USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 884 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 84 MET CE :methyl 170:sc= -3.3! (180deg=-2.7) USER MOD Set 1.2: B 9 GLN : amide:sc= -9.55! C(o=-11!,f=-15!) USER MOD Set 1.3: B 11 THR OG1 : rot 142:sc= 1.41 USER MOD Set 2.1: A 71 ASN : amide:sc= -5.66! C(o=-7.1!,f=-10!) USER MOD Set 2.2: A 90 SER OG : rot -15:sc= -1.42! USER MOD Single : A 8 THR OG1 : rot 56:sc= 1.22 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.916! F(o=-2.5,f=-0.92!) USER MOD Single : A 21 SER OG : rot -80:sc= 0.664 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 66:sc= 0.48 USER MOD Single : A 31 LYS NZ :NH3+ -138:sc=-0.00261 (180deg=-0.504) USER MOD Single : A 33 ASN : amide:sc= -3.81! C(o=-3.8!,f=-10!) USER MOD Single : A 35 SER OG : rot 140:sc= -0.128 USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= 0.531 (180deg=0.282) USER MOD Single : A 38 ASN : amide:sc= -0.053 K(o=-0.053,f=-0.85) USER MOD Single : A 39 HIS : no HE2:sc= -1.02 X(o=-1,f=-1.4) USER MOD Single : A 47 LYS NZ :NH3+ -126:sc= 0.459 (180deg=-0.367) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.556 F(o=-1.1,f=-0.56) USER MOD Single : A 56 SER OG : rot -120:sc= -1.02 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.32 X(o=-2.3,f=-2.4) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.967 F(o=-2,f=-0.97) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -113:sc= -0.67 (180deg=-3.55!) USER MOD Single : A 80 ASN : amide:sc= -5.66! C(o=-5.7!,f=-12!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.814 F(o=-4.2,f=-0.81) USER MOD Single : A 86 THR OG1 : rot 81:sc= 0.376 USER MOD Single : A 91 MET CE :methyl 175:sc= -7.64! (180deg=-7.99!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.868 F(o=-2.1!,f=-0.87) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -169:sc= -1.89 (180deg=-2.47) USER MOD Single : A 102 GLN :FLIP amide:sc= -1.06 F(o=-1.7,f=-1.1) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : B 6 GLN :FLIP amide:sc= -0.0898 F(o=-1.3,f=-0.09) USER MOD Single : B 7 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -5.226 -11.922 -7.497 1.00 0.00 N ATOM 2 CA GLY A 7 -6.672 -11.823 -7.587 1.00 0.00 C ATOM 3 C GLY A 7 -7.169 -10.403 -7.398 1.00 0.00 C ATOM 4 O GLY A 7 -8.033 -9.938 -8.141 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.999 -12.193 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.125 -12.467 -6.833 1.00 0.00 H new ATOM 8 N THR A 8 -6.622 -9.716 -6.400 1.00 0.00 N ATOM 9 CA THR A 8 -7.015 -8.342 -6.114 1.00 0.00 C ATOM 10 C THR A 8 -5.790 -7.466 -5.876 1.00 0.00 C ATOM 11 O THR A 8 -5.432 -7.186 -4.736 1.00 0.00 O ATOM 12 CB THR A 8 -7.933 -8.296 -4.892 1.00 0.00 C ATOM 13 OG1 THR A 8 -7.226 -8.654 -3.718 1.00 0.00 O ATOM 14 CG2 THR A 8 -9.128 -9.219 -5.007 1.00 0.00 C ATOM 0 H THR A 8 -5.906 -10.089 -5.777 1.00 0.00 H new ATOM 0 HA THR A 8 -7.554 -7.956 -6.979 1.00 0.00 H new ATOM 0 HB THR A 8 -8.291 -7.268 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.450 -8.065 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.738 -9.138 -4.107 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.723 -8.937 -5.876 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.784 -10.247 -5.121 1.00 0.00 H new ATOM 22 N ARG A 9 -5.151 -7.040 -6.960 1.00 0.00 N ATOM 23 CA ARG A 9 -3.964 -6.196 -6.862 1.00 0.00 C ATOM 24 C ARG A 9 -4.062 -5.009 -7.815 1.00 0.00 C ATOM 25 O ARG A 9 -4.300 -5.179 -9.011 1.00 0.00 O ATOM 26 CB ARG A 9 -2.706 -7.013 -7.165 1.00 0.00 C ATOM 27 CG ARG A 9 -1.660 -6.947 -6.064 1.00 0.00 C ATOM 28 CD ARG A 9 -0.657 -8.084 -6.177 1.00 0.00 C ATOM 29 NE ARG A 9 0.561 -7.675 -6.876 1.00 0.00 N ATOM 30 CZ ARG A 9 0.695 -7.680 -8.201 1.00 0.00 C ATOM 31 NH1 ARG A 9 -0.307 -8.072 -8.979 1.00 0.00 N ATOM 32 NH2 ARG A 9 1.839 -7.294 -8.751 1.00 0.00 N ATOM 0 H ARG A 9 -5.433 -7.264 -7.914 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.901 -5.814 -5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.988 -8.054 -7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.265 -6.655 -8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.136 -5.992 -6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.151 -6.989 -5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.400 -8.441 -5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.115 -8.920 -6.706 1.00 0.00 H new ATOM 0 HE ARG A 9 1.355 -7.368 -6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.188 -8.373 -8.563 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.195 -8.073 -9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.614 -6.994 -8.159 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.944 -7.297 -9.766 1.00 0.00 H new ATOM 46 N GLU A 10 -3.878 -3.807 -7.279 1.00 0.00 N ATOM 47 CA GLU A 10 -3.948 -2.593 -8.084 1.00 0.00 C ATOM 48 C GLU A 10 -2.710 -1.724 -7.880 1.00 0.00 C ATOM 49 O GLU A 10 -2.247 -1.540 -6.753 1.00 0.00 O ATOM 50 CB GLU A 10 -5.207 -1.796 -7.737 1.00 0.00 C ATOM 51 CG GLU A 10 -5.348 -1.496 -6.255 1.00 0.00 C ATOM 52 CD GLU A 10 -6.475 -0.523 -5.964 1.00 0.00 C ATOM 53 OE1 GLU A 10 -7.634 -0.838 -6.308 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.198 0.552 -5.394 1.00 0.00 O ATOM 0 H GLU A 10 -3.679 -3.648 -6.291 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.990 -2.889 -9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.196 -0.857 -8.290 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.083 -2.352 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.526 -2.426 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.411 -1.084 -5.880 1.00 0.00 H new ATOM 61 N PHE A 11 -2.185 -1.191 -8.981 1.00 0.00 N ATOM 62 CA PHE A 11 -1.004 -0.336 -8.935 1.00 0.00 C ATOM 63 C PHE A 11 -1.394 1.117 -8.687 1.00 0.00 C ATOM 64 O PHE A 11 -2.457 1.565 -9.117 1.00 0.00 O ATOM 65 CB PHE A 11 -0.217 -0.448 -10.243 1.00 0.00 C ATOM 66 CG PHE A 11 0.233 -1.845 -10.558 1.00 0.00 C ATOM 67 CD1 PHE A 11 1.064 -2.531 -9.687 1.00 0.00 C ATOM 68 CD2 PHE A 11 -0.173 -2.472 -11.725 1.00 0.00 C ATOM 69 CE1 PHE A 11 1.482 -3.817 -9.974 1.00 0.00 C ATOM 70 CE2 PHE A 11 0.242 -3.760 -12.018 1.00 0.00 C ATOM 71 CZ PHE A 11 1.070 -4.433 -11.141 1.00 0.00 C ATOM 0 H PHE A 11 -2.561 -1.337 -9.918 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.375 -0.671 -8.110 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.836 -0.082 -11.062 1.00 0.00 H new ATOM 0 HB3 PHE A 11 0.656 0.202 -10.188 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.389 -2.056 -8.773 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.821 -1.950 -12.414 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.130 -4.340 -9.287 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.081 -4.238 -12.931 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.395 -5.438 -11.366 1.00 0.00 H new ATOM 81 N LEU A 12 -0.532 1.850 -7.988 1.00 0.00 N ATOM 82 CA LEU A 12 -0.796 3.252 -7.679 1.00 0.00 C ATOM 83 C LEU A 12 0.460 4.104 -7.860 1.00 0.00 C ATOM 84 O LEU A 12 1.411 3.998 -7.085 1.00 0.00 O ATOM 85 CB LEU A 12 -1.314 3.397 -6.243 1.00 0.00 C ATOM 86 CG LEU A 12 -2.231 2.269 -5.758 1.00 0.00 C ATOM 87 CD1 LEU A 12 -1.841 1.825 -4.354 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.688 2.710 -5.793 1.00 0.00 C ATOM 0 H LEU A 12 0.354 1.497 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.558 3.605 -8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.458 3.461 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.854 4.341 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.113 1.420 -6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.504 1.024 -4.028 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.812 1.465 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.927 2.668 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.323 1.895 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.822 3.576 -5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.964 2.974 -6.814 1.00 0.00 H new ATOM 100 N THR A 13 0.451 4.954 -8.883 1.00 0.00 N ATOM 101 CA THR A 13 1.583 5.832 -9.162 1.00 0.00 C ATOM 102 C THR A 13 1.274 7.260 -8.718 1.00 0.00 C ATOM 103 O THR A 13 0.237 7.817 -9.078 1.00 0.00 O ATOM 104 CB THR A 13 1.918 5.803 -10.654 1.00 0.00 C ATOM 105 OG1 THR A 13 2.328 4.505 -11.051 1.00 0.00 O ATOM 106 CG2 THR A 13 3.015 6.767 -11.042 1.00 0.00 C ATOM 0 H THR A 13 -0.329 5.053 -9.533 1.00 0.00 H new ATOM 0 HA THR A 13 2.446 5.474 -8.601 1.00 0.00 H new ATOM 0 HB THR A 13 1.000 6.101 -11.160 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.536 4.506 -12.009 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.201 6.694 -12.113 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.710 7.784 -10.795 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.926 6.519 -10.498 1.00 0.00 H new ATOM 114 N PHE A 14 2.170 7.848 -7.925 1.00 0.00 N ATOM 115 CA PHE A 14 1.964 9.207 -7.433 1.00 0.00 C ATOM 116 C PHE A 14 3.258 10.020 -7.413 1.00 0.00 C ATOM 117 O PHE A 14 4.346 9.496 -7.641 1.00 0.00 O ATOM 118 CB PHE A 14 1.361 9.171 -6.028 1.00 0.00 C ATOM 119 CG PHE A 14 0.102 8.359 -5.940 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.988 8.657 -6.742 1.00 0.00 C ATOM 121 CD2 PHE A 14 0.007 7.297 -5.055 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.148 7.912 -6.664 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.151 6.548 -4.973 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.231 6.855 -5.778 1.00 0.00 C ATOM 0 H PHE A 14 3.036 7.409 -7.613 1.00 0.00 H new ATOM 0 HA PHE A 14 1.276 9.697 -8.122 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.097 8.763 -5.335 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.150 10.190 -5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.930 9.482 -7.437 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.847 7.052 -4.422 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.990 8.155 -7.295 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.212 5.722 -4.279 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.137 6.271 -5.715 1.00 0.00 H new ATOM 134 N GLU A 15 3.112 11.308 -7.121 1.00 0.00 N ATOM 135 CA GLU A 15 4.239 12.233 -7.041 1.00 0.00 C ATOM 136 C GLU A 15 4.181 12.966 -5.705 1.00 0.00 C ATOM 137 O GLU A 15 3.266 13.750 -5.463 1.00 0.00 O ATOM 138 CB GLU A 15 4.197 13.231 -8.201 1.00 0.00 C ATOM 139 CG GLU A 15 3.435 12.727 -9.418 1.00 0.00 C ATOM 140 CD GLU A 15 1.964 13.093 -9.380 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.189 12.376 -8.711 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.585 14.098 -10.020 1.00 0.00 O ATOM 0 H GLU A 15 2.208 11.741 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 15 5.173 11.676 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.738 14.157 -7.855 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.218 13.472 -8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.885 13.141 -10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.534 11.643 -9.481 1.00 0.00 H new ATOM 149 N VAL A 16 5.133 12.676 -4.823 1.00 0.00 N ATOM 150 CA VAL A 16 5.143 13.280 -3.497 1.00 0.00 C ATOM 151 C VAL A 16 6.184 14.388 -3.349 1.00 0.00 C ATOM 152 O VAL A 16 7.385 14.123 -3.361 1.00 0.00 O ATOM 153 CB VAL A 16 5.405 12.211 -2.417 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.426 12.834 -1.028 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.364 11.105 -2.501 1.00 0.00 C ATOM 0 H VAL A 16 5.902 12.031 -5.002 1.00 0.00 H new ATOM 0 HA VAL A 16 4.157 13.726 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 16 6.386 11.773 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.613 12.059 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.216 13.583 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.465 13.306 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.563 10.359 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.371 11.528 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.411 10.635 -3.483 1.00 0.00 H new ATOM 165 N PRO A 17 5.735 15.647 -3.164 1.00 0.00 N ATOM 166 CA PRO A 17 6.636 16.776 -2.967 1.00 0.00 C ATOM 167 C PRO A 17 7.051 16.887 -1.504 1.00 0.00 C ATOM 168 O PRO A 17 6.199 16.896 -0.616 1.00 0.00 O ATOM 169 CB PRO A 17 5.777 17.966 -3.382 1.00 0.00 C ATOM 170 CG PRO A 17 4.384 17.571 -3.020 1.00 0.00 C ATOM 171 CD PRO A 17 4.322 16.062 -3.095 1.00 0.00 C ATOM 0 HA PRO A 17 7.565 16.696 -3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.080 18.874 -2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.867 18.167 -4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.132 17.919 -2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.665 18.022 -3.704 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.825 15.640 -2.222 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.765 15.729 -3.971 1.00 0.00 H new ATOM 179 N LEU A 18 8.354 16.951 -1.247 1.00 0.00 N ATOM 180 CA LEU A 18 8.853 17.029 0.124 1.00 0.00 C ATOM 181 C LEU A 18 9.710 18.264 0.345 1.00 0.00 C ATOM 182 O LEU A 18 10.619 18.255 1.173 1.00 0.00 O ATOM 183 CB LEU A 18 9.675 15.795 0.438 1.00 0.00 C ATOM 184 CG LEU A 18 10.724 15.494 -0.618 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.026 15.047 0.025 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.213 14.445 -1.592 1.00 0.00 C ATOM 0 H LEU A 18 9.080 16.951 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 18 7.989 17.091 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.166 15.928 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.009 14.937 0.535 1.00 0.00 H new ATOM 0 HG LEU A 18 10.922 16.410 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.762 14.837 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.400 15.837 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.851 14.146 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.978 14.242 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.982 13.527 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.312 14.813 -2.083 1.00 0.00 H new ATOM 198 N ASN A 19 9.411 19.322 -0.390 1.00 0.00 N ATOM 199 CA ASN A 19 10.144 20.582 -0.273 1.00 0.00 C ATOM 200 C ASN A 19 10.536 20.864 1.179 1.00 0.00 C ATOM 201 O ASN A 19 11.594 21.429 1.455 1.00 0.00 O ATOM 202 CB ASN A 19 9.290 21.729 -0.810 1.00 0.00 C ATOM 203 CG ASN A 19 8.176 22.135 0.143 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.312 21.187 0.497 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 8.093 23.291 0.557 1.00 0.00 N flip ATOM 0 H ASN A 19 8.661 19.338 -1.081 1.00 0.00 H new ATOM 0 HA ASN A 19 11.058 20.498 -0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.928 22.591 -1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.855 21.435 -1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.776 23.989 0.262 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.341 23.551 1.196 1.00 0.00 H new ATOM 212 N ASP A 20 9.671 20.447 2.098 1.00 0.00 N ATOM 213 CA ASP A 20 9.909 20.629 3.523 1.00 0.00 C ATOM 214 C ASP A 20 10.154 19.285 4.189 1.00 0.00 C ATOM 215 O ASP A 20 10.943 19.176 5.128 1.00 0.00 O ATOM 216 CB ASP A 20 8.718 21.321 4.183 1.00 0.00 C ATOM 217 CG ASP A 20 8.524 22.742 3.691 1.00 0.00 C ATOM 218 OD1 ASP A 20 9.356 23.607 4.035 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.540 22.988 2.962 1.00 0.00 O ATOM 0 H ASP A 20 8.793 19.977 1.877 1.00 0.00 H new ATOM 0 HA ASP A 20 10.792 21.257 3.645 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.813 20.746 3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.861 21.331 5.264 1.00 0.00 H new ATOM 224 N SER A 21 9.469 18.261 3.690 1.00 0.00 N ATOM 225 CA SER A 21 9.607 16.915 4.225 1.00 0.00 C ATOM 226 C SER A 21 11.007 16.366 3.966 1.00 0.00 C ATOM 227 O SER A 21 11.403 15.360 4.554 1.00 0.00 O ATOM 228 CB SER A 21 8.554 15.991 3.609 1.00 0.00 C ATOM 229 OG SER A 21 8.004 15.123 4.583 1.00 0.00 O ATOM 0 H SER A 21 8.812 18.340 2.914 1.00 0.00 H new ATOM 0 HA SER A 21 9.453 16.959 5.303 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.760 16.588 3.160 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.004 15.405 2.808 1.00 0.00 H new ATOM 0 HG SER A 21 8.616 14.373 4.736 1.00 0.00 H new ATOM 235 N GLY A 22 11.759 17.031 3.083 1.00 0.00 N ATOM 236 CA GLY A 22 13.107 16.586 2.770 1.00 0.00 C ATOM 237 C GLY A 22 13.915 16.241 4.009 1.00 0.00 C ATOM 238 O GLY A 22 14.818 15.405 3.956 1.00 0.00 O ATOM 0 H GLY A 22 11.457 17.867 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.055 15.712 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.622 17.367 2.212 1.00 0.00 H new ATOM 242 N SER A 23 13.589 16.883 5.126 1.00 0.00 N ATOM 243 CA SER A 23 14.289 16.635 6.381 1.00 0.00 C ATOM 244 C SER A 23 13.733 15.396 7.075 1.00 0.00 C ATOM 245 O SER A 23 14.474 14.637 7.702 1.00 0.00 O ATOM 246 CB SER A 23 14.169 17.850 7.304 1.00 0.00 C ATOM 247 OG SER A 23 15.391 18.103 7.977 1.00 0.00 O ATOM 0 H SER A 23 12.845 17.578 5.188 1.00 0.00 H new ATOM 0 HA SER A 23 15.341 16.462 6.156 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.883 18.726 6.722 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.377 17.680 8.033 1.00 0.00 H new ATOM 0 HG SER A 23 15.288 18.885 8.559 1.00 0.00 H new ATOM 253 N ALA A 24 12.423 15.196 6.960 1.00 0.00 N ATOM 254 CA ALA A 24 11.765 14.050 7.573 1.00 0.00 C ATOM 255 C ALA A 24 11.893 12.806 6.699 1.00 0.00 C ATOM 256 O ALA A 24 11.809 11.679 7.189 1.00 0.00 O ATOM 257 CB ALA A 24 10.297 14.363 7.829 1.00 0.00 C ATOM 0 H ALA A 24 11.796 15.815 6.446 1.00 0.00 H new ATOM 0 HA ALA A 24 12.258 13.846 8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.815 13.499 8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.219 15.220 8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.804 14.594 6.885 1.00 0.00 H new ATOM 263 N GLY A 25 12.084 13.020 5.400 1.00 0.00 N ATOM 264 CA GLY A 25 12.206 11.911 4.471 1.00 0.00 C ATOM 265 C GLY A 25 11.124 11.953 3.412 1.00 0.00 C ATOM 266 O GLY A 25 11.411 11.959 2.217 1.00 0.00 O ATOM 0 H GLY A 25 12.157 13.944 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.185 11.941 3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.146 10.969 5.017 1.00 0.00 H new ATOM 270 N LEU A 26 9.875 12.005 3.865 1.00 0.00 N ATOM 271 CA LEU A 26 8.730 12.068 2.964 1.00 0.00 C ATOM 272 C LEU A 26 7.424 12.104 3.747 1.00 0.00 C ATOM 273 O LEU A 26 6.472 12.767 3.345 1.00 0.00 O ATOM 274 CB LEU A 26 8.722 10.889 1.991 1.00 0.00 C ATOM 275 CG LEU A 26 8.089 11.199 0.634 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.765 12.403 -0.003 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.169 9.990 -0.284 1.00 0.00 C ATOM 0 H LEU A 26 9.630 12.005 4.855 1.00 0.00 H new ATOM 0 HA LEU A 26 8.820 12.989 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.748 10.556 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.184 10.059 2.449 1.00 0.00 H new ATOM 0 HG LEU A 26 7.037 11.437 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.303 12.611 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.652 13.270 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.825 12.192 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.713 10.231 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.213 9.717 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.638 9.153 0.169 1.00 0.00 H new ATOM 289 N GLY A 27 7.386 11.396 4.870 1.00 0.00 N ATOM 290 CA GLY A 27 6.188 11.379 5.687 1.00 0.00 C ATOM 291 C GLY A 27 5.564 10.002 5.808 1.00 0.00 C ATOM 292 O GLY A 27 4.345 9.882 5.911 1.00 0.00 O ATOM 0 H GLY A 27 8.160 10.836 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.431 11.749 6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.456 12.066 5.261 1.00 0.00 H new ATOM 296 N VAL A 28 6.392 8.960 5.798 1.00 0.00 N ATOM 297 CA VAL A 28 5.886 7.594 5.913 1.00 0.00 C ATOM 298 C VAL A 28 6.956 6.632 6.414 1.00 0.00 C ATOM 299 O VAL A 28 8.153 6.877 6.263 1.00 0.00 O ATOM 300 CB VAL A 28 5.356 7.064 4.564 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.218 7.928 4.055 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.476 6.992 3.537 1.00 0.00 C ATOM 0 H VAL A 28 7.406 9.033 5.712 1.00 0.00 H new ATOM 0 HA VAL A 28 5.070 7.640 6.635 1.00 0.00 H new ATOM 0 HB VAL A 28 4.973 6.056 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.861 7.535 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.404 7.921 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.571 8.950 3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.081 6.616 2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.894 7.987 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.257 6.321 3.896 1.00 0.00 H new ATOM 312 N SER A 29 6.505 5.524 6.991 1.00 0.00 N ATOM 313 CA SER A 29 7.404 4.497 7.495 1.00 0.00 C ATOM 314 C SER A 29 7.162 3.197 6.740 1.00 0.00 C ATOM 315 O SER A 29 6.072 2.628 6.805 1.00 0.00 O ATOM 316 CB SER A 29 7.191 4.288 8.996 1.00 0.00 C ATOM 317 OG SER A 29 6.553 5.409 9.583 1.00 0.00 O ATOM 0 H SER A 29 5.515 5.315 7.121 1.00 0.00 H new ATOM 0 HA SER A 29 8.434 4.817 7.339 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.587 3.395 9.160 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.151 4.117 9.482 1.00 0.00 H new ATOM 0 HG SER A 29 5.644 5.492 9.226 1.00 0.00 H new ATOM 323 N VAL A 30 8.171 2.743 6.005 1.00 0.00 N ATOM 324 CA VAL A 30 8.050 1.519 5.221 1.00 0.00 C ATOM 325 C VAL A 30 8.833 0.371 5.845 1.00 0.00 C ATOM 326 O VAL A 30 9.922 0.565 6.382 1.00 0.00 O ATOM 327 CB VAL A 30 8.542 1.730 3.776 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.507 2.493 2.964 1.00 0.00 C ATOM 329 CG2 VAL A 30 9.879 2.458 3.765 1.00 0.00 C ATOM 0 H VAL A 30 9.079 3.202 5.935 1.00 0.00 H new ATOM 0 HA VAL A 30 6.991 1.262 5.210 1.00 0.00 H new ATOM 0 HB VAL A 30 8.683 0.752 3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.873 2.632 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.575 1.929 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.330 3.466 3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.209 2.597 2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.768 3.430 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.619 1.868 4.307 1.00 0.00 H new ATOM 339 N LYS A 31 8.266 -0.829 5.763 1.00 0.00 N ATOM 340 CA LYS A 31 8.904 -2.017 6.313 1.00 0.00 C ATOM 341 C LYS A 31 8.727 -3.207 5.372 1.00 0.00 C ATOM 342 O LYS A 31 7.637 -3.440 4.851 1.00 0.00 O ATOM 343 CB LYS A 31 8.325 -2.346 7.691 1.00 0.00 C ATOM 344 CG LYS A 31 6.884 -2.832 7.648 1.00 0.00 C ATOM 345 CD LYS A 31 6.806 -4.325 7.362 1.00 0.00 C ATOM 346 CE LYS A 31 6.302 -5.100 8.568 1.00 0.00 C ATOM 347 NZ LYS A 31 7.418 -5.706 9.347 1.00 0.00 N ATOM 0 H LYS A 31 7.364 -1.003 5.320 1.00 0.00 H new ATOM 0 HA LYS A 31 9.969 -1.813 6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.943 -3.110 8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.381 -1.458 8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.398 -2.617 8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.337 -2.285 6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.144 -4.499 6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.792 -4.694 7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.729 -4.434 9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.623 -5.885 8.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.158 -6.672 9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.275 -5.738 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.602 -5.132 10.195 1.00 0.00 H new ATOM 361 N GLY A 32 9.805 -3.950 5.156 1.00 0.00 N ATOM 362 CA GLY A 32 9.749 -5.100 4.276 1.00 0.00 C ATOM 363 C GLY A 32 9.377 -6.382 4.998 1.00 0.00 C ATOM 364 O GLY A 32 9.645 -6.532 6.190 1.00 0.00 O ATOM 0 H GLY A 32 10.718 -3.776 5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.023 -4.911 3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.718 -5.229 3.794 1.00 0.00 H new ATOM 368 N ASN A 33 8.764 -7.310 4.268 1.00 0.00 N ATOM 369 CA ASN A 33 8.359 -8.590 4.837 1.00 0.00 C ATOM 370 C ASN A 33 9.023 -9.746 4.100 1.00 0.00 C ATOM 371 O ASN A 33 9.539 -9.575 2.995 1.00 0.00 O ATOM 372 CB ASN A 33 6.838 -8.745 4.780 1.00 0.00 C ATOM 373 CG ASN A 33 6.120 -7.739 5.657 1.00 0.00 C ATOM 374 OD1 ASN A 33 6.676 -7.244 6.637 1.00 0.00 O ATOM 375 ND2 ASN A 33 4.876 -7.431 5.307 1.00 0.00 N ATOM 0 H ASN A 33 8.537 -7.198 3.280 1.00 0.00 H new ATOM 0 HA ASN A 33 8.680 -8.610 5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.502 -8.629 3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.567 -9.754 5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.342 -6.759 5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.455 -7.866 4.486 1.00 0.00 H new ATOM 382 N ARG A 34 9.005 -10.919 4.717 1.00 0.00 N ATOM 383 CA ARG A 34 9.605 -12.106 4.120 1.00 0.00 C ATOM 384 C ARG A 34 8.544 -13.167 3.843 1.00 0.00 C ATOM 385 O ARG A 34 7.521 -13.231 4.527 1.00 0.00 O ATOM 386 CB ARG A 34 10.686 -12.671 5.044 1.00 0.00 C ATOM 387 CG ARG A 34 12.025 -12.891 4.355 1.00 0.00 C ATOM 388 CD ARG A 34 13.031 -13.544 5.289 1.00 0.00 C ATOM 389 NE ARG A 34 14.241 -12.738 5.439 1.00 0.00 N ATOM 390 CZ ARG A 34 15.098 -12.868 6.451 1.00 0.00 C ATOM 391 NH1 ARG A 34 14.882 -13.769 7.402 1.00 0.00 N ATOM 392 NH2 ARG A 34 16.173 -12.095 6.511 1.00 0.00 N ATOM 0 H ARG A 34 8.581 -11.075 5.632 1.00 0.00 H new ATOM 0 HA ARG A 34 10.061 -11.821 3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.827 -11.990 5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.340 -13.618 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.884 -13.518 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.417 -11.936 4.006 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.573 -13.696 6.266 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.297 -14.529 4.905 1.00 0.00 H new ATOM 0 HE ARG A 34 14.441 -12.035 4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.056 -14.366 7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.542 -13.864 8.174 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.344 -11.401 5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.830 -12.194 7.285 1.00 0.00 H new ATOM 406 N SER A 35 8.793 -13.995 2.835 1.00 0.00 N ATOM 407 CA SER A 35 7.861 -15.055 2.461 1.00 0.00 C ATOM 408 C SER A 35 7.484 -15.910 3.668 1.00 0.00 C ATOM 409 O SER A 35 8.108 -15.818 4.724 1.00 0.00 O ATOM 410 CB SER A 35 8.471 -15.936 1.369 1.00 0.00 C ATOM 411 OG SER A 35 7.467 -16.460 0.517 1.00 0.00 O ATOM 0 H SER A 35 9.634 -13.953 2.260 1.00 0.00 H new ATOM 0 HA SER A 35 6.955 -14.585 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.182 -15.354 0.783 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.028 -16.754 1.826 1.00 0.00 H new ATOM 0 HG SER A 35 7.782 -16.441 -0.411 1.00 0.00 H new ATOM 417 N LYS A 36 6.458 -16.737 3.501 1.00 0.00 N ATOM 418 CA LYS A 36 5.993 -17.607 4.576 1.00 0.00 C ATOM 419 C LYS A 36 7.033 -18.671 4.910 1.00 0.00 C ATOM 420 O LYS A 36 7.466 -18.795 6.055 1.00 0.00 O ATOM 421 CB LYS A 36 4.673 -18.274 4.184 1.00 0.00 C ATOM 422 CG LYS A 36 3.675 -17.320 3.546 1.00 0.00 C ATOM 423 CD LYS A 36 2.304 -17.428 4.193 1.00 0.00 C ATOM 424 CE LYS A 36 2.153 -16.450 5.347 1.00 0.00 C ATOM 425 NZ LYS A 36 0.835 -15.758 5.321 1.00 0.00 N ATOM 0 H LYS A 36 5.932 -16.824 2.631 1.00 0.00 H new ATOM 0 HA LYS A 36 5.835 -16.992 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.879 -19.089 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.222 -18.718 5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.040 -16.297 3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.593 -17.537 2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.533 -17.234 3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.150 -18.445 4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.264 -16.983 6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.952 -15.710 5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.595 -15.433 6.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.885 -14.940 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.104 -16.417 4.985 1.00 0.00 H new ATOM 439 N GLU A 37 7.423 -19.437 3.900 1.00 0.00 N ATOM 440 CA GLU A 37 8.409 -20.497 4.080 1.00 0.00 C ATOM 441 C GLU A 37 9.665 -20.222 3.258 1.00 0.00 C ATOM 442 O GLU A 37 10.781 -20.489 3.705 1.00 0.00 O ATOM 443 CB GLU A 37 7.813 -21.850 3.686 1.00 0.00 C ATOM 444 CG GLU A 37 8.216 -22.986 4.610 1.00 0.00 C ATOM 445 CD GLU A 37 7.762 -24.340 4.104 1.00 0.00 C ATOM 446 OE1 GLU A 37 6.841 -24.381 3.260 1.00 0.00 O ATOM 447 OE2 GLU A 37 8.326 -25.361 4.551 1.00 0.00 O ATOM 0 H GLU A 37 7.072 -19.345 2.947 1.00 0.00 H new ATOM 0 HA GLU A 37 8.687 -20.523 5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.726 -21.769 3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.124 -22.092 2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.300 -22.990 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.793 -22.812 5.599 1.00 0.00 H new ATOM 454 N ASN A 38 9.475 -19.690 2.055 1.00 0.00 N ATOM 455 CA ASN A 38 10.593 -19.381 1.169 1.00 0.00 C ATOM 456 C ASN A 38 11.609 -18.471 1.858 1.00 0.00 C ATOM 457 O ASN A 38 12.783 -18.449 1.492 1.00 0.00 O ATOM 458 CB ASN A 38 10.085 -18.717 -0.112 1.00 0.00 C ATOM 459 CG ASN A 38 9.543 -19.722 -1.107 1.00 0.00 C ATOM 460 OD1 ASN A 38 10.084 -20.817 -1.259 1.00 0.00 O ATOM 461 ND2 ASN A 38 8.468 -19.354 -1.794 1.00 0.00 N ATOM 0 H ASN A 38 8.558 -19.464 1.671 1.00 0.00 H new ATOM 0 HA ASN A 38 11.089 -20.318 0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.303 -18.000 0.139 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.897 -18.155 -0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.059 -19.989 -2.479 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.051 -18.436 -1.636 1.00 0.00 H new ATOM 468 N HIS A 39 11.149 -17.721 2.854 1.00 0.00 N ATOM 469 CA HIS A 39 12.021 -16.810 3.588 1.00 0.00 C ATOM 470 C HIS A 39 12.614 -15.762 2.655 1.00 0.00 C ATOM 471 O HIS A 39 13.742 -15.309 2.846 1.00 0.00 O ATOM 472 CB HIS A 39 13.142 -17.588 4.280 1.00 0.00 C ATOM 473 CG HIS A 39 12.665 -18.443 5.414 1.00 0.00 C ATOM 474 ND1 HIS A 39 11.980 -17.940 6.501 1.00 0.00 N ATOM 475 CD2 HIS A 39 12.776 -19.776 5.626 1.00 0.00 C ATOM 476 CE1 HIS A 39 11.691 -18.927 7.331 1.00 0.00 C ATOM 477 NE2 HIS A 39 12.163 -20.049 6.823 1.00 0.00 N ATOM 0 H HIS A 39 10.180 -17.726 3.171 1.00 0.00 H new ATOM 0 HA HIS A 39 11.423 -16.302 4.345 1.00 0.00 H new ATOM 0 HB2 HIS A 39 13.643 -18.219 3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 39 13.885 -16.884 4.654 1.00 0.00 H new ATOM 0 HD1 HIS A 39 11.735 -16.960 6.642 1.00 0.00 H new ATOM 0 HD2 HIS A 39 13.257 -20.491 4.975 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.159 -18.831 8.266 1.00 0.00 H new ATOM 486 N ALA A 40 11.843 -15.380 1.640 1.00 0.00 N ATOM 487 CA ALA A 40 12.289 -14.385 0.673 1.00 0.00 C ATOM 488 C ALA A 40 11.551 -13.065 0.867 1.00 0.00 C ATOM 489 O ALA A 40 10.335 -13.046 1.042 1.00 0.00 O ATOM 490 CB ALA A 40 12.080 -14.900 -0.743 1.00 0.00 C ATOM 0 H ALA A 40 10.907 -15.745 1.467 1.00 0.00 H new ATOM 0 HA ALA A 40 13.352 -14.207 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.417 -14.148 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.652 -15.817 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.021 -15.104 -0.903 1.00 0.00 H new ATOM 496 N ASP A 41 12.291 -11.964 0.831 1.00 0.00 N ATOM 497 CA ASP A 41 11.697 -10.644 1.000 1.00 0.00 C ATOM 498 C ASP A 41 10.625 -10.392 -0.058 1.00 0.00 C ATOM 499 O ASP A 41 10.897 -10.458 -1.257 1.00 0.00 O ATOM 500 CB ASP A 41 12.776 -9.563 0.919 1.00 0.00 C ATOM 501 CG ASP A 41 13.822 -9.707 2.006 1.00 0.00 C ATOM 502 OD1 ASP A 41 13.447 -10.035 3.153 1.00 0.00 O ATOM 503 OD2 ASP A 41 15.017 -9.495 1.714 1.00 0.00 O ATOM 0 H ASP A 41 13.301 -11.959 0.687 1.00 0.00 H new ATOM 0 HA ASP A 41 11.228 -10.605 1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.261 -9.610 -0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.309 -8.581 0.996 1.00 0.00 H new ATOM 508 N LEU A 42 9.408 -10.110 0.392 1.00 0.00 N ATOM 509 CA LEU A 42 8.295 -9.856 -0.515 1.00 0.00 C ATOM 510 C LEU A 42 8.301 -8.410 -1.005 1.00 0.00 C ATOM 511 O LEU A 42 7.855 -8.118 -2.114 1.00 0.00 O ATOM 512 CB LEU A 42 6.967 -10.161 0.180 1.00 0.00 C ATOM 513 CG LEU A 42 6.950 -11.447 1.009 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.602 -11.626 1.689 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.271 -12.648 0.130 1.00 0.00 C ATOM 0 H LEU A 42 9.167 -10.051 1.381 1.00 0.00 H new ATOM 0 HA LEU A 42 8.410 -10.511 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.714 -9.324 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.185 -10.224 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 42 7.715 -11.371 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.609 -12.546 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.411 -10.779 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.818 -11.682 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.255 -13.555 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.528 -12.727 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.260 -12.523 -0.310 1.00 0.00 H new ATOM 527 N GLY A 43 8.805 -7.510 -0.168 1.00 0.00 N ATOM 528 CA GLY A 43 8.855 -6.105 -0.529 1.00 0.00 C ATOM 529 C GLY A 43 8.533 -5.205 0.646 1.00 0.00 C ATOM 530 O GLY A 43 8.230 -5.692 1.735 1.00 0.00 O ATOM 0 H GLY A 43 9.180 -7.728 0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.848 -5.864 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.149 -5.913 -1.337 1.00 0.00 H new ATOM 534 N ILE A 44 8.595 -3.895 0.431 1.00 0.00 N ATOM 535 CA ILE A 44 8.304 -2.937 1.493 1.00 0.00 C ATOM 536 C ILE A 44 6.888 -2.389 1.371 1.00 0.00 C ATOM 537 O ILE A 44 6.445 -2.016 0.285 1.00 0.00 O ATOM 538 CB ILE A 44 9.302 -1.759 1.498 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.568 -1.273 0.069 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.601 -2.164 2.186 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.712 -1.988 -0.613 1.00 0.00 C ATOM 0 H ILE A 44 8.843 -3.473 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 44 8.402 -3.481 2.432 1.00 0.00 H new ATOM 0 HB ILE A 44 8.863 -0.934 2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.663 -1.405 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.781 -0.204 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.293 -1.322 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.392 -2.456 3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.048 -3.004 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.841 -1.591 -1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.628 -1.835 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.493 -3.054 -0.669 1.00 0.00 H new ATOM 553 N PHE A 45 6.183 -2.348 2.495 1.00 0.00 N ATOM 554 CA PHE A 45 4.813 -1.850 2.529 1.00 0.00 C ATOM 555 C PHE A 45 4.686 -0.704 3.522 1.00 0.00 C ATOM 556 O PHE A 45 5.318 -0.712 4.579 1.00 0.00 O ATOM 557 CB PHE A 45 3.842 -2.974 2.901 1.00 0.00 C ATOM 558 CG PHE A 45 4.334 -4.348 2.535 1.00 0.00 C ATOM 559 CD1 PHE A 45 5.360 -4.941 3.251 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.775 -5.040 1.473 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.818 -6.200 2.917 1.00 0.00 C ATOM 562 CE2 PHE A 45 4.230 -6.299 1.133 1.00 0.00 C ATOM 563 CZ PHE A 45 5.253 -6.880 1.856 1.00 0.00 C ATOM 0 H PHE A 45 6.540 -2.655 3.400 1.00 0.00 H new ATOM 0 HA PHE A 45 4.560 -1.482 1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.655 -2.939 3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.888 -2.796 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.807 -4.413 4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.974 -4.590 0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.617 -6.653 3.485 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.786 -6.828 0.303 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.611 -7.864 1.592 1.00 0.00 H new ATOM 573 N VAL A 46 3.864 0.282 3.178 1.00 0.00 N ATOM 574 CA VAL A 46 3.656 1.435 4.046 1.00 0.00 C ATOM 575 C VAL A 46 3.197 0.995 5.433 1.00 0.00 C ATOM 576 O VAL A 46 2.046 0.608 5.625 1.00 0.00 O ATOM 577 CB VAL A 46 2.623 2.410 3.450 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.495 3.657 4.316 1.00 0.00 C ATOM 579 CG2 VAL A 46 3.000 2.782 2.025 1.00 0.00 C ATOM 0 H VAL A 46 3.333 0.306 2.308 1.00 0.00 H new ATOM 0 HA VAL A 46 4.613 1.950 4.130 1.00 0.00 H new ATOM 0 HB VAL A 46 1.654 1.911 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.760 4.332 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.173 3.373 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.460 4.160 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.259 3.471 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.980 3.259 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.032 1.882 1.410 1.00 0.00 H new ATOM 589 N LYS A 47 4.114 1.053 6.394 1.00 0.00 N ATOM 590 CA LYS A 47 3.815 0.661 7.765 1.00 0.00 C ATOM 591 C LYS A 47 2.958 1.716 8.450 1.00 0.00 C ATOM 592 O LYS A 47 2.011 1.394 9.168 1.00 0.00 O ATOM 593 CB LYS A 47 5.111 0.449 8.549 1.00 0.00 C ATOM 594 CG LYS A 47 4.887 0.055 9.999 1.00 0.00 C ATOM 595 CD LYS A 47 4.536 -1.418 10.127 1.00 0.00 C ATOM 596 CE LYS A 47 3.456 -1.642 11.172 1.00 0.00 C ATOM 597 NZ LYS A 47 2.182 -0.964 10.810 1.00 0.00 N ATOM 0 H LYS A 47 5.073 1.369 6.247 1.00 0.00 H new ATOM 0 HA LYS A 47 3.258 -0.276 7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.700 -0.325 8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.699 1.366 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.786 0.268 10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.085 0.660 10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.196 -1.798 9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.428 -1.984 10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.278 -2.711 11.286 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.803 -1.272 12.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.880 -0.352 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.326 -0.388 9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.449 -1.678 10.626 1.00 0.00 H new ATOM 611 N SER A 48 3.300 2.979 8.223 1.00 0.00 N ATOM 612 CA SER A 48 2.561 4.085 8.820 1.00 0.00 C ATOM 613 C SER A 48 2.927 5.407 8.155 1.00 0.00 C ATOM 614 O SER A 48 4.100 5.772 8.077 1.00 0.00 O ATOM 615 CB SER A 48 2.839 4.161 10.322 1.00 0.00 C ATOM 616 OG SER A 48 1.673 4.530 11.038 1.00 0.00 O ATOM 0 H SER A 48 4.082 3.262 7.632 1.00 0.00 H new ATOM 0 HA SER A 48 1.498 3.904 8.664 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.198 3.195 10.678 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.631 4.885 10.512 1.00 0.00 H new ATOM 0 HG SER A 48 1.876 4.570 11.996 1.00 0.00 H new ATOM 622 N ILE A 49 1.914 6.118 7.675 1.00 0.00 N ATOM 623 CA ILE A 49 2.126 7.398 7.013 1.00 0.00 C ATOM 624 C ILE A 49 2.084 8.551 8.011 1.00 0.00 C ATOM 625 O ILE A 49 1.081 8.766 8.692 1.00 0.00 O ATOM 626 CB ILE A 49 1.072 7.635 5.910 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.154 6.526 4.863 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.261 9.000 5.258 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.121 6.650 3.766 1.00 0.00 C ATOM 0 H ILE A 49 0.937 5.829 7.732 1.00 0.00 H new ATOM 0 HA ILE A 49 3.115 7.363 6.557 1.00 0.00 H new ATOM 0 HB ILE A 49 0.083 7.617 6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.148 6.533 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.033 5.562 5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.506 9.142 4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.159 9.781 6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.253 9.055 4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.240 5.829 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.878 6.613 4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.255 7.598 3.246 1.00 0.00 H new ATOM 641 N ILE A 50 3.183 9.295 8.084 1.00 0.00 N ATOM 642 CA ILE A 50 3.280 10.435 8.986 1.00 0.00 C ATOM 643 C ILE A 50 2.242 11.493 8.634 1.00 0.00 C ATOM 644 O ILE A 50 2.361 12.169 7.615 1.00 0.00 O ATOM 645 CB ILE A 50 4.686 11.076 8.941 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.710 10.161 9.608 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.686 12.442 9.623 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.767 9.642 8.660 1.00 0.00 C ATOM 0 H ILE A 50 4.021 9.127 7.527 1.00 0.00 H new ATOM 0 HA ILE A 50 3.095 10.061 9.993 1.00 0.00 H new ATOM 0 HB ILE A 50 4.960 11.213 7.895 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.196 10.704 10.419 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.190 9.315 10.058 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.687 12.871 9.578 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.984 13.103 9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.387 12.328 10.665 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.459 8.999 9.204 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.292 9.071 7.863 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.313 10.481 8.229 1.00 0.00 H new ATOM 660 N ASN A 51 1.231 11.635 9.483 1.00 0.00 N ATOM 661 CA ASN A 51 0.183 12.622 9.251 1.00 0.00 C ATOM 662 C ASN A 51 0.749 14.035 9.362 1.00 0.00 C ATOM 663 O ASN A 51 0.517 14.734 10.349 1.00 0.00 O ATOM 664 CB ASN A 51 -0.962 12.434 10.249 1.00 0.00 C ATOM 665 CG ASN A 51 -0.469 12.296 11.675 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.246 11.060 12.105 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -0.290 13.287 12.381 1.00 0.00 N flip ATOM 0 H ASN A 51 1.115 11.083 10.333 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.206 12.478 8.243 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.641 13.284 10.183 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.534 11.547 9.978 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.474 14.219 12.009 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.043 13.177 13.339 1.00 0.00 H new ATOM 674 N GLY A 52 1.498 14.441 8.345 1.00 0.00 N ATOM 675 CA GLY A 52 2.098 15.759 8.337 1.00 0.00 C ATOM 676 C GLY A 52 3.195 15.881 7.296 1.00 0.00 C ATOM 677 O GLY A 52 3.455 16.969 6.785 1.00 0.00 O ATOM 0 H GLY A 52 1.701 13.876 7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.329 16.506 8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.509 15.976 9.323 1.00 0.00 H new ATOM 681 N GLY A 53 3.839 14.759 6.981 1.00 0.00 N ATOM 682 CA GLY A 53 4.903 14.770 5.997 1.00 0.00 C ATOM 683 C GLY A 53 4.390 14.981 4.587 1.00 0.00 C ATOM 684 O GLY A 53 3.196 15.189 4.373 1.00 0.00 O ATOM 0 H GLY A 53 3.642 13.846 7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.613 15.560 6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.447 13.826 6.045 1.00 0.00 H new ATOM 688 N ALA A 54 5.300 14.927 3.625 1.00 0.00 N ATOM 689 CA ALA A 54 4.959 15.116 2.219 1.00 0.00 C ATOM 690 C ALA A 54 3.978 14.062 1.717 1.00 0.00 C ATOM 691 O ALA A 54 3.057 14.370 0.960 1.00 0.00 O ATOM 692 CB ALA A 54 6.223 15.090 1.380 1.00 0.00 C ATOM 0 H ALA A 54 6.291 14.752 3.794 1.00 0.00 H new ATOM 0 HA ALA A 54 4.469 16.085 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.966 15.231 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.889 15.890 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.723 14.130 1.505 1.00 0.00 H new ATOM 698 N ALA A 55 4.188 12.819 2.127 1.00 0.00 N ATOM 699 CA ALA A 55 3.330 11.721 1.702 1.00 0.00 C ATOM 700 C ALA A 55 1.910 11.888 2.220 1.00 0.00 C ATOM 701 O ALA A 55 0.945 11.761 1.469 1.00 0.00 O ATOM 702 CB ALA A 55 3.914 10.395 2.156 1.00 0.00 C ATOM 0 H ALA A 55 4.945 12.545 2.753 1.00 0.00 H new ATOM 0 HA ALA A 55 3.283 11.732 0.613 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.264 9.582 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.904 10.265 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.994 10.386 3.243 1.00 0.00 H new ATOM 708 N SER A 56 1.787 12.182 3.505 1.00 0.00 N ATOM 709 CA SER A 56 0.478 12.375 4.112 1.00 0.00 C ATOM 710 C SER A 56 -0.221 13.576 3.486 1.00 0.00 C ATOM 711 O SER A 56 -1.450 13.628 3.415 1.00 0.00 O ATOM 712 CB SER A 56 0.612 12.576 5.620 1.00 0.00 C ATOM 713 OG SER A 56 -0.549 13.182 6.163 1.00 0.00 O ATOM 0 H SER A 56 2.573 12.292 4.146 1.00 0.00 H new ATOM 0 HA SER A 56 -0.121 11.483 3.931 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.783 11.614 6.104 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.482 13.198 5.830 1.00 0.00 H new ATOM 0 HG SER A 56 -0.307 14.032 6.585 1.00 0.00 H new ATOM 719 N LYS A 57 0.576 14.534 3.027 1.00 0.00 N ATOM 720 CA LYS A 57 0.050 15.736 2.399 1.00 0.00 C ATOM 721 C LYS A 57 -0.446 15.441 0.989 1.00 0.00 C ATOM 722 O LYS A 57 -1.360 16.094 0.488 1.00 0.00 O ATOM 723 CB LYS A 57 1.122 16.806 2.371 1.00 0.00 C ATOM 724 CG LYS A 57 1.333 17.433 3.729 1.00 0.00 C ATOM 725 CD LYS A 57 2.452 18.439 3.697 1.00 0.00 C ATOM 726 CE LYS A 57 1.917 19.835 3.441 1.00 0.00 C ATOM 727 NZ LYS A 57 2.898 20.889 3.820 1.00 0.00 N ATOM 0 H LYS A 57 1.594 14.499 3.079 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.798 16.094 2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.059 16.371 2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.844 17.579 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.413 17.919 4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.560 16.656 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.991 18.420 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.166 18.170 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.664 19.938 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.995 19.979 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.491 21.827 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.120 20.808 4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.769 20.769 3.264 1.00 0.00 H new ATOM 741 N ASP A 58 0.167 14.446 0.356 1.00 0.00 N ATOM 742 CA ASP A 58 -0.205 14.050 -0.997 1.00 0.00 C ATOM 743 C ASP A 58 -1.638 13.535 -1.041 1.00 0.00 C ATOM 744 O ASP A 58 -2.302 13.607 -2.075 1.00 0.00 O ATOM 745 CB ASP A 58 0.744 12.968 -1.509 1.00 0.00 C ATOM 746 CG ASP A 58 1.972 13.553 -2.169 1.00 0.00 C ATOM 747 OD1 ASP A 58 2.957 13.816 -1.453 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.946 13.751 -3.400 1.00 0.00 O ATOM 0 H ASP A 58 0.926 13.898 0.760 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.132 14.929 -1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.048 12.331 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.218 12.333 -2.222 1.00 0.00 H new ATOM 753 N GLY A 59 -2.106 13.006 0.085 1.00 0.00 N ATOM 754 CA GLY A 59 -3.455 12.478 0.146 1.00 0.00 C ATOM 755 C GLY A 59 -3.669 11.332 -0.826 1.00 0.00 C ATOM 756 O GLY A 59 -4.806 11.013 -1.176 1.00 0.00 O ATOM 0 H GLY A 59 -1.576 12.934 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.663 12.136 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.165 13.275 -0.073 1.00 0.00 H new ATOM 760 N ARG A 60 -2.575 10.709 -1.261 1.00 0.00 N ATOM 761 CA ARG A 60 -2.652 9.592 -2.195 1.00 0.00 C ATOM 762 C ARG A 60 -2.075 8.326 -1.573 1.00 0.00 C ATOM 763 O ARG A 60 -2.471 7.213 -1.921 1.00 0.00 O ATOM 764 CB ARG A 60 -1.898 9.925 -3.485 1.00 0.00 C ATOM 765 CG ARG A 60 -2.439 11.145 -4.214 1.00 0.00 C ATOM 766 CD ARG A 60 -1.432 11.692 -5.214 1.00 0.00 C ATOM 767 NE ARG A 60 -0.806 12.924 -4.742 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.178 13.790 -5.535 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.067 13.555 -6.836 1.00 0.00 N ATOM 770 NH2 ARG A 60 0.350 14.894 -5.024 1.00 0.00 N ATOM 0 H ARG A 60 -1.627 10.960 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.702 9.418 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.847 10.091 -3.248 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.942 9.065 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.361 10.881 -4.732 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.691 11.920 -3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.663 10.943 -5.400 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.931 11.880 -6.165 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.853 13.134 -3.745 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.464 12.705 -7.236 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.416 14.224 -7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.275 15.080 -4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.831 15.558 -5.631 1.00 0.00 H new ATOM 784 N LEU A 61 -1.132 8.502 -0.653 1.00 0.00 N ATOM 785 CA LEU A 61 -0.495 7.375 0.014 1.00 0.00 C ATOM 786 C LEU A 61 -1.469 6.659 0.941 1.00 0.00 C ATOM 787 O LEU A 61 -2.385 7.268 1.494 1.00 0.00 O ATOM 788 CB LEU A 61 0.727 7.847 0.802 1.00 0.00 C ATOM 789 CG LEU A 61 2.017 7.910 -0.009 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.375 9.351 -0.344 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.158 7.231 0.735 1.00 0.00 C ATOM 0 H LEU A 61 -0.793 9.416 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.175 6.669 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.521 8.837 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.878 7.178 1.649 1.00 0.00 H new ATOM 0 HG LEU A 61 1.855 7.374 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.299 9.371 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.571 9.799 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.512 9.916 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.068 7.289 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.319 7.732 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.906 6.185 0.912 1.00 0.00 H new ATOM 803 N ARG A 62 -1.260 5.358 1.103 1.00 0.00 N ATOM 804 CA ARG A 62 -2.111 4.543 1.959 1.00 0.00 C ATOM 805 C ARG A 62 -1.306 3.428 2.615 1.00 0.00 C ATOM 806 O ARG A 62 -0.594 2.685 1.940 1.00 0.00 O ATOM 807 CB ARG A 62 -3.256 3.951 1.146 1.00 0.00 C ATOM 808 CG ARG A 62 -4.379 4.939 0.896 1.00 0.00 C ATOM 809 CD ARG A 62 -5.452 4.337 0.013 1.00 0.00 C ATOM 810 NE ARG A 62 -4.998 4.188 -1.368 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.993 5.178 -2.259 1.00 0.00 C ATOM 812 NH1 ARG A 62 -5.420 6.387 -1.921 1.00 0.00 N ATOM 813 NH2 ARG A 62 -4.558 4.956 -3.490 1.00 0.00 N ATOM 0 H ARG A 62 -0.505 4.844 0.650 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.521 5.179 2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.870 3.598 0.189 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.654 3.082 1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.816 5.245 1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.979 5.837 0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.743 3.363 0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.340 4.969 0.038 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.665 3.271 -1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.755 6.563 -0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.413 7.141 -2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.228 4.028 -3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.554 5.713 -4.174 1.00 0.00 H new ATOM 827 N VAL A 63 -1.419 3.316 3.934 1.00 0.00 N ATOM 828 CA VAL A 63 -0.697 2.289 4.676 1.00 0.00 C ATOM 829 C VAL A 63 -1.002 0.898 4.125 1.00 0.00 C ATOM 830 O VAL A 63 -2.123 0.622 3.700 1.00 0.00 O ATOM 831 CB VAL A 63 -1.037 2.339 6.179 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.216 1.317 6.953 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.803 3.738 6.726 1.00 0.00 C ATOM 0 H VAL A 63 -2.002 3.922 4.510 1.00 0.00 H new ATOM 0 HA VAL A 63 0.367 2.492 4.554 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.091 2.089 6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.472 1.370 8.011 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.432 0.317 6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.845 1.531 6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.047 3.759 7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.243 4.012 6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.437 4.447 6.194 1.00 0.00 H new ATOM 843 N ASN A 64 0.014 0.031 4.129 1.00 0.00 N ATOM 844 CA ASN A 64 -0.115 -1.340 3.627 1.00 0.00 C ATOM 845 C ASN A 64 0.102 -1.396 2.116 1.00 0.00 C ATOM 846 O ASN A 64 -0.139 -2.426 1.485 1.00 0.00 O ATOM 847 CB ASN A 64 -1.482 -1.940 3.981 1.00 0.00 C ATOM 848 CG ASN A 64 -1.897 -1.635 5.407 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.181 -1.957 6.357 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.061 -1.016 5.567 1.00 0.00 N ATOM 0 H ASN A 64 0.945 0.258 4.478 1.00 0.00 H new ATOM 0 HA ASN A 64 0.658 -1.934 4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.235 -1.551 3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.449 -3.020 3.838 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.393 -0.789 6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.623 -0.767 4.753 1.00 0.00 H new ATOM 857 N ASP A 65 0.571 -0.291 1.541 1.00 0.00 N ATOM 858 CA ASP A 65 0.831 -0.228 0.108 1.00 0.00 C ATOM 859 C ASP A 65 2.253 -0.688 -0.195 1.00 0.00 C ATOM 860 O ASP A 65 3.222 -0.060 0.228 1.00 0.00 O ATOM 861 CB ASP A 65 0.620 1.197 -0.408 1.00 0.00 C ATOM 862 CG ASP A 65 -0.837 1.497 -0.697 1.00 0.00 C ATOM 863 OD1 ASP A 65 -1.710 0.802 -0.137 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.107 2.429 -1.485 1.00 0.00 O ATOM 0 H ASP A 65 0.778 0.571 2.046 1.00 0.00 H new ATOM 0 HA ASP A 65 0.132 -0.893 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.995 1.907 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.205 1.342 -1.316 1.00 0.00 H new ATOM 869 N GLN A 66 2.369 -1.792 -0.925 1.00 0.00 N ATOM 870 CA GLN A 66 3.671 -2.340 -1.278 1.00 0.00 C ATOM 871 C GLN A 66 4.328 -1.515 -2.380 1.00 0.00 C ATOM 872 O GLN A 66 3.757 -1.329 -3.454 1.00 0.00 O ATOM 873 CB GLN A 66 3.525 -3.794 -1.727 1.00 0.00 C ATOM 874 CG GLN A 66 4.814 -4.592 -1.634 1.00 0.00 C ATOM 875 CD GLN A 66 5.571 -4.633 -2.947 1.00 0.00 C ATOM 876 OE1 GLN A 66 6.879 -4.421 -2.883 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 4.985 -4.852 -4.007 1.00 0.00 N flip ATOM 0 H GLN A 66 1.576 -2.324 -1.283 1.00 0.00 H new ATOM 0 HA GLN A 66 4.309 -2.301 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.763 -4.279 -1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.169 -3.813 -2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.452 -4.157 -0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.585 -5.610 -1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.977 -5.010 -4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.507 -4.876 -4.883 1.00 0.00 H new ATOM 886 N LEU A 67 5.529 -1.020 -2.101 1.00 0.00 N ATOM 887 CA LEU A 67 6.266 -0.211 -3.063 1.00 0.00 C ATOM 888 C LEU A 67 6.860 -1.074 -4.170 1.00 0.00 C ATOM 889 O LEU A 67 7.457 -2.118 -3.906 1.00 0.00 O ATOM 890 CB LEU A 67 7.373 0.572 -2.360 1.00 0.00 C ATOM 891 CG LEU A 67 6.929 1.330 -1.108 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.117 1.600 -0.198 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.238 2.633 -1.492 1.00 0.00 C ATOM 0 H LEU A 67 6.013 -1.166 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 67 5.565 0.490 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.169 -0.120 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.799 1.284 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 67 6.216 0.711 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.782 2.140 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.567 0.654 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.855 2.200 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.928 3.160 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.929 3.258 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.362 2.414 -2.103 1.00 0.00 H new ATOM 905 N ILE A 68 6.692 -0.626 -5.407 1.00 0.00 N ATOM 906 CA ILE A 68 7.208 -1.346 -6.563 1.00 0.00 C ATOM 907 C ILE A 68 8.297 -0.548 -7.271 1.00 0.00 C ATOM 908 O ILE A 68 9.186 -1.119 -7.902 1.00 0.00 O ATOM 909 CB ILE A 68 6.086 -1.665 -7.573 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.855 -2.211 -6.849 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.579 -2.658 -8.615 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.629 -2.306 -7.730 1.00 0.00 C ATOM 0 H ILE A 68 6.200 0.237 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 68 7.630 -2.279 -6.189 1.00 0.00 H new ATOM 0 HB ILE A 68 5.804 -0.743 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.085 -3.200 -6.453 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.631 -1.570 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.777 -2.873 -9.321 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.428 -2.233 -9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.886 -3.580 -8.122 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.794 -2.701 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.373 -1.315 -8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.835 -2.970 -8.569 1.00 0.00 H new ATOM 924 N ALA A 69 8.224 0.777 -7.163 1.00 0.00 N ATOM 925 CA ALA A 69 9.208 1.646 -7.797 1.00 0.00 C ATOM 926 C ALA A 69 9.244 3.015 -7.127 1.00 0.00 C ATOM 927 O ALA A 69 8.353 3.360 -6.351 1.00 0.00 O ATOM 928 CB ALA A 69 8.906 1.790 -9.282 1.00 0.00 C ATOM 0 H ALA A 69 7.496 1.269 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 69 10.190 1.188 -7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.649 2.441 -9.743 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.939 0.809 -9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.914 2.222 -9.411 1.00 0.00 H new ATOM 934 N VAL A 70 10.280 3.788 -7.429 1.00 0.00 N ATOM 935 CA VAL A 70 10.432 5.119 -6.853 1.00 0.00 C ATOM 936 C VAL A 70 11.260 6.019 -7.766 1.00 0.00 C ATOM 937 O VAL A 70 12.372 5.668 -8.156 1.00 0.00 O ATOM 938 CB VAL A 70 11.093 5.050 -5.463 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.530 4.558 -5.569 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.033 6.405 -4.775 1.00 0.00 C ATOM 0 H VAL A 70 11.027 3.517 -8.069 1.00 0.00 H new ATOM 0 HA VAL A 70 9.433 5.543 -6.748 1.00 0.00 H new ATOM 0 HB VAL A 70 10.538 4.335 -4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.975 4.518 -4.575 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.542 3.562 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.103 5.241 -6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.505 6.337 -3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.559 7.144 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.992 6.707 -4.657 1.00 0.00 H new ATOM 950 N ASN A 71 10.709 7.180 -8.109 1.00 0.00 N ATOM 951 CA ASN A 71 11.396 8.128 -8.981 1.00 0.00 C ATOM 952 C ASN A 71 11.724 7.493 -10.332 1.00 0.00 C ATOM 953 O ASN A 71 12.606 7.965 -11.051 1.00 0.00 O ATOM 954 CB ASN A 71 12.684 8.625 -8.321 1.00 0.00 C ATOM 955 CG ASN A 71 12.417 9.496 -7.109 1.00 0.00 C ATOM 956 OD1 ASN A 71 12.076 10.673 -7.238 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.573 8.920 -5.924 1.00 0.00 N ATOM 0 H ASN A 71 9.788 7.487 -7.796 1.00 0.00 H new ATOM 0 HA ASN A 71 10.727 8.973 -9.146 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.289 7.769 -8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.267 9.190 -9.049 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.409 9.455 -5.071 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.857 7.942 -5.866 1.00 0.00 H new ATOM 964 N GLY A 72 11.017 6.417 -10.666 1.00 0.00 N ATOM 965 CA GLY A 72 11.256 5.734 -11.923 1.00 0.00 C ATOM 966 C GLY A 72 12.296 4.641 -11.785 1.00 0.00 C ATOM 967 O GLY A 72 12.999 4.315 -12.742 1.00 0.00 O ATOM 0 H GLY A 72 10.283 6.007 -10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.323 5.303 -12.285 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.585 6.455 -12.671 1.00 0.00 H new ATOM 971 N GLU A 73 12.397 4.079 -10.585 1.00 0.00 N ATOM 972 CA GLU A 73 13.361 3.022 -10.313 1.00 0.00 C ATOM 973 C GLU A 73 12.678 1.821 -9.667 1.00 0.00 C ATOM 974 O GLU A 73 12.388 1.828 -8.471 1.00 0.00 O ATOM 975 CB GLU A 73 14.481 3.535 -9.397 1.00 0.00 C ATOM 976 CG GLU A 73 14.767 5.025 -9.542 1.00 0.00 C ATOM 977 CD GLU A 73 16.230 5.314 -9.823 1.00 0.00 C ATOM 978 OE1 GLU A 73 16.773 4.739 -10.790 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.832 6.114 -9.076 1.00 0.00 O ATOM 0 H GLU A 73 11.821 4.340 -9.784 1.00 0.00 H new ATOM 0 HA GLU A 73 13.795 2.711 -11.263 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.214 3.326 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.394 2.978 -9.609 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.159 5.431 -10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.468 5.539 -8.629 1.00 0.00 H new ATOM 986 N SER A 74 12.423 0.790 -10.467 1.00 0.00 N ATOM 987 CA SER A 74 11.772 -0.418 -9.973 1.00 0.00 C ATOM 988 C SER A 74 12.673 -1.155 -8.988 1.00 0.00 C ATOM 989 O SER A 74 13.860 -1.357 -9.247 1.00 0.00 O ATOM 990 CB SER A 74 11.408 -1.339 -11.138 1.00 0.00 C ATOM 991 OG SER A 74 10.650 -2.451 -10.693 1.00 0.00 O ATOM 0 H SER A 74 12.657 0.767 -11.459 1.00 0.00 H new ATOM 0 HA SER A 74 10.860 -0.124 -9.454 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.839 -0.782 -11.882 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.317 -1.688 -11.628 1.00 0.00 H new ATOM 0 HG SER A 74 10.429 -3.023 -11.457 1.00 0.00 H new ATOM 997 N LEU A 75 12.101 -1.559 -7.858 1.00 0.00 N ATOM 998 CA LEU A 75 12.853 -2.275 -6.835 1.00 0.00 C ATOM 999 C LEU A 75 12.721 -3.788 -7.006 1.00 0.00 C ATOM 1000 O LEU A 75 13.443 -4.557 -6.369 1.00 0.00 O ATOM 1001 CB LEU A 75 12.373 -1.870 -5.440 1.00 0.00 C ATOM 1002 CG LEU A 75 12.151 -0.370 -5.241 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.922 -0.121 -4.379 1.00 0.00 C ATOM 1004 CD2 LEU A 75 13.380 0.273 -4.617 1.00 0.00 C ATOM 0 H LEU A 75 11.120 -1.403 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 75 13.903 -2.007 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.439 -2.391 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.103 -2.214 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 75 11.983 0.085 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.780 0.952 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.044 -0.546 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.060 -0.590 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.204 1.340 -4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.579 -0.186 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.239 0.127 -5.272 1.00 0.00 H new ATOM 1016 N LEU A 76 11.795 -4.214 -7.865 1.00 0.00 N ATOM 1017 CA LEU A 76 11.576 -5.636 -8.112 1.00 0.00 C ATOM 1018 C LEU A 76 12.876 -6.332 -8.510 1.00 0.00 C ATOM 1019 O LEU A 76 13.228 -6.385 -9.689 1.00 0.00 O ATOM 1020 CB LEU A 76 10.523 -5.829 -9.205 1.00 0.00 C ATOM 1021 CG LEU A 76 9.072 -5.797 -8.718 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.126 -5.536 -9.880 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.715 -7.101 -8.020 1.00 0.00 C ATOM 0 H LEU A 76 11.186 -3.595 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 76 11.217 -6.086 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.655 -5.051 -9.957 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.704 -6.784 -9.698 1.00 0.00 H new ATOM 0 HG LEU A 76 8.967 -4.984 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.099 -5.517 -9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.367 -4.576 -10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.233 -6.328 -10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.680 -7.060 -7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.836 -7.931 -8.716 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.373 -7.247 -7.163 1.00 0.00 H new ATOM 1035 N GLY A 77 13.584 -6.860 -7.517 1.00 0.00 N ATOM 1036 CA GLY A 77 14.838 -7.542 -7.777 1.00 0.00 C ATOM 1037 C GLY A 77 15.794 -7.452 -6.605 1.00 0.00 C ATOM 1038 O GLY A 77 16.617 -8.344 -6.393 1.00 0.00 O ATOM 0 H GLY A 77 13.311 -6.827 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.640 -8.590 -8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.308 -7.110 -8.661 1.00 0.00 H new ATOM 1042 N LYS A 78 15.683 -6.372 -5.839 1.00 0.00 N ATOM 1043 CA LYS A 78 16.539 -6.162 -4.677 1.00 0.00 C ATOM 1044 C LYS A 78 15.783 -6.435 -3.390 1.00 0.00 C ATOM 1045 O LYS A 78 14.562 -6.288 -3.324 1.00 0.00 O ATOM 1046 CB LYS A 78 17.086 -4.734 -4.667 1.00 0.00 C ATOM 1047 CG LYS A 78 16.004 -3.668 -4.603 1.00 0.00 C ATOM 1048 CD LYS A 78 16.599 -2.269 -4.554 1.00 0.00 C ATOM 1049 CE LYS A 78 17.283 -1.906 -5.862 1.00 0.00 C ATOM 1050 NZ LYS A 78 16.388 -1.129 -6.762 1.00 0.00 N ATOM 0 H LYS A 78 15.006 -5.626 -6.003 1.00 0.00 H new ATOM 0 HA LYS A 78 17.373 -6.861 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.752 -4.615 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.686 -4.577 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.353 -3.757 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.383 -3.831 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.812 -1.545 -4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.318 -2.207 -3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.180 -1.324 -5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.604 -2.816 -6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.161 -1.698 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.510 -0.891 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.866 -0.253 -7.056 1.00 0.00 H new ATOM 1064 N ALA A 79 16.523 -6.836 -2.367 1.00 0.00 N ATOM 1065 CA ALA A 79 15.943 -7.136 -1.068 1.00 0.00 C ATOM 1066 C ALA A 79 15.093 -5.975 -0.565 1.00 0.00 C ATOM 1067 O ALA A 79 15.359 -4.815 -0.880 1.00 0.00 O ATOM 1068 CB ALA A 79 17.051 -7.457 -0.084 1.00 0.00 C ATOM 0 H ALA A 79 17.534 -6.962 -2.413 1.00 0.00 H new ATOM 0 HA ALA A 79 15.288 -8.002 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.618 -7.682 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.614 -8.320 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.718 -6.600 0.005 1.00 0.00 H new ATOM 1074 N ASN A 80 14.063 -6.293 0.215 1.00 0.00 N ATOM 1075 CA ASN A 80 13.171 -5.273 0.754 1.00 0.00 C ATOM 1076 C ASN A 80 13.954 -4.180 1.476 1.00 0.00 C ATOM 1077 O ASN A 80 13.537 -3.021 1.506 1.00 0.00 O ATOM 1078 CB ASN A 80 12.147 -5.901 1.702 1.00 0.00 C ATOM 1079 CG ASN A 80 12.791 -6.737 2.791 1.00 0.00 C ATOM 1080 OD1 ASN A 80 13.890 -6.437 3.256 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.104 -7.795 3.207 1.00 0.00 N ATOM 0 H ASN A 80 13.827 -7.247 0.487 1.00 0.00 H new ATOM 0 HA ASN A 80 12.643 -4.817 -0.084 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.551 -5.112 2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.462 -6.525 1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.485 -8.395 3.939 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.196 -8.008 2.794 1.00 0.00 H new ATOM 1088 N GLN A 81 15.093 -4.552 2.052 1.00 0.00 N ATOM 1089 CA GLN A 81 15.934 -3.595 2.761 1.00 0.00 C ATOM 1090 C GLN A 81 16.658 -2.690 1.770 1.00 0.00 C ATOM 1091 O GLN A 81 16.811 -1.488 1.995 1.00 0.00 O ATOM 1092 CB GLN A 81 16.945 -4.320 3.651 1.00 0.00 C ATOM 1093 CG GLN A 81 17.676 -5.454 2.952 1.00 0.00 C ATOM 1094 CD GLN A 81 19.097 -5.090 2.580 1.00 0.00 C ATOM 1095 OE1 GLN A 81 19.365 -5.015 1.283 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 19.945 -4.878 3.448 1.00 0.00 N flip ATOM 0 H GLN A 81 15.454 -5.506 2.042 1.00 0.00 H new ATOM 0 HA GLN A 81 15.295 -2.981 3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.677 -3.599 4.016 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.427 -4.718 4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.688 -6.329 3.602 1.00 0.00 H new ATOM 0 HG3 GLN A 81 17.129 -5.733 2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.694 -4.947 4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 81 20.898 -4.633 3.181 1.00 0.00 H new ATOM 1105 N GLU A 82 17.083 -3.279 0.660 1.00 0.00 N ATOM 1106 CA GLU A 82 17.773 -2.538 -0.384 1.00 0.00 C ATOM 1107 C GLU A 82 16.797 -1.607 -1.083 1.00 0.00 C ATOM 1108 O GLU A 82 17.158 -0.511 -1.511 1.00 0.00 O ATOM 1109 CB GLU A 82 18.406 -3.499 -1.392 1.00 0.00 C ATOM 1110 CG GLU A 82 19.902 -3.683 -1.202 1.00 0.00 C ATOM 1111 CD GLU A 82 20.700 -3.301 -2.433 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.285 -2.360 -3.141 1.00 0.00 O ATOM 1113 OE2 GLU A 82 21.741 -3.942 -2.689 1.00 0.00 O ATOM 0 H GLU A 82 16.961 -4.272 0.460 1.00 0.00 H new ATOM 0 HA GLU A 82 18.567 -1.945 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.916 -4.470 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 82 18.219 -3.129 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.234 -3.079 -0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.107 -4.723 -0.950 1.00 0.00 H new ATOM 1120 N ALA A 83 15.552 -2.059 -1.189 1.00 0.00 N ATOM 1121 CA ALA A 83 14.512 -1.273 -1.829 1.00 0.00 C ATOM 1122 C ALA A 83 14.158 -0.057 -0.985 1.00 0.00 C ATOM 1123 O ALA A 83 14.042 1.056 -1.500 1.00 0.00 O ATOM 1124 CB ALA A 83 13.283 -2.131 -2.084 1.00 0.00 C ATOM 0 H ALA A 83 15.242 -2.966 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 83 14.888 -0.918 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.512 -1.528 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.550 -2.964 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.905 -2.516 -1.137 1.00 0.00 H new ATOM 1130 N MET A 84 14.005 -0.269 0.319 1.00 0.00 N ATOM 1131 CA MET A 84 13.685 0.821 1.230 1.00 0.00 C ATOM 1132 C MET A 84 14.821 1.835 1.248 1.00 0.00 C ATOM 1133 O MET A 84 14.598 3.032 1.428 1.00 0.00 O ATOM 1134 CB MET A 84 13.427 0.300 2.642 1.00 0.00 C ATOM 1135 CG MET A 84 14.558 -0.543 3.200 1.00 0.00 C ATOM 1136 SD MET A 84 14.241 -1.089 4.889 1.00 0.00 S ATOM 1137 CE MET A 84 12.488 -1.441 4.801 1.00 0.00 C ATOM 0 H MET A 84 14.097 -1.182 0.765 1.00 0.00 H new ATOM 0 HA MET A 84 12.775 1.305 0.875 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.256 1.147 3.306 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.512 -0.292 2.639 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.707 -1.414 2.562 1.00 0.00 H new ATOM 0 HG3 MET A 84 15.483 0.033 3.175 1.00 0.00 H new ATOM 0 HE1 MET A 84 12.174 -1.955 5.710 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.934 -0.508 4.702 1.00 0.00 H new ATOM 0 HE3 MET A 84 12.287 -2.075 3.938 1.00 0.00 H new ATOM 1147 N GLU A 85 16.040 1.346 1.035 1.00 0.00 N ATOM 1148 CA GLU A 85 17.211 2.210 1.002 1.00 0.00 C ATOM 1149 C GLU A 85 17.279 2.924 -0.342 1.00 0.00 C ATOM 1150 O GLU A 85 17.731 4.067 -0.434 1.00 0.00 O ATOM 1151 CB GLU A 85 18.483 1.387 1.235 1.00 0.00 C ATOM 1152 CG GLU A 85 19.770 2.152 0.967 1.00 0.00 C ATOM 1153 CD GLU A 85 20.077 3.173 2.045 1.00 0.00 C ATOM 1154 OE1 GLU A 85 19.903 2.847 3.239 1.00 0.00 O ATOM 1155 OE2 GLU A 85 20.491 4.299 1.696 1.00 0.00 O ATOM 0 H GLU A 85 16.240 0.357 0.883 1.00 0.00 H new ATOM 0 HA GLU A 85 17.132 2.953 1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.491 1.032 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.456 0.505 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 85 20.598 1.447 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.694 2.657 0.004 1.00 0.00 H new ATOM 1162 N THR A 86 16.818 2.237 -1.380 1.00 0.00 N ATOM 1163 CA THR A 86 16.809 2.784 -2.728 1.00 0.00 C ATOM 1164 C THR A 86 15.780 3.906 -2.844 1.00 0.00 C ATOM 1165 O THR A 86 15.996 4.888 -3.551 1.00 0.00 O ATOM 1166 CB THR A 86 16.515 1.668 -3.739 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.688 0.923 -4.012 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.971 2.162 -5.061 1.00 0.00 C ATOM 0 H THR A 86 16.442 1.291 -1.311 1.00 0.00 H new ATOM 0 HA THR A 86 17.790 3.205 -2.947 1.00 0.00 H new ATOM 0 HB THR A 86 15.748 1.055 -3.265 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.836 0.272 -3.295 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.789 1.313 -5.720 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.036 2.697 -4.893 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.695 2.833 -5.524 1.00 0.00 H new ATOM 1176 N LEU A 87 14.666 3.763 -2.136 1.00 0.00 N ATOM 1177 CA LEU A 87 13.628 4.785 -2.157 1.00 0.00 C ATOM 1178 C LEU A 87 14.046 5.942 -1.262 1.00 0.00 C ATOM 1179 O LEU A 87 13.756 7.105 -1.540 1.00 0.00 O ATOM 1180 CB LEU A 87 12.278 4.216 -1.711 1.00 0.00 C ATOM 1181 CG LEU A 87 12.241 3.624 -0.302 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.217 4.727 0.747 1.00 0.00 C ATOM 1183 CD2 LEU A 87 11.035 2.711 -0.146 1.00 0.00 C ATOM 0 H LEU A 87 14.460 2.957 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 87 13.507 5.143 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.532 5.009 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.979 3.442 -2.418 1.00 0.00 H new ATOM 0 HG LEU A 87 13.146 3.035 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.191 4.282 1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.111 5.343 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.332 5.347 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.021 2.296 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.122 3.282 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.097 1.900 -0.871 1.00 0.00 H new ATOM 1195 N ARG A 88 14.743 5.594 -0.186 1.00 0.00 N ATOM 1196 CA ARG A 88 15.234 6.569 0.773 1.00 0.00 C ATOM 1197 C ARG A 88 16.196 7.552 0.109 1.00 0.00 C ATOM 1198 O ARG A 88 16.046 8.767 0.232 1.00 0.00 O ATOM 1199 CB ARG A 88 15.938 5.840 1.916 1.00 0.00 C ATOM 1200 CG ARG A 88 15.350 6.139 3.284 1.00 0.00 C ATOM 1201 CD ARG A 88 16.299 5.736 4.401 1.00 0.00 C ATOM 1202 NE ARG A 88 16.797 6.892 5.141 1.00 0.00 N ATOM 1203 CZ ARG A 88 17.398 6.811 6.325 1.00 0.00 C ATOM 1204 NH1 ARG A 88 17.578 5.632 6.906 1.00 0.00 N ATOM 1205 NH2 ARG A 88 17.822 7.913 6.931 1.00 0.00 N ATOM 0 H ARG A 88 14.982 4.629 0.043 1.00 0.00 H new ATOM 0 HA ARG A 88 14.388 7.136 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.888 4.766 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.993 6.115 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.128 7.203 3.361 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.405 5.607 3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.786 5.061 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.140 5.185 3.981 1.00 0.00 H new ATOM 0 HE ARG A 88 16.677 7.816 4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.255 4.782 6.445 1.00 0.00 H new ATOM 0 HH12 ARG A 88 18.039 5.576 7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.687 8.822 6.489 1.00 0.00 H new ATOM 0 HH22 ARG A 88 18.283 7.851 7.839 1.00 0.00 H new ATOM 1219 N ARG A 89 17.186 7.013 -0.595 1.00 0.00 N ATOM 1220 CA ARG A 89 18.173 7.836 -1.280 1.00 0.00 C ATOM 1221 C ARG A 89 17.548 8.511 -2.501 1.00 0.00 C ATOM 1222 O ARG A 89 17.904 9.634 -2.849 1.00 0.00 O ATOM 1223 CB ARG A 89 19.399 6.982 -1.658 1.00 0.00 C ATOM 1224 CG ARG A 89 19.647 6.824 -3.150 1.00 0.00 C ATOM 1225 CD ARG A 89 18.773 5.728 -3.727 1.00 0.00 C ATOM 1226 NE ARG A 89 18.780 5.726 -5.186 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.734 5.161 -5.924 1.00 0.00 C ATOM 1228 NH1 ARG A 89 20.765 4.562 -5.342 1.00 0.00 N ATOM 1229 NH2 ARG A 89 19.657 5.199 -7.246 1.00 0.00 N ATOM 0 H ARG A 89 17.325 6.009 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 89 18.513 8.627 -0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.285 7.427 -1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.280 5.991 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.441 7.766 -3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.697 6.589 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.119 4.761 -3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.751 5.856 -3.371 1.00 0.00 H new ATOM 0 HE ARG A 89 18.008 6.185 -5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 89 20.830 4.533 -4.324 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.493 4.131 -5.912 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.868 5.661 -7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.387 4.767 -7.812 1.00 0.00 H new ATOM 1243 N SER A 90 16.609 7.825 -3.139 1.00 0.00 N ATOM 1244 CA SER A 90 15.938 8.370 -4.310 1.00 0.00 C ATOM 1245 C SER A 90 14.988 9.490 -3.907 1.00 0.00 C ATOM 1246 O SER A 90 14.740 10.416 -4.675 1.00 0.00 O ATOM 1247 CB SER A 90 15.171 7.270 -5.046 1.00 0.00 C ATOM 1248 OG SER A 90 14.034 6.860 -4.307 1.00 0.00 O ATOM 0 H SER A 90 16.296 6.893 -2.866 1.00 0.00 H new ATOM 0 HA SER A 90 16.695 8.778 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.861 7.632 -6.026 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.827 6.416 -5.215 1.00 0.00 H new ATOM 0 HG SER A 90 14.105 7.190 -3.387 1.00 0.00 H new ATOM 1254 N MET A 91 14.454 9.394 -2.693 1.00 0.00 N ATOM 1255 CA MET A 91 13.528 10.395 -2.182 1.00 0.00 C ATOM 1256 C MET A 91 14.271 11.567 -1.548 1.00 0.00 C ATOM 1257 O MET A 91 13.728 12.663 -1.430 1.00 0.00 O ATOM 1258 CB MET A 91 12.575 9.768 -1.163 1.00 0.00 C ATOM 1259 CG MET A 91 13.210 9.467 0.187 1.00 0.00 C ATOM 1260 SD MET A 91 11.991 9.074 1.456 1.00 0.00 S ATOM 1261 CE MET A 91 10.714 8.298 0.469 1.00 0.00 C ATOM 0 H MET A 91 14.648 8.631 -2.045 1.00 0.00 H new ATOM 0 HA MET A 91 12.951 10.775 -3.025 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.730 10.440 -1.012 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.176 8.842 -1.578 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.901 8.630 0.081 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.798 10.327 0.507 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.929 7.919 1.123 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.291 9.030 -0.219 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.144 7.473 -0.098 1.00 0.00 H new ATOM 1271 N SER A 92 15.509 11.327 -1.123 1.00 0.00 N ATOM 1272 CA SER A 92 16.303 12.374 -0.482 1.00 0.00 C ATOM 1273 C SER A 92 17.560 12.711 -1.279 1.00 0.00 C ATOM 1274 O SER A 92 18.557 13.155 -0.711 1.00 0.00 O ATOM 1275 CB SER A 92 16.688 11.946 0.934 1.00 0.00 C ATOM 1276 OG SER A 92 15.735 12.400 1.880 1.00 0.00 O ATOM 0 H SER A 92 15.981 10.427 -1.209 1.00 0.00 H new ATOM 0 HA SER A 92 15.686 13.272 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.763 10.860 0.981 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.671 12.345 1.183 1.00 0.00 H new ATOM 0 HG SER A 92 16.003 12.112 2.778 1.00 0.00 H new ATOM 1282 N THR A 93 17.520 12.498 -2.592 1.00 0.00 N ATOM 1283 CA THR A 93 18.675 12.789 -3.433 1.00 0.00 C ATOM 1284 C THR A 93 18.281 13.025 -4.892 1.00 0.00 C ATOM 1285 O THR A 93 18.937 13.791 -5.598 1.00 0.00 O ATOM 1286 CB THR A 93 19.691 11.649 -3.320 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.993 12.156 -3.089 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.760 10.748 -4.537 1.00 0.00 C ATOM 0 H THR A 93 16.710 12.129 -3.091 1.00 0.00 H new ATOM 0 HA THR A 93 19.128 13.715 -3.078 1.00 0.00 H new ATOM 0 HB THR A 93 19.336 11.051 -2.480 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.626 11.411 -3.018 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.504 9.969 -4.371 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.786 10.289 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.040 11.337 -5.410 1.00 0.00 H new ATOM 1296 N GLU A 94 17.227 12.358 -5.345 1.00 0.00 N ATOM 1297 CA GLU A 94 16.776 12.502 -6.726 1.00 0.00 C ATOM 1298 C GLU A 94 15.385 13.117 -6.798 1.00 0.00 C ATOM 1299 O GLU A 94 15.138 14.030 -7.585 1.00 0.00 O ATOM 1300 CB GLU A 94 16.786 11.145 -7.427 1.00 0.00 C ATOM 1301 CG GLU A 94 18.052 10.349 -7.167 1.00 0.00 C ATOM 1302 CD GLU A 94 18.467 9.507 -8.358 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.581 8.899 -8.993 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.679 9.455 -8.654 1.00 0.00 O ATOM 0 H GLU A 94 16.670 11.715 -4.781 1.00 0.00 H new ATOM 0 HA GLU A 94 17.467 13.175 -7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.925 10.565 -7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.673 11.297 -8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.861 11.033 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.898 9.701 -6.304 1.00 0.00 H new ATOM 1311 N GLY A 95 14.483 12.617 -5.969 1.00 0.00 N ATOM 1312 CA GLY A 95 13.129 13.135 -5.951 1.00 0.00 C ATOM 1313 C GLY A 95 13.061 14.511 -5.326 1.00 0.00 C ATOM 1314 O GLY A 95 12.243 15.343 -5.717 1.00 0.00 O ATOM 0 H GLY A 95 14.663 11.862 -5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.743 13.179 -6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.486 12.452 -5.396 1.00 0.00 H new ATOM 1318 N ASN A 96 13.935 14.749 -4.356 1.00 0.00 N ATOM 1319 CA ASN A 96 13.987 16.033 -3.674 1.00 0.00 C ATOM 1320 C ASN A 96 14.602 17.091 -4.590 1.00 0.00 C ATOM 1321 O ASN A 96 14.231 18.263 -4.534 1.00 0.00 O ATOM 1322 CB ASN A 96 14.782 15.897 -2.369 1.00 0.00 C ATOM 1323 CG ASN A 96 15.425 17.196 -1.921 1.00 0.00 C ATOM 1324 OD1 ASN A 96 14.684 18.288 -2.039 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 16.572 17.216 -1.476 1.00 0.00 N flip ATOM 0 H ASN A 96 14.618 14.068 -4.025 1.00 0.00 H new ATOM 0 HA ASN A 96 12.975 16.352 -3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.118 15.538 -1.583 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.557 15.142 -2.501 1.00 0.00 H new ATOM 0 HD21 ASN A 96 17.106 16.350 -1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.989 18.099 -1.180 1.00 0.00 H new ATOM 1332 N LYS A 97 15.538 16.663 -5.437 1.00 0.00 N ATOM 1333 CA LYS A 97 16.204 17.566 -6.378 1.00 0.00 C ATOM 1334 C LYS A 97 15.214 18.546 -6.999 1.00 0.00 C ATOM 1335 O LYS A 97 15.497 19.736 -7.132 1.00 0.00 O ATOM 1336 CB LYS A 97 16.905 16.766 -7.462 1.00 0.00 C ATOM 1337 CG LYS A 97 18.275 16.290 -7.028 1.00 0.00 C ATOM 1338 CD LYS A 97 18.917 15.426 -8.086 1.00 0.00 C ATOM 1339 CE LYS A 97 19.174 16.213 -9.357 1.00 0.00 C ATOM 1340 NZ LYS A 97 20.125 15.513 -10.265 1.00 0.00 N ATOM 0 H LYS A 97 15.853 15.694 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 97 16.945 18.144 -5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.292 15.906 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.003 17.379 -8.358 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.912 17.150 -6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.189 15.727 -6.099 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.857 15.023 -7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.271 14.576 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.231 16.378 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.573 17.194 -9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.273 16.085 -11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.034 15.378 -9.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.733 14.587 -10.531 1.00 0.00 H new ATOM 1354 N ARG A 98 14.038 18.036 -7.346 1.00 0.00 N ATOM 1355 CA ARG A 98 12.981 18.858 -7.921 1.00 0.00 C ATOM 1356 C ARG A 98 12.044 19.332 -6.820 1.00 0.00 C ATOM 1357 O ARG A 98 11.399 20.374 -6.932 1.00 0.00 O ATOM 1358 CB ARG A 98 12.168 18.075 -8.960 1.00 0.00 C ATOM 1359 CG ARG A 98 12.982 17.090 -9.779 1.00 0.00 C ATOM 1360 CD ARG A 98 13.085 15.737 -9.091 1.00 0.00 C ATOM 1361 NE ARG A 98 13.030 14.632 -10.047 1.00 0.00 N ATOM 1362 CZ ARG A 98 14.041 14.289 -10.841 1.00 0.00 C ATOM 1363 NH1 ARG A 98 15.188 14.956 -10.793 1.00 0.00 N ATOM 1364 NH2 ARG A 98 13.907 13.273 -11.682 1.00 0.00 N ATOM 0 H ARG A 98 13.792 17.052 -7.238 1.00 0.00 H new ATOM 0 HA ARG A 98 13.450 19.710 -8.413 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.372 17.533 -8.448 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.688 18.782 -9.636 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.523 16.966 -10.760 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.982 17.492 -9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.018 15.685 -8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.274 15.634 -8.370 1.00 0.00 H new ATOM 0 HE ARG A 98 12.166 14.093 -10.109 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.298 15.736 -10.145 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.960 14.688 -11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.029 12.755 -11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.682 13.010 -12.291 1.00 0.00 H new ATOM 1378 N GLY A 99 11.967 18.535 -5.759 1.00 0.00 N ATOM 1379 CA GLY A 99 11.100 18.848 -4.645 1.00 0.00 C ATOM 1380 C GLY A 99 10.005 17.816 -4.481 1.00 0.00 C ATOM 1381 O GLY A 99 9.162 17.936 -3.594 1.00 0.00 O ATOM 0 H GLY A 99 12.497 17.670 -5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.689 18.902 -3.729 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.654 19.831 -4.796 1.00 0.00 H new ATOM 1385 N MET A 100 10.013 16.797 -5.348 1.00 0.00 N ATOM 1386 CA MET A 100 9.012 15.741 -5.306 1.00 0.00 C ATOM 1387 C MET A 100 9.548 14.441 -5.898 1.00 0.00 C ATOM 1388 O MET A 100 10.259 14.448 -6.902 1.00 0.00 O ATOM 1389 CB MET A 100 7.771 16.177 -6.082 1.00 0.00 C ATOM 1390 CG MET A 100 8.031 16.353 -7.571 1.00 0.00 C ATOM 1391 SD MET A 100 6.901 15.399 -8.597 1.00 0.00 S ATOM 1392 CE MET A 100 7.670 13.785 -8.515 1.00 0.00 C ATOM 0 H MET A 100 10.707 16.687 -6.087 1.00 0.00 H new ATOM 0 HA MET A 100 8.756 15.562 -4.262 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.983 15.437 -5.942 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.403 17.117 -5.670 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.943 17.409 -7.828 1.00 0.00 H new ATOM 0 HG3 MET A 100 9.056 16.055 -7.794 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.210 13.125 -9.250 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.735 13.878 -8.728 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.535 13.368 -7.517 1.00 0.00 H new ATOM 1402 N ILE A 101 9.193 13.325 -5.270 1.00 0.00 N ATOM 1403 CA ILE A 101 9.625 12.014 -5.730 1.00 0.00 C ATOM 1404 C ILE A 101 8.435 11.198 -6.233 1.00 0.00 C ATOM 1405 O ILE A 101 7.338 11.278 -5.679 1.00 0.00 O ATOM 1406 CB ILE A 101 10.365 11.238 -4.610 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.700 9.887 -4.327 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.436 12.064 -3.336 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.372 9.100 -3.226 1.00 0.00 C ATOM 0 H ILE A 101 8.604 13.305 -4.437 1.00 0.00 H new ATOM 0 HA ILE A 101 10.321 12.169 -6.555 1.00 0.00 H new ATOM 0 HB ILE A 101 11.379 11.048 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.657 10.054 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.702 9.292 -5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.959 11.499 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.973 12.992 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.427 12.294 -2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.847 8.156 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.408 8.901 -3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.347 9.675 -2.300 1.00 0.00 H new ATOM 1421 N GLN A 102 8.661 10.404 -7.275 1.00 0.00 N ATOM 1422 CA GLN A 102 7.609 9.565 -7.835 1.00 0.00 C ATOM 1423 C GLN A 102 7.498 8.267 -7.042 1.00 0.00 C ATOM 1424 O GLN A 102 8.504 7.717 -6.596 1.00 0.00 O ATOM 1425 CB GLN A 102 7.892 9.259 -9.307 1.00 0.00 C ATOM 1426 CG GLN A 102 6.770 8.497 -9.992 1.00 0.00 C ATOM 1427 CD GLN A 102 7.234 7.198 -10.625 1.00 0.00 C ATOM 1428 OE1 GLN A 102 8.124 6.486 -9.943 1.00 0.00 O flip ATOM 1429 NE2 GLN A 102 6.797 6.839 -11.718 1.00 0.00 N flip ATOM 0 H GLN A 102 9.562 10.324 -7.747 1.00 0.00 H new ATOM 0 HA GLN A 102 6.664 10.104 -7.769 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.063 10.195 -9.839 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.812 8.679 -9.379 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.988 8.281 -9.264 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.325 9.130 -10.760 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.114 7.416 -12.209 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.118 5.964 -12.133 1.00 0.00 H new ATOM 1438 N LEU A 103 6.273 7.787 -6.852 1.00 0.00 N ATOM 1439 CA LEU A 103 6.049 6.563 -6.093 1.00 0.00 C ATOM 1440 C LEU A 103 5.130 5.601 -6.829 1.00 0.00 C ATOM 1441 O LEU A 103 4.094 5.996 -7.358 1.00 0.00 O ATOM 1442 CB LEU A 103 5.439 6.880 -4.725 1.00 0.00 C ATOM 1443 CG LEU A 103 6.355 7.611 -3.747 1.00 0.00 C ATOM 1444 CD1 LEU A 103 7.741 6.983 -3.734 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.431 9.086 -4.104 1.00 0.00 C ATOM 0 H LEU A 103 5.425 8.225 -7.211 1.00 0.00 H new ATOM 0 HA LEU A 103 7.022 6.089 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.544 7.484 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.118 5.945 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 103 5.938 7.519 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.377 7.520 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.665 5.939 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.176 7.040 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.087 9.597 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.826 9.196 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.434 9.524 -4.055 1.00 0.00 H new ATOM 1457 N ILE A 104 5.506 4.332 -6.823 1.00 0.00 N ATOM 1458 CA ILE A 104 4.708 3.291 -7.450 1.00 0.00 C ATOM 1459 C ILE A 104 4.486 2.160 -6.457 1.00 0.00 C ATOM 1460 O ILE A 104 5.428 1.477 -6.064 1.00 0.00 O ATOM 1461 CB ILE A 104 5.387 2.736 -8.719 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.639 3.863 -9.718 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.530 1.646 -9.350 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.541 3.462 -10.866 1.00 0.00 C ATOM 0 H ILE A 104 6.365 3.997 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 104 3.755 3.729 -7.746 1.00 0.00 H new ATOM 0 HB ILE A 104 6.345 2.299 -8.438 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.684 4.203 -10.118 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.085 4.709 -9.195 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.025 1.266 -10.244 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.393 0.833 -8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.558 2.058 -9.621 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.676 4.311 -11.536 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.510 3.150 -10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.087 2.636 -11.414 1.00 0.00 H new ATOM 1476 N VAL A 105 3.242 1.981 -6.038 1.00 0.00 N ATOM 1477 CA VAL A 105 2.911 0.944 -5.070 1.00 0.00 C ATOM 1478 C VAL A 105 1.784 0.054 -5.572 1.00 0.00 C ATOM 1479 O VAL A 105 1.182 0.316 -6.612 1.00 0.00 O ATOM 1480 CB VAL A 105 2.501 1.554 -3.716 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.665 2.313 -3.094 1.00 0.00 C ATOM 1482 CG2 VAL A 105 1.289 2.461 -3.880 1.00 0.00 C ATOM 0 H VAL A 105 2.447 2.538 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 105 3.810 0.342 -4.937 1.00 0.00 H new ATOM 0 HB VAL A 105 2.228 0.741 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.355 2.736 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.500 1.631 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.975 3.116 -3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.016 2.882 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.530 3.268 -4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.453 1.883 -4.274 1.00 0.00 H new ATOM 1492 N ALA A 106 1.504 -0.998 -4.817 1.00 0.00 N ATOM 1493 CA ALA A 106 0.447 -1.933 -5.167 1.00 0.00 C ATOM 1494 C ALA A 106 -0.197 -2.496 -3.908 1.00 0.00 C ATOM 1495 O ALA A 106 0.493 -2.985 -3.015 1.00 0.00 O ATOM 1496 CB ALA A 106 0.995 -3.052 -6.039 1.00 0.00 C ATOM 0 H ALA A 106 1.997 -1.226 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.316 -1.401 -5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.191 -3.743 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.412 -2.630 -6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.776 -3.586 -5.497 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.521 -2.416 -3.834 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.240 -2.916 -2.668 1.00 0.00 C ATOM 1504 C ARG A 107 -3.405 -3.806 -3.078 1.00 0.00 C ATOM 1505 O ARG A 107 -3.628 -4.052 -4.264 1.00 0.00 O ATOM 1506 CB ARG A 107 -2.743 -1.757 -1.796 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.156 -0.516 -2.574 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.658 -0.483 -2.814 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.393 -0.078 -1.619 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.633 0.407 -1.639 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.282 0.547 -2.789 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.228 0.753 -0.504 1.00 0.00 N ATOM 0 H ARG A 107 -2.114 -2.014 -4.560 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.541 -3.514 -2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.594 -2.103 -1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.959 -1.484 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.854 0.376 -2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.633 -0.494 -3.530 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.880 0.207 -3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.996 -1.469 -3.131 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.929 -0.172 -0.715 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.831 0.282 -3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.232 0.919 -2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.735 0.647 0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.178 1.125 -0.519 1.00 0.00 H new ATOM 1526 N ARG A 108 -4.140 -4.293 -2.085 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.278 -5.167 -2.335 1.00 0.00 C ATOM 1528 C ARG A 108 -6.590 -4.395 -2.269 1.00 0.00 C ATOM 1529 O ARG A 108 -6.707 -3.405 -1.549 1.00 0.00 O ATOM 1530 CB ARG A 108 -5.297 -6.314 -1.322 1.00 0.00 C ATOM 1531 CG ARG A 108 -4.487 -7.525 -1.757 1.00 0.00 C ATOM 1532 CD ARG A 108 -5.054 -8.813 -1.183 1.00 0.00 C ATOM 1533 NE ARG A 108 -4.309 -9.264 -0.010 1.00 0.00 N ATOM 1534 CZ ARG A 108 -4.351 -10.507 0.461 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -5.099 -11.426 -0.136 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -3.641 -10.834 1.533 1.00 0.00 N ATOM 0 H ARG A 108 -3.967 -4.097 -1.099 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.172 -5.576 -3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.911 -5.952 -0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.329 -6.620 -1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.477 -7.585 -2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.453 -7.407 -1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.099 -8.660 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.033 -9.590 -1.947 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.722 -8.586 0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.646 -11.181 -0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.127 -12.378 0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.063 -10.132 1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.673 -11.787 1.895 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.576 -4.862 -3.029 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.884 -4.224 -3.063 1.00 0.00 C ATOM 1552 C ILE A 109 -9.707 -4.596 -1.833 1.00 0.00 C ATOM 1553 O ILE A 109 -10.547 -3.820 -1.378 1.00 0.00 O ATOM 1554 CB ILE A 109 -9.663 -4.620 -4.332 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -8.800 -4.397 -5.574 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -10.959 -3.828 -4.431 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -9.439 -4.893 -6.852 1.00 0.00 C ATOM 0 H ILE A 109 -7.492 -5.682 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.716 -3.147 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.914 -5.679 -4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.588 -3.332 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.843 -4.901 -5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.496 -4.121 -5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.578 -4.033 -3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.732 -2.763 -4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.770 -4.702 -7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.626 -5.964 -6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -10.382 -4.371 -7.013 1.00 0.00 H new ATOM 1569 N SER A 110 -9.459 -5.789 -1.300 1.00 0.00 N ATOM 1570 CA SER A 110 -10.175 -6.265 -0.122 1.00 0.00 C ATOM 1571 C SER A 110 -11.677 -6.317 -0.380 1.00 0.00 C ATOM 1572 O SER A 110 -12.409 -5.390 -0.030 1.00 0.00 O ATOM 1573 CB SER A 110 -9.883 -5.362 1.079 1.00 0.00 C ATOM 1574 OG SER A 110 -10.042 -6.065 2.297 1.00 0.00 O ATOM 0 H SER A 110 -8.767 -6.443 -1.666 1.00 0.00 H new ATOM 0 HA SER A 110 -9.828 -7.275 0.098 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.866 -4.976 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.552 -4.502 1.062 1.00 0.00 H new ATOM 0 HG SER A 110 -9.848 -5.466 3.048 1.00 0.00 H new TER 1580 SER A 110 ATOM 1581 N ASP B 3 2.546 -13.401 6.667 1.00 0.00 N ATOM 1582 CA ASP B 3 3.397 -12.990 5.557 1.00 0.00 C ATOM 1583 C ASP B 3 4.702 -12.383 6.067 1.00 0.00 C ATOM 1584 O ASP B 3 5.282 -11.508 5.425 1.00 0.00 O ATOM 1585 CB ASP B 3 2.659 -11.984 4.670 1.00 0.00 C ATOM 1586 CG ASP B 3 2.251 -12.580 3.337 1.00 0.00 C ATOM 1587 OD1 ASP B 3 1.592 -13.641 3.339 1.00 0.00 O ATOM 1588 OD2 ASP B 3 2.589 -11.986 2.292 1.00 0.00 O ATOM 0 HA ASP B 3 3.639 -13.874 4.967 1.00 0.00 H new ATOM 0 HB2 ASP B 3 1.772 -11.626 5.192 1.00 0.00 H new ATOM 0 HB3 ASP B 3 3.298 -11.118 4.497 1.00 0.00 H new ATOM 1593 N GLU B 4 5.156 -12.857 7.221 1.00 0.00 N ATOM 1594 CA GLU B 4 6.393 -12.364 7.816 1.00 0.00 C ATOM 1595 C GLU B 4 7.272 -13.522 8.279 1.00 0.00 C ATOM 1596 O GLU B 4 6.838 -14.672 8.296 1.00 0.00 O ATOM 1597 CB GLU B 4 6.081 -11.435 8.994 1.00 0.00 C ATOM 1598 CG GLU B 4 6.704 -10.055 8.862 1.00 0.00 C ATOM 1599 CD GLU B 4 6.701 -9.285 10.168 1.00 0.00 C ATOM 1600 OE1 GLU B 4 5.767 -9.486 10.973 1.00 0.00 O ATOM 1601 OE2 GLU B 4 7.632 -8.483 10.386 1.00 0.00 O ATOM 0 H GLU B 4 4.687 -13.582 7.764 1.00 0.00 H new ATOM 0 HA GLU B 4 6.937 -11.803 7.056 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.000 -11.329 9.086 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.436 -11.898 9.915 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.730 -10.156 8.507 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.160 -9.486 8.108 1.00 0.00 H new ATOM 1608 N ASP B 5 8.509 -13.211 8.652 1.00 0.00 N ATOM 1609 CA ASP B 5 9.446 -14.229 9.111 1.00 0.00 C ATOM 1610 C ASP B 5 9.702 -14.096 10.610 1.00 0.00 C ATOM 1611 O ASP B 5 9.121 -14.824 11.415 1.00 0.00 O ATOM 1612 CB ASP B 5 10.761 -14.131 8.332 1.00 0.00 C ATOM 1613 CG ASP B 5 11.783 -15.158 8.783 1.00 0.00 C ATOM 1614 OD1 ASP B 5 11.471 -16.366 8.734 1.00 0.00 O ATOM 1615 OD2 ASP B 5 12.895 -14.753 9.183 1.00 0.00 O ATOM 0 H ASP B 5 8.885 -12.263 8.645 1.00 0.00 H new ATOM 0 HA ASP B 5 9.004 -15.208 8.928 1.00 0.00 H new ATOM 0 HB2 ASP B 5 10.560 -14.266 7.269 1.00 0.00 H new ATOM 0 HB3 ASP B 5 11.178 -13.131 8.454 1.00 0.00 H new ATOM 1620 N GLN B 6 10.576 -13.165 10.978 1.00 0.00 N ATOM 1621 CA GLN B 6 10.907 -12.940 12.381 1.00 0.00 C ATOM 1622 C GLN B 6 11.394 -11.511 12.604 1.00 0.00 C ATOM 1623 O GLN B 6 10.709 -10.702 13.229 1.00 0.00 O ATOM 1624 CB GLN B 6 11.977 -13.933 12.840 1.00 0.00 C ATOM 1625 CG GLN B 6 11.418 -15.099 13.641 1.00 0.00 C ATOM 1626 CD GLN B 6 11.798 -16.446 13.054 1.00 0.00 C ATOM 1627 OE1 GLN B 6 11.699 -16.567 11.735 1.00 0.00 O flip ATOM 1628 NE2 GLN B 6 12.174 -17.367 13.778 1.00 0.00 N flip ATOM 0 H GLN B 6 11.068 -12.555 10.325 1.00 0.00 H new ATOM 0 HA GLN B 6 10.003 -13.092 12.970 1.00 0.00 H new ATOM 0 HB2 GLN B 6 12.501 -14.321 11.966 1.00 0.00 H new ATOM 0 HB3 GLN B 6 12.714 -13.406 13.446 1.00 0.00 H new ATOM 0 HG2 GLN B 6 11.782 -15.038 14.667 1.00 0.00 H new ATOM 0 HG3 GLN B 6 10.332 -15.019 13.683 1.00 0.00 H new ATOM 0 HE21 GLN B 6 12.235 -17.230 14.787 1.00 0.00 H new ATOM 0 HE22 GLN B 6 12.424 -18.267 13.369 1.00 0.00 H new ATOM 1637 N HIS B 7 12.580 -11.209 12.088 1.00 0.00 N ATOM 1638 CA HIS B 7 13.161 -9.879 12.232 1.00 0.00 C ATOM 1639 C HIS B 7 12.558 -8.906 11.225 1.00 0.00 C ATOM 1640 O HIS B 7 12.380 -9.239 10.053 1.00 0.00 O ATOM 1641 CB HIS B 7 14.679 -9.939 12.051 1.00 0.00 C ATOM 1642 CG HIS B 7 15.334 -11.023 12.851 1.00 0.00 C ATOM 1643 ND1 HIS B 7 15.680 -12.248 12.319 1.00 0.00 N ATOM 1644 CD2 HIS B 7 15.709 -11.061 14.152 1.00 0.00 C ATOM 1645 CE1 HIS B 7 16.236 -12.993 13.258 1.00 0.00 C ATOM 1646 NE2 HIS B 7 16.267 -12.295 14.378 1.00 0.00 N ATOM 0 H HIS B 7 13.158 -11.867 11.566 1.00 0.00 H new ATOM 0 HA HIS B 7 12.934 -9.521 13.236 1.00 0.00 H new ATOM 0 HB2 HIS B 7 14.905 -10.090 10.996 1.00 0.00 H new ATOM 0 HB3 HIS B 7 15.109 -8.978 12.335 1.00 0.00 H new ATOM 0 HD2 HIS B 7 15.591 -10.269 14.876 1.00 0.00 H new ATOM 0 HE1 HIS B 7 16.603 -14.001 13.131 1.00 0.00 H new ATOM 0 HE2 HIS B 7 16.645 -12.620 15.268 1.00 0.00 H new ATOM 1655 N SER B 8 12.248 -7.700 11.690 1.00 0.00 N ATOM 1656 CA SER B 8 11.668 -6.673 10.831 1.00 0.00 C ATOM 1657 C SER B 8 12.364 -5.334 11.048 1.00 0.00 C ATOM 1658 O SER B 8 13.384 -5.259 11.731 1.00 0.00 O ATOM 1659 CB SER B 8 10.169 -6.537 11.102 1.00 0.00 C ATOM 1660 OG SER B 8 9.931 -5.951 12.372 1.00 0.00 O ATOM 0 H SER B 8 12.389 -7.410 12.658 1.00 0.00 H new ATOM 0 HA SER B 8 11.812 -6.974 9.793 1.00 0.00 H new ATOM 0 HB2 SER B 8 9.710 -5.927 10.325 1.00 0.00 H new ATOM 0 HB3 SER B 8 9.698 -7.519 11.057 1.00 0.00 H new ATOM 0 HG SER B 8 8.965 -5.873 12.521 1.00 0.00 H new ATOM 1666 N GLN B 9 11.810 -4.277 10.461 1.00 0.00 N ATOM 1667 CA GLN B 9 12.380 -2.947 10.589 1.00 0.00 C ATOM 1668 C GLN B 9 11.505 -1.937 9.858 1.00 0.00 C ATOM 1669 O GLN B 9 11.139 -2.145 8.700 1.00 0.00 O ATOM 1670 CB GLN B 9 13.810 -2.929 10.032 1.00 0.00 C ATOM 1671 CG GLN B 9 14.452 -1.547 9.990 1.00 0.00 C ATOM 1672 CD GLN B 9 13.827 -0.623 8.958 1.00 0.00 C ATOM 1673 OE1 GLN B 9 13.755 0.589 9.161 1.00 0.00 O ATOM 1674 NE2 GLN B 9 13.371 -1.188 7.843 1.00 0.00 N ATOM 0 H GLN B 9 10.965 -4.320 9.891 1.00 0.00 H new ATOM 0 HA GLN B 9 12.420 -2.674 11.644 1.00 0.00 H new ATOM 0 HB2 GLN B 9 14.432 -3.587 10.639 1.00 0.00 H new ATOM 0 HB3 GLN B 9 13.799 -3.342 9.023 1.00 0.00 H new ATOM 0 HG2 GLN B 9 14.372 -1.087 10.975 1.00 0.00 H new ATOM 0 HG3 GLN B 9 15.515 -1.655 9.774 1.00 0.00 H new ATOM 0 HE21 GLN B 9 13.450 -2.197 7.713 1.00 0.00 H new ATOM 0 HE22 GLN B 9 12.943 -0.612 7.118 1.00 0.00 H new ATOM 1683 N ILE B 10 11.164 -0.851 10.537 1.00 0.00 N ATOM 1684 CA ILE B 10 10.323 0.179 9.941 1.00 0.00 C ATOM 1685 C ILE B 10 11.134 1.424 9.615 1.00 0.00 C ATOM 1686 O ILE B 10 11.432 2.238 10.489 1.00 0.00 O ATOM 1687 CB ILE B 10 9.151 0.565 10.859 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.642 -0.661 11.623 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.032 1.190 10.042 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.875 -1.647 10.766 1.00 0.00 C ATOM 0 H ILE B 10 11.454 -0.660 11.496 1.00 0.00 H new ATOM 0 HA ILE B 10 9.918 -0.242 9.021 1.00 0.00 H new ATOM 0 HB ILE B 10 9.502 1.297 11.586 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.491 -1.173 12.075 1.00 0.00 H new ATOM 0 HG13 ILE B 10 8.000 -0.327 12.438 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.207 1.460 10.701 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.403 2.084 9.541 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.682 0.475 9.297 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.549 -2.486 11.380 1.00 0.00 H new ATOM 0 HD12 ILE B 10 7.004 -1.153 10.334 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.519 -2.012 9.966 1.00 0.00 H new ATOM 1702 N THR B 11 11.487 1.561 8.346 1.00 0.00 N ATOM 1703 CA THR B 11 12.265 2.703 7.881 1.00 0.00 C ATOM 1704 C THR B 11 11.408 3.966 7.845 1.00 0.00 C ATOM 1705 O THR B 11 10.643 4.183 6.905 1.00 0.00 O ATOM 1706 CB THR B 11 12.839 2.419 6.491 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.675 1.275 6.519 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.652 3.565 5.931 1.00 0.00 C ATOM 0 H THR B 11 11.246 0.892 7.615 1.00 0.00 H new ATOM 0 HA THR B 11 13.086 2.864 8.580 1.00 0.00 H new ATOM 0 HB THR B 11 11.972 2.262 5.849 1.00 0.00 H new ATOM 0 HG1 THR B 11 13.546 0.756 5.698 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.028 3.296 4.944 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.023 4.452 5.850 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.491 3.774 6.595 1.00 0.00 H new ATOM 1716 N LYS B 12 11.544 4.794 8.876 1.00 0.00 N ATOM 1717 CA LYS B 12 10.783 6.035 8.964 1.00 0.00 C ATOM 1718 C LYS B 12 11.402 7.117 8.085 1.00 0.00 C ATOM 1719 O LYS B 12 12.491 7.618 8.372 1.00 0.00 O ATOM 1720 CB LYS B 12 10.716 6.514 10.416 1.00 0.00 C ATOM 1721 CG LYS B 12 9.345 7.032 10.823 1.00 0.00 C ATOM 1722 CD LYS B 12 9.321 8.550 10.897 1.00 0.00 C ATOM 1723 CE LYS B 12 10.175 9.064 12.045 1.00 0.00 C ATOM 1724 NZ LYS B 12 10.743 10.410 11.755 1.00 0.00 N ATOM 0 H LYS B 12 12.173 4.628 9.661 1.00 0.00 H new ATOM 0 HA LYS B 12 9.772 5.839 8.607 1.00 0.00 H new ATOM 0 HB2 LYS B 12 10.995 5.691 11.075 1.00 0.00 H new ATOM 0 HB3 LYS B 12 11.452 7.304 10.564 1.00 0.00 H new ATOM 0 HG2 LYS B 12 8.598 6.690 10.106 1.00 0.00 H new ATOM 0 HG3 LYS B 12 9.071 6.615 11.792 1.00 0.00 H new ATOM 0 HD2 LYS B 12 9.683 8.967 9.957 1.00 0.00 H new ATOM 0 HD3 LYS B 12 8.294 8.893 11.024 1.00 0.00 H new ATOM 0 HE2 LYS B 12 9.573 9.112 12.952 1.00 0.00 H new ATOM 0 HE3 LYS B 12 10.986 8.361 12.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 11.319 10.725 12.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 11.338 10.360 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 9.969 11.087 11.597 1.00 0.00 H new ATOM 1738 N VAL B 13 10.701 7.473 7.013 1.00 0.00 N ATOM 1739 CA VAL B 13 11.178 8.497 6.092 1.00 0.00 C ATOM 1740 C VAL B 13 10.040 9.409 5.651 1.00 0.00 C ATOM 1741 O VAL B 13 9.320 9.041 4.698 1.00 0.00 O ATOM 1742 CB VAL B 13 11.837 7.870 4.848 1.00 0.00 C ATOM 1743 CG1 VAL B 13 13.160 7.217 5.217 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.899 6.865 4.196 1.00 0.00 C ATOM 1745 OXT VAL B 13 9.873 10.485 6.262 1.00 0.00 O ATOM 0 H VAL B 13 9.800 7.067 6.761 1.00 0.00 H new ATOM 0 HA VAL B 13 11.923 9.086 6.627 1.00 0.00 H new ATOM 0 HB VAL B 13 12.039 8.662 4.127 1.00 0.00 H new ATOM 0 HG11 VAL B 13 13.611 6.780 4.326 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.832 7.967 5.633 1.00 0.00 H new ATOM 0 HG13 VAL B 13 12.986 6.435 5.957 1.00 0.00 H new ATOM 0 HG21 VAL B 13 11.381 6.433 3.319 1.00 0.00 H new ATOM 0 HG22 VAL B 13 10.662 6.074 4.907 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.980 7.368 3.894 1.00 0.00 H new TER 1755 VAL B 13