 1.00 0.00 N ATOM 518 CA LEU A 100 -11.173 0.255 4.648 1.00 0.00 C ATOM 519 C LEU A 100 -11.454 -0.027 6.122 1.00 0.00 C ATOM 520 O LEU A 100 -10.546 -0.355 6.885 1.00 0.00 O ATOM 521 CB LEU A 100 -11.486 -0.985 3.798 1.00 0.00 C ATOM 522 CG LEU A 100 -10.863 -2.301 4.280 1.00 0.00 C ATOM 523 CD1 LEU A 100 -9.384 -2.115 4.576 1.00 0.00 C ATOM 524 CD2 LEU A 100 -11.595 -2.830 5.505 1.00 0.00 C ATOM 0 H LEU A 100 -9.300 0.184 3.698 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.821 1.071 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.568 -1.111 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.149 -0.798 2.779 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.963 -3.037 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.960 -3.059 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.870 -1.791 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.261 -1.361 5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.135 -3.764 5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.534 -2.098 6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.641 -3.008 5.255 1.00 0.00 H new ATOM 585 N ILE A 105 -5.550 -4.130 7.187 1.00 0.00 N ATOM 586 CA ILE A 105 -4.363 -3.288 7.099 1.00 0.00 C ATOM 587 C ILE A 105 -4.183 -2.467 8.370 1.00 0.00 C ATOM 588 O ILE A 105 -3.080 -2.369 8.908 1.00 0.00 O ATOM 589 CB ILE A 105 -4.431 -2.335 5.890 1.00 0.00 C ATOM 590 CG1 ILE A 105 -4.966 -3.067 4.658 1.00 0.00 C ATOM 591 CG2 ILE A 105 -3.059 -1.745 5.604 1.00 0.00 C ATOM 592 CD1 ILE A 105 -4.160 -4.290 4.286 1.00 0.00 C ATOM 0 HA ILE A 105 -3.511 -3.956 6.972 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.116 -1.521 6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.998 -3.364 4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.978 -2.379 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.123 -1.074 4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.713 -1.189 6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.356 -2.548 5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.596 -4.759 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.133 -3.997 4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.169 -4.998 5.115 1.00 0.00 H new ATOM 604 N HIS A 106 -5.276 -1.882 8.849 1.00 0.00 N ATOM 605 CA HIS A 106 -5.241 -1.073 10.060 1.00 0.00 C ATOM 606 C HIS A 106 -5.084 -1.956 11.294 1.00 0.00 C ATOM 607 O HIS A 106 -4.490 -1.548 12.292 1.00 0.00 O ATOM 608 CB HIS A 106 -6.517 -0.237 10.177 1.00 0.00 C ATOM 609 CG HIS A 106 -6.300 1.102 10.813 1.00 0.00 C ATOM 610 ND1 HIS A 106 -5.788 1.258 12.084 1.00 0.00 N ATOM 611 CD2 HIS A 106 -6.530 2.352 10.346 1.00 0.00 C ATOM 612 CE1 HIS A 106 -5.714 2.545 12.372 1.00 0.00 C ATOM 613 NE2 HIS A 106 -6.157 3.230 11.335 1.00 0.00 N ATOM 0 H HIS A 106 -6.197 -1.954 8.416 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.382 -0.405 9.998 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -6.940 -0.093 9.183 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -7.253 -0.792 10.759 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -5.510 0.498 12.705 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -6.932 2.611 9.377 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.352 2.965 13.299 1.00 0.00 H new ATOM 622 N ARG A 107 -5.618 -3.171 11.214 1.00 0.00 N ATOM 623 CA ARG A 107 -5.540 -4.118 12.321 1.00 0.00 C ATOM 624 C ARG A 107 -4.248 -4.932 12.259 1.00 0.00 C ATOM 625 O ARG A 107 -3.845 -5.546 13.248 1.00 0.00 O ATOM 626 CB ARG A 107 -6.747 -5.056 12.301 1.00 0.00 C ATOM 627 CG ARG A 107 -6.954 -5.807 13.605 1.00 0.00 C ATOM 628 CD ARG A 107 -8.354 -6.392 13.696 1.00 0.00 C ATOM 629 NE ARG A 107 -8.386 -7.612 14.499 1.00 0.00 N ATOM 630 CZ ARG A 107 -9.495 -8.115 15.039 1.00 0.00 C ATOM 631 NH1 ARG A 107 -10.663 -7.507 14.863 1.00 0.00 N ATOM 632 NH2 ARG A 107 -9.436 -9.228 15.757 1.00 0.00 N ATOM 0 H ARG A 107 -6.110 -3.523 10.393 1.00 0.00 H new ATOM 0 HA ARG A 107 -5.543 -3.549 13.251 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.643 -4.477 12.079 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.624 -5.776 11.492 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.218 -6.607 13.686 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.785 -5.133 14.445 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.028 -5.654 14.131 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.723 -6.608 12.693 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.508 -8.107 14.655 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.714 -6.650 14.312 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.509 -7.897 15.279 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.542 -9.699 15.896 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.285 -9.614 16.171 1.00 0.00 H new ATOM 646 N GLN A 108 -3.603 -4.938 11.093 1.00 0.00 N ATOM 647 CA GLN A 108 -2.359 -5.681 10.905 1.00 0.00 C ATOM 648 C GLN A 108 -1.383 -5.421 12.051 1.00 0.00 C ATOM 649 O GLN A 108 -0.694 -6.332 12.510 1.00 0.00 O ATOM 650 CB GLN A 108 -1.713 -5.300 9.570 1.00 0.00 C ATOM 651 CG GLN A 108 -1.851 -6.372 8.500 1.00 0.00 C ATOM 652 CD GLN A 108 -0.519 -6.762 7.890 1.00 0.00 C ATOM 653 OE1 GLN A 108 0.474 -6.937 8.596 1.00 0.00 O ATOM 654 NE2 GLN A 108 -0.491 -6.901 6.569 1.00 0.00 N ATOM 0 H GLN A 108 -3.922 -4.436 10.264 1.00 0.00 H new ATOM 0 HA GLN A 108 -2.599 -6.744 10.897 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -2.164 -4.376 9.208 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.655 -5.095 9.733 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -2.320 -7.255 8.934 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -2.515 -6.012 7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.338 -6.746 6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.377 -7.162 6.102 1.00 0.00 H new ATOM 663 N GLY A 109 -1.330 -4.174 12.507 1.00 0.00 N ATOM 664 CA GLY A 109 -0.437 -3.819 13.594 1.00 0.00 C ATOM 665 C GLY A 109 0.882 -3.254 13.101 1.00 0.00 C ATOM 666 O GLY A 109 1.457 -2.367 13.729 1.00 0.00 O ATOM 0 H GLY A 109 -1.890 -3.403 12.143 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.925 -3.086 14.236 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.245 -4.701 14.205 1.00 0.00 H new ATOM 670 N SER A 110 1.359 -3.771 11.973 1.00 0.00 N ATOM 671 CA SER A 110 2.618 -3.312 11.396 1.00 0.00 C ATOM 672 C SER A 110 2.366 -2.329 10.256 1.00 0.00 C ATOM 673 O SER A 110 2.993 -2.413 9.200 1.00 0.00 O ATOM 674 CB SER A 110 3.433 -4.503 10.888 1.00 0.00 C ATOM 675 OG SER A 110 3.345 -5.599 11.781 1.00 0.00 O ATOM 0 H SER A 110 0.894 -4.507 11.441 1.00 0.00 H new ATOM 0 HA SER A 110 3.183 -2.800 12.175 1.00 0.00 H new ATOM 0 HB2 SER A 110 3.072 -4.802 9.904 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.476 -4.210 10.769 1.00 0.00 H new ATOM 0 HG SER A 110 3.873 -6.348 11.433 1.00 0.00 H new ATOM 681 N LEU A 111 1.445 -1.398 10.478 1.00 0.00 N ATOM 682 CA LEU A 111 1.112 -0.399 9.469 1.00 0.00 C ATOM 683 C LEU A 111 0.944 0.978 10.102 1.00 0.00 C ATOM 684 O LEU A 111 0.587 1.095 11.274 1.00 0.00 O ATOM 685 CB LEU A 111 -0.170 -0.797 8.732 1.00 0.00 C ATOM 686 CG LEU A 111 -0.103 -0.689 7.208 1.00 0.00 C ATOM 687 CD1 LEU A 111 -0.066 0.769 6.777 1.00 0.00 C ATOM 688 CD2 LEU A 111 1.110 -1.436 6.673 1.00 0.00 C ATOM 0 H LEU A 111 0.916 -1.314 11.346 1.00 0.00 H new ATOM 0 HA LEU A 111 1.933 -0.351 8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.419 -1.825 8.997 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.986 -0.169 9.090 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.000 -1.147 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.018 0.826 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.965 1.275 7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.812 1.253 7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.141 -1.348 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.018 -1.008 7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.041 -2.488 6.950 1.00 0.00 H new ATOM 700 N HIS A 112 1.205 2.018 9.318 1.00 0.00 N ATOM 701 CA HIS A 112 1.082 3.387 9.803 1.00 0.00 C ATOM 702 C HIS A 112 0.781 4.347 8.658 1.00 0.00 C ATOM 703 O HIS A 112 1.680 4.761 7.926 1.00 0.00 O ATOM 704 CB HIS A 112 2.362 3.811 10.524 1.00 0.00 C ATOM 705 CG HIS A 112 2.546 3.142 11.849 1.00 0.00 C ATOM 706 ND1 HIS A 112 3.236 1.958 12.005 1.00 0.00 N ATOM 707 CD2 HIS A 112 2.124 3.495 13.087 1.00 0.00 C ATOM 708 CE1 HIS A 112 3.230 1.612 13.280 1.00 0.00 C ATOM 709 NE2 HIS A 112 2.563 2.528 13.956 1.00 0.00 N ATOM 0 H HIS A 112 1.503 1.939 8.346 1.00 0.00 H new ATOM 0 HA HIS A 112 0.250 3.424 10.507 1.00 0.00 H new ATOM 0 HB2 HIS A 112 3.219 3.586 9.889 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.348 4.891 10.669 1.00 0.00 H new ATOM 0 HD2 HIS A 112 1.550 4.373 13.342 1.00 0.00 H new ATOM 0 HE1 HIS A 112 3.692 0.730 13.698 1.00 0.00 H new ATOM 0 HE2 HIS A 112 2.400 2.519 14.963 1.00 0.00 H new ATOM 718 N VAL A 113 -0.493 4.696 8.513 1.00 0.00 N ATOM 719 CA VAL A 113 -0.928 5.609 7.461 1.00 0.00 C ATOM 720 C VAL A 113 -0.160 6.921 7.521 1.00 0.00 C ATOM 721 O VAL A 113 0.195 7.399 8.599 1.00 0.00 O ATOM 722 CB VAL A 113 -2.437 5.899 7.561 1.00 0.00 C ATOM 723 CG1 VAL A 113 -2.927 6.628 6.319 1.00 0.00 C ATOM 724 CG2 VAL A 113 -3.220 4.609 7.779 1.00 0.00 C ATOM 0 H VAL A 113 -1.246 4.359 9.113 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.724 5.119 6.509 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.605 6.546 8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.995 6.823 6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.393 7.573 6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.744 6.011 5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.284 4.836 7.847 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.046 3.932 6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.890 4.135 8.704 1.00 0.00 H new ATOM 734 N GLY A 114 0.103 7.489 6.354 1.00 0.00 N ATOM 735 CA GLY A 114 0.842 8.732 6.284 1.00 0.00 C ATOM 736 C GLY A 114 2.299 8.509 5.932 1.00 0.00 C ATOM 737 O GLY A 114 3.037 9.460 5.676 1.00 0.00 O ATOM 0 H GLY A 114 -0.183 7.110 5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.385 9.384 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.776 9.247 7.242 1.00 0.00 H new ATOM 741 N ASP A 115 2.713 7.243 5.912 1.00 0.00 N ATOM 742 CA ASP A 115 4.087 6.893 5.580 1.00 0.00 C ATOM 743 C ASP A 115 4.299 6.960 4.072 1.00 0.00 C ATOM 744 O ASP A 115 3.438 7.449 3.341 1.00 0.00 O ATOM 745 CB ASP A 115 4.415 5.492 6.100 1.00 0.00 C ATOM 746 CG ASP A 115 4.961 5.513 7.514 1.00 0.00 C ATOM 747 OD1 ASP A 115 5.971 6.208 7.750 1.00 0.00 O ATOM 748 OD2 ASP A 115 4.377 4.834 8.386 1.00 0.00 O ATOM 0 H ASP A 115 2.114 6.445 6.122 1.00 0.00 H new ATOM 0 HA ASP A 115 4.756 7.609 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.516 4.877 6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.144 5.024 5.439 1.00 0.00 H new ATOM 753 N GLU A 116 5.442 6.470 3.608 1.00 0.00 N ATOM 754 CA GLU A 116 5.743 6.485 2.183 1.00 0.00 C ATOM 755 C GLU A 116 5.974 5.072 1.656 1.00 0.00 C ATOM 756 O GLU A 116 6.512 4.215 2.359 1.00 0.00 O ATOM 757 CB GLU A 116 6.963 7.369 1.902 1.00 0.00 C ATOM 758 CG GLU A 116 8.297 6.693 2.180 1.00 0.00 C ATOM 759 CD GLU A 116 9.189 7.510 3.094 1.00 0.00 C ATOM 760 OE1 GLU A 116 8.743 7.848 4.212 1.00 0.00 O ATOM 761 OE2 GLU A 116 10.332 7.815 2.693 1.00 0.00 O ATOM 0 H GLU A 116 6.170 6.060 4.193 1.00 0.00 H new ATOM 0 HA GLU A 116 4.882 6.903 1.661 1.00 0.00 H new ATOM 0 HB2 GLU A 116 6.938 7.684 0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.892 8.272 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.118 5.717 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.814 6.518 1.237 1.00 0.00 H new ATOM 768 N ILE A 117 5.567 4.845 0.416 1.00 0.00 N ATOM 769 CA ILE A 117 5.724 3.548 -0.228 1.00 0.00 C ATOM 770 C ILE A 117 6.718 3.650 -1.385 1.00 0.00 C ATOM 771 O ILE A 117 6.555 4.475 -2.284 1.00 0.00 O ATOM 772 CB ILE A 117 4.364 3.020 -0.738 1.00 0.00 C ATOM 773 CG1 ILE A 117 3.403 2.823 0.435 1.00 0.00 C ATOM 774 CG2 ILE A 117 4.540 1.717 -1.511 1.00 0.00 C ATOM 775 CD1 ILE A 117 1.973 2.569 0.008 1.00 0.00 C ATOM 0 H ILE A 117 5.121 5.550 -0.170 1.00 0.00 H new ATOM 0 HA ILE A 117 6.110 2.844 0.509 1.00 0.00 H new ATOM 0 HB ILE A 117 3.941 3.759 -1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.748 1.984 1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.432 3.708 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.568 1.366 -1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 117 5.192 1.887 -2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.985 0.965 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.347 2.439 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 117 1.610 3.418 -0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 117 1.930 1.667 -0.603 1.00 0.00 H new ATOM 787 N LEU A 118 7.761 2.825 -1.343 1.00 0.00 N ATOM 788 CA LEU A 118 8.793 2.846 -2.377 1.00 0.00 C ATOM 789 C LEU A 118 8.514 1.843 -3.489 1.00 0.00 C ATOM 790 O LEU A 118 8.798 2.107 -4.656 1.00 0.00 O ATOM 791 CB LEU A 118 10.159 2.558 -1.762 1.00 0.00 C ATOM 792 CG LEU A 118 10.231 1.299 -0.892 1.00 0.00 C ATOM 793 CD1 LEU A 118 11.360 0.391 -1.359 1.00 0.00 C ATOM 794 CD2 LEU A 118 10.417 1.674 0.573 1.00 0.00 C ATOM 0 H LEU A 118 7.914 2.136 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 118 8.786 3.843 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 118 10.890 2.467 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 118 10.455 3.415 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 118 9.291 0.756 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.396 -0.498 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.185 0.096 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.308 0.924 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.466 0.768 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 118 11.342 2.238 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 118 9.576 2.284 0.902 1.00 0.00 H new ATOM 806 N GLU A 119 7.963 0.694 -3.131 1.00 0.00 N ATOM 807 CA GLU A 119 7.656 -0.334 -4.113 1.00 0.00 C ATOM 808 C GLU A 119 6.741 -1.392 -3.531 1.00 0.00 C ATOM 809 O GLU A 119 6.963 -1.895 -2.430 1.00 0.00 O ATOM 810 CB GLU A 119 8.932 -0.988 -4.631 1.00 0.00 C ATOM 811 CG GLU A 119 9.738 -1.689 -3.552 1.00 0.00 C ATOM 812 CD GLU A 119 11.205 -1.819 -3.910 1.00 0.00 C ATOM 813 OE1 GLU A 119 11.509 -2.035 -5.102 1.00 0.00 O ATOM 814 OE2 GLU A 119 12.051 -1.708 -2.997 1.00 0.00 O ATOM 0 H GLU A 119 7.720 0.450 -2.171 1.00 0.00 H new ATOM 0 HA GLU A 119 7.143 0.151 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.672 -1.710 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.555 -0.227 -5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.644 -1.137 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.321 -2.681 -3.379 1.00 0.00 H new ATOM 821 N ILE A 120 5.718 -1.727 -4.292 1.00 0.00 N ATOM 822 CA ILE A 120 4.755 -2.739 -3.876 1.00 0.00 C ATOM 823 C ILE A 120 4.853 -3.972 -4.757 1.00 0.00 C ATOM 824 O ILE A 120 5.086 -3.882 -5.962 1.00 0.00 O ATOM 825 CB ILE A 120 3.298 -2.206 -3.853 1.00 0.00 C ATOM 826 CG1 ILE A 120 2.501 -2.620 -5.099 1.00 0.00 C ATOM 827 CG2 ILE A 120 3.297 -0.700 -3.699 1.00 0.00 C ATOM 828 CD1 ILE A 120 3.079 -2.103 -6.395 1.00 0.00 C ATOM 0 H ILE A 120 5.528 -1.314 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 120 5.012 -3.011 -2.852 1.00 0.00 H new ATOM 0 HB ILE A 120 2.801 -2.658 -2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 120 2.453 -3.708 -5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 120 1.477 -2.259 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.270 -0.336 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 120 3.791 -0.429 -2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 120 3.830 -0.248 -4.536 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.461 -2.437 -7.228 1.00 0.00 H new ATOM 0 HD12 ILE A 120 3.102 -1.013 -6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 120 4.092 -2.485 -6.519 1.00 0.00 H new ATOM 840 N ASN A 121 4.681 -5.121 -4.133 1.00 0.00 N ATOM 841 CA ASN A 121 4.752 -6.404 -4.830 1.00 0.00 C ATOM 842 C ASN A 121 5.938 -6.452 -5.797 1.00 0.00 C ATOM 843 O ASN A 121 5.893 -7.150 -6.810 1.00 0.00 O ATOM 844 CB ASN A 121 3.455 -6.668 -5.594 1.00 0.00 C ATOM 845 CG ASN A 121 3.116 -8.144 -5.652 1.00 0.00 C ATOM 846 OD1 ASN A 121 2.596 -8.587 -6.788 1.00 0.00 O flip ATOM 847 ND2 ASN A 121 3.320 -8.878 -4.684 1.00 0.00 N flip ATOM 0 H ASN A 121 4.489 -5.199 -3.134 1.00 0.00 H new ATOM 0 HA ASN A 121 4.893 -7.179 -4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 121 2.638 -6.128 -5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 121 3.546 -6.278 -6.608 1.00 0.00 H new ATOM 0 HD21 ASN A 121 3.722 -8.494 -3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 121 3.087 -9.870 -4.738 1.00 0.00 H new ATOM 854 N GLY A 122 6.996 -5.709 -5.479 1.00 0.00 N ATOM 855 CA GLY A 122 8.171 -5.689 -6.333 1.00 0.00 C ATOM 856 C GLY A 122 8.008 -4.772 -7.532 1.00 0.00 C ATOM 857 O GLY A 122 8.596 -5.012 -8.587 1.00 0.00 O ATOM 0 H GLY A 122 7.060 -5.122 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 122 9.034 -5.368 -5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 122 8.380 -6.701 -6.680 1.00 0.00 H new ATOM 861 N THR A 123 7.207 -3.724 -7.373 1.00 0.00 N ATOM 862 CA THR A 123 6.965 -2.770 -8.453 1.00 0.00 C ATOM 863 C THR A 123 7.339 -1.354 -8.027 1.00 0.00 C ATOM 864 O THR A 123 7.071 -0.942 -6.898 1.00 0.00 O ATOM 865 CB THR A 123 5.493 -2.815 -8.878 1.00 0.00 C ATOM 866 OG1 THR A 123 5.168 -4.080 -9.427 1.00 0.00 O ATOM 867 CG2 THR A 123 5.121 -1.762 -9.904 1.00 0.00 C ATOM 0 H THR A 123 6.713 -3.512 -6.506 1.00 0.00 H new ATOM 0 HA THR A 123 7.592 -3.051 -9.299 1.00 0.00 H new ATOM 0 HB THR A 123 4.930 -2.619 -7.966 1.00 0.00 H new ATOM 0 HG1 THR A 123 4.224 -4.089 -9.691 1.00 0.00 H new ATOM 0 HG21 THR A 123 4.065 -1.856 -10.156 1.00 0.00 H new ATOM 0 HG22 THR A 123 5.309 -0.770 -9.492 1.00 0.00 H new ATOM 0 HG23 THR A 123 5.722 -1.901 -10.803 1.00 0.00 H new ATOM 875 N ASN A 124 7.953 -0.608 -8.941 1.00 0.00 N ATOM 876 CA ASN A 124 8.354 0.764 -8.662 1.00 0.00 C ATOM 877 C ASN A 124 7.126 1.653 -8.498 1.00 0.00 C ATOM 878 O ASN A 124 6.669 2.282 -9.451 1.00 0.00 O ATOM 879 CB ASN A 124 9.243 1.299 -9.786 1.00 0.00 C ATOM 880 CG ASN A 124 10.719 1.168 -9.466 1.00 0.00 C ATOM 881 OD1 ASN A 124 11.452 0.450 -10.146 1.00 0.00 O ATOM 882 ND2 ASN A 124 11.163 1.864 -8.426 1.00 0.00 N ATOM 0 H ASN A 124 8.183 -0.932 -9.880 1.00 0.00 H new ATOM 0 HA ASN A 124 8.922 0.775 -7.732 1.00 0.00 H new ATOM 0 HB2 ASN A 124 9.024 0.759 -10.707 1.00 0.00 H new ATOM 0 HB3 ASN A 124 9.005 2.347 -9.967 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.147 1.816 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.520 2.447 -7.890 1.00 0.00 H new ATOM 889 N VAL A 125 6.595 1.694 -7.282 1.00 0.00 N ATOM 890 CA VAL A 125 5.416 2.497 -6.985 1.00 0.00 C ATOM 891 C VAL A 125 5.781 3.961 -6.749 1.00 0.00 C ATOM 892 O VAL A 125 4.910 4.801 -6.526 1.00 0.00 O ATOM 893 CB VAL A 125 4.672 1.941 -5.760 1.00 0.00 C ATOM 894 CG1 VAL A 125 5.590 1.925 -4.560 1.00 0.00 C ATOM 895 CG2 VAL A 125 3.412 2.740 -5.467 1.00 0.00 C ATOM 0 H VAL A 125 6.964 1.178 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 125 4.760 2.444 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 125 4.365 0.919 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.054 1.530 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.454 1.294 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.925 2.940 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.910 2.321 -4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 125 3.678 3.778 -5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.744 2.695 -6.327 1.00 0.00 H new ATOM 905 N THR A 126 7.072 4.263 -6.811 1.00 0.00 N ATOM 906 CA THR A 126 7.543 5.626 -6.614 1.00 0.00 C ATOM 907 C THR A 126 7.971 6.252 -7.940 1.00 0.00 C ATOM 908 O THR A 126 8.790 7.170 -7.972 1.00 0.00 O ATOM 909 CB THR A 126 8.699 5.654 -5.618 1.00 0.00 C ATOM 910 OG1 THR A 126 9.333 6.921 -5.610 1.00 0.00 O ATOM 911 CG2 THR A 126 9.747 4.618 -5.914 1.00 0.00 C ATOM 0 H THR A 126 7.809 3.583 -6.996 1.00 0.00 H new ATOM 0 HA THR A 126 6.719 6.213 -6.209 1.00 0.00 H new ATOM 0 HB THR A 126 8.253 5.439 -4.647 1.00 0.00 H new ATOM 0 HG1 THR A 126 9.708 7.105 -6.497 1.00 0.00 H new ATOM 0 HG21 THR A 126 10.544 4.685 -5.174 1.00 0.00 H new ATOM 0 HG22 THR A 126 9.298 3.625 -5.876 1.00 0.00 H new ATOM 0 HG23 THR A 126 10.160 4.791 -6.908 1.00 0.00 H new ATOM 919 N ASN A 127 7.405 5.749 -9.036 1.00 0.00 N ATOM 920 CA ASN A 127 7.724 6.258 -10.365 1.00 0.00 C ATOM 921 C ASN A 127 6.455 6.455 -11.189 1.00 0.00 C ATOM 922 O ASN A 127 6.224 7.529 -11.744 1.00 0.00 O ATOM 923 CB ASN A 127 8.673 5.300 -11.087 1.00 0.00 C ATOM 924 CG ASN A 127 10.131 5.605 -10.801 1.00 0.00 C ATOM 925 OD1 ASN A 127 10.624 6.688 -11.117 1.00 0.00 O ATOM 926 ND2 ASN A 127 10.828 4.649 -10.199 1.00 0.00 N ATOM 0 H ASN A 127 6.724 4.990 -9.028 1.00 0.00 H new ATOM 0 HA ASN A 127 8.215 7.224 -10.250 1.00 0.00 H new ATOM 0 HB2 ASN A 127 8.452 4.277 -10.783 1.00 0.00 H new ATOM 0 HB3 ASN A 127 8.496 5.359 -12.161 1.00 0.00 H new ATOM 0 HD21 ASN A 127 11.813 4.797 -9.980 1.00 0.00 H new ATOM 0 HD22 ASN A 127 10.378 3.767 -9.955 1.00 0.00 H new ATOM 933 N HIS A 128 5.631 5.413 -11.258 1.00 0.00 N ATOM 934 CA HIS A 128 4.380 5.476 -12.010 1.00 0.00 C ATOM 935 C HIS A 128 3.281 6.103 -11.163 1.00 0.00 C ATOM 936 O HIS A 128 3.386 6.157 -9.939 1.00 0.00 O ATOM 937 CB HIS A 128 3.937 4.078 -12.461 1.00 0.00 C ATOM 938 CG HIS A 128 5.049 3.078 -12.556 1.00 0.00 C ATOM 939 ND1 HIS A 128 5.334 1.996 -11.793 1.00 0.00 N flip ATOM 940 CD2 HIS A 128 6.024 3.125 -13.531 1.00 0.00 C flip ATOM 941 CE1 HIS A 128 6.464 1.416 -12.316 1.00 0.00 C flip ATOM 942 NE2 HIS A 128 6.860 2.116 -13.364 1.00 0.00 N flip ATOM 0 H HIS A 128 5.806 4.517 -10.804 1.00 0.00 H new ATOM 0 HA HIS A 128 4.555 6.092 -12.892 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.187 3.705 -11.763 1.00 0.00 H new ATOM 0 HB3 HIS A 128 3.454 4.160 -13.435 1.00 0.00 H new ATOM 0 HD2 HIS A 128 6.093 3.870 -14.309 1.00 0.00 H new ATOM 0 HE1 HIS A 128 6.950 0.531 -11.933 1.00 0.00 H new ATOM 0 HE2 HIS A 128 7.673 1.912 -13.945 1.00 0.00 H new ATOM 951 N SER A 129 2.219 6.565 -11.817 1.00 0.00 N ATOM 952 CA SER A 129 1.101 7.170 -11.104 1.00 0.00 C ATOM 953 C SER A 129 0.515 6.182 -10.115 1.00 0.00 C ATOM 954 O SER A 129 0.480 4.980 -10.378 1.00 0.00 O ATOM 955 CB SER A 129 0.009 7.609 -12.069 1.00 0.00 C ATOM 956 OG SER A 129 0.548 8.304 -13.180 1.00 0.00 O ATOM 0 H SER A 129 2.110 6.532 -12.831 1.00 0.00 H new ATOM 0 HA SER A 129 1.480 8.045 -10.575 1.00 0.00 H new ATOM 0 HB2 SER A 129 -0.543 6.736 -12.417 1.00 0.00 H new ATOM 0 HB3 SER A 129 -0.703 8.249 -11.548 1.00 0.00 H new ATOM 0 HG SER A 129 -0.178 8.571 -13.782 1.00 0.00 H new ATOM 962 N VAL A 130 0.055 6.683 -8.982 1.00 0.00 N ATOM 963 CA VAL A 130 -0.521 5.820 -7.969 1.00 0.00 C ATOM 964 C VAL A 130 -1.711 5.044 -8.512 1.00 0.00 C ATOM 965 O VAL A 130 -1.982 3.929 -8.079 1.00 0.00 O ATOM 966 CB VAL A 130 -0.940 6.612 -6.721 1.00 0.00 C ATOM 967 CG1 VAL A 130 -2.005 7.642 -7.064 1.00 0.00 C ATOM 968 CG2 VAL A 130 -1.422 5.676 -5.622 1.00 0.00 C ATOM 0 H VAL A 130 0.069 7.674 -8.743 1.00 0.00 H new ATOM 0 HA VAL A 130 0.256 5.111 -7.682 1.00 0.00 H new ATOM 0 HB VAL A 130 -0.065 7.145 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -2.285 8.190 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.612 8.338 -7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -2.882 7.137 -7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -1.713 6.260 -4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -2.279 5.106 -5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -0.619 4.991 -5.349 1.00 0.00 H new ATOM 978 N ASP A 131 -2.409 5.628 -9.473 1.00 0.00 N ATOM 979 CA ASP A 131 -3.555 4.963 -10.080 1.00 0.00 C ATOM 980 C ASP A 131 -3.101 3.688 -10.781 1.00 0.00 C ATOM 981 O ASP A 131 -3.807 2.679 -10.787 1.00 0.00 O ATOM 982 CB ASP A 131 -4.252 5.893 -11.074 1.00 0.00 C ATOM 983 CG ASP A 131 -4.702 7.191 -10.433 1.00 0.00 C ATOM 984 OD1 ASP A 131 -5.339 7.134 -9.361 1.00 0.00 O ATOM 985 OD2 ASP A 131 -4.416 8.265 -11.003 1.00 0.00 O ATOM 0 H ASP A 131 -2.206 6.554 -9.849 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.266 4.705 -9.295 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.573 6.114 -11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -5.116 5.383 -11.500 1.00 0.00 H new ATOM 990 N GLN A 132 -1.904 3.742 -11.357 1.00 0.00 N ATOM 991 CA GLN A 132 -1.334 2.596 -12.050 1.00 0.00 C ATOM 992 C GLN A 132 -0.976 1.496 -11.062 1.00 0.00 C ATOM 993 O GLN A 132 -1.241 0.320 -11.305 1.00 0.00 O ATOM 994 CB GLN A 132 -0.082 3.011 -12.827 1.00 0.00 C ATOM 995 CG GLN A 132 -0.361 4.003 -13.945 1.00 0.00 C ATOM 996 CD GLN A 132 -0.183 3.396 -15.323 1.00 0.00 C ATOM 997 OE1 GLN A 132 0.595 3.892 -16.137 1.00 0.00 O ATOM 998 NE2 GLN A 132 -0.908 2.315 -15.591 1.00 0.00 N ATOM 0 H GLN A 132 -1.310 4.571 -11.356 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.081 2.217 -12.748 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.637 3.449 -12.135 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.385 2.121 -13.250 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.380 4.378 -13.846 1.00 0.00 H new ATOM 0 HG3 GLN A 132 0.306 4.859 -13.841 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -1.541 1.938 -14.886 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -0.832 1.863 -16.502 1.00 0.00 H new ATOM 1007 N LEU A 133 -0.368 1.889 -9.948 1.00 0.00 N ATOM 1008 CA LEU A 133 0.034 0.936 -8.921 1.00 0.00 C ATOM 1009 C LEU A 133 -1.176 0.368 -8.196 1.00 0.00 C ATOM 1010 O LEU A 133 -1.279 -0.841 -8.005 1.00 0.00 O ATOM 1011 CB LEU A 133 0.970 1.591 -7.918 1.00 0.00 C ATOM 1012 CG LEU A 133 2.330 1.998 -8.467 1.00 0.00 C ATOM 1013 CD1 LEU A 133 2.951 0.874 -9.280 1.00 0.00 C ATOM 1014 CD2 LEU A 133 2.187 3.252 -9.295 1.00 0.00 C ATOM 0 H LEU A 133 -0.143 2.860 -9.734 1.00 0.00 H new ATOM 0 HA LEU A 133 0.558 0.119 -9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.480 2.477 -7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 133 1.123 0.903 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 133 3.000 2.202 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.922 1.193 -9.660 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.079 -0.004 -8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.298 0.626 -10.117 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.162 3.542 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.503 3.065 -10.123 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.792 4.056 -8.673 1.00 0.00 H new ATOM 1026 N GLN A 134 -2.102 1.244 -7.806 1.00 0.00 N ATOM 1027 CA GLN A 134 -3.314 0.814 -7.118 1.00 0.00 C ATOM 1028 C GLN A 134 -3.925 -0.356 -7.873 1.00 0.00 C ATOM 1029 O GLN A 134 -4.179 -1.422 -7.305 1.00 0.00 O ATOM 1030 CB GLN A 134 -4.315 1.968 -7.014 1.00 0.00 C ATOM 1031 CG GLN A 134 -4.172 2.789 -5.739 1.00 0.00 C ATOM 1032 CD GLN A 134 -4.231 1.935 -4.488 1.00 0.00 C ATOM 1033 OE1 GLN A 134 -3.116 1.858 -3.771 1.00 0.00 O flip ATOM 1034 NE2 GLN A 134 -5.266 1.350 -4.170 1.00 0.00 N flip ATOM 0 H GLN A 134 -2.035 2.251 -7.955 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.061 0.500 -6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.189 2.625 -7.875 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -5.327 1.566 -7.065 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -3.225 3.328 -5.762 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -4.964 3.537 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -6.100 1.437 -4.751 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.290 0.778 -3.326 1.00 0.00 H new ATOM 1043 N LYS A 135 -4.109 -0.166 -9.175 1.00 0.00 N ATOM 1044 CA LYS A 135 -4.634 -1.223 -10.016 1.00 0.00 C ATOM 1045 C LYS A 135 -3.582 -2.322 -10.140 1.00 0.00 C ATOM 1046 O LYS A 135 -3.909 -3.506 -10.227 1.00 0.00 O ATOM 1047 CB LYS A 135 -5.013 -0.679 -11.394 1.00 0.00 C ATOM 1048 CG LYS A 135 -5.433 -1.758 -12.375 1.00 0.00 C ATOM 1049 CD LYS A 135 -4.288 -2.140 -13.295 1.00 0.00 C ATOM 1050 CE LYS A 135 -4.774 -2.401 -14.711 1.00 0.00 C ATOM 1051 NZ LYS A 135 -3.923 -3.399 -15.417 1.00 0.00 N ATOM 0 H LYS A 135 -3.903 0.705 -9.664 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.537 -1.633 -9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -5.828 0.037 -11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.164 -0.134 -11.807 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -5.773 -2.638 -11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -6.277 -1.406 -12.968 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -3.546 -1.341 -13.305 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -3.792 -3.031 -12.910 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -5.803 -2.758 -14.681 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -4.777 -1.466 -15.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -4.289 -3.548 -16.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -2.946 -3.047 -15.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -3.940 -4.299 -14.897 1.00 0.00 H new ATOM 1065 N ALA A 136 -2.309 -1.915 -10.118 1.00 0.00 N ATOM 1066 CA ALA A 136 -1.200 -2.858 -10.196 1.00 0.00 C ATOM 1067 C ALA A 136 -1.253 -3.825 -9.022 1.00 0.00 C ATOM 1068 O ALA A 136 -0.845 -4.981 -9.131 1.00 0.00 O ATOM 1069 CB ALA A 136 0.128 -2.118 -10.207 1.00 0.00 C ATOM 0 H ALA A 136 -2.026 -0.938 -10.047 1.00 0.00 H new ATOM 0 HA ALA A 136 -1.288 -3.423 -11.124 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.945 -2.837 -10.266 1.00 0.00 H new ATOM 0 HB2 ALA A 136 0.167 -1.453 -11.070 1.00 0.00 H new ATOM 0 HB3 ALA A 136 0.225 -1.532 -9.293 1.00 0.00 H new ATOM 1075 N MET A 137 -1.784 -3.344 -7.904 1.00 0.00 N ATOM 1076 CA MET A 137 -1.925 -4.163 -6.713 1.00 0.00 C ATOM 1077 C MET A 137 -3.019 -5.187 -6.957 1.00 0.00 C ATOM 1078 O MET A 137 -2.844 -6.380 -6.711 1.00 0.00 O ATOM 1079 CB MET A 137 -2.266 -3.298 -5.497 1.00 0.00 C ATOM 1080 CG MET A 137 -1.191 -2.277 -5.158 1.00 0.00 C ATOM 1081 SD MET A 137 -1.824 -0.903 -4.176 1.00 0.00 S ATOM 1082 CE MET A 137 -0.327 0.047 -3.920 1.00 0.00 C ATOM 0 H MET A 137 -2.124 -2.388 -7.801 1.00 0.00 H new ATOM 0 HA MET A 137 -0.982 -4.669 -6.505 1.00 0.00 H new ATOM 0 HB2 MET A 137 -3.205 -2.777 -5.684 1.00 0.00 H new ATOM 0 HB3 MET A 137 -2.426 -3.945 -4.634 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.387 -2.769 -4.611 1.00 0.00 H new ATOM 0 HG3 MET A 137 -0.759 -1.890 -6.081 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.048 0.009 -2.867 1.00 0.00 H new ATOM 0 HE2 MET A 137 0.478 -0.372 -4.524 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.499 1.083 -4.213 1.00 0.00 H new ATOM 1092 N LYS A 138 -4.141 -4.706 -7.485 1.00 0.00 N ATOM 1093 CA LYS A 138 -5.261 -5.574 -7.815 1.00 0.00 C ATOM 1094 C LYS A 138 -4.847 -6.534 -8.926 1.00 0.00 C ATOM 1095 O LYS A 138 -5.380 -7.637 -9.048 1.00 0.00 O ATOM 1096 CB LYS A 138 -6.466 -4.745 -8.263 1.00 0.00 C ATOM 1097 CG LYS A 138 -6.925 -3.730 -7.229 1.00 0.00 C ATOM 1098 CD LYS A 138 -8.218 -3.053 -7.653 1.00 0.00 C ATOM 1099 CE LYS A 138 -9.068 -2.671 -6.450 1.00 0.00 C ATOM 1100 NZ LYS A 138 -10.160 -3.653 -6.209 1.00 0.00 N ATOM 0 H LYS A 138 -4.296 -3.719 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 138 -5.544 -6.142 -6.929 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.214 -4.222 -9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.293 -5.417 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -7.070 -4.226 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -6.149 -2.978 -7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -7.989 -2.161 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.784 -3.721 -8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.436 -2.606 -5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.497 -1.682 -6.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.716 -3.357 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -10.778 -3.697 -7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -9.750 -4.592 -6.033 1.00 0.00 H new ATOM 1114 N GLU A 139 -3.881 -6.093 -9.730 1.00 0.00 N ATOM 1115 CA GLU A 139 -3.359 -6.886 -10.835 1.00 0.00 C ATOM 1116 C GLU A 139 -2.884 -8.252 -10.347 1.00 0.00 C ATOM 1117 O GLU A 139 -3.242 -9.286 -10.911 1.00 0.00 O ATOM 1118 CB GLU A 139 -2.202 -6.138 -11.498 1.00 0.00 C ATOM 1119 CG GLU A 139 -2.490 -5.719 -12.926 1.00 0.00 C ATOM 1120 CD GLU A 139 -1.296 -5.902 -13.842 1.00 0.00 C ATOM 1121 OE1 GLU A 139 -0.176 -5.525 -13.439 1.00 0.00 O ATOM 1122 OE2 GLU A 139 -1.481 -6.423 -14.963 1.00 0.00 O ATOM 0 H GLU A 139 -3.441 -5.178 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.158 -7.042 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -1.968 -5.252 -10.908 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.316 -6.772 -11.486 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.329 -6.301 -13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -2.795 -4.673 -12.939 1.00 0.00 H new ATOM 1129 N THR A 140 -2.072 -8.239 -9.296 1.00 0.00 N ATOM 1130 CA THR A 140 -1.534 -9.467 -8.720 1.00 0.00 C ATOM 1131 C THR A 140 -2.648 -10.433 -8.334 1.00 0.00 C ATOM 1132 O THR A 140 -3.801 -10.033 -8.168 1.00 0.00 O ATOM 1133 CB THR A 140 -0.683 -9.142 -7.493 1.00 0.00 C ATOM 1134 OG1 THR A 140 0.276 -8.146 -7.796 1.00 0.00 O ATOM 1135 CG2 THR A 140 0.056 -10.342 -6.944 1.00 0.00 C ATOM 0 H THR A 140 -1.770 -7.387 -8.823 1.00 0.00 H new ATOM 0 HA THR A 140 -0.913 -9.948 -9.476 1.00 0.00 H new ATOM 0 HB THR A 140 -1.387 -8.793 -6.738 1.00 0.00 H new ATOM 0 HG1 THR A 140 1.048 -8.243 -7.200 1.00 0.00 H new ATOM 0 HG21 THR A 140 0.641 -10.043 -6.074 1.00 0.00 H new ATOM 0 HG22 THR A 140 -0.661 -11.109 -6.652 1.00 0.00 H new ATOM 0 HG23 THR A 140 0.722 -10.741 -7.709 1.00 0.00 H new ATOM 1143 N LYS A 141 -2.294 -11.706 -8.189 1.00 0.00 N ATOM 1144 CA LYS A 141 -3.261 -12.733 -7.820 1.00 0.00 C ATOM 1145 C LYS A 141 -3.988 -12.361 -6.530 1.00 0.00 C ATOM 1146 O LYS A 141 -5.199 -12.552 -6.416 1.00 0.00 O ATOM 1147 CB LYS A 141 -2.566 -14.086 -7.656 1.00 0.00 C ATOM 1148 CG LYS A 141 -1.340 -14.039 -6.756 1.00 0.00 C ATOM 1149 CD LYS A 141 -0.153 -14.742 -7.393 1.00 0.00 C ATOM 1150 CE LYS A 141 0.029 -16.143 -6.833 1.00 0.00 C ATOM 1151 NZ LYS A 141 0.399 -16.121 -5.391 1.00 0.00 N ATOM 0 H LYS A 141 -1.343 -12.051 -8.322 1.00 0.00 H new ATOM 0 HA LYS A 141 -3.996 -12.806 -8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -3.278 -14.803 -7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -2.271 -14.454 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -1.080 -13.001 -6.547 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.571 -14.508 -5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.297 -14.796 -8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 141 0.752 -14.159 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -0.894 -16.708 -6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 141 0.803 -16.662 -7.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 0.912 -16.993 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 1.006 -15.298 -5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -0.463 -16.056 -4.812 1.00 0.00 H new ATOM 1165 N GLY A 142 -3.246 -11.828 -5.564 1.00 0.00 N ATOM 1166 CA GLY A 142 -3.851 -11.439 -4.305 1.00 0.00 C ATOM 1167 C GLY A 142 -2.836 -11.028 -3.253 1.00 0.00 C ATOM 1168 O GLY A 142 -3.131 -10.199 -2.392 1.00 0.00 O ATOM 0 H GLY A 142 -2.242 -11.660 -5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -4.538 -10.611 -4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -4.444 -12.270 -3.923 1.00 0.00 H new ATOM 1172 N MET A 143 -1.642 -11.612 -3.311 1.00 0.00 N ATOM 1173 CA MET A 143 -0.595 -11.300 -2.342 1.00 0.00 C ATOM 1174 C MET A 143 0.270 -10.130 -2.805 1.00 0.00 C ATOM 1175 O MET A 143 0.845 -10.164 -3.893 1.00 0.00 O ATOM 1176 CB MET A 143 0.281 -12.530 -2.093 1.00 0.00 C ATOM 1177 CG MET A 143 0.863 -13.134 -3.361 1.00 0.00 C ATOM 1178 SD MET A 143 2.482 -13.881 -3.094 1.00 0.00 S ATOM 1179 CE MET A 143 2.111 -15.041 -1.781 1.00 0.00 C ATOM 0 H MET A 143 -1.376 -12.301 -4.015 1.00 0.00 H new ATOM 0 HA MET A 143 -1.083 -11.009 -1.412 1.00 0.00 H new ATOM 0 HB2 MET A 143 1.097 -12.254 -1.425 1.00 0.00 H new ATOM 0 HB3 MET A 143 -0.310 -13.288 -1.579 1.00 0.00 H new ATOM 0 HG2 MET A 143 0.178 -13.889 -3.747 1.00 0.00 H new ATOM 0 HG3 MET A 143 0.946 -12.359 -4.123 1.00 0.00 H new ATOM 0 HE1 MET A 143 2.957 -15.713 -1.639 1.00 0.00 H new ATOM 0 HE2 MET A 143 1.922 -14.496 -0.856 1.00 0.00 H new ATOM 0 HE3 MET A 143 1.228 -15.621 -2.047 1.00 0.00 H new ATOM 1189 N ILE A 144 0.367 -9.100 -1.967 1.00 0.00 N ATOM 1190 CA ILE A 144 1.173 -7.926 -2.291 1.00 0.00 C ATOM 1191 C ILE A 144 2.140 -7.593 -1.164 1.00 0.00 C ATOM 1192 O ILE A 144 1.824 -7.771 0.013 1.00 0.00 O ATOM 1193 CB ILE A 144 0.302 -6.686 -2.575 1.00 0.00 C ATOM 1194 CG1 ILE A 144 -0.726 -6.995 -3.660 1.00 0.00 C ATOM 1195 CG2 ILE A 144 1.168 -5.501 -2.982 1.00 0.00 C ATOM 1196 CD1 ILE A 144 -0.110 -7.472 -4.956 1.00 0.00 C ATOM 0 H ILE A 144 -0.101 -9.055 -1.062 1.00 0.00 H new ATOM 0 HA ILE A 144 1.731 -8.180 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 144 -0.228 -6.422 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -1.414 -7.756 -3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -1.317 -6.100 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 144 0.533 -4.637 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 144 1.864 -5.265 -2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 144 1.728 -5.752 -3.883 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -0.898 -7.673 -5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 144 0.556 -6.703 -5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 144 0.457 -8.385 -4.775 1.00 0.00 H new ATOM 1208 N SER A 145 3.312 -7.098 -1.544 1.00 0.00 N ATOM 1209 CA SER A 145 4.347 -6.717 -0.588 1.00 0.00 C ATOM 1210 C SER A 145 4.722 -5.250 -0.773 1.00 0.00 C ATOM 1211 O SER A 145 5.498 -4.907 -1.665 1.00 0.00 O ATOM 1212 CB SER A 145 5.585 -7.600 -0.770 1.00 0.00 C ATOM 1213 OG SER A 145 6.748 -6.967 -0.263 1.00 0.00 O ATOM 0 H SER A 145 3.572 -6.950 -2.519 1.00 0.00 H new ATOM 0 HA SER A 145 3.958 -6.857 0.421 1.00 0.00 H new ATOM 0 HB2 SER A 145 5.434 -8.551 -0.260 1.00 0.00 H new ATOM 0 HB3 SER A 145 5.722 -7.824 -1.828 1.00 0.00 H new ATOM 0 HG SER A 145 7.522 -7.554 -0.391 1.00 0.00 H new ATOM 1219 N LEU A 146 4.161 -4.387 0.065 1.00 0.00 N ATOM 1220 CA LEU A 146 4.432 -2.955 -0.021 1.00 0.00 C ATOM 1221 C LEU A 146 5.590 -2.555 0.875 1.00 0.00 C ATOM 1222 O LEU A 146 5.568 -2.793 2.082 1.00 0.00 O ATOM 1223 CB LEU A 146 3.195 -2.147 0.370 1.00 0.00 C ATOM 1224 CG LEU A 146 1.897 -2.572 -0.316 1.00 0.00 C ATOM 1225 CD1 LEU A 146 0.821 -2.867 0.716 1.00 0.00 C ATOM 1226 CD2 LEU A 146 1.430 -1.493 -1.282 1.00 0.00 C ATOM 0 H LEU A 146 3.517 -4.651 0.811 1.00 0.00 H new ATOM 0 HA LEU A 146 4.697 -2.739 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 146 3.058 -2.221 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 146 3.380 -1.097 0.144 1.00 0.00 H new ATOM 0 HG LEU A 146 2.087 -3.483 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -0.096 -3.168 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 146 1.155 -3.672 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 146 0.631 -1.973 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 146 0.505 -1.811 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 146 1.256 -0.566 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 146 2.195 -1.328 -2.041 1.00 0.00 H new ATOM 1238 N LYS A 147 6.591 -1.924 0.277 1.00 0.00 N ATOM 1239 CA LYS A 147 7.754 -1.466 1.020 1.00 0.00 C ATOM 1240 C LYS A 147 7.547 -0.027 1.470 1.00 0.00 C ATOM 1241 O LYS A 147 7.446 0.880 0.643 1.00 0.00 O ATOM 1242 CB LYS A 147 9.020 -1.573 0.169 1.00 0.00 C ATOM 1243 CG LYS A 147 9.641 -2.960 0.172 1.00 0.00 C ATOM 1244 CD LYS A 147 10.845 -3.030 1.098 1.00 0.00 C ATOM 1245 CE LYS A 147 11.627 -4.319 0.901 1.00 0.00 C ATOM 1246 NZ LYS A 147 12.391 -4.318 -0.377 1.00 0.00 N ATOM 0 H LYS A 147 6.620 -1.718 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 147 7.877 -2.103 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 147 8.782 -1.293 -0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.754 -0.855 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 147 8.897 -3.692 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 147 9.944 -3.226 -0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 147 11.497 -2.176 0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 147 10.513 -2.960 2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 147 12.315 -4.456 1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 147 10.940 -5.165 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 13.038 -5.132 -0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 11.730 -4.384 -1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 12.940 -3.438 -0.453 1.00 0.00 H new ATOM 1260 N VAL A 148 7.467 0.178 2.779 1.00 0.00 N ATOM 1261 CA VAL A 148 7.253 1.510 3.320 1.00 0.00 C ATOM 1262 C VAL A 148 8.331 1.882 4.332 1.00 0.00 C ATOM 1263 O VAL A 148 9.080 1.025 4.800 1.00 0.00 O ATOM 1264 CB VAL A 148 5.860 1.628 3.975 1.00 0.00 C ATOM 1265 CG1 VAL A 148 4.786 1.083 3.043 1.00 0.00 C ATOM 1266 CG2 VAL A 148 5.824 0.907 5.315 1.00 0.00 C ATOM 0 H VAL A 148 7.547 -0.558 3.481 1.00 0.00 H new ATOM 0 HA VAL A 148 7.309 2.207 2.483 1.00 0.00 H new ATOM 0 HB VAL A 148 5.658 2.684 4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.810 1.174 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 148 4.789 1.651 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 148 4.989 0.034 2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 148 4.832 1.006 5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 148 6.052 -0.149 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 148 6.563 1.347 5.985 1.00 0.00 H new ATOM 1276 N ILE A 149 8.401 3.165 4.661 1.00 0.00 N ATOM 1277 CA ILE A 149 9.386 3.656 5.616 1.00 0.00 C ATOM 1278 C ILE A 149 8.746 3.903 6.982 1.00 0.00 C ATOM 1279 O ILE A 149 7.567 4.246 7.072 1.00 0.00 O ATOM 1280 CB ILE A 149 10.063 4.950 5.093 1.00 0.00 C ATOM 1281 CG1 ILE A 149 11.449 4.628 4.527 1.00 0.00 C ATOM 1282 CG2 ILE A 149 10.164 6.014 6.181 1.00 0.00 C ATOM 1283 CD1 ILE A 149 11.722 5.283 3.191 1.00 0.00 C ATOM 0 H ILE A 149 7.787 3.885 4.280 1.00 0.00 H new ATOM 0 HA ILE A 149 10.152 2.889 5.731 1.00 0.00 H new ATOM 0 HB ILE A 149 9.438 5.355 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 149 12.208 4.948 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 149 11.547 3.548 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 149 10.644 6.905 5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 149 9.165 6.269 6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 149 10.756 5.630 7.012 1.00 0.00 H new ATOM 0 HD11 ILE A 149 12.721 5.012 2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 149 10.985 4.944 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 149 11.656 6.366 3.297 1.00 0.00 H new ATOM 1295 N PRO A 150 9.520 3.732 8.068 1.00 0.00 N ATOM 1296 CA PRO A 150 9.027 3.938 9.434 1.00 0.00 C ATOM 1297 C PRO A 150 8.516 5.357 9.654 1.00 0.00 C ATOM 1298 O PRO A 150 9.174 6.329 9.283 1.00 0.00 O ATOM 1299 CB PRO A 150 10.255 3.670 10.315 1.00 0.00 C ATOM 1300 CG PRO A 150 11.425 3.783 9.397 1.00 0.00 C ATOM 1301 CD PRO A 150 10.936 3.327 8.053 1.00 0.00 C ATOM 0 HA PRO A 150 8.182 3.288 9.659 1.00 0.00 H new ATOM 0 HB2 PRO A 150 10.321 4.392 11.129 1.00 0.00 H new ATOM 0 HB3 PRO A 150 10.205 2.681 10.770 1.00 0.00 H new ATOM 0 HG2 PRO A 150 11.790 4.809 9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 150 12.254 3.165 9.742 1.00 0.00 H new ATOM 0 HD2 PRO A 150 11.484 3.803 7.240 1.00 0.00 H new ATOM 0 HD3 PRO A 150 11.048 2.250 7.926 1.00 0.00 H new ATOM 1309 N ASN A 151 7.338 5.469 10.257 1.00 0.00 N ATOM 1310 CA ASN A 151 6.738 6.771 10.526 1.00 0.00 C ATOM 1311 C ASN A 151 7.527 7.526 11.590 1.00 0.00 C ATOM 1312 O ASN A 151 7.148 7.546 12.761 1.00 0.00 O ATOM 1313 CB ASN A 151 5.283 6.604 10.973 1.00 0.00 C ATOM 1314 CG ASN A 151 5.152 5.729 12.205 1.00 0.00 C ATOM 1315 OD1 ASN A 151 5.047 4.422 11.995 1.00 0.00 O flip ATOM 1316 ND2 ASN A 151 5.144 6.222 13.332 1.00 0.00 N flip ATOM 0 H ASN A 151 6.779 4.675 10.569 1.00 0.00 H new ATOM 0 HA ASN A 151 6.762 7.351 9.604 1.00 0.00 H new ATOM 0 HB2 ASN A 151 4.855 7.585 11.180 1.00 0.00 H new ATOM 0 HB3 ASN A 151 4.704 6.169 10.159 1.00 0.00 H new ATOM 0 HD21 ASN A 151 5.227 7.232 13.447 1.00 0.00 H new ATOM 0 HD22 ASN A 151 5.054 5.621 14.151 1.00 0.00 H new