USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 611 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 46 LYS NZ :NH3+ -179:sc= 1.06 (180deg=0.977) USER MOD Set 1.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 44 GLN : amide:sc= -0.392 X(o=-3.7,f=-3.5) USER MOD Set 2.2: A 47 GLN : amide:sc= -3.31! C(o=-3.7!,f=-3.5!) USER MOD Set 3.1: A 8 CYS SG : rot 4:sc= -1.51 USER MOD Set 3.2: A 36 SER OG : rot -81:sc= 0.0106 USER MOD Single : A 5 THR OG1 : rot 37:sc= 0.246 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.38) USER MOD Single : A 18 GLN : amide:sc= -2.49! C(o=-2.5!,f=-2.9!) USER MOD Single : A 21 GLN : amide:sc= 0.0301 K(o=0.03,f=-2.5!) USER MOD Single : A 23 TYR OH : rot 180:sc= -1.99! USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0124) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0738 K(o=-0.074,f=-1.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.5!) USER MOD Single : A 45 HIS : no HD1:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0255 X(o=-0.025,f=-0.36) USER MOD Single : A 54 LYS NZ :NH3+ -140:sc= 0.413 (180deg=-1.26!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.0274 X(o=0.027,f=0) USER MOD Single : A 58 MET CE :methyl 169:sc= -8.63! (180deg=-9.14!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -3.9 K(o=-3.9,f=-12!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.026) USER MOD Single : A 71 MET CE :methyl -148:sc= -3.31 (180deg=-4.76!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 5 -9.087 -19.290 40.736 1.00 61.43 N ATOM 63 CA THR A 5 -9.463 -19.258 39.328 1.00 75.42 C ATOM 64 C THR A 5 -10.865 -18.684 39.157 1.00 53.15 C ATOM 65 O THR A 5 -11.837 -19.232 39.675 1.00 32.22 O ATOM 66 CB THR A 5 -9.401 -20.666 38.733 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.185 -21.305 39.079 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.515 -20.687 37.224 1.00 34.41 C ATOM 0 HA THR A 5 -8.758 -18.616 38.800 1.00 75.42 H new ATOM 0 HB THR A 5 -10.258 -21.192 39.153 1.00 2.14 H new ATOM 0 HG1 THR A 5 -7.937 -21.062 39.995 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.463 -21.716 36.870 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.467 -20.247 36.925 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.697 -20.112 36.789 1.00 34.41 H new ATOM 76 N ILE A 6 -10.963 -17.577 38.427 1.00 1.53 N ATOM 77 CA ILE A 6 -12.249 -16.933 38.192 1.00 33.41 C ATOM 78 C ILE A 6 -13.012 -17.628 37.072 1.00 11.10 C ATOM 79 O ILE A 6 -12.531 -18.600 36.489 1.00 72.21 O ATOM 80 CB ILE A 6 -12.077 -15.440 37.831 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.400 -15.285 36.463 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.272 -14.726 38.905 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.562 -13.908 35.861 1.00 23.21 C ATOM 0 H ILE A 6 -10.169 -17.109 37.990 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.815 -17.011 39.120 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.066 -14.985 37.775 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.337 -15.505 36.566 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.813 -16.024 35.776 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.159 -13.676 38.637 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.791 -14.803 39.860 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.288 -15.187 38.989 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.058 -13.872 34.895 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.622 -13.692 35.726 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.123 -13.166 36.527 1.00 23.21 H new ATOM 95 N PHE A 7 -14.195 -17.112 36.762 1.00 13.34 N ATOM 96 CA PHE A 7 -15.016 -17.670 35.697 1.00 50.22 C ATOM 97 C PHE A 7 -15.192 -16.652 34.578 1.00 42.14 C ATOM 98 O PHE A 7 -16.009 -15.738 34.681 1.00 72.41 O ATOM 99 CB PHE A 7 -16.380 -18.108 36.231 1.00 50.24 C ATOM 100 CG PHE A 7 -16.954 -19.282 35.491 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.441 -20.555 35.681 1.00 13.11 C ATOM 102 CD2 PHE A 7 -18.001 -19.110 34.600 1.00 40.51 C ATOM 103 CE1 PHE A 7 -16.961 -21.636 34.997 1.00 14.44 C ATOM 104 CE2 PHE A 7 -18.527 -20.189 33.913 1.00 31.12 C ATOM 105 CZ PHE A 7 -18.006 -21.453 34.112 1.00 21.53 C ATOM 0 H PHE A 7 -14.607 -16.307 37.234 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.507 -18.548 35.300 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.285 -18.363 37.287 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -17.075 -17.271 36.166 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.625 -20.704 36.372 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.410 -18.123 34.440 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -16.551 -22.623 35.154 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.344 -20.044 33.222 1.00 31.12 H new ATOM 0 HZ PHE A 7 -18.415 -22.297 33.576 1.00 21.53 H new ATOM 115 N CYS A 8 -14.415 -16.811 33.510 1.00 31.32 N ATOM 116 CA CYS A 8 -14.483 -15.898 32.377 1.00 54.41 C ATOM 117 C CYS A 8 -15.866 -15.940 31.731 1.00 65.22 C ATOM 118 O CYS A 8 -16.507 -16.991 31.688 1.00 34.32 O ATOM 119 CB CYS A 8 -13.410 -16.253 31.345 1.00 24.25 C ATOM 120 SG CYS A 8 -13.166 -14.996 30.069 1.00 51.15 S ATOM 0 H CYS A 8 -13.733 -17.562 33.407 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.303 -14.887 32.742 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.465 -16.418 31.862 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.680 -17.194 30.866 1.00 24.25 H new ATOM 0 HG CYS A 8 -13.915 -13.965 30.326 1.00 51.15 H new ATOM 126 N THR A 9 -16.316 -14.798 31.220 1.00 52.25 N ATOM 127 CA THR A 9 -17.620 -14.717 30.568 1.00 12.21 C ATOM 128 C THR A 9 -17.474 -14.853 29.054 1.00 43.22 C ATOM 129 O THR A 9 -18.424 -15.217 28.361 1.00 73.23 O ATOM 130 CB THR A 9 -18.311 -13.395 30.907 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.656 -13.401 30.457 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.631 -12.190 30.294 1.00 1.45 C ATOM 0 H THR A 9 -15.800 -13.919 31.244 1.00 52.25 H new ATOM 0 HA THR A 9 -18.233 -15.539 30.937 1.00 12.21 H new ATOM 0 HB THR A 9 -18.257 -13.312 31.992 1.00 25.02 H new ATOM 0 HG1 THR A 9 -20.081 -12.548 30.685 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.172 -11.286 30.574 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.605 -12.127 30.658 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.626 -12.288 29.208 1.00 1.45 H new ATOM 140 N PHE A 10 -16.278 -14.560 28.552 1.00 65.32 N ATOM 141 CA PHE A 10 -16.005 -14.653 27.124 1.00 62.40 C ATOM 142 C PHE A 10 -15.876 -16.114 26.707 1.00 73.04 C ATOM 143 O PHE A 10 -16.454 -16.541 25.708 1.00 1.33 O ATOM 144 CB PHE A 10 -14.726 -13.884 26.785 1.00 25.33 C ATOM 145 CG PHE A 10 -14.318 -13.985 25.343 1.00 64.10 C ATOM 146 CD1 PHE A 10 -15.190 -13.613 24.331 1.00 62.10 C ATOM 147 CD2 PHE A 10 -13.060 -14.450 25.000 1.00 61.21 C ATOM 148 CE1 PHE A 10 -14.812 -13.703 23.005 1.00 3.30 C ATOM 149 CE2 PHE A 10 -12.677 -14.543 23.676 1.00 51.44 C ATOM 150 CZ PHE A 10 -13.553 -14.169 22.677 1.00 24.22 C ATOM 0 H PHE A 10 -15.483 -14.256 29.114 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.835 -14.209 26.574 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.867 -12.834 27.039 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.914 -14.257 27.409 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -16.175 -13.249 24.582 1.00 62.10 H new ATOM 0 HD2 PHE A 10 -12.370 -14.744 25.777 1.00 61.21 H new ATOM 0 HE1 PHE A 10 -15.500 -13.409 22.226 1.00 3.30 H new ATOM 0 HE2 PHE A 10 -11.693 -14.908 23.423 1.00 51.44 H new ATOM 0 HZ PHE A 10 -13.255 -14.240 21.641 1.00 24.22 H new ATOM 160 N LEU A 11 -15.130 -16.881 27.495 1.00 73.11 N ATOM 161 CA LEU A 11 -14.938 -18.301 27.227 1.00 31.00 C ATOM 162 C LEU A 11 -15.995 -19.131 27.947 1.00 73.10 C ATOM 163 O LEU A 11 -16.160 -20.317 27.667 1.00 62.15 O ATOM 164 CB LEU A 11 -13.542 -18.749 27.666 1.00 1.01 C ATOM 165 CG LEU A 11 -12.409 -17.776 27.335 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.388 -17.741 28.462 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.744 -18.165 26.022 1.00 2.01 C ATOM 0 H LEU A 11 -14.647 -16.541 28.327 1.00 73.11 H new ATOM 0 HA LEU A 11 -15.037 -18.457 26.153 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.554 -18.914 28.743 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -13.323 -19.709 27.198 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.831 -16.777 27.226 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.590 -17.043 28.208 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.873 -17.418 29.383 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.968 -18.737 28.604 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.940 -17.464 25.800 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -11.335 -19.172 26.106 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.481 -18.139 25.219 1.00 2.01 H new ATOM 179 N GLN A 12 -16.703 -18.501 28.881 1.00 23.53 N ATOM 180 CA GLN A 12 -17.734 -19.190 29.643 1.00 23.44 C ATOM 181 C GLN A 12 -17.135 -20.378 30.383 1.00 25.43 C ATOM 182 O GLN A 12 -17.723 -21.459 30.430 1.00 51.41 O ATOM 183 CB GLN A 12 -18.859 -19.655 28.718 1.00 53.11 C ATOM 184 CG GLN A 12 -20.019 -18.677 28.637 1.00 64.42 C ATOM 185 CD GLN A 12 -20.605 -18.356 29.999 1.00 42.33 C ATOM 186 OE1 GLN A 12 -20.974 -19.253 30.756 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.691 -17.070 30.318 1.00 71.40 N ATOM 0 H GLN A 12 -16.580 -17.518 29.126 1.00 23.53 H new ATOM 0 HA GLN A 12 -18.150 -18.496 30.373 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.455 -19.811 27.718 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -19.230 -20.619 29.066 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.680 -17.755 28.164 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.798 -19.095 27.999 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -20.373 -16.359 29.660 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -21.075 -16.793 31.221 1.00 71.40 H new ATOM 196 N ARG A 13 -15.959 -20.165 30.967 1.00 31.42 N ATOM 197 CA ARG A 13 -15.272 -21.213 31.715 1.00 30.23 C ATOM 198 C ARG A 13 -14.555 -20.620 32.924 1.00 63.10 C ATOM 199 O ARG A 13 -14.700 -19.434 33.221 1.00 64.23 O ATOM 200 CB ARG A 13 -14.261 -21.942 30.823 1.00 73.20 C ATOM 201 CG ARG A 13 -14.536 -21.808 29.334 1.00 72.11 C ATOM 202 CD ARG A 13 -13.600 -22.681 28.517 1.00 24.42 C ATOM 203 NE ARG A 13 -12.219 -22.204 28.580 1.00 51.31 N ATOM 204 CZ ARG A 13 -11.184 -22.951 28.964 1.00 21.21 C ATOM 205 NH1 ARG A 13 -11.357 -24.219 29.321 1.00 22.03 N ATOM 206 NH2 ARG A 13 -9.967 -22.424 28.992 1.00 63.21 N ATOM 0 H ARG A 13 -15.462 -19.275 30.936 1.00 31.42 H new ATOM 0 HA ARG A 13 -16.019 -21.929 32.058 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -13.263 -21.557 31.033 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -14.256 -23.000 31.087 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -15.569 -22.086 29.127 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.420 -20.767 29.033 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -13.647 -23.707 28.883 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -13.932 -22.697 27.479 1.00 24.42 H new ATOM 0 HE ARG A 13 -12.036 -21.237 28.313 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -12.290 -24.631 29.303 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -10.557 -24.780 29.613 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -9.826 -21.451 28.720 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -9.172 -22.992 29.285 1.00 63.21 H new ATOM 220 N GLU A 14 -13.775 -21.448 33.614 1.00 1.13 N ATOM 221 CA GLU A 14 -13.032 -20.994 34.784 1.00 34.13 C ATOM 222 C GLU A 14 -11.560 -20.789 34.442 1.00 14.15 C ATOM 223 O GLU A 14 -10.855 -21.738 34.099 1.00 14.24 O ATOM 224 CB GLU A 14 -13.167 -21.997 35.931 1.00 13.12 C ATOM 225 CG GLU A 14 -13.351 -21.339 37.291 1.00 33.02 C ATOM 226 CD GLU A 14 -14.229 -22.153 38.222 1.00 62.23 C ATOM 227 OE1 GLU A 14 -15.439 -22.280 37.937 1.00 65.42 O ATOM 228 OE2 GLU A 14 -13.707 -22.663 39.235 1.00 33.53 O ATOM 0 H GLU A 14 -13.642 -22.433 33.384 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.453 -20.040 35.101 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -14.017 -22.651 35.734 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -12.279 -22.628 35.958 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -12.375 -21.193 37.754 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.791 -20.351 37.155 1.00 33.02 H new ATOM 235 N ALA A 15 -11.102 -19.543 34.532 1.00 12.03 N ATOM 236 CA ALA A 15 -9.713 -19.216 34.227 1.00 21.22 C ATOM 237 C ALA A 15 -9.140 -18.227 35.239 1.00 54.41 C ATOM 238 O ALA A 15 -9.866 -17.684 36.072 1.00 2.04 O ATOM 239 CB ALA A 15 -9.604 -18.653 32.818 1.00 50.14 C ATOM 0 H ALA A 15 -11.672 -18.745 34.813 1.00 12.03 H new ATOM 0 HA ALA A 15 -9.129 -20.134 34.290 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.563 -18.413 32.602 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -9.962 -19.393 32.102 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -10.209 -17.750 32.739 1.00 50.14 H new ATOM 245 N GLU A 16 -7.833 -17.995 35.156 1.00 3.04 N ATOM 246 CA GLU A 16 -7.161 -17.069 36.062 1.00 72.43 C ATOM 247 C GLU A 16 -7.705 -15.655 35.886 1.00 31.24 C ATOM 248 O GLU A 16 -8.622 -15.426 35.099 1.00 54.24 O ATOM 249 CB GLU A 16 -5.649 -17.081 35.813 1.00 40.45 C ATOM 250 CG GLU A 16 -4.861 -17.827 36.879 1.00 2.55 C ATOM 251 CD GLU A 16 -3.488 -18.253 36.397 1.00 45.03 C ATOM 252 OE1 GLU A 16 -3.412 -19.186 35.572 1.00 44.31 O ATOM 253 OE2 GLU A 16 -2.488 -17.652 36.844 1.00 45.02 O ATOM 0 H GLU A 16 -7.219 -18.435 34.471 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.354 -17.393 37.085 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -5.453 -17.537 34.843 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.290 -16.053 35.761 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -4.753 -17.191 37.757 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -5.422 -18.708 37.191 1.00 2.55 H new ATOM 260 N GLY A 17 -7.133 -14.708 36.623 1.00 52.13 N ATOM 261 CA GLY A 17 -7.574 -13.330 36.530 1.00 51.12 C ATOM 262 C GLY A 17 -6.421 -12.363 36.352 1.00 22.35 C ATOM 263 O GLY A 17 -5.267 -12.777 36.236 1.00 53.22 O ATOM 0 H GLY A 17 -6.372 -14.871 37.283 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.262 -13.228 35.691 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.128 -13.068 37.431 1.00 51.12 H new ATOM 267 N GLN A 18 -6.732 -11.072 36.327 1.00 21.14 N ATOM 268 CA GLN A 18 -5.714 -10.041 36.159 1.00 54.11 C ATOM 269 C GLN A 18 -5.224 -9.529 37.510 1.00 43.52 C ATOM 270 O GLN A 18 -5.927 -9.626 38.516 1.00 15.54 O ATOM 271 CB GLN A 18 -6.265 -8.886 35.323 1.00 11.52 C ATOM 272 CG GLN A 18 -6.488 -9.252 33.864 1.00 53.05 C ATOM 273 CD GLN A 18 -7.940 -9.138 33.448 1.00 62.42 C ATOM 274 OE1 GLN A 18 -8.303 -8.276 32.649 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.780 -10.012 33.990 1.00 14.32 N ATOM 0 H GLN A 18 -7.682 -10.714 36.421 1.00 21.14 H new ATOM 0 HA GLN A 18 -4.866 -10.483 35.637 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -7.208 -8.552 35.755 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.574 -8.045 35.378 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -5.882 -8.601 33.234 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -6.144 -10.272 33.693 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.435 -10.710 34.649 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.770 -9.985 33.748 1.00 14.32 H new ATOM 284 N ASP A 19 -4.009 -8.991 37.525 1.00 30.30 N ATOM 285 CA ASP A 19 -3.413 -8.468 38.749 1.00 31.15 C ATOM 286 C ASP A 19 -3.866 -7.036 39.026 1.00 54.34 C ATOM 287 O ASP A 19 -3.894 -6.599 40.175 1.00 62.12 O ATOM 288 CB ASP A 19 -1.886 -8.526 38.654 1.00 61.25 C ATOM 289 CG ASP A 19 -1.271 -9.410 39.722 1.00 4.21 C ATOM 290 OD1 ASP A 19 -1.529 -10.632 39.702 1.00 32.45 O ATOM 291 OD2 ASP A 19 -0.531 -8.880 40.577 1.00 63.02 O ATOM 0 H ASP A 19 -3.416 -8.906 36.700 1.00 30.30 H new ATOM 0 HA ASP A 19 -3.749 -9.091 39.578 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -1.600 -8.898 37.670 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -1.481 -7.518 38.744 1.00 61.25 H new ATOM 296 N PHE A 20 -4.216 -6.308 37.969 1.00 75.50 N ATOM 297 CA PHE A 20 -4.662 -4.925 38.116 1.00 61.11 C ATOM 298 C PHE A 20 -5.648 -4.540 37.018 1.00 11.10 C ATOM 299 O PHE A 20 -5.518 -4.970 35.872 1.00 10.14 O ATOM 300 CB PHE A 20 -3.463 -3.973 38.093 1.00 42.10 C ATOM 301 CG PHE A 20 -2.471 -4.275 37.005 1.00 20.33 C ATOM 302 CD1 PHE A 20 -2.664 -3.796 35.719 1.00 53.11 C ATOM 303 CD2 PHE A 20 -1.343 -5.034 37.273 1.00 62.20 C ATOM 304 CE1 PHE A 20 -1.750 -4.068 34.719 1.00 13.12 C ATOM 305 CE2 PHE A 20 -0.425 -5.312 36.276 1.00 64.11 C ATOM 306 CZ PHE A 20 -0.629 -4.828 34.998 1.00 51.01 C ATOM 0 H PHE A 20 -4.200 -6.649 37.008 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.170 -4.841 39.077 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.824 -2.952 37.970 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -2.956 -4.018 39.057 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -3.539 -3.203 35.496 1.00 53.11 H new ATOM 0 HD2 PHE A 20 -1.179 -5.413 38.271 1.00 62.20 H new ATOM 0 HE1 PHE A 20 -1.911 -3.688 33.721 1.00 13.12 H new ATOM 0 HE2 PHE A 20 0.450 -5.906 36.496 1.00 64.11 H new ATOM 0 HZ PHE A 20 0.086 -5.043 34.218 1.00 51.01 H new ATOM 316 N GLN A 21 -6.632 -3.721 37.377 1.00 15.34 N ATOM 317 CA GLN A 21 -7.641 -3.269 36.426 1.00 22.42 C ATOM 318 C GLN A 21 -6.993 -2.499 35.278 1.00 75.54 C ATOM 319 O GLN A 21 -6.329 -1.485 35.497 1.00 3.30 O ATOM 320 CB GLN A 21 -8.672 -2.386 37.131 1.00 41.11 C ATOM 321 CG GLN A 21 -9.951 -2.185 36.334 1.00 63.45 C ATOM 322 CD GLN A 21 -10.983 -1.366 37.086 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.232 -1.599 38.269 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.589 -0.401 36.403 1.00 51.02 N ATOM 0 H GLN A 21 -6.752 -3.356 38.322 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.143 -4.145 36.016 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -8.921 -2.831 38.094 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.225 -1.413 37.335 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.714 -1.689 35.393 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.376 -3.157 36.084 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -11.351 -0.243 35.424 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.292 0.182 36.858 1.00 51.02 H new ATOM 333 N LEU A 22 -7.186 -2.990 34.059 1.00 10.45 N ATOM 334 CA LEU A 22 -6.616 -2.351 32.879 1.00 4.02 C ATOM 335 C LEU A 22 -7.504 -1.215 32.386 1.00 35.51 C ATOM 336 O LEU A 22 -7.016 -0.135 32.052 1.00 71.53 O ATOM 337 CB LEU A 22 -6.417 -3.381 31.768 1.00 12.14 C ATOM 338 CG LEU A 22 -5.842 -4.719 32.233 1.00 25.31 C ATOM 339 CD1 LEU A 22 -5.786 -5.706 31.078 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.460 -4.522 32.838 1.00 4.03 C ATOM 0 H LEU A 22 -7.733 -3.828 33.862 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.649 -1.930 33.156 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.376 -3.562 31.283 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -5.753 -2.958 31.014 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.498 -5.129 33.001 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -5.374 -6.653 31.428 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -6.791 -5.869 30.690 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -5.152 -5.305 30.287 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.065 -5.484 33.164 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -3.794 -4.091 32.091 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -4.530 -3.850 33.693 1.00 4.03 H new ATOM 352 N TYR A 23 -8.809 -1.458 32.349 1.00 34.05 N ATOM 353 CA TYR A 23 -9.756 -0.445 31.905 1.00 23.50 C ATOM 354 C TYR A 23 -10.196 0.419 33.090 1.00 25.40 C ATOM 355 O TYR A 23 -9.962 0.062 34.242 1.00 43.13 O ATOM 356 CB TYR A 23 -10.967 -1.102 31.241 1.00 63.45 C ATOM 357 CG TYR A 23 -11.224 -0.611 29.841 1.00 52.33 C ATOM 358 CD1 TYR A 23 -10.234 -0.651 28.872 1.00 65.42 C ATOM 359 CD2 TYR A 23 -12.461 -0.092 29.497 1.00 4.51 C ATOM 360 CE1 TYR A 23 -10.472 -0.186 27.592 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.708 0.378 28.225 1.00 71.50 C ATOM 362 CZ TYR A 23 -11.711 0.330 27.276 1.00 12.35 C ATOM 363 OH TYR A 23 -11.950 0.804 26.007 1.00 2.05 O ATOM 0 H TYR A 23 -9.233 -2.345 32.620 1.00 34.05 H new ATOM 0 HA TYR A 23 -9.267 0.195 31.170 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.817 -2.181 31.217 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.851 -0.916 31.851 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -9.262 -1.051 29.120 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -13.246 -0.055 30.238 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -9.693 -0.227 26.845 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.678 0.782 27.974 1.00 71.50 H new ATOM 0 HH TYR A 23 -12.872 1.132 25.948 1.00 2.05 H new ATOM 373 N PRO A 24 -10.821 1.579 32.829 1.00 32.24 N ATOM 374 CA PRO A 24 -11.267 2.492 33.878 1.00 11.05 C ATOM 375 C PRO A 24 -12.703 2.241 34.318 1.00 1.33 C ATOM 376 O PRO A 24 -13.344 1.282 33.889 1.00 21.12 O ATOM 377 CB PRO A 24 -11.184 3.830 33.162 1.00 65.33 C ATOM 378 CG PRO A 24 -11.660 3.503 31.791 1.00 43.20 C ATOM 379 CD PRO A 24 -11.131 2.119 31.491 1.00 63.42 C ATOM 0 HA PRO A 24 -10.677 2.400 34.790 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -11.812 4.583 33.639 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -10.167 4.222 33.154 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.749 3.525 31.739 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -11.291 4.228 31.066 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.870 1.509 30.972 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -10.246 2.155 30.856 1.00 63.42 H new ATOM 387 N GLY A 25 -13.200 3.138 35.162 1.00 62.31 N ATOM 388 CA GLY A 25 -14.562 3.054 35.652 1.00 55.53 C ATOM 389 C GLY A 25 -15.022 1.652 35.986 1.00 61.45 C ATOM 390 O GLY A 25 -14.261 0.839 36.511 1.00 31.03 O ATOM 0 H GLY A 25 -12.673 3.934 35.520 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.653 3.675 36.543 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.232 3.474 34.901 1.00 55.53 H new ATOM 394 N GLU A 26 -16.289 1.388 35.693 1.00 34.32 N ATOM 395 CA GLU A 26 -16.900 0.094 35.970 1.00 25.33 C ATOM 396 C GLU A 26 -16.561 -0.931 34.895 1.00 14.12 C ATOM 397 O GLU A 26 -16.408 -2.117 35.186 1.00 61.02 O ATOM 398 CB GLU A 26 -18.416 0.250 36.089 1.00 60.13 C ATOM 399 CG GLU A 26 -18.987 -0.329 37.371 1.00 32.34 C ATOM 400 CD GLU A 26 -20.234 0.399 37.833 1.00 53.51 C ATOM 401 OE1 GLU A 26 -21.340 0.017 37.397 1.00 44.40 O ATOM 402 OE2 GLU A 26 -20.102 1.354 38.627 1.00 61.30 O ATOM 0 H GLU A 26 -16.920 2.062 35.259 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.496 -0.272 36.914 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.670 1.309 36.034 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -18.891 -0.236 35.237 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -19.221 -1.382 37.217 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -18.231 -0.282 38.155 1.00 32.34 H new ATOM 409 N LEU A 27 -16.444 -0.475 33.654 1.00 43.20 N ATOM 410 CA LEU A 27 -16.119 -1.371 32.551 1.00 70.03 C ATOM 411 C LEU A 27 -14.846 -2.148 32.866 1.00 3.24 C ATOM 412 O LEU A 27 -14.812 -3.373 32.770 1.00 43.43 O ATOM 413 CB LEU A 27 -15.950 -0.584 31.252 1.00 42.54 C ATOM 414 CG LEU A 27 -16.574 -1.228 30.007 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.138 -2.680 29.860 1.00 14.22 C ATOM 416 CD2 LEU A 27 -18.091 -1.131 30.061 1.00 51.13 C ATOM 0 H LEU A 27 -16.568 0.502 33.387 1.00 43.20 H new ATOM 0 HA LEU A 27 -16.941 -2.076 32.422 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.388 0.405 31.387 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -14.885 -0.439 31.070 1.00 42.54 H new ATOM 0 HG LEU A 27 -16.220 -0.681 29.133 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -16.596 -3.109 28.969 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -15.053 -2.727 29.768 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.452 -3.245 30.738 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.517 -1.593 29.170 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -18.457 -1.648 30.948 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -18.387 -0.083 30.103 1.00 51.13 H new ATOM 428 N GLY A 28 -13.802 -1.430 33.259 1.00 3.43 N ATOM 429 CA GLY A 28 -12.549 -2.076 33.596 1.00 70.33 C ATOM 430 C GLY A 28 -12.720 -3.100 34.693 1.00 53.45 C ATOM 431 O GLY A 28 -12.052 -4.134 34.692 1.00 64.53 O ATOM 0 H GLY A 28 -13.800 -0.414 33.350 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.140 -2.559 32.709 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.826 -1.324 33.911 1.00 70.33 H new ATOM 435 N LYS A 29 -13.623 -2.822 35.622 1.00 41.30 N ATOM 436 CA LYS A 29 -13.883 -3.743 36.720 1.00 11.31 C ATOM 437 C LYS A 29 -14.406 -5.077 36.193 1.00 74.12 C ATOM 438 O LYS A 29 -13.833 -6.130 36.469 1.00 50.10 O ATOM 439 CB LYS A 29 -14.891 -3.140 37.697 1.00 13.40 C ATOM 440 CG LYS A 29 -14.250 -2.310 38.795 1.00 74.43 C ATOM 441 CD LYS A 29 -15.285 -1.497 39.556 1.00 54.40 C ATOM 442 CE LYS A 29 -15.588 -2.110 40.913 1.00 33.14 C ATOM 443 NZ LYS A 29 -16.482 -3.296 40.797 1.00 73.52 N ATOM 0 H LYS A 29 -14.185 -1.971 35.638 1.00 41.30 H new ATOM 0 HA LYS A 29 -12.943 -3.918 37.244 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.592 -2.516 37.143 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -15.470 -3.944 38.152 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -13.721 -2.966 39.486 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -13.508 -1.640 38.360 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -14.922 -0.478 39.689 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -16.202 -1.435 38.971 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -14.656 -2.403 41.396 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -16.057 -1.363 41.553 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -16.720 -3.645 41.747 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -17.354 -3.026 40.298 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -15.997 -4.046 40.264 1.00 73.52 H new ATOM 457 N ARG A 30 -15.500 -5.024 35.437 1.00 14.42 N ATOM 458 CA ARG A 30 -16.105 -6.230 34.878 1.00 74.43 C ATOM 459 C ARG A 30 -15.109 -7.000 34.015 1.00 51.04 C ATOM 460 O ARG A 30 -15.066 -8.225 34.060 1.00 65.32 O ATOM 461 CB ARG A 30 -17.360 -5.889 34.071 1.00 42.34 C ATOM 462 CG ARG A 30 -17.146 -4.807 33.028 1.00 12.00 C ATOM 463 CD ARG A 30 -18.461 -4.170 32.613 1.00 64.35 C ATOM 464 NE ARG A 30 -19.004 -3.319 33.668 1.00 14.55 N ATOM 465 CZ ARG A 30 -20.305 -3.158 33.902 1.00 44.23 C ATOM 466 NH1 ARG A 30 -21.209 -3.778 33.153 1.00 71.24 N ATOM 467 NH2 ARG A 30 -20.704 -2.370 34.891 1.00 70.40 N ATOM 0 H ARG A 30 -15.985 -4.159 35.198 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.395 -6.869 35.712 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.718 -6.792 33.576 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.145 -5.569 34.756 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.479 -4.042 33.426 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.655 -5.234 32.154 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.310 -3.579 31.710 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -19.182 -4.950 32.367 1.00 64.35 H new ATOM 0 HE ARG A 30 -18.345 -2.816 34.263 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -20.909 -4.385 32.390 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -22.203 -3.648 33.341 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -20.015 -1.889 35.470 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -21.700 -2.244 35.073 1.00 70.40 H new ATOM 481 N ILE A 31 -14.302 -6.286 33.233 1.00 42.52 N ATOM 482 CA ILE A 31 -13.307 -6.939 32.386 1.00 44.44 C ATOM 483 C ILE A 31 -12.279 -7.650 33.248 1.00 73.55 C ATOM 484 O ILE A 31 -12.125 -8.869 33.189 1.00 62.43 O ATOM 485 CB ILE A 31 -12.573 -5.939 31.472 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.568 -5.101 30.677 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.628 -6.674 30.533 1.00 14.54 C ATOM 488 CD1 ILE A 31 -13.086 -3.690 30.450 1.00 24.11 C ATOM 0 H ILE A 31 -14.316 -5.268 33.168 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.842 -7.651 31.758 1.00 44.44 H new ATOM 0 HB ILE A 31 -11.988 -5.268 32.101 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.751 -5.578 29.714 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.520 -5.075 31.206 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -11.117 -5.954 29.894 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.892 -7.227 31.117 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.197 -7.368 29.915 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.833 -3.138 29.879 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -12.929 -3.200 31.411 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -12.148 -3.711 29.895 1.00 24.11 H new ATOM 500 N TYR A 32 -11.589 -6.869 34.061 1.00 64.50 N ATOM 501 CA TYR A 32 -10.578 -7.395 34.961 1.00 23.32 C ATOM 502 C TYR A 32 -11.172 -8.471 35.877 1.00 71.21 C ATOM 503 O TYR A 32 -10.439 -9.254 36.482 1.00 4.24 O ATOM 504 CB TYR A 32 -9.970 -6.242 35.776 1.00 61.31 C ATOM 505 CG TYR A 32 -9.588 -6.598 37.195 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.550 -6.672 38.195 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.265 -6.853 37.535 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.204 -6.992 39.493 1.00 50.43 C ATOM 509 CE2 TYR A 32 -7.911 -7.174 38.830 1.00 31.22 C ATOM 510 CZ TYR A 32 -8.883 -7.243 39.806 1.00 75.01 C ATOM 511 OH TYR A 32 -8.534 -7.562 41.099 1.00 23.44 O ATOM 0 H TYR A 32 -11.713 -5.858 34.116 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.787 -7.866 34.377 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.083 -5.878 35.257 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.684 -5.419 35.803 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.584 -6.476 37.953 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.501 -6.799 36.773 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -10.963 -7.046 40.259 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -6.878 -7.370 39.078 1.00 31.22 H new ATOM 0 HH TYR A 32 -7.567 -7.710 41.150 1.00 23.44 H new ATOM 521 N ASN A 33 -12.502 -8.492 35.992 1.00 73.34 N ATOM 522 CA ASN A 33 -13.174 -9.465 36.859 1.00 54.32 C ATOM 523 C ASN A 33 -13.735 -10.666 36.091 1.00 71.34 C ATOM 524 O ASN A 33 -13.464 -11.815 36.440 1.00 44.01 O ATOM 525 CB ASN A 33 -14.308 -8.786 37.630 1.00 0.31 C ATOM 526 CG ASN A 33 -13.829 -8.140 38.915 1.00 15.51 C ATOM 527 OD1 ASN A 33 -12.903 -8.631 39.562 1.00 33.41 O ATOM 528 ND2 ASN A 33 -14.458 -7.034 39.291 1.00 61.25 N ATOM 0 H ASN A 33 -13.130 -7.854 35.502 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.417 -9.842 37.546 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -14.771 -8.029 36.997 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.078 -9.522 37.862 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -14.179 -6.555 40.147 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -15.220 -6.663 38.724 1.00 61.25 H new ATOM 535 N GLU A 34 -14.545 -10.398 35.071 1.00 11.44 N ATOM 536 CA GLU A 34 -15.176 -11.464 34.289 1.00 12.01 C ATOM 537 C GLU A 34 -14.374 -11.824 33.040 1.00 33.04 C ATOM 538 O GLU A 34 -14.548 -12.903 32.479 1.00 14.34 O ATOM 539 CB GLU A 34 -16.591 -11.045 33.887 1.00 14.34 C ATOM 540 CG GLU A 34 -17.528 -10.852 35.069 1.00 71.44 C ATOM 541 CD GLU A 34 -18.457 -12.031 35.273 1.00 43.43 C ATOM 542 OE1 GLU A 34 -18.960 -12.574 34.266 1.00 60.04 O ATOM 543 OE2 GLU A 34 -18.686 -12.413 36.441 1.00 51.51 O ATOM 0 H GLU A 34 -14.782 -9.454 34.765 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.212 -12.351 34.922 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.538 -10.115 33.320 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.009 -11.800 33.222 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -16.939 -10.697 35.973 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -18.120 -9.950 34.915 1.00 71.44 H new ATOM 550 N ILE A 35 -13.498 -10.931 32.606 1.00 41.23 N ATOM 551 CA ILE A 35 -12.676 -11.182 31.428 1.00 15.01 C ATOM 552 C ILE A 35 -11.251 -11.552 31.836 1.00 22.10 C ATOM 553 O ILE A 35 -10.424 -10.679 32.105 1.00 72.42 O ATOM 554 CB ILE A 35 -12.651 -9.961 30.478 1.00 65.24 C ATOM 555 CG1 ILE A 35 -14.070 -9.610 30.013 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.753 -10.231 29.277 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.888 -10.812 29.599 1.00 44.35 C ATOM 0 H ILE A 35 -13.337 -10.027 33.050 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.124 -12.019 30.892 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.246 -9.112 31.028 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.588 -9.089 30.818 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -14.007 -8.918 29.173 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.750 -9.360 28.622 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.738 -10.431 29.620 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -12.128 -11.095 28.729 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.879 -10.486 29.283 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.393 -11.322 28.773 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -14.983 -11.496 30.443 1.00 44.35 H new ATOM 569 N SER A 36 -10.976 -12.852 31.878 1.00 32.24 N ATOM 570 CA SER A 36 -9.656 -13.351 32.255 1.00 70.31 C ATOM 571 C SER A 36 -8.576 -12.792 31.333 1.00 1.11 C ATOM 572 O SER A 36 -8.875 -12.114 30.351 1.00 2.44 O ATOM 573 CB SER A 36 -9.637 -14.880 32.213 1.00 53.15 C ATOM 574 OG SER A 36 -9.572 -15.353 30.880 1.00 41.34 O ATOM 0 H SER A 36 -11.652 -13.582 31.655 1.00 32.24 H new ATOM 0 HA SER A 36 -9.446 -13.018 33.271 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.781 -15.252 32.776 1.00 53.15 H new ATOM 0 HB3 SER A 36 -10.531 -15.271 32.698 1.00 53.15 H new ATOM 0 HG SER A 36 -10.467 -15.334 30.482 1.00 41.34 H new ATOM 580 N LYS A 37 -7.319 -13.082 31.656 1.00 42.00 N ATOM 581 CA LYS A 37 -6.195 -12.608 30.856 1.00 52.25 C ATOM 582 C LYS A 37 -6.250 -13.185 29.446 1.00 52.31 C ATOM 583 O LYS A 37 -5.878 -12.523 28.476 1.00 14.05 O ATOM 584 CB LYS A 37 -4.871 -12.988 31.521 1.00 71.22 C ATOM 585 CG LYS A 37 -4.493 -12.084 32.684 1.00 2.54 C ATOM 586 CD LYS A 37 -3.138 -12.460 33.265 1.00 32.52 C ATOM 587 CE LYS A 37 -2.307 -11.227 33.593 1.00 55.32 C ATOM 588 NZ LYS A 37 -0.974 -11.265 32.929 1.00 43.10 N ATOM 0 H LYS A 37 -7.054 -13.643 32.466 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.262 -11.522 30.790 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.935 -14.016 31.877 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -4.077 -12.957 30.775 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -4.471 -11.047 32.348 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -5.255 -12.151 33.461 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -3.281 -13.054 34.168 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.598 -13.085 32.554 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -2.844 -10.332 33.278 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -2.173 -11.155 34.672 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -0.438 -10.409 33.177 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -0.451 -12.105 33.248 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -1.101 -11.308 31.898 1.00 43.10 H new ATOM 602 N GLU A 38 -6.711 -14.427 29.338 1.00 41.40 N ATOM 603 CA GLU A 38 -6.810 -15.097 28.048 1.00 54.20 C ATOM 604 C GLU A 38 -7.850 -14.426 27.154 1.00 31.43 C ATOM 605 O GLU A 38 -7.629 -14.256 25.955 1.00 60.21 O ATOM 606 CB GLU A 38 -7.163 -16.572 28.245 1.00 41.40 C ATOM 607 CG GLU A 38 -6.503 -17.496 27.234 1.00 62.41 C ATOM 608 CD GLU A 38 -7.420 -18.615 26.782 1.00 30.14 C ATOM 609 OE1 GLU A 38 -8.647 -18.388 26.719 1.00 72.33 O ATOM 610 OE2 GLU A 38 -6.912 -19.718 26.490 1.00 54.15 O ATOM 0 H GLU A 38 -7.022 -14.990 30.130 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.840 -15.022 27.556 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -6.869 -16.876 29.249 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.245 -16.690 28.180 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -6.190 -16.915 26.367 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -5.602 -17.924 27.673 1.00 62.41 H new ATOM 617 N ALA A 39 -8.982 -14.048 27.740 1.00 51.41 N ATOM 618 CA ALA A 39 -10.051 -13.397 26.989 1.00 63.44 C ATOM 619 C ALA A 39 -9.636 -11.997 26.549 1.00 13.12 C ATOM 620 O ALA A 39 -9.975 -11.553 25.451 1.00 44.04 O ATOM 621 CB ALA A 39 -11.323 -13.334 27.824 1.00 12.31 C ATOM 0 H ALA A 39 -9.183 -14.181 28.731 1.00 51.41 H new ATOM 0 HA ALA A 39 -10.246 -13.990 26.095 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -12.111 -12.846 27.250 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.637 -14.345 28.085 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.133 -12.766 28.735 1.00 12.31 H new ATOM 627 N TRP A 40 -8.899 -11.309 27.413 1.00 21.45 N ATOM 628 CA TRP A 40 -8.429 -9.959 27.120 1.00 64.40 C ATOM 629 C TRP A 40 -7.454 -9.969 25.948 1.00 11.24 C ATOM 630 O TRP A 40 -7.508 -9.102 25.076 1.00 3.30 O ATOM 631 CB TRP A 40 -7.755 -9.361 28.357 1.00 22.34 C ATOM 632 CG TRP A 40 -7.565 -7.874 28.290 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.391 -7.194 28.437 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.579 -6.887 28.068 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.613 -5.841 28.323 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.948 -5.626 28.096 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.959 -6.942 27.847 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.650 -4.436 27.915 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.654 -5.760 27.665 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.999 -4.523 27.702 1.00 72.40 C ATOM 0 H TRP A 40 -8.613 -11.665 28.325 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.288 -9.346 26.848 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.353 -9.601 29.236 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.783 -9.835 28.494 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.429 -7.651 28.616 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.900 -5.115 28.396 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.473 -7.891 27.819 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -8.148 -3.480 27.942 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.719 -5.792 27.491 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -10.571 -3.618 27.559 1.00 72.40 H new ATOM 651 N ALA A 41 -6.570 -10.960 25.927 1.00 22.20 N ATOM 652 CA ALA A 41 -5.588 -11.085 24.857 1.00 53.14 C ATOM 653 C ALA A 41 -6.271 -11.265 23.505 1.00 42.33 C ATOM 654 O ALA A 41 -5.688 -10.988 22.458 1.00 53.05 O ATOM 655 CB ALA A 41 -4.647 -12.248 25.141 1.00 23.01 C ATOM 0 H ALA A 41 -6.513 -11.688 26.639 1.00 22.20 H new ATOM 0 HA ALA A 41 -5.006 -10.164 24.817 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.918 -12.331 24.335 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -4.128 -12.074 26.083 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.221 -13.172 25.208 1.00 23.01 H new ATOM 661 N GLN A 42 -7.518 -11.724 23.541 1.00 45.32 N ATOM 662 CA GLN A 42 -8.297 -11.934 22.329 1.00 24.31 C ATOM 663 C GLN A 42 -8.945 -10.629 21.874 1.00 23.11 C ATOM 664 O GLN A 42 -9.210 -10.435 20.687 1.00 73.11 O ATOM 665 CB GLN A 42 -9.362 -13.001 22.579 1.00 64.34 C ATOM 666 CG GLN A 42 -8.817 -14.247 23.259 1.00 12.21 C ATOM 667 CD GLN A 42 -9.372 -15.529 22.669 1.00 5.23 C ATOM 668 OE1 GLN A 42 -9.634 -15.611 21.470 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.551 -16.541 23.511 1.00 44.42 N ATOM 0 H GLN A 42 -8.012 -11.958 24.402 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.631 -12.276 21.537 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -10.154 -12.576 23.195 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.814 -13.283 21.628 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.730 -14.255 23.176 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -9.055 -14.209 24.322 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -9.320 -16.430 24.498 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -9.919 -17.429 23.170 1.00 44.42 H new ATOM 678 N TRP A 43 -9.193 -9.738 22.829 1.00 55.12 N ATOM 679 CA TRP A 43 -9.805 -8.448 22.537 1.00 54.33 C ATOM 680 C TRP A 43 -8.748 -7.441 22.094 1.00 32.20 C ATOM 681 O TRP A 43 -8.929 -6.736 21.104 1.00 45.45 O ATOM 682 CB TRP A 43 -10.545 -7.934 23.774 1.00 21.24 C ATOM 683 CG TRP A 43 -10.751 -6.449 23.792 1.00 14.31 C ATOM 684 CD1 TRP A 43 -10.220 -5.563 24.685 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.536 -5.677 22.877 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.640 -4.290 24.390 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.446 -4.334 23.285 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.310 -5.989 21.754 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -12.100 -3.309 22.614 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.957 -4.965 21.085 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.849 -3.638 21.518 1.00 23.41 C ATOM 0 H TRP A 43 -8.978 -9.887 23.815 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.518 -8.574 21.723 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.516 -8.425 23.833 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.987 -8.223 24.664 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.566 -5.825 25.503 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.392 -3.448 24.910 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.401 -7.011 21.415 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -12.020 -2.285 22.947 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.555 -5.193 20.215 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -13.367 -2.860 20.977 1.00 23.41 H new ATOM 702 N GLN A 44 -7.648 -7.378 22.836 1.00 51.52 N ATOM 703 CA GLN A 44 -6.560 -6.455 22.519 1.00 3.30 C ATOM 704 C GLN A 44 -6.199 -6.528 21.037 1.00 74.45 C ATOM 705 O GLN A 44 -5.975 -5.506 20.388 1.00 32.54 O ATOM 706 CB GLN A 44 -5.328 -6.769 23.373 1.00 73.54 C ATOM 707 CG GLN A 44 -5.595 -6.719 24.870 1.00 4.42 C ATOM 708 CD GLN A 44 -5.629 -5.305 25.415 1.00 41.44 C ATOM 709 OE1 GLN A 44 -4.643 -4.816 25.967 1.00 2.02 O ATOM 710 NE2 GLN A 44 -6.768 -4.640 25.264 1.00 2.33 N ATOM 0 H GLN A 44 -7.484 -7.954 23.662 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.899 -5.444 22.743 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.958 -7.760 23.111 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.537 -6.059 23.130 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.546 -7.208 25.081 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -4.823 -7.286 25.391 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -7.560 -5.084 24.800 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -6.851 -3.685 25.612 1.00 2.33 H new ATOM 719 N HIS A 45 -6.155 -7.748 20.507 1.00 5.13 N ATOM 720 CA HIS A 45 -5.836 -7.964 19.100 1.00 12.51 C ATOM 721 C HIS A 45 -6.940 -7.396 18.213 1.00 52.13 C ATOM 722 O HIS A 45 -6.676 -6.642 17.276 1.00 22.04 O ATOM 723 CB HIS A 45 -5.647 -9.462 18.831 1.00 61.45 C ATOM 724 CG HIS A 45 -5.722 -9.832 17.382 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.619 -9.894 16.559 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.784 -10.161 16.608 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.994 -10.243 15.342 1.00 42.21 C ATOM 728 NE2 HIS A 45 -6.304 -10.411 15.345 1.00 45.21 N ATOM 0 H HIS A 45 -6.337 -8.603 21.033 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.906 -7.446 18.864 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.680 -9.773 19.226 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.408 -10.018 19.378 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.815 -10.216 16.924 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -4.342 -10.369 14.491 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -6.868 -10.682 14.540 1.00 45.21 H new ATOM 736 N LYS A 46 -8.180 -7.757 18.520 1.00 55.53 N ATOM 737 CA LYS A 46 -9.325 -7.273 17.757 1.00 40.11 C ATOM 738 C LYS A 46 -9.542 -5.784 18.016 1.00 73.41 C ATOM 739 O LYS A 46 -10.204 -5.102 17.240 1.00 51.20 O ATOM 740 CB LYS A 46 -10.585 -8.061 18.125 1.00 2.14 C ATOM 741 CG LYS A 46 -11.828 -7.609 17.373 1.00 34.23 C ATOM 742 CD LYS A 46 -12.056 -8.436 16.119 1.00 13.22 C ATOM 743 CE LYS A 46 -13.153 -7.839 15.252 1.00 12.15 C ATOM 744 NZ LYS A 46 -12.758 -7.768 13.817 1.00 74.13 N ATOM 0 H LYS A 46 -8.419 -8.382 19.290 1.00 55.53 H new ATOM 0 HA LYS A 46 -9.120 -7.419 16.696 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.414 -9.119 17.924 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.764 -7.965 19.196 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.698 -7.689 18.025 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.728 -6.558 17.103 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.130 -8.495 15.547 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -12.324 -9.455 16.397 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -14.058 -8.439 15.349 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.394 -6.838 15.611 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -13.529 -7.339 13.266 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -11.900 -7.188 13.721 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -12.570 -8.727 13.461 1.00 74.13 H new ATOM 758 N GLN A 47 -8.987 -5.292 19.116 1.00 52.34 N ATOM 759 CA GLN A 47 -9.121 -3.890 19.485 1.00 41.35 C ATOM 760 C GLN A 47 -8.178 -3.011 18.667 1.00 55.42 C ATOM 761 O GLN A 47 -8.613 -2.104 17.959 1.00 61.23 O ATOM 762 CB GLN A 47 -8.834 -3.720 20.980 1.00 50.34 C ATOM 763 CG GLN A 47 -8.827 -2.274 21.446 1.00 75.45 C ATOM 764 CD GLN A 47 -7.725 -1.992 22.447 1.00 54.04 C ATOM 765 OE1 GLN A 47 -6.664 -1.478 22.093 1.00 60.30 O ATOM 766 NE2 GLN A 47 -7.969 -2.331 23.707 1.00 24.34 N ATOM 0 H GLN A 47 -8.437 -5.847 19.771 1.00 52.34 H new ATOM 0 HA GLN A 47 -10.143 -3.575 19.272 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.583 -4.271 21.549 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.867 -4.169 21.208 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -8.706 -1.618 20.584 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.791 -2.036 21.895 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -8.862 -2.755 23.957 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -7.263 -2.168 24.425 1.00 24.34 H new ATOM 775 N THR A 48 -6.881 -3.278 18.785 1.00 2.31 N ATOM 776 CA THR A 48 -5.864 -2.509 18.076 1.00 41.14 C ATOM 777 C THR A 48 -6.205 -2.333 16.596 1.00 32.32 C ATOM 778 O THR A 48 -5.829 -1.334 15.984 1.00 11.51 O ATOM 779 CB THR A 48 -4.499 -3.190 18.217 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.486 -2.455 17.549 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.481 -4.598 17.670 1.00 22.44 C ATOM 0 H THR A 48 -6.508 -4.026 19.369 1.00 2.31 H new ATOM 0 HA THR A 48 -5.830 -1.517 18.527 1.00 41.14 H new ATOM 0 HB THR A 48 -4.308 -3.225 19.289 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.626 -2.912 17.657 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.487 -5.026 17.799 1.00 22.44 H new ATOM 0 HG22 THR A 48 -5.210 -5.206 18.206 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.733 -4.580 16.610 1.00 22.44 H new ATOM 789 N MET A 49 -6.913 -3.303 16.020 1.00 63.31 N ATOM 790 CA MET A 49 -7.287 -3.228 14.608 1.00 24.21 C ATOM 791 C MET A 49 -8.460 -2.276 14.397 1.00 40.42 C ATOM 792 O MET A 49 -8.520 -1.572 13.388 1.00 5.35 O ATOM 793 CB MET A 49 -7.627 -4.615 14.049 1.00 25.43 C ATOM 794 CG MET A 49 -8.482 -5.467 14.973 1.00 13.45 C ATOM 795 SD MET A 49 -10.007 -6.036 14.191 1.00 74.20 S ATOM 796 CE MET A 49 -9.370 -7.257 13.043 1.00 41.13 C ATOM 0 H MET A 49 -7.236 -4.141 16.502 1.00 63.31 H new ATOM 0 HA MET A 49 -6.425 -2.839 14.066 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.148 -4.494 13.099 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.699 -5.147 13.838 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.904 -6.331 15.302 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.730 -4.891 15.865 1.00 13.45 H new ATOM 0 HE1 MET A 49 -10.196 -7.698 12.485 1.00 41.13 H new ATOM 0 HE2 MET A 49 -8.678 -6.778 12.350 1.00 41.13 H new ATOM 0 HE3 MET A 49 -8.847 -8.038 13.595 1.00 41.13 H new ATOM 806 N LEU A 50 -9.387 -2.248 15.349 1.00 10.12 N ATOM 807 CA LEU A 50 -10.543 -1.366 15.249 1.00 72.50 C ATOM 808 C LEU A 50 -10.102 0.089 15.320 1.00 24.05 C ATOM 809 O LEU A 50 -10.581 0.930 14.566 1.00 31.33 O ATOM 810 CB LEU A 50 -11.554 -1.664 16.360 1.00 35.02 C ATOM 811 CG LEU A 50 -12.146 -3.074 16.334 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.953 -3.338 17.596 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.006 -3.273 15.094 1.00 64.03 C ATOM 0 H LEU A 50 -9.361 -2.821 16.192 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.026 -1.545 14.288 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -11.069 -1.508 17.324 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.369 -0.943 16.292 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.325 -3.790 16.297 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.366 -4.346 17.559 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -12.306 -3.242 18.468 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.766 -2.615 17.666 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.418 -4.282 15.095 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -13.821 -2.549 15.096 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -12.396 -3.130 14.202 1.00 64.03 H new ATOM 825 N ILE A 51 -9.175 0.377 16.223 1.00 21.21 N ATOM 826 CA ILE A 51 -8.663 1.731 16.383 1.00 51.32 C ATOM 827 C ILE A 51 -7.970 2.198 15.107 1.00 51.43 C ATOM 828 O ILE A 51 -8.142 3.336 14.673 1.00 23.00 O ATOM 829 CB ILE A 51 -7.681 1.817 17.570 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.386 1.377 18.857 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.122 3.228 17.710 1.00 5.23 C ATOM 832 CD1 ILE A 51 -7.539 1.541 20.101 1.00 32.24 C ATOM 0 H ILE A 51 -8.762 -0.308 16.856 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.512 2.383 16.586 1.00 51.32 H new ATOM 0 HB ILE A 51 -6.842 1.147 17.383 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -9.303 1.954 18.974 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -8.677 0.331 18.762 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.432 3.264 18.553 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.594 3.502 16.797 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -7.940 3.928 17.880 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.104 1.209 20.972 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -6.633 0.942 20.006 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.269 2.590 20.222 1.00 32.24 H new ATOM 844 N ASN A 52 -7.187 1.308 14.512 1.00 53.30 N ATOM 845 CA ASN A 52 -6.466 1.621 13.285 1.00 52.52 C ATOM 846 C ASN A 52 -7.409 1.636 12.085 1.00 23.31 C ATOM 847 O ASN A 52 -7.254 2.449 11.174 1.00 63.50 O ATOM 848 CB ASN A 52 -5.348 0.603 13.058 1.00 74.33 C ATOM 849 CG ASN A 52 -4.085 0.950 13.822 1.00 12.23 C ATOM 850 OD1 ASN A 52 -3.630 2.093 13.805 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.512 -0.040 14.497 1.00 75.53 N ATOM 0 H ASN A 52 -7.035 0.361 14.860 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.031 2.615 13.391 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -5.693 -0.385 13.362 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.121 0.548 11.993 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -2.659 0.132 15.030 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -3.925 -0.973 14.483 1.00 75.53 H new ATOM 858 N GLU A 53 -8.383 0.730 12.088 1.00 22.35 N ATOM 859 CA GLU A 53 -9.346 0.639 10.994 1.00 2.12 C ATOM 860 C GLU A 53 -10.418 1.721 11.110 1.00 0.01 C ATOM 861 O GLU A 53 -10.640 2.491 10.175 1.00 44.44 O ATOM 862 CB GLU A 53 -10.002 -0.740 10.980 1.00 54.44 C ATOM 863 CG GLU A 53 -10.601 -1.112 9.635 1.00 72.53 C ATOM 864 CD GLU A 53 -10.305 -2.545 9.241 1.00 60.14 C ATOM 865 OE1 GLU A 53 -9.112 -2.897 9.134 1.00 64.12 O ATOM 866 OE2 GLU A 53 -11.266 -3.316 9.038 1.00 3.25 O ATOM 0 H GLU A 53 -8.526 0.050 12.834 1.00 22.35 H new ATOM 0 HA GLU A 53 -8.806 0.791 10.060 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -9.261 -1.489 11.258 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -10.785 -0.769 11.738 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -11.680 -0.964 9.669 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -10.211 -0.441 8.870 1.00 72.53 H new ATOM 873 N LYS A 54 -11.075 1.778 12.265 1.00 2.21 N ATOM 874 CA LYS A 54 -12.117 2.773 12.500 1.00 51.31 C ATOM 875 C LYS A 54 -11.507 4.152 12.733 1.00 13.10 C ATOM 876 O LYS A 54 -12.216 5.156 12.768 1.00 20.24 O ATOM 877 CB LYS A 54 -12.982 2.379 13.702 1.00 24.31 C ATOM 878 CG LYS A 54 -13.967 1.255 13.411 1.00 71.11 C ATOM 879 CD LYS A 54 -13.322 -0.115 13.561 1.00 44.52 C ATOM 880 CE LYS A 54 -13.971 -1.138 12.644 1.00 52.22 C ATOM 881 NZ LYS A 54 -15.266 -1.630 13.189 1.00 54.31 N ATOM 0 H LYS A 54 -10.905 1.149 13.050 1.00 2.21 H new ATOM 0 HA LYS A 54 -12.746 2.813 11.611 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.331 2.075 14.522 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.535 3.255 14.042 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -14.817 1.332 14.089 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -14.355 1.365 12.398 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -12.258 -0.044 13.334 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -13.406 -0.447 14.596 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.136 -0.693 11.663 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -13.293 -1.980 12.502 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -15.348 -2.653 13.019 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -15.305 -1.445 14.212 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -16.051 -1.137 12.718 1.00 54.31 H new ATOM 895 N LYS A 55 -10.184 4.193 12.891 1.00 43.42 N ATOM 896 CA LYS A 55 -9.477 5.446 13.119 1.00 74.11 C ATOM 897 C LYS A 55 -9.909 6.095 14.430 1.00 31.21 C ATOM 898 O LYS A 55 -10.478 7.187 14.437 1.00 5.25 O ATOM 899 CB LYS A 55 -9.710 6.406 11.949 1.00 72.23 C ATOM 900 CG LYS A 55 -8.782 6.160 10.769 1.00 12.00 C ATOM 901 CD LYS A 55 -9.480 6.434 9.446 1.00 1.15 C ATOM 902 CE LYS A 55 -9.127 5.388 8.400 1.00 24.22 C ATOM 903 NZ LYS A 55 -8.738 6.008 7.103 1.00 61.25 N ATOM 0 H LYS A 55 -9.583 3.370 12.865 1.00 43.42 H new ATOM 0 HA LYS A 55 -8.412 5.224 13.190 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -10.743 6.314 11.614 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -9.578 7.430 12.298 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -7.903 6.798 10.857 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -8.431 5.128 10.790 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -10.559 6.447 9.599 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -9.198 7.422 9.083 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -8.308 4.770 8.767 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -9.980 4.727 8.245 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -8.505 5.261 6.417 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -9.529 6.578 6.739 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -7.908 6.619 7.245 1.00 61.25 H new ATOM 917 N LEU A 56 -9.624 5.424 15.543 1.00 30.41 N ATOM 918 CA LEU A 56 -9.969 5.942 16.861 1.00 52.41 C ATOM 919 C LEU A 56 -8.835 6.815 17.397 1.00 51.14 C ATOM 920 O LEU A 56 -7.898 7.140 16.668 1.00 44.51 O ATOM 921 CB LEU A 56 -10.259 4.787 17.826 1.00 75.54 C ATOM 922 CG LEU A 56 -11.514 3.970 17.506 1.00 34.35 C ATOM 923 CD1 LEU A 56 -11.734 2.897 18.561 1.00 32.03 C ATOM 924 CD2 LEU A 56 -12.735 4.876 17.403 1.00 14.14 C ATOM 0 H LEU A 56 -9.154 4.519 15.557 1.00 30.41 H new ATOM 0 HA LEU A 56 -10.867 6.554 16.774 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.400 4.116 17.833 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.355 5.192 18.833 1.00 75.54 H new ATOM 0 HG LEU A 56 -11.368 3.482 16.542 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -12.630 2.326 18.318 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -10.873 2.229 18.585 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -11.857 3.366 19.537 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -13.616 4.275 17.175 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -12.884 5.394 18.350 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -12.580 5.607 16.610 1.00 14.14 H new ATOM 936 N ASN A 57 -8.919 7.194 18.668 1.00 32.03 N ATOM 937 CA ASN A 57 -7.895 8.029 19.283 1.00 20.43 C ATOM 938 C ASN A 57 -7.912 7.884 20.803 1.00 1.23 C ATOM 939 O ASN A 57 -8.710 8.522 21.488 1.00 1.02 O ATOM 940 CB ASN A 57 -8.106 9.495 18.895 1.00 15.31 C ATOM 941 CG ASN A 57 -6.811 10.187 18.519 1.00 61.42 C ATOM 942 OD1 ASN A 57 -6.313 11.040 19.254 1.00 54.21 O ATOM 943 ND2 ASN A 57 -6.258 9.824 17.367 1.00 70.12 N ATOM 0 H ASN A 57 -9.685 6.936 19.291 1.00 32.03 H new ATOM 0 HA ASN A 57 -6.923 7.698 18.918 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -8.800 9.549 18.056 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.569 10.025 19.727 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -5.387 10.257 17.061 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -6.705 9.113 16.789 1.00 70.12 H new ATOM 950 N MET A 58 -7.024 7.040 21.320 1.00 5.10 N ATOM 951 CA MET A 58 -6.933 6.807 22.762 1.00 4.22 C ATOM 952 C MET A 58 -6.773 8.118 23.531 1.00 4.32 C ATOM 953 O MET A 58 -7.043 8.177 24.731 1.00 31.45 O ATOM 954 CB MET A 58 -5.767 5.865 23.093 1.00 30.22 C ATOM 955 CG MET A 58 -4.531 6.075 22.227 1.00 34.55 C ATOM 956 SD MET A 58 -4.034 4.590 21.330 1.00 24.45 S ATOM 957 CE MET A 58 -5.618 3.956 20.782 1.00 24.34 C ATOM 0 H MET A 58 -6.357 6.505 20.764 1.00 5.10 H new ATOM 0 HA MET A 58 -7.867 6.338 23.072 1.00 4.22 H new ATOM 0 HB2 MET A 58 -5.491 5.999 24.139 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.104 4.834 22.982 1.00 30.22 H new ATOM 0 HG2 MET A 58 -4.727 6.875 21.513 1.00 34.55 H new ATOM 0 HG3 MET A 58 -3.705 6.405 22.857 1.00 34.55 H new ATOM 0 HE1 MET A 58 -5.459 3.158 20.057 1.00 24.34 H new ATOM 0 HE2 MET A 58 -6.169 3.565 21.637 1.00 24.34 H new ATOM 0 HE3 MET A 58 -6.191 4.759 20.318 1.00 24.34 H new ATOM 967 N MET A 59 -6.336 9.169 22.840 1.00 1.01 N ATOM 968 CA MET A 59 -6.149 10.472 23.469 1.00 74.53 C ATOM 969 C MET A 59 -7.449 11.281 23.476 1.00 71.54 C ATOM 970 O MET A 59 -7.436 12.484 23.733 1.00 44.32 O ATOM 971 CB MET A 59 -5.052 11.255 22.744 1.00 2.02 C ATOM 972 CG MET A 59 -4.026 11.867 23.684 1.00 24.22 C ATOM 973 SD MET A 59 -2.416 12.092 22.905 1.00 11.43 S ATOM 974 CE MET A 59 -1.479 12.783 24.266 1.00 3.04 C ATOM 0 H MET A 59 -6.106 9.143 21.847 1.00 1.01 H new ATOM 0 HA MET A 59 -5.850 10.303 24.503 1.00 74.53 H new ATOM 0 HB2 MET A 59 -4.543 10.591 22.045 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.511 12.048 22.153 1.00 2.02 H new ATOM 0 HG2 MET A 59 -4.392 12.831 24.037 1.00 24.22 H new ATOM 0 HG3 MET A 59 -3.915 11.228 24.560 1.00 24.22 H new ATOM 0 HE1 MET A 59 -0.457 12.978 23.942 1.00 3.04 H new ATOM 0 HE2 MET A 59 -1.942 13.715 24.590 1.00 3.04 H new ATOM 0 HE3 MET A 59 -1.468 12.076 25.096 1.00 3.04 H new ATOM 984 N ASN A 60 -8.568 10.616 23.195 1.00 72.24 N ATOM 985 CA ASN A 60 -9.867 11.280 23.173 1.00 13.25 C ATOM 986 C ASN A 60 -10.943 10.374 23.766 1.00 2.34 C ATOM 987 O ASN A 60 -11.117 9.236 23.330 1.00 73.54 O ATOM 988 CB ASN A 60 -10.240 11.672 21.742 1.00 54.23 C ATOM 989 CG ASN A 60 -10.454 13.165 21.586 1.00 60.15 C ATOM 990 OD1 ASN A 60 -9.516 13.912 21.307 1.00 45.25 O ATOM 991 ND2 ASN A 60 -11.693 13.608 21.768 1.00 43.22 N ATOM 0 H ASN A 60 -8.600 9.619 22.980 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.800 12.183 23.779 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.451 11.348 21.063 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -11.148 11.145 21.450 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -11.897 14.603 21.678 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.440 12.953 21.998 1.00 43.22 H new ATOM 998 N ALA A 61 -11.661 10.885 24.760 1.00 10.14 N ATOM 999 CA ALA A 61 -12.720 10.118 25.408 1.00 75.00 C ATOM 1000 C ALA A 61 -13.779 9.680 24.405 1.00 54.22 C ATOM 1001 O ALA A 61 -14.343 8.592 24.518 1.00 53.14 O ATOM 1002 CB ALA A 61 -13.355 10.935 26.523 1.00 34.33 C ATOM 0 H ALA A 61 -11.530 11.825 25.134 1.00 10.14 H new ATOM 0 HA ALA A 61 -12.272 9.221 25.836 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -14.143 10.351 26.998 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -12.597 11.191 27.263 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.780 11.849 26.108 1.00 34.33 H new ATOM 1008 N GLU A 62 -14.048 10.536 23.422 1.00 55.43 N ATOM 1009 CA GLU A 62 -15.045 10.240 22.398 1.00 72.21 C ATOM 1010 C GLU A 62 -14.784 8.883 21.751 1.00 14.54 C ATOM 1011 O GLU A 62 -15.706 8.090 21.556 1.00 50.50 O ATOM 1012 CB GLU A 62 -15.048 11.335 21.330 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.433 11.864 21.008 1.00 22.12 C ATOM 1014 CD GLU A 62 -16.845 13.009 21.912 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -16.561 14.174 21.559 1.00 50.21 O ATOM 1016 OE2 GLU A 62 -17.448 12.742 22.972 1.00 1.12 O ATOM 0 H GLU A 62 -13.589 11.440 23.314 1.00 55.43 H new ATOM 0 HA GLU A 62 -16.022 10.206 22.880 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.422 12.161 21.667 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.597 10.943 20.418 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -16.458 12.198 19.971 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -17.157 11.055 21.100 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.525 8.623 21.422 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.144 7.362 20.799 1.00 60.41 C ATOM 1025 C HIS A 63 -12.901 6.289 21.853 1.00 12.50 C ATOM 1026 O HIS A 63 -13.262 5.127 21.667 1.00 40.22 O ATOM 1027 CB HIS A 63 -11.886 7.542 19.952 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.118 8.283 18.672 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.097 8.647 17.822 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.260 8.728 18.095 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -11.595 9.281 16.778 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -12.907 9.344 16.918 1.00 33.54 N ATOM 0 H HIS A 63 -12.750 9.269 21.576 1.00 50.11 H new ATOM 0 HA HIS A 63 -13.965 7.045 20.156 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.138 8.075 20.539 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.471 6.561 19.722 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.261 8.619 18.487 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.027 9.680 15.950 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.553 9.779 16.260 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.283 6.686 22.961 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.984 5.766 24.049 1.00 25.03 C ATOM 1042 C ARG A 64 -13.215 4.943 24.421 1.00 71.40 C ATOM 1043 O ARG A 64 -13.135 3.724 24.579 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.481 6.545 25.265 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.259 5.925 25.923 1.00 33.11 C ATOM 1046 CD ARG A 64 -9.185 6.967 26.198 1.00 61.24 C ATOM 1047 NE ARG A 64 -9.499 7.778 27.374 1.00 14.00 N ATOM 1048 CZ ARG A 64 -8.799 7.757 28.510 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -7.739 6.969 28.640 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -9.167 8.532 29.522 1.00 33.54 N ATOM 0 H ARG A 64 -11.979 7.645 23.128 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.206 5.079 23.717 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -11.241 7.563 24.960 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -12.283 6.613 26.000 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.551 5.447 26.858 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -9.854 5.145 25.279 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -8.226 6.470 26.346 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -9.077 7.615 25.328 1.00 61.24 H new ATOM 0 HE ARG A 64 -10.306 8.400 27.322 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -7.451 6.370 27.866 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -7.213 6.962 29.514 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -9.981 9.140 29.429 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -8.636 8.520 30.393 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.352 5.617 24.551 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.599 4.947 24.891 1.00 31.33 C ATOM 1066 C LYS A 65 -16.019 3.995 23.775 1.00 61.24 C ATOM 1067 O LYS A 65 -16.642 2.964 24.029 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.703 5.973 25.152 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.982 6.881 23.966 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.425 7.356 23.961 1.00 51.14 C ATOM 1071 CE LYS A 65 -19.382 6.214 23.659 1.00 42.14 C ATOM 1072 NZ LYS A 65 -20.759 6.701 23.373 1.00 60.30 N ATOM 0 H LYS A 65 -14.435 6.626 24.426 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.438 4.367 25.800 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.620 5.448 25.420 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.424 6.585 26.010 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.314 7.742 23.999 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.769 6.348 23.039 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.670 7.792 24.930 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.548 8.143 23.217 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -19.013 5.648 22.804 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -19.408 5.529 24.507 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -21.379 5.891 23.172 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -21.122 7.219 24.198 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -20.739 7.334 22.548 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.664 4.342 22.538 1.00 15.23 N ATOM 1087 CA LEU A 66 -15.999 3.509 21.385 1.00 65.44 C ATOM 1088 C LEU A 66 -15.496 2.086 21.591 1.00 64.34 C ATOM 1089 O LEU A 66 -16.203 1.118 21.310 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.399 4.095 20.103 1.00 3.13 C ATOM 1091 CG LEU A 66 -16.312 4.023 18.873 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -16.771 5.414 18.466 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -15.606 3.333 17.712 1.00 64.02 C ATOM 0 H LEU A 66 -15.147 5.191 22.310 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.084 3.488 21.285 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.139 5.138 20.284 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -14.471 3.569 19.880 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.189 3.433 19.137 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -17.418 5.342 17.592 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -17.322 5.871 19.288 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -15.903 6.028 18.226 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -16.274 3.294 16.851 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -14.707 3.891 17.449 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.331 2.319 18.004 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.273 1.967 22.098 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.679 0.664 22.358 1.00 22.20 C ATOM 1107 C LEU A 67 -14.543 -0.113 23.347 1.00 1.33 C ATOM 1108 O LEU A 67 -14.809 -1.299 23.160 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.264 0.832 22.911 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.181 0.021 22.200 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -11.021 0.469 20.757 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -9.866 0.130 22.952 1.00 25.32 C ATOM 0 H LEU A 67 -13.675 2.758 22.336 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.624 0.106 21.423 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -11.996 1.887 22.861 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -12.269 0.554 23.965 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.487 -1.025 22.188 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -10.244 -0.125 20.276 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -11.963 0.332 20.227 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -10.741 1.522 20.732 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -9.102 -0.452 22.436 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -9.558 1.175 22.997 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -9.993 -0.254 23.964 1.00 25.32 H new ATOM 1124 N GLU A 68 -14.991 0.576 24.393 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.841 -0.032 25.410 1.00 31.11 C ATOM 1126 C GLU A 68 -17.129 -0.560 24.779 1.00 33.44 C ATOM 1127 O GLU A 68 -17.801 -1.422 25.344 1.00 63.34 O ATOM 1128 CB GLU A 68 -16.160 0.991 26.508 1.00 31.53 C ATOM 1129 CG GLU A 68 -17.345 0.615 27.388 1.00 52.31 C ATOM 1130 CD GLU A 68 -18.646 1.221 26.903 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -18.639 2.409 26.512 1.00 41.25 O ATOM 1132 OE2 GLU A 68 -19.673 0.510 26.912 1.00 60.33 O ATOM 0 H GLU A 68 -14.778 1.560 24.558 1.00 45.01 H new ATOM 0 HA GLU A 68 -15.309 -0.871 25.859 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -15.280 1.117 27.138 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -16.360 1.956 26.043 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -17.442 -0.470 27.416 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -17.153 0.944 28.409 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.464 -0.035 23.602 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.665 -0.450 22.890 1.00 31.33 C ATOM 1141 C GLN A 69 -18.431 -1.757 22.139 1.00 54.04 C ATOM 1142 O GLN A 69 -19.166 -2.728 22.316 1.00 73.31 O ATOM 1143 CB GLN A 69 -19.093 0.642 21.908 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.535 0.509 21.444 1.00 52.05 C ATOM 1145 CD GLN A 69 -21.529 0.942 22.502 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -21.962 2.095 22.530 1.00 75.11 O ATOM 1147 NE2 GLN A 69 -21.898 0.018 23.381 1.00 70.13 N ATOM 0 H GLN A 69 -16.917 0.680 23.122 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.457 -0.611 23.622 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -18.960 1.616 22.379 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.436 0.616 21.039 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -20.681 1.110 20.546 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.730 -0.528 21.169 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -21.514 -0.925 23.321 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -22.565 0.251 24.116 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.404 -1.769 21.295 1.00 3.11 N ATOM 1157 CA GLU A 70 -17.073 -2.950 20.507 1.00 33.15 C ATOM 1158 C GLU A 70 -16.648 -4.112 21.398 1.00 4.01 C ATOM 1159 O GLU A 70 -17.087 -5.246 21.204 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.956 -2.628 19.512 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.430 -1.852 18.294 1.00 12.23 C ATOM 1162 CD GLU A 70 -16.242 -2.623 17.001 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -16.412 -3.860 17.018 1.00 22.20 O ATOM 1164 OE2 GLU A 70 -15.927 -1.989 15.972 1.00 42.42 O ATOM 0 H GLU A 70 -16.786 -0.973 21.139 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.970 -3.246 19.963 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -15.183 -2.052 20.021 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.495 -3.559 19.182 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -17.484 -1.603 18.414 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -15.885 -0.910 18.233 1.00 12.23 H new ATOM 1171 N MET A 71 -15.778 -3.831 22.369 1.00 72.11 N ATOM 1172 CA MET A 71 -15.283 -4.864 23.277 1.00 42.11 C ATOM 1173 C MET A 71 -16.411 -5.765 23.786 1.00 0.22 C ATOM 1174 O MET A 71 -16.289 -6.988 23.757 1.00 15.12 O ATOM 1175 CB MET A 71 -14.513 -4.226 24.446 1.00 44.14 C ATOM 1176 CG MET A 71 -15.164 -4.387 25.813 1.00 2.34 C ATOM 1177 SD MET A 71 -13.997 -4.133 27.163 1.00 23.31 S ATOM 1178 CE MET A 71 -13.411 -2.482 26.795 1.00 23.35 C ATOM 0 H MET A 71 -15.403 -2.899 22.546 1.00 72.11 H new ATOM 0 HA MET A 71 -14.598 -5.499 22.715 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.514 -4.661 24.483 1.00 44.14 H new ATOM 0 HB3 MET A 71 -14.390 -3.162 24.242 1.00 44.14 H new ATOM 0 HG2 MET A 71 -15.985 -3.676 25.907 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.595 -5.385 25.892 1.00 2.34 H new ATOM 0 HE1 MET A 71 -12.373 -2.385 27.113 1.00 23.35 H new ATOM 0 HE2 MET A 71 -13.480 -2.302 25.722 1.00 23.35 H new ATOM 0 HE3 MET A 71 -14.023 -1.752 27.325 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.505 -5.165 24.254 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.629 -5.947 24.764 1.00 11.44 C ATOM 1190 C VAL A 72 -19.037 -7.010 23.755 1.00 55.10 C ATOM 1191 O VAL A 72 -19.025 -8.202 24.053 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.851 -5.061 25.083 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -21.025 -5.905 25.580 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.483 -4.003 26.108 1.00 54.21 C ATOM 0 H VAL A 72 -17.636 -4.154 24.290 1.00 73.42 H new ATOM 0 HA VAL A 72 -18.295 -6.418 25.688 1.00 11.44 H new ATOM 0 HB VAL A 72 -20.160 -4.563 24.164 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.873 -5.256 25.798 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -21.307 -6.625 24.812 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.733 -6.437 26.486 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.355 -3.386 26.323 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -19.146 -4.486 27.025 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.683 -3.376 25.713 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.382 -6.566 22.556 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.783 -7.474 21.487 1.00 33.53 C ATOM 1206 C ASN A 73 -18.760 -8.598 21.311 1.00 45.13 C ATOM 1207 O ASN A 73 -19.076 -9.655 20.763 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.948 -6.703 20.175 1.00 64.34 C ATOM 1209 CG ASN A 73 -21.324 -6.885 19.567 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -21.532 -7.757 18.723 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -22.273 -6.060 19.993 1.00 43.31 N ATOM 0 H ASN A 73 -19.393 -5.580 22.296 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.738 -7.922 21.761 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -19.771 -5.643 20.355 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -19.192 -7.036 19.463 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -23.219 -6.134 19.619 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -22.056 -5.352 20.694 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.532 -8.360 21.768 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.463 -9.345 21.651 1.00 43.41 C ATOM 1220 C PHE A 74 -16.322 -10.198 22.911 1.00 53.44 C ATOM 1221 O PHE A 74 -16.302 -11.426 22.837 1.00 24.31 O ATOM 1222 CB PHE A 74 -15.137 -8.640 21.357 1.00 54.04 C ATOM 1223 CG PHE A 74 -14.035 -9.567 20.928 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -13.487 -10.478 21.817 1.00 23.30 C ATOM 1225 CD2 PHE A 74 -13.540 -9.519 19.635 1.00 73.25 C ATOM 1226 CE1 PHE A 74 -12.470 -11.325 21.423 1.00 1.20 C ATOM 1227 CE2 PHE A 74 -12.522 -10.363 19.235 1.00 32.35 C ATOM 1228 CZ PHE A 74 -11.986 -11.268 20.130 1.00 14.42 C ATOM 0 H PHE A 74 -17.254 -7.491 22.224 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.723 -10.012 20.829 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -15.298 -7.897 20.576 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.818 -8.101 22.249 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -13.860 -10.526 22.830 1.00 23.30 H new ATOM 0 HD2 PHE A 74 -13.955 -8.813 18.931 1.00 73.25 H new ATOM 0 HE1 PHE A 74 -12.053 -12.032 22.125 1.00 1.20 H new ATOM 0 HE2 PHE A 74 -12.146 -10.315 18.224 1.00 32.35 H new ATOM 0 HZ PHE A 74 -11.191 -11.930 19.820 1.00 14.42 H new ATOM 1238 N LEU A 75 -16.195 -9.545 24.063 1.00 52.12 N ATOM 1239 CA LEU A 75 -16.021 -10.253 25.329 1.00 13.42 C ATOM 1240 C LEU A 75 -17.310 -10.333 26.141 1.00 31.53 C ATOM 1241 O LEU A 75 -17.673 -11.400 26.639 1.00 14.55 O ATOM 1242 CB LEU A 75 -14.938 -9.564 26.160 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.628 -9.288 25.417 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.083 -7.915 25.786 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.605 -10.376 25.720 1.00 74.13 C ATOM 0 H LEU A 75 -16.209 -8.529 24.147 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.725 -11.274 25.087 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.333 -8.619 26.532 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.721 -10.183 27.031 1.00 43.21 H new ATOM 0 HG LEU A 75 -13.829 -9.297 24.346 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.152 -7.737 25.248 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -13.811 -7.150 25.515 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -12.896 -7.874 26.859 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.680 -10.165 25.184 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -12.406 -10.400 26.791 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -12.996 -11.342 25.401 1.00 74.13 H new ATOM 1257 N PHE A 76 -17.987 -9.201 26.297 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.220 -9.151 27.078 1.00 61.03 C ATOM 1259 C PHE A 76 -20.453 -9.368 26.220 1.00 53.21 C ATOM 1260 O PHE A 76 -21.538 -8.894 26.550 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.348 -7.811 27.766 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.231 -7.520 28.718 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -18.056 -8.293 29.853 1.00 44.41 C ATOM 1264 CD2 PHE A 76 -17.356 -6.476 28.477 1.00 2.43 C ATOM 1265 CE1 PHE A 76 -17.026 -8.029 30.732 1.00 73.25 C ATOM 1266 CE2 PHE A 76 -16.324 -6.206 29.351 1.00 14.30 C ATOM 1267 CZ PHE A 76 -16.160 -6.984 30.480 1.00 10.35 C ATOM 0 H PHE A 76 -17.705 -8.307 25.895 1.00 73.34 H new ATOM 0 HA PHE A 76 -19.160 -9.956 27.810 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.385 -7.026 27.011 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.294 -7.778 28.307 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -18.733 -9.111 30.052 1.00 44.41 H new ATOM 0 HD2 PHE A 76 -17.482 -5.866 27.595 1.00 2.43 H new ATOM 0 HE1 PHE A 76 -16.898 -8.638 31.615 1.00 73.25 H new ATOM 0 HE2 PHE A 76 -15.646 -5.389 29.153 1.00 14.30 H new ATOM 0 HZ PHE A 76 -15.353 -6.775 31.167 1.00 10.35 H new ATOM 1277 N GLU A 77 -20.286 -10.078 25.129 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.391 -10.359 24.224 1.00 1.24 C ATOM 1279 C GLU A 77 -22.398 -11.295 24.887 1.00 64.35 C ATOM 1280 O GLU A 77 -22.677 -12.384 24.385 1.00 22.34 O ATOM 1281 CB GLU A 77 -20.875 -10.982 22.925 1.00 71.23 C ATOM 1282 CG GLU A 77 -21.792 -10.750 21.737 1.00 55.43 C ATOM 1283 CD GLU A 77 -21.451 -11.638 20.556 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -21.697 -12.859 20.642 1.00 31.00 O ATOM 1285 OE2 GLU A 77 -20.939 -11.113 19.545 1.00 30.04 O ATOM 0 H GLU A 77 -19.393 -10.476 24.840 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.888 -9.418 23.988 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -19.891 -10.571 22.700 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.747 -12.055 23.071 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -22.824 -10.932 22.038 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -21.728 -9.705 21.432 1.00 55.43 H new ATOM 1292 N GLY A 78 -22.937 -10.861 26.022 1.00 23.53 N ATOM 1293 CA GLY A 78 -23.903 -11.665 26.739 1.00 62.55 C ATOM 1294 C GLY A 78 -24.111 -11.198 28.169 1.00 72.21 C ATOM 1295 O GLY A 78 -25.203 -10.761 28.532 1.00 64.15 O ATOM 0 H GLY A 78 -22.720 -9.964 26.457 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -24.856 -11.638 26.210 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.572 -12.703 26.745 1.00 62.55 H new