USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 736 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 101 SER OG : rot 140:sc= -0.493 USER MOD Set 2.1: A 41 SER OG : rot -52:sc= 0.299 USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.17) USER MOD Single : A 22 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.5!) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.0542 F(o=-1.2,f=-0.054) USER MOD Single : A 29 MET CE :methyl -133:sc= -1.43 (180deg=-2.97!) USER MOD Single : A 32 TYR OH : rot 180:sc= -2.58! USER MOD Single : A 33 ASN :FLIP amide:sc= -0.81 F(o=-2.8!,f=-0.81) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.45 F(o=-2.8!,f=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= -0.0525 (180deg=-0.612) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.649 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.011) USER MOD Single : A 56 SER OG : rot -103:sc= 0.859 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 69 THR OG1 : rot 127:sc= -1.92! USER MOD Single : A 70 THR OG1 : rot -49:sc= 0.9 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.926 F(o=-1.6,f=-0.93) USER MOD Single : A 91 LYS NZ :NH3+ -157:sc= -0.0901 (180deg=-0.62) USER MOD Single : A 92 TYR OH : rot -163:sc= 0.208 USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.9! C(o=-2.9!,f=-7.2!) USER MOD Single : A 107 GLN : amide:sc= -1.27! C(o=-1.3!,f=-2.5!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 7 N ALA A 10 -16.388 0.356 17.058 1.00 0.00 N ATOM 8 CA ALA A 10 -14.982 0.849 17.029 1.00 0.00 C ATOM 9 C ALA A 10 -14.162 -0.003 16.056 1.00 0.00 C ATOM 10 O ALA A 10 -14.567 -1.086 15.686 1.00 0.00 O ATOM 11 CB ALA A 10 -14.377 0.746 18.429 1.00 0.00 C ATOM 0 HA ALA A 10 -14.969 1.889 16.702 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -13.349 1.106 18.408 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -14.960 1.352 19.123 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -14.390 -0.294 18.756 1.00 0.00 H new ATOM 17 N PRO A 11 -13.027 0.522 15.674 1.00 0.00 N ATOM 18 CA PRO A 11 -12.088 -0.151 14.729 1.00 0.00 C ATOM 19 C PRO A 11 -11.228 -1.182 15.468 1.00 0.00 C ATOM 20 O PRO A 11 -11.148 -1.184 16.680 1.00 0.00 O ATOM 21 CB PRO A 11 -11.234 1.001 14.218 1.00 0.00 C ATOM 22 CG PRO A 11 -11.289 2.103 15.271 1.00 0.00 C ATOM 23 CD PRO A 11 -12.534 1.859 16.132 1.00 0.00 C ATOM 0 HA PRO A 11 -12.592 -0.698 13.932 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.207 0.676 14.055 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.610 1.364 13.261 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.389 2.090 15.886 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.337 3.083 14.797 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.291 1.853 17.195 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.284 2.635 15.981 1.00 0.00 H new ATOM 31 N VAL A 12 -10.583 -2.053 14.742 1.00 0.00 N ATOM 32 CA VAL A 12 -9.726 -3.082 15.393 1.00 0.00 C ATOM 33 C VAL A 12 -8.613 -3.479 14.423 1.00 0.00 C ATOM 34 O VAL A 12 -8.705 -3.215 13.243 1.00 0.00 O ATOM 35 CB VAL A 12 -10.574 -4.309 15.740 1.00 0.00 C ATOM 36 CG1 VAL A 12 -11.418 -4.009 16.982 1.00 0.00 C ATOM 37 CG2 VAL A 12 -11.497 -4.643 14.566 1.00 0.00 C ATOM 0 H VAL A 12 -10.613 -2.096 13.723 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.291 -2.681 16.309 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.920 -5.158 15.939 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.022 -4.881 17.231 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.762 -3.772 17.819 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.072 -3.160 16.781 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.100 -5.516 14.814 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.152 -3.795 14.365 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.897 -4.856 13.681 1.00 0.00 H new ATOM 47 N PRO A 13 -7.591 -4.097 14.948 1.00 0.00 N ATOM 48 CA PRO A 13 -6.415 -4.553 14.149 1.00 0.00 C ATOM 49 C PRO A 13 -6.754 -5.835 13.383 1.00 0.00 C ATOM 50 O PRO A 13 -7.701 -6.527 13.702 1.00 0.00 O ATOM 51 CB PRO A 13 -5.350 -4.798 15.209 1.00 0.00 C ATOM 52 CG PRO A 13 -6.079 -5.054 16.523 1.00 0.00 C ATOM 53 CD PRO A 13 -7.474 -4.429 16.404 1.00 0.00 C ATOM 0 HA PRO A 13 -6.095 -3.836 13.393 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.728 -5.652 14.940 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.688 -3.937 15.297 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.153 -6.124 16.718 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.532 -4.615 17.357 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.252 -5.124 16.720 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.569 -3.539 17.027 1.00 0.00 H new ATOM 61 N VAL A 14 -5.996 -6.152 12.368 1.00 0.00 N ATOM 62 CA VAL A 14 -6.283 -7.380 11.577 1.00 0.00 C ATOM 63 C VAL A 14 -5.235 -8.453 11.870 1.00 0.00 C ATOM 64 O VAL A 14 -4.066 -8.170 12.045 1.00 0.00 O ATOM 65 CB VAL A 14 -6.252 -7.042 10.095 1.00 0.00 C ATOM 66 CG1 VAL A 14 -7.080 -8.069 9.320 1.00 0.00 C ATOM 67 CG2 VAL A 14 -6.816 -5.635 9.850 1.00 0.00 C ATOM 0 H VAL A 14 -5.190 -5.612 12.053 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.268 -7.758 11.853 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.218 -7.067 9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.058 -7.827 8.257 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.663 -9.064 9.474 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.110 -8.049 9.675 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.785 -5.411 8.784 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.847 -5.590 10.201 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.216 -4.903 10.391 1.00 0.00 H new ATOM 77 N ASP A 15 -5.648 -9.692 11.923 1.00 0.00 N ATOM 78 CA ASP A 15 -4.689 -10.798 12.200 1.00 0.00 C ATOM 79 C ASP A 15 -4.219 -11.401 10.872 1.00 0.00 C ATOM 80 O ASP A 15 -5.004 -11.634 9.975 1.00 0.00 O ATOM 81 CB ASP A 15 -5.396 -11.879 13.033 1.00 0.00 C ATOM 82 CG ASP A 15 -6.809 -12.097 12.489 1.00 0.00 C ATOM 83 OD1 ASP A 15 -6.925 -12.516 11.348 1.00 0.00 O ATOM 84 OD2 ASP A 15 -7.751 -11.844 13.221 1.00 0.00 O ATOM 0 H ASP A 15 -6.615 -9.986 11.785 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.830 -10.416 12.751 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.832 -12.811 12.994 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.440 -11.577 14.079 1.00 0.00 H new ATOM 89 N GLU A 16 -2.943 -11.656 10.737 1.00 0.00 N ATOM 90 CA GLU A 16 -2.431 -12.241 9.464 1.00 0.00 C ATOM 91 C GLU A 16 -2.685 -13.752 9.445 1.00 0.00 C ATOM 92 O GLU A 16 -2.208 -14.459 8.581 1.00 0.00 O ATOM 93 CB GLU A 16 -0.928 -11.978 9.353 1.00 0.00 C ATOM 94 CG GLU A 16 -0.186 -12.791 10.416 1.00 0.00 C ATOM 95 CD GLU A 16 0.359 -14.074 9.786 1.00 0.00 C ATOM 96 OE1 GLU A 16 1.057 -13.971 8.790 1.00 0.00 O ATOM 97 OE2 GLU A 16 0.070 -15.138 10.309 1.00 0.00 O ATOM 0 H GLU A 16 -2.236 -11.485 11.452 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.949 -11.779 8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.573 -12.250 8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.724 -10.915 9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.631 -12.203 10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.858 -13.034 11.239 1.00 0.00 H new ATOM 104 N ASN A 17 -3.431 -14.255 10.393 1.00 0.00 N ATOM 105 CA ASN A 17 -3.710 -15.713 10.426 1.00 0.00 C ATOM 106 C ASN A 17 -4.636 -16.095 9.268 1.00 0.00 C ATOM 107 O ASN A 17 -4.531 -17.169 8.709 1.00 0.00 O ATOM 108 CB ASN A 17 -4.387 -16.055 11.752 1.00 0.00 C ATOM 109 CG ASN A 17 -3.454 -15.693 12.910 1.00 0.00 C ATOM 110 OD1 ASN A 17 -2.305 -16.083 12.923 1.00 0.00 O ATOM 111 ND2 ASN A 17 -3.904 -14.957 13.890 1.00 0.00 N ATOM 0 H ASN A 17 -3.858 -13.715 11.145 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.775 -16.266 10.329 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.326 -15.510 11.844 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.630 -17.117 11.785 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.290 -14.710 14.666 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.870 -14.629 13.880 1.00 0.00 H new ATOM 118 N ASP A 18 -5.546 -15.232 8.908 1.00 0.00 N ATOM 119 CA ASP A 18 -6.478 -15.557 7.793 1.00 0.00 C ATOM 120 C ASP A 18 -5.831 -15.179 6.455 1.00 0.00 C ATOM 121 O ASP A 18 -5.204 -14.148 6.325 1.00 0.00 O ATOM 122 CB ASP A 18 -7.789 -14.777 7.978 1.00 0.00 C ATOM 123 CG ASP A 18 -7.596 -13.322 7.539 1.00 0.00 C ATOM 124 OD1 ASP A 18 -6.609 -12.730 7.944 1.00 0.00 O ATOM 125 OD2 ASP A 18 -8.437 -12.829 6.808 1.00 0.00 O ATOM 0 H ASP A 18 -5.684 -14.317 9.337 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.692 -16.626 7.797 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.584 -15.240 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.100 -14.813 9.022 1.00 0.00 H new ATOM 130 N GLU A 19 -5.982 -16.011 5.459 1.00 0.00 N ATOM 131 CA GLU A 19 -5.377 -15.704 4.128 1.00 0.00 C ATOM 132 C GLU A 19 -6.307 -14.750 3.354 1.00 0.00 C ATOM 133 O GLU A 19 -6.061 -14.411 2.215 1.00 0.00 O ATOM 134 CB GLU A 19 -5.166 -17.034 3.367 1.00 0.00 C ATOM 135 CG GLU A 19 -5.366 -16.850 1.863 1.00 0.00 C ATOM 136 CD GLU A 19 -4.260 -15.957 1.295 1.00 0.00 C ATOM 137 OE1 GLU A 19 -3.118 -16.141 1.684 1.00 0.00 O ATOM 138 OE2 GLU A 19 -4.575 -15.102 0.484 1.00 0.00 O ATOM 0 H GLU A 19 -6.498 -16.890 5.509 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.412 -15.210 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.161 -17.410 3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.864 -17.784 3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.354 -17.819 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.341 -16.404 1.669 1.00 0.00 H new ATOM 145 N GLY A 20 -7.367 -14.299 3.969 1.00 0.00 N ATOM 146 CA GLY A 20 -8.292 -13.366 3.264 1.00 0.00 C ATOM 147 C GLY A 20 -7.633 -11.993 3.123 1.00 0.00 C ATOM 148 O GLY A 20 -7.672 -11.380 2.075 1.00 0.00 O ATOM 0 H GLY A 20 -7.632 -14.535 4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.543 -13.762 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.226 -13.276 3.819 1.00 0.00 H new ATOM 152 N LEU A 21 -7.033 -11.498 4.171 1.00 0.00 N ATOM 153 CA LEU A 21 -6.381 -10.159 4.089 1.00 0.00 C ATOM 154 C LEU A 21 -5.103 -10.248 3.243 1.00 0.00 C ATOM 155 O LEU A 21 -4.701 -9.288 2.617 1.00 0.00 O ATOM 156 CB LEU A 21 -6.033 -9.670 5.498 1.00 0.00 C ATOM 157 CG LEU A 21 -5.450 -8.253 5.432 1.00 0.00 C ATOM 158 CD1 LEU A 21 -4.000 -8.316 4.948 1.00 0.00 C ATOM 159 CD2 LEU A 21 -6.272 -7.396 4.466 1.00 0.00 C ATOM 0 H LEU A 21 -6.966 -11.960 5.078 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.069 -9.456 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.925 -9.676 6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.314 -10.347 5.960 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.484 -7.807 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.588 -7.308 4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.411 -8.918 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.967 -8.767 3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.852 -6.391 4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.246 -7.842 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.304 -7.344 4.813 1.00 0.00 H new ATOM 171 N GLN A 22 -4.462 -11.388 3.214 1.00 0.00 N ATOM 172 CA GLN A 22 -3.221 -11.523 2.411 1.00 0.00 C ATOM 173 C GLN A 22 -3.546 -11.301 0.933 1.00 0.00 C ATOM 174 O GLN A 22 -2.665 -11.114 0.116 1.00 0.00 O ATOM 175 CB GLN A 22 -2.614 -12.907 2.641 1.00 0.00 C ATOM 176 CG GLN A 22 -1.123 -12.851 2.339 1.00 0.00 C ATOM 177 CD GLN A 22 -0.524 -14.257 2.424 1.00 0.00 C ATOM 178 OE1 GLN A 22 -1.190 -15.189 2.827 1.00 0.00 O ATOM 179 NE2 GLN A 22 0.714 -14.448 2.058 1.00 0.00 N ATOM 0 H GLN A 22 -4.749 -12.229 3.714 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.492 -10.774 2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -2.778 -13.223 3.671 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.100 -13.643 2.000 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.959 -12.435 1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.624 -12.190 3.047 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.272 -13.664 1.720 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.123 -15.381 2.110 1.00 0.00 H new ATOM 188 N ARG A 23 -4.805 -11.295 0.585 1.00 0.00 N ATOM 189 CA ARG A 23 -5.181 -11.053 -0.833 1.00 0.00 C ATOM 190 C ARG A 23 -5.179 -9.544 -1.070 1.00 0.00 C ATOM 191 O ARG A 23 -4.843 -9.067 -2.135 1.00 0.00 O ATOM 192 CB ARG A 23 -6.579 -11.616 -1.098 1.00 0.00 C ATOM 193 CG ARG A 23 -7.002 -11.281 -2.529 1.00 0.00 C ATOM 194 CD ARG A 23 -8.148 -12.202 -2.951 1.00 0.00 C ATOM 195 NE ARG A 23 -8.024 -12.511 -4.402 1.00 0.00 N ATOM 196 CZ ARG A 23 -8.284 -13.714 -4.838 1.00 0.00 C ATOM 197 NH1 ARG A 23 -9.521 -14.120 -4.937 1.00 0.00 N ATOM 198 NH2 ARG A 23 -7.307 -14.510 -5.174 1.00 0.00 N ATOM 0 H ARG A 23 -5.587 -11.447 1.222 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.474 -11.543 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.582 -12.696 -0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.292 -11.196 -0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.316 -10.239 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.157 -11.401 -3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.123 -13.123 -2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.107 -11.724 -2.750 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.736 -11.783 -5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.285 -13.497 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.724 -15.060 -5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.341 -14.193 -5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.509 -15.450 -5.515 1.00 0.00 H new ATOM 212 N ALA A 24 -5.548 -8.793 -0.068 1.00 0.00 N ATOM 213 CA ALA A 24 -5.563 -7.317 -0.200 1.00 0.00 C ATOM 214 C ALA A 24 -4.139 -6.830 -0.475 1.00 0.00 C ATOM 215 O ALA A 24 -3.925 -5.754 -0.997 1.00 0.00 O ATOM 216 CB ALA A 24 -6.070 -6.695 1.103 1.00 0.00 C ATOM 0 H ALA A 24 -5.841 -9.147 0.843 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.220 -7.025 -1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.082 -5.609 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.079 -7.052 1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.411 -6.980 1.923 1.00 0.00 H new ATOM 222 N LEU A 25 -3.165 -7.621 -0.116 1.00 0.00 N ATOM 223 CA LEU A 25 -1.755 -7.233 -0.330 1.00 0.00 C ATOM 224 C LEU A 25 -1.439 -7.244 -1.835 1.00 0.00 C ATOM 225 O LEU A 25 -0.789 -6.354 -2.346 1.00 0.00 O ATOM 226 CB LEU A 25 -0.875 -8.231 0.449 1.00 0.00 C ATOM 227 CG LEU A 25 0.498 -8.392 -0.203 1.00 0.00 C ATOM 228 CD1 LEU A 25 0.346 -9.307 -1.415 1.00 0.00 C ATOM 229 CD2 LEU A 25 1.048 -7.030 -0.637 1.00 0.00 C ATOM 0 H LEU A 25 -3.296 -8.532 0.323 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.559 -6.224 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.753 -7.886 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.373 -9.199 0.495 1.00 0.00 H new ATOM 0 HG LEU A 25 1.199 -8.825 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.315 -9.436 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.032 -10.277 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.354 -8.861 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.026 -7.163 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.366 -6.574 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.144 -6.382 0.234 1.00 0.00 H new ATOM 241 N GLN A 26 -1.894 -8.240 -2.547 1.00 0.00 N ATOM 242 CA GLN A 26 -1.612 -8.294 -4.017 1.00 0.00 C ATOM 243 C GLN A 26 -2.322 -7.126 -4.718 1.00 0.00 C ATOM 244 O GLN A 26 -2.046 -6.814 -5.859 1.00 0.00 O ATOM 245 CB GLN A 26 -2.129 -9.634 -4.602 1.00 0.00 C ATOM 246 CG GLN A 26 -1.157 -10.793 -4.291 1.00 0.00 C ATOM 247 CD GLN A 26 -1.236 -11.851 -5.403 1.00 0.00 C ATOM 248 OE1 GLN A 26 -2.231 -11.835 -6.256 1.00 0.00 O flip ATOM 249 NE2 GLN A 26 -0.377 -12.704 -5.499 1.00 0.00 N flip ATOM 0 H GLN A 26 -2.446 -9.016 -2.180 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.537 -8.220 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.112 -9.859 -4.188 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.252 -9.539 -5.681 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.138 -10.414 -4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.408 -11.242 -3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.400 -12.722 -4.838 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.432 -13.402 -6.240 1.00 0.00 H new ATOM 258 N PHE A 27 -3.229 -6.478 -4.041 1.00 0.00 N ATOM 259 CA PHE A 27 -3.960 -5.323 -4.659 1.00 0.00 C ATOM 260 C PHE A 27 -3.088 -4.077 -4.604 1.00 0.00 C ATOM 261 O PHE A 27 -2.958 -3.342 -5.562 1.00 0.00 O ATOM 262 CB PHE A 27 -5.232 -5.021 -3.874 1.00 0.00 C ATOM 263 CG PHE A 27 -6.427 -4.955 -4.793 1.00 0.00 C ATOM 264 CD1 PHE A 27 -6.348 -4.256 -6.005 1.00 0.00 C ATOM 265 CD2 PHE A 27 -7.628 -5.567 -4.415 1.00 0.00 C ATOM 266 CE1 PHE A 27 -7.473 -4.171 -6.836 1.00 0.00 C ATOM 267 CE2 PHE A 27 -8.749 -5.486 -5.249 1.00 0.00 C ATOM 268 CZ PHE A 27 -8.671 -4.787 -6.458 1.00 0.00 C ATOM 0 H PHE A 27 -3.500 -6.696 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.202 -5.587 -5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.390 -5.791 -3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.122 -4.074 -3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.422 -3.784 -6.298 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.690 -6.102 -3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.415 -3.630 -7.769 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.674 -5.963 -4.959 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.537 -4.723 -7.101 1.00 0.00 H new ATOM 278 N ALA A 28 -2.520 -3.823 -3.466 1.00 0.00 N ATOM 279 CA ALA A 28 -1.683 -2.611 -3.292 1.00 0.00 C ATOM 280 C ALA A 28 -0.472 -2.640 -4.231 1.00 0.00 C ATOM 281 O ALA A 28 -0.145 -1.654 -4.861 1.00 0.00 O ATOM 282 CB ALA A 28 -1.216 -2.563 -1.844 1.00 0.00 C ATOM 0 H ALA A 28 -2.601 -4.411 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.269 -1.725 -3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.597 -1.679 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.082 -2.519 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.634 -3.457 -1.620 1.00 0.00 H new ATOM 288 N MET A 29 0.202 -3.751 -4.323 1.00 0.00 N ATOM 289 CA MET A 29 1.396 -3.823 -5.213 1.00 0.00 C ATOM 290 C MET A 29 0.989 -3.587 -6.671 1.00 0.00 C ATOM 291 O MET A 29 1.791 -3.176 -7.485 1.00 0.00 O ATOM 292 CB MET A 29 2.038 -5.205 -5.083 1.00 0.00 C ATOM 293 CG MET A 29 3.467 -5.054 -4.556 1.00 0.00 C ATOM 294 SD MET A 29 3.420 -4.433 -2.856 1.00 0.00 S ATOM 295 CE MET A 29 3.945 -2.738 -3.220 1.00 0.00 C ATOM 0 H MET A 29 -0.020 -4.611 -3.822 1.00 0.00 H new ATOM 0 HA MET A 29 2.107 -3.052 -4.916 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.453 -5.828 -4.406 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.047 -5.707 -6.051 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.982 -6.014 -4.590 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.029 -4.368 -5.190 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.724 -2.440 -2.519 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.334 -2.688 -4.237 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.093 -2.065 -3.124 1.00 0.00 H new ATOM 305 N ALA A 30 -0.243 -3.846 -7.014 1.00 0.00 N ATOM 306 CA ALA A 30 -0.674 -3.637 -8.426 1.00 0.00 C ATOM 307 C ALA A 30 -1.006 -2.162 -8.648 1.00 0.00 C ATOM 308 O ALA A 30 -0.615 -1.575 -9.635 1.00 0.00 O ATOM 309 CB ALA A 30 -1.912 -4.490 -8.718 1.00 0.00 C ATOM 0 H ALA A 30 -0.966 -4.191 -6.383 1.00 0.00 H new ATOM 0 HA ALA A 30 0.134 -3.931 -9.096 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.225 -4.335 -9.751 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.673 -5.542 -8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.720 -4.200 -8.047 1.00 0.00 H new ATOM 315 N GLU A 31 -1.722 -1.551 -7.745 1.00 0.00 N ATOM 316 CA GLU A 31 -2.063 -0.111 -7.928 1.00 0.00 C ATOM 317 C GLU A 31 -0.773 0.706 -7.949 1.00 0.00 C ATOM 318 O GLU A 31 -0.668 1.713 -8.619 1.00 0.00 O ATOM 319 CB GLU A 31 -2.943 0.374 -6.774 1.00 0.00 C ATOM 320 CG GLU A 31 -4.008 -0.672 -6.442 1.00 0.00 C ATOM 321 CD GLU A 31 -3.989 -0.949 -4.939 1.00 0.00 C ATOM 322 OE1 GLU A 31 -3.433 -0.139 -4.216 1.00 0.00 O ATOM 323 OE2 GLU A 31 -4.536 -1.961 -4.535 1.00 0.00 O ATOM 0 H GLU A 31 -2.084 -1.982 -6.894 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.604 0.013 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.328 0.568 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.420 1.316 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.992 -0.315 -6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.817 -1.591 -6.996 1.00 0.00 H new ATOM 330 N TYR A 32 0.208 0.272 -7.213 1.00 0.00 N ATOM 331 CA TYR A 32 1.512 1.019 -7.178 1.00 0.00 C ATOM 332 C TYR A 32 2.159 0.994 -8.560 1.00 0.00 C ATOM 333 O TYR A 32 2.896 1.885 -8.934 1.00 0.00 O ATOM 334 CB TYR A 32 2.471 0.349 -6.194 1.00 0.00 C ATOM 335 CG TYR A 32 3.686 1.233 -5.998 1.00 0.00 C ATOM 336 CD1 TYR A 32 4.737 1.200 -6.928 1.00 0.00 C ATOM 337 CD2 TYR A 32 3.764 2.091 -4.892 1.00 0.00 C ATOM 338 CE1 TYR A 32 5.858 2.019 -6.748 1.00 0.00 C ATOM 339 CE2 TYR A 32 4.887 2.909 -4.715 1.00 0.00 C ATOM 340 CZ TYR A 32 5.933 2.874 -5.643 1.00 0.00 C ATOM 341 OH TYR A 32 7.038 3.682 -5.468 1.00 0.00 O ATOM 0 H TYR A 32 0.172 -0.565 -6.632 1.00 0.00 H new ATOM 0 HA TYR A 32 1.314 2.046 -6.870 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.972 0.180 -5.240 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.775 -0.627 -6.572 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.681 0.542 -7.783 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.957 2.121 -4.175 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.667 1.991 -7.463 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.945 3.568 -3.861 1.00 0.00 H new ATOM 0 HH TYR A 32 6.929 4.213 -4.652 1.00 0.00 H new ATOM 351 N ASN A 33 1.903 -0.034 -9.306 1.00 0.00 N ATOM 352 CA ASN A 33 2.533 -0.138 -10.683 1.00 0.00 C ATOM 353 C ASN A 33 1.653 0.534 -11.747 1.00 0.00 C ATOM 354 O ASN A 33 2.103 1.393 -12.477 1.00 0.00 O ATOM 355 CB ASN A 33 2.792 -1.610 -11.108 1.00 0.00 C ATOM 356 CG ASN A 33 3.380 -1.625 -12.528 1.00 0.00 C ATOM 357 OD1 ASN A 33 2.630 -1.308 -13.556 1.00 0.00 O flip ATOM 358 ND2 ASN A 33 4.544 -1.927 -12.706 1.00 0.00 N flip ATOM 0 H ASN A 33 1.294 -0.810 -9.044 1.00 0.00 H new ATOM 0 HA ASN A 33 3.491 0.377 -10.614 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.480 -2.088 -10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.863 -2.179 -11.079 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.134 -2.175 -11.912 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.931 -1.933 -13.650 1.00 0.00 H new ATOM 365 N ARG A 34 0.415 0.138 -11.865 1.00 0.00 N ATOM 366 CA ARG A 34 -0.471 0.721 -12.889 1.00 0.00 C ATOM 367 C ARG A 34 -0.761 2.197 -12.599 1.00 0.00 C ATOM 368 O ARG A 34 -1.123 2.949 -13.483 1.00 0.00 O ATOM 369 CB ARG A 34 -1.773 -0.058 -12.852 1.00 0.00 C ATOM 370 CG ARG A 34 -2.326 -0.065 -11.424 1.00 0.00 C ATOM 371 CD ARG A 34 -3.721 0.565 -11.418 1.00 0.00 C ATOM 372 NE ARG A 34 -4.011 1.124 -10.068 1.00 0.00 N ATOM 373 CZ ARG A 34 -5.201 0.992 -9.549 1.00 0.00 C ATOM 374 NH1 ARG A 34 -5.693 -0.198 -9.339 1.00 0.00 N ATOM 375 NH2 ARG A 34 -5.897 2.052 -9.239 1.00 0.00 N ATOM 0 H ARG A 34 -0.019 -0.577 -11.281 1.00 0.00 H new ATOM 0 HA ARG A 34 0.009 0.662 -13.866 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.497 0.392 -13.531 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.607 -1.080 -13.194 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.374 -1.086 -11.045 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.661 0.490 -10.762 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.778 1.353 -12.169 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.470 -0.182 -11.682 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.279 1.610 -9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.147 -1.025 -9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.623 -0.301 -8.933 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.511 2.982 -9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.827 1.951 -8.833 1.00 0.00 H new ATOM 389 N ALA A 35 -0.637 2.614 -11.374 1.00 0.00 N ATOM 390 CA ALA A 35 -0.941 4.037 -11.047 1.00 0.00 C ATOM 391 C ALA A 35 0.204 4.960 -11.486 1.00 0.00 C ATOM 392 O ALA A 35 -0.013 5.913 -12.208 1.00 0.00 O ATOM 393 CB ALA A 35 -1.170 4.179 -9.538 1.00 0.00 C ATOM 0 H ALA A 35 -0.340 2.038 -10.586 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.842 4.330 -11.586 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.392 5.219 -9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.008 3.551 -9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.273 3.868 -9.003 1.00 0.00 H new ATOM 399 N SER A 36 1.418 4.704 -11.067 1.00 0.00 N ATOM 400 CA SER A 36 2.542 5.615 -11.497 1.00 0.00 C ATOM 401 C SER A 36 3.234 5.080 -12.747 1.00 0.00 C ATOM 402 O SER A 36 4.129 5.707 -13.281 1.00 0.00 O ATOM 403 CB SER A 36 3.573 5.860 -10.389 1.00 0.00 C ATOM 404 OG SER A 36 4.049 7.193 -10.494 1.00 0.00 O ATOM 0 H SER A 36 1.683 3.927 -10.462 1.00 0.00 H new ATOM 0 HA SER A 36 2.081 6.576 -11.725 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.122 5.696 -9.410 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.400 5.156 -10.480 1.00 0.00 H new ATOM 0 HG SER A 36 4.708 7.361 -9.789 1.00 0.00 H new ATOM 410 N ASN A 37 2.827 3.941 -13.213 1.00 0.00 N ATOM 411 CA ASN A 37 3.458 3.351 -14.435 1.00 0.00 C ATOM 412 C ASN A 37 4.976 3.611 -14.397 1.00 0.00 C ATOM 413 O ASN A 37 5.633 3.290 -13.427 1.00 0.00 O ATOM 414 CB ASN A 37 2.830 3.990 -15.685 1.00 0.00 C ATOM 415 CG ASN A 37 3.255 3.232 -16.952 1.00 0.00 C ATOM 416 OD1 ASN A 37 3.777 2.038 -16.858 1.00 0.00 O flip ATOM 417 ND2 ASN A 37 3.110 3.742 -18.045 1.00 0.00 N flip ATOM 0 H ASN A 37 2.079 3.382 -12.803 1.00 0.00 H new ATOM 0 HA ASN A 37 3.287 2.275 -14.466 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.744 3.982 -15.597 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.136 5.034 -15.759 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.703 4.674 -18.123 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.395 3.238 -18.885 1.00 0.00 H new ATOM 424 N ASP A 38 5.532 4.220 -15.422 1.00 0.00 N ATOM 425 CA ASP A 38 6.987 4.530 -15.436 1.00 0.00 C ATOM 426 C ASP A 38 7.823 3.353 -14.907 1.00 0.00 C ATOM 427 O ASP A 38 7.315 2.300 -14.581 1.00 0.00 O ATOM 428 CB ASP A 38 7.202 5.803 -14.604 1.00 0.00 C ATOM 429 CG ASP A 38 8.136 5.564 -13.418 1.00 0.00 C ATOM 430 OD1 ASP A 38 7.802 4.746 -12.578 1.00 0.00 O ATOM 431 OD2 ASP A 38 9.169 6.210 -13.373 1.00 0.00 O ATOM 0 H ASP A 38 5.026 4.516 -16.257 1.00 0.00 H new ATOM 0 HA ASP A 38 7.323 4.696 -16.459 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.617 6.585 -15.240 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.240 6.165 -14.240 1.00 0.00 H new ATOM 436 N LYS A 39 9.117 3.536 -14.842 1.00 0.00 N ATOM 437 CA LYS A 39 10.010 2.448 -14.351 1.00 0.00 C ATOM 438 C LYS A 39 11.143 3.062 -13.530 1.00 0.00 C ATOM 439 O LYS A 39 12.269 2.646 -13.656 1.00 0.00 O ATOM 440 CB LYS A 39 10.637 1.736 -15.548 1.00 0.00 C ATOM 441 CG LYS A 39 11.505 2.725 -16.329 1.00 0.00 C ATOM 442 CD LYS A 39 11.062 2.747 -17.793 1.00 0.00 C ATOM 443 CE LYS A 39 12.031 3.612 -18.605 1.00 0.00 C ATOM 444 NZ LYS A 39 13.366 2.955 -18.649 1.00 0.00 N ATOM 0 H LYS A 39 9.594 4.397 -15.110 1.00 0.00 H new ATOM 0 HA LYS A 39 9.430 1.750 -13.747 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.241 0.894 -15.209 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.858 1.330 -16.193 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.418 3.722 -15.897 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.554 2.438 -16.260 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.040 1.733 -18.193 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.050 3.143 -17.872 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.650 3.752 -19.616 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.116 4.602 -18.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.868 3.246 -19.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.919 3.237 -17.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.245 1.922 -18.651 1.00 0.00 H new ATOM 458 N TYR A 40 10.887 4.067 -12.724 1.00 0.00 N ATOM 459 CA TYR A 40 12.006 4.694 -11.966 1.00 0.00 C ATOM 460 C TYR A 40 11.446 5.861 -11.138 1.00 0.00 C ATOM 461 O TYR A 40 10.389 6.365 -11.434 1.00 0.00 O ATOM 462 CB TYR A 40 12.979 5.313 -12.998 1.00 0.00 C ATOM 463 CG TYR A 40 14.090 4.351 -13.507 1.00 0.00 C ATOM 464 CD1 TYR A 40 15.131 3.931 -12.646 1.00 0.00 C ATOM 465 CD2 TYR A 40 14.119 3.902 -14.858 1.00 0.00 C ATOM 466 CE1 TYR A 40 16.150 3.096 -13.111 1.00 0.00 C ATOM 467 CE2 TYR A 40 15.145 3.063 -15.303 1.00 0.00 C ATOM 468 CZ TYR A 40 16.157 2.661 -14.434 1.00 0.00 C ATOM 469 OH TYR A 40 17.167 1.835 -14.886 1.00 0.00 O ATOM 0 H TYR A 40 9.965 4.472 -12.563 1.00 0.00 H new ATOM 0 HA TYR A 40 12.493 3.955 -11.329 1.00 0.00 H new ATOM 0 HB2 TYR A 40 12.403 5.665 -13.854 1.00 0.00 H new ATOM 0 HB3 TYR A 40 13.452 6.187 -12.551 1.00 0.00 H new ATOM 0 HD1 TYR A 40 15.138 4.260 -11.617 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.344 4.211 -15.543 1.00 0.00 H new ATOM 0 HE1 TYR A 40 16.937 2.786 -12.440 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.153 2.724 -16.328 1.00 0.00 H new ATOM 0 HH TYR A 40 17.019 1.625 -15.832 1.00 0.00 H new ATOM 479 N SER A 41 12.177 6.323 -10.140 1.00 0.00 N ATOM 480 CA SER A 41 11.731 7.504 -9.324 1.00 0.00 C ATOM 481 C SER A 41 10.887 7.093 -8.144 1.00 0.00 C ATOM 482 O SER A 41 10.885 7.736 -7.129 1.00 0.00 O ATOM 483 CB SER A 41 10.921 8.504 -10.178 1.00 0.00 C ATOM 484 OG SER A 41 9.577 8.059 -10.287 1.00 0.00 O ATOM 0 H SER A 41 13.072 5.926 -9.856 1.00 0.00 H new ATOM 0 HA SER A 41 12.642 7.979 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.951 9.494 -9.723 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.366 8.595 -11.169 1.00 0.00 H new ATOM 0 HG SER A 41 9.564 7.129 -10.597 1.00 0.00 H new ATOM 490 N SER A 42 10.152 6.065 -8.287 1.00 0.00 N ATOM 491 CA SER A 42 9.258 5.635 -7.165 1.00 0.00 C ATOM 492 C SER A 42 9.737 4.304 -6.539 1.00 0.00 C ATOM 493 O SER A 42 10.291 3.470 -7.222 1.00 0.00 O ATOM 494 CB SER A 42 7.836 5.453 -7.700 1.00 0.00 C ATOM 495 OG SER A 42 7.664 6.240 -8.869 1.00 0.00 O ATOM 0 H SER A 42 10.113 5.485 -9.125 1.00 0.00 H new ATOM 0 HA SER A 42 9.283 6.405 -6.393 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.653 4.403 -7.926 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.111 5.747 -6.941 1.00 0.00 H new ATOM 0 HG SER A 42 6.754 6.122 -9.212 1.00 0.00 H new ATOM 501 N ARG A 43 9.474 4.081 -5.255 1.00 0.00 N ATOM 502 CA ARG A 43 9.867 2.780 -4.590 1.00 0.00 C ATOM 503 C ARG A 43 9.236 2.734 -3.198 1.00 0.00 C ATOM 504 O ARG A 43 8.904 3.753 -2.620 1.00 0.00 O ATOM 505 CB ARG A 43 11.395 2.601 -4.441 1.00 0.00 C ATOM 506 CG ARG A 43 12.043 2.386 -5.810 1.00 0.00 C ATOM 507 CD ARG A 43 13.335 1.583 -5.645 1.00 0.00 C ATOM 508 NE ARG A 43 13.157 0.228 -6.239 1.00 0.00 N ATOM 509 CZ ARG A 43 12.611 -0.724 -5.536 1.00 0.00 C ATOM 510 NH1 ARG A 43 11.317 -0.752 -5.370 1.00 0.00 N ATOM 511 NH2 ARG A 43 13.359 -1.647 -4.996 1.00 0.00 N ATOM 0 H ARG A 43 9.004 4.747 -4.642 1.00 0.00 H new ATOM 0 HA ARG A 43 9.510 1.974 -5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.826 3.480 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.606 1.750 -3.794 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.356 1.857 -6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.257 3.347 -6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.162 2.100 -6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.591 1.498 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 43 13.462 0.046 -7.195 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.733 -0.029 -5.790 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.889 -1.497 -4.820 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.371 -1.623 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.932 -2.392 -4.446 1.00 0.00 H new ATOM 525 N VAL A 44 9.058 1.560 -2.655 1.00 0.00 N ATOM 526 CA VAL A 44 8.436 1.448 -1.304 1.00 0.00 C ATOM 527 C VAL A 44 9.524 1.285 -0.236 1.00 0.00 C ATOM 528 O VAL A 44 10.675 1.038 -0.535 1.00 0.00 O ATOM 529 CB VAL A 44 7.491 0.231 -1.279 1.00 0.00 C ATOM 530 CG1 VAL A 44 8.304 -1.055 -1.101 1.00 0.00 C ATOM 531 CG2 VAL A 44 6.508 0.377 -0.115 1.00 0.00 C ATOM 0 H VAL A 44 9.316 0.674 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 44 7.869 2.354 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 44 6.943 0.181 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.630 -1.912 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.004 -1.160 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.856 -1.009 -0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.838 -0.483 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.060 0.429 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.925 1.289 -0.244 1.00 0.00 H new ATOM 541 N VAL A 45 9.160 1.427 1.012 1.00 0.00 N ATOM 542 CA VAL A 45 10.161 1.283 2.105 1.00 0.00 C ATOM 543 C VAL A 45 9.653 0.264 3.129 1.00 0.00 C ATOM 544 O VAL A 45 10.231 -0.790 3.307 1.00 0.00 O ATOM 545 CB VAL A 45 10.366 2.636 2.789 1.00 0.00 C ATOM 546 CG1 VAL A 45 11.650 2.599 3.620 1.00 0.00 C ATOM 547 CG2 VAL A 45 10.482 3.729 1.727 1.00 0.00 C ATOM 0 H VAL A 45 8.210 1.637 1.320 1.00 0.00 H new ATOM 0 HA VAL A 45 11.108 0.939 1.689 1.00 0.00 H new ATOM 0 HB VAL A 45 9.517 2.846 3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.796 3.563 4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.571 1.818 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.499 2.389 2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.628 4.694 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.332 3.517 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.569 3.757 1.132 1.00 0.00 H new ATOM 557 N ARG A 46 8.573 0.565 3.804 1.00 0.00 N ATOM 558 CA ARG A 46 8.032 -0.394 4.814 1.00 0.00 C ATOM 559 C ARG A 46 6.533 -0.151 5.012 1.00 0.00 C ATOM 560 O ARG A 46 5.932 0.676 4.357 1.00 0.00 O ATOM 561 CB ARG A 46 8.753 -0.195 6.149 1.00 0.00 C ATOM 562 CG ARG A 46 10.260 -0.074 5.913 1.00 0.00 C ATOM 563 CD ARG A 46 10.983 -0.014 7.261 1.00 0.00 C ATOM 564 NE ARG A 46 10.961 1.385 7.775 1.00 0.00 N ATOM 565 CZ ARG A 46 11.110 1.615 9.051 1.00 0.00 C ATOM 566 NH1 ARG A 46 12.303 1.624 9.578 1.00 0.00 N ATOM 567 NH2 ARG A 46 10.064 1.831 9.801 1.00 0.00 N ATOM 0 H ARG A 46 8.044 1.431 3.700 1.00 0.00 H new ATOM 0 HA ARG A 46 8.191 -1.412 4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.380 0.702 6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.546 -1.034 6.813 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.618 -0.925 5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.477 0.822 5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.501 -0.682 7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.012 -0.356 7.149 1.00 0.00 H new ATOM 0 HE ARG A 46 10.829 2.163 7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.120 1.451 8.993 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.419 1.804 10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.131 1.820 9.390 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.180 2.011 10.798 1.00 0.00 H new ATOM 581 N VAL A 47 5.933 -0.868 5.925 1.00 0.00 N ATOM 582 CA VAL A 47 4.474 -0.690 6.190 1.00 0.00 C ATOM 583 C VAL A 47 4.289 -0.270 7.653 1.00 0.00 C ATOM 584 O VAL A 47 4.938 -0.789 8.540 1.00 0.00 O ATOM 585 CB VAL A 47 3.737 -2.010 5.911 1.00 0.00 C ATOM 586 CG1 VAL A 47 2.414 -2.047 6.680 1.00 0.00 C ATOM 587 CG2 VAL A 47 3.443 -2.123 4.411 1.00 0.00 C ATOM 0 H VAL A 47 6.393 -1.573 6.502 1.00 0.00 H new ATOM 0 HA VAL A 47 4.062 0.080 5.539 1.00 0.00 H new ATOM 0 HB VAL A 47 4.366 -2.840 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.900 -2.986 6.475 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.612 -1.967 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.786 -1.214 6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.920 -3.059 4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.819 -1.286 4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.380 -2.105 3.854 1.00 0.00 H new ATOM 597 N ILE A 48 3.423 0.672 7.914 1.00 0.00 N ATOM 598 CA ILE A 48 3.223 1.120 9.324 1.00 0.00 C ATOM 599 C ILE A 48 2.301 0.143 10.058 1.00 0.00 C ATOM 600 O ILE A 48 2.438 -0.072 11.245 1.00 0.00 O ATOM 601 CB ILE A 48 2.599 2.517 9.334 1.00 0.00 C ATOM 602 CG1 ILE A 48 3.558 3.507 8.670 1.00 0.00 C ATOM 603 CG2 ILE A 48 2.342 2.949 10.779 1.00 0.00 C ATOM 604 CD1 ILE A 48 2.928 4.902 8.665 1.00 0.00 C ATOM 0 H ILE A 48 2.849 1.148 7.218 1.00 0.00 H new ATOM 0 HA ILE A 48 4.188 1.148 9.829 1.00 0.00 H new ATOM 0 HB ILE A 48 1.657 2.499 8.786 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.507 3.527 9.207 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.775 3.191 7.650 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.897 3.944 10.788 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.661 2.243 11.254 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.285 2.968 11.326 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.611 5.608 8.192 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.991 4.876 8.109 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.733 5.217 9.690 1.00 0.00 H new ATOM 616 N SER A 49 1.372 -0.449 9.354 1.00 0.00 N ATOM 617 CA SER A 49 0.430 -1.425 9.995 1.00 0.00 C ATOM 618 C SER A 49 -0.858 -1.488 9.176 1.00 0.00 C ATOM 619 O SER A 49 -1.039 -0.750 8.228 1.00 0.00 O ATOM 620 CB SER A 49 0.090 -1.002 11.438 1.00 0.00 C ATOM 621 OG SER A 49 -1.054 -1.719 11.882 1.00 0.00 O ATOM 0 H SER A 49 1.221 -0.300 8.356 1.00 0.00 H new ATOM 0 HA SER A 49 0.912 -2.402 10.025 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.936 -1.201 12.096 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.100 0.070 11.479 1.00 0.00 H new ATOM 0 HG SER A 49 -1.271 -1.453 12.800 1.00 0.00 H new ATOM 627 N ALA A 50 -1.755 -2.366 9.530 1.00 0.00 N ATOM 628 CA ALA A 50 -3.028 -2.473 8.767 1.00 0.00 C ATOM 629 C ALA A 50 -4.204 -2.551 9.744 1.00 0.00 C ATOM 630 O ALA A 50 -4.347 -3.503 10.484 1.00 0.00 O ATOM 631 CB ALA A 50 -3.000 -3.738 7.908 1.00 0.00 C ATOM 0 H ALA A 50 -1.661 -3.013 10.313 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.143 -1.598 8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.932 -3.818 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.162 -3.687 7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.886 -4.611 8.550 1.00 0.00 H new ATOM 637 N LYS A 51 -5.054 -1.561 9.741 1.00 0.00 N ATOM 638 CA LYS A 51 -6.231 -1.591 10.664 1.00 0.00 C ATOM 639 C LYS A 51 -7.504 -1.768 9.834 1.00 0.00 C ATOM 640 O LYS A 51 -7.592 -1.292 8.720 1.00 0.00 O ATOM 641 CB LYS A 51 -6.318 -0.285 11.466 1.00 0.00 C ATOM 642 CG LYS A 51 -4.962 0.013 12.111 1.00 0.00 C ATOM 643 CD LYS A 51 -5.165 0.336 13.592 1.00 0.00 C ATOM 644 CE LYS A 51 -4.624 1.737 13.889 1.00 0.00 C ATOM 645 NZ LYS A 51 -4.786 2.037 15.339 1.00 0.00 N ATOM 0 H LYS A 51 -4.988 -0.736 9.145 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.119 -2.420 11.363 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.609 0.537 10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.087 -0.369 12.234 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.298 -0.845 12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.483 0.852 11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.224 0.283 13.845 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.652 -0.402 14.209 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.572 1.799 13.610 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.156 2.478 13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.418 2.989 15.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.794 1.995 15.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.259 1.337 15.899 1.00 0.00 H new ATOM 659 N ARG A 52 -8.483 -2.453 10.352 1.00 0.00 N ATOM 660 CA ARG A 52 -9.730 -2.660 9.569 1.00 0.00 C ATOM 661 C ARG A 52 -10.952 -2.342 10.422 1.00 0.00 C ATOM 662 O ARG A 52 -11.035 -2.688 11.583 1.00 0.00 O ATOM 663 CB ARG A 52 -9.807 -4.122 9.111 1.00 0.00 C ATOM 664 CG ARG A 52 -9.743 -5.038 10.335 1.00 0.00 C ATOM 665 CD ARG A 52 -11.155 -5.515 10.683 1.00 0.00 C ATOM 666 NE ARG A 52 -11.085 -6.875 11.285 1.00 0.00 N ATOM 667 CZ ARG A 52 -12.136 -7.647 11.270 1.00 0.00 C ATOM 668 NH1 ARG A 52 -12.347 -8.444 10.257 1.00 0.00 N ATOM 669 NH2 ARG A 52 -12.977 -7.621 12.266 1.00 0.00 N ATOM 0 H ARG A 52 -8.474 -2.877 11.280 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.715 -1.996 8.705 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.732 -4.295 8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.985 -4.346 8.431 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.098 -5.893 10.131 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.308 -4.505 11.180 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.623 -4.821 11.380 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.775 -5.534 9.787 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.217 -7.202 11.708 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.690 -8.463 9.477 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.169 -9.048 10.246 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.813 -6.997 13.056 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.799 -8.224 12.255 1.00 0.00 H new ATOM 683 N GLN A 53 -11.911 -1.704 9.824 1.00 0.00 N ATOM 684 CA GLN A 53 -13.167 -1.365 10.545 1.00 0.00 C ATOM 685 C GLN A 53 -14.327 -1.976 9.763 1.00 0.00 C ATOM 686 O GLN A 53 -14.155 -2.410 8.639 1.00 0.00 O ATOM 687 CB GLN A 53 -13.331 0.155 10.618 1.00 0.00 C ATOM 688 CG GLN A 53 -13.370 0.735 9.204 1.00 0.00 C ATOM 689 CD GLN A 53 -12.324 1.845 9.080 1.00 0.00 C ATOM 690 OE1 GLN A 53 -11.139 1.579 9.054 1.00 0.00 O ATOM 691 NE2 GLN A 53 -12.716 3.089 9.003 1.00 0.00 N ATOM 0 H GLN A 53 -11.880 -1.397 8.852 1.00 0.00 H new ATOM 0 HA GLN A 53 -13.143 -1.756 11.562 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.248 0.407 11.151 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.506 0.593 11.179 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.173 -0.049 8.472 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -14.363 1.130 8.989 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.711 3.312 9.025 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.027 3.837 8.921 1.00 0.00 H new ATOM 700 N LEU A 54 -15.502 -2.026 10.323 1.00 0.00 N ATOM 701 CA LEU A 54 -16.625 -2.627 9.557 1.00 0.00 C ATOM 702 C LEU A 54 -17.916 -1.820 9.749 1.00 0.00 C ATOM 703 O LEU A 54 -18.080 -1.111 10.721 1.00 0.00 O ATOM 704 CB LEU A 54 -16.828 -4.095 9.979 1.00 0.00 C ATOM 705 CG LEU A 54 -17.503 -4.210 11.358 1.00 0.00 C ATOM 706 CD1 LEU A 54 -16.838 -3.266 12.359 1.00 0.00 C ATOM 707 CD2 LEU A 54 -18.993 -3.879 11.244 1.00 0.00 C ATOM 0 H LEU A 54 -15.730 -1.685 11.257 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.373 -2.601 8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -17.437 -4.606 9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.863 -4.602 10.004 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.390 -5.234 11.713 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -17.327 -3.360 13.328 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.784 -3.525 12.458 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.928 -2.239 12.005 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -19.461 -3.963 12.225 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -19.112 -2.862 10.872 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -19.469 -4.576 10.554 1.00 0.00 H new ATOM 719 N VAL A 55 -18.834 -1.925 8.814 1.00 0.00 N ATOM 720 CA VAL A 55 -20.114 -1.181 8.902 1.00 0.00 C ATOM 721 C VAL A 55 -20.961 -1.718 7.756 1.00 0.00 C ATOM 722 O VAL A 55 -21.066 -1.070 6.734 1.00 0.00 O ATOM 723 CB VAL A 55 -19.862 0.307 8.669 1.00 0.00 C ATOM 724 CG1 VAL A 55 -19.362 0.960 9.959 1.00 0.00 C ATOM 725 CG2 VAL A 55 -18.811 0.462 7.571 1.00 0.00 C ATOM 0 H VAL A 55 -18.739 -2.508 7.982 1.00 0.00 H new ATOM 0 HA VAL A 55 -20.590 -1.302 9.875 1.00 0.00 H new ATOM 0 HB VAL A 55 -20.789 0.794 8.367 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -19.185 2.021 9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -20.112 0.841 10.741 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -18.433 0.483 10.272 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -18.622 1.521 7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -17.886 -0.025 7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.174 0.001 6.652 1.00 0.00 H new ATOM 735 N SER A 56 -21.492 -2.927 7.878 1.00 0.00 N ATOM 736 CA SER A 56 -22.260 -3.543 6.760 1.00 0.00 C ATOM 737 C SER A 56 -21.282 -4.425 5.985 1.00 0.00 C ATOM 738 O SER A 56 -21.595 -5.525 5.575 1.00 0.00 O ATOM 739 CB SER A 56 -22.821 -2.468 5.852 1.00 0.00 C ATOM 740 OG SER A 56 -24.001 -2.934 5.215 1.00 0.00 O ATOM 0 H SER A 56 -21.418 -3.506 8.715 1.00 0.00 H new ATOM 0 HA SER A 56 -23.099 -4.126 7.140 1.00 0.00 H new ATOM 0 HB2 SER A 56 -23.041 -1.571 6.431 1.00 0.00 H new ATOM 0 HB3 SER A 56 -22.079 -2.190 5.103 1.00 0.00 H new ATOM 0 HG SER A 56 -23.797 -3.181 4.289 1.00 0.00 H new ATOM 746 N GLY A 57 -20.076 -3.943 5.821 1.00 0.00 N ATOM 747 CA GLY A 57 -19.026 -4.722 5.120 1.00 0.00 C ATOM 748 C GLY A 57 -17.700 -4.445 5.848 1.00 0.00 C ATOM 749 O GLY A 57 -17.709 -4.103 7.019 1.00 0.00 O ATOM 0 H GLY A 57 -19.776 -3.026 6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.260 -5.786 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -18.960 -4.426 4.073 1.00 0.00 H new ATOM 753 N ILE A 58 -16.561 -4.565 5.197 1.00 0.00 N ATOM 754 CA ILE A 58 -15.288 -4.286 5.926 1.00 0.00 C ATOM 755 C ILE A 58 -14.449 -3.274 5.145 1.00 0.00 C ATOM 756 O ILE A 58 -14.640 -3.071 3.966 1.00 0.00 O ATOM 757 CB ILE A 58 -14.480 -5.583 6.105 1.00 0.00 C ATOM 758 CG1 ILE A 58 -15.401 -6.798 5.952 1.00 0.00 C ATOM 759 CG2 ILE A 58 -13.847 -5.599 7.498 1.00 0.00 C ATOM 760 CD1 ILE A 58 -14.581 -8.082 6.100 1.00 0.00 C ATOM 0 H ILE A 58 -16.463 -4.837 4.219 1.00 0.00 H new ATOM 0 HA ILE A 58 -15.534 -3.877 6.906 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.700 -5.626 5.345 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -16.188 -6.768 6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -15.890 -6.777 4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.274 -6.517 7.627 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -13.185 -4.740 7.607 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -14.631 -5.551 8.254 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -15.236 -8.947 5.991 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.810 -8.112 5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -14.113 -8.103 7.084 1.00 0.00 H new ATOM 772 N LYS A 59 -13.517 -2.637 5.800 1.00 0.00 N ATOM 773 CA LYS A 59 -12.650 -1.642 5.105 1.00 0.00 C ATOM 774 C LYS A 59 -11.265 -1.667 5.760 1.00 0.00 C ATOM 775 O LYS A 59 -11.137 -1.506 6.954 1.00 0.00 O ATOM 776 CB LYS A 59 -13.259 -0.245 5.250 1.00 0.00 C ATOM 777 CG LYS A 59 -12.375 0.776 4.532 1.00 0.00 C ATOM 778 CD LYS A 59 -12.488 2.130 5.235 1.00 0.00 C ATOM 779 CE LYS A 59 -13.548 2.981 4.531 1.00 0.00 C ATOM 780 NZ LYS A 59 -14.295 3.779 5.543 1.00 0.00 N ATOM 0 H LYS A 59 -13.317 -2.764 6.792 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.569 -1.888 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.265 -0.230 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.350 0.015 6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.338 0.439 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.680 0.868 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.756 1.987 6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.526 2.642 5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.075 3.644 3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.235 2.341 3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.016 4.358 5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.758 3.138 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.634 4.400 6.052 1.00 0.00 H new ATOM 794 N TYR A 60 -10.225 -1.877 4.999 1.00 0.00 N ATOM 795 CA TYR A 60 -8.869 -1.918 5.609 1.00 0.00 C ATOM 796 C TYR A 60 -8.176 -0.573 5.418 1.00 0.00 C ATOM 797 O TYR A 60 -8.565 0.232 4.594 1.00 0.00 O ATOM 798 CB TYR A 60 -8.038 -3.019 4.943 1.00 0.00 C ATOM 799 CG TYR A 60 -8.866 -4.279 4.810 1.00 0.00 C ATOM 800 CD1 TYR A 60 -9.923 -4.521 5.696 1.00 0.00 C ATOM 801 CD2 TYR A 60 -8.575 -5.206 3.799 1.00 0.00 C ATOM 802 CE1 TYR A 60 -10.689 -5.689 5.570 1.00 0.00 C ATOM 803 CE2 TYR A 60 -9.340 -6.373 3.674 1.00 0.00 C ATOM 804 CZ TYR A 60 -10.398 -6.614 4.561 1.00 0.00 C ATOM 805 OH TYR A 60 -11.151 -7.762 4.441 1.00 0.00 O ATOM 0 H TYR A 60 -10.256 -2.021 3.990 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.963 -2.127 6.675 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.702 -2.689 3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.145 -3.221 5.534 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.148 -3.809 6.476 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.760 -5.020 3.115 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.505 -5.875 6.253 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.115 -7.086 2.895 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.817 -8.295 3.689 1.00 0.00 H new ATOM 815 N ILE A 61 -7.151 -0.327 6.178 1.00 0.00 N ATOM 816 CA ILE A 61 -6.419 0.963 6.050 1.00 0.00 C ATOM 817 C ILE A 61 -4.936 0.733 6.356 1.00 0.00 C ATOM 818 O ILE A 61 -4.566 0.359 7.452 1.00 0.00 O ATOM 819 CB ILE A 61 -6.998 1.984 7.039 1.00 0.00 C ATOM 820 CG1 ILE A 61 -7.114 1.349 8.426 1.00 0.00 C ATOM 821 CG2 ILE A 61 -8.388 2.430 6.573 1.00 0.00 C ATOM 822 CD1 ILE A 61 -7.024 2.442 9.494 1.00 0.00 C ATOM 0 H ILE A 61 -6.786 -0.964 6.885 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.527 1.346 5.035 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.335 2.848 7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.060 0.815 8.516 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.319 0.617 8.571 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -8.793 3.155 7.279 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.312 2.888 5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.049 1.565 6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.106 1.992 10.483 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.067 2.957 9.408 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.834 3.157 9.352 1.00 0.00 H new ATOM 834 N LEU A 62 -4.087 0.954 5.390 1.00 0.00 N ATOM 835 CA LEU A 62 -2.632 0.754 5.617 1.00 0.00 C ATOM 836 C LEU A 62 -1.895 2.065 5.344 1.00 0.00 C ATOM 837 O LEU A 62 -2.186 2.761 4.388 1.00 0.00 O ATOM 838 CB LEU A 62 -2.114 -0.365 4.689 1.00 0.00 C ATOM 839 CG LEU A 62 -1.887 0.147 3.267 1.00 0.00 C ATOM 840 CD1 LEU A 62 -0.851 -0.737 2.571 1.00 0.00 C ATOM 841 CD2 LEU A 62 -3.206 0.076 2.502 1.00 0.00 C ATOM 0 H LEU A 62 -4.341 1.265 4.452 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.453 0.458 6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.181 -0.766 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.831 -1.186 4.671 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.528 1.176 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.687 -0.375 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.087 -0.703 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.214 -1.764 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.057 0.439 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.554 -0.957 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.951 0.695 3.003 1.00 0.00 H new ATOM 853 N GLN A 63 -0.945 2.398 6.178 1.00 0.00 N ATOM 854 CA GLN A 63 -0.167 3.657 5.990 1.00 0.00 C ATOM 855 C GLN A 63 1.263 3.264 5.611 1.00 0.00 C ATOM 856 O GLN A 63 2.045 2.855 6.446 1.00 0.00 O ATOM 857 CB GLN A 63 -0.168 4.458 7.306 1.00 0.00 C ATOM 858 CG GLN A 63 -1.449 4.155 8.089 1.00 0.00 C ATOM 859 CD GLN A 63 -1.575 5.126 9.265 1.00 0.00 C ATOM 860 OE1 GLN A 63 -0.641 5.836 9.584 1.00 0.00 O ATOM 861 NE2 GLN A 63 -2.698 5.186 9.930 1.00 0.00 N ATOM 0 H GLN A 63 -0.672 1.845 6.990 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.607 4.277 5.208 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.706 4.197 7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.103 5.525 7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.317 4.246 7.435 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.430 3.128 8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.482 4.590 9.662 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.791 5.828 10.717 1.00 0.00 H new ATOM 870 N VAL A 64 1.595 3.337 4.350 1.00 0.00 N ATOM 871 CA VAL A 64 2.940 2.920 3.903 1.00 0.00 C ATOM 872 C VAL A 64 3.908 4.109 3.855 1.00 0.00 C ATOM 873 O VAL A 64 3.515 5.233 3.664 1.00 0.00 O ATOM 874 CB VAL A 64 2.776 2.360 2.488 1.00 0.00 C ATOM 875 CG1 VAL A 64 1.501 1.514 2.407 1.00 0.00 C ATOM 876 CG2 VAL A 64 2.680 3.521 1.488 1.00 0.00 C ATOM 0 H VAL A 64 0.980 3.672 3.609 1.00 0.00 H new ATOM 0 HA VAL A 64 3.350 2.186 4.596 1.00 0.00 H new ATOM 0 HB VAL A 64 3.637 1.737 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.390 1.119 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.567 0.688 3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.638 2.133 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.563 3.124 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.820 4.144 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.589 4.121 1.539 1.00 0.00 H new ATOM 886 N GLU A 65 5.179 3.850 3.957 1.00 0.00 N ATOM 887 CA GLU A 65 6.175 4.945 3.843 1.00 0.00 C ATOM 888 C GLU A 65 6.896 4.714 2.516 1.00 0.00 C ATOM 889 O GLU A 65 7.733 3.841 2.406 1.00 0.00 O ATOM 890 CB GLU A 65 7.175 4.874 5.000 1.00 0.00 C ATOM 891 CG GLU A 65 8.267 5.926 4.797 1.00 0.00 C ATOM 892 CD GLU A 65 7.642 7.322 4.813 1.00 0.00 C ATOM 893 OE1 GLU A 65 6.997 7.650 5.796 1.00 0.00 O ATOM 894 OE2 GLU A 65 7.819 8.039 3.843 1.00 0.00 O ATOM 0 H GLU A 65 5.572 2.922 4.115 1.00 0.00 H new ATOM 0 HA GLU A 65 5.699 5.925 3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.664 5.044 5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.618 3.880 5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.017 5.843 5.584 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.778 5.756 3.850 1.00 0.00 H new ATOM 901 N ILE A 66 6.551 5.448 1.495 1.00 0.00 N ATOM 902 CA ILE A 66 7.202 5.205 0.175 1.00 0.00 C ATOM 903 C ILE A 66 8.113 6.374 -0.195 1.00 0.00 C ATOM 904 O ILE A 66 7.858 7.506 0.161 1.00 0.00 O ATOM 905 CB ILE A 66 6.124 5.015 -0.904 1.00 0.00 C ATOM 906 CG1 ILE A 66 5.013 6.058 -0.729 1.00 0.00 C ATOM 907 CG2 ILE A 66 5.523 3.612 -0.775 1.00 0.00 C ATOM 908 CD1 ILE A 66 3.878 5.770 -1.718 1.00 0.00 C ATOM 0 H ILE A 66 5.857 6.195 1.514 1.00 0.00 H new ATOM 0 HA ILE A 66 7.809 4.302 0.242 1.00 0.00 H new ATOM 0 HB ILE A 66 6.578 5.138 -1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.634 6.033 0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 66 5.410 7.059 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.758 3.472 -1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.307 2.867 -0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.076 3.497 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.089 6.512 -1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.262 5.818 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.474 4.775 -1.529 1.00 0.00 H new ATOM 920 N GLY A 67 9.179 6.111 -0.909 1.00 0.00 N ATOM 921 CA GLY A 67 10.103 7.211 -1.293 1.00 0.00 C ATOM 922 C GLY A 67 10.456 7.097 -2.781 1.00 0.00 C ATOM 923 O GLY A 67 9.966 6.223 -3.484 1.00 0.00 O ATOM 0 H GLY A 67 9.445 5.184 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.637 8.176 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.010 7.164 -0.690 1.00 0.00 H new ATOM 927 N ARG A 68 11.287 7.984 -3.274 1.00 0.00 N ATOM 928 CA ARG A 68 11.651 7.937 -4.713 1.00 0.00 C ATOM 929 C ARG A 68 13.064 7.358 -4.871 1.00 0.00 C ATOM 930 O ARG A 68 13.813 7.310 -3.919 1.00 0.00 O ATOM 931 CB ARG A 68 11.604 9.359 -5.279 1.00 0.00 C ATOM 932 CG ARG A 68 10.186 9.914 -5.125 1.00 0.00 C ATOM 933 CD ARG A 68 9.723 10.520 -6.453 1.00 0.00 C ATOM 934 NE ARG A 68 8.778 11.641 -6.182 1.00 0.00 N ATOM 935 CZ ARG A 68 7.528 11.542 -6.544 1.00 0.00 C ATOM 936 NH1 ARG A 68 7.158 11.940 -7.730 1.00 0.00 N ATOM 937 NH2 ARG A 68 6.649 11.042 -5.718 1.00 0.00 N ATOM 0 H ARG A 68 11.724 8.734 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 68 10.949 7.302 -5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.316 9.996 -4.754 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.894 9.355 -6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.505 9.120 -4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.164 10.671 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.581 10.882 -7.019 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.237 9.759 -7.063 1.00 0.00 H new ATOM 0 HE ARG A 68 9.108 12.485 -5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.846 12.329 -8.375 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.181 11.862 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.940 10.730 -4.792 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.672 10.964 -5.999 1.00 0.00 H new ATOM 951 N THR A 69 13.451 6.913 -6.054 1.00 0.00 N ATOM 952 CA THR A 69 14.835 6.344 -6.190 1.00 0.00 C ATOM 953 C THR A 69 15.301 6.315 -7.664 1.00 0.00 C ATOM 954 O THR A 69 14.574 6.697 -8.570 1.00 0.00 O ATOM 955 CB THR A 69 14.875 4.909 -5.631 1.00 0.00 C ATOM 956 OG1 THR A 69 14.915 3.979 -6.703 1.00 0.00 O ATOM 957 CG2 THR A 69 13.638 4.634 -4.773 1.00 0.00 C ATOM 0 H THR A 69 12.887 6.919 -6.904 1.00 0.00 H new ATOM 0 HA THR A 69 15.506 6.990 -5.625 1.00 0.00 H new ATOM 0 HB THR A 69 15.767 4.802 -5.014 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.672 3.369 -6.579 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.683 3.616 -4.386 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.609 5.337 -3.941 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.740 4.753 -5.380 1.00 0.00 H new ATOM 965 N THR A 70 16.520 5.847 -7.902 1.00 0.00 N ATOM 966 CA THR A 70 17.061 5.781 -9.299 1.00 0.00 C ATOM 967 C THR A 70 16.993 4.343 -9.831 1.00 0.00 C ATOM 968 O THR A 70 17.810 3.937 -10.633 1.00 0.00 O ATOM 969 CB THR A 70 18.523 6.258 -9.305 1.00 0.00 C ATOM 970 OG1 THR A 70 18.995 6.304 -10.644 1.00 0.00 O ATOM 971 CG2 THR A 70 19.403 5.306 -8.490 1.00 0.00 C ATOM 0 H THR A 70 17.157 5.509 -7.181 1.00 0.00 H new ATOM 0 HA THR A 70 16.459 6.424 -9.940 1.00 0.00 H new ATOM 0 HB THR A 70 18.571 7.250 -8.857 1.00 0.00 H new ATOM 0 HG1 THR A 70 18.783 5.460 -11.095 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.434 5.660 -8.506 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.047 5.273 -7.460 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.356 4.307 -8.923 1.00 0.00 H new ATOM 1123 N GLU A 82 19.395 3.203 -4.709 1.00 0.00 N ATOM 1124 CA GLU A 82 19.154 4.159 -3.588 1.00 0.00 C ATOM 1125 C GLU A 82 18.040 5.142 -3.969 1.00 0.00 C ATOM 1126 O GLU A 82 17.745 5.351 -5.140 1.00 0.00 O ATOM 1127 CB GLU A 82 20.438 4.952 -3.292 1.00 0.00 C ATOM 1128 CG GLU A 82 21.671 4.123 -3.663 1.00 0.00 C ATOM 1129 CD GLU A 82 22.921 5.000 -3.565 1.00 0.00 C ATOM 1130 OE1 GLU A 82 23.120 5.816 -4.450 1.00 0.00 O ATOM 1131 OE2 GLU A 82 23.660 4.841 -2.606 1.00 0.00 O ATOM 0 HA GLU A 82 18.858 3.594 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.436 5.885 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 82 20.474 5.218 -2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 82 21.761 3.266 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 82 21.568 3.730 -4.674 1.00 0.00 H new ATOM 1138 N PHE A 83 17.427 5.760 -2.985 1.00 0.00 N ATOM 1139 CA PHE A 83 16.330 6.746 -3.282 1.00 0.00 C ATOM 1140 C PHE A 83 16.885 7.928 -4.088 1.00 0.00 C ATOM 1141 O PHE A 83 16.147 8.794 -4.514 1.00 0.00 O ATOM 1142 CB PHE A 83 15.665 7.285 -1.998 1.00 0.00 C ATOM 1143 CG PHE A 83 14.987 6.144 -1.259 1.00 0.00 C ATOM 1144 CD1 PHE A 83 15.723 5.303 -0.415 1.00 0.00 C ATOM 1145 CD2 PHE A 83 13.606 5.926 -1.424 1.00 0.00 C ATOM 1146 CE1 PHE A 83 15.088 4.253 0.261 1.00 0.00 C ATOM 1147 CE2 PHE A 83 12.974 4.876 -0.747 1.00 0.00 C ATOM 1148 CZ PHE A 83 13.714 4.039 0.096 1.00 0.00 C ATOM 0 H PHE A 83 17.635 5.627 -1.995 1.00 0.00 H new ATOM 0 HA PHE A 83 15.574 6.214 -3.860 1.00 0.00 H new ATOM 0 HB2 PHE A 83 16.413 7.753 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 83 14.935 8.054 -2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 83 16.783 5.464 -0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.033 6.570 -2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 83 15.660 3.607 0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.914 4.712 -0.875 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.226 3.229 0.618 1.00 0.00 H new ATOM 1158 N HIS A 84 18.169 7.969 -4.306 1.00 0.00 N ATOM 1159 CA HIS A 84 18.775 9.078 -5.085 1.00 0.00 C ATOM 1160 C HIS A 84 20.290 9.085 -4.861 1.00 0.00 C ATOM 1161 O HIS A 84 20.853 8.142 -4.341 1.00 0.00 O ATOM 1162 CB HIS A 84 18.185 10.406 -4.616 1.00 0.00 C ATOM 1163 CG HIS A 84 18.143 10.434 -3.114 1.00 0.00 C ATOM 1164 ND1 HIS A 84 19.066 10.066 -2.165 1.00 0.00 N flip ATOM 1165 CD2 HIS A 84 17.037 10.885 -2.411 1.00 0.00 C flip ATOM 1166 CE1 HIS A 84 18.541 10.284 -0.893 1.00 0.00 C flip ATOM 1167 NE2 HIS A 84 17.318 10.779 -1.099 1.00 0.00 N flip ATOM 0 H HIS A 84 18.832 7.270 -3.972 1.00 0.00 H new ATOM 0 HA HIS A 84 18.564 8.940 -6.145 1.00 0.00 H new ATOM 0 HB2 HIS A 84 18.786 11.235 -4.989 1.00 0.00 H new ATOM 0 HB3 HIS A 84 17.181 10.533 -5.021 1.00 0.00 H new ATOM 0 HD2 HIS A 84 16.117 11.254 -2.838 1.00 0.00 H new ATOM 0 HE1 HIS A 84 19.020 10.094 0.056 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.675 11.044 -0.353 1.00 0.00 H new ATOM 1258 N LYS A 91 14.282 12.748 0.113 1.00 0.00 N ATOM 1259 CA LYS A 91 12.931 12.973 -0.457 1.00 0.00 C ATOM 1260 C LYS A 91 12.099 11.700 -0.317 1.00 0.00 C ATOM 1261 O LYS A 91 12.148 10.815 -1.149 1.00 0.00 O ATOM 1262 CB LYS A 91 13.054 13.349 -1.934 1.00 0.00 C ATOM 1263 CG LYS A 91 13.413 14.832 -2.047 1.00 0.00 C ATOM 1264 CD LYS A 91 13.294 15.283 -3.502 1.00 0.00 C ATOM 1265 CE LYS A 91 13.509 16.795 -3.582 1.00 0.00 C ATOM 1266 NZ LYS A 91 12.379 17.495 -2.908 1.00 0.00 N ATOM 0 HA LYS A 91 12.441 13.785 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.820 12.740 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.116 13.149 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.750 15.425 -1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 91 14.428 14.998 -1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.031 14.766 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.312 15.022 -3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.452 17.064 -3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.575 17.109 -4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.301 18.464 -3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.493 16.982 -3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.553 17.528 -1.883 1.00 0.00 H new ATOM 1280 N TYR A 92 11.313 11.619 0.715 1.00 0.00 N ATOM 1281 CA TYR A 92 10.440 10.410 0.900 1.00 0.00 C ATOM 1282 C TYR A 92 9.006 10.890 1.115 1.00 0.00 C ATOM 1283 O TYR A 92 8.730 12.070 1.035 1.00 0.00 O ATOM 1284 CB TYR A 92 10.899 9.537 2.090 1.00 0.00 C ATOM 1285 CG TYR A 92 12.376 9.173 1.904 1.00 0.00 C ATOM 1286 CD1 TYR A 92 13.385 10.137 2.113 1.00 0.00 C ATOM 1287 CD2 TYR A 92 12.745 7.874 1.513 1.00 0.00 C ATOM 1288 CE1 TYR A 92 14.733 9.797 1.932 1.00 0.00 C ATOM 1289 CE2 TYR A 92 14.093 7.544 1.333 1.00 0.00 C ATOM 1290 CZ TYR A 92 15.084 8.503 1.543 1.00 0.00 C ATOM 1291 OH TYR A 92 16.413 8.171 1.366 1.00 0.00 O ATOM 0 H TYR A 92 11.230 12.330 1.442 1.00 0.00 H new ATOM 0 HA TYR A 92 10.509 9.784 0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.760 10.076 3.027 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.293 8.633 2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.118 11.140 2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.983 7.126 1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.502 10.538 2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.367 6.544 1.031 1.00 0.00 H new ATOM 0 HH TYR A 92 16.477 7.346 0.841 1.00 0.00 H new ATOM 1301 N THR A 93 8.082 10.006 1.369 1.00 0.00 N ATOM 1302 CA THR A 93 6.681 10.470 1.560 1.00 0.00 C ATOM 1303 C THR A 93 5.820 9.366 2.177 1.00 0.00 C ATOM 1304 O THR A 93 6.059 8.185 1.993 1.00 0.00 O ATOM 1305 CB THR A 93 6.098 10.868 0.201 1.00 0.00 C ATOM 1306 OG1 THR A 93 7.156 11.048 -0.729 1.00 0.00 O ATOM 1307 CG2 THR A 93 5.312 12.173 0.341 1.00 0.00 C ATOM 0 H THR A 93 8.232 9.000 1.451 1.00 0.00 H new ATOM 0 HA THR A 93 6.683 11.325 2.237 1.00 0.00 H new ATOM 0 HB THR A 93 5.430 10.082 -0.153 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.786 11.302 -1.600 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.898 12.454 -0.627 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.501 12.034 1.056 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.976 12.962 0.694 1.00 0.00 H new ATOM 1315 N THR A 94 4.809 9.755 2.903 1.00 0.00 N ATOM 1316 CA THR A 94 3.904 8.761 3.538 1.00 0.00 C ATOM 1317 C THR A 94 2.673 8.568 2.640 1.00 0.00 C ATOM 1318 O THR A 94 2.318 9.441 1.872 1.00 0.00 O ATOM 1319 CB THR A 94 3.477 9.287 4.919 1.00 0.00 C ATOM 1320 OG1 THR A 94 2.975 8.212 5.699 1.00 0.00 O ATOM 1321 CG2 THR A 94 2.388 10.351 4.755 1.00 0.00 C ATOM 0 H THR A 94 4.570 10.730 3.084 1.00 0.00 H new ATOM 0 HA THR A 94 4.412 7.805 3.661 1.00 0.00 H new ATOM 0 HB THR A 94 4.339 9.730 5.418 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.704 8.545 6.580 1.00 0.00 H new ATOM 0 HG21 THR A 94 2.089 10.720 5.736 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.774 11.178 4.158 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.525 9.914 4.254 1.00 0.00 H new ATOM 1329 N CYS A 95 2.009 7.445 2.731 1.00 0.00 N ATOM 1330 CA CYS A 95 0.804 7.222 1.888 1.00 0.00 C ATOM 1331 C CYS A 95 -0.108 6.259 2.636 1.00 0.00 C ATOM 1332 O CYS A 95 0.326 5.566 3.534 1.00 0.00 O ATOM 1333 CB CYS A 95 1.201 6.605 0.538 1.00 0.00 C ATOM 1334 SG CYS A 95 -0.295 6.207 -0.400 1.00 0.00 S ATOM 0 H CYS A 95 2.252 6.674 3.354 1.00 0.00 H new ATOM 0 HA CYS A 95 0.301 8.170 1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.822 7.302 -0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.795 5.705 0.697 1.00 0.00 H new ATOM 1339 N THR A 96 -1.363 6.206 2.306 1.00 0.00 N ATOM 1340 CA THR A 96 -2.257 5.275 3.045 1.00 0.00 C ATOM 1341 C THR A 96 -3.360 4.750 2.133 1.00 0.00 C ATOM 1342 O THR A 96 -4.191 5.500 1.669 1.00 0.00 O ATOM 1343 CB THR A 96 -2.899 6.029 4.205 1.00 0.00 C ATOM 1344 OG1 THR A 96 -1.888 6.651 4.985 1.00 0.00 O ATOM 1345 CG2 THR A 96 -3.694 5.057 5.076 1.00 0.00 C ATOM 0 H THR A 96 -1.805 6.756 1.570 1.00 0.00 H new ATOM 0 HA THR A 96 -1.667 4.433 3.408 1.00 0.00 H new ATOM 0 HB THR A 96 -3.572 6.790 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.301 7.137 5.729 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.151 5.600 5.903 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.473 4.586 4.477 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.026 4.291 5.470 1.00 0.00 H new ATOM 1353 N PHE A 97 -3.408 3.467 1.893 1.00 0.00 N ATOM 1354 CA PHE A 97 -4.517 2.959 1.016 1.00 0.00 C ATOM 1355 C PHE A 97 -5.676 2.466 1.881 1.00 0.00 C ATOM 1356 O PHE A 97 -5.528 2.213 3.062 1.00 0.00 O ATOM 1357 CB PHE A 97 -4.097 1.803 0.092 1.00 0.00 C ATOM 1358 CG PHE A 97 -2.601 1.652 -0.025 1.00 0.00 C ATOM 1359 CD1 PHE A 97 -1.759 2.767 -0.036 1.00 0.00 C ATOM 1360 CD2 PHE A 97 -2.062 0.367 -0.157 1.00 0.00 C ATOM 1361 CE1 PHE A 97 -0.376 2.594 -0.183 1.00 0.00 C ATOM 1362 CE2 PHE A 97 -0.686 0.191 -0.294 1.00 0.00 C ATOM 1363 CZ PHE A 97 0.159 1.302 -0.310 1.00 0.00 C ATOM 0 H PHE A 97 -2.757 2.767 2.248 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.806 3.801 0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.522 0.872 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.518 1.967 -0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.173 3.759 0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.716 -0.493 -0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.278 3.454 -0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.274 -0.803 -0.388 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.225 1.168 -0.420 1.00 0.00 H new ATOM 1373 N VAL A 98 -6.834 2.321 1.289 1.00 0.00 N ATOM 1374 CA VAL A 98 -8.012 1.836 2.055 1.00 0.00 C ATOM 1375 C VAL A 98 -8.656 0.678 1.292 1.00 0.00 C ATOM 1376 O VAL A 98 -9.143 0.847 0.192 1.00 0.00 O ATOM 1377 CB VAL A 98 -9.023 2.973 2.202 1.00 0.00 C ATOM 1378 CG1 VAL A 98 -10.067 2.597 3.255 1.00 0.00 C ATOM 1379 CG2 VAL A 98 -8.296 4.249 2.635 1.00 0.00 C ATOM 0 H VAL A 98 -7.011 2.519 0.304 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.700 1.499 3.044 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.519 3.144 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.787 3.408 3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.585 1.689 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.573 2.425 4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.016 5.060 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.800 4.079 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.554 4.518 1.883 1.00 0.00 H new ATOM 1389 N VAL A 99 -8.667 -0.496 1.859 1.00 0.00 N ATOM 1390 CA VAL A 99 -9.284 -1.648 1.154 1.00 0.00 C ATOM 1391 C VAL A 99 -10.790 -1.618 1.389 1.00 0.00 C ATOM 1392 O VAL A 99 -11.256 -1.173 2.417 1.00 0.00 O ATOM 1393 CB VAL A 99 -8.704 -2.953 1.701 1.00 0.00 C ATOM 1394 CG1 VAL A 99 -9.144 -4.118 0.813 1.00 0.00 C ATOM 1395 CG2 VAL A 99 -7.177 -2.874 1.713 1.00 0.00 C ATOM 0 H VAL A 99 -8.276 -0.705 2.778 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.075 -1.585 0.086 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.066 -3.110 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.731 -5.048 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.232 -4.179 0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.783 -3.958 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.768 -3.806 2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.813 -2.715 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.861 -2.045 2.346 1.00 0.00 H new ATOM 1405 N TYR A 100 -11.559 -2.088 0.454 1.00 0.00 N ATOM 1406 CA TYR A 100 -13.031 -2.081 0.655 1.00 0.00 C ATOM 1407 C TYR A 100 -13.584 -3.447 0.281 1.00 0.00 C ATOM 1408 O TYR A 100 -13.513 -3.863 -0.852 1.00 0.00 O ATOM 1409 CB TYR A 100 -13.664 -1.008 -0.218 1.00 0.00 C ATOM 1410 CG TYR A 100 -15.055 -0.651 0.354 1.00 0.00 C ATOM 1411 CD1 TYR A 100 -15.183 0.283 1.402 1.00 0.00 C ATOM 1412 CD2 TYR A 100 -16.230 -1.260 -0.156 1.00 0.00 C ATOM 1413 CE1 TYR A 100 -16.444 0.604 1.920 1.00 0.00 C ATOM 1414 CE2 TYR A 100 -17.484 -0.930 0.374 1.00 0.00 C ATOM 1415 CZ TYR A 100 -17.590 0.000 1.406 1.00 0.00 C ATOM 1416 OH TYR A 100 -18.828 0.321 1.923 1.00 0.00 O ATOM 0 H TYR A 100 -11.237 -2.474 -0.434 1.00 0.00 H new ATOM 0 HA TYR A 100 -13.261 -1.865 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.029 -0.122 -0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -13.759 -1.364 -1.244 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.301 0.755 1.809 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -16.158 -1.981 -0.957 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -16.529 1.323 2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -18.374 -1.399 -0.020 1.00 0.00 H new ATOM 0 HH TYR A 100 -19.521 -0.188 1.453 1.00 0.00 H new ATOM 1426 N SER A 101 -14.127 -4.152 1.224 1.00 0.00 N ATOM 1427 CA SER A 101 -14.669 -5.501 0.919 1.00 0.00 C ATOM 1428 C SER A 101 -16.157 -5.524 1.224 1.00 0.00 C ATOM 1429 O SER A 101 -16.604 -4.987 2.214 1.00 0.00 O ATOM 1430 CB SER A 101 -13.954 -6.552 1.785 1.00 0.00 C ATOM 1431 OG SER A 101 -14.521 -6.551 3.086 1.00 0.00 O ATOM 0 H SER A 101 -14.220 -3.854 2.195 1.00 0.00 H new ATOM 0 HA SER A 101 -14.506 -5.729 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.052 -7.539 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.888 -6.331 1.840 1.00 0.00 H new ATOM 0 HG SER A 101 -14.600 -7.473 3.409 1.00 0.00 H new ATOM 1437 N ILE A 102 -16.933 -6.142 0.383 1.00 0.00 N ATOM 1438 CA ILE A 102 -18.394 -6.183 0.659 1.00 0.00 C ATOM 1439 C ILE A 102 -19.061 -7.196 -0.296 1.00 0.00 C ATOM 1440 O ILE A 102 -18.492 -7.530 -1.320 1.00 0.00 O ATOM 1441 CB ILE A 102 -18.961 -4.750 0.509 1.00 0.00 C ATOM 1442 CG1 ILE A 102 -19.966 -4.485 1.626 1.00 0.00 C ATOM 1443 CG2 ILE A 102 -19.644 -4.540 -0.845 1.00 0.00 C ATOM 1444 CD1 ILE A 102 -19.647 -3.140 2.279 1.00 0.00 C ATOM 0 H ILE A 102 -16.628 -6.613 -0.469 1.00 0.00 H new ATOM 0 HA ILE A 102 -18.602 -6.518 1.675 1.00 0.00 H new ATOM 0 HB ILE A 102 -18.125 -4.054 0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -20.980 -4.477 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -19.922 -5.283 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -20.026 -3.521 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -18.923 -4.705 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -20.470 -5.244 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -20.362 -2.945 3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -18.639 -3.166 2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -19.712 -2.348 1.532 1.00 0.00 H new ATOM 1456 N PRO A 103 -20.225 -7.689 0.075 1.00 0.00 N ATOM 1457 CA PRO A 103 -20.961 -8.710 -0.734 1.00 0.00 C ATOM 1458 C PRO A 103 -21.760 -8.079 -1.894 1.00 0.00 C ATOM 1459 O PRO A 103 -21.899 -8.685 -2.937 1.00 0.00 O ATOM 1460 CB PRO A 103 -21.885 -9.360 0.294 1.00 0.00 C ATOM 1461 CG PRO A 103 -22.105 -8.335 1.403 1.00 0.00 C ATOM 1462 CD PRO A 103 -20.956 -7.317 1.331 1.00 0.00 C ATOM 0 HA PRO A 103 -20.292 -9.417 -1.225 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -22.833 -9.643 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -21.439 -10.271 0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -23.066 -7.837 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -22.123 -8.823 2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -21.330 -6.294 1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -20.308 -7.383 2.205 1.00 0.00 H new ATOM 1470 N TRP A 104 -22.297 -6.887 -1.747 1.00 0.00 N ATOM 1471 CA TRP A 104 -23.074 -6.310 -2.896 1.00 0.00 C ATOM 1472 C TRP A 104 -22.123 -5.646 -3.910 1.00 0.00 C ATOM 1473 O TRP A 104 -22.554 -4.890 -4.756 1.00 0.00 O ATOM 1474 CB TRP A 104 -24.111 -5.277 -2.401 1.00 0.00 C ATOM 1475 CG TRP A 104 -23.432 -4.177 -1.644 1.00 0.00 C ATOM 1476 CD1 TRP A 104 -22.894 -3.068 -2.201 1.00 0.00 C ATOM 1477 CD2 TRP A 104 -23.240 -4.045 -0.208 1.00 0.00 C ATOM 1478 NE1 TRP A 104 -22.326 -2.297 -1.210 1.00 0.00 N ATOM 1479 CE2 TRP A 104 -22.532 -2.844 0.043 1.00 0.00 C ATOM 1480 CE3 TRP A 104 -23.594 -4.847 0.891 1.00 0.00 C ATOM 1481 CZ2 TRP A 104 -22.190 -2.456 1.335 1.00 0.00 C ATOM 1482 CZ3 TRP A 104 -23.257 -4.454 2.196 1.00 0.00 C ATOM 1483 CH2 TRP A 104 -22.556 -3.261 2.417 1.00 0.00 C ATOM 0 H TRP A 104 -22.235 -6.305 -0.911 1.00 0.00 H new ATOM 0 HA TRP A 104 -23.604 -7.128 -3.384 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -24.654 -4.862 -3.250 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -24.846 -5.767 -1.762 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -22.907 -2.826 -3.253 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -21.817 -1.430 -1.380 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -24.129 -5.771 0.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -21.645 -1.538 1.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -23.539 -5.074 3.034 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -22.299 -2.964 3.423 1.00 0.00 H new ATOM 1494 N LEU A 105 -20.840 -5.934 -3.849 1.00 0.00 N ATOM 1495 CA LEU A 105 -19.876 -5.337 -4.811 1.00 0.00 C ATOM 1496 C LEU A 105 -19.048 -6.469 -5.409 1.00 0.00 C ATOM 1497 O LEU A 105 -18.997 -6.629 -6.610 1.00 0.00 O ATOM 1498 CB LEU A 105 -18.942 -4.334 -4.116 1.00 0.00 C ATOM 1499 CG LEU A 105 -19.496 -2.914 -4.265 1.00 0.00 C ATOM 1500 CD1 LEU A 105 -19.053 -2.338 -5.587 1.00 0.00 C ATOM 1501 CD2 LEU A 105 -20.994 -2.937 -4.253 1.00 0.00 C ATOM 0 H LEU A 105 -20.424 -6.565 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 105 -20.426 -4.800 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -18.844 -4.586 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -17.944 -4.392 -4.551 1.00 0.00 H new ATOM 0 HG LEU A 105 -19.126 -2.311 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -19.447 -1.327 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -17.964 -2.309 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -19.428 -2.961 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -21.374 -1.921 -4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -21.355 -3.548 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -21.344 -3.358 -3.311 1.00 0.00 H new ATOM 1513 N ASN A 106 -18.438 -7.272 -4.562 1.00 0.00 N ATOM 1514 CA ASN A 106 -17.631 -8.444 -5.034 1.00 0.00 C ATOM 1515 C ASN A 106 -16.471 -8.745 -4.069 1.00 0.00 C ATOM 1516 O ASN A 106 -15.322 -8.751 -4.463 1.00 0.00 O ATOM 1517 CB ASN A 106 -17.056 -8.204 -6.442 1.00 0.00 C ATOM 1518 CG ASN A 106 -16.100 -9.345 -6.801 1.00 0.00 C ATOM 1519 OD1 ASN A 106 -15.992 -10.311 -6.073 1.00 0.00 O ATOM 1520 ND2 ASN A 106 -15.401 -9.275 -7.902 1.00 0.00 N ATOM 0 H ASN A 106 -18.468 -7.161 -3.549 1.00 0.00 H new ATOM 0 HA ASN A 106 -18.308 -9.297 -5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -17.863 -8.148 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.530 -7.250 -6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.764 -10.032 -8.151 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.492 -8.463 -8.513 1.00 0.00 H new ATOM 1527 N GLN A 107 -16.739 -9.033 -2.816 1.00 0.00 N ATOM 1528 CA GLN A 107 -15.606 -9.373 -1.902 1.00 0.00 C ATOM 1529 C GLN A 107 -14.694 -8.151 -1.720 1.00 0.00 C ATOM 1530 O GLN A 107 -15.093 -7.023 -1.955 1.00 0.00 O ATOM 1531 CB GLN A 107 -14.837 -10.551 -2.551 1.00 0.00 C ATOM 1532 CG GLN A 107 -13.994 -11.350 -1.533 1.00 0.00 C ATOM 1533 CD GLN A 107 -14.564 -11.217 -0.115 1.00 0.00 C ATOM 1534 OE1 GLN A 107 -15.727 -11.486 0.112 1.00 0.00 O ATOM 1535 NE2 GLN A 107 -13.788 -10.811 0.852 1.00 0.00 N ATOM 0 H GLN A 107 -17.669 -9.047 -2.397 1.00 0.00 H new ATOM 0 HA GLN A 107 -15.966 -9.658 -0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -15.549 -11.222 -3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.183 -10.165 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.971 -12.401 -1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.965 -10.992 -1.549 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.812 -10.585 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.158 -10.719 1.798 1.00 0.00 H new ATOM 1544 N ILE A 108 -13.491 -8.378 -1.272 1.00 0.00 N ATOM 1545 CA ILE A 108 -12.514 -7.273 -1.049 1.00 0.00 C ATOM 1546 C ILE A 108 -12.412 -6.390 -2.296 1.00 0.00 C ATOM 1547 O ILE A 108 -12.745 -6.798 -3.391 1.00 0.00 O ATOM 1548 CB ILE A 108 -11.140 -7.877 -0.761 1.00 0.00 C ATOM 1549 CG1 ILE A 108 -10.112 -6.754 -0.618 1.00 0.00 C ATOM 1550 CG2 ILE A 108 -10.739 -8.792 -1.919 1.00 0.00 C ATOM 1551 CD1 ILE A 108 -8.786 -7.337 -0.126 1.00 0.00 C ATOM 0 H ILE A 108 -13.135 -9.306 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 108 -12.851 -6.667 -0.208 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.178 -8.453 0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.969 -6.254 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.474 -6.002 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -9.759 -9.225 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.474 -9.590 -2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.697 -8.214 -2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -8.053 -6.537 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.936 -7.817 0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.423 -8.072 -0.844 1.00 0.00 H new ATOM 1563 N LYS A 109 -11.951 -5.179 -2.130 1.00 0.00 N ATOM 1564 CA LYS A 109 -11.820 -4.253 -3.290 1.00 0.00 C ATOM 1565 C LYS A 109 -10.687 -3.256 -3.023 1.00 0.00 C ATOM 1566 O LYS A 109 -10.086 -3.250 -1.965 1.00 0.00 O ATOM 1567 CB LYS A 109 -13.133 -3.494 -3.490 1.00 0.00 C ATOM 1568 CG LYS A 109 -13.372 -3.285 -4.986 1.00 0.00 C ATOM 1569 CD LYS A 109 -14.875 -3.206 -5.259 1.00 0.00 C ATOM 1570 CE LYS A 109 -15.380 -1.800 -4.931 1.00 0.00 C ATOM 1571 NZ LYS A 109 -15.294 -0.944 -6.147 1.00 0.00 N ATOM 0 H LYS A 109 -11.658 -4.790 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.594 -4.827 -4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.960 -4.053 -3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.092 -2.532 -2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.883 -2.369 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.932 -4.105 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.079 -3.443 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -15.404 -3.944 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.410 -1.845 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.786 -1.367 -4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.637 0.012 -5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.305 -0.891 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.879 -1.354 -6.902 1.00 0.00 H new ATOM 1585 N LEU A 110 -10.403 -2.405 -3.974 1.00 0.00 N ATOM 1586 CA LEU A 110 -9.322 -1.405 -3.804 1.00 0.00 C ATOM 1587 C LEU A 110 -9.935 -0.007 -3.875 1.00 0.00 C ATOM 1588 O LEU A 110 -9.905 0.655 -4.892 1.00 0.00 O ATOM 1589 CB LEU A 110 -8.286 -1.587 -4.922 1.00 0.00 C ATOM 1590 CG LEU A 110 -7.236 -0.458 -4.917 1.00 0.00 C ATOM 1591 CD1 LEU A 110 -7.610 0.600 -5.958 1.00 0.00 C ATOM 1592 CD2 LEU A 110 -7.129 0.197 -3.535 1.00 0.00 C ATOM 0 H LEU A 110 -10.885 -2.365 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.829 -1.537 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.787 -2.549 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.792 -1.609 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.268 -0.895 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.866 1.396 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.643 0.142 -6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.588 1.016 -5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.380 0.989 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.094 0.620 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.836 -0.552 -2.799 1.00 0.00 H new ATOM 1604 N LEU A 111 -10.507 0.432 -2.800 1.00 0.00 N ATOM 1605 CA LEU A 111 -11.143 1.777 -2.769 1.00 0.00 C ATOM 1606 C LEU A 111 -10.227 2.789 -3.451 1.00 0.00 C ATOM 1607 O LEU A 111 -10.519 3.277 -4.525 1.00 0.00 O ATOM 1608 CB LEU A 111 -11.376 2.194 -1.316 1.00 0.00 C ATOM 1609 CG LEU A 111 -12.570 3.151 -1.242 1.00 0.00 C ATOM 1610 CD1 LEU A 111 -13.853 2.394 -1.589 1.00 0.00 C ATOM 1611 CD2 LEU A 111 -12.680 3.718 0.173 1.00 0.00 C ATOM 0 H LEU A 111 -10.564 -0.089 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.097 1.742 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.563 1.314 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.484 2.678 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 111 -12.427 3.967 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.703 3.075 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -13.775 1.989 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -13.997 1.578 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -13.529 4.399 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -12.823 2.902 0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.766 4.257 0.421 1.00 0.00 H new ATOM 1623 N GLU A 112 -9.117 3.108 -2.845 1.00 0.00 N ATOM 1624 CA GLU A 112 -8.194 4.092 -3.492 1.00 0.00 C ATOM 1625 C GLU A 112 -6.974 4.339 -2.606 1.00 0.00 C ATOM 1626 O GLU A 112 -6.803 3.726 -1.571 1.00 0.00 O ATOM 1627 CB GLU A 112 -8.917 5.433 -3.731 1.00 0.00 C ATOM 1628 CG GLU A 112 -9.874 5.723 -2.569 1.00 0.00 C ATOM 1629 CD GLU A 112 -11.000 6.641 -3.053 1.00 0.00 C ATOM 1630 OE1 GLU A 112 -10.732 7.480 -3.897 1.00 0.00 O ATOM 1631 OE2 GLU A 112 -12.111 6.488 -2.571 1.00 0.00 O ATOM 0 H GLU A 112 -8.809 2.739 -1.945 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.874 3.676 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -8.188 6.238 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.471 5.396 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.289 4.791 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -9.334 6.194 -1.748 1.00 0.00 H new ATOM 1638 N SER A 113 -6.122 5.239 -3.018 1.00 0.00 N ATOM 1639 CA SER A 113 -4.899 5.541 -2.219 1.00 0.00 C ATOM 1640 C SER A 113 -5.041 6.920 -1.567 1.00 0.00 C ATOM 1641 O SER A 113 -5.745 7.781 -2.058 1.00 0.00 O ATOM 1642 CB SER A 113 -3.674 5.534 -3.139 1.00 0.00 C ATOM 1643 OG SER A 113 -3.559 6.796 -3.781 1.00 0.00 O ATOM 0 H SER A 113 -6.221 5.780 -3.877 1.00 0.00 H new ATOM 0 HA SER A 113 -4.776 4.785 -1.444 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.773 5.324 -2.562 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.768 4.743 -3.883 1.00 0.00 H new ATOM 0 HG SER A 113 -2.775 6.794 -4.369 1.00 0.00 H new ATOM 1649 N LYS A 114 -4.374 7.137 -0.465 1.00 0.00 N ATOM 1650 CA LYS A 114 -4.467 8.455 0.219 1.00 0.00 C ATOM 1651 C LYS A 114 -3.055 8.917 0.618 1.00 0.00 C ATOM 1652 O LYS A 114 -2.611 8.673 1.723 1.00 0.00 O ATOM 1653 CB LYS A 114 -5.320 8.312 1.483 1.00 0.00 C ATOM 1654 CG LYS A 114 -6.803 8.297 1.104 1.00 0.00 C ATOM 1655 CD LYS A 114 -7.227 9.688 0.621 1.00 0.00 C ATOM 1656 CE LYS A 114 -7.174 10.675 1.789 1.00 0.00 C ATOM 1657 NZ LYS A 114 -6.561 11.955 1.332 1.00 0.00 N ATOM 0 H LYS A 114 -3.768 6.455 -0.009 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.922 9.184 -0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.059 7.393 2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.117 9.137 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.981 7.560 0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.405 8.001 1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.568 10.022 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.236 9.649 0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.179 10.857 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.593 10.253 2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.525 12.626 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.597 11.774 0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.133 12.359 0.563 1.00 0.00 H new ATOM 1671 N CYS A 115 -2.335 9.571 -0.264 1.00 0.00 N ATOM 1672 CA CYS A 115 -0.962 10.027 0.102 1.00 0.00 C ATOM 1673 C CYS A 115 -0.791 11.501 -0.262 1.00 0.00 C ATOM 1674 O CYS A 115 -1.603 12.084 -0.954 1.00 0.00 O ATOM 1675 CB CYS A 115 0.114 9.211 -0.633 1.00 0.00 C ATOM 1676 SG CYS A 115 -0.621 7.832 -1.559 1.00 0.00 S ATOM 0 H CYS A 115 -2.637 9.805 -1.210 1.00 0.00 H new ATOM 0 HA CYS A 115 -0.841 9.884 1.176 1.00 0.00 H new ATOM 0 HB2 CYS A 115 0.662 9.860 -1.316 1.00 0.00 H new ATOM 0 HB3 CYS A 115 0.836 8.825 0.087 1.00 0.00 H new ATOM 1681 N GLN A 116 0.270 12.104 0.199 1.00 0.00 N ATOM 1682 CA GLN A 116 0.515 13.540 -0.115 1.00 0.00 C ATOM 1683 C GLN A 116 1.795 14.004 0.584 1.00 0.00 C ATOM 1684 CB GLN A 116 -0.661 14.388 0.373 1.00 0.00 C ATOM 1685 CG GLN A 116 -0.506 15.819 -0.149 1.00 0.00 C ATOM 1686 CD GLN A 116 -0.786 16.808 0.982 1.00 0.00 C ATOM 1687 OE1 GLN A 116 -1.888 16.877 1.488 1.00 0.00 O ATOM 1688 NE2 GLN A 116 0.174 17.586 1.406 1.00 0.00 N ATOM 0 H GLN A 116 0.981 11.662 0.782 1.00 0.00 H new ATOM 0 HA GLN A 116 0.621 13.656 -1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -1.601 13.961 0.024 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -0.696 14.388 1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.502 15.969 -0.536 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -1.194 15.992 -0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 116 1.100 17.530 0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -0.003 18.249 2.160 1.00 0.00 H new