USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 719 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 38 HIS : no HD1:sc= -1.69! C(o=-2.6!,f=-3.5!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= -0.892 USER MOD Set 2.1: A 12 LYS NZ :NH3+ -172:sc= 0.368 (180deg=-0.158) USER MOD Set 2.2: A 83 TYR OH : rot 110:sc= 0.571 USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 28 HIS : no HD1:sc= -0.0659 X(o=-0.066,f=0.0054) USER MOD Set 4.1: A 19 GLN : amide:sc= 0.749 K(o=1.4,f=-3.3!) USER MOD Set 4.2: A 62 LYS NZ :NH3+ -128:sc= 0.634 (180deg=0) USER MOD Set 4.3: A 66 MET CE :methyl -151:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 168:sc= 1.31 (180deg=1.22) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.166 K(o=-0.17,f=-5!) USER MOD Single : A 23 ASN : amide:sc= 0.458 X(o=0.46,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 1.27 (180deg=0.898) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.523 K(o=-0.52,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc=-0.00326 (180deg=-0.0673) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 162:sc= -0.0567 (180deg=-0.43) USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00842 USER MOD Single : A 65 THR OG1 : rot 64:sc= 1.06 USER MOD Single : A 69 ASN : amide:sc= -0.79 K(o=-0.79,f=-5.1!) USER MOD Single : A 72 ASN : amide:sc= -2.53! C(o=-2.5!,f=-3.9!) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= 0.846 (180deg=0.721) USER MOD Single : A 78 ASN : amide:sc=-0.00168 X(o=-0.0017,f=0) USER MOD Single : A 85 ASN : amide:sc= -3.8! C(o=-3.8!,f=-11!) USER MOD Single : A 86 MET CE :methyl -164:sc= -0.33 (180deg=-0.889) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N ASP A 7 -11.845 -46.919 22.403 1.00 0.00 N ATOM 59 CA ASP A 7 -12.377 -45.862 23.247 1.00 0.00 C ATOM 60 C ASP A 7 -11.721 -45.910 24.604 1.00 0.00 C ATOM 61 O ASP A 7 -11.862 -46.885 25.342 1.00 0.00 O ATOM 62 CB ASP A 7 -13.895 -45.987 23.391 1.00 0.00 C ATOM 63 CG ASP A 7 -14.501 -44.869 24.227 1.00 0.00 C ATOM 64 OD1 ASP A 7 -14.567 -43.716 23.729 1.00 0.00 O ATOM 65 OD2 ASP A 7 -14.920 -45.134 25.375 1.00 0.00 O ATOM 0 HA ASP A 7 -12.159 -44.904 22.776 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -14.351 -45.983 22.401 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -14.134 -46.947 23.848 1.00 0.00 H new ATOM 70 N ILE A 8 -10.987 -44.877 24.917 1.00 0.00 N ATOM 71 CA ILE A 8 -10.275 -44.813 26.159 1.00 0.00 C ATOM 72 C ILE A 8 -11.127 -44.208 27.243 1.00 0.00 C ATOM 73 O ILE A 8 -11.733 -43.145 27.064 1.00 0.00 O ATOM 74 CB ILE A 8 -8.949 -44.047 25.997 1.00 0.00 C ATOM 75 CG1 ILE A 8 -8.054 -44.819 25.031 1.00 0.00 C ATOM 76 CG2 ILE A 8 -8.256 -43.843 27.346 1.00 0.00 C ATOM 77 CD1 ILE A 8 -6.760 -44.138 24.708 1.00 0.00 C ATOM 0 H ILE A 8 -10.867 -44.060 24.319 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.034 -45.833 26.460 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.152 -43.055 25.593 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.838 -45.798 25.458 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.602 -44.989 24.104 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.323 -43.299 27.197 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.908 -43.272 28.007 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.043 -44.813 27.796 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.187 -44.755 24.016 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.963 -43.170 24.249 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.187 -43.992 25.624 1.00 0.00 H new ATOM 89 N LYS A 9 -11.184 -44.894 28.358 1.00 0.00 N ATOM 90 CA LYS A 9 -11.993 -44.473 29.460 1.00 0.00 C ATOM 91 C LYS A 9 -11.227 -43.490 30.304 1.00 0.00 C ATOM 92 O LYS A 9 -10.047 -43.690 30.587 1.00 0.00 O ATOM 93 CB LYS A 9 -12.408 -45.679 30.292 1.00 0.00 C ATOM 94 CG LYS A 9 -13.059 -46.787 29.471 1.00 0.00 C ATOM 95 CD LYS A 9 -14.271 -46.284 28.703 1.00 0.00 C ATOM 96 CE LYS A 9 -14.901 -47.394 27.872 1.00 0.00 C ATOM 97 NZ LYS A 9 -16.055 -46.905 27.077 1.00 0.00 N ATOM 0 H LYS A 9 -10.668 -45.759 28.521 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.893 -43.987 29.082 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.531 -46.080 30.799 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.103 -45.355 31.067 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.330 -47.197 28.772 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.359 -47.600 30.132 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.008 -45.887 29.402 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.975 -45.462 28.051 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.152 -47.816 27.202 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.229 -48.199 28.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.327 -47.627 26.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.858 -46.716 27.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.790 -46.029 26.583 1.00 0.00 H new ATOM 111 N GLU A 10 -11.881 -42.436 30.695 1.00 0.00 N ATOM 112 CA GLU A 10 -11.248 -41.427 31.487 1.00 0.00 C ATOM 113 C GLU A 10 -11.759 -41.487 32.911 1.00 0.00 C ATOM 114 O GLU A 10 -12.913 -41.137 33.186 1.00 0.00 O ATOM 115 CB GLU A 10 -11.492 -40.044 30.870 1.00 0.00 C ATOM 116 CG GLU A 10 -10.937 -39.915 29.454 1.00 0.00 C ATOM 117 CD GLU A 10 -11.195 -38.562 28.835 1.00 0.00 C ATOM 118 OE1 GLU A 10 -12.263 -38.386 28.207 1.00 0.00 O ATOM 119 OE2 GLU A 10 -10.329 -37.672 28.965 1.00 0.00 O ATOM 0 H GLU A 10 -12.860 -42.254 30.475 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.173 -41.606 31.505 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.563 -39.844 30.854 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.035 -39.284 31.504 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.863 -40.100 29.473 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.382 -40.686 28.825 1.00 0.00 H new ATOM 126 N ILE A 11 -10.915 -41.956 33.806 1.00 0.00 N ATOM 127 CA ILE A 11 -11.262 -42.044 35.198 1.00 0.00 C ATOM 128 C ILE A 11 -10.811 -40.770 35.891 1.00 0.00 C ATOM 129 O ILE A 11 -9.615 -40.534 36.085 1.00 0.00 O ATOM 130 CB ILE A 11 -10.625 -43.308 35.878 1.00 0.00 C ATOM 131 CG1 ILE A 11 -11.218 -44.598 35.284 1.00 0.00 C ATOM 132 CG2 ILE A 11 -10.818 -43.286 37.401 1.00 0.00 C ATOM 133 CD1 ILE A 11 -12.691 -44.787 35.556 1.00 0.00 C ATOM 0 H ILE A 11 -9.975 -42.284 33.585 1.00 0.00 H new ATOM 0 HA ILE A 11 -12.343 -42.153 35.289 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.554 -43.286 35.676 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -11.057 -44.595 34.206 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.674 -45.453 35.685 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.365 -44.176 37.838 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.344 -42.396 37.815 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.883 -43.270 37.633 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -13.028 -45.719 35.103 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.860 -44.824 36.632 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.250 -43.954 35.130 1.00 0.00 H new ATOM 145 N LYS A 12 -11.774 -39.933 36.224 1.00 0.00 N ATOM 146 CA LYS A 12 -11.496 -38.662 36.856 1.00 0.00 C ATOM 147 C LYS A 12 -11.340 -38.826 38.351 1.00 0.00 C ATOM 148 O LYS A 12 -12.137 -39.496 39.011 1.00 0.00 O ATOM 149 CB LYS A 12 -12.574 -37.625 36.509 1.00 0.00 C ATOM 150 CG LYS A 12 -12.384 -36.262 37.167 1.00 0.00 C ATOM 151 CD LYS A 12 -13.469 -35.299 36.698 1.00 0.00 C ATOM 152 CE LYS A 12 -13.459 -33.990 37.471 1.00 0.00 C ATOM 153 NZ LYS A 12 -12.209 -33.213 37.291 1.00 0.00 N ATOM 0 H LYS A 12 -12.765 -40.115 36.065 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.549 -38.289 36.466 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.595 -37.491 35.427 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.547 -38.021 36.800 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.422 -36.364 38.252 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.400 -35.863 36.918 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.332 -35.092 35.637 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.444 -35.774 36.807 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.306 -33.382 37.153 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.598 -34.201 38.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.206 -32.404 37.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.390 -33.822 37.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.153 -32.868 36.312 1.00 0.00 H new ATOM 167 N LEU A 13 -10.311 -38.219 38.867 1.00 0.00 N ATOM 168 CA LEU A 13 -9.967 -38.310 40.255 1.00 0.00 C ATOM 169 C LEU A 13 -9.861 -36.922 40.847 1.00 0.00 C ATOM 170 O LEU A 13 -9.901 -35.915 40.122 1.00 0.00 O ATOM 171 CB LEU A 13 -8.636 -39.030 40.386 1.00 0.00 C ATOM 172 CG LEU A 13 -8.583 -40.427 39.780 1.00 0.00 C ATOM 173 CD1 LEU A 13 -7.172 -40.947 39.796 1.00 0.00 C ATOM 174 CD2 LEU A 13 -9.509 -41.376 40.525 1.00 0.00 C ATOM 0 H LEU A 13 -9.675 -37.635 38.323 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.738 -38.863 40.791 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.865 -38.420 39.916 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.384 -39.102 41.444 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.922 -40.366 38.746 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.147 -41.946 39.360 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.533 -40.282 39.215 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.812 -40.990 40.824 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.454 -42.367 40.074 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.205 -41.435 41.570 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.533 -41.007 40.466 1.00 0.00 H new ATOM 186 N SER A 14 -9.763 -36.853 42.147 1.00 0.00 N ATOM 187 CA SER A 14 -9.614 -35.602 42.832 1.00 0.00 C ATOM 188 C SER A 14 -8.635 -35.783 43.975 1.00 0.00 C ATOM 189 O SER A 14 -8.508 -36.877 44.503 1.00 0.00 O ATOM 190 CB SER A 14 -10.975 -35.132 43.364 1.00 0.00 C ATOM 191 OG SER A 14 -11.923 -35.025 42.308 1.00 0.00 O ATOM 0 H SER A 14 -9.785 -37.667 42.761 1.00 0.00 H new ATOM 0 HA SER A 14 -9.234 -34.846 42.145 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.339 -35.834 44.115 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.864 -34.166 43.857 1.00 0.00 H new ATOM 0 HG SER A 14 -12.783 -34.726 42.670 1.00 0.00 H new ATOM 197 N VAL A 15 -7.924 -34.727 44.332 1.00 0.00 N ATOM 198 CA VAL A 15 -7.041 -34.764 45.490 1.00 0.00 C ATOM 199 C VAL A 15 -7.849 -35.075 46.736 1.00 0.00 C ATOM 200 O VAL A 15 -7.461 -35.902 47.558 1.00 0.00 O ATOM 201 CB VAL A 15 -6.252 -33.437 45.663 1.00 0.00 C ATOM 202 CG1 VAL A 15 -5.594 -33.372 47.033 1.00 0.00 C ATOM 203 CG2 VAL A 15 -5.195 -33.327 44.583 1.00 0.00 C ATOM 0 H VAL A 15 -7.939 -33.834 43.839 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.305 -35.551 45.329 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.952 -32.606 45.577 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.048 -32.434 47.130 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.359 -33.428 47.807 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.903 -34.208 47.145 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.643 -32.395 44.707 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.507 -34.169 44.660 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.673 -33.338 43.604 1.00 0.00 H new ATOM 213 N LYS A 16 -8.989 -34.430 46.851 1.00 0.00 N ATOM 214 CA LYS A 16 -9.898 -34.677 47.934 1.00 0.00 C ATOM 215 C LYS A 16 -10.706 -35.966 47.672 1.00 0.00 C ATOM 216 O LYS A 16 -11.939 -35.947 47.535 1.00 0.00 O ATOM 217 CB LYS A 16 -10.816 -33.468 48.137 1.00 0.00 C ATOM 218 CG LYS A 16 -11.658 -33.087 46.924 1.00 0.00 C ATOM 219 CD LYS A 16 -12.567 -31.910 47.243 1.00 0.00 C ATOM 220 CE LYS A 16 -13.492 -32.249 48.396 1.00 0.00 C ATOM 221 NZ LYS A 16 -14.551 -31.229 48.596 1.00 0.00 N ATOM 0 H LYS A 16 -9.307 -33.719 46.192 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.330 -34.824 48.853 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.484 -33.674 48.974 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.205 -32.611 48.420 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.006 -32.832 46.089 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.258 -33.941 46.610 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.966 -31.037 47.496 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.154 -31.648 46.363 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.956 -33.218 48.212 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.907 -32.344 49.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.155 -31.508 49.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.112 -30.308 48.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.129 -31.155 47.734 1.00 0.00 H new ATOM 235 N ILE A 17 -9.991 -37.070 47.589 1.00 0.00 N ATOM 236 CA ILE A 17 -10.584 -38.367 47.316 1.00 0.00 C ATOM 237 C ILE A 17 -10.495 -39.273 48.553 1.00 0.00 C ATOM 238 O ILE A 17 -9.706 -39.016 49.481 1.00 0.00 O ATOM 239 CB ILE A 17 -9.849 -39.047 46.128 1.00 0.00 C ATOM 240 CG1 ILE A 17 -10.611 -40.268 45.616 1.00 0.00 C ATOM 241 CG2 ILE A 17 -8.435 -39.441 46.535 1.00 0.00 C ATOM 242 CD1 ILE A 17 -10.042 -40.846 44.335 1.00 0.00 C ATOM 0 H ILE A 17 -8.978 -37.095 47.709 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.633 -38.217 47.061 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.798 -38.323 45.315 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.605 -41.039 46.387 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -11.652 -39.992 45.449 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.933 -39.916 45.692 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.881 -38.551 46.833 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.478 -40.138 47.372 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.633 -41.710 44.031 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.073 -40.091 43.550 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.010 -41.154 44.502 1.00 0.00 H new ATOM 254 N ALA A 18 -11.312 -40.306 48.576 1.00 0.00 N ATOM 255 CA ALA A 18 -11.311 -41.269 49.660 1.00 0.00 C ATOM 256 C ALA A 18 -10.541 -42.525 49.251 1.00 0.00 C ATOM 257 O ALA A 18 -10.506 -42.888 48.071 1.00 0.00 O ATOM 258 CB ALA A 18 -12.735 -41.615 50.042 1.00 0.00 C ATOM 0 H ALA A 18 -11.995 -40.502 47.845 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.815 -40.831 50.526 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.727 -42.339 50.857 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.255 -40.713 50.363 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.249 -42.043 49.181 1.00 0.00 H new ATOM 264 N GLN A 19 -9.935 -43.193 50.225 1.00 0.00 N ATOM 265 CA GLN A 19 -9.134 -44.379 49.956 1.00 0.00 C ATOM 266 C GLN A 19 -9.996 -45.540 49.447 1.00 0.00 C ATOM 267 O GLN A 19 -9.577 -46.297 48.559 1.00 0.00 O ATOM 268 CB GLN A 19 -8.340 -44.793 51.197 1.00 0.00 C ATOM 269 CG GLN A 19 -7.410 -45.972 50.969 1.00 0.00 C ATOM 270 CD GLN A 19 -6.356 -45.688 49.916 1.00 0.00 C ATOM 271 OE1 GLN A 19 -5.315 -45.109 50.201 1.00 0.00 O ATOM 272 NE2 GLN A 19 -6.628 -46.091 48.687 1.00 0.00 N ATOM 0 H GLN A 19 -9.984 -42.932 51.210 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.427 -44.125 49.166 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.753 -43.941 51.541 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.038 -45.043 51.996 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.920 -46.230 51.908 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.996 -46.839 50.666 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.507 -46.570 48.490 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.959 -45.923 47.935 1.00 0.00 H new ATOM 281 N ASN A 20 -11.190 -45.685 50.004 1.00 0.00 N ATOM 282 CA ASN A 20 -12.105 -46.738 49.564 1.00 0.00 C ATOM 283 C ASN A 20 -12.588 -46.458 48.141 1.00 0.00 C ATOM 284 O ASN A 20 -12.819 -47.383 47.356 1.00 0.00 O ATOM 285 CB ASN A 20 -13.294 -46.901 50.534 1.00 0.00 C ATOM 286 CG ASN A 20 -14.195 -45.679 50.619 1.00 0.00 C ATOM 287 OD1 ASN A 20 -13.763 -44.551 50.402 1.00 0.00 O ATOM 288 ND2 ASN A 20 -15.453 -45.898 50.956 1.00 0.00 N ATOM 0 H ASN A 20 -11.549 -45.095 50.755 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.559 -47.682 49.566 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.890 -47.758 50.221 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -12.910 -47.126 51.529 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.101 -45.115 51.043 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.776 -46.850 51.129 1.00 0.00 H new ATOM 295 N ASP A 21 -12.726 -45.175 47.824 1.00 0.00 N ATOM 296 CA ASP A 21 -13.121 -44.728 46.487 1.00 0.00 C ATOM 297 C ASP A 21 -12.048 -45.118 45.472 1.00 0.00 C ATOM 298 O ASP A 21 -12.353 -45.524 44.352 1.00 0.00 O ATOM 299 CB ASP A 21 -13.342 -43.210 46.485 1.00 0.00 C ATOM 300 CG ASP A 21 -13.833 -42.673 45.152 1.00 0.00 C ATOM 301 OD1 ASP A 21 -14.894 -43.128 44.680 1.00 0.00 O ATOM 302 OD2 ASP A 21 -13.169 -41.775 44.585 1.00 0.00 O ATOM 0 H ASP A 21 -12.568 -44.414 48.484 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.056 -45.213 46.207 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.065 -42.955 47.260 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.407 -42.714 46.746 1.00 0.00 H new ATOM 307 N ILE A 22 -10.783 -45.014 45.891 1.00 0.00 N ATOM 308 CA ILE A 22 -9.652 -45.399 45.051 1.00 0.00 C ATOM 309 C ILE A 22 -9.705 -46.896 44.730 1.00 0.00 C ATOM 310 O ILE A 22 -9.513 -47.303 43.586 1.00 0.00 O ATOM 311 CB ILE A 22 -8.294 -45.059 45.739 1.00 0.00 C ATOM 312 CG1 ILE A 22 -8.101 -43.541 45.835 1.00 0.00 C ATOM 313 CG2 ILE A 22 -7.123 -45.706 45.004 1.00 0.00 C ATOM 314 CD1 ILE A 22 -6.897 -43.121 46.660 1.00 0.00 C ATOM 0 H ILE A 22 -10.519 -44.664 46.812 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.723 -44.830 44.124 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.320 -45.468 46.749 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.999 -43.134 44.829 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.998 -43.098 46.268 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.191 -45.450 45.508 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.249 -46.789 45.001 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.092 -45.342 43.977 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.830 -42.033 46.679 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.005 -43.496 47.678 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.990 -43.532 46.216 1.00 0.00 H new ATOM 326 N ASN A 23 -10.006 -47.698 45.749 1.00 0.00 N ATOM 327 CA ASN A 23 -10.091 -49.159 45.606 1.00 0.00 C ATOM 328 C ASN A 23 -11.165 -49.565 44.622 1.00 0.00 C ATOM 329 O ASN A 23 -10.975 -50.460 43.806 1.00 0.00 O ATOM 330 CB ASN A 23 -10.401 -49.803 46.954 1.00 0.00 C ATOM 331 CG ASN A 23 -9.170 -50.058 47.795 1.00 0.00 C ATOM 332 OD1 ASN A 23 -8.504 -51.083 47.642 1.00 0.00 O ATOM 333 ND2 ASN A 23 -8.865 -49.145 48.693 1.00 0.00 N ATOM 0 H ASN A 23 -10.198 -47.362 46.693 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.125 -49.501 45.234 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.083 -49.158 47.508 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.920 -50.747 46.787 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.051 -49.273 49.294 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.443 -48.310 48.788 1.00 0.00 H new ATOM 340 N TYR A 24 -12.283 -48.912 44.714 1.00 0.00 N ATOM 341 CA TYR A 24 -13.403 -49.165 43.848 1.00 0.00 C ATOM 342 C TYR A 24 -13.044 -48.868 42.382 1.00 0.00 C ATOM 343 O TYR A 24 -13.302 -49.680 41.487 1.00 0.00 O ATOM 344 CB TYR A 24 -14.568 -48.308 44.329 1.00 0.00 C ATOM 345 CG TYR A 24 -15.803 -48.312 43.464 1.00 0.00 C ATOM 346 CD1 TYR A 24 -16.713 -49.345 43.542 1.00 0.00 C ATOM 347 CD2 TYR A 24 -16.063 -47.268 42.588 1.00 0.00 C ATOM 348 CE1 TYR A 24 -17.859 -49.346 42.772 1.00 0.00 C ATOM 349 CE2 TYR A 24 -17.202 -47.258 41.809 1.00 0.00 C ATOM 350 CZ TYR A 24 -18.098 -48.300 41.905 1.00 0.00 C ATOM 351 OH TYR A 24 -19.240 -48.294 41.135 1.00 0.00 O ATOM 0 H TYR A 24 -12.449 -48.177 45.401 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.683 -50.218 43.888 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.849 -48.642 45.328 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.220 -47.279 44.423 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -16.526 -50.167 44.217 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.362 -46.449 42.515 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -18.564 -50.161 42.848 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.389 -46.440 41.129 1.00 0.00 H new ATOM 0 HH TYR A 24 -19.256 -47.486 40.580 1.00 0.00 H new ATOM 361 N LYS A 25 -12.431 -47.716 42.158 1.00 0.00 N ATOM 362 CA LYS A 25 -12.061 -47.274 40.819 1.00 0.00 C ATOM 363 C LYS A 25 -10.994 -48.155 40.160 1.00 0.00 C ATOM 364 O LYS A 25 -11.090 -48.444 38.967 1.00 0.00 O ATOM 365 CB LYS A 25 -11.669 -45.804 40.841 1.00 0.00 C ATOM 366 CG LYS A 25 -12.863 -44.923 41.139 1.00 0.00 C ATOM 367 CD LYS A 25 -12.499 -43.466 41.303 1.00 0.00 C ATOM 368 CE LYS A 25 -13.750 -42.644 41.567 1.00 0.00 C ATOM 369 NZ LYS A 25 -13.441 -41.256 41.971 1.00 0.00 N ATOM 0 H LYS A 25 -12.176 -47.061 42.897 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.942 -47.385 40.186 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.897 -45.642 41.594 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.239 -45.525 39.879 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.590 -45.021 40.332 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.348 -45.275 42.050 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.796 -43.349 42.128 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.999 -43.104 40.405 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.367 -42.629 40.669 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.338 -43.124 42.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.306 -40.681 41.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.073 -41.251 42.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.727 -40.858 41.328 1.00 0.00 H new ATOM 383 N VAL A 26 -9.983 -48.590 40.918 1.00 0.00 N ATOM 384 CA VAL A 26 -8.957 -49.475 40.345 1.00 0.00 C ATOM 385 C VAL A 26 -9.545 -50.806 39.919 1.00 0.00 C ATOM 386 O VAL A 26 -9.132 -51.372 38.908 1.00 0.00 O ATOM 387 CB VAL A 26 -7.730 -49.721 41.263 1.00 0.00 C ATOM 388 CG1 VAL A 26 -6.757 -48.567 41.189 1.00 0.00 C ATOM 389 CG2 VAL A 26 -8.143 -49.982 42.700 1.00 0.00 C ATOM 0 H VAL A 26 -9.851 -48.354 41.902 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.590 -48.933 39.473 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.229 -50.617 40.897 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.907 -48.765 41.842 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.408 -48.451 40.163 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.254 -47.651 41.509 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.255 -50.149 43.309 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.689 -49.120 43.084 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.782 -50.864 42.740 1.00 0.00 H new ATOM 399 N LYS A 27 -10.521 -51.297 40.677 1.00 0.00 N ATOM 400 CA LYS A 27 -11.178 -52.548 40.332 1.00 0.00 C ATOM 401 C LYS A 27 -11.866 -52.419 38.980 1.00 0.00 C ATOM 402 O LYS A 27 -11.806 -53.333 38.151 1.00 0.00 O ATOM 403 CB LYS A 27 -12.185 -52.957 41.412 1.00 0.00 C ATOM 404 CG LYS A 27 -11.547 -53.345 42.741 1.00 0.00 C ATOM 405 CD LYS A 27 -12.597 -53.681 43.795 1.00 0.00 C ATOM 406 CE LYS A 27 -13.375 -54.940 43.430 1.00 0.00 C ATOM 407 NZ LYS A 27 -14.355 -55.311 44.480 1.00 0.00 N ATOM 0 H LYS A 27 -10.870 -50.851 41.525 1.00 0.00 H new ATOM 0 HA LYS A 27 -10.420 -53.329 40.270 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.877 -52.132 41.580 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.774 -53.797 41.045 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.892 -54.204 42.593 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.923 -52.526 43.098 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.112 -53.819 44.761 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.287 -52.844 43.902 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.897 -54.783 42.486 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.679 -55.765 43.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.863 -56.172 44.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.855 -55.486 45.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.035 -54.535 44.610 1.00 0.00 H new ATOM 421 N HIS A 28 -12.507 -51.277 38.759 1.00 0.00 N ATOM 422 CA HIS A 28 -13.152 -50.988 37.481 1.00 0.00 C ATOM 423 C HIS A 28 -12.120 -50.812 36.373 1.00 0.00 C ATOM 424 O HIS A 28 -12.296 -51.313 35.265 1.00 0.00 O ATOM 425 CB HIS A 28 -14.025 -49.736 37.583 1.00 0.00 C ATOM 426 CG HIS A 28 -15.451 -50.022 37.939 1.00 0.00 C ATOM 427 ND1 HIS A 28 -15.945 -49.927 39.219 1.00 0.00 N ATOM 428 CD2 HIS A 28 -16.496 -50.387 37.164 1.00 0.00 C ATOM 429 CE1 HIS A 28 -17.229 -50.229 39.215 1.00 0.00 C ATOM 430 NE2 HIS A 28 -17.586 -50.509 37.982 1.00 0.00 N ATOM 0 H HIS A 28 -12.595 -50.533 39.451 1.00 0.00 H new ATOM 0 HA HIS A 28 -13.786 -51.839 37.232 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.600 -49.068 38.332 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.997 -49.206 36.631 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.475 -50.552 36.097 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -17.877 -50.244 40.079 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -18.524 -50.774 37.683 1.00 0.00 H new ATOM 438 N ALA A 29 -11.027 -50.113 36.689 1.00 0.00 N ATOM 439 CA ALA A 29 -9.958 -49.857 35.723 1.00 0.00 C ATOM 440 C ALA A 29 -9.371 -51.160 35.215 1.00 0.00 C ATOM 441 O ALA A 29 -9.052 -51.288 34.035 1.00 0.00 O ATOM 442 CB ALA A 29 -8.869 -49.001 36.351 1.00 0.00 C ATOM 0 H ALA A 29 -10.860 -49.713 37.612 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.385 -49.317 34.878 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.081 -48.820 35.620 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.293 -48.049 36.671 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.451 -49.520 37.214 1.00 0.00 H new ATOM 448 N LEU A 30 -9.262 -52.131 36.109 1.00 0.00 N ATOM 449 CA LEU A 30 -8.740 -53.440 35.764 1.00 0.00 C ATOM 450 C LEU A 30 -9.624 -54.109 34.718 1.00 0.00 C ATOM 451 O LEU A 30 -9.130 -54.762 33.799 1.00 0.00 O ATOM 452 CB LEU A 30 -8.644 -54.324 37.016 1.00 0.00 C ATOM 453 CG LEU A 30 -7.589 -53.918 38.049 1.00 0.00 C ATOM 454 CD1 LEU A 30 -7.730 -54.754 39.312 1.00 0.00 C ATOM 455 CD2 LEU A 30 -6.189 -54.070 37.470 1.00 0.00 C ATOM 0 H LEU A 30 -9.532 -52.033 37.088 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.741 -53.312 35.346 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.618 -54.332 37.505 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.438 -55.346 36.699 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.747 -52.871 38.306 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.972 -54.452 40.035 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.721 -54.602 39.740 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.598 -55.808 39.067 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.452 -53.777 38.218 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.024 -55.109 37.185 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.087 -53.433 36.592 1.00 0.00 H new ATOM 467 N GLU A 31 -10.932 -53.936 34.869 1.00 0.00 N ATOM 468 CA GLU A 31 -11.909 -54.524 33.965 1.00 0.00 C ATOM 469 C GLU A 31 -11.787 -53.941 32.557 1.00 0.00 C ATOM 470 O GLU A 31 -11.815 -54.677 31.574 1.00 0.00 O ATOM 471 CB GLU A 31 -13.316 -54.273 34.496 1.00 0.00 C ATOM 472 CG GLU A 31 -13.577 -54.887 35.858 1.00 0.00 C ATOM 473 CD GLU A 31 -14.959 -54.567 36.382 1.00 0.00 C ATOM 474 OE1 GLU A 31 -15.138 -53.491 36.975 1.00 0.00 O ATOM 475 OE2 GLU A 31 -15.874 -55.398 36.209 1.00 0.00 O ATOM 0 H GLU A 31 -11.343 -53.384 35.622 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.715 -55.595 33.910 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.485 -53.198 34.554 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.039 -54.671 33.784 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.457 -55.969 35.794 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.831 -54.525 36.565 1.00 0.00 H new ATOM 482 N PHE A 32 -11.648 -52.622 32.465 1.00 0.00 N ATOM 483 CA PHE A 32 -11.524 -51.951 31.168 1.00 0.00 C ATOM 484 C PHE A 32 -10.232 -52.348 30.465 1.00 0.00 C ATOM 485 O PHE A 32 -10.186 -52.457 29.233 1.00 0.00 O ATOM 486 CB PHE A 32 -11.607 -50.428 31.312 1.00 0.00 C ATOM 487 CG PHE A 32 -12.962 -49.931 31.738 1.00 0.00 C ATOM 488 CD1 PHE A 32 -13.996 -49.823 30.818 1.00 0.00 C ATOM 489 CD2 PHE A 32 -13.207 -49.580 33.054 1.00 0.00 C ATOM 490 CE1 PHE A 32 -15.243 -49.372 31.206 1.00 0.00 C ATOM 491 CE2 PHE A 32 -14.450 -49.129 33.446 1.00 0.00 C ATOM 492 CZ PHE A 32 -15.469 -49.024 32.521 1.00 0.00 C ATOM 0 H PHE A 32 -11.618 -51.995 33.269 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.364 -52.278 30.555 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.865 -50.100 32.040 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.344 -49.968 30.360 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -13.824 -50.095 29.787 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -12.415 -49.660 33.783 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -16.039 -49.292 30.481 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -14.626 -48.858 34.477 1.00 0.00 H new ATOM 0 HZ PHE A 32 -16.442 -48.670 32.827 1.00 0.00 H new ATOM 502 N LEU A 33 -9.192 -52.564 31.255 1.00 0.00 N ATOM 503 CA LEU A 33 -7.896 -52.960 30.737 1.00 0.00 C ATOM 504 C LEU A 33 -7.983 -54.316 30.043 1.00 0.00 C ATOM 505 O LEU A 33 -7.381 -54.527 29.004 1.00 0.00 O ATOM 506 CB LEU A 33 -6.856 -52.984 31.866 1.00 0.00 C ATOM 507 CG LEU A 33 -6.505 -51.617 32.461 1.00 0.00 C ATOM 508 CD1 LEU A 33 -5.551 -51.763 33.632 1.00 0.00 C ATOM 509 CD2 LEU A 33 -5.912 -50.705 31.403 1.00 0.00 C ATOM 0 H LEU A 33 -9.224 -52.470 32.270 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.579 -52.226 29.996 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.226 -53.626 32.665 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.943 -53.442 31.487 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.427 -51.165 32.827 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.318 -50.778 34.036 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.016 -52.372 34.407 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.633 -52.244 33.295 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.670 -49.740 31.848 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.005 -51.156 31.001 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.634 -50.563 30.599 1.00 0.00 H new ATOM 521 N GLU A 34 -8.756 -55.217 30.632 1.00 0.00 N ATOM 522 CA GLU A 34 -8.974 -56.561 30.092 1.00 0.00 C ATOM 523 C GLU A 34 -9.401 -56.520 28.617 1.00 0.00 C ATOM 524 O GLU A 34 -8.948 -57.334 27.817 1.00 0.00 O ATOM 525 CB GLU A 34 -10.049 -57.277 30.904 1.00 0.00 C ATOM 526 CG GLU A 34 -9.703 -57.477 32.367 1.00 0.00 C ATOM 527 CD GLU A 34 -10.779 -58.231 33.121 1.00 0.00 C ATOM 528 OE1 GLU A 34 -11.708 -57.588 33.640 1.00 0.00 O ATOM 529 OE2 GLU A 34 -10.701 -59.472 33.196 1.00 0.00 O ATOM 0 H GLU A 34 -9.255 -55.040 31.504 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.029 -57.099 30.159 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.976 -56.708 30.837 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.240 -58.251 30.452 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.762 -58.021 32.443 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.548 -56.505 32.836 1.00 0.00 H new ATOM 536 N GLN A 35 -10.272 -55.568 28.267 1.00 0.00 N ATOM 537 CA GLN A 35 -10.738 -55.416 26.894 1.00 0.00 C ATOM 538 C GLN A 35 -9.639 -54.883 25.971 1.00 0.00 C ATOM 539 O GLN A 35 -9.835 -54.778 24.757 1.00 0.00 O ATOM 540 CB GLN A 35 -11.950 -54.493 26.844 1.00 0.00 C ATOM 541 CG GLN A 35 -13.247 -55.128 27.328 1.00 0.00 C ATOM 542 CD GLN A 35 -13.287 -55.383 28.817 1.00 0.00 C ATOM 543 OE1 GLN A 35 -12.869 -56.436 29.295 1.00 0.00 O ATOM 544 NE2 GLN A 35 -13.812 -54.425 29.557 1.00 0.00 N ATOM 0 H GLN A 35 -10.667 -54.892 28.921 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.021 -56.406 26.537 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.744 -53.610 27.450 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.088 -54.151 25.818 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.080 -54.479 27.058 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.395 -56.072 26.804 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.146 -53.567 29.118 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.883 -54.542 30.568 1.00 0.00 H new ATOM 553 N GLY A 36 -8.496 -54.551 26.543 1.00 0.00 N ATOM 554 CA GLY A 36 -7.392 -54.050 25.763 1.00 0.00 C ATOM 555 C GLY A 36 -7.442 -52.552 25.584 1.00 0.00 C ATOM 556 O GLY A 36 -6.823 -52.009 24.666 1.00 0.00 O ATOM 0 H GLY A 36 -8.313 -54.621 27.544 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.455 -54.323 26.248 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.396 -54.530 24.784 1.00 0.00 H new ATOM 560 N LYS A 37 -8.172 -51.876 26.458 1.00 0.00 N ATOM 561 CA LYS A 37 -8.296 -50.436 26.368 1.00 0.00 C ATOM 562 C LYS A 37 -7.388 -49.760 27.371 1.00 0.00 C ATOM 563 O LYS A 37 -6.726 -50.415 28.162 1.00 0.00 O ATOM 564 CB LYS A 37 -9.728 -49.980 26.614 1.00 0.00 C ATOM 565 CG LYS A 37 -10.750 -50.607 25.699 1.00 0.00 C ATOM 566 CD LYS A 37 -12.099 -49.963 25.900 1.00 0.00 C ATOM 567 CE LYS A 37 -13.190 -50.692 25.125 1.00 0.00 C ATOM 568 NZ LYS A 37 -12.907 -50.752 23.669 1.00 0.00 N ATOM 0 H LYS A 37 -8.683 -52.301 27.232 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.006 -50.153 25.356 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.996 -50.206 27.646 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.775 -48.897 26.503 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.437 -50.494 24.661 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.817 -51.677 25.897 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.347 -49.959 26.962 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.057 -48.922 25.579 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.293 -51.705 25.514 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.144 -50.190 25.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.729 -51.150 23.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.717 -49.794 23.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.076 -51.355 23.501 1.00 0.00 H new ATOM 582 N HIS A 38 -7.371 -48.449 27.340 1.00 0.00 N ATOM 583 CA HIS A 38 -6.552 -47.672 28.248 1.00 0.00 C ATOM 584 C HIS A 38 -7.434 -46.899 29.205 1.00 0.00 C ATOM 585 O HIS A 38 -8.594 -46.619 28.905 1.00 0.00 O ATOM 586 CB HIS A 38 -5.675 -46.663 27.490 1.00 0.00 C ATOM 587 CG HIS A 38 -4.566 -47.249 26.673 1.00 0.00 C ATOM 588 ND1 HIS A 38 -3.390 -46.574 26.427 1.00 0.00 N ATOM 589 CD2 HIS A 38 -4.465 -48.425 26.011 1.00 0.00 C ATOM 590 CE1 HIS A 38 -2.616 -47.304 25.658 1.00 0.00 C ATOM 591 NE2 HIS A 38 -3.246 -48.431 25.392 1.00 0.00 N ATOM 0 H HIS A 38 -7.921 -47.890 26.688 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.913 -48.371 28.788 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.315 -46.076 26.831 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.242 -45.971 28.213 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.206 -49.210 25.978 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.633 -47.029 25.304 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.881 -49.189 24.815 1.00 0.00 H new ATOM 599 N VAL A 39 -6.884 -46.567 30.350 1.00 0.00 N ATOM 600 CA VAL A 39 -7.558 -45.707 31.289 1.00 0.00 C ATOM 601 C VAL A 39 -6.757 -44.431 31.442 1.00 0.00 C ATOM 602 O VAL A 39 -5.546 -44.471 31.673 1.00 0.00 O ATOM 603 CB VAL A 39 -7.763 -46.366 32.688 1.00 0.00 C ATOM 604 CG1 VAL A 39 -8.140 -45.315 33.719 1.00 0.00 C ATOM 605 CG2 VAL A 39 -8.861 -47.410 32.630 1.00 0.00 C ATOM 0 H VAL A 39 -5.963 -46.884 30.653 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.552 -45.504 30.891 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.825 -46.841 32.974 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.279 -45.791 34.690 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.345 -44.573 33.790 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.067 -44.826 33.418 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.989 -47.858 33.615 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.794 -46.939 32.321 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.590 -48.184 31.912 1.00 0.00 H new ATOM 615 N ARG A 40 -7.424 -43.315 31.277 1.00 0.00 N ATOM 616 CA ARG A 40 -6.786 -42.026 31.413 1.00 0.00 C ATOM 617 C ARG A 40 -7.166 -41.451 32.756 1.00 0.00 C ATOM 618 O ARG A 40 -8.317 -41.087 32.971 1.00 0.00 O ATOM 619 CB ARG A 40 -7.256 -41.087 30.293 1.00 0.00 C ATOM 620 CG ARG A 40 -6.555 -39.730 30.253 1.00 0.00 C ATOM 621 CD ARG A 40 -7.142 -38.850 29.156 1.00 0.00 C ATOM 622 NE ARG A 40 -6.366 -37.621 28.937 1.00 0.00 N ATOM 623 CZ ARG A 40 -6.811 -36.569 28.231 1.00 0.00 C ATOM 624 NH1 ARG A 40 -8.086 -36.504 27.849 1.00 0.00 N ATOM 625 NH2 ARG A 40 -5.990 -35.565 27.950 1.00 0.00 N ATOM 0 H ARG A 40 -8.417 -43.273 31.046 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.704 -42.135 31.342 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.106 -41.585 29.335 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.328 -40.923 30.403 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.658 -39.234 31.218 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.488 -39.872 30.080 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.186 -39.417 28.226 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.167 -38.586 29.417 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.433 -37.564 29.346 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.730 -37.256 28.093 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.418 -35.702 27.313 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.022 -35.593 28.270 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.327 -34.765 27.414 1.00 0.00 H new ATOM 639 N PHE A 41 -6.220 -41.386 33.660 1.00 0.00 N ATOM 640 CA PHE A 41 -6.502 -40.860 34.973 1.00 0.00 C ATOM 641 C PHE A 41 -6.297 -39.362 34.977 1.00 0.00 C ATOM 642 O PHE A 41 -5.175 -38.874 34.814 1.00 0.00 O ATOM 643 CB PHE A 41 -5.613 -41.517 36.040 1.00 0.00 C ATOM 644 CG PHE A 41 -5.931 -42.967 36.314 1.00 0.00 C ATOM 645 CD1 PHE A 41 -6.972 -43.315 37.161 1.00 0.00 C ATOM 646 CD2 PHE A 41 -5.185 -43.976 35.734 1.00 0.00 C ATOM 647 CE1 PHE A 41 -7.261 -44.639 37.424 1.00 0.00 C ATOM 648 CE2 PHE A 41 -5.471 -45.304 35.993 1.00 0.00 C ATOM 649 CZ PHE A 41 -6.512 -45.634 36.840 1.00 0.00 C ATOM 0 H PHE A 41 -5.257 -41.688 33.514 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.540 -41.086 35.216 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -4.572 -41.440 35.725 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.708 -40.956 36.969 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.565 -42.539 37.622 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.370 -43.724 35.071 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.074 -44.893 38.088 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.881 -46.083 35.533 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.737 -46.671 37.043 1.00 0.00 H new ATOM 659 N ARG A 42 -7.383 -38.639 35.131 1.00 0.00 N ATOM 660 CA ARG A 42 -7.351 -37.192 35.156 1.00 0.00 C ATOM 661 C ARG A 42 -7.791 -36.697 36.517 1.00 0.00 C ATOM 662 O ARG A 42 -8.909 -36.960 36.942 1.00 0.00 O ATOM 663 CB ARG A 42 -8.275 -36.626 34.079 1.00 0.00 C ATOM 664 CG ARG A 42 -7.799 -36.898 32.669 1.00 0.00 C ATOM 665 CD ARG A 42 -8.760 -36.358 31.626 1.00 0.00 C ATOM 666 NE ARG A 42 -8.968 -34.908 31.759 1.00 0.00 N ATOM 667 CZ ARG A 42 -8.149 -33.967 31.275 1.00 0.00 C ATOM 668 NH1 ARG A 42 -6.986 -34.299 30.735 1.00 0.00 N ATOM 669 NH2 ARG A 42 -8.486 -32.691 31.364 1.00 0.00 N ATOM 0 H ARG A 42 -8.315 -39.037 35.243 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.333 -36.857 34.960 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.271 -37.051 34.206 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.368 -35.549 34.221 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.818 -36.446 32.525 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.679 -37.972 32.529 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.374 -36.578 30.631 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.718 -36.870 31.717 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.801 -34.596 32.259 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.708 -35.279 30.685 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.368 -33.575 30.369 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.369 -32.426 31.801 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.863 -31.972 30.996 1.00 0.00 H new ATOM 683 N VAL A 43 -6.937 -35.976 37.185 1.00 0.00 N ATOM 684 CA VAL A 43 -7.248 -35.484 38.507 1.00 0.00 C ATOM 685 C VAL A 43 -7.183 -33.971 38.562 1.00 0.00 C ATOM 686 O VAL A 43 -6.214 -33.357 38.115 1.00 0.00 O ATOM 687 CB VAL A 43 -6.313 -36.088 39.600 1.00 0.00 C ATOM 688 CG1 VAL A 43 -4.858 -35.911 39.240 1.00 0.00 C ATOM 689 CG2 VAL A 43 -6.596 -35.463 40.958 1.00 0.00 C ATOM 0 H VAL A 43 -6.015 -35.712 36.839 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.268 -35.806 38.719 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.522 -37.156 39.654 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.234 -36.343 40.023 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.653 -36.413 38.294 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.634 -34.849 39.142 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.932 -35.899 41.705 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.427 -34.388 40.906 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.632 -35.654 41.238 1.00 0.00 H new ATOM 699 N PHE A 44 -8.232 -33.382 39.092 1.00 0.00 N ATOM 700 CA PHE A 44 -8.301 -31.956 39.273 1.00 0.00 C ATOM 701 C PHE A 44 -7.870 -31.625 40.688 1.00 0.00 C ATOM 702 O PHE A 44 -8.344 -32.248 41.654 1.00 0.00 O ATOM 703 CB PHE A 44 -9.727 -31.455 39.010 1.00 0.00 C ATOM 704 CG PHE A 44 -9.912 -29.977 39.226 1.00 0.00 C ATOM 705 CD1 PHE A 44 -9.529 -29.068 38.255 1.00 0.00 C ATOM 706 CD2 PHE A 44 -10.473 -29.498 40.403 1.00 0.00 C ATOM 707 CE1 PHE A 44 -9.702 -27.711 38.450 1.00 0.00 C ATOM 708 CE2 PHE A 44 -10.645 -28.142 40.605 1.00 0.00 C ATOM 709 CZ PHE A 44 -10.260 -27.249 39.627 1.00 0.00 C ATOM 0 H PHE A 44 -9.062 -33.883 39.409 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.637 -31.460 38.565 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.002 -31.698 37.984 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.415 -31.995 39.660 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.090 -29.423 37.334 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.779 -30.194 41.170 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.401 -27.012 37.683 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.080 -27.782 41.526 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.395 -26.189 39.781 1.00 0.00 H new ATOM 719 N LEU A 45 -6.971 -30.676 40.819 1.00 0.00 N ATOM 720 CA LEU A 45 -6.462 -30.304 42.125 1.00 0.00 C ATOM 721 C LEU A 45 -7.449 -29.412 42.862 1.00 0.00 C ATOM 722 O LEU A 45 -7.361 -28.185 42.799 1.00 0.00 O ATOM 723 CB LEU A 45 -5.115 -29.591 42.009 1.00 0.00 C ATOM 724 CG LEU A 45 -4.016 -30.343 41.260 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.718 -29.579 41.327 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.836 -31.733 41.823 1.00 0.00 C ATOM 0 H LEU A 45 -6.576 -30.147 40.041 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.325 -31.224 42.693 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.275 -28.634 41.512 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.756 -29.371 43.014 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.316 -30.434 40.216 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.945 -30.127 40.789 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.850 -28.597 40.872 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.420 -29.459 42.369 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.048 -32.249 41.274 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.561 -31.666 42.876 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.769 -32.288 41.727 1.00 0.00 H new ATOM 738 N LYS A 46 -8.411 -30.025 43.530 1.00 0.00 N ATOM 739 CA LYS A 46 -9.363 -29.259 44.303 1.00 0.00 C ATOM 740 C LYS A 46 -8.757 -28.959 45.665 1.00 0.00 C ATOM 741 O LYS A 46 -8.409 -29.880 46.415 1.00 0.00 O ATOM 742 CB LYS A 46 -10.682 -30.033 44.492 1.00 0.00 C ATOM 743 CG LYS A 46 -11.918 -29.137 44.610 1.00 0.00 C ATOM 744 CD LYS A 46 -11.787 -28.116 45.728 1.00 0.00 C ATOM 745 CE LYS A 46 -12.991 -27.194 45.789 1.00 0.00 C ATOM 746 NZ LYS A 46 -12.840 -26.156 46.839 1.00 0.00 N ATOM 0 H LYS A 46 -8.550 -31.035 43.551 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.585 -28.336 43.768 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.817 -30.712 43.650 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.605 -30.648 45.388 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.079 -28.619 43.665 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.797 -29.756 44.788 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.675 -28.632 46.681 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.883 -27.525 45.578 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.130 -26.713 44.821 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.888 -27.781 45.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.683 -25.547 46.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.733 -26.614 47.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.998 -25.579 46.638 1.00 0.00 H new ATOM 760 N GLY A 47 -8.628 -27.692 45.977 1.00 0.00 N ATOM 761 CA GLY A 47 -8.074 -27.314 47.243 1.00 0.00 C ATOM 762 C GLY A 47 -7.008 -26.261 47.103 1.00 0.00 C ATOM 763 O GLY A 47 -7.190 -25.278 46.379 1.00 0.00 O ATOM 0 H GLY A 47 -8.898 -26.915 45.374 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.869 -26.941 47.889 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.653 -28.193 47.731 1.00 0.00 H new ATOM 767 N ARG A 48 -5.893 -26.463 47.779 1.00 0.00 N ATOM 768 CA ARG A 48 -4.797 -25.500 47.757 1.00 0.00 C ATOM 769 C ARG A 48 -3.508 -26.170 47.317 1.00 0.00 C ATOM 770 O ARG A 48 -2.425 -25.596 47.402 1.00 0.00 O ATOM 771 CB ARG A 48 -4.650 -24.864 49.134 1.00 0.00 C ATOM 772 CG ARG A 48 -5.845 -24.009 49.505 1.00 0.00 C ATOM 773 CD ARG A 48 -5.761 -23.481 50.917 1.00 0.00 C ATOM 774 NE ARG A 48 -6.934 -22.672 51.235 1.00 0.00 N ATOM 775 CZ ARG A 48 -7.334 -22.366 52.466 1.00 0.00 C ATOM 776 NH1 ARG A 48 -6.631 -22.764 53.518 1.00 0.00 N ATOM 777 NH2 ARG A 48 -8.439 -21.651 52.640 1.00 0.00 N ATOM 0 H ARG A 48 -5.718 -27.287 48.354 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.020 -24.715 47.035 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.521 -25.647 49.881 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.748 -24.252 49.154 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.918 -23.172 48.811 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.757 -24.596 49.394 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.685 -24.312 51.618 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.858 -22.883 51.034 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.487 -22.315 50.456 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.778 -23.308 53.385 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.943 -22.526 54.460 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.977 -21.339 51.832 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.750 -21.414 53.582 1.00 0.00 H new ATOM 791 N GLU A 49 -3.643 -27.391 46.840 1.00 0.00 N ATOM 792 CA GLU A 49 -2.532 -28.183 46.361 1.00 0.00 C ATOM 793 C GLU A 49 -2.150 -27.794 44.939 1.00 0.00 C ATOM 794 O GLU A 49 -1.295 -28.416 44.331 1.00 0.00 O ATOM 795 CB GLU A 49 -2.895 -29.666 46.417 1.00 0.00 C ATOM 796 CG GLU A 49 -3.006 -30.226 47.830 1.00 0.00 C ATOM 797 CD GLU A 49 -4.117 -29.592 48.648 1.00 0.00 C ATOM 798 OE1 GLU A 49 -5.207 -29.341 48.097 1.00 0.00 O ATOM 799 OE2 GLU A 49 -3.896 -29.335 49.850 1.00 0.00 O ATOM 0 H GLU A 49 -4.543 -27.867 46.774 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.673 -27.992 47.005 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.844 -29.817 45.902 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.142 -30.234 45.870 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.176 -31.301 47.774 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.057 -30.079 48.346 1.00 0.00 H new ATOM 806 N MET A 50 -2.777 -26.751 44.425 1.00 0.00 N ATOM 807 CA MET A 50 -2.515 -26.290 43.070 1.00 0.00 C ATOM 808 C MET A 50 -1.083 -25.767 42.948 1.00 0.00 C ATOM 809 O MET A 50 -0.469 -25.836 41.880 1.00 0.00 O ATOM 810 CB MET A 50 -3.523 -25.217 42.664 1.00 0.00 C ATOM 811 CG MET A 50 -4.953 -25.732 42.569 1.00 0.00 C ATOM 812 SD MET A 50 -6.125 -24.462 42.062 1.00 0.00 S ATOM 813 CE MET A 50 -5.595 -24.194 40.375 1.00 0.00 C ATOM 0 H MET A 50 -3.475 -26.203 44.928 1.00 0.00 H new ATOM 0 HA MET A 50 -2.627 -27.135 42.390 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.486 -24.402 43.387 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.230 -24.801 41.700 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.990 -26.557 41.858 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.255 -26.132 43.537 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.387 -23.691 39.820 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.698 -23.575 40.369 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.376 -25.153 39.906 1.00 0.00 H new ATOM 823 N ALA A 51 -0.571 -25.233 44.051 1.00 0.00 N ATOM 824 CA ALA A 51 0.794 -24.722 44.118 1.00 0.00 C ATOM 825 C ALA A 51 1.828 -25.819 43.814 1.00 0.00 C ATOM 826 O ALA A 51 2.933 -25.530 43.349 1.00 0.00 O ATOM 827 CB ALA A 51 1.059 -24.119 45.493 1.00 0.00 C ATOM 0 H ALA A 51 -1.090 -25.142 44.924 1.00 0.00 H new ATOM 0 HA ALA A 51 0.897 -23.949 43.356 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.080 -23.740 45.534 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.361 -23.301 45.672 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.925 -24.884 46.258 1.00 0.00 H new ATOM 833 N THR A 52 1.475 -27.071 44.080 1.00 0.00 N ATOM 834 CA THR A 52 2.387 -28.185 43.847 1.00 0.00 C ATOM 835 C THR A 52 1.630 -29.421 43.348 1.00 0.00 C ATOM 836 O THR A 52 0.826 -30.006 44.067 1.00 0.00 O ATOM 837 CB THR A 52 3.168 -28.536 45.131 1.00 0.00 C ATOM 838 OG1 THR A 52 3.704 -27.334 45.719 1.00 0.00 O ATOM 839 CG2 THR A 52 4.313 -29.487 44.819 1.00 0.00 C ATOM 0 H THR A 52 0.566 -27.340 44.456 1.00 0.00 H new ATOM 0 HA THR A 52 3.094 -27.874 43.078 1.00 0.00 H new ATOM 0 HB THR A 52 2.483 -29.019 45.828 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.198 -27.561 46.535 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.851 -29.722 45.737 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.916 -30.405 44.386 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.994 -29.016 44.110 1.00 0.00 H new ATOM 847 N PRO A 53 1.936 -29.857 42.121 1.00 0.00 N ATOM 848 CA PRO A 53 1.244 -30.980 41.460 1.00 0.00 C ATOM 849 C PRO A 53 1.611 -32.344 42.045 1.00 0.00 C ATOM 850 O PRO A 53 1.142 -33.378 41.566 1.00 0.00 O ATOM 851 CB PRO A 53 1.729 -30.878 40.019 1.00 0.00 C ATOM 852 CG PRO A 53 3.072 -30.239 40.119 1.00 0.00 C ATOM 853 CD PRO A 53 2.995 -29.289 41.271 1.00 0.00 C ATOM 0 HA PRO A 53 0.163 -30.913 41.581 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.791 -31.861 39.551 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.049 -30.279 39.413 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.848 -30.987 40.282 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.323 -29.714 39.197 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.945 -29.226 41.802 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.746 -28.280 40.942 1.00 0.00 H new ATOM 861 N GLU A 54 2.435 -32.336 43.085 1.00 0.00 N ATOM 862 CA GLU A 54 2.882 -33.561 43.734 1.00 0.00 C ATOM 863 C GLU A 54 1.695 -34.354 44.270 1.00 0.00 C ATOM 864 O GLU A 54 1.686 -35.581 44.214 1.00 0.00 O ATOM 865 CB GLU A 54 3.847 -33.230 44.873 1.00 0.00 C ATOM 866 CG GLU A 54 4.403 -34.448 45.589 1.00 0.00 C ATOM 867 CD GLU A 54 5.267 -35.303 44.691 1.00 0.00 C ATOM 868 OE1 GLU A 54 6.331 -34.817 44.249 1.00 0.00 O ATOM 869 OE2 GLU A 54 4.898 -36.469 44.435 1.00 0.00 O ATOM 0 H GLU A 54 2.811 -31.484 43.501 1.00 0.00 H new ATOM 0 HA GLU A 54 3.399 -34.172 42.994 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.677 -32.647 44.474 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.333 -32.599 45.598 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.988 -34.124 46.450 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.578 -35.048 45.973 1.00 0.00 H new ATOM 876 N ALA A 55 0.682 -33.642 44.758 1.00 0.00 N ATOM 877 CA ALA A 55 -0.503 -34.287 45.304 1.00 0.00 C ATOM 878 C ALA A 55 -1.174 -35.143 44.236 1.00 0.00 C ATOM 879 O ALA A 55 -1.568 -36.276 44.492 1.00 0.00 O ATOM 880 CB ALA A 55 -1.474 -33.241 45.837 1.00 0.00 C ATOM 0 H ALA A 55 0.660 -32.623 44.785 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.204 -34.933 46.129 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.356 -33.737 46.243 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.989 -32.662 46.623 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.772 -32.575 45.027 1.00 0.00 H new ATOM 886 N GLY A 56 -1.280 -34.591 43.031 1.00 0.00 N ATOM 887 CA GLY A 56 -1.870 -35.315 41.927 1.00 0.00 C ATOM 888 C GLY A 56 -1.003 -36.472 41.468 1.00 0.00 C ATOM 889 O GLY A 56 -1.503 -37.567 41.219 1.00 0.00 O ATOM 0 H GLY A 56 -0.964 -33.648 42.802 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.848 -35.693 42.225 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.032 -34.632 41.093 1.00 0.00 H new ATOM 893 N VAL A 57 0.299 -36.228 41.370 1.00 0.00 N ATOM 894 CA VAL A 57 1.244 -37.248 40.922 1.00 0.00 C ATOM 895 C VAL A 57 1.281 -38.428 41.894 1.00 0.00 C ATOM 896 O VAL A 57 1.191 -39.591 41.477 1.00 0.00 O ATOM 897 CB VAL A 57 2.667 -36.658 40.762 1.00 0.00 C ATOM 898 CG1 VAL A 57 3.666 -37.740 40.400 1.00 0.00 C ATOM 899 CG2 VAL A 57 2.672 -35.569 39.708 1.00 0.00 C ATOM 0 H VAL A 57 0.727 -35.330 41.595 1.00 0.00 H new ATOM 0 HA VAL A 57 0.901 -37.604 39.951 1.00 0.00 H new ATOM 0 HB VAL A 57 2.962 -36.226 41.718 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.657 -37.299 40.294 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.687 -38.494 41.187 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.373 -38.206 39.459 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.679 -35.165 39.608 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.351 -35.985 38.753 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.989 -34.773 40.004 1.00 0.00 H new ATOM 909 N ALA A 58 1.380 -38.123 43.183 1.00 0.00 N ATOM 910 CA ALA A 58 1.417 -39.147 44.214 1.00 0.00 C ATOM 911 C ALA A 58 0.110 -39.919 44.241 1.00 0.00 C ATOM 912 O ALA A 58 0.095 -41.135 44.458 1.00 0.00 O ATOM 913 CB ALA A 58 1.699 -38.522 45.572 1.00 0.00 C ATOM 0 H ALA A 58 1.436 -37.168 43.538 1.00 0.00 H new ATOM 0 HA ALA A 58 2.222 -39.844 43.983 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.724 -39.302 46.333 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.661 -38.011 45.545 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.914 -37.805 45.812 1.00 0.00 H new ATOM 919 N LEU A 59 -0.984 -39.203 44.013 1.00 0.00 N ATOM 920 CA LEU A 59 -2.304 -39.805 43.982 1.00 0.00 C ATOM 921 C LEU A 59 -2.376 -40.842 42.871 1.00 0.00 C ATOM 922 O LEU A 59 -2.776 -41.986 43.092 1.00 0.00 O ATOM 923 CB LEU A 59 -3.349 -38.715 43.704 1.00 0.00 C ATOM 924 CG LEU A 59 -4.802 -39.176 43.581 1.00 0.00 C ATOM 925 CD1 LEU A 59 -5.348 -39.617 44.916 1.00 0.00 C ATOM 926 CD2 LEU A 59 -5.658 -38.075 43.001 1.00 0.00 C ATOM 0 H LEU A 59 -0.978 -38.197 43.846 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.500 -40.283 44.942 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.292 -37.977 44.504 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.073 -38.206 42.780 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.827 -40.032 42.907 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.383 -39.939 44.798 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.751 -40.446 45.297 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.305 -38.785 45.619 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.689 -38.420 42.920 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.617 -37.202 43.652 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.286 -37.808 42.012 1.00 0.00 H new ATOM 938 N LEU A 60 -1.946 -40.440 41.688 1.00 0.00 N ATOM 939 CA LEU A 60 -1.991 -41.296 40.525 1.00 0.00 C ATOM 940 C LEU A 60 -1.075 -42.501 40.674 1.00 0.00 C ATOM 941 O LEU A 60 -1.448 -43.621 40.325 1.00 0.00 O ATOM 942 CB LEU A 60 -1.639 -40.509 39.267 1.00 0.00 C ATOM 943 CG LEU A 60 -2.603 -39.372 38.903 1.00 0.00 C ATOM 944 CD1 LEU A 60 -2.154 -38.676 37.649 1.00 0.00 C ATOM 945 CD2 LEU A 60 -4.012 -39.884 38.741 1.00 0.00 C ATOM 0 H LEU A 60 -1.558 -39.514 41.511 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.011 -41.669 40.433 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.641 -40.089 39.391 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.591 -41.203 38.428 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.594 -38.654 39.723 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.851 -37.873 37.409 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.159 -38.259 37.801 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.126 -39.391 36.826 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.673 -39.056 38.483 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.039 -40.630 37.947 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.345 -40.336 39.675 1.00 0.00 H new ATOM 957 N GLU A 61 0.126 -42.277 41.204 1.00 0.00 N ATOM 958 CA GLU A 61 1.079 -43.368 41.370 1.00 0.00 C ATOM 959 C GLU A 61 0.625 -44.386 42.421 1.00 0.00 C ATOM 960 O GLU A 61 0.871 -45.588 42.271 1.00 0.00 O ATOM 961 CB GLU A 61 2.490 -42.852 41.666 1.00 0.00 C ATOM 962 CG GLU A 61 3.110 -42.107 40.494 1.00 0.00 C ATOM 963 CD GLU A 61 4.571 -41.794 40.700 1.00 0.00 C ATOM 964 OE1 GLU A 61 4.890 -40.722 41.245 1.00 0.00 O ATOM 965 OE2 GLU A 61 5.421 -42.630 40.306 1.00 0.00 O ATOM 0 H GLU A 61 0.457 -41.366 41.521 1.00 0.00 H new ATOM 0 HA GLU A 61 1.115 -43.893 40.415 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.455 -42.191 42.532 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.129 -43.693 41.934 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.996 -42.705 39.590 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.564 -41.177 40.332 1.00 0.00 H new ATOM 972 N LYS A 62 -0.032 -43.914 43.478 1.00 0.00 N ATOM 973 CA LYS A 62 -0.540 -44.816 44.515 1.00 0.00 C ATOM 974 C LYS A 62 -1.595 -45.736 43.910 1.00 0.00 C ATOM 975 O LYS A 62 -1.625 -46.938 44.170 1.00 0.00 O ATOM 976 CB LYS A 62 -1.140 -44.025 45.685 1.00 0.00 C ATOM 977 CG LYS A 62 -1.486 -44.885 46.891 1.00 0.00 C ATOM 978 CD LYS A 62 -1.956 -44.040 48.062 1.00 0.00 C ATOM 979 CE LYS A 62 -2.267 -44.910 49.271 1.00 0.00 C ATOM 980 NZ LYS A 62 -2.618 -44.103 50.465 1.00 0.00 N ATOM 0 H LYS A 62 -0.225 -42.926 43.641 1.00 0.00 H new ATOM 0 HA LYS A 62 0.289 -45.410 44.900 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.433 -43.254 45.991 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.041 -43.515 45.343 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.265 -45.597 46.619 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.612 -45.466 47.188 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.188 -43.312 48.321 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.845 -43.477 47.776 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.093 -45.580 49.032 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.404 -45.536 49.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.031 -44.401 51.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.448 -43.096 50.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.622 -44.245 50.697 1.00 0.00 H new ATOM 994 N ILE A 63 -2.447 -45.143 43.094 1.00 0.00 N ATOM 995 CA ILE A 63 -3.494 -45.856 42.384 1.00 0.00 C ATOM 996 C ILE A 63 -2.873 -46.845 41.398 1.00 0.00 C ATOM 997 O ILE A 63 -3.293 -48.001 41.294 1.00 0.00 O ATOM 998 CB ILE A 63 -4.391 -44.841 41.645 1.00 0.00 C ATOM 999 CG1 ILE A 63 -5.121 -43.997 42.681 1.00 0.00 C ATOM 1000 CG2 ILE A 63 -5.375 -45.534 40.715 1.00 0.00 C ATOM 1001 CD1 ILE A 63 -5.937 -42.877 42.106 1.00 0.00 C ATOM 0 H ILE A 63 -2.432 -44.141 42.903 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.104 -46.416 43.093 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.768 -44.202 41.019 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.776 -44.645 43.264 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.389 -43.579 43.372 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.989 -44.787 40.213 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.827 -46.113 39.971 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.015 -46.200 41.294 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.422 -42.328 42.913 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.287 -42.203 41.548 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.695 -43.285 41.438 1.00 0.00 H new ATOM 1013 N TRP A 64 -1.859 -46.376 40.706 1.00 0.00 N ATOM 1014 CA TRP A 64 -1.089 -47.176 39.768 1.00 0.00 C ATOM 1015 C TRP A 64 -0.481 -48.416 40.441 1.00 0.00 C ATOM 1016 O TRP A 64 -0.491 -49.499 39.870 1.00 0.00 O ATOM 1017 CB TRP A 64 0.002 -46.300 39.127 1.00 0.00 C ATOM 1018 CG TRP A 64 1.187 -47.059 38.634 1.00 0.00 C ATOM 1019 CD1 TRP A 64 2.439 -47.016 39.156 1.00 0.00 C ATOM 1020 CD2 TRP A 64 1.240 -47.987 37.551 1.00 0.00 C ATOM 1021 NE1 TRP A 64 3.263 -47.850 38.462 1.00 0.00 N ATOM 1022 CE2 TRP A 64 2.558 -48.461 37.481 1.00 0.00 C ATOM 1023 CE3 TRP A 64 0.307 -48.465 36.637 1.00 0.00 C ATOM 1024 CZ2 TRP A 64 2.967 -49.386 36.546 1.00 0.00 C ATOM 1025 CZ3 TRP A 64 0.719 -49.385 35.703 1.00 0.00 C ATOM 1026 CH2 TRP A 64 2.040 -49.838 35.669 1.00 0.00 C ATOM 0 H TRP A 64 -1.537 -45.411 40.778 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.760 -47.541 38.990 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.434 -45.749 38.294 1.00 0.00 H new ATOM 0 HB3 TRP A 64 0.335 -45.563 39.857 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.738 -46.410 39.998 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.255 -47.992 38.652 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.717 -48.121 36.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.988 -49.737 36.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.009 -49.764 34.983 1.00 0.00 H new ATOM 0 HH2 TRP A 64 2.329 -50.566 34.925 1.00 0.00 H new ATOM 1037 N THR A 65 0.005 -48.252 41.660 1.00 0.00 N ATOM 1038 CA THR A 65 0.641 -49.343 42.388 1.00 0.00 C ATOM 1039 C THR A 65 -0.342 -50.514 42.612 1.00 0.00 C ATOM 1040 O THR A 65 0.060 -51.677 42.690 1.00 0.00 O ATOM 1041 CB THR A 65 1.189 -48.844 43.749 1.00 0.00 C ATOM 1042 OG1 THR A 65 2.118 -47.763 43.527 1.00 0.00 O ATOM 1043 CG2 THR A 65 1.897 -49.962 44.508 1.00 0.00 C ATOM 0 H THR A 65 -0.028 -47.370 42.171 1.00 0.00 H new ATOM 0 HA THR A 65 1.472 -49.704 41.782 1.00 0.00 H new ATOM 0 HB THR A 65 0.345 -48.502 44.347 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.645 -47.002 43.130 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.269 -49.578 45.458 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.196 -50.775 44.695 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.733 -50.333 43.914 1.00 0.00 H new ATOM 1051 N MET A 66 -1.619 -50.198 42.706 1.00 0.00 N ATOM 1052 CA MET A 66 -2.649 -51.207 42.905 1.00 0.00 C ATOM 1053 C MET A 66 -2.895 -52.050 41.640 1.00 0.00 C ATOM 1054 O MET A 66 -3.182 -53.241 41.729 1.00 0.00 O ATOM 1055 CB MET A 66 -3.948 -50.551 43.360 1.00 0.00 C ATOM 1056 CG MET A 66 -3.863 -49.925 44.737 1.00 0.00 C ATOM 1057 SD MET A 66 -5.421 -49.193 45.265 1.00 0.00 S ATOM 1058 CE MET A 66 -4.913 -48.414 46.791 1.00 0.00 C ATOM 0 H MET A 66 -1.973 -49.243 42.648 1.00 0.00 H new ATOM 0 HA MET A 66 -2.292 -51.884 43.681 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.230 -49.784 42.638 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.742 -51.298 43.358 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.560 -50.684 45.458 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.088 -49.158 44.736 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.759 -48.373 47.478 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.106 -48.991 47.243 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.564 -47.402 46.584 1.00 0.00 H new ATOM 1068 N ILE A 67 -2.787 -51.426 40.470 1.00 0.00 N ATOM 1069 CA ILE A 67 -3.109 -52.101 39.204 1.00 0.00 C ATOM 1070 C ILE A 67 -1.874 -52.559 38.411 1.00 0.00 C ATOM 1071 O ILE A 67 -2.007 -53.272 37.417 1.00 0.00 O ATOM 1072 CB ILE A 67 -3.974 -51.188 38.304 1.00 0.00 C ATOM 1073 CG1 ILE A 67 -3.251 -49.862 38.029 1.00 0.00 C ATOM 1074 CG2 ILE A 67 -5.329 -50.938 38.945 1.00 0.00 C ATOM 1075 CD1 ILE A 67 -3.994 -48.955 37.079 1.00 0.00 C ATOM 0 H ILE A 67 -2.481 -50.459 40.366 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.661 -52.997 39.486 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.134 -51.694 37.352 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.098 -49.339 38.973 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.264 -50.074 37.618 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.924 -50.294 38.298 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.845 -51.887 39.086 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.190 -50.453 39.911 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.424 -48.037 36.931 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.124 -49.459 36.121 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.971 -48.712 37.497 1.00 0.00 H new ATOM 1087 N GLU A 68 -0.690 -52.173 38.862 1.00 0.00 N ATOM 1088 CA GLU A 68 0.570 -52.495 38.159 1.00 0.00 C ATOM 1089 C GLU A 68 0.805 -54.011 37.989 1.00 0.00 C ATOM 1090 O GLU A 68 1.633 -54.426 37.182 1.00 0.00 O ATOM 1091 CB GLU A 68 1.761 -51.868 38.885 1.00 0.00 C ATOM 1092 CG GLU A 68 1.903 -52.322 40.320 1.00 0.00 C ATOM 1093 CD GLU A 68 3.140 -51.786 41.005 1.00 0.00 C ATOM 1094 OE1 GLU A 68 3.455 -50.587 40.846 1.00 0.00 O ATOM 1095 OE2 GLU A 68 3.798 -52.567 41.728 1.00 0.00 O ATOM 0 H GLU A 68 -0.562 -51.632 39.717 1.00 0.00 H new ATOM 0 HA GLU A 68 0.476 -52.073 37.158 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.675 -52.112 38.344 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.658 -50.783 38.865 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.023 -52.008 40.881 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.926 -53.411 40.347 1.00 0.00 H new ATOM 1102 N ASN A 69 0.079 -54.821 38.738 1.00 0.00 N ATOM 1103 CA ASN A 69 0.257 -56.277 38.694 1.00 0.00 C ATOM 1104 C ASN A 69 -0.244 -56.896 37.386 1.00 0.00 C ATOM 1105 O ASN A 69 0.051 -58.055 37.089 1.00 0.00 O ATOM 1106 CB ASN A 69 -0.387 -56.960 39.910 1.00 0.00 C ATOM 1107 CG ASN A 69 -1.826 -56.548 40.163 1.00 0.00 C ATOM 1108 OD1 ASN A 69 -2.567 -56.202 39.249 1.00 0.00 O ATOM 1109 ND2 ASN A 69 -2.227 -56.587 41.415 1.00 0.00 N ATOM 0 H ASN A 69 -0.641 -54.504 39.387 1.00 0.00 H new ATOM 0 HA ASN A 69 1.332 -56.455 38.734 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.349 -58.040 39.769 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.206 -56.734 40.796 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.183 -56.324 41.653 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.582 -56.880 42.148 1.00 0.00 H new ATOM 1116 N GLU A 70 -1.005 -56.133 36.624 1.00 0.00 N ATOM 1117 CA GLU A 70 -1.492 -56.587 35.328 1.00 0.00 C ATOM 1118 C GLU A 70 -1.673 -55.401 34.387 1.00 0.00 C ATOM 1119 O GLU A 70 -2.487 -55.431 33.457 1.00 0.00 O ATOM 1120 CB GLU A 70 -2.796 -57.380 35.478 1.00 0.00 C ATOM 1121 CG GLU A 70 -3.906 -56.635 36.186 1.00 0.00 C ATOM 1122 CD GLU A 70 -5.171 -57.457 36.275 1.00 0.00 C ATOM 1123 OE1 GLU A 70 -5.902 -57.555 35.263 1.00 0.00 O ATOM 1124 OE2 GLU A 70 -5.442 -58.027 37.354 1.00 0.00 O ATOM 0 H GLU A 70 -1.302 -55.191 36.879 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.749 -57.257 34.895 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.145 -57.671 34.487 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.586 -58.299 36.025 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.578 -56.364 37.190 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.114 -55.705 35.657 1.00 0.00 H new ATOM 1131 N ALA A 71 -0.854 -54.388 34.600 1.00 0.00 N ATOM 1132 CA ALA A 71 -0.931 -53.149 33.843 1.00 0.00 C ATOM 1133 C ALA A 71 0.453 -52.562 33.683 1.00 0.00 C ATOM 1134 O ALA A 71 1.332 -52.819 34.494 1.00 0.00 O ATOM 1135 CB ALA A 71 -1.851 -52.146 34.552 1.00 0.00 C ATOM 0 H ALA A 71 -0.115 -54.399 35.303 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.346 -53.362 32.858 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.898 -51.224 33.973 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.851 -52.570 34.642 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.458 -51.931 35.546 1.00 0.00 H new ATOM 1141 N ASN A 72 0.653 -51.800 32.631 1.00 0.00 N ATOM 1142 CA ASN A 72 1.930 -51.157 32.395 1.00 0.00 C ATOM 1143 C ASN A 72 1.740 -49.650 32.258 1.00 0.00 C ATOM 1144 O ASN A 72 0.786 -49.189 31.615 1.00 0.00 O ATOM 1145 CB ASN A 72 2.643 -51.738 31.158 1.00 0.00 C ATOM 1146 CG ASN A 72 1.835 -51.628 29.883 1.00 0.00 C ATOM 1147 OD1 ASN A 72 1.942 -50.656 29.142 1.00 0.00 O ATOM 1148 ND2 ASN A 72 1.027 -52.630 29.618 1.00 0.00 N ATOM 0 H ASN A 72 -0.054 -51.609 31.922 1.00 0.00 H new ATOM 0 HA ASN A 72 2.570 -51.354 33.255 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.593 -51.222 31.021 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.874 -52.787 31.342 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.460 -52.617 28.770 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.967 -53.420 30.260 1.00 0.00 H new ATOM 1155 N ARG A 73 2.614 -48.886 32.904 1.00 0.00 N ATOM 1156 CA ARG A 73 2.563 -47.458 32.865 1.00 0.00 C ATOM 1157 C ARG A 73 2.966 -46.959 31.488 1.00 0.00 C ATOM 1158 O ARG A 73 4.128 -47.085 31.093 1.00 0.00 O ATOM 1159 CB ARG A 73 3.509 -46.890 33.916 1.00 0.00 C ATOM 1160 CG ARG A 73 3.635 -45.397 33.845 1.00 0.00 C ATOM 1161 CD ARG A 73 4.642 -44.839 34.848 1.00 0.00 C ATOM 1162 NE ARG A 73 4.206 -44.975 36.246 1.00 0.00 N ATOM 1163 CZ ARG A 73 4.892 -44.477 37.289 1.00 0.00 C ATOM 1164 NH1 ARG A 73 6.071 -43.889 37.090 1.00 0.00 N ATOM 1165 NH2 ARG A 73 4.417 -44.583 38.522 1.00 0.00 N ATOM 0 H ARG A 73 3.377 -49.258 33.469 1.00 0.00 H new ATOM 0 HA ARG A 73 1.545 -47.129 33.074 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.154 -47.172 34.907 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.494 -47.339 33.790 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.936 -45.110 32.837 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.660 -44.946 34.027 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.595 -45.353 34.720 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.816 -43.785 34.630 1.00 0.00 H new ATOM 0 HE ARG A 73 3.336 -45.474 36.434 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.452 -43.817 36.147 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.592 -43.511 37.881 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.523 -45.046 38.686 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.945 -44.202 39.307 1.00 0.00 H new ATOM 1179 N ASP A 74 2.013 -46.415 30.749 1.00 0.00 N ATOM 1180 CA ASP A 74 2.310 -45.873 29.433 1.00 0.00 C ATOM 1181 C ASP A 74 3.152 -44.623 29.572 1.00 0.00 C ATOM 1182 O ASP A 74 4.127 -44.428 28.849 1.00 0.00 O ATOM 1183 CB ASP A 74 1.032 -45.560 28.654 1.00 0.00 C ATOM 1184 CG ASP A 74 1.326 -45.025 27.262 1.00 0.00 C ATOM 1185 OD1 ASP A 74 1.809 -45.809 26.407 1.00 0.00 O ATOM 1186 OD2 ASP A 74 1.076 -43.826 27.007 1.00 0.00 O ATOM 0 H ASP A 74 1.037 -46.337 31.034 1.00 0.00 H new ATOM 0 HA ASP A 74 2.864 -46.627 28.874 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.427 -46.463 28.574 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.442 -44.828 29.206 1.00 0.00 H new ATOM 1191 N LYS A 75 2.776 -43.786 30.521 1.00 0.00 N ATOM 1192 CA LYS A 75 3.493 -42.560 30.777 1.00 0.00 C ATOM 1193 C LYS A 75 3.309 -42.121 32.221 1.00 0.00 C ATOM 1194 O LYS A 75 2.243 -42.318 32.814 1.00 0.00 O ATOM 1195 CB LYS A 75 3.039 -41.446 29.824 1.00 0.00 C ATOM 1196 CG LYS A 75 3.813 -40.136 29.990 1.00 0.00 C ATOM 1197 CD LYS A 75 5.292 -40.320 29.665 1.00 0.00 C ATOM 1198 CE LYS A 75 6.087 -39.033 29.856 1.00 0.00 C ATOM 1199 NZ LYS A 75 6.277 -38.684 31.291 1.00 0.00 N ATOM 0 H LYS A 75 1.971 -43.939 31.129 1.00 0.00 H new ATOM 0 HA LYS A 75 4.552 -42.751 30.602 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.148 -41.793 28.797 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.978 -41.253 29.985 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.387 -39.374 29.337 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.706 -39.775 31.013 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.708 -41.100 30.302 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.396 -40.660 28.635 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.062 -39.138 29.380 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.573 -38.215 29.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.606 -37.701 31.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.374 -38.787 31.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.984 -39.320 31.712 1.00 0.00 H new ATOM 1213 N GLU A 76 4.365 -41.560 32.782 1.00 0.00 N ATOM 1214 CA GLU A 76 4.352 -41.023 34.132 1.00 0.00 C ATOM 1215 C GLU A 76 3.354 -39.868 34.222 1.00 0.00 C ATOM 1216 O GLU A 76 3.029 -39.252 33.203 1.00 0.00 O ATOM 1217 CB GLU A 76 5.742 -40.505 34.469 1.00 0.00 C ATOM 1218 CG GLU A 76 6.840 -41.485 34.149 1.00 0.00 C ATOM 1219 CD GLU A 76 8.151 -40.794 33.902 1.00 0.00 C ATOM 1220 OE1 GLU A 76 8.234 -40.016 32.923 1.00 0.00 O ATOM 1221 OE2 GLU A 76 9.107 -41.035 34.662 1.00 0.00 O ATOM 0 H GLU A 76 5.264 -41.463 32.310 1.00 0.00 H new ATOM 0 HA GLU A 76 4.061 -41.806 34.832 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.920 -39.580 33.920 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.783 -40.259 35.530 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.950 -42.189 34.974 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.564 -42.066 33.269 1.00 0.00 H new ATOM 1228 N PRO A 77 2.863 -39.550 35.433 1.00 0.00 N ATOM 1229 CA PRO A 77 1.914 -38.453 35.625 1.00 0.00 C ATOM 1230 C PRO A 77 2.487 -37.117 35.168 1.00 0.00 C ATOM 1231 O PRO A 77 3.679 -36.838 35.341 1.00 0.00 O ATOM 1232 CB PRO A 77 1.671 -38.434 37.134 1.00 0.00 C ATOM 1233 CG PRO A 77 2.070 -39.792 37.605 1.00 0.00 C ATOM 1234 CD PRO A 77 3.181 -40.229 36.699 1.00 0.00 C ATOM 0 HA PRO A 77 1.005 -38.599 35.041 1.00 0.00 H new ATOM 0 HB2 PRO A 77 2.263 -37.658 37.620 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.625 -38.228 37.363 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.400 -39.764 38.643 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.230 -40.485 37.556 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.156 -39.930 37.083 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.203 -41.312 36.581 1.00 0.00 H new ATOM 1242 N ASN A 78 1.641 -36.304 34.582 1.00 0.00 N ATOM 1243 CA ASN A 78 2.044 -35.005 34.062 1.00 0.00 C ATOM 1244 C ASN A 78 1.011 -33.957 34.402 1.00 0.00 C ATOM 1245 O ASN A 78 -0.192 -34.174 34.227 1.00 0.00 O ATOM 1246 CB ASN A 78 2.239 -35.076 32.541 1.00 0.00 C ATOM 1247 CG ASN A 78 2.638 -33.742 31.921 1.00 0.00 C ATOM 1248 OD1 ASN A 78 3.815 -33.381 31.898 1.00 0.00 O ATOM 1249 ND2 ASN A 78 1.667 -33.021 31.385 1.00 0.00 N ATOM 0 H ASN A 78 0.653 -36.518 34.449 1.00 0.00 H new ATOM 0 HA ASN A 78 2.991 -34.727 34.526 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.005 -35.818 32.314 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.314 -35.421 32.079 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.882 -32.132 30.933 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.704 -33.354 31.424 1.00 0.00 H new ATOM 1256 N PHE A 79 1.475 -32.830 34.888 1.00 0.00 N ATOM 1257 CA PHE A 79 0.595 -31.740 35.245 1.00 0.00 C ATOM 1258 C PHE A 79 0.346 -30.856 34.035 1.00 0.00 C ATOM 1259 O PHE A 79 1.276 -30.277 33.464 1.00 0.00 O ATOM 1260 CB PHE A 79 1.186 -30.933 36.406 1.00 0.00 C ATOM 1261 CG PHE A 79 0.371 -29.737 36.828 1.00 0.00 C ATOM 1262 CD1 PHE A 79 -0.760 -29.890 37.617 1.00 0.00 C ATOM 1263 CD2 PHE A 79 0.749 -28.459 36.453 1.00 0.00 C ATOM 1264 CE1 PHE A 79 -1.495 -28.792 38.020 1.00 0.00 C ATOM 1265 CE2 PHE A 79 0.016 -27.358 36.853 1.00 0.00 C ATOM 1266 CZ PHE A 79 -1.107 -27.526 37.637 1.00 0.00 C ATOM 0 H PHE A 79 2.465 -32.642 35.047 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.361 -32.148 35.574 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.306 -31.594 37.265 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.183 -30.594 36.123 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.069 -30.879 37.920 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.628 -28.321 35.840 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.373 -28.925 38.635 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.322 -26.367 36.552 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.681 -26.667 37.950 1.00 0.00 H new ATOM 1276 N GLU A 80 -0.901 -30.776 33.649 1.00 0.00 N ATOM 1277 CA GLU A 80 -1.307 -30.002 32.510 1.00 0.00 C ATOM 1278 C GLU A 80 -2.481 -29.115 32.879 1.00 0.00 C ATOM 1279 O GLU A 80 -3.588 -29.608 33.132 1.00 0.00 O ATOM 1280 CB GLU A 80 -1.694 -30.937 31.371 1.00 0.00 C ATOM 1281 CG GLU A 80 -2.174 -30.229 30.124 1.00 0.00 C ATOM 1282 CD GLU A 80 -2.553 -31.190 29.029 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -3.315 -32.142 29.305 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -2.096 -31.001 27.887 1.00 0.00 O ATOM 0 H GLU A 80 -1.669 -31.252 34.123 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.479 -29.371 32.189 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.834 -31.556 31.116 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.478 -31.609 31.718 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.034 -29.606 30.371 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.391 -29.562 29.764 1.00 0.00 H new ATOM 1291 N GLY A 81 -2.238 -27.818 32.923 1.00 0.00 N ATOM 1292 CA GLY A 81 -3.283 -26.883 33.259 1.00 0.00 C ATOM 1293 C GLY A 81 -3.675 -26.986 34.711 1.00 0.00 C ATOM 1294 O GLY A 81 -3.029 -26.399 35.578 1.00 0.00 O ATOM 0 H GLY A 81 -1.330 -27.395 32.731 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.947 -25.869 33.043 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.155 -27.070 32.632 1.00 0.00 H new ATOM 1298 N ARG A 82 -4.737 -27.715 34.974 1.00 0.00 N ATOM 1299 CA ARG A 82 -5.203 -27.932 36.333 1.00 0.00 C ATOM 1300 C ARG A 82 -5.396 -29.418 36.603 1.00 0.00 C ATOM 1301 O ARG A 82 -5.925 -29.807 37.644 1.00 0.00 O ATOM 1302 CB ARG A 82 -6.505 -27.172 36.585 1.00 0.00 C ATOM 1303 CG ARG A 82 -6.336 -25.662 36.603 1.00 0.00 C ATOM 1304 CD ARG A 82 -7.663 -24.963 36.817 1.00 0.00 C ATOM 1305 NE ARG A 82 -7.510 -23.512 36.883 1.00 0.00 N ATOM 1306 CZ ARG A 82 -8.524 -22.653 36.939 1.00 0.00 C ATOM 1307 NH1 ARG A 82 -9.779 -23.094 36.870 1.00 0.00 N ATOM 1308 NH2 ARG A 82 -8.284 -21.350 37.051 1.00 0.00 N ATOM 0 H ARG A 82 -5.302 -28.173 34.259 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.444 -27.552 37.017 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.227 -27.439 35.813 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -6.925 -27.493 37.538 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.642 -25.381 37.395 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.896 -25.332 35.662 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.344 -25.220 36.005 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.118 -25.322 37.740 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.563 -23.132 36.886 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.964 -24.092 36.774 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.555 -22.433 36.913 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.323 -21.010 37.094 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.061 -20.690 37.094 1.00 0.00 H new ATOM 1322 N TYR A 83 -4.964 -30.239 35.662 1.00 0.00 N ATOM 1323 CA TYR A 83 -5.100 -31.676 35.787 1.00 0.00 C ATOM 1324 C TYR A 83 -3.770 -32.384 35.764 1.00 0.00 C ATOM 1325 O TYR A 83 -2.866 -32.012 35.024 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.967 -32.253 34.671 1.00 0.00 C ATOM 1327 CG TYR A 83 -7.445 -32.004 34.807 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -8.027 -30.829 34.355 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -8.266 -32.969 35.364 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -9.390 -30.629 34.456 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -9.619 -32.778 35.475 1.00 0.00 C ATOM 1332 CZ TYR A 83 -10.180 -31.614 35.021 1.00 0.00 C ATOM 1333 OH TYR A 83 -11.540 -31.438 35.115 1.00 0.00 O ATOM 0 H TYR A 83 -4.514 -29.931 34.800 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.574 -31.843 36.754 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.632 -31.836 33.721 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.800 -33.329 34.624 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.406 -30.060 33.918 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.832 -33.892 35.719 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.835 -29.712 34.097 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.240 -33.542 35.919 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.992 -32.045 34.493 1.00 0.00 H new ATOM 1343 N VAL A 84 -3.669 -33.402 36.573 1.00 0.00 N ATOM 1344 CA VAL A 84 -2.530 -34.280 36.557 1.00 0.00 C ATOM 1345 C VAL A 84 -2.972 -35.566 35.851 1.00 0.00 C ATOM 1346 O VAL A 84 -3.906 -36.233 36.291 1.00 0.00 O ATOM 1347 CB VAL A 84 -2.022 -34.582 37.996 1.00 0.00 C ATOM 1348 CG1 VAL A 84 -0.846 -35.532 37.984 1.00 0.00 C ATOM 1349 CG2 VAL A 84 -1.631 -33.297 38.697 1.00 0.00 C ATOM 0 H VAL A 84 -4.377 -33.648 37.265 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.697 -33.813 36.032 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.839 -35.059 38.538 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.519 -35.719 39.007 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.143 -36.473 37.520 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.027 -35.090 37.416 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.278 -33.524 39.703 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.837 -32.804 38.136 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.497 -32.637 38.757 1.00 0.00 H new ATOM 1359 N ASN A 85 -2.336 -35.871 34.741 1.00 0.00 N ATOM 1360 CA ASN A 85 -2.743 -36.995 33.894 1.00 0.00 C ATOM 1361 C ASN A 85 -1.758 -38.146 33.950 1.00 0.00 C ATOM 1362 O ASN A 85 -0.549 -37.934 34.047 1.00 0.00 O ATOM 1363 CB ASN A 85 -2.870 -36.525 32.441 1.00 0.00 C ATOM 1364 CG ASN A 85 -4.070 -35.641 32.184 1.00 0.00 C ATOM 1365 OD1 ASN A 85 -5.135 -36.121 31.815 1.00 0.00 O ATOM 1366 ND2 ASN A 85 -3.900 -34.341 32.365 1.00 0.00 N ATOM 0 H ASN A 85 -1.526 -35.357 34.393 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.701 -37.352 34.272 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.966 -35.982 32.165 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.929 -37.398 31.791 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.673 -33.697 32.196 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.996 -33.983 32.673 1.00 0.00 H new ATOM 1373 N MET A 86 -2.284 -39.361 33.892 1.00 0.00 N ATOM 1374 CA MET A 86 -1.469 -40.572 33.824 1.00 0.00 C ATOM 1375 C MET A 86 -2.230 -41.652 33.047 1.00 0.00 C ATOM 1376 O MET A 86 -3.443 -41.814 33.223 1.00 0.00 O ATOM 1377 CB MET A 86 -1.077 -41.059 35.238 1.00 0.00 C ATOM 1378 CG MET A 86 -0.152 -42.283 35.272 1.00 0.00 C ATOM 1379 SD MET A 86 -1.044 -43.848 35.315 1.00 0.00 S ATOM 1380 CE MET A 86 -1.831 -43.749 36.923 1.00 0.00 C ATOM 0 H MET A 86 -3.288 -39.538 33.891 1.00 0.00 H new ATOM 0 HA MET A 86 -0.541 -40.351 33.297 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.589 -40.239 35.765 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.987 -41.295 35.789 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.495 -42.265 34.395 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.495 -42.217 36.147 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.179 -44.738 37.219 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.114 -43.382 37.657 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.679 -43.066 36.872 1.00 0.00 H new ATOM 1390 N LEU A 87 -1.528 -42.353 32.171 1.00 0.00 N ATOM 1391 CA LEU A 87 -2.131 -43.386 31.341 1.00 0.00 C ATOM 1392 C LEU A 87 -1.629 -44.778 31.690 1.00 0.00 C ATOM 1393 O LEU A 87 -0.420 -45.003 31.854 1.00 0.00 O ATOM 1394 CB LEU A 87 -1.870 -43.099 29.864 1.00 0.00 C ATOM 1395 CG LEU A 87 -2.811 -42.104 29.191 1.00 0.00 C ATOM 1396 CD1 LEU A 87 -2.228 -41.636 27.865 1.00 0.00 C ATOM 1397 CD2 LEU A 87 -4.164 -42.757 28.958 1.00 0.00 C ATOM 0 H LEU A 87 -0.528 -42.224 32.015 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.203 -43.365 31.537 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.850 -42.727 29.763 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.921 -44.041 29.318 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.934 -41.239 29.843 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.911 -40.927 27.397 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.267 -41.153 28.040 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.088 -42.493 27.206 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.834 -42.044 28.477 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -4.041 -43.629 28.316 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.588 -43.066 29.913 1.00 0.00 H new ATOM 1409 N VAL A 88 -2.560 -45.709 31.794 1.00 0.00 N ATOM 1410 CA VAL A 88 -2.238 -47.097 32.050 1.00 0.00 C ATOM 1411 C VAL A 88 -2.678 -47.969 30.890 1.00 0.00 C ATOM 1412 O VAL A 88 -3.792 -47.824 30.364 1.00 0.00 O ATOM 1413 CB VAL A 88 -2.876 -47.632 33.353 1.00 0.00 C ATOM 1414 CG1 VAL A 88 -2.208 -47.023 34.563 1.00 0.00 C ATOM 1415 CG2 VAL A 88 -4.375 -47.361 33.376 1.00 0.00 C ATOM 0 H VAL A 88 -3.559 -45.522 31.703 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.155 -47.141 32.166 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.726 -48.711 33.384 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.672 -47.413 35.469 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.148 -47.277 34.560 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.322 -45.939 34.534 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.800 -47.747 34.302 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.552 -46.287 33.315 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.847 -47.855 32.527 1.00 0.00 H new ATOM 1425 N THR A 89 -1.804 -48.841 30.477 1.00 0.00 N ATOM 1426 CA THR A 89 -2.090 -49.757 29.412 1.00 0.00 C ATOM 1427 C THR A 89 -2.223 -51.154 30.004 1.00 0.00 C ATOM 1428 O THR A 89 -1.520 -51.484 30.965 1.00 0.00 O ATOM 1429 CB THR A 89 -0.942 -49.744 28.382 1.00 0.00 C ATOM 1430 OG1 THR A 89 -0.614 -48.389 28.052 1.00 0.00 O ATOM 1431 CG2 THR A 89 -1.313 -50.487 27.112 1.00 0.00 C ATOM 0 H THR A 89 -0.868 -48.937 30.872 1.00 0.00 H new ATOM 0 HA THR A 89 -3.014 -49.466 28.912 1.00 0.00 H new ATOM 0 HB THR A 89 -0.087 -50.248 28.832 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.116 -48.379 27.399 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.477 -50.454 26.414 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.544 -51.525 27.352 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.185 -50.017 26.657 1.00 0.00 H new ATOM 1439 N PRO A 90 -3.130 -51.981 29.476 1.00 0.00 N ATOM 1440 CA PRO A 90 -3.286 -53.353 29.940 1.00 0.00 C ATOM 1441 C PRO A 90 -2.027 -54.141 29.615 1.00 0.00 C ATOM 1442 O PRO A 90 -1.305 -53.790 28.674 1.00 0.00 O ATOM 1443 CB PRO A 90 -4.498 -53.849 29.142 1.00 0.00 C ATOM 1444 CG PRO A 90 -4.463 -53.028 27.911 1.00 0.00 C ATOM 1445 CD PRO A 90 -4.054 -51.669 28.377 1.00 0.00 C ATOM 0 HA PRO A 90 -3.434 -53.455 31.015 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.422 -54.913 28.917 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.427 -53.706 29.693 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -3.754 -53.429 27.187 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.437 -53.003 27.423 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.568 -51.097 27.587 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.907 -51.082 28.717 1.00 0.00 H new ATOM 1453 N LYS A 91 -1.745 -55.173 30.393 1.00 0.00 N ATOM 1454 CA LYS A 91 -0.502 -55.922 30.244 1.00 0.00 C ATOM 1455 C LYS A 91 -0.321 -56.407 28.807 1.00 0.00 C ATOM 1456 O LYS A 91 -1.142 -57.157 28.278 1.00 0.00 O ATOM 1457 CB LYS A 91 -0.466 -57.081 31.235 1.00 0.00 C ATOM 1458 CG LYS A 91 0.933 -57.461 31.676 1.00 0.00 C ATOM 1459 CD LYS A 91 0.893 -58.474 32.805 1.00 0.00 C ATOM 1460 CE LYS A 91 2.273 -58.707 33.384 1.00 0.00 C ATOM 1461 NZ LYS A 91 3.168 -59.428 32.430 1.00 0.00 N ATOM 0 H LYS A 91 -2.357 -55.513 31.134 1.00 0.00 H new ATOM 0 HA LYS A 91 0.334 -55.258 30.466 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.055 -56.815 32.113 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.943 -57.950 30.782 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.484 -57.875 30.831 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.470 -56.570 32.001 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.222 -58.122 33.589 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.487 -59.416 32.437 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.721 -57.749 33.648 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.187 -59.283 34.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.102 -59.566 32.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.754 -60.353 32.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.272 -58.867 31.560 1.00 0.00 H new