USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 617 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 52 LYS NZ :NH3+ 132:sc= 0.148! (180deg=-0.615!) USER MOD Set 1.2: A 88 SER OG : rot 180:sc= 0.00511 USER MOD Set 2.1: A 35 HIS : no HE2:sc= -2.47 K(o=-1.9,f=-5.2!) USER MOD Set 2.2: A 79 TYR OH : rot -120:sc= 0.526 USER MOD Set 3.1: A 16 TYR OH : rot -45:sc= -0.305! USER MOD Set 3.2: A 65 ASN : amide:sc= -4.17! C(o=-4!,f=-4.4!) USER MOD Set 3.3: A 68 SER OG : rot -133:sc= 0.503 USER MOD Set 4.1: A 15 THR OG1 : rot 180:sc= -0.726 USER MOD Set 4.2: A 18 GLN : amide:sc= -6.57! C(o=-7.3!,f=-8.3!) USER MOD Set 5.1: A 9 LYS NZ :NH3+ -149:sc= -4.38! (180deg=-4.23!) USER MOD Set 5.2: A 10 MET CE :methyl 137:sc= -2.42 (180deg=-3.58!) USER MOD Single : A 2 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.21) USER MOD Single : A 5 GLN : amide:sc= -0.64 K(o=-0.64,f=-3.5!) USER MOD Single : A 8 SER OG : rot 90:sc= 0.609 USER MOD Single : A 11 LYS NZ :NH3+ -108:sc= -0.491 (180deg=-2.47!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0518 USER MOD Single : A 29 ASN : amide:sc= 0.888 K(o=0.89,f=-5.3!) USER MOD Single : A 36 ASN : amide:sc= 0.839 K(o=0.84,f=-0.015) USER MOD Single : A 37 GLN : amide:sc= 0.785 K(o=0.78,f=-0.28) USER MOD Single : A 39 GLN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00327 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.04 K(o=-2,f=-5.2!) USER MOD Single : A 46 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 49 ASN : amide:sc= -5.52! C(o=-5.5!,f=-9.8!) USER MOD Single : A 59 HIS : no HD1:sc= -0.0533 K(o=-0.053,f=-0.58) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.13 F(o=-3.1!,f=-1.1) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.81 F(o=-2.3!,f=-0.81) USER MOD Single : A 64 ASN : amide:sc= -0.736 K(o=-0.74,f=-4.1!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0357 USER MOD Single : A 72 LYS NZ :NH3+ -111:sc= 0.0971 (180deg=-2.8!) USER MOD Single : A 74 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.037) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.41 F(o=-3.6!,f=-1.4) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ASN A 2 -7.449 -0.576 9.585 1.00 0.00 N ATOM 23 CA ASN A 2 -7.604 0.693 10.392 1.00 0.00 C ATOM 24 C ASN A 2 -6.493 1.744 10.202 1.00 0.00 C ATOM 25 O ASN A 2 -5.578 1.741 10.994 1.00 0.00 O ATOM 26 CB ASN A 2 -7.690 0.292 11.892 1.00 0.00 C ATOM 27 CG ASN A 2 -7.807 1.563 12.737 1.00 0.00 C ATOM 28 OD1 ASN A 2 -8.780 2.273 12.670 1.00 0.00 O ATOM 29 ND2 ASN A 2 -6.860 1.916 13.540 1.00 0.00 N ATOM 0 HA ASN A 2 -8.508 1.182 10.030 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.551 -0.354 12.061 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -6.805 -0.274 12.183 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.950 2.770 14.091 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.022 1.341 13.624 1.00 0.00 H new ATOM 36 N CYS A 3 -6.614 2.574 9.192 1.00 0.00 N ATOM 37 CA CYS A 3 -5.626 3.668 8.837 1.00 0.00 C ATOM 38 C CYS A 3 -4.244 3.654 9.510 1.00 0.00 C ATOM 39 O CYS A 3 -3.212 3.520 8.877 1.00 0.00 O ATOM 40 CB CYS A 3 -6.339 4.980 9.125 1.00 0.00 C ATOM 41 SG CYS A 3 -7.384 5.588 7.787 1.00 0.00 S ATOM 0 H CYS A 3 -7.409 2.539 8.554 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.358 3.508 7.793 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.953 4.855 10.017 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.592 5.739 9.356 1.00 0.00 H new ATOM 46 N GLY A 4 -4.238 3.799 10.806 1.00 0.00 N ATOM 47 CA GLY A 4 -2.939 3.788 11.537 1.00 0.00 C ATOM 48 C GLY A 4 -2.217 2.492 11.217 1.00 0.00 C ATOM 49 O GLY A 4 -1.037 2.548 11.005 1.00 0.00 O ATOM 0 H GLY A 4 -5.067 3.924 11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.331 4.643 11.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.108 3.872 12.611 1.00 0.00 H new ATOM 53 N GLN A 5 -2.873 1.353 11.173 1.00 0.00 N ATOM 54 CA GLN A 5 -2.137 0.061 10.838 1.00 0.00 C ATOM 55 C GLN A 5 -1.372 0.377 9.520 1.00 0.00 C ATOM 56 O GLN A 5 -0.175 0.219 9.379 1.00 0.00 O ATOM 57 CB GLN A 5 -3.155 -1.079 10.585 1.00 0.00 C ATOM 58 CG GLN A 5 -2.707 -2.474 11.169 1.00 0.00 C ATOM 59 CD GLN A 5 -1.254 -2.841 10.830 1.00 0.00 C ATOM 60 OE1 GLN A 5 -0.329 -2.213 11.274 1.00 0.00 O ATOM 61 NE2 GLN A 5 -0.936 -3.829 10.068 1.00 0.00 N ATOM 0 H GLN A 5 -3.872 1.250 11.350 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.476 -0.260 11.643 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.113 -0.802 11.025 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.314 -1.179 9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.827 -2.461 12.252 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.369 -3.250 10.784 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.666 -4.409 9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.046 -4.032 9.879 1.00 0.00 H new ATOM 70 N VAL A 6 -2.168 0.826 8.580 1.00 0.00 N ATOM 71 CA VAL A 6 -1.669 1.215 7.226 1.00 0.00 C ATOM 72 C VAL A 6 -0.423 2.112 7.334 1.00 0.00 C ATOM 73 O VAL A 6 0.650 1.656 7.013 1.00 0.00 O ATOM 74 CB VAL A 6 -2.871 1.919 6.482 1.00 0.00 C ATOM 75 CG1 VAL A 6 -2.511 3.259 5.858 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.368 1.063 5.357 1.00 0.00 C ATOM 0 H VAL A 6 -3.174 0.942 8.701 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.346 0.345 6.654 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.621 2.072 7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.388 3.679 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.169 3.942 6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.717 3.117 5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.196 1.565 4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.561 0.895 4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.709 0.106 5.751 1.00 0.00 H new ATOM 86 N ASP A 7 -0.591 3.318 7.787 1.00 0.00 N ATOM 87 CA ASP A 7 0.547 4.249 7.920 1.00 0.00 C ATOM 88 C ASP A 7 1.661 3.647 8.786 1.00 0.00 C ATOM 89 O ASP A 7 2.787 3.614 8.351 1.00 0.00 O ATOM 90 CB ASP A 7 -0.137 5.560 8.443 1.00 0.00 C ATOM 91 CG ASP A 7 0.575 6.233 9.625 1.00 0.00 C ATOM 92 OD1 ASP A 7 0.687 5.561 10.644 1.00 0.00 O ATOM 93 OD2 ASP A 7 0.991 7.372 9.481 1.00 0.00 O ATOM 0 H ASP A 7 -1.491 3.702 8.076 1.00 0.00 H new ATOM 0 HA ASP A 7 1.094 4.462 7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.199 6.273 7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.160 5.326 8.739 1.00 0.00 H new ATOM 98 N SER A 8 1.338 3.178 9.948 1.00 0.00 N ATOM 99 CA SER A 8 2.332 2.571 10.881 1.00 0.00 C ATOM 100 C SER A 8 3.097 1.412 10.244 1.00 0.00 C ATOM 101 O SER A 8 4.202 1.120 10.657 1.00 0.00 O ATOM 102 CB SER A 8 1.579 2.113 12.126 1.00 0.00 C ATOM 103 OG SER A 8 1.035 3.325 12.654 1.00 0.00 O ATOM 0 H SER A 8 0.385 3.188 10.311 1.00 0.00 H new ATOM 0 HA SER A 8 3.085 3.316 11.139 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.796 1.396 11.880 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.243 1.627 12.840 1.00 0.00 H new ATOM 0 HG SER A 8 0.145 3.477 12.273 1.00 0.00 H new ATOM 109 N LYS A 9 2.508 0.784 9.260 1.00 0.00 N ATOM 110 CA LYS A 9 3.208 -0.352 8.595 1.00 0.00 C ATOM 111 C LYS A 9 3.920 0.181 7.334 1.00 0.00 C ATOM 112 O LYS A 9 5.091 -0.046 7.115 1.00 0.00 O ATOM 113 CB LYS A 9 2.137 -1.426 8.215 1.00 0.00 C ATOM 114 CG LYS A 9 2.768 -2.829 7.861 1.00 0.00 C ATOM 115 CD LYS A 9 4.024 -2.721 6.927 1.00 0.00 C ATOM 116 CE LYS A 9 3.756 -2.110 5.555 1.00 0.00 C ATOM 117 NZ LYS A 9 3.432 -3.219 4.627 1.00 0.00 N ATOM 0 H LYS A 9 1.583 1.006 8.892 1.00 0.00 H new ATOM 0 HA LYS A 9 3.951 -0.803 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.441 -1.546 9.045 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.559 -1.069 7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.051 -3.336 8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.014 -3.448 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.783 -2.124 7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.442 -3.718 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.930 -1.400 5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.629 -1.559 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.749 -2.973 3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.915 -4.085 4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.404 -3.378 4.622 1.00 0.00 H new ATOM 131 N MET A 10 3.194 0.892 6.521 1.00 0.00 N ATOM 132 CA MET A 10 3.682 1.486 5.238 1.00 0.00 C ATOM 133 C MET A 10 4.829 2.515 5.471 1.00 0.00 C ATOM 134 O MET A 10 5.827 2.454 4.789 1.00 0.00 O ATOM 135 CB MET A 10 2.377 2.111 4.530 1.00 0.00 C ATOM 136 CG MET A 10 1.176 1.086 4.459 1.00 0.00 C ATOM 137 SD MET A 10 0.852 0.118 2.966 1.00 0.00 S ATOM 138 CE MET A 10 1.093 -1.595 3.498 1.00 0.00 C ATOM 0 H MET A 10 2.213 1.100 6.707 1.00 0.00 H new ATOM 0 HA MET A 10 4.140 0.741 4.588 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.061 2.999 5.078 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.635 2.434 3.521 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.316 0.376 5.274 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.267 1.646 4.678 1.00 0.00 H new ATOM 0 HE1 MET A 10 0.300 -2.219 3.085 1.00 0.00 H new ATOM 0 HE2 MET A 10 2.059 -1.954 3.143 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.065 -1.645 4.586 1.00 0.00 H new ATOM 148 N LYS A 11 4.686 3.420 6.406 1.00 0.00 N ATOM 149 CA LYS A 11 5.713 4.475 6.734 1.00 0.00 C ATOM 150 C LYS A 11 7.194 4.162 6.445 1.00 0.00 C ATOM 151 O LYS A 11 7.768 4.849 5.618 1.00 0.00 O ATOM 152 CB LYS A 11 5.376 4.793 8.182 1.00 0.00 C ATOM 153 CG LYS A 11 6.057 6.027 8.800 1.00 0.00 C ATOM 154 CD LYS A 11 5.291 6.317 10.151 1.00 0.00 C ATOM 155 CE LYS A 11 3.758 6.331 9.898 1.00 0.00 C ATOM 156 NZ LYS A 11 2.988 6.833 11.071 1.00 0.00 N ATOM 0 H LYS A 11 3.853 3.477 6.991 1.00 0.00 H new ATOM 0 HA LYS A 11 5.641 5.329 6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.297 4.927 8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.632 3.924 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.115 5.838 8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.999 6.883 8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.539 5.556 10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.609 7.275 10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.542 6.956 9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.425 5.322 9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.488 6.041 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.641 7.265 11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.298 7.544 10.755 1.00 0.00 H new ATOM 170 N PRO A 12 7.797 3.166 7.061 1.00 0.00 N ATOM 171 CA PRO A 12 9.219 2.823 6.758 1.00 0.00 C ATOM 172 C PRO A 12 9.422 2.721 5.232 1.00 0.00 C ATOM 173 O PRO A 12 10.399 3.190 4.670 1.00 0.00 O ATOM 174 CB PRO A 12 9.442 1.506 7.546 1.00 0.00 C ATOM 175 CG PRO A 12 7.999 0.958 7.729 1.00 0.00 C ATOM 176 CD PRO A 12 7.209 2.228 8.065 1.00 0.00 C ATOM 0 HA PRO A 12 9.954 3.568 7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.072 0.808 6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.929 1.687 8.504 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.629 0.476 6.824 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.942 0.220 8.529 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.135 2.098 7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.369 2.560 9.091 1.00 0.00 H new ATOM 184 N CYS A 13 8.450 2.128 4.590 1.00 0.00 N ATOM 185 CA CYS A 13 8.530 1.959 3.117 1.00 0.00 C ATOM 186 C CYS A 13 8.074 3.233 2.395 1.00 0.00 C ATOM 187 O CYS A 13 8.529 3.502 1.301 1.00 0.00 O ATOM 188 CB CYS A 13 7.705 0.739 2.790 1.00 0.00 C ATOM 189 SG CYS A 13 8.277 -0.685 3.741 1.00 0.00 S ATOM 0 H CYS A 13 7.606 1.755 5.025 1.00 0.00 H new ATOM 0 HA CYS A 13 9.552 1.804 2.770 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.655 0.933 3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.772 0.522 1.724 1.00 0.00 H new ATOM 194 N LEU A 14 7.185 4.005 2.986 1.00 0.00 N ATOM 195 CA LEU A 14 6.744 5.290 2.315 1.00 0.00 C ATOM 196 C LEU A 14 8.132 5.879 2.026 1.00 0.00 C ATOM 197 O LEU A 14 8.425 6.431 0.981 1.00 0.00 O ATOM 198 CB LEU A 14 5.966 6.202 3.292 1.00 0.00 C ATOM 199 CG LEU A 14 4.747 5.467 3.813 1.00 0.00 C ATOM 200 CD1 LEU A 14 3.950 6.446 4.651 1.00 0.00 C ATOM 201 CD2 LEU A 14 3.858 4.964 2.700 1.00 0.00 C ATOM 0 H LEU A 14 6.749 3.811 3.888 1.00 0.00 H new ATOM 0 HA LEU A 14 6.077 5.169 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.609 6.495 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.662 7.118 2.786 1.00 0.00 H new ATOM 0 HG LEU A 14 5.083 4.602 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.062 5.950 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.564 6.800 5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.649 7.293 4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.000 4.445 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.512 5.807 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.420 4.277 2.068 1.00 0.00 H new ATOM 213 N THR A 15 8.986 5.701 3.020 1.00 0.00 N ATOM 214 CA THR A 15 10.355 6.202 2.837 1.00 0.00 C ATOM 215 C THR A 15 10.892 5.303 1.672 1.00 0.00 C ATOM 216 O THR A 15 11.282 5.850 0.669 1.00 0.00 O ATOM 217 CB THR A 15 11.083 6.056 4.190 1.00 0.00 C ATOM 218 OG1 THR A 15 11.456 7.394 4.493 1.00 0.00 O ATOM 219 CG2 THR A 15 12.388 5.387 4.052 1.00 0.00 C ATOM 0 H THR A 15 8.785 5.245 3.910 1.00 0.00 H new ATOM 0 HA THR A 15 10.477 7.252 2.569 1.00 0.00 H new ATOM 0 HB THR A 15 10.453 5.514 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.933 7.415 5.349 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.862 5.308 5.031 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.243 4.390 3.637 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.026 5.968 3.386 1.00 0.00 H new ATOM 227 N TYR A 16 10.937 3.997 1.764 1.00 0.00 N ATOM 228 CA TYR A 16 11.435 3.105 0.606 1.00 0.00 C ATOM 229 C TYR A 16 11.102 3.687 -0.823 1.00 0.00 C ATOM 230 O TYR A 16 11.990 3.934 -1.620 1.00 0.00 O ATOM 231 CB TYR A 16 10.783 1.712 0.823 1.00 0.00 C ATOM 232 CG TYR A 16 10.795 0.763 -0.354 1.00 0.00 C ATOM 233 CD1 TYR A 16 11.933 0.450 -1.037 1.00 0.00 C ATOM 234 CD2 TYR A 16 9.594 0.190 -0.723 1.00 0.00 C ATOM 235 CE1 TYR A 16 11.869 -0.430 -2.079 1.00 0.00 C ATOM 236 CE2 TYR A 16 9.520 -0.697 -1.767 1.00 0.00 C ATOM 237 CZ TYR A 16 10.677 -1.004 -2.449 1.00 0.00 C ATOM 238 OH TYR A 16 10.709 -1.871 -3.508 1.00 0.00 O ATOM 0 H TYR A 16 10.651 3.479 2.595 1.00 0.00 H new ATOM 0 HA TYR A 16 12.523 3.048 0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.290 1.226 1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.747 1.865 1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 16 12.877 0.894 -0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.696 0.445 -0.180 1.00 0.00 H new ATOM 0 HE1 TYR A 16 12.770 -0.679 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.578 -1.144 -2.047 1.00 0.00 H new ATOM 0 HH TYR A 16 11.248 -1.485 -4.230 1.00 0.00 H new ATOM 248 N VAL A 17 9.832 3.895 -1.078 1.00 0.00 N ATOM 249 CA VAL A 17 9.337 4.449 -2.383 1.00 0.00 C ATOM 250 C VAL A 17 9.865 5.871 -2.652 1.00 0.00 C ATOM 251 O VAL A 17 10.074 6.144 -3.821 1.00 0.00 O ATOM 252 CB VAL A 17 7.790 4.507 -2.440 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.146 3.106 -2.454 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.282 5.236 -1.261 1.00 0.00 C ATOM 0 H VAL A 17 9.088 3.696 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 17 9.714 3.765 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 17 7.524 5.014 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.061 3.205 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.493 2.555 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.428 2.567 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.193 5.277 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.593 4.720 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.684 6.249 -1.259 1.00 0.00 H new ATOM 264 N GLN A 18 10.055 6.724 -1.654 1.00 0.00 N ATOM 265 CA GLN A 18 10.582 8.085 -2.008 1.00 0.00 C ATOM 266 C GLN A 18 12.110 7.870 -2.209 1.00 0.00 C ATOM 267 O GLN A 18 12.732 8.497 -3.038 1.00 0.00 O ATOM 268 CB GLN A 18 10.483 9.138 -0.877 1.00 0.00 C ATOM 269 CG GLN A 18 9.928 8.678 0.438 1.00 0.00 C ATOM 270 CD GLN A 18 10.460 9.545 1.593 1.00 0.00 C ATOM 271 OE1 GLN A 18 10.061 10.679 1.778 1.00 0.00 O ATOM 272 NE2 GLN A 18 11.361 9.053 2.391 1.00 0.00 N ATOM 0 H GLN A 18 9.878 6.546 -0.665 1.00 0.00 H new ATOM 0 HA GLN A 18 10.007 8.455 -2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.481 9.540 -0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.866 9.962 -1.235 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.839 8.725 0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.198 7.636 0.606 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.705 8.103 2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.724 9.617 3.160 1.00 0.00 H new ATOM 281 N GLY A 19 12.663 6.979 -1.423 1.00 0.00 N ATOM 282 CA GLY A 19 14.135 6.636 -1.467 1.00 0.00 C ATOM 283 C GLY A 19 14.665 6.093 -0.123 1.00 0.00 C ATOM 284 O GLY A 19 15.507 6.685 0.525 1.00 0.00 O ATOM 0 H GLY A 19 12.140 6.451 -0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.307 5.894 -2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.702 7.525 -1.743 1.00 0.00 H new ATOM 288 N GLY A 20 14.148 4.944 0.244 1.00 0.00 N ATOM 289 CA GLY A 20 14.554 4.273 1.539 1.00 0.00 C ATOM 290 C GLY A 20 15.404 3.012 1.371 1.00 0.00 C ATOM 291 O GLY A 20 15.528 2.502 0.276 1.00 0.00 O ATOM 0 H GLY A 20 13.454 4.431 -0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.109 4.990 2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.653 4.015 2.096 1.00 0.00 H new ATOM 295 N PRO A 21 15.948 2.517 2.466 1.00 0.00 N ATOM 296 CA PRO A 21 16.849 1.321 2.494 1.00 0.00 C ATOM 297 C PRO A 21 15.907 0.109 2.658 1.00 0.00 C ATOM 298 O PRO A 21 16.045 -0.733 3.525 1.00 0.00 O ATOM 299 CB PRO A 21 17.737 1.631 3.683 1.00 0.00 C ATOM 300 CG PRO A 21 16.678 2.158 4.700 1.00 0.00 C ATOM 301 CD PRO A 21 15.759 3.069 3.841 1.00 0.00 C ATOM 0 HA PRO A 21 17.472 1.104 1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 21 18.261 0.749 4.050 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.496 2.378 3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.118 1.340 5.154 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.146 2.714 5.512 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.719 3.013 4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.055 4.116 3.902 1.00 0.00 H new ATOM 309 N GLY A 22 14.974 0.113 1.753 1.00 0.00 N ATOM 310 CA GLY A 22 13.900 -0.917 1.655 1.00 0.00 C ATOM 311 C GLY A 22 14.048 -1.779 0.382 1.00 0.00 C ATOM 312 O GLY A 22 15.002 -1.599 -0.344 1.00 0.00 O ATOM 0 H GLY A 22 14.908 0.833 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.931 -1.560 2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.926 -0.428 1.652 1.00 0.00 H new ATOM 316 N PRO A 23 13.147 -2.690 0.121 1.00 0.00 N ATOM 317 CA PRO A 23 12.073 -3.189 1.017 1.00 0.00 C ATOM 318 C PRO A 23 12.415 -4.602 1.545 1.00 0.00 C ATOM 319 O PRO A 23 11.918 -5.571 0.991 1.00 0.00 O ATOM 320 CB PRO A 23 10.912 -3.122 0.098 1.00 0.00 C ATOM 321 CG PRO A 23 11.548 -3.784 -1.211 1.00 0.00 C ATOM 322 CD PRO A 23 13.049 -3.359 -1.203 1.00 0.00 C ATOM 0 HA PRO A 23 11.905 -2.633 1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.054 -3.680 0.471 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.577 -2.099 -0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.447 -4.869 -1.191 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.045 -3.433 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.720 -4.214 -1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.291 -2.685 -2.025 1.00 0.00 H new ATOM 330 N SER A 24 13.229 -4.657 2.572 1.00 0.00 N ATOM 331 CA SER A 24 13.688 -5.931 3.230 1.00 0.00 C ATOM 332 C SER A 24 12.858 -7.176 2.881 1.00 0.00 C ATOM 333 O SER A 24 13.404 -8.197 2.517 1.00 0.00 O ATOM 334 CB SER A 24 13.684 -5.663 4.748 1.00 0.00 C ATOM 335 OG SER A 24 14.554 -4.534 4.849 1.00 0.00 O ATOM 0 H SER A 24 13.618 -3.821 3.008 1.00 0.00 H new ATOM 0 HA SER A 24 14.681 -6.177 2.854 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.684 -5.443 5.121 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.055 -6.517 5.315 1.00 0.00 H new ATOM 0 HG SER A 24 14.631 -4.264 5.788 1.00 0.00 H new ATOM 341 N GLY A 25 11.563 -7.072 2.994 1.00 0.00 N ATOM 342 CA GLY A 25 10.650 -8.225 2.674 1.00 0.00 C ATOM 343 C GLY A 25 9.273 -7.952 3.255 1.00 0.00 C ATOM 344 O GLY A 25 8.291 -7.867 2.542 1.00 0.00 O ATOM 0 H GLY A 25 11.083 -6.225 3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.581 -8.361 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.055 -9.149 3.086 1.00 0.00 H new ATOM 348 N GLU A 26 9.309 -7.820 4.551 1.00 0.00 N ATOM 349 CA GLU A 26 8.142 -7.545 5.438 1.00 0.00 C ATOM 350 C GLU A 26 7.017 -6.666 4.881 1.00 0.00 C ATOM 351 O GLU A 26 5.867 -7.064 4.867 1.00 0.00 O ATOM 352 CB GLU A 26 8.733 -6.942 6.777 1.00 0.00 C ATOM 353 CG GLU A 26 10.002 -5.984 6.618 1.00 0.00 C ATOM 354 CD GLU A 26 9.778 -4.859 5.622 1.00 0.00 C ATOM 355 OE1 GLU A 26 9.165 -3.886 6.021 1.00 0.00 O ATOM 356 OE2 GLU A 26 10.222 -5.062 4.497 1.00 0.00 O ATOM 0 H GLU A 26 10.182 -7.900 5.073 1.00 0.00 H new ATOM 0 HA GLU A 26 7.623 -8.493 5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.943 -6.384 7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.007 -7.768 7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.251 -5.557 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.860 -6.577 6.301 1.00 0.00 H new ATOM 363 N CYS A 27 7.353 -5.496 4.429 1.00 0.00 N ATOM 364 CA CYS A 27 6.351 -4.569 3.886 1.00 0.00 C ATOM 365 C CYS A 27 5.366 -5.202 2.932 1.00 0.00 C ATOM 366 O CYS A 27 4.190 -4.986 3.130 1.00 0.00 O ATOM 367 CB CYS A 27 7.078 -3.411 3.214 1.00 0.00 C ATOM 368 SG CYS A 27 6.641 -1.834 3.976 1.00 0.00 S ATOM 0 H CYS A 27 8.309 -5.141 4.416 1.00 0.00 H new ATOM 0 HA CYS A 27 5.746 -4.223 4.724 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.155 -3.565 3.283 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.827 -3.387 2.154 1.00 0.00 H new ATOM 373 N CYS A 28 5.812 -5.949 1.960 1.00 0.00 N ATOM 374 CA CYS A 28 4.796 -6.552 1.035 1.00 0.00 C ATOM 375 C CYS A 28 3.939 -7.541 1.819 1.00 0.00 C ATOM 376 O CYS A 28 2.744 -7.644 1.635 1.00 0.00 O ATOM 377 CB CYS A 28 5.538 -7.225 -0.113 1.00 0.00 C ATOM 378 SG CYS A 28 6.563 -8.666 0.231 1.00 0.00 S ATOM 0 H CYS A 28 6.790 -6.165 1.766 1.00 0.00 H new ATOM 0 HA CYS A 28 4.132 -5.794 0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.796 -7.519 -0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.175 -6.473 -0.579 1.00 0.00 H new ATOM 383 N ASN A 29 4.570 -8.265 2.698 1.00 0.00 N ATOM 384 CA ASN A 29 3.803 -9.258 3.526 1.00 0.00 C ATOM 385 C ASN A 29 2.671 -8.485 4.219 1.00 0.00 C ATOM 386 O ASN A 29 1.501 -8.824 4.182 1.00 0.00 O ATOM 387 CB ASN A 29 4.792 -9.878 4.525 1.00 0.00 C ATOM 388 CG ASN A 29 4.911 -11.332 4.165 1.00 0.00 C ATOM 389 OD1 ASN A 29 3.953 -12.058 4.026 1.00 0.00 O ATOM 390 ND2 ASN A 29 6.088 -11.820 3.990 1.00 0.00 N ATOM 0 H ASN A 29 5.572 -8.220 2.884 1.00 0.00 H new ATOM 0 HA ASN A 29 3.361 -10.065 2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.762 -9.384 4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.435 -9.760 5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.201 -12.802 3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.909 -11.225 4.102 1.00 0.00 H new ATOM 397 N GLY A 30 3.108 -7.424 4.845 1.00 0.00 N ATOM 398 CA GLY A 30 2.180 -6.508 5.574 1.00 0.00 C ATOM 399 C GLY A 30 1.094 -6.138 4.560 1.00 0.00 C ATOM 400 O GLY A 30 -0.071 -6.179 4.882 1.00 0.00 O ATOM 0 H GLY A 30 4.089 -7.148 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.751 -6.998 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.703 -5.621 5.931 1.00 0.00 H new ATOM 404 N VAL A 31 1.487 -5.776 3.363 1.00 0.00 N ATOM 405 CA VAL A 31 0.451 -5.418 2.335 1.00 0.00 C ATOM 406 C VAL A 31 -0.548 -6.589 2.228 1.00 0.00 C ATOM 407 O VAL A 31 -1.736 -6.368 2.343 1.00 0.00 O ATOM 408 CB VAL A 31 1.072 -5.197 0.938 1.00 0.00 C ATOM 409 CG1 VAL A 31 -0.019 -4.614 0.073 1.00 0.00 C ATOM 410 CG2 VAL A 31 2.137 -4.133 0.957 1.00 0.00 C ATOM 0 H VAL A 31 2.457 -5.712 3.054 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.030 -4.492 2.649 1.00 0.00 H new ATOM 0 HB VAL A 31 1.488 -6.144 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.368 -4.437 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.855 -5.312 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.359 -3.671 0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.547 -4.010 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.703 -3.190 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.933 -4.427 1.641 1.00 0.00 H new ATOM 420 N ARG A 32 -0.074 -7.792 1.996 1.00 0.00 N ATOM 421 CA ARG A 32 -1.026 -8.963 1.900 1.00 0.00 C ATOM 422 C ARG A 32 -1.943 -8.925 3.147 1.00 0.00 C ATOM 423 O ARG A 32 -3.152 -8.960 3.023 1.00 0.00 O ATOM 424 CB ARG A 32 -0.259 -10.284 1.886 1.00 0.00 C ATOM 425 CG ARG A 32 0.547 -10.409 0.565 1.00 0.00 C ATOM 426 CD ARG A 32 0.959 -11.873 0.293 1.00 0.00 C ATOM 427 NE ARG A 32 2.175 -12.200 1.134 1.00 0.00 N ATOM 428 CZ ARG A 32 2.996 -13.171 0.911 1.00 0.00 C ATOM 429 NH1 ARG A 32 3.135 -13.667 -0.244 1.00 0.00 N ATOM 430 NH2 ARG A 32 3.670 -13.622 1.887 1.00 0.00 N ATOM 0 H ARG A 32 0.913 -8.018 1.870 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.604 -8.892 0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.416 -10.333 2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.953 -11.119 1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.053 -10.038 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.438 -9.783 0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.138 -12.548 0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.183 -12.012 -0.765 1.00 0.00 H new ATOM 0 HE ARG A 32 2.360 -11.605 1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.592 -13.300 -1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.790 -14.434 -0.394 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.555 -13.218 2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.327 -14.389 1.742 1.00 0.00 H new ATOM 444 N ASP A 33 -1.338 -8.874 4.307 1.00 0.00 N ATOM 445 CA ASP A 33 -2.152 -8.812 5.576 1.00 0.00 C ATOM 446 C ASP A 33 -3.277 -7.769 5.387 1.00 0.00 C ATOM 447 O ASP A 33 -4.438 -8.096 5.522 1.00 0.00 O ATOM 448 CB ASP A 33 -1.168 -8.453 6.725 1.00 0.00 C ATOM 449 CG ASP A 33 -1.181 -9.542 7.809 1.00 0.00 C ATOM 450 OD1 ASP A 33 -2.042 -9.349 8.660 1.00 0.00 O ATOM 451 OD2 ASP A 33 -0.369 -10.449 7.715 1.00 0.00 O ATOM 0 H ASP A 33 -0.326 -8.872 4.438 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.638 -9.757 5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.160 -8.342 6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.446 -7.494 7.162 1.00 0.00 H new ATOM 456 N LEU A 34 -2.951 -6.539 5.066 1.00 0.00 N ATOM 457 CA LEU A 34 -4.073 -5.547 4.878 1.00 0.00 C ATOM 458 C LEU A 34 -5.009 -6.056 3.744 1.00 0.00 C ATOM 459 O LEU A 34 -6.203 -5.872 3.840 1.00 0.00 O ATOM 460 CB LEU A 34 -3.607 -4.148 4.415 1.00 0.00 C ATOM 461 CG LEU A 34 -2.741 -3.287 5.390 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.451 -3.952 5.807 1.00 0.00 C ATOM 463 CD2 LEU A 34 -2.321 -2.014 4.630 1.00 0.00 C ATOM 0 H LEU A 34 -2.004 -6.184 4.930 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.552 -5.462 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.039 -4.277 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.496 -3.570 4.163 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.347 -3.112 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.905 -3.294 6.483 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.673 -4.891 6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.843 -4.152 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.713 -1.386 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.742 -2.291 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.210 -1.464 4.322 1.00 0.00 H new ATOM 475 N HIS A 35 -4.436 -6.680 2.741 1.00 0.00 N ATOM 476 CA HIS A 35 -5.268 -7.193 1.594 1.00 0.00 C ATOM 477 C HIS A 35 -6.240 -8.315 2.024 1.00 0.00 C ATOM 478 O HIS A 35 -7.227 -8.567 1.358 1.00 0.00 O ATOM 479 CB HIS A 35 -4.274 -7.657 0.535 1.00 0.00 C ATOM 480 CG HIS A 35 -4.896 -7.772 -0.846 1.00 0.00 C ATOM 481 ND1 HIS A 35 -5.810 -8.613 -1.190 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.628 -7.057 -1.988 1.00 0.00 C ATOM 483 CE1 HIS A 35 -6.101 -8.454 -2.443 1.00 0.00 C ATOM 484 NE2 HIS A 35 -5.385 -7.496 -2.979 1.00 0.00 N ATOM 0 H HIS A 35 -3.435 -6.858 2.663 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.920 -6.411 1.203 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.439 -6.957 0.495 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.865 -8.625 0.826 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.239 -9.300 -0.570 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.907 -6.256 -2.065 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.838 -9.036 -2.976 1.00 0.00 H new ATOM 492 N ASN A 36 -5.892 -8.949 3.107 1.00 0.00 N ATOM 493 CA ASN A 36 -6.683 -10.068 3.732 1.00 0.00 C ATOM 494 C ASN A 36 -7.560 -9.553 4.905 1.00 0.00 C ATOM 495 O ASN A 36 -8.617 -10.085 5.175 1.00 0.00 O ATOM 496 CB ASN A 36 -5.662 -11.125 4.184 1.00 0.00 C ATOM 497 CG ASN A 36 -5.211 -11.834 2.922 1.00 0.00 C ATOM 498 OD1 ASN A 36 -5.578 -12.949 2.647 1.00 0.00 O ATOM 499 ND2 ASN A 36 -4.417 -11.250 2.091 1.00 0.00 N ATOM 0 H ASN A 36 -5.039 -8.728 3.621 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.384 -10.503 3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.818 -10.660 4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.111 -11.827 4.887 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.124 -11.732 1.241 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.082 -10.306 2.284 1.00 0.00 H new ATOM 506 N GLN A 37 -7.083 -8.518 5.541 1.00 0.00 N ATOM 507 CA GLN A 37 -7.790 -7.876 6.698 1.00 0.00 C ATOM 508 C GLN A 37 -8.934 -7.015 6.084 1.00 0.00 C ATOM 509 O GLN A 37 -10.052 -7.030 6.569 1.00 0.00 O ATOM 510 CB GLN A 37 -6.774 -6.953 7.484 1.00 0.00 C ATOM 511 CG GLN A 37 -5.660 -7.667 8.367 1.00 0.00 C ATOM 512 CD GLN A 37 -4.745 -6.647 9.113 1.00 0.00 C ATOM 513 OE1 GLN A 37 -5.113 -5.525 9.427 1.00 0.00 O ATOM 514 NE2 GLN A 37 -3.529 -6.975 9.437 1.00 0.00 N ATOM 0 H GLN A 37 -6.198 -8.071 5.300 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.186 -8.615 7.395 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.269 -6.315 6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.351 -6.298 8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.141 -8.319 9.096 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.046 -8.302 7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.170 -7.900 9.199 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.935 -6.308 9.929 1.00 0.00 H new ATOM 523 N ALA A 38 -8.632 -6.293 5.035 1.00 0.00 N ATOM 524 CA ALA A 38 -9.700 -5.453 4.401 1.00 0.00 C ATOM 525 C ALA A 38 -10.551 -6.416 3.528 1.00 0.00 C ATOM 526 O ALA A 38 -10.010 -7.226 2.797 1.00 0.00 O ATOM 527 CB ALA A 38 -8.987 -4.373 3.568 1.00 0.00 C ATOM 0 H ALA A 38 -7.713 -6.246 4.595 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.357 -4.953 5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.729 -3.736 3.087 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.357 -3.768 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.369 -4.849 2.807 1.00 0.00 H new ATOM 533 N GLN A 39 -11.852 -6.304 3.598 1.00 0.00 N ATOM 534 CA GLN A 39 -12.747 -7.209 2.800 1.00 0.00 C ATOM 535 C GLN A 39 -13.468 -6.517 1.635 1.00 0.00 C ATOM 536 O GLN A 39 -13.433 -6.993 0.512 1.00 0.00 O ATOM 537 CB GLN A 39 -13.720 -7.822 3.836 1.00 0.00 C ATOM 538 CG GLN A 39 -12.852 -8.740 4.787 1.00 0.00 C ATOM 539 CD GLN A 39 -13.356 -8.729 6.216 1.00 0.00 C ATOM 540 OE1 GLN A 39 -14.381 -9.273 6.557 1.00 0.00 O ATOM 541 NE2 GLN A 39 -12.661 -8.113 7.115 1.00 0.00 N ATOM 0 H GLN A 39 -12.341 -5.621 4.177 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.163 -7.973 2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -14.222 -7.040 4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.497 -8.404 3.340 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.861 -9.762 4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.816 -8.402 4.767 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.792 -7.645 6.856 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.981 -8.095 8.083 1.00 0.00 H new ATOM 550 N SER A 40 -14.115 -5.414 1.878 1.00 0.00 N ATOM 551 CA SER A 40 -14.836 -4.706 0.755 1.00 0.00 C ATOM 552 C SER A 40 -14.617 -3.175 0.681 1.00 0.00 C ATOM 553 O SER A 40 -13.915 -2.587 1.481 1.00 0.00 O ATOM 554 CB SER A 40 -16.334 -5.083 0.905 1.00 0.00 C ATOM 555 OG SER A 40 -16.345 -6.463 0.526 1.00 0.00 O ATOM 0 H SER A 40 -14.183 -4.966 2.792 1.00 0.00 H new ATOM 0 HA SER A 40 -14.420 -5.039 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.688 -4.940 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.971 -4.479 0.259 1.00 0.00 H new ATOM 0 HG SER A 40 -17.259 -6.812 0.587 1.00 0.00 H new ATOM 561 N SER A 41 -15.241 -2.573 -0.303 1.00 0.00 N ATOM 562 CA SER A 41 -15.182 -1.076 -0.599 1.00 0.00 C ATOM 563 C SER A 41 -15.862 -0.128 0.426 1.00 0.00 C ATOM 564 O SER A 41 -16.730 0.679 0.139 1.00 0.00 O ATOM 565 CB SER A 41 -15.802 -0.888 -1.989 1.00 0.00 C ATOM 566 OG SER A 41 -15.024 -1.803 -2.757 1.00 0.00 O ATOM 0 H SER A 41 -15.830 -3.081 -0.962 1.00 0.00 H new ATOM 0 HA SER A 41 -14.134 -0.782 -0.537 1.00 0.00 H new ATOM 0 HB2 SER A 41 -16.864 -1.135 -2.004 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.708 0.137 -2.348 1.00 0.00 H new ATOM 0 HG SER A 41 -15.324 -1.785 -3.690 1.00 0.00 H new ATOM 572 N GLY A 42 -15.376 -0.347 1.613 1.00 0.00 N ATOM 573 CA GLY A 42 -15.734 0.337 2.892 1.00 0.00 C ATOM 574 C GLY A 42 -14.429 0.392 3.696 1.00 0.00 C ATOM 575 O GLY A 42 -14.031 1.421 4.202 1.00 0.00 O ATOM 0 H GLY A 42 -14.660 -1.059 1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -16.126 1.337 2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.506 -0.213 3.430 1.00 0.00 H new ATOM 579 N ASP A 43 -13.768 -0.737 3.780 1.00 0.00 N ATOM 580 CA ASP A 43 -12.492 -0.818 4.526 1.00 0.00 C ATOM 581 C ASP A 43 -11.362 -0.615 3.493 1.00 0.00 C ATOM 582 O ASP A 43 -10.454 0.156 3.733 1.00 0.00 O ATOM 583 CB ASP A 43 -12.477 -2.215 5.234 1.00 0.00 C ATOM 584 CG ASP A 43 -12.738 -3.386 4.294 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.922 -3.592 3.431 1.00 0.00 O ATOM 586 OD2 ASP A 43 -13.732 -4.065 4.443 1.00 0.00 O ATOM 0 H ASP A 43 -14.070 -1.613 3.354 1.00 0.00 H new ATOM 0 HA ASP A 43 -12.362 -0.061 5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.510 -2.357 5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -13.229 -2.220 6.023 1.00 0.00 H new ATOM 591 N ARG A 44 -11.450 -1.282 2.371 1.00 0.00 N ATOM 592 CA ARG A 44 -10.417 -1.163 1.296 1.00 0.00 C ATOM 593 C ARG A 44 -10.350 0.375 1.026 1.00 0.00 C ATOM 594 O ARG A 44 -9.310 0.986 1.133 1.00 0.00 O ATOM 595 CB ARG A 44 -10.951 -2.017 0.112 1.00 0.00 C ATOM 596 CG ARG A 44 -10.045 -3.224 -0.265 1.00 0.00 C ATOM 597 CD ARG A 44 -10.958 -4.479 -0.234 1.00 0.00 C ATOM 598 NE ARG A 44 -10.238 -5.614 -0.906 1.00 0.00 N ATOM 599 CZ ARG A 44 -9.867 -6.637 -0.244 1.00 0.00 C ATOM 600 NH1 ARG A 44 -10.731 -7.302 0.385 1.00 0.00 N ATOM 601 NH2 ARG A 44 -8.641 -6.919 -0.258 1.00 0.00 N ATOM 0 H ARG A 44 -12.214 -1.920 2.149 1.00 0.00 H new ATOM 0 HA ARG A 44 -9.412 -1.523 1.515 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.944 -2.388 0.366 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.064 -1.375 -0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.606 -3.087 -1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.220 -3.326 0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.203 -4.743 0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.900 -4.274 -0.743 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.044 -5.565 -1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.711 -7.019 0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.452 -8.124 0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.990 -6.337 -0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.298 -7.729 0.258 1.00 0.00 H new ATOM 615 N GLN A 45 -11.469 0.982 0.702 1.00 0.00 N ATOM 616 CA GLN A 45 -11.458 2.455 0.441 1.00 0.00 C ATOM 617 C GLN A 45 -11.028 3.276 1.677 1.00 0.00 C ATOM 618 O GLN A 45 -10.753 4.453 1.555 1.00 0.00 O ATOM 619 CB GLN A 45 -12.873 2.890 -0.040 1.00 0.00 C ATOM 620 CG GLN A 45 -12.800 3.130 -1.593 1.00 0.00 C ATOM 621 CD GLN A 45 -11.845 4.280 -1.954 1.00 0.00 C ATOM 622 OE1 GLN A 45 -11.533 4.512 -3.098 1.00 0.00 O ATOM 623 NE2 GLN A 45 -11.328 5.061 -1.063 1.00 0.00 N ATOM 0 H GLN A 45 -12.377 0.527 0.608 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.717 2.657 -0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -13.609 2.121 0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -13.188 3.799 0.473 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.469 2.216 -2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.797 3.354 -1.972 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.547 4.924 -0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.701 5.814 -1.347 1.00 0.00 H new ATOM 632 N THR A 46 -10.962 2.654 2.823 1.00 0.00 N ATOM 633 CA THR A 46 -10.543 3.391 4.066 1.00 0.00 C ATOM 634 C THR A 46 -9.008 3.332 4.068 1.00 0.00 C ATOM 635 O THR A 46 -8.303 4.325 4.038 1.00 0.00 O ATOM 636 CB THR A 46 -11.114 2.690 5.320 1.00 0.00 C ATOM 637 OG1 THR A 46 -12.415 3.233 5.498 1.00 0.00 O ATOM 638 CG2 THR A 46 -10.368 3.135 6.563 1.00 0.00 C ATOM 0 H THR A 46 -11.179 1.667 2.959 1.00 0.00 H new ATOM 0 HA THR A 46 -10.910 4.417 4.080 1.00 0.00 H new ATOM 0 HB THR A 46 -11.062 1.609 5.192 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.072 2.661 5.050 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.783 2.632 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.313 2.880 6.465 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.471 4.213 6.683 1.00 0.00 H new ATOM 646 N VAL A 47 -8.545 2.108 4.096 1.00 0.00 N ATOM 647 CA VAL A 47 -7.093 1.762 4.089 1.00 0.00 C ATOM 648 C VAL A 47 -6.552 2.675 2.964 1.00 0.00 C ATOM 649 O VAL A 47 -5.535 3.317 3.106 1.00 0.00 O ATOM 650 CB VAL A 47 -7.044 0.259 3.782 1.00 0.00 C ATOM 651 CG1 VAL A 47 -5.628 -0.219 3.808 1.00 0.00 C ATOM 652 CG2 VAL A 47 -7.737 -0.553 4.903 1.00 0.00 C ATOM 0 H VAL A 47 -9.153 1.290 4.125 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.511 1.917 4.998 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.525 0.120 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.600 -1.286 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.048 0.320 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.201 -0.040 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.690 -1.616 4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.230 -0.371 5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.779 -0.245 4.984 1.00 0.00 H new ATOM 662 N CYS A 48 -7.317 2.662 1.901 1.00 0.00 N ATOM 663 CA CYS A 48 -7.014 3.478 0.691 1.00 0.00 C ATOM 664 C CYS A 48 -6.940 4.959 1.079 1.00 0.00 C ATOM 665 O CYS A 48 -5.869 5.488 0.892 1.00 0.00 O ATOM 666 CB CYS A 48 -8.110 3.324 -0.359 1.00 0.00 C ATOM 667 SG CYS A 48 -7.888 4.134 -1.964 1.00 0.00 S ATOM 0 H CYS A 48 -8.165 2.101 1.823 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.065 3.133 0.282 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.247 2.258 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.039 3.695 0.074 1.00 0.00 H new ATOM 672 N ASN A 49 -7.975 5.618 1.585 1.00 0.00 N ATOM 673 CA ASN A 49 -7.783 7.052 1.921 1.00 0.00 C ATOM 674 C ASN A 49 -6.466 7.347 2.640 1.00 0.00 C ATOM 675 O ASN A 49 -5.706 8.186 2.195 1.00 0.00 O ATOM 676 CB ASN A 49 -8.968 7.529 2.776 1.00 0.00 C ATOM 677 CG ASN A 49 -9.274 6.892 4.116 1.00 0.00 C ATOM 678 OD1 ASN A 49 -8.466 6.798 5.009 1.00 0.00 O ATOM 679 ND2 ASN A 49 -10.462 6.451 4.328 1.00 0.00 N ATOM 0 H ASN A 49 -8.901 5.231 1.768 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.737 7.597 0.978 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.823 8.594 2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.864 7.428 2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.699 6.037 5.229 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.168 6.515 3.595 1.00 0.00 H new ATOM 686 N CYS A 50 -6.237 6.639 3.707 1.00 0.00 N ATOM 687 CA CYS A 50 -4.973 6.872 4.460 1.00 0.00 C ATOM 688 C CYS A 50 -3.729 6.478 3.647 1.00 0.00 C ATOM 689 O CYS A 50 -2.881 7.320 3.448 1.00 0.00 O ATOM 690 CB CYS A 50 -5.103 6.092 5.758 1.00 0.00 C ATOM 691 SG CYS A 50 -6.086 6.931 7.027 1.00 0.00 S ATOM 0 H CYS A 50 -6.855 5.922 4.087 1.00 0.00 H new ATOM 0 HA CYS A 50 -4.830 7.933 4.667 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.555 5.124 5.544 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.106 5.898 6.154 1.00 0.00 H new ATOM 696 N LEU A 51 -3.595 5.264 3.179 1.00 0.00 N ATOM 697 CA LEU A 51 -2.372 4.893 2.378 1.00 0.00 C ATOM 698 C LEU A 51 -2.204 5.890 1.176 1.00 0.00 C ATOM 699 O LEU A 51 -1.140 6.426 0.937 1.00 0.00 O ATOM 700 CB LEU A 51 -2.578 3.419 1.916 1.00 0.00 C ATOM 701 CG LEU A 51 -1.663 2.921 0.785 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.440 2.298 1.409 1.00 0.00 C ATOM 703 CD2 LEU A 51 -2.453 1.854 -0.101 1.00 0.00 C ATOM 0 H LEU A 51 -4.271 4.512 3.312 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.454 4.965 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.439 2.768 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.613 3.304 1.594 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.360 3.745 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.225 1.937 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.080 3.043 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.740 1.464 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.807 1.499 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.752 1.012 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.340 2.321 -0.529 1.00 0.00 H new ATOM 715 N LYS A 52 -3.277 6.115 0.446 1.00 0.00 N ATOM 716 CA LYS A 52 -3.271 7.062 -0.742 1.00 0.00 C ATOM 717 C LYS A 52 -2.749 8.400 -0.156 1.00 0.00 C ATOM 718 O LYS A 52 -1.821 9.000 -0.668 1.00 0.00 O ATOM 719 CB LYS A 52 -4.772 7.135 -1.306 1.00 0.00 C ATOM 720 CG LYS A 52 -4.937 7.952 -2.654 1.00 0.00 C ATOM 721 CD LYS A 52 -5.673 7.114 -3.815 1.00 0.00 C ATOM 722 CE LYS A 52 -7.143 6.693 -3.537 1.00 0.00 C ATOM 723 NZ LYS A 52 -7.598 5.721 -4.608 1.00 0.00 N ATOM 0 H LYS A 52 -4.180 5.675 0.622 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.644 6.766 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.135 6.120 -1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.410 7.585 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.505 8.860 -2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.953 8.263 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.655 7.708 -4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.090 6.213 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.221 6.230 -2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.789 7.571 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.054 4.900 -4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.276 6.193 -5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.776 5.402 -5.159 1.00 0.00 H new ATOM 737 N GLY A 53 -3.353 8.842 0.920 1.00 0.00 N ATOM 738 CA GLY A 53 -2.925 10.122 1.588 1.00 0.00 C ATOM 739 C GLY A 53 -1.412 10.120 1.884 1.00 0.00 C ATOM 740 O GLY A 53 -0.710 11.000 1.429 1.00 0.00 O ATOM 0 H GLY A 53 -4.134 8.368 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.171 10.969 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.479 10.253 2.517 1.00 0.00 H new ATOM 744 N ILE A 54 -0.936 9.143 2.617 1.00 0.00 N ATOM 745 CA ILE A 54 0.540 9.116 2.924 1.00 0.00 C ATOM 746 C ILE A 54 1.297 9.081 1.591 1.00 0.00 C ATOM 747 O ILE A 54 2.264 9.794 1.492 1.00 0.00 O ATOM 748 CB ILE A 54 1.019 7.848 3.781 1.00 0.00 C ATOM 749 CG1 ILE A 54 -0.145 6.936 4.067 1.00 0.00 C ATOM 750 CG2 ILE A 54 1.519 8.429 5.142 1.00 0.00 C ATOM 751 CD1 ILE A 54 0.210 5.642 4.795 1.00 0.00 C ATOM 0 H ILE A 54 -1.484 8.378 3.010 1.00 0.00 H new ATOM 0 HA ILE A 54 0.748 10.002 3.524 1.00 0.00 H new ATOM 0 HB ILE A 54 1.782 7.282 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.876 7.482 4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.629 6.683 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.863 7.615 5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.341 9.121 4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.702 8.956 5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.694 5.054 4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.915 5.068 4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.663 5.879 5.758 1.00 0.00 H new ATOM 763 N ALA A 55 0.884 8.296 0.615 1.00 0.00 N ATOM 764 CA ALA A 55 1.569 8.220 -0.709 1.00 0.00 C ATOM 765 C ALA A 55 1.750 9.649 -1.220 1.00 0.00 C ATOM 766 O ALA A 55 2.789 10.012 -1.736 1.00 0.00 O ATOM 767 CB ALA A 55 0.683 7.362 -1.614 1.00 0.00 C ATOM 0 H ALA A 55 0.070 7.686 0.693 1.00 0.00 H new ATOM 0 HA ALA A 55 2.558 7.763 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.143 7.276 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.571 6.369 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.297 7.828 -1.711 1.00 0.00 H new ATOM 773 N ARG A 56 0.706 10.410 -1.063 1.00 0.00 N ATOM 774 CA ARG A 56 0.740 11.838 -1.502 1.00 0.00 C ATOM 775 C ARG A 56 1.549 12.675 -0.486 1.00 0.00 C ATOM 776 O ARG A 56 2.031 13.746 -0.793 1.00 0.00 O ATOM 777 CB ARG A 56 -0.715 12.350 -1.599 1.00 0.00 C ATOM 778 CG ARG A 56 -1.528 11.418 -2.529 1.00 0.00 C ATOM 779 CD ARG A 56 -2.460 12.284 -3.404 1.00 0.00 C ATOM 780 NE ARG A 56 -3.424 11.400 -4.170 1.00 0.00 N ATOM 781 CZ ARG A 56 -4.689 11.634 -4.248 1.00 0.00 C ATOM 782 NH1 ARG A 56 -5.176 12.785 -4.017 1.00 0.00 N ATOM 783 NH2 ARG A 56 -5.406 10.646 -4.575 1.00 0.00 N ATOM 0 H ARG A 56 -0.175 10.107 -0.648 1.00 0.00 H new ATOM 0 HA ARG A 56 1.223 11.928 -2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.169 12.379 -0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.728 13.369 -1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.857 10.832 -3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.112 10.711 -1.939 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.014 12.983 -2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.869 12.880 -4.100 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.053 10.579 -4.648 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.561 13.557 -3.761 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.182 12.937 -4.088 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.974 9.740 -4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.417 10.754 -4.657 1.00 0.00 H new ATOM 797 N GLY A 57 1.667 12.152 0.702 1.00 0.00 N ATOM 798 CA GLY A 57 2.419 12.851 1.789 1.00 0.00 C ATOM 799 C GLY A 57 3.851 12.377 2.030 1.00 0.00 C ATOM 800 O GLY A 57 4.295 12.365 3.160 1.00 0.00 O ATOM 0 H GLY A 57 1.268 11.253 0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.445 13.916 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.860 12.740 2.718 1.00 0.00 H new ATOM 804 N ILE A 58 4.556 11.993 0.999 1.00 0.00 N ATOM 805 CA ILE A 58 5.978 11.540 1.199 1.00 0.00 C ATOM 806 C ILE A 58 6.786 12.482 0.280 1.00 0.00 C ATOM 807 O ILE A 58 6.211 13.167 -0.545 1.00 0.00 O ATOM 808 CB ILE A 58 6.186 10.017 0.784 1.00 0.00 C ATOM 809 CG1 ILE A 58 4.856 9.283 0.941 1.00 0.00 C ATOM 810 CG2 ILE A 58 7.059 9.428 1.926 1.00 0.00 C ATOM 811 CD1 ILE A 58 4.795 7.840 0.440 1.00 0.00 C ATOM 0 H ILE A 58 4.221 11.971 0.036 1.00 0.00 H new ATOM 0 HA ILE A 58 6.285 11.588 2.244 1.00 0.00 H new ATOM 0 HB ILE A 58 6.590 9.928 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.591 9.286 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.090 9.855 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.256 8.375 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.003 9.970 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.531 9.525 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.797 7.437 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.018 7.815 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.527 7.237 0.978 1.00 0.00 H new ATOM 823 N HIS A 59 8.085 12.510 0.395 1.00 0.00 N ATOM 824 CA HIS A 59 8.878 13.438 -0.481 1.00 0.00 C ATOM 825 C HIS A 59 8.696 13.243 -2.003 1.00 0.00 C ATOM 826 O HIS A 59 8.219 14.131 -2.678 1.00 0.00 O ATOM 827 CB HIS A 59 10.366 13.280 -0.088 1.00 0.00 C ATOM 828 CG HIS A 59 11.072 14.624 -0.309 1.00 0.00 C ATOM 829 ND1 HIS A 59 10.828 15.460 -1.266 1.00 0.00 N ATOM 830 CD2 HIS A 59 12.081 15.228 0.413 1.00 0.00 C ATOM 831 CE1 HIS A 59 11.608 16.493 -1.158 1.00 0.00 C ATOM 832 NE2 HIS A 59 12.402 16.387 -0.125 1.00 0.00 N ATOM 0 H HIS A 59 8.631 11.943 1.044 1.00 0.00 H new ATOM 0 HA HIS A 59 8.501 14.446 -0.305 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.452 12.974 0.954 1.00 0.00 H new ATOM 0 HB3 HIS A 59 10.836 12.502 -0.689 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.543 14.809 1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.601 17.334 -1.836 1.00 0.00 H new ATOM 0 HE2 HIS A 59 13.109 17.050 0.192 1.00 0.00 H new ATOM 840 N ASN A 60 9.106 12.109 -2.504 1.00 0.00 N ATOM 841 CA ASN A 60 8.972 11.809 -3.968 1.00 0.00 C ATOM 842 C ASN A 60 8.622 10.335 -4.274 1.00 0.00 C ATOM 843 O ASN A 60 9.357 9.712 -5.014 1.00 0.00 O ATOM 844 CB ASN A 60 10.314 12.213 -4.660 1.00 0.00 C ATOM 845 CG ASN A 60 10.290 12.086 -6.203 1.00 0.00 C ATOM 846 OD1 ASN A 60 9.399 11.418 -6.870 1.00 0.00 O flip ATOM 847 ND2 ASN A 60 11.139 12.620 -6.876 1.00 0.00 N flip ATOM 0 H ASN A 60 9.535 11.363 -1.956 1.00 0.00 H new ATOM 0 HA ASN A 60 8.133 12.385 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.552 13.243 -4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.116 11.588 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.876 13.165 -6.429 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.119 12.526 -7.891 1.00 0.00 H new ATOM 854 N LEU A 61 7.556 9.811 -3.715 1.00 0.00 N ATOM 855 CA LEU A 61 7.176 8.374 -4.007 1.00 0.00 C ATOM 856 C LEU A 61 7.568 7.966 -5.465 1.00 0.00 C ATOM 857 O LEU A 61 7.320 8.687 -6.414 1.00 0.00 O ATOM 858 CB LEU A 61 5.642 8.300 -3.706 1.00 0.00 C ATOM 859 CG LEU A 61 4.789 7.178 -4.387 1.00 0.00 C ATOM 860 CD1 LEU A 61 4.502 7.535 -5.861 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.423 5.781 -4.335 1.00 0.00 C ATOM 0 H LEU A 61 6.933 10.303 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 61 7.715 7.653 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.523 8.195 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.205 9.259 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 61 3.867 7.133 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.908 6.744 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.951 8.475 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.444 7.639 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.766 5.065 -4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.387 5.800 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.566 5.485 -3.296 1.00 0.00 H new ATOM 873 N ASN A 62 8.182 6.831 -5.610 1.00 0.00 N ATOM 874 CA ASN A 62 8.601 6.352 -6.953 1.00 0.00 C ATOM 875 C ASN A 62 7.946 5.004 -7.302 1.00 0.00 C ATOM 876 O ASN A 62 8.462 3.985 -6.882 1.00 0.00 O ATOM 877 CB ASN A 62 10.129 6.281 -6.886 1.00 0.00 C ATOM 878 CG ASN A 62 10.665 5.888 -8.240 1.00 0.00 C ATOM 879 OD1 ASN A 62 10.377 4.737 -8.750 1.00 0.00 O flip ATOM 880 ND2 ASN A 62 11.366 6.615 -8.896 1.00 0.00 N flip ATOM 0 H ASN A 62 8.416 6.203 -4.841 1.00 0.00 H new ATOM 0 HA ASN A 62 8.279 7.018 -7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.537 7.246 -6.586 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.439 5.556 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.623 7.535 -8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.703 6.311 -9.809 1.00 0.00 H new ATOM 887 N LEU A 63 6.863 5.056 -8.044 1.00 0.00 N ATOM 888 CA LEU A 63 6.075 3.844 -8.491 1.00 0.00 C ATOM 889 C LEU A 63 6.803 2.499 -8.370 1.00 0.00 C ATOM 890 O LEU A 63 6.324 1.565 -7.764 1.00 0.00 O ATOM 891 CB LEU A 63 5.635 4.101 -9.960 1.00 0.00 C ATOM 892 CG LEU A 63 4.848 2.880 -10.536 1.00 0.00 C ATOM 893 CD1 LEU A 63 3.905 3.387 -11.634 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.809 1.897 -11.239 1.00 0.00 C ATOM 0 H LEU A 63 6.469 5.935 -8.378 1.00 0.00 H new ATOM 0 HA LEU A 63 5.228 3.738 -7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.011 4.993 -10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.513 4.295 -10.577 1.00 0.00 H new ATOM 0 HG LEU A 63 4.324 2.393 -9.713 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.346 2.548 -12.049 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.210 4.112 -11.211 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.488 3.861 -12.424 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.242 1.054 -11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.317 2.407 -12.057 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.547 1.535 -10.523 1.00 0.00 H new ATOM 906 N ASN A 64 7.957 2.444 -8.977 1.00 0.00 N ATOM 907 CA ASN A 64 8.818 1.212 -8.961 1.00 0.00 C ATOM 908 C ASN A 64 8.718 0.500 -7.604 1.00 0.00 C ATOM 909 O ASN A 64 8.247 -0.614 -7.493 1.00 0.00 O ATOM 910 CB ASN A 64 10.248 1.666 -9.247 1.00 0.00 C ATOM 911 CG ASN A 64 11.229 0.510 -9.297 1.00 0.00 C ATOM 912 OD1 ASN A 64 11.107 -0.509 -8.655 1.00 0.00 O ATOM 913 ND2 ASN A 64 12.248 0.641 -10.061 1.00 0.00 N ATOM 0 H ASN A 64 8.356 3.223 -9.501 1.00 0.00 H new ATOM 0 HA ASN A 64 8.491 0.495 -9.714 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.273 2.200 -10.197 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.562 2.371 -8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.940 -0.106 -10.121 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.368 1.492 -10.610 1.00 0.00 H new ATOM 920 N ASN A 65 9.138 1.191 -6.584 1.00 0.00 N ATOM 921 CA ASN A 65 9.077 0.556 -5.235 1.00 0.00 C ATOM 922 C ASN A 65 7.651 0.141 -4.943 1.00 0.00 C ATOM 923 O ASN A 65 7.409 -0.981 -4.542 1.00 0.00 O ATOM 924 CB ASN A 65 9.583 1.565 -4.255 1.00 0.00 C ATOM 925 CG ASN A 65 11.078 1.661 -4.432 1.00 0.00 C ATOM 926 OD1 ASN A 65 11.754 0.689 -4.718 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.615 2.831 -4.256 1.00 0.00 N ATOM 0 H ASN A 65 9.511 2.140 -6.618 1.00 0.00 H new ATOM 0 HA ASN A 65 9.690 -0.344 -5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.114 2.534 -4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.336 1.267 -3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.623 2.950 -4.357 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.029 3.631 -4.017 1.00 0.00 H new ATOM 934 N ALA A 66 6.761 1.064 -5.180 1.00 0.00 N ATOM 935 CA ALA A 66 5.317 0.787 -4.934 1.00 0.00 C ATOM 936 C ALA A 66 4.817 -0.513 -5.637 1.00 0.00 C ATOM 937 O ALA A 66 3.970 -1.202 -5.101 1.00 0.00 O ATOM 938 CB ALA A 66 4.577 2.073 -5.387 1.00 0.00 C ATOM 0 H ALA A 66 6.970 1.998 -5.533 1.00 0.00 H new ATOM 0 HA ALA A 66 5.119 0.577 -3.883 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.505 1.948 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.929 2.921 -4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.777 2.255 -6.443 1.00 0.00 H new ATOM 944 N ALA A 67 5.336 -0.819 -6.804 1.00 0.00 N ATOM 945 CA ALA A 67 4.912 -2.067 -7.547 1.00 0.00 C ATOM 946 C ALA A 67 5.767 -3.265 -7.067 1.00 0.00 C ATOM 947 O ALA A 67 5.346 -4.409 -6.995 1.00 0.00 O ATOM 948 CB ALA A 67 5.118 -1.829 -9.043 1.00 0.00 C ATOM 0 H ALA A 67 6.041 -0.258 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 67 3.863 -2.291 -7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.818 -2.718 -9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.513 -0.980 -9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.170 -1.619 -9.236 1.00 0.00 H new ATOM 954 N SER A 68 6.984 -2.945 -6.723 1.00 0.00 N ATOM 955 CA SER A 68 7.934 -3.966 -6.234 1.00 0.00 C ATOM 956 C SER A 68 7.241 -4.573 -5.050 1.00 0.00 C ATOM 957 O SER A 68 7.205 -5.780 -4.949 1.00 0.00 O ATOM 958 CB SER A 68 9.249 -3.292 -5.835 1.00 0.00 C ATOM 959 OG SER A 68 9.759 -4.058 -4.742 1.00 0.00 O ATOM 0 H SER A 68 7.361 -1.998 -6.764 1.00 0.00 H new ATOM 0 HA SER A 68 8.189 -4.719 -6.979 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.952 -3.282 -6.668 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.085 -2.255 -5.543 1.00 0.00 H new ATOM 0 HG SER A 68 10.046 -3.454 -4.025 1.00 0.00 H new ATOM 965 N ILE A 69 6.685 -3.761 -4.182 1.00 0.00 N ATOM 966 CA ILE A 69 6.014 -4.412 -3.027 1.00 0.00 C ATOM 967 C ILE A 69 4.976 -5.527 -3.380 1.00 0.00 C ATOM 968 O ILE A 69 5.160 -6.667 -2.974 1.00 0.00 O ATOM 969 CB ILE A 69 5.321 -3.344 -2.148 1.00 0.00 C ATOM 970 CG1 ILE A 69 6.260 -2.190 -1.732 1.00 0.00 C ATOM 971 CG2 ILE A 69 4.826 -4.055 -0.885 1.00 0.00 C ATOM 972 CD1 ILE A 69 7.241 -2.599 -0.571 1.00 0.00 C ATOM 0 H ILE A 69 6.667 -2.742 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 69 6.820 -4.919 -2.496 1.00 0.00 H new ATOM 0 HB ILE A 69 4.514 -2.895 -2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.840 -1.868 -2.597 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.662 -1.336 -1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.329 -3.336 -0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.123 -4.841 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.673 -4.495 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.878 -1.752 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.664 -2.894 0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.861 -3.435 -0.896 1.00 0.00 H new ATOM 984 N PRO A 70 3.906 -5.252 -4.112 1.00 0.00 N ATOM 985 CA PRO A 70 2.943 -6.303 -4.532 1.00 0.00 C ATOM 986 C PRO A 70 3.671 -7.414 -5.276 1.00 0.00 C ATOM 987 O PRO A 70 3.194 -8.529 -5.254 1.00 0.00 O ATOM 988 CB PRO A 70 1.874 -5.553 -5.369 1.00 0.00 C ATOM 989 CG PRO A 70 2.634 -4.343 -5.887 1.00 0.00 C ATOM 990 CD PRO A 70 3.476 -3.938 -4.652 1.00 0.00 C ATOM 0 HA PRO A 70 2.457 -6.816 -3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.493 -6.170 -6.183 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.017 -5.262 -4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.260 -4.591 -6.744 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.963 -3.544 -6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.327 -3.314 -4.927 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.889 -3.374 -3.927 1.00 0.00 H new ATOM 998 N SER A 71 4.774 -7.120 -5.922 1.00 0.00 N ATOM 999 CA SER A 71 5.525 -8.202 -6.649 1.00 0.00 C ATOM 1000 C SER A 71 6.115 -9.110 -5.554 1.00 0.00 C ATOM 1001 O SER A 71 5.804 -10.283 -5.471 1.00 0.00 O ATOM 1002 CB SER A 71 6.642 -7.555 -7.496 1.00 0.00 C ATOM 1003 OG SER A 71 7.704 -8.507 -7.453 1.00 0.00 O ATOM 0 H SER A 71 5.186 -6.189 -5.980 1.00 0.00 H new ATOM 0 HA SER A 71 4.890 -8.776 -7.324 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.312 -7.371 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.950 -6.594 -7.083 1.00 0.00 H new ATOM 0 HG SER A 71 8.464 -8.173 -7.974 1.00 0.00 H new ATOM 1009 N LYS A 72 6.943 -8.501 -4.748 1.00 0.00 N ATOM 1010 CA LYS A 72 7.634 -9.174 -3.608 1.00 0.00 C ATOM 1011 C LYS A 72 6.744 -10.167 -2.908 1.00 0.00 C ATOM 1012 O LYS A 72 7.142 -11.301 -2.729 1.00 0.00 O ATOM 1013 CB LYS A 72 8.071 -8.110 -2.657 1.00 0.00 C ATOM 1014 CG LYS A 72 9.270 -7.407 -3.267 1.00 0.00 C ATOM 1015 CD LYS A 72 9.393 -6.024 -2.639 1.00 0.00 C ATOM 1016 CE LYS A 72 9.200 -6.015 -1.126 1.00 0.00 C ATOM 1017 NZ LYS A 72 10.058 -7.064 -0.502 1.00 0.00 N ATOM 0 H LYS A 72 7.180 -7.513 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 72 8.486 -9.739 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.262 -7.401 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.333 -8.544 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.177 -7.985 -3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.150 -7.323 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.376 -5.615 -2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.656 -5.362 -3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.456 -5.035 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.153 -6.196 -0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.457 -7.823 -0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.702 -7.457 -1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.614 -6.644 0.270 1.00 0.00 H new ATOM 1031 N CYS A 73 5.577 -9.730 -2.505 1.00 0.00 N ATOM 1032 CA CYS A 73 4.699 -10.746 -1.818 1.00 0.00 C ATOM 1033 C CYS A 73 3.636 -11.408 -2.706 1.00 0.00 C ATOM 1034 O CYS A 73 2.649 -11.909 -2.214 1.00 0.00 O ATOM 1035 CB CYS A 73 4.028 -10.077 -0.614 1.00 0.00 C ATOM 1036 SG CYS A 73 5.128 -9.956 0.815 1.00 0.00 S ATOM 0 H CYS A 73 5.206 -8.785 -2.607 1.00 0.00 H new ATOM 0 HA CYS A 73 5.358 -11.562 -1.520 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.694 -9.079 -0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 73 3.139 -10.644 -0.337 1.00 0.00 H new ATOM 1041 N ASN A 74 3.863 -11.431 -3.984 1.00 0.00 N ATOM 1042 CA ASN A 74 2.911 -12.048 -4.959 1.00 0.00 C ATOM 1043 C ASN A 74 1.411 -11.664 -4.732 1.00 0.00 C ATOM 1044 O ASN A 74 0.562 -12.522 -4.584 1.00 0.00 O ATOM 1045 CB ASN A 74 3.129 -13.566 -4.843 1.00 0.00 C ATOM 1046 CG ASN A 74 4.556 -14.045 -5.106 1.00 0.00 C ATOM 1047 OD1 ASN A 74 4.809 -15.226 -5.069 1.00 0.00 O ATOM 1048 ND2 ASN A 74 5.561 -13.275 -5.377 1.00 0.00 N ATOM 0 H ASN A 74 4.698 -11.034 -4.414 1.00 0.00 H new ATOM 0 HA ASN A 74 3.118 -11.670 -5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.836 -13.883 -3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.461 -14.067 -5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.483 -13.679 -5.541 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.430 -12.265 -5.427 1.00 0.00 H new ATOM 1055 N VAL A 75 1.137 -10.384 -4.715 1.00 0.00 N ATOM 1056 CA VAL A 75 -0.281 -9.909 -4.506 1.00 0.00 C ATOM 1057 C VAL A 75 -0.955 -9.292 -5.763 1.00 0.00 C ATOM 1058 O VAL A 75 -2.117 -8.960 -5.678 1.00 0.00 O ATOM 1059 CB VAL A 75 -0.328 -8.834 -3.342 1.00 0.00 C ATOM 1060 CG1 VAL A 75 -1.568 -9.058 -2.460 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.890 -8.823 -2.425 1.00 0.00 C ATOM 0 H VAL A 75 1.827 -9.642 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.843 -10.808 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.354 -7.875 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.588 -8.313 -1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.468 -8.965 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.528 -10.055 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.764 -8.055 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.994 -9.797 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.784 -8.610 -3.010 1.00 0.00 H new ATOM 1071 N ASN A 76 -0.245 -9.156 -6.867 1.00 0.00 N ATOM 1072 CA ASN A 76 -0.787 -8.563 -8.171 1.00 0.00 C ATOM 1073 C ASN A 76 -2.073 -7.714 -8.014 1.00 0.00 C ATOM 1074 O ASN A 76 -3.065 -7.900 -8.697 1.00 0.00 O ATOM 1075 CB ASN A 76 -1.059 -9.739 -9.126 1.00 0.00 C ATOM 1076 CG ASN A 76 -2.228 -10.625 -8.660 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -3.049 -10.320 -7.703 1.00 0.00 O flip ATOM 1078 ND2 ASN A 76 -2.432 -11.686 -9.202 1.00 0.00 N flip ATOM 0 H ASN A 76 0.732 -9.441 -6.931 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.037 -7.870 -8.553 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.277 -9.351 -10.121 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.159 -10.348 -9.212 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.828 -11.994 -9.964 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.208 -12.273 -8.898 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.012 -6.787 -7.120 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.210 -5.946 -6.888 1.00 0.00 C ATOM 1087 C VAL A 77 -3.142 -4.530 -7.473 1.00 0.00 C ATOM 1088 O VAL A 77 -2.222 -3.798 -7.187 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.384 -5.981 -5.368 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.195 -5.350 -4.618 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -4.691 -5.338 -4.999 1.00 0.00 C ATOM 0 H VAL A 77 -1.199 -6.572 -6.543 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.076 -6.336 -7.422 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.403 -7.024 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.373 -5.403 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.282 -5.893 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.088 -4.307 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.816 -5.363 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.697 -4.303 -5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.510 -5.881 -5.471 1.00 0.00 H new ATOM 1101 N PRO A 78 -4.105 -4.173 -8.293 1.00 0.00 N ATOM 1102 CA PRO A 78 -4.340 -2.750 -8.694 1.00 0.00 C ATOM 1103 C PRO A 78 -3.976 -1.647 -7.660 1.00 0.00 C ATOM 1104 O PRO A 78 -3.471 -0.609 -8.037 1.00 0.00 O ATOM 1105 CB PRO A 78 -5.797 -2.807 -9.108 1.00 0.00 C ATOM 1106 CG PRO A 78 -5.849 -4.157 -9.875 1.00 0.00 C ATOM 1107 CD PRO A 78 -5.085 -5.103 -8.936 1.00 0.00 C ATOM 0 HA PRO A 78 -3.661 -2.418 -9.479 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.468 -2.797 -8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.077 -1.965 -9.741 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.873 -4.490 -10.041 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.374 -4.086 -10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.743 -5.572 -8.205 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.589 -5.907 -9.481 1.00 0.00 H new ATOM 1115 N TYR A 79 -4.238 -1.875 -6.394 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.898 -0.848 -5.348 1.00 0.00 C ATOM 1117 C TYR A 79 -2.549 -1.121 -4.615 1.00 0.00 C ATOM 1118 O TYR A 79 -2.337 -2.089 -3.913 1.00 0.00 O ATOM 1119 CB TYR A 79 -5.088 -0.773 -4.330 1.00 0.00 C ATOM 1120 CG TYR A 79 -5.567 -2.042 -3.639 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.803 -2.674 -2.675 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -6.809 -2.551 -3.975 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -5.284 -3.810 -2.060 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -7.281 -3.679 -3.349 1.00 0.00 C ATOM 1125 CZ TYR A 79 -6.520 -4.302 -2.406 1.00 0.00 C ATOM 1126 OH TYR A 79 -7.006 -5.440 -1.827 1.00 0.00 O ATOM 0 H TYR A 79 -4.672 -2.726 -6.037 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.756 0.109 -5.850 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.807 -0.064 -3.551 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.942 -0.346 -4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -3.834 -2.280 -2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.407 -2.062 -4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.692 -4.312 -1.309 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.254 -4.072 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.172 -6.114 -2.519 1.00 0.00 H new ATOM 1136 N THR A 80 -1.635 -0.216 -4.815 1.00 0.00 N ATOM 1137 CA THR A 80 -0.271 -0.308 -4.197 1.00 0.00 C ATOM 1138 C THR A 80 0.039 1.070 -3.584 1.00 0.00 C ATOM 1139 O THR A 80 -0.689 2.004 -3.830 1.00 0.00 O ATOM 1140 CB THR A 80 0.773 -0.652 -5.300 1.00 0.00 C ATOM 1141 OG1 THR A 80 0.925 0.545 -6.060 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.210 -1.614 -6.365 1.00 0.00 C ATOM 0 H THR A 80 -1.775 0.610 -5.397 1.00 0.00 H new ATOM 0 HA THR A 80 -0.231 -1.085 -3.434 1.00 0.00 H new ATOM 0 HB THR A 80 1.655 -1.066 -4.811 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.576 0.397 -6.777 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.978 -1.821 -7.110 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.095 -2.546 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.652 -1.156 -6.850 1.00 0.00 H new ATOM 1150 N ILE A 81 1.062 1.206 -2.798 1.00 0.00 N ATOM 1151 CA ILE A 81 1.426 2.538 -2.185 1.00 0.00 C ATOM 1152 C ILE A 81 1.570 3.743 -3.216 1.00 0.00 C ATOM 1153 O ILE A 81 2.652 4.226 -3.483 1.00 0.00 O ATOM 1154 CB ILE A 81 2.736 2.234 -1.384 1.00 0.00 C ATOM 1155 CG1 ILE A 81 3.498 3.453 -0.848 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.736 1.484 -2.255 1.00 0.00 C ATOM 1157 CD1 ILE A 81 2.547 4.336 -0.029 1.00 0.00 C ATOM 0 H ILE A 81 1.685 0.441 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 81 0.622 2.912 -1.551 1.00 0.00 H new ATOM 0 HB ILE A 81 2.370 1.659 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.333 3.128 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.919 4.024 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.640 1.282 -1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.297 0.542 -2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.987 2.091 -3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.090 5.201 0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.726 4.672 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.148 3.762 0.808 1.00 0.00 H new ATOM 1169 N SER A 82 0.466 4.197 -3.770 1.00 0.00 N ATOM 1170 CA SER A 82 0.422 5.342 -4.769 1.00 0.00 C ATOM 1171 C SER A 82 -0.426 6.561 -4.326 1.00 0.00 C ATOM 1172 O SER A 82 -1.430 6.412 -3.665 1.00 0.00 O ATOM 1173 CB SER A 82 -0.151 4.839 -6.113 1.00 0.00 C ATOM 1174 OG SER A 82 0.877 5.119 -7.058 1.00 0.00 O ATOM 0 H SER A 82 -0.454 3.806 -3.565 1.00 0.00 H new ATOM 0 HA SER A 82 1.454 5.681 -4.854 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.378 3.774 -6.075 1.00 0.00 H new ATOM 0 HB3 SER A 82 -1.077 5.353 -6.368 1.00 0.00 H new ATOM 0 HG SER A 82 0.592 4.826 -7.948 1.00 0.00 H new ATOM 1180 N PRO A 83 -0.045 7.770 -4.668 1.00 0.00 N ATOM 1181 CA PRO A 83 -0.961 8.847 -5.129 1.00 0.00 C ATOM 1182 C PRO A 83 -2.325 8.426 -5.685 1.00 0.00 C ATOM 1183 O PRO A 83 -3.347 8.867 -5.179 1.00 0.00 O ATOM 1184 CB PRO A 83 -0.072 9.647 -6.130 1.00 0.00 C ATOM 1185 CG PRO A 83 1.361 9.026 -5.988 1.00 0.00 C ATOM 1186 CD PRO A 83 1.340 8.283 -4.650 1.00 0.00 C ATOM 0 HA PRO A 83 -1.320 9.437 -4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.444 9.552 -7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.067 10.710 -5.890 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.581 8.348 -6.813 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.129 9.799 -5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.080 7.484 -4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.530 8.943 -3.803 1.00 0.00 H new ATOM 1194 N ASP A 84 -2.315 7.619 -6.707 1.00 0.00 N ATOM 1195 CA ASP A 84 -3.580 7.139 -7.321 1.00 0.00 C ATOM 1196 C ASP A 84 -3.634 5.597 -7.246 1.00 0.00 C ATOM 1197 O ASP A 84 -3.094 4.832 -8.022 1.00 0.00 O ATOM 1198 CB ASP A 84 -3.664 7.612 -8.784 1.00 0.00 C ATOM 1199 CG ASP A 84 -5.127 7.373 -9.170 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -5.952 8.011 -8.538 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -5.359 6.568 -10.047 1.00 0.00 O ATOM 0 H ASP A 84 -1.467 7.266 -7.150 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.430 7.550 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.393 8.664 -8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.985 7.049 -9.425 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.295 5.207 -6.205 1.00 0.00 N ATOM 1207 CA ILE A 85 -4.503 3.768 -5.892 1.00 0.00 C ATOM 1208 C ILE A 85 -5.877 3.316 -6.345 1.00 0.00 C ATOM 1209 O ILE A 85 -6.858 3.707 -5.745 1.00 0.00 O ATOM 1210 CB ILE A 85 -4.332 3.582 -4.377 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -2.923 3.996 -4.061 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -4.408 2.114 -4.033 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -2.701 4.104 -2.542 1.00 0.00 C ATOM 0 H ILE A 85 -4.717 5.846 -5.531 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.773 3.157 -6.423 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.094 4.147 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.226 3.272 -4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.709 4.956 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.286 1.986 -2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.377 1.718 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.616 1.577 -4.554 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.672 4.405 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.382 4.847 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.891 3.137 -2.077 1.00 0.00 H new ATOM 1225 N ASP A 86 -5.936 2.536 -7.380 1.00 0.00 N ATOM 1226 CA ASP A 86 -7.202 1.982 -7.958 1.00 0.00 C ATOM 1227 C ASP A 86 -8.323 1.535 -6.961 1.00 0.00 C ATOM 1228 O ASP A 86 -9.441 1.278 -7.379 1.00 0.00 O ATOM 1229 CB ASP A 86 -6.647 0.874 -8.866 1.00 0.00 C ATOM 1230 CG ASP A 86 -7.596 -0.227 -9.217 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -7.967 -0.920 -8.287 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -7.908 -0.368 -10.383 1.00 0.00 O ATOM 0 H ASP A 86 -5.103 2.237 -7.887 1.00 0.00 H new ATOM 0 HA ASP A 86 -7.788 2.743 -8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.296 1.332 -9.791 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.777 0.434 -8.378 1.00 0.00 H new ATOM 1237 N CYS A 87 -8.019 1.459 -5.673 1.00 0.00 N ATOM 1238 CA CYS A 87 -9.020 1.039 -4.618 1.00 0.00 C ATOM 1239 C CYS A 87 -10.392 1.568 -5.024 1.00 0.00 C ATOM 1240 O CYS A 87 -11.419 0.941 -4.896 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.599 1.616 -3.260 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.122 2.632 -3.069 1.00 0.00 S ATOM 0 H CYS A 87 -7.094 1.677 -5.301 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.059 -0.047 -4.533 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.438 2.210 -2.897 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.489 0.771 -2.580 1.00 0.00 H new ATOM 1247 N SER A 88 -10.284 2.771 -5.502 1.00 0.00 N ATOM 1248 CA SER A 88 -11.426 3.571 -6.015 1.00 0.00 C ATOM 1249 C SER A 88 -12.620 2.745 -6.550 1.00 0.00 C ATOM 1250 O SER A 88 -13.772 3.022 -6.276 1.00 0.00 O ATOM 1251 CB SER A 88 -10.834 4.442 -7.091 1.00 0.00 C ATOM 1252 OG SER A 88 -10.235 5.545 -6.391 1.00 0.00 O ATOM 0 H SER A 88 -9.392 3.261 -5.560 1.00 0.00 H new ATOM 0 HA SER A 88 -11.872 4.136 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.093 3.897 -7.676 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.600 4.785 -7.786 1.00 0.00 H new ATOM 0 HG SER A 88 -9.825 6.158 -7.036 1.00 0.00 H new ATOM 1258 N ARG A 89 -12.246 1.746 -7.307 1.00 0.00 N ATOM 1259 CA ARG A 89 -13.222 0.811 -7.947 1.00 0.00 C ATOM 1260 C ARG A 89 -13.082 -0.637 -7.428 1.00 0.00 C ATOM 1261 O ARG A 89 -14.045 -1.303 -7.110 1.00 0.00 O ATOM 1262 CB ARG A 89 -12.976 0.922 -9.490 1.00 0.00 C ATOM 1263 CG ARG A 89 -11.543 0.432 -9.927 1.00 0.00 C ATOM 1264 CD ARG A 89 -11.676 -0.889 -10.705 1.00 0.00 C ATOM 1265 NE ARG A 89 -10.297 -1.488 -10.808 1.00 0.00 N ATOM 1266 CZ ARG A 89 -10.083 -2.692 -10.452 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -10.888 -3.602 -10.791 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -9.058 -2.930 -9.753 1.00 0.00 N ATOM 0 H ARG A 89 -11.271 1.533 -7.515 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.246 1.086 -7.695 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -13.729 0.335 -10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -13.108 1.959 -9.799 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.061 1.187 -10.548 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.911 0.290 -9.050 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.354 -1.571 -10.192 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.093 -0.711 -11.696 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.527 -0.923 -11.167 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.710 -3.374 -11.350 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.717 -4.566 -10.506 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.432 -2.169 -9.491 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.857 -3.883 -9.451 1.00 0.00 H new