USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 789 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 71 ASN : amide:sc= -5.46! C(o=-5.5!,f=-8.8!) USER MOD Set 1.2: A 90 SER OG : rot 140:sc= -0.0212 USER MOD Set 2.1: A 35 SER OG : rot 160:sc= 0.0917 USER MOD Set 2.2: A 38 ASN : amide:sc= -1.48 K(o=-1.4,f=-3.5) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.926 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.194 F(o=-0.84,f=-0.19) USER MOD Single : A 21 SER OG : rot -12:sc= -2.16! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 68:sc= 0.395 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -10.9! C(o=-11!,f=-21!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 41:sc= 0.754 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.44 F(o=-1,f=-0.44) USER MOD Single : A 56 SER OG : rot -109:sc= -1.02 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 66 GLN :FLIP amide:sc= -1.36 F(o=-2.9,f=-1.4) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -107:sc= -1.23 (180deg=-5.37!) USER MOD Single : A 80 ASN : amide:sc= -2.28 K(o=-2.3,f=-11!) USER MOD Single : A 81 GLN :FLIP amide:sc= -2.89 F(o=-6.1!,f=-2.9) USER MOD Single : A 84 MET CE :methyl 177:sc= -3.94 (180deg=-3.97) USER MOD Single : A 86 THR OG1 : rot 80:sc= 1.12 USER MOD Single : A 91 MET CE :methyl 176:sc= -7.34! (180deg=-7.63!) 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= -1.14 F(o=-2.3!,f=-1.1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -166:sc= -2.56 (180deg=-3.2!) USER MOD Single : A 102 GLN : amide:sc= -4.72! C(o=-4.7!,f=-8.4!) USER MOD Single : B 11 THR OG1 : rot 151:sc= 1.3 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 10 -3.927 -3.884 -7.665 1.00 0.00 N ATOM 47 CA GLU A 10 -3.702 -2.862 -8.681 1.00 0.00 C ATOM 48 C GLU A 10 -2.503 -1.987 -8.330 1.00 0.00 C ATOM 49 O GLU A 10 -2.147 -1.841 -7.159 1.00 0.00 O ATOM 50 CB GLU A 10 -4.950 -1.991 -8.840 1.00 0.00 C ATOM 51 CG GLU A 10 -5.465 -1.418 -7.530 1.00 0.00 C ATOM 52 CD GLU A 10 -6.413 -0.253 -7.732 1.00 0.00 C ATOM 53 OE1 GLU A 10 -6.882 -0.059 -8.874 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.686 0.468 -6.749 1.00 0.00 O ATOM 0 HA GLU A 10 -3.492 -3.368 -9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.726 -1.171 -9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.739 -2.583 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.975 -2.203 -6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.620 -1.092 -6.924 1.00 0.00 H new ATOM 61 N PHE A 11 -1.888 -1.405 -9.357 1.00 0.00 N ATOM 62 CA PHE A 11 -0.731 -0.538 -9.173 1.00 0.00 C ATOM 63 C PHE A 11 -1.170 0.916 -9.027 1.00 0.00 C ATOM 64 O PHE A 11 -2.201 1.318 -9.569 1.00 0.00 O ATOM 65 CB PHE A 11 0.231 -0.678 -10.354 1.00 0.00 C ATOM 66 CG PHE A 11 0.794 -2.062 -10.511 1.00 0.00 C ATOM 67 CD1 PHE A 11 -0.022 -3.118 -10.882 1.00 0.00 C ATOM 68 CD2 PHE A 11 2.139 -2.306 -10.285 1.00 0.00 C ATOM 69 CE1 PHE A 11 0.493 -4.392 -11.026 1.00 0.00 C ATOM 70 CE2 PHE A 11 2.660 -3.579 -10.427 1.00 0.00 C ATOM 71 CZ PHE A 11 1.836 -4.624 -10.798 1.00 0.00 C ATOM 0 H PHE A 11 -2.175 -1.520 -10.329 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.217 -0.841 -8.261 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.290 -0.401 -11.271 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.053 0.027 -10.228 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.073 -2.944 -11.061 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.788 -1.493 -9.995 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.154 -5.206 -11.317 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.710 -3.756 -10.248 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.240 -5.619 -10.909 1.00 0.00 H new ATOM 81 N LEU A 12 -0.394 1.698 -8.285 1.00 0.00 N ATOM 82 CA LEU A 12 -0.720 3.103 -8.064 1.00 0.00 C ATOM 83 C LEU A 12 0.522 3.985 -8.130 1.00 0.00 C ATOM 84 O LEU A 12 1.398 3.910 -7.267 1.00 0.00 O ATOM 85 CB LEU A 12 -1.405 3.287 -6.707 1.00 0.00 C ATOM 86 CG LEU A 12 -2.398 2.189 -6.319 1.00 0.00 C ATOM 87 CD1 LEU A 12 -2.327 1.904 -4.827 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.811 2.584 -6.721 1.00 0.00 C ATOM 0 H LEU A 12 0.462 1.385 -7.828 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.400 3.407 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.637 3.347 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.929 4.243 -6.710 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.129 1.278 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.041 1.121 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.320 1.577 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.569 2.810 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.505 1.792 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.089 3.508 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.854 2.735 -7.800 1.00 0.00 H new ATOM 100 N THR A 13 0.581 4.834 -9.150 1.00 0.00 N ATOM 101 CA THR A 13 1.700 5.752 -9.325 1.00 0.00 C ATOM 102 C THR A 13 1.322 7.134 -8.797 1.00 0.00 C ATOM 103 O THR A 13 0.233 7.633 -9.079 1.00 0.00 O ATOM 104 CB THR A 13 2.092 5.836 -10.799 1.00 0.00 C ATOM 105 OG1 THR A 13 2.499 4.567 -11.282 1.00 0.00 O ATOM 106 CG2 THR A 13 3.215 6.810 -11.066 1.00 0.00 C ATOM 0 H THR A 13 -0.137 4.905 -9.871 1.00 0.00 H new ATOM 0 HA THR A 13 2.556 5.379 -8.762 1.00 0.00 H new ATOM 0 HB THR A 13 1.199 6.188 -11.315 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.745 4.640 -12.228 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.442 6.820 -12.132 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.913 7.809 -10.750 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.101 6.506 -10.509 1.00 0.00 H new ATOM 114 N PHE A 14 2.212 7.743 -8.018 1.00 0.00 N ATOM 115 CA PHE A 14 1.938 9.057 -7.445 1.00 0.00 C ATOM 116 C PHE A 14 3.177 9.942 -7.433 1.00 0.00 C ATOM 117 O PHE A 14 4.280 9.494 -7.735 1.00 0.00 O ATOM 118 CB PHE A 14 1.391 8.909 -6.025 1.00 0.00 C ATOM 119 CG PHE A 14 0.131 8.096 -5.947 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.017 8.508 -6.606 1.00 0.00 C ATOM 121 CD2 PHE A 14 0.093 6.922 -5.213 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.178 7.763 -6.536 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.064 6.171 -5.138 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.202 6.593 -5.800 1.00 0.00 C ATOM 0 H PHE A 14 3.121 7.352 -7.771 1.00 0.00 H new ATOM 0 HA PHE A 14 1.191 9.539 -8.076 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.152 8.445 -5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.200 9.900 -5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.003 9.422 -7.181 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.979 6.590 -4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.065 8.094 -7.055 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.080 5.257 -4.564 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.109 6.009 -5.742 1.00 0.00 H new ATOM 134 N GLU A 15 2.973 11.203 -7.067 1.00 0.00 N ATOM 135 CA GLU A 15 4.054 12.182 -6.986 1.00 0.00 C ATOM 136 C GLU A 15 4.022 12.866 -5.623 1.00 0.00 C ATOM 137 O GLU A 15 3.104 13.629 -5.326 1.00 0.00 O ATOM 138 CB GLU A 15 3.920 13.223 -8.102 1.00 0.00 C ATOM 139 CG GLU A 15 3.141 12.733 -9.314 1.00 0.00 C ATOM 140 CD GLU A 15 1.683 13.148 -9.278 1.00 0.00 C ATOM 141 OE1 GLU A 15 0.998 12.826 -8.282 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.225 13.795 -10.243 1.00 0.00 O ATOM 0 H GLU A 15 2.057 11.576 -6.819 1.00 0.00 H new ATOM 0 HA GLU A 15 5.007 11.668 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.429 14.110 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.916 13.528 -8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.604 13.123 -10.220 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.204 11.646 -9.367 1.00 0.00 H new ATOM 149 N VAL A 16 5.007 12.565 -4.781 1.00 0.00 N ATOM 150 CA VAL A 16 5.058 13.129 -3.438 1.00 0.00 C ATOM 151 C VAL A 16 6.103 14.236 -3.299 1.00 0.00 C ATOM 152 O VAL A 16 7.303 13.966 -3.288 1.00 0.00 O ATOM 153 CB VAL A 16 5.363 12.032 -2.400 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.276 12.586 -0.986 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.417 10.856 -2.579 1.00 0.00 C ATOM 0 H VAL A 16 5.778 11.936 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 16 4.075 13.564 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 16 6.382 11.681 -2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.495 11.793 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.999 13.393 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.271 12.969 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.645 10.089 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.389 11.193 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.538 10.441 -3.580 1.00 0.00 H new ATOM 165 N PRO A 17 5.659 15.501 -3.157 1.00 0.00 N ATOM 166 CA PRO A 17 6.564 16.633 -2.981 1.00 0.00 C ATOM 167 C PRO A 17 7.012 16.746 -1.528 1.00 0.00 C ATOM 168 O PRO A 17 6.182 16.756 -0.620 1.00 0.00 O ATOM 169 CB PRO A 17 5.697 17.824 -3.373 1.00 0.00 C ATOM 170 CG PRO A 17 4.316 17.425 -2.978 1.00 0.00 C ATOM 171 CD PRO A 17 4.243 15.924 -3.127 1.00 0.00 C ATOM 0 HA PRO A 17 7.478 16.551 -3.569 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.011 18.731 -2.857 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.761 18.027 -4.442 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.105 17.723 -1.951 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.575 17.914 -3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.707 15.466 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.721 15.638 -4.040 1.00 0.00 H new ATOM 179 N LEU A 18 8.319 16.813 -1.306 1.00 0.00 N ATOM 180 CA LEU A 18 8.853 16.898 0.051 1.00 0.00 C ATOM 181 C LEU A 18 9.687 18.152 0.253 1.00 0.00 C ATOM 182 O LEU A 18 10.608 18.166 1.071 1.00 0.00 O ATOM 183 CB LEU A 18 9.698 15.672 0.341 1.00 0.00 C ATOM 184 CG LEU A 18 10.721 15.378 -0.743 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.037 14.928 -0.132 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.185 14.335 -1.711 1.00 0.00 C ATOM 0 H LEU A 18 9.026 16.810 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 18 8.010 16.945 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.215 15.812 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.044 14.808 0.458 1.00 0.00 H new ATOM 0 HG LEU A 18 10.907 16.296 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.755 14.723 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.426 15.715 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.876 14.023 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.930 14.136 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.968 13.414 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.272 14.706 -2.177 1.00 0.00 H new ATOM 198 N ASN A 19 9.355 19.198 -0.485 1.00 0.00 N ATOM 199 CA ASN A 19 10.061 20.482 -0.388 1.00 0.00 C ATOM 200 C ASN A 19 10.446 20.798 1.057 1.00 0.00 C ATOM 201 O ASN A 19 11.466 21.436 1.316 1.00 0.00 O ATOM 202 CB ASN A 19 9.193 21.618 -0.945 1.00 0.00 C ATOM 203 CG ASN A 19 7.707 21.294 -0.932 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.143 21.126 0.260 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 7.074 21.198 -1.982 1.00 0.00 N flip ATOM 0 H ASN A 19 8.596 19.191 -1.166 1.00 0.00 H new ATOM 0 HA ASN A 19 10.972 20.399 -0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.367 22.521 -0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.502 21.836 -1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.546 21.335 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.077 20.982 -1.959 1.00 0.00 H new ATOM 212 N ASP A 20 9.623 20.336 1.993 1.00 0.00 N ATOM 213 CA ASP A 20 9.868 20.551 3.412 1.00 0.00 C ATOM 214 C ASP A 20 10.178 19.230 4.099 1.00 0.00 C ATOM 215 O ASP A 20 10.970 19.173 5.040 1.00 0.00 O ATOM 216 CB ASP A 20 8.653 21.199 4.076 1.00 0.00 C ATOM 217 CG ASP A 20 8.258 22.505 3.413 1.00 0.00 C ATOM 218 OD1 ASP A 20 9.135 23.380 3.254 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.070 22.652 3.056 1.00 0.00 O ATOM 0 H ASP A 20 8.775 19.807 1.790 1.00 0.00 H new ATOM 0 HA ASP A 20 10.724 21.219 3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.811 20.508 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.872 21.381 5.128 1.00 0.00 H new ATOM 224 N SER A 21 9.544 18.168 3.616 1.00 0.00 N ATOM 225 CA SER A 21 9.743 16.840 4.172 1.00 0.00 C ATOM 226 C SER A 21 11.140 16.311 3.853 1.00 0.00 C ATOM 227 O SER A 21 11.556 15.287 4.388 1.00 0.00 O ATOM 228 CB SER A 21 8.682 15.882 3.628 1.00 0.00 C ATOM 229 OG SER A 21 8.976 14.541 3.979 1.00 0.00 O ATOM 0 H SER A 21 8.886 18.204 2.838 1.00 0.00 H new ATOM 0 HA SER A 21 9.647 16.907 5.256 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.703 16.158 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.627 15.973 2.543 1.00 0.00 H new ATOM 0 HG SER A 21 9.891 14.487 4.325 1.00 0.00 H new ATOM 235 N GLY A 22 11.863 17.014 2.977 1.00 0.00 N ATOM 236 CA GLY A 22 13.205 16.592 2.609 1.00 0.00 C ATOM 237 C GLY A 22 14.047 16.196 3.809 1.00 0.00 C ATOM 238 O GLY A 22 14.945 15.360 3.696 1.00 0.00 O ATOM 0 H GLY A 22 11.542 17.866 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.140 15.748 1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.701 17.401 2.074 1.00 0.00 H new ATOM 242 N SER A 23 13.754 16.792 4.960 1.00 0.00 N ATOM 243 CA SER A 23 14.489 16.493 6.184 1.00 0.00 C ATOM 244 C SER A 23 13.930 15.243 6.857 1.00 0.00 C ATOM 245 O SER A 23 14.673 14.457 7.446 1.00 0.00 O ATOM 246 CB SER A 23 14.422 17.680 7.147 1.00 0.00 C ATOM 247 OG SER A 23 15.692 17.946 7.717 1.00 0.00 O ATOM 0 H SER A 23 13.013 17.484 5.071 1.00 0.00 H new ATOM 0 HA SER A 23 15.530 16.309 5.920 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.066 18.563 6.617 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.702 17.471 7.938 1.00 0.00 H new ATOM 0 HG SER A 23 15.623 18.710 8.327 1.00 0.00 H new ATOM 253 N ALA A 24 12.617 15.063 6.761 1.00 0.00 N ATOM 254 CA ALA A 24 11.954 13.910 7.356 1.00 0.00 C ATOM 255 C ALA A 24 12.054 12.687 6.446 1.00 0.00 C ATOM 256 O ALA A 24 11.968 11.550 6.907 1.00 0.00 O ATOM 257 CB ALA A 24 10.493 14.235 7.640 1.00 0.00 C ATOM 0 H ALA A 24 11.990 15.704 6.275 1.00 0.00 H new ATOM 0 HA ALA A 24 12.457 13.676 8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.007 13.367 8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.435 15.076 8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.990 14.495 6.708 1.00 0.00 H new ATOM 263 N GLY A 25 12.227 12.934 5.151 1.00 0.00 N ATOM 264 CA GLY A 25 12.322 11.853 4.188 1.00 0.00 C ATOM 265 C GLY A 25 11.192 11.905 3.182 1.00 0.00 C ATOM 266 O GLY A 25 11.422 11.896 1.974 1.00 0.00 O ATOM 0 H GLY A 25 12.303 13.869 4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.277 11.912 3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.302 10.896 4.710 1.00 0.00 H new ATOM 270 N LEU A 26 9.967 11.979 3.694 1.00 0.00 N ATOM 271 CA LEU A 26 8.781 12.057 2.851 1.00 0.00 C ATOM 272 C LEU A 26 7.520 12.118 3.703 1.00 0.00 C ATOM 273 O LEU A 26 6.563 12.803 3.356 1.00 0.00 O ATOM 274 CB LEU A 26 8.704 10.868 1.892 1.00 0.00 C ATOM 275 CG LEU A 26 7.979 11.160 0.575 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.575 12.385 -0.105 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.043 9.951 -0.348 1.00 0.00 C ATOM 0 H LEU A 26 9.770 11.987 4.695 1.00 0.00 H new ATOM 0 HA LEU A 26 8.855 12.970 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.716 10.532 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.199 10.044 2.395 1.00 0.00 H new ATOM 0 HG LEU A 26 6.932 11.368 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.046 12.576 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.476 13.250 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.630 12.208 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.523 10.176 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.085 9.712 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.567 9.098 0.136 1.00 0.00 H new ATOM 289 N GLY A 27 7.527 11.407 4.826 1.00 0.00 N ATOM 290 CA GLY A 27 6.376 11.414 5.708 1.00 0.00 C ATOM 291 C GLY A 27 5.715 10.055 5.840 1.00 0.00 C ATOM 292 O GLY A 27 4.496 9.972 5.976 1.00 0.00 O ATOM 0 H GLY A 27 8.306 10.828 5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.685 11.758 6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.645 12.131 5.335 1.00 0.00 H new ATOM 296 N VAL A 28 6.509 8.987 5.803 1.00 0.00 N ATOM 297 CA VAL A 28 5.964 7.638 5.926 1.00 0.00 C ATOM 298 C VAL A 28 7.011 6.641 6.409 1.00 0.00 C ATOM 299 O VAL A 28 8.212 6.849 6.235 1.00 0.00 O ATOM 300 CB VAL A 28 5.389 7.125 4.589 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.270 8.025 4.100 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.487 7.014 3.540 1.00 0.00 C ATOM 0 H VAL A 28 7.522 9.028 5.690 1.00 0.00 H new ATOM 0 HA VAL A 28 5.164 7.711 6.663 1.00 0.00 H new ATOM 0 HB VAL A 28 4.974 6.131 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.881 7.642 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.470 8.046 4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.653 9.034 3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.061 6.651 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.936 7.994 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.251 6.318 3.885 1.00 0.00 H new ATOM 312 N SER A 29 6.538 5.547 6.993 1.00 0.00 N ATOM 313 CA SER A 29 7.413 4.490 7.484 1.00 0.00 C ATOM 314 C SER A 29 7.121 3.200 6.726 1.00 0.00 C ATOM 315 O SER A 29 5.979 2.745 6.683 1.00 0.00 O ATOM 316 CB SER A 29 7.208 4.280 8.985 1.00 0.00 C ATOM 317 OG SER A 29 6.662 5.439 9.592 1.00 0.00 O ATOM 0 H SER A 29 5.544 5.368 7.139 1.00 0.00 H new ATOM 0 HA SER A 29 8.451 4.779 7.319 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.543 3.432 9.149 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.160 4.034 9.454 1.00 0.00 H new ATOM 0 HG SER A 29 5.747 5.577 9.270 1.00 0.00 H new ATOM 323 N VAL A 30 8.149 2.627 6.105 1.00 0.00 N ATOM 324 CA VAL A 30 7.978 1.405 5.324 1.00 0.00 C ATOM 325 C VAL A 30 8.559 0.182 6.027 1.00 0.00 C ATOM 326 O VAL A 30 9.481 0.290 6.836 1.00 0.00 O ATOM 327 CB VAL A 30 8.636 1.538 3.938 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.797 2.421 3.029 1.00 0.00 C ATOM 329 CG2 VAL A 30 10.050 2.084 4.069 1.00 0.00 C ATOM 0 H VAL A 30 9.103 2.986 6.127 1.00 0.00 H new ATOM 0 HA VAL A 30 6.903 1.264 5.213 1.00 0.00 H new ATOM 0 HB VAL A 30 8.694 0.547 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.279 2.502 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.807 1.982 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.703 3.413 3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.499 2.171 3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.019 3.066 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.646 1.407 4.680 1.00 0.00 H new ATOM 339 N LYS A 31 8.008 -0.984 5.698 1.00 0.00 N ATOM 340 CA LYS A 31 8.459 -2.247 6.275 1.00 0.00 C ATOM 341 C LYS A 31 8.195 -3.397 5.307 1.00 0.00 C ATOM 342 O LYS A 31 7.100 -3.513 4.757 1.00 0.00 O ATOM 343 CB LYS A 31 7.746 -2.510 7.604 1.00 0.00 C ATOM 344 CG LYS A 31 6.234 -2.591 7.474 1.00 0.00 C ATOM 345 CD LYS A 31 5.763 -4.026 7.293 1.00 0.00 C ATOM 346 CE LYS A 31 5.745 -4.777 8.612 1.00 0.00 C ATOM 347 NZ LYS A 31 5.127 -6.124 8.477 1.00 0.00 N ATOM 0 H LYS A 31 7.243 -1.080 5.030 1.00 0.00 H new ATOM 0 HA LYS A 31 9.531 -2.179 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.117 -3.443 8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.001 -1.717 8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.769 -2.164 8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.909 -1.991 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.764 -4.030 6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.419 -4.539 6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.764 -4.881 8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.193 -4.197 9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.134 -6.603 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.146 -6.024 8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.668 -6.687 7.790 1.00 0.00 H new ATOM 361 N GLY A 32 9.200 -4.242 5.094 1.00 0.00 N ATOM 362 CA GLY A 32 9.041 -5.360 4.182 1.00 0.00 C ATOM 363 C GLY A 32 8.948 -6.699 4.890 1.00 0.00 C ATOM 364 O GLY A 32 9.458 -6.862 5.998 1.00 0.00 O ATOM 0 H GLY A 32 10.117 -4.173 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.142 -5.209 3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.883 -5.379 3.491 1.00 0.00 H new ATOM 368 N ASN A 33 8.291 -7.659 4.243 1.00 0.00 N ATOM 369 CA ASN A 33 8.127 -8.993 4.813 1.00 0.00 C ATOM 370 C ASN A 33 9.015 -10.010 4.107 1.00 0.00 C ATOM 371 O ASN A 33 9.760 -9.675 3.187 1.00 0.00 O ATOM 372 CB ASN A 33 6.669 -9.440 4.716 1.00 0.00 C ATOM 373 CG ASN A 33 6.113 -9.283 3.317 1.00 0.00 C ATOM 374 OD1 ASN A 33 6.708 -8.612 2.474 1.00 0.00 O ATOM 375 ND2 ASN A 33 4.966 -9.901 3.061 1.00 0.00 N ATOM 0 H ASN A 33 7.864 -7.538 3.325 1.00 0.00 H new ATOM 0 HA ASN A 33 8.423 -8.940 5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.590 -10.483 5.021 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.065 -8.858 5.412 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.544 -9.830 2.135 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.507 -10.447 3.790 1.00 0.00 H new ATOM 382 N ARG A 34 8.920 -11.260 4.548 1.00 0.00 N ATOM 383 CA ARG A 34 9.699 -12.343 3.966 1.00 0.00 C ATOM 384 C ARG A 34 8.827 -13.576 3.756 1.00 0.00 C ATOM 385 O ARG A 34 8.151 -14.032 4.679 1.00 0.00 O ATOM 386 CB ARG A 34 10.892 -12.684 4.862 1.00 0.00 C ATOM 387 CG ARG A 34 12.219 -12.704 4.123 1.00 0.00 C ATOM 388 CD ARG A 34 13.392 -12.814 5.086 1.00 0.00 C ATOM 389 NE ARG A 34 13.592 -11.584 5.847 1.00 0.00 N ATOM 390 CZ ARG A 34 14.259 -11.522 6.998 1.00 0.00 C ATOM 391 NH1 ARG A 34 14.792 -12.619 7.523 1.00 0.00 N ATOM 392 NH2 ARG A 34 14.396 -10.361 7.624 1.00 0.00 N ATOM 0 H ARG A 34 8.307 -11.547 5.311 1.00 0.00 H new ATOM 0 HA ARG A 34 10.074 -12.014 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.947 -11.957 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.725 -13.659 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.237 -13.544 3.428 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.319 -11.796 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.220 -13.642 5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.299 -13.046 4.528 1.00 0.00 H new ATOM 0 HE ARG A 34 13.197 -10.720 5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.691 -13.514 7.044 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.302 -12.567 8.405 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.990 -9.515 7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.907 -10.314 8.506 1.00 0.00 H new ATOM 406 N SER A 35 8.841 -14.101 2.534 1.00 0.00 N ATOM 407 CA SER A 35 8.050 -15.280 2.177 1.00 0.00 C ATOM 408 C SER A 35 8.025 -16.309 3.308 1.00 0.00 C ATOM 409 O SER A 35 9.057 -16.614 3.908 1.00 0.00 O ATOM 410 CB SER A 35 8.604 -15.923 0.905 1.00 0.00 C ATOM 411 OG SER A 35 8.100 -17.237 0.735 1.00 0.00 O ATOM 0 H SER A 35 9.397 -13.725 1.766 1.00 0.00 H new ATOM 0 HA SER A 35 7.027 -14.947 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.339 -15.314 0.041 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.693 -15.951 0.953 1.00 0.00 H new ATOM 0 HG SER A 35 8.195 -17.505 -0.203 1.00 0.00 H new ATOM 417 N LYS A 36 6.839 -16.835 3.592 1.00 0.00 N ATOM 418 CA LYS A 36 6.671 -17.827 4.648 1.00 0.00 C ATOM 419 C LYS A 36 7.366 -19.137 4.292 1.00 0.00 C ATOM 420 O LYS A 36 7.897 -19.826 5.164 1.00 0.00 O ATOM 421 CB LYS A 36 5.184 -18.079 4.901 1.00 0.00 C ATOM 422 CG LYS A 36 4.900 -18.765 6.227 1.00 0.00 C ATOM 423 CD LYS A 36 4.476 -17.766 7.290 1.00 0.00 C ATOM 424 CE LYS A 36 5.669 -17.251 8.078 1.00 0.00 C ATOM 425 NZ LYS A 36 5.455 -15.859 8.563 1.00 0.00 N ATOM 0 H LYS A 36 5.977 -16.590 3.104 1.00 0.00 H new ATOM 0 HA LYS A 36 7.131 -17.434 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.653 -17.128 4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.785 -18.691 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.115 -19.510 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.791 -19.297 6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.961 -16.929 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.765 -18.236 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.853 -17.907 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.560 -17.284 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.291 -15.545 9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.304 -15.228 7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.620 -15.832 9.182 1.00 0.00 H new ATOM 439 N GLU A 37 7.352 -19.478 3.009 1.00 0.00 N ATOM 440 CA GLU A 37 7.977 -20.710 2.538 1.00 0.00 C ATOM 441 C GLU A 37 9.496 -20.589 2.544 1.00 0.00 C ATOM 442 O GLU A 37 10.189 -21.382 3.181 1.00 0.00 O ATOM 443 CB GLU A 37 7.486 -21.049 1.129 1.00 0.00 C ATOM 444 CG GLU A 37 6.000 -21.361 1.060 1.00 0.00 C ATOM 445 CD GLU A 37 5.415 -21.106 -0.315 1.00 0.00 C ATOM 446 OE1 GLU A 37 6.184 -21.108 -1.299 1.00 0.00 O ATOM 447 OE2 GLU A 37 4.186 -20.905 -0.407 1.00 0.00 O ATOM 0 H GLU A 37 6.915 -18.920 2.276 1.00 0.00 H new ATOM 0 HA GLU A 37 7.693 -21.513 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.704 -20.211 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.046 -21.906 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.838 -22.404 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.470 -20.754 1.795 1.00 0.00 H new ATOM 454 N ASN A 38 10.008 -19.594 1.829 1.00 0.00 N ATOM 455 CA ASN A 38 11.447 -19.372 1.748 1.00 0.00 C ATOM 456 C ASN A 38 11.818 -17.997 2.295 1.00 0.00 C ATOM 457 O ASN A 38 10.971 -17.112 2.402 1.00 0.00 O ATOM 458 CB ASN A 38 11.924 -19.506 0.303 1.00 0.00 C ATOM 459 CG ASN A 38 11.055 -18.730 -0.668 1.00 0.00 C ATOM 460 OD1 ASN A 38 11.415 -17.635 -1.104 1.00 0.00 O ATOM 461 ND2 ASN A 38 9.902 -19.292 -1.011 1.00 0.00 N ATOM 0 H ASN A 38 9.448 -18.928 1.297 1.00 0.00 H new ATOM 0 HA ASN A 38 11.941 -20.129 2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.952 -19.152 0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.928 -20.559 0.021 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.275 -18.815 -1.659 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.643 -20.200 -0.626 1.00 0.00 H new ATOM 468 N HIS A 39 13.091 -17.827 2.636 1.00 0.00 N ATOM 469 CA HIS A 39 13.575 -16.560 3.172 1.00 0.00 C ATOM 470 C HIS A 39 13.767 -15.535 2.056 1.00 0.00 C ATOM 471 O HIS A 39 14.878 -15.065 1.814 1.00 0.00 O ATOM 472 CB HIS A 39 14.892 -16.770 3.923 1.00 0.00 C ATOM 473 CG HIS A 39 14.792 -17.764 5.038 1.00 0.00 C ATOM 474 ND1 HIS A 39 13.739 -17.796 5.927 1.00 0.00 N ATOM 475 CD2 HIS A 39 15.623 -18.770 5.405 1.00 0.00 C ATOM 476 CE1 HIS A 39 13.926 -18.777 6.794 1.00 0.00 C ATOM 477 NE2 HIS A 39 15.061 -19.382 6.499 1.00 0.00 N ATOM 0 H HIS A 39 13.806 -18.550 2.551 1.00 0.00 H new ATOM 0 HA HIS A 39 12.827 -16.177 3.866 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.654 -17.102 3.218 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.227 -15.815 4.327 1.00 0.00 H new ATOM 0 HD2 HIS A 39 16.553 -19.040 4.927 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.263 -19.038 7.605 1.00 0.00 H new ATOM 0 HE2 HIS A 39 15.457 -20.176 7.002 1.00 0.00 H new ATOM 486 N ALA A 40 12.674 -15.196 1.380 1.00 0.00 N ATOM 487 CA ALA A 40 12.718 -14.228 0.291 1.00 0.00 C ATOM 488 C ALA A 40 11.779 -13.058 0.562 1.00 0.00 C ATOM 489 O ALA A 40 10.596 -13.250 0.832 1.00 0.00 O ATOM 490 CB ALA A 40 12.358 -14.900 -1.026 1.00 0.00 C ATOM 0 H ALA A 40 11.747 -15.578 1.568 1.00 0.00 H new ATOM 0 HA ALA A 40 13.734 -13.839 0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.395 -14.166 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.069 -15.700 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.353 -15.316 -0.959 1.00 0.00 H new ATOM 496 N ASP A 41 12.316 -11.846 0.489 1.00 0.00 N ATOM 497 CA ASP A 41 11.525 -10.644 0.727 1.00 0.00 C ATOM 498 C ASP A 41 10.393 -10.524 -0.289 1.00 0.00 C ATOM 499 O ASP A 41 10.609 -10.659 -1.493 1.00 0.00 O ATOM 500 CB ASP A 41 12.416 -9.403 0.658 1.00 0.00 C ATOM 501 CG ASP A 41 13.058 -9.229 -0.705 1.00 0.00 C ATOM 502 OD1 ASP A 41 14.023 -9.964 -1.004 1.00 0.00 O ATOM 503 OD2 ASP A 41 12.596 -8.359 -1.472 1.00 0.00 O ATOM 0 H ASP A 41 13.296 -11.669 0.267 1.00 0.00 H new ATOM 0 HA ASP A 41 11.089 -10.719 1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.823 -8.519 0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.195 -9.475 1.417 1.00 0.00 H new ATOM 508 N LEU A 42 9.185 -10.266 0.205 1.00 0.00 N ATOM 509 CA LEU A 42 8.022 -10.123 -0.662 1.00 0.00 C ATOM 510 C LEU A 42 7.848 -8.672 -1.105 1.00 0.00 C ATOM 511 O LEU A 42 7.246 -8.399 -2.144 1.00 0.00 O ATOM 512 CB LEU A 42 6.755 -10.603 0.054 1.00 0.00 C ATOM 513 CG LEU A 42 6.925 -11.873 0.892 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.610 -12.252 1.560 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.435 -13.014 0.024 1.00 0.00 C ATOM 0 H LEU A 42 8.987 -10.152 1.199 1.00 0.00 H new ATOM 0 HA LEU A 42 8.186 -10.740 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.398 -9.803 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.980 -10.779 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 42 7.660 -11.678 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.750 -13.157 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.285 -11.440 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.853 -12.431 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.551 -13.911 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.722 -13.209 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.398 -12.741 -0.407 1.00 0.00 H new ATOM 527 N GLY A 43 8.375 -7.746 -0.307 1.00 0.00 N ATOM 528 CA GLY A 43 8.266 -6.337 -0.636 1.00 0.00 C ATOM 529 C GLY A 43 7.997 -5.479 0.585 1.00 0.00 C ATOM 530 O GLY A 43 7.712 -5.999 1.665 1.00 0.00 O ATOM 0 H GLY A 43 8.874 -7.947 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.188 -6.006 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.463 -6.196 -1.360 1.00 0.00 H new ATOM 534 N ILE A 44 8.088 -4.162 0.413 1.00 0.00 N ATOM 535 CA ILE A 44 7.853 -3.225 1.508 1.00 0.00 C ATOM 536 C ILE A 44 6.463 -2.605 1.418 1.00 0.00 C ATOM 537 O ILE A 44 5.988 -2.277 0.330 1.00 0.00 O ATOM 538 CB ILE A 44 8.902 -2.094 1.532 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.179 -1.588 0.109 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.186 -2.569 2.199 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.353 -2.264 -0.567 1.00 0.00 C ATOM 0 H ILE A 44 8.323 -3.720 -0.476 1.00 0.00 H new ATOM 0 HA ILE A 44 7.935 -3.803 2.429 1.00 0.00 H new ATOM 0 HB ILE A 44 8.504 -1.265 2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.287 -1.738 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.363 -0.514 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.914 -1.758 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.972 -2.874 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.592 -3.416 1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.483 -1.852 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.257 -2.092 0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.165 -3.335 -0.638 1.00 0.00 H new ATOM 553 N PHE A 45 5.817 -2.444 2.569 1.00 0.00 N ATOM 554 CA PHE A 45 4.480 -1.860 2.630 1.00 0.00 C ATOM 555 C PHE A 45 4.450 -0.692 3.603 1.00 0.00 C ATOM 556 O PHE A 45 5.104 -0.724 4.648 1.00 0.00 O ATOM 557 CB PHE A 45 3.448 -2.911 3.053 1.00 0.00 C ATOM 558 CG PHE A 45 3.824 -4.315 2.677 1.00 0.00 C ATOM 559 CD1 PHE A 45 4.745 -5.022 3.431 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.262 -4.923 1.566 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.098 -6.310 3.087 1.00 0.00 C ATOM 562 CE2 PHE A 45 3.612 -6.213 1.217 1.00 0.00 C ATOM 563 CZ PHE A 45 4.532 -6.908 1.979 1.00 0.00 C ATOM 0 H PHE A 45 6.199 -2.711 3.476 1.00 0.00 H new ATOM 0 HA PHE A 45 4.226 -1.498 1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.311 -2.858 4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.488 -2.668 2.598 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.192 -4.560 4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.543 -4.383 0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.817 -6.851 3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.167 -6.678 0.350 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.807 -7.917 1.708 1.00 0.00 H new ATOM 573 N VAL A 46 3.685 0.336 3.261 1.00 0.00 N ATOM 574 CA VAL A 46 3.565 1.511 4.114 1.00 0.00 C ATOM 575 C VAL A 46 3.118 1.108 5.514 1.00 0.00 C ATOM 576 O VAL A 46 1.958 0.766 5.730 1.00 0.00 O ATOM 577 CB VAL A 46 2.569 2.534 3.534 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.529 3.790 4.390 1.00 0.00 C ATOM 579 CG2 VAL A 46 2.930 2.875 2.096 1.00 0.00 C ATOM 0 H VAL A 46 3.139 0.380 2.401 1.00 0.00 H new ATOM 0 HA VAL A 46 4.549 1.978 4.163 1.00 0.00 H new ATOM 0 HB VAL A 46 1.575 2.086 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.820 4.499 3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.218 3.531 5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.520 4.242 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.216 3.599 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.933 3.301 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.901 1.970 1.489 1.00 0.00 H new ATOM 589 N LYS A 47 4.053 1.140 6.457 1.00 0.00 N ATOM 590 CA LYS A 47 3.762 0.772 7.837 1.00 0.00 C ATOM 591 C LYS A 47 2.927 1.849 8.516 1.00 0.00 C ATOM 592 O LYS A 47 1.967 1.550 9.226 1.00 0.00 O ATOM 593 CB LYS A 47 5.063 0.554 8.612 1.00 0.00 C ATOM 594 CG LYS A 47 4.847 0.185 10.070 1.00 0.00 C ATOM 595 CD LYS A 47 4.377 -1.251 10.218 1.00 0.00 C ATOM 596 CE LYS A 47 3.446 -1.415 11.408 1.00 0.00 C ATOM 597 NZ LYS A 47 2.828 -2.769 11.450 1.00 0.00 N ATOM 0 H LYS A 47 5.020 1.417 6.290 1.00 0.00 H new ATOM 0 HA LYS A 47 3.192 -0.157 7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.637 -0.236 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.663 1.462 8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.776 0.323 10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.111 0.857 10.511 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.864 -1.562 9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.240 -1.906 10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.002 -1.241 12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.662 -0.660 11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.201 -2.839 12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.276 -2.926 10.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.575 -3.489 11.521 1.00 0.00 H new ATOM 611 N SER A 48 3.301 3.102 8.293 1.00 0.00 N ATOM 612 CA SER A 48 2.588 4.227 8.883 1.00 0.00 C ATOM 613 C SER A 48 2.967 5.533 8.198 1.00 0.00 C ATOM 614 O SER A 48 4.146 5.870 8.085 1.00 0.00 O ATOM 615 CB SER A 48 2.884 4.317 10.381 1.00 0.00 C ATOM 616 OG SER A 48 1.915 3.609 11.137 1.00 0.00 O ATOM 0 H SER A 48 4.094 3.365 7.708 1.00 0.00 H new ATOM 0 HA SER A 48 1.520 4.062 8.740 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.875 3.911 10.584 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.898 5.362 10.690 1.00 0.00 H new ATOM 0 HG SER A 48 1.701 2.765 10.687 1.00 0.00 H new ATOM 622 N ILE A 49 1.958 6.264 7.738 1.00 0.00 N ATOM 623 CA ILE A 49 2.180 7.532 7.059 1.00 0.00 C ATOM 624 C ILE A 49 2.145 8.698 8.038 1.00 0.00 C ATOM 625 O ILE A 49 1.133 8.948 8.692 1.00 0.00 O ATOM 626 CB ILE A 49 1.132 7.763 5.951 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.204 6.637 4.923 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.332 9.115 5.275 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.183 6.768 3.816 1.00 0.00 C ATOM 0 H ILE A 49 0.977 5.998 7.824 1.00 0.00 H new ATOM 0 HA ILE A 49 3.170 7.481 6.606 1.00 0.00 H new ATOM 0 HB ILE A 49 0.143 7.764 6.410 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.202 6.618 4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.059 5.683 5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.578 9.249 4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.236 9.910 6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.325 9.155 4.827 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.291 5.935 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.820 6.757 4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.341 7.706 3.284 1.00 0.00 H new ATOM 641 N ILE A 50 3.262 9.410 8.125 1.00 0.00 N ATOM 642 CA ILE A 50 3.374 10.561 9.012 1.00 0.00 C ATOM 643 C ILE A 50 2.323 11.610 8.664 1.00 0.00 C ATOM 644 O ILE A 50 2.488 12.367 7.709 1.00 0.00 O ATOM 645 CB ILE A 50 4.785 11.194 8.929 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.812 10.294 9.617 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.803 12.587 9.554 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.810 9.667 8.669 1.00 0.00 C ATOM 0 H ILE A 50 4.107 9.209 7.589 1.00 0.00 H new ATOM 0 HA ILE A 50 3.208 10.210 10.031 1.00 0.00 H new ATOM 0 HB ILE A 50 5.048 11.292 7.876 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.351 10.879 10.362 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.287 9.503 10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.807 13.006 9.481 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.101 13.232 9.025 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.514 12.519 10.603 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.504 9.043 9.232 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.282 9.054 7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.363 10.451 8.152 1.00 0.00 H new ATOM 660 N ASN A 51 1.246 11.648 9.444 1.00 0.00 N ATOM 661 CA ASN A 51 0.171 12.609 9.214 1.00 0.00 C ATOM 662 C ASN A 51 0.698 14.036 9.311 1.00 0.00 C ATOM 663 O ASN A 51 0.557 14.697 10.340 1.00 0.00 O ATOM 664 CB ASN A 51 -0.961 12.398 10.222 1.00 0.00 C ATOM 665 CG ASN A 51 -0.451 12.238 11.641 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.227 10.996 12.052 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -0.259 13.220 12.358 1.00 0.00 N flip ATOM 0 H ASN A 51 1.095 11.027 10.239 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.220 12.449 8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.645 13.246 10.178 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.532 11.513 9.942 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.445 14.157 12.000 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.086 13.097 13.310 1.00 0.00 H new ATOM 674 N GLY A 52 1.313 14.498 8.230 1.00 0.00 N ATOM 675 CA GLY A 52 1.868 15.834 8.194 1.00 0.00 C ATOM 676 C GLY A 52 3.016 15.935 7.212 1.00 0.00 C ATOM 677 O GLY A 52 3.248 16.992 6.623 1.00 0.00 O ATOM 0 H GLY A 52 1.437 13.964 7.370 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.089 16.545 7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.215 16.111 9.189 1.00 0.00 H new ATOM 681 N GLY A 53 3.733 14.828 7.032 1.00 0.00 N ATOM 682 CA GLY A 53 4.849 14.814 6.110 1.00 0.00 C ATOM 683 C GLY A 53 4.423 15.064 4.676 1.00 0.00 C ATOM 684 O GLY A 53 3.256 15.348 4.405 1.00 0.00 O ATOM 0 H GLY A 53 3.559 13.943 7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.572 15.574 6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.355 13.851 6.172 1.00 0.00 H new ATOM 688 N ALA A 54 5.375 14.964 3.759 1.00 0.00 N ATOM 689 CA ALA A 54 5.116 15.187 2.343 1.00 0.00 C ATOM 690 C ALA A 54 4.171 14.142 1.757 1.00 0.00 C ATOM 691 O ALA A 54 3.352 14.451 0.890 1.00 0.00 O ATOM 692 CB ALA A 54 6.425 15.194 1.578 1.00 0.00 C ATOM 0 H ALA A 54 6.344 14.727 3.974 1.00 0.00 H new ATOM 0 HA ALA A 54 4.626 16.156 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.227 15.361 0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.064 15.991 1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.927 14.235 1.706 1.00 0.00 H new ATOM 698 N ALA A 55 4.294 12.906 2.220 1.00 0.00 N ATOM 699 CA ALA A 55 3.458 11.821 1.725 1.00 0.00 C ATOM 700 C ALA A 55 2.007 11.993 2.153 1.00 0.00 C ATOM 701 O ALA A 55 1.090 11.845 1.344 1.00 0.00 O ATOM 702 CB ALA A 55 3.999 10.484 2.196 1.00 0.00 C ATOM 0 H ALA A 55 4.964 12.629 2.937 1.00 0.00 H new ATOM 0 HA ALA A 55 3.484 11.848 0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.365 9.682 1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.014 10.350 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.007 10.458 3.286 1.00 0.00 H new ATOM 708 N SER A 56 1.802 12.314 3.423 1.00 0.00 N ATOM 709 CA SER A 56 0.456 12.511 3.943 1.00 0.00 C ATOM 710 C SER A 56 -0.176 13.741 3.304 1.00 0.00 C ATOM 711 O SER A 56 -1.393 13.815 3.134 1.00 0.00 O ATOM 712 CB SER A 56 0.487 12.669 5.462 1.00 0.00 C ATOM 713 OG SER A 56 -0.676 12.120 6.056 1.00 0.00 O ATOM 0 H SER A 56 2.546 12.443 4.109 1.00 0.00 H new ATOM 0 HA SER A 56 -0.143 11.634 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.372 12.176 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.566 13.725 5.719 1.00 0.00 H new ATOM 0 HG SER A 56 -1.243 12.844 6.394 1.00 0.00 H new ATOM 719 N LYS A 57 0.668 14.704 2.947 1.00 0.00 N ATOM 720 CA LYS A 57 0.211 15.933 2.320 1.00 0.00 C ATOM 721 C LYS A 57 -0.221 15.683 0.882 1.00 0.00 C ATOM 722 O LYS A 57 -1.137 16.329 0.374 1.00 0.00 O ATOM 723 CB LYS A 57 1.313 16.973 2.370 1.00 0.00 C ATOM 724 CG LYS A 57 1.444 17.596 3.740 1.00 0.00 C ATOM 725 CD LYS A 57 2.572 18.596 3.780 1.00 0.00 C ATOM 726 CE LYS A 57 2.063 20.000 3.507 1.00 0.00 C ATOM 727 NZ LYS A 57 3.020 21.041 3.973 1.00 0.00 N ATOM 0 H LYS A 57 1.678 14.653 3.084 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.655 16.303 2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.260 16.511 2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.109 17.752 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.509 18.088 4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.619 16.816 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.057 18.564 4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.327 18.328 3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.888 20.121 2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.104 20.141 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.634 21.985 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.168 20.943 4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.928 20.924 3.480 1.00 0.00 H new ATOM 741 N ASP A 58 0.446 14.732 0.232 1.00 0.00 N ATOM 742 CA ASP A 58 0.133 14.383 -1.146 1.00 0.00 C ATOM 743 C ASP A 58 -1.328 13.964 -1.280 1.00 0.00 C ATOM 744 O ASP A 58 -1.948 14.156 -2.327 1.00 0.00 O ATOM 745 CB ASP A 58 1.045 13.253 -1.627 1.00 0.00 C ATOM 746 CG ASP A 58 1.506 13.452 -3.056 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.876 14.590 -3.405 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.498 12.468 -3.825 1.00 0.00 O ATOM 0 H ASP A 58 1.207 14.190 0.641 1.00 0.00 H new ATOM 0 HA ASP A 58 0.300 15.264 -1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.915 13.188 -0.973 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.515 12.304 -1.548 1.00 0.00 H new ATOM 753 N GLY A 59 -1.873 13.399 -0.209 1.00 0.00 N ATOM 754 CA GLY A 59 -3.258 12.965 -0.220 1.00 0.00 C ATOM 755 C GLY A 59 -3.490 11.741 -1.086 1.00 0.00 C ATOM 756 O GLY A 59 -4.630 11.435 -1.440 1.00 0.00 O ATOM 0 H GLY A 59 -1.380 13.233 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.572 12.746 0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.886 13.781 -0.578 1.00 0.00 H new ATOM 760 N ARG A 60 -2.417 11.031 -1.426 1.00 0.00 N ATOM 761 CA ARG A 60 -2.528 9.834 -2.253 1.00 0.00 C ATOM 762 C ARG A 60 -1.806 8.651 -1.612 1.00 0.00 C ATOM 763 O ARG A 60 -1.817 7.544 -2.149 1.00 0.00 O ATOM 764 CB ARG A 60 -1.954 10.094 -3.645 1.00 0.00 C ATOM 765 CG ARG A 60 -2.534 11.323 -4.323 1.00 0.00 C ATOM 766 CD ARG A 60 -1.511 11.997 -5.222 1.00 0.00 C ATOM 767 NE ARG A 60 -1.010 13.240 -4.641 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.555 14.265 -5.359 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.512 14.195 -6.685 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.131 15.365 -4.749 1.00 0.00 N ATOM 0 H ARG A 60 -1.465 11.263 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.586 9.587 -2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.873 10.209 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.138 9.222 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.406 11.038 -4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.877 12.029 -3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.678 11.317 -5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.962 12.206 -6.192 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.009 13.328 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.829 13.351 -7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.162 14.985 -7.226 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.154 15.425 -3.731 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.218 16.151 -5.298 1.00 0.00 H new ATOM 784 N LEU A 61 -1.174 8.889 -0.466 1.00 0.00 N ATOM 785 CA LEU A 61 -0.446 7.842 0.232 1.00 0.00 C ATOM 786 C LEU A 61 -1.298 7.201 1.321 1.00 0.00 C ATOM 787 O LEU A 61 -1.819 7.883 2.201 1.00 0.00 O ATOM 788 CB LEU A 61 0.841 8.404 0.834 1.00 0.00 C ATOM 789 CG LEU A 61 2.100 8.111 0.018 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.721 9.400 -0.496 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.105 7.320 0.844 1.00 0.00 C ATOM 0 H LEU A 61 -1.153 9.798 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.194 7.070 -0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.736 9.484 0.942 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.968 7.994 1.836 1.00 0.00 H new ATOM 0 HG LEU A 61 1.815 7.505 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.616 9.168 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.004 9.921 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.989 10.036 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.993 7.122 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.384 7.896 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.658 6.375 1.153 1.00 0.00 H new ATOM 803 N ARG A 62 -1.429 5.881 1.249 1.00 0.00 N ATOM 804 CA ARG A 62 -2.207 5.130 2.222 1.00 0.00 C ATOM 805 C ARG A 62 -1.388 3.970 2.783 1.00 0.00 C ATOM 806 O ARG A 62 -0.646 3.311 2.055 1.00 0.00 O ATOM 807 CB ARG A 62 -3.493 4.608 1.590 1.00 0.00 C ATOM 808 CG ARG A 62 -3.246 3.676 0.426 1.00 0.00 C ATOM 809 CD ARG A 62 -3.101 4.441 -0.878 1.00 0.00 C ATOM 810 NE ARG A 62 -4.382 4.947 -1.363 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.822 6.185 -1.149 1.00 0.00 C ATOM 812 NH1 ARG A 62 -4.100 7.051 -0.451 1.00 0.00 N ATOM 813 NH2 ARG A 62 -5.994 6.560 -1.635 1.00 0.00 N ATOM 0 H ARG A 62 -1.003 5.308 0.521 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.468 5.800 3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.077 4.086 2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.093 5.453 1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.343 3.094 0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.071 2.968 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.413 5.274 -0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.660 3.790 -1.633 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.976 4.313 -1.898 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.196 6.772 -0.071 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.449 7.997 -0.294 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.558 5.901 -2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.334 7.508 -1.473 1.00 0.00 H new ATOM 827 N VAL A 63 -1.523 3.733 4.082 1.00 0.00 N ATOM 828 CA VAL A 63 -0.794 2.661 4.748 1.00 0.00 C ATOM 829 C VAL A 63 -1.160 1.293 4.171 1.00 0.00 C ATOM 830 O VAL A 63 -2.275 1.098 3.690 1.00 0.00 O ATOM 831 CB VAL A 63 -1.070 2.675 6.266 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.221 1.641 6.990 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.818 4.063 6.836 1.00 0.00 C ATOM 0 H VAL A 63 -2.133 4.271 4.697 1.00 0.00 H new ATOM 0 HA VAL A 63 0.268 2.834 4.575 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.117 2.416 6.421 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.438 1.675 8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.450 0.648 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.835 1.858 6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.017 4.058 7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.220 4.345 6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.477 4.782 6.348 1.00 0.00 H new ATOM 843 N ASN A 64 -0.206 0.356 4.228 1.00 0.00 N ATOM 844 CA ASN A 64 -0.394 -1.009 3.724 1.00 0.00 C ATOM 845 C ASN A 64 -0.148 -1.101 2.219 1.00 0.00 C ATOM 846 O ASN A 64 -0.308 -2.169 1.625 1.00 0.00 O ATOM 847 CB ASN A 64 -1.789 -1.554 4.062 1.00 0.00 C ATOM 848 CG ASN A 64 -1.836 -2.207 5.430 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.179 -3.219 5.670 1.00 0.00 O ATOM 850 ND2 ASN A 64 -2.616 -1.627 6.336 1.00 0.00 N ATOM 0 H ASN A 64 0.718 0.523 4.625 1.00 0.00 H new ATOM 0 HA ASN A 64 0.349 -1.627 4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.513 -0.740 4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.086 -2.280 3.305 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.687 -2.020 7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.143 -0.788 6.093 1.00 0.00 H new ATOM 857 N ASP A 65 0.257 0.006 1.602 1.00 0.00 N ATOM 858 CA ASP A 65 0.535 0.013 0.171 1.00 0.00 C ATOM 859 C ASP A 65 1.927 -0.546 -0.100 1.00 0.00 C ATOM 860 O ASP A 65 2.930 0.008 0.354 1.00 0.00 O ATOM 861 CB ASP A 65 0.415 1.428 -0.390 1.00 0.00 C ATOM 862 CG ASP A 65 -0.961 1.699 -0.966 1.00 0.00 C ATOM 863 OD1 ASP A 65 -1.953 1.221 -0.378 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.045 2.386 -2.005 1.00 0.00 O ATOM 0 H ASP A 65 0.399 0.903 2.067 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.199 -0.620 -0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.625 2.149 0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.167 1.575 -1.165 1.00 0.00 H new ATOM 869 N GLN A 66 1.985 -1.654 -0.833 1.00 0.00 N ATOM 870 CA GLN A 66 3.256 -2.296 -1.152 1.00 0.00 C ATOM 871 C GLN A 66 4.005 -1.530 -2.236 1.00 0.00 C ATOM 872 O GLN A 66 3.551 -1.443 -3.375 1.00 0.00 O ATOM 873 CB GLN A 66 3.018 -3.738 -1.599 1.00 0.00 C ATOM 874 CG GLN A 66 4.243 -4.629 -1.460 1.00 0.00 C ATOM 875 CD GLN A 66 5.038 -4.732 -2.747 1.00 0.00 C ATOM 876 OE1 GLN A 66 6.353 -4.585 -2.642 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 4.477 -4.942 -3.822 1.00 0.00 N flip ATOM 0 H GLN A 66 1.166 -2.126 -1.217 1.00 0.00 H new ATOM 0 HA GLN A 66 3.870 -2.295 -0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.203 -4.161 -1.012 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.695 -3.738 -2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.885 -4.237 -0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.929 -5.626 -1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.463 -5.049 -3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.026 -5.009 -4.679 1.00 0.00 H new ATOM 886 N LEU A 67 5.156 -0.979 -1.876 1.00 0.00 N ATOM 887 CA LEU A 67 5.966 -0.221 -2.822 1.00 0.00 C ATOM 888 C LEU A 67 6.451 -1.106 -3.963 1.00 0.00 C ATOM 889 O LEU A 67 6.622 -2.314 -3.799 1.00 0.00 O ATOM 890 CB LEU A 67 7.162 0.408 -2.110 1.00 0.00 C ATOM 891 CG LEU A 67 6.821 1.187 -0.841 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.090 1.607 -0.117 1.00 0.00 C ATOM 893 CD2 LEU A 67 5.960 2.397 -1.178 1.00 0.00 C ATOM 0 H LEU A 67 5.550 -1.042 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 67 5.341 0.568 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.870 -0.381 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.668 1.078 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 67 6.251 0.538 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.828 2.161 0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.664 0.721 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.689 2.241 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.725 2.942 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.502 3.051 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.035 2.065 -1.651 1.00 0.00 H new ATOM 905 N ILE A 68 6.674 -0.494 -5.120 1.00 0.00 N ATOM 906 CA ILE A 68 7.142 -1.222 -6.292 1.00 0.00 C ATOM 907 C ILE A 68 8.240 -0.452 -7.016 1.00 0.00 C ATOM 908 O ILE A 68 9.248 -1.028 -7.426 1.00 0.00 O ATOM 909 CB ILE A 68 5.993 -1.501 -7.278 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.791 -2.095 -6.543 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.461 -2.436 -8.383 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.503 -2.018 -7.332 1.00 0.00 C ATOM 0 H ILE A 68 6.538 0.506 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 68 7.542 -2.171 -5.934 1.00 0.00 H new ATOM 0 HB ILE A 68 5.686 -0.558 -7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.000 -3.138 -6.305 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.659 -1.572 -5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.638 -2.625 -9.073 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.289 -1.976 -8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.792 -3.378 -7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.693 -2.458 -6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.270 -0.975 -7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.616 -2.566 -8.268 1.00 0.00 H new ATOM 924 N ALA A 69 8.041 0.854 -7.172 1.00 0.00 N ATOM 925 CA ALA A 69 9.021 1.694 -7.852 1.00 0.00 C ATOM 926 C ALA A 69 9.120 3.070 -7.203 1.00 0.00 C ATOM 927 O ALA A 69 8.151 3.573 -6.633 1.00 0.00 O ATOM 928 CB ALA A 69 8.669 1.828 -9.325 1.00 0.00 C ATOM 0 H ALA A 69 7.215 1.351 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 69 9.995 1.212 -7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.409 2.457 -9.820 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.663 0.842 -9.789 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.683 2.281 -9.424 1.00 0.00 H new ATOM 934 N VAL A 70 10.299 3.675 -7.298 1.00 0.00 N ATOM 935 CA VAL A 70 10.534 4.995 -6.728 1.00 0.00 C ATOM 936 C VAL A 70 11.404 5.839 -7.655 1.00 0.00 C ATOM 937 O VAL A 70 12.560 5.504 -7.914 1.00 0.00 O ATOM 938 CB VAL A 70 11.211 4.899 -5.345 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.565 4.214 -5.457 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.353 6.279 -4.719 1.00 0.00 C ATOM 0 H VAL A 70 11.109 3.270 -7.767 1.00 0.00 H new ATOM 0 HA VAL A 70 9.561 5.472 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 70 10.578 4.295 -4.695 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.026 4.156 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.432 3.208 -5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.208 4.786 -6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.833 6.189 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.961 6.911 -5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.367 6.727 -4.598 1.00 0.00 H new ATOM 950 N ASN A 71 10.839 6.932 -8.158 1.00 0.00 N ATOM 951 CA ASN A 71 11.564 7.821 -9.062 1.00 0.00 C ATOM 952 C ASN A 71 12.092 7.052 -10.270 1.00 0.00 C ATOM 953 O ASN A 71 13.290 7.070 -10.556 1.00 0.00 O ATOM 954 CB ASN A 71 12.724 8.497 -8.327 1.00 0.00 C ATOM 955 CG ASN A 71 12.260 9.338 -7.156 1.00 0.00 C ATOM 956 OD1 ASN A 71 11.614 10.371 -7.335 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.590 8.901 -5.948 1.00 0.00 N ATOM 0 H ASN A 71 9.883 7.224 -7.956 1.00 0.00 H new ATOM 0 HA ASN A 71 10.871 8.586 -9.413 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.417 7.735 -7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.275 9.126 -9.026 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.307 9.426 -5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.126 8.039 -5.846 1.00 0.00 H new ATOM 964 N GLY A 72 11.193 6.374 -10.972 1.00 0.00 N ATOM 965 CA GLY A 72 11.590 5.605 -12.138 1.00 0.00 C ATOM 966 C GLY A 72 12.582 4.508 -11.798 1.00 0.00 C ATOM 967 O GLY A 72 13.273 3.996 -12.679 1.00 0.00 O ATOM 0 H GLY A 72 10.197 6.342 -10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.706 5.162 -12.596 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.031 6.273 -12.878 1.00 0.00 H new ATOM 971 N GLU A 73 12.653 4.146 -10.520 1.00 0.00 N ATOM 972 CA GLU A 73 13.567 3.102 -10.070 1.00 0.00 C ATOM 973 C GLU A 73 12.798 1.931 -9.468 1.00 0.00 C ATOM 974 O GLU A 73 12.551 1.890 -8.262 1.00 0.00 O ATOM 975 CB GLU A 73 14.548 3.665 -9.039 1.00 0.00 C ATOM 976 CG GLU A 73 15.166 4.993 -9.449 1.00 0.00 C ATOM 977 CD GLU A 73 16.681 4.944 -9.490 1.00 0.00 C ATOM 978 OE1 GLU A 73 17.289 4.545 -8.473 1.00 0.00 O ATOM 979 OE2 GLU A 73 17.259 5.305 -10.536 1.00 0.00 O ATOM 0 H GLU A 73 12.088 4.560 -9.778 1.00 0.00 H new ATOM 0 HA GLU A 73 14.125 2.743 -10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.030 3.793 -8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.344 2.939 -8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.789 5.277 -10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.850 5.768 -8.750 1.00 0.00 H new ATOM 986 N SER A 74 12.421 0.979 -10.316 1.00 0.00 N ATOM 987 CA SER A 74 11.679 -0.194 -9.867 1.00 0.00 C ATOM 988 C SER A 74 12.496 -1.010 -8.871 1.00 0.00 C ATOM 989 O SER A 74 13.571 -1.513 -9.198 1.00 0.00 O ATOM 990 CB SER A 74 11.293 -1.067 -11.063 1.00 0.00 C ATOM 991 OG SER A 74 10.589 -0.316 -12.037 1.00 0.00 O ATOM 0 H SER A 74 12.617 0.997 -11.317 1.00 0.00 H new ATOM 0 HA SER A 74 10.773 0.151 -9.368 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.190 -1.496 -11.509 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.676 -1.900 -10.725 1.00 0.00 H new ATOM 0 HG SER A 74 10.355 -0.896 -12.791 1.00 0.00 H new ATOM 997 N LEU A 75 11.978 -1.138 -7.653 1.00 0.00 N ATOM 998 CA LEU A 75 12.659 -1.896 -6.608 1.00 0.00 C ATOM 999 C LEU A 75 12.564 -3.398 -6.864 1.00 0.00 C ATOM 1000 O LEU A 75 13.313 -4.182 -6.280 1.00 0.00 O ATOM 1001 CB LEU A 75 12.065 -1.566 -5.238 1.00 0.00 C ATOM 1002 CG LEU A 75 11.855 -0.078 -4.960 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.629 0.133 -4.086 1.00 0.00 C ATOM 1004 CD2 LEU A 75 13.090 0.518 -4.302 1.00 0.00 C ATOM 0 H LEU A 75 11.090 -0.727 -7.365 1.00 0.00 H new ATOM 0 HA LEU A 75 13.711 -1.611 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.106 -2.076 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.720 -1.974 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 75 11.691 0.432 -5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.495 1.198 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.748 -0.260 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.764 -0.388 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.924 1.578 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.284 0.005 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.948 0.398 -4.963 1.00 0.00 H new ATOM 1016 N LEU A 76 11.640 -3.796 -7.737 1.00 0.00 N ATOM 1017 CA LEU A 76 11.451 -5.206 -8.064 1.00 0.00 C ATOM 1018 C LEU A 76 12.764 -5.851 -8.497 1.00 0.00 C ATOM 1019 O LEU A 76 13.121 -5.830 -9.675 1.00 0.00 O ATOM 1020 CB LEU A 76 10.400 -5.356 -9.169 1.00 0.00 C ATOM 1021 CG LEU A 76 9.188 -6.212 -8.796 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.400 -5.559 -7.670 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.301 -6.435 -10.011 1.00 0.00 C ATOM 0 H LEU A 76 11.011 -3.161 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 76 11.102 -5.717 -7.167 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.051 -4.364 -9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.877 -5.791 -10.047 1.00 0.00 H new ATOM 0 HG LEU A 76 9.544 -7.182 -8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.542 -6.182 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.039 -5.450 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.054 -4.576 -7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.444 -7.046 -9.728 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.953 -5.474 -10.389 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.870 -6.946 -10.788 1.00 0.00 H new ATOM 1035 N GLY A 77 13.482 -6.419 -7.534 1.00 0.00 N ATOM 1036 CA GLY A 77 14.749 -7.061 -7.828 1.00 0.00 C ATOM 1037 C GLY A 77 15.688 -7.050 -6.638 1.00 0.00 C ATOM 1038 O GLY A 77 16.528 -7.938 -6.491 1.00 0.00 O ATOM 0 H GLY A 77 13.208 -6.446 -6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.569 -8.091 -8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.224 -6.555 -8.668 1.00 0.00 H new ATOM 1042 N LYS A 78 15.542 -6.041 -5.785 1.00 0.00 N ATOM 1043 CA LYS A 78 16.377 -5.913 -4.597 1.00 0.00 C ATOM 1044 C LYS A 78 15.596 -6.261 -3.345 1.00 0.00 C ATOM 1045 O LYS A 78 14.371 -6.153 -3.307 1.00 0.00 O ATOM 1046 CB LYS A 78 16.936 -4.493 -4.488 1.00 0.00 C ATOM 1047 CG LYS A 78 15.862 -3.420 -4.423 1.00 0.00 C ATOM 1048 CD LYS A 78 16.469 -2.026 -4.363 1.00 0.00 C ATOM 1049 CE LYS A 78 17.152 -1.657 -5.670 1.00 0.00 C ATOM 1050 NZ LYS A 78 16.232 -0.940 -6.597 1.00 0.00 N ATOM 0 H LYS A 78 14.851 -5.299 -5.895 1.00 0.00 H new ATOM 0 HA LYS A 78 17.206 -6.614 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.560 -4.425 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.581 -4.298 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.214 -3.499 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.236 -3.583 -3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.689 -1.298 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.191 -1.978 -3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.019 -1.029 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.522 -2.561 -6.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.962 -1.573 -7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.379 -0.645 -6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.711 -0.101 -6.982 1.00 0.00 H new ATOM 1064 N ALA A 79 16.321 -6.684 -2.320 1.00 0.00 N ATOM 1065 CA ALA A 79 15.718 -7.057 -1.053 1.00 0.00 C ATOM 1066 C ALA A 79 14.847 -5.932 -0.501 1.00 0.00 C ATOM 1067 O ALA A 79 15.033 -4.766 -0.845 1.00 0.00 O ATOM 1068 CB ALA A 79 16.809 -7.429 -0.066 1.00 0.00 C ATOM 0 H ALA A 79 17.336 -6.777 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 79 15.070 -7.918 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.358 -7.709 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.383 -8.269 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.471 -6.576 0.083 1.00 0.00 H new ATOM 1074 N ASN A 80 13.891 -6.293 0.349 1.00 0.00 N ATOM 1075 CA ASN A 80 12.986 -5.313 0.942 1.00 0.00 C ATOM 1076 C ASN A 80 13.757 -4.188 1.624 1.00 0.00 C ATOM 1077 O ASN A 80 13.402 -3.018 1.501 1.00 0.00 O ATOM 1078 CB ASN A 80 12.050 -5.990 1.949 1.00 0.00 C ATOM 1079 CG ASN A 80 12.767 -6.991 2.834 1.00 0.00 C ATOM 1080 OD1 ASN A 80 13.944 -6.826 3.154 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.058 -8.039 3.238 1.00 0.00 N ATOM 0 H ASN A 80 13.723 -7.255 0.643 1.00 0.00 H new ATOM 0 HA ASN A 80 12.392 -4.880 0.137 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.583 -5.228 2.573 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.249 -6.496 1.411 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.487 -8.745 3.837 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.085 -8.138 2.950 1.00 0.00 H new ATOM 1088 N GLN A 81 14.813 -4.550 2.346 1.00 0.00 N ATOM 1089 CA GLN A 81 15.628 -3.564 3.046 1.00 0.00 C ATOM 1090 C GLN A 81 16.357 -2.661 2.057 1.00 0.00 C ATOM 1091 O GLN A 81 16.492 -1.455 2.279 1.00 0.00 O ATOM 1092 CB GLN A 81 16.636 -4.255 3.965 1.00 0.00 C ATOM 1093 CG GLN A 81 17.477 -5.304 3.266 1.00 0.00 C ATOM 1094 CD GLN A 81 18.699 -4.716 2.590 1.00 0.00 C ATOM 1095 OE1 GLN A 81 19.033 -5.240 1.418 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 19.335 -3.803 3.115 1.00 0.00 N flip ATOM 0 H GLN A 81 15.123 -5.515 2.461 1.00 0.00 H new ATOM 0 HA GLN A 81 14.963 -2.948 3.652 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.295 -3.503 4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.100 -4.723 4.791 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.793 -6.053 3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.867 -5.817 2.523 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.041 -3.431 4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 81 20.156 -3.419 2.647 1.00 0.00 H new ATOM 1105 N GLU A 82 16.814 -3.249 0.956 1.00 0.00 N ATOM 1106 CA GLU A 82 17.517 -2.499 -0.074 1.00 0.00 C ATOM 1107 C GLU A 82 16.554 -1.569 -0.792 1.00 0.00 C ATOM 1108 O GLU A 82 16.924 -0.479 -1.223 1.00 0.00 O ATOM 1109 CB GLU A 82 18.177 -3.453 -1.073 1.00 0.00 C ATOM 1110 CG GLU A 82 19.697 -3.403 -1.051 1.00 0.00 C ATOM 1111 CD GLU A 82 20.279 -2.780 -2.303 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.383 -1.535 -2.355 1.00 0.00 O ATOM 1113 OE2 GLU A 82 20.633 -3.535 -3.233 1.00 0.00 O ATOM 0 H GLU A 82 16.709 -4.244 0.756 1.00 0.00 H new ATOM 0 HA GLU A 82 18.296 -1.901 0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.852 -4.471 -0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.829 -3.212 -2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.025 -2.835 -0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.088 -4.414 -0.937 1.00 0.00 H new ATOM 1120 N ALA A 83 15.309 -2.015 -0.916 1.00 0.00 N ATOM 1121 CA ALA A 83 14.285 -1.229 -1.578 1.00 0.00 C ATOM 1122 C ALA A 83 13.924 -0.004 -0.749 1.00 0.00 C ATOM 1123 O ALA A 83 13.845 1.110 -1.269 1.00 0.00 O ATOM 1124 CB ALA A 83 13.054 -2.079 -1.848 1.00 0.00 C ATOM 0 H ALA A 83 14.988 -2.918 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 83 14.681 -0.885 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.296 -1.474 -2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.325 -2.919 -2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.657 -2.455 -0.905 1.00 0.00 H new ATOM 1130 N MET A 84 13.715 -0.215 0.544 1.00 0.00 N ATOM 1131 CA MET A 84 13.373 0.878 1.447 1.00 0.00 C ATOM 1132 C MET A 84 14.515 1.885 1.516 1.00 0.00 C ATOM 1133 O MET A 84 14.290 3.084 1.677 1.00 0.00 O ATOM 1134 CB MET A 84 13.047 0.350 2.843 1.00 0.00 C ATOM 1135 CG MET A 84 14.117 -0.560 3.421 1.00 0.00 C ATOM 1136 SD MET A 84 13.690 -1.169 5.064 1.00 0.00 S ATOM 1137 CE MET A 84 11.934 -1.467 4.870 1.00 0.00 C ATOM 0 H MET A 84 13.776 -1.130 0.991 1.00 0.00 H new ATOM 0 HA MET A 84 12.487 1.378 1.056 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.900 1.195 3.516 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.103 -0.194 2.804 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.270 -1.406 2.752 1.00 0.00 H new ATOM 0 HG3 MET A 84 15.062 -0.019 3.472 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.534 -1.898 5.788 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.426 -0.526 4.660 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.772 -2.159 4.044 1.00 0.00 H new ATOM 1147 N GLU A 85 15.741 1.392 1.374 1.00 0.00 N ATOM 1148 CA GLU A 85 16.912 2.258 1.397 1.00 0.00 C ATOM 1149 C GLU A 85 17.085 2.918 0.033 1.00 0.00 C ATOM 1150 O GLU A 85 17.555 4.051 -0.072 1.00 0.00 O ATOM 1151 CB GLU A 85 18.167 1.459 1.783 1.00 0.00 C ATOM 1152 CG GLU A 85 19.068 1.094 0.610 1.00 0.00 C ATOM 1153 CD GLU A 85 19.975 -0.083 0.912 1.00 0.00 C ATOM 1154 OE1 GLU A 85 20.099 -0.447 2.100 1.00 0.00 O ATOM 1155 OE2 GLU A 85 20.560 -0.641 -0.040 1.00 0.00 O ATOM 0 H GLU A 85 15.948 0.402 1.242 1.00 0.00 H new ATOM 0 HA GLU A 85 16.768 3.035 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.745 2.039 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.859 0.543 2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.451 0.859 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.677 1.957 0.343 1.00 0.00 H new ATOM 1162 N THR A 86 16.687 2.193 -1.009 1.00 0.00 N ATOM 1163 CA THR A 86 16.775 2.688 -2.375 1.00 0.00 C ATOM 1164 C THR A 86 15.785 3.830 -2.589 1.00 0.00 C ATOM 1165 O THR A 86 16.080 4.798 -3.290 1.00 0.00 O ATOM 1166 CB THR A 86 16.504 1.544 -3.359 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.652 0.728 -3.502 1.00 0.00 O ATOM 1168 CG2 THR A 86 16.101 2.006 -4.745 1.00 0.00 C ATOM 0 H THR A 86 16.298 1.254 -0.929 1.00 0.00 H new ATOM 0 HA THR A 86 17.780 3.072 -2.552 1.00 0.00 H new ATOM 0 HB THR A 86 15.668 0.994 -2.926 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.711 0.110 -2.744 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.927 1.138 -5.381 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.188 2.597 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.898 2.615 -5.172 1.00 0.00 H new ATOM 1176 N LEU A 87 14.617 3.720 -1.961 1.00 0.00 N ATOM 1177 CA LEU A 87 13.598 4.755 -2.067 1.00 0.00 C ATOM 1178 C LEU A 87 13.958 5.912 -1.153 1.00 0.00 C ATOM 1179 O LEU A 87 13.716 7.076 -1.468 1.00 0.00 O ATOM 1180 CB LEU A 87 12.215 4.199 -1.711 1.00 0.00 C ATOM 1181 CG LEU A 87 12.081 3.624 -0.299 1.00 0.00 C ATOM 1182 CD1 LEU A 87 11.961 4.741 0.730 1.00 0.00 C ATOM 1183 CD2 LEU A 87 10.880 2.696 -0.221 1.00 0.00 C ATOM 0 H LEU A 87 14.355 2.927 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 87 13.559 5.108 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.480 4.995 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.960 3.419 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 87 12.980 3.051 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.867 4.309 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.850 5.370 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.080 5.344 0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.796 2.294 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.975 3.251 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.007 1.877 -0.929 1.00 0.00 H new ATOM 1195 N ARG A 88 14.550 5.565 -0.016 1.00 0.00 N ATOM 1196 CA ARG A 88 14.974 6.543 0.970 1.00 0.00 C ATOM 1197 C ARG A 88 15.992 7.503 0.356 1.00 0.00 C ATOM 1198 O ARG A 88 15.868 8.722 0.478 1.00 0.00 O ATOM 1199 CB ARG A 88 15.557 5.809 2.184 1.00 0.00 C ATOM 1200 CG ARG A 88 16.851 6.402 2.725 1.00 0.00 C ATOM 1201 CD ARG A 88 17.102 5.979 4.163 1.00 0.00 C ATOM 1202 NE ARG A 88 17.620 7.077 4.974 1.00 0.00 N ATOM 1203 CZ ARG A 88 18.891 7.474 4.961 1.00 0.00 C ATOM 1204 NH1 ARG A 88 19.775 6.868 4.177 1.00 0.00 N ATOM 1205 NH2 ARG A 88 19.280 8.480 5.733 1.00 0.00 N ATOM 0 H ARG A 88 14.748 4.599 0.245 1.00 0.00 H new ATOM 0 HA ARG A 88 14.120 7.136 1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.814 5.806 2.981 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.736 4.769 1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.686 6.085 2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 88 16.805 7.490 2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.173 5.612 4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.811 5.151 4.179 1.00 0.00 H new ATOM 0 HE ARG A 88 16.970 7.569 5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 88 19.482 6.094 3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 88 20.747 7.176 4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.605 8.950 6.337 1.00 0.00 H new ATOM 0 HH22 ARG A 88 20.254 8.784 5.723 1.00 0.00 H new ATOM 1219 N ARG A 89 16.991 6.942 -0.313 1.00 0.00 N ATOM 1220 CA ARG A 89 18.018 7.746 -0.957 1.00 0.00 C ATOM 1221 C ARG A 89 17.446 8.424 -2.201 1.00 0.00 C ATOM 1222 O ARG A 89 17.704 9.597 -2.458 1.00 0.00 O ATOM 1223 CB ARG A 89 19.239 6.870 -1.296 1.00 0.00 C ATOM 1224 CG ARG A 89 19.517 6.685 -2.784 1.00 0.00 C ATOM 1225 CD ARG A 89 18.710 5.533 -3.362 1.00 0.00 C ATOM 1226 NE ARG A 89 19.525 4.663 -4.207 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.855 4.947 -5.465 1.00 0.00 C ATOM 1228 NH1 ARG A 89 19.443 6.076 -6.027 1.00 0.00 N ATOM 1229 NH2 ARG A 89 20.602 4.102 -6.160 1.00 0.00 N ATOM 0 H ARG A 89 17.111 5.935 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 89 18.350 8.528 -0.274 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.121 7.310 -0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.097 5.888 -0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.275 7.604 -3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.580 6.499 -2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.279 4.949 -2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.879 5.929 -3.945 1.00 0.00 H new ATOM 0 HE ARG A 89 19.861 3.786 -3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.871 6.731 -5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.699 6.289 -6.991 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.924 3.234 -5.731 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.855 4.319 -7.124 1.00 0.00 H new ATOM 1243 N SER A 90 16.662 7.670 -2.964 1.00 0.00 N ATOM 1244 CA SER A 90 16.047 8.189 -4.179 1.00 0.00 C ATOM 1245 C SER A 90 15.089 9.334 -3.866 1.00 0.00 C ATOM 1246 O SER A 90 14.885 10.224 -4.691 1.00 0.00 O ATOM 1247 CB SER A 90 15.302 7.073 -4.913 1.00 0.00 C ATOM 1248 OG SER A 90 14.871 7.502 -6.192 1.00 0.00 O ATOM 0 H SER A 90 16.437 6.696 -2.762 1.00 0.00 H new ATOM 0 HA SER A 90 16.841 8.573 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.953 6.205 -5.018 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.442 6.757 -4.323 1.00 0.00 H new ATOM 0 HG SER A 90 14.998 6.778 -6.840 1.00 0.00 H new ATOM 1254 N MET A 91 14.496 9.302 -2.678 1.00 0.00 N ATOM 1255 CA MET A 91 13.551 10.337 -2.268 1.00 0.00 C ATOM 1256 C MET A 91 14.264 11.541 -1.657 1.00 0.00 C ATOM 1257 O MET A 91 13.785 12.670 -1.754 1.00 0.00 O ATOM 1258 CB MET A 91 12.540 9.768 -1.271 1.00 0.00 C ATOM 1259 CG MET A 91 13.119 9.484 0.108 1.00 0.00 C ATOM 1260 SD MET A 91 11.856 9.045 1.316 1.00 0.00 S ATOM 1261 CE MET A 91 10.634 8.267 0.263 1.00 0.00 C ATOM 0 H MET A 91 14.652 8.573 -1.982 1.00 0.00 H new ATOM 0 HA MET A 91 13.026 10.675 -3.161 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.713 10.470 -1.168 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.126 8.845 -1.677 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.842 8.672 0.034 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.661 10.363 0.458 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.821 7.877 0.876 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.239 9.001 -0.440 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.097 7.449 -0.289 1.00 0.00 H new ATOM 1271 N SER A 92 15.401 11.295 -1.013 1.00 0.00 N ATOM 1272 CA SER A 92 16.161 12.366 -0.375 1.00 0.00 C ATOM 1273 C SER A 92 17.469 12.644 -1.109 1.00 0.00 C ATOM 1274 O SER A 92 18.457 13.053 -0.495 1.00 0.00 O ATOM 1275 CB SER A 92 16.453 12.003 1.083 1.00 0.00 C ATOM 1276 OG SER A 92 16.141 13.079 1.950 1.00 0.00 O ATOM 0 H SER A 92 15.815 10.368 -0.919 1.00 0.00 H new ATOM 0 HA SER A 92 15.555 13.271 -0.414 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.873 11.125 1.365 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.505 11.738 1.191 1.00 0.00 H new ATOM 0 HG SER A 92 16.335 12.821 2.875 1.00 0.00 H new ATOM 1282 N THR A 93 17.480 12.422 -2.418 1.00 0.00 N ATOM 1283 CA THR A 93 18.684 12.653 -3.210 1.00 0.00 C ATOM 1284 C THR A 93 18.372 12.843 -4.695 1.00 0.00 C ATOM 1285 O THR A 93 19.107 13.526 -5.404 1.00 0.00 O ATOM 1286 CB THR A 93 19.661 11.495 -2.998 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.957 11.978 -2.694 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.788 10.552 -4.178 1.00 0.00 C ATOM 0 H THR A 93 16.678 12.086 -2.950 1.00 0.00 H new ATOM 0 HA THR A 93 19.142 13.582 -2.870 1.00 0.00 H new ATOM 0 HB THR A 93 19.235 10.932 -2.167 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.565 11.221 -2.561 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.501 9.763 -3.938 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.816 10.109 -4.396 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.138 11.105 -5.050 1.00 0.00 H new ATOM 1296 N GLU A 94 17.294 12.229 -5.168 1.00 0.00 N ATOM 1297 CA GLU A 94 16.914 12.341 -6.572 1.00 0.00 C ATOM 1298 C GLU A 94 15.508 12.909 -6.716 1.00 0.00 C ATOM 1299 O GLU A 94 15.239 13.715 -7.606 1.00 0.00 O ATOM 1300 CB GLU A 94 17.007 10.980 -7.257 1.00 0.00 C ATOM 1301 CG GLU A 94 18.290 10.239 -6.931 1.00 0.00 C ATOM 1302 CD GLU A 94 18.749 9.339 -8.060 1.00 0.00 C ATOM 1303 OE1 GLU A 94 18.883 9.835 -9.200 1.00 0.00 O ATOM 1304 OE2 GLU A 94 18.973 8.136 -7.808 1.00 0.00 O ATOM 0 H GLU A 94 16.670 11.651 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 94 17.608 13.028 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.155 10.370 -6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.937 11.117 -8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.075 10.961 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.141 9.640 -6.032 1.00 0.00 H new ATOM 1311 N GLY A 95 14.617 12.489 -5.828 1.00 0.00 N ATOM 1312 CA GLY A 95 13.252 12.973 -5.863 1.00 0.00 C ATOM 1313 C GLY A 95 13.132 14.355 -5.258 1.00 0.00 C ATOM 1314 O GLY A 95 12.293 15.155 -5.670 1.00 0.00 O ATOM 0 H GLY A 95 14.816 11.821 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.900 12.996 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.607 12.281 -5.321 1.00 0.00 H new ATOM 1318 N ASN A 96 13.984 14.631 -4.279 1.00 0.00 N ATOM 1319 CA ASN A 96 13.992 15.923 -3.612 1.00 0.00 C ATOM 1320 C ASN A 96 14.629 16.977 -4.515 1.00 0.00 C ATOM 1321 O ASN A 96 14.233 18.144 -4.499 1.00 0.00 O ATOM 1322 CB ASN A 96 14.738 15.809 -2.273 1.00 0.00 C ATOM 1323 CG ASN A 96 15.352 17.118 -1.805 1.00 0.00 C ATOM 1324 OD1 ASN A 96 14.638 18.213 -2.021 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 16.454 17.140 -1.257 1.00 0.00 N flip ATOM 0 H ASN A 96 14.681 13.973 -3.929 1.00 0.00 H new ATOM 0 HA ASN A 96 12.968 16.234 -3.408 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.047 15.449 -1.511 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.526 15.061 -2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 96 16.969 16.271 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.853 18.027 -0.949 1.00 0.00 H new ATOM 1332 N LYS A 97 15.611 16.556 -5.309 1.00 0.00 N ATOM 1333 CA LYS A 97 16.301 17.460 -6.230 1.00 0.00 C ATOM 1334 C LYS A 97 15.312 18.368 -6.952 1.00 0.00 C ATOM 1335 O LYS A 97 15.526 19.574 -7.073 1.00 0.00 O ATOM 1336 CB LYS A 97 17.109 16.660 -7.251 1.00 0.00 C ATOM 1337 CG LYS A 97 18.052 15.648 -6.624 1.00 0.00 C ATOM 1338 CD LYS A 97 19.014 16.313 -5.653 1.00 0.00 C ATOM 1339 CE LYS A 97 20.151 16.995 -6.391 1.00 0.00 C ATOM 1340 NZ LYS A 97 21.306 17.277 -5.494 1.00 0.00 N ATOM 0 H LYS A 97 15.948 15.594 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 97 16.977 18.083 -5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.422 16.139 -7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.687 17.350 -7.865 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.474 14.885 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.616 15.140 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.478 17.045 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.417 15.567 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 97 20.478 16.363 -7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.793 17.928 -6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 22.061 17.743 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.000 17.901 -4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 21.664 16.384 -5.098 1.00 0.00 H new ATOM 1354 N ARG A 98 14.223 17.774 -7.423 1.00 0.00 N ATOM 1355 CA ARG A 98 13.189 18.520 -8.128 1.00 0.00 C ATOM 1356 C ARG A 98 12.143 19.049 -7.150 1.00 0.00 C ATOM 1357 O ARG A 98 11.453 20.027 -7.434 1.00 0.00 O ATOM 1358 CB ARG A 98 12.522 17.636 -9.183 1.00 0.00 C ATOM 1359 CG ARG A 98 11.995 16.326 -8.626 1.00 0.00 C ATOM 1360 CD ARG A 98 12.751 15.130 -9.183 1.00 0.00 C ATOM 1361 NE ARG A 98 11.852 14.052 -9.587 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.233 14.004 -10.765 1.00 0.00 C ATOM 1363 NH1 ARG A 98 11.406 14.971 -11.657 1.00 0.00 N ATOM 1364 NH2 ARG A 98 10.437 12.982 -11.052 1.00 0.00 N ATOM 0 H ARG A 98 14.033 16.776 -7.329 1.00 0.00 H new ATOM 0 HA ARG A 98 13.659 19.369 -8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.699 18.186 -9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.240 17.423 -9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.077 16.334 -7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.936 16.230 -8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.347 15.445 -10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.447 14.759 -8.430 1.00 0.00 H new ATOM 0 HE ARG A 98 11.689 13.291 -8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.017 15.759 -11.443 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.928 14.926 -12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.300 12.235 -10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.962 12.943 -11.954 1.00 0.00 H new ATOM 1378 N GLY A 99 12.032 18.396 -5.993 1.00 0.00 N ATOM 1379 CA GLY A 99 11.070 18.817 -4.991 1.00 0.00 C ATOM 1380 C GLY A 99 9.969 17.798 -4.769 1.00 0.00 C ATOM 1381 O GLY A 99 9.086 18.006 -3.937 1.00 0.00 O ATOM 0 H GLY A 99 12.592 17.584 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.588 18.996 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.626 19.765 -5.296 1.00 0.00 H new ATOM 1385 N MET A 100 10.011 16.698 -5.517 1.00 0.00 N ATOM 1386 CA MET A 100 9.002 15.656 -5.395 1.00 0.00 C ATOM 1387 C MET A 100 9.474 14.350 -6.025 1.00 0.00 C ATOM 1388 O MET A 100 10.147 14.349 -7.055 1.00 0.00 O ATOM 1389 CB MET A 100 7.707 16.107 -6.059 1.00 0.00 C ATOM 1390 CG MET A 100 7.840 16.306 -7.557 1.00 0.00 C ATOM 1391 SD MET A 100 6.729 15.259 -8.510 1.00 0.00 S ATOM 1392 CE MET A 100 7.665 13.733 -8.560 1.00 0.00 C ATOM 0 H MET A 100 10.733 16.508 -6.212 1.00 0.00 H new ATOM 0 HA MET A 100 8.828 15.479 -4.334 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.930 15.367 -5.865 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.379 17.041 -5.603 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.641 17.350 -7.798 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.868 16.100 -7.855 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.239 13.069 -9.312 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.702 13.951 -8.814 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.624 13.249 -7.584 1.00 0.00 H new ATOM 1402 N ILE A 101 9.106 13.242 -5.396 1.00 0.00 N ATOM 1403 CA ILE A 101 9.475 11.920 -5.877 1.00 0.00 C ATOM 1404 C ILE A 101 8.226 11.130 -6.265 1.00 0.00 C ATOM 1405 O ILE A 101 7.212 11.190 -5.575 1.00 0.00 O ATOM 1406 CB ILE A 101 10.295 11.149 -4.806 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.725 9.747 -4.544 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.361 11.940 -3.506 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.399 9.023 -3.401 1.00 0.00 C ATOM 0 H ILE A 101 8.547 13.235 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 101 10.102 12.040 -6.761 1.00 0.00 H new ATOM 0 HB ILE A 101 11.304 11.028 -5.201 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.659 9.831 -4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.823 9.149 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.940 11.382 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.839 12.902 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.352 12.102 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.945 8.040 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.461 8.907 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.279 9.599 -2.484 1.00 0.00 H new ATOM 1421 N GLN A 102 8.302 10.388 -7.366 1.00 0.00 N ATOM 1422 CA GLN A 102 7.167 9.592 -7.818 1.00 0.00 C ATOM 1423 C GLN A 102 7.188 8.221 -7.149 1.00 0.00 C ATOM 1424 O GLN A 102 8.239 7.587 -7.053 1.00 0.00 O ATOM 1425 CB GLN A 102 7.169 9.450 -9.346 1.00 0.00 C ATOM 1426 CG GLN A 102 8.026 8.304 -9.864 1.00 0.00 C ATOM 1427 CD GLN A 102 7.300 6.973 -9.846 1.00 0.00 C ATOM 1428 OE1 GLN A 102 6.112 6.895 -10.158 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.017 5.916 -9.480 1.00 0.00 N ATOM 0 H GLN A 102 9.131 10.322 -7.957 1.00 0.00 H new ATOM 0 HA GLN A 102 6.250 10.107 -7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.144 9.306 -9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.524 10.382 -9.786 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.344 8.526 -10.883 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.929 8.229 -9.258 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.999 6.028 -9.230 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.585 4.993 -9.449 1.00 0.00 H new ATOM 1438 N LEU A 103 6.033 7.771 -6.673 1.00 0.00 N ATOM 1439 CA LEU A 103 5.945 6.481 -5.999 1.00 0.00 C ATOM 1440 C LEU A 103 4.969 5.540 -6.682 1.00 0.00 C ATOM 1441 O LEU A 103 3.871 5.932 -7.072 1.00 0.00 O ATOM 1442 CB LEU A 103 5.521 6.670 -4.544 1.00 0.00 C ATOM 1443 CG LEU A 103 6.457 7.534 -3.706 1.00 0.00 C ATOM 1444 CD1 LEU A 103 7.891 7.047 -3.836 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.342 8.990 -4.122 1.00 0.00 C ATOM 0 H LEU A 103 5.150 8.276 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 103 6.937 6.033 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.527 7.116 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.439 5.689 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 103 6.165 7.451 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.545 7.675 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.958 6.015 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.200 7.101 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.015 9.596 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.611 9.090 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.317 9.330 -3.976 1.00 0.00 H new ATOM 1457 N ILE A 104 5.370 4.283 -6.783 1.00 0.00 N ATOM 1458 CA ILE A 104 4.529 3.255 -7.379 1.00 0.00 C ATOM 1459 C ILE A 104 4.262 2.165 -6.350 1.00 0.00 C ATOM 1460 O ILE A 104 5.177 1.448 -5.939 1.00 0.00 O ATOM 1461 CB ILE A 104 5.178 2.641 -8.637 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.300 3.696 -9.737 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.370 1.449 -9.136 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.186 3.271 -10.888 1.00 0.00 C ATOM 0 H ILE A 104 6.277 3.948 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 104 3.592 3.719 -7.686 1.00 0.00 H new ATOM 0 HB ILE A 104 6.176 2.291 -8.372 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.306 3.926 -10.120 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.696 4.615 -9.305 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.846 1.032 -10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.325 0.688 -8.357 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.359 1.773 -9.385 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.226 4.068 -11.630 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.191 3.069 -10.518 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.780 2.369 -11.346 1.00 0.00 H new ATOM 1476 N VAL A 105 3.009 2.055 -5.924 1.00 0.00 N ATOM 1477 CA VAL A 105 2.623 1.068 -4.927 1.00 0.00 C ATOM 1478 C VAL A 105 1.469 0.200 -5.419 1.00 0.00 C ATOM 1479 O VAL A 105 0.671 0.627 -6.250 1.00 0.00 O ATOM 1480 CB VAL A 105 2.210 1.749 -3.608 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.349 2.593 -3.060 1.00 0.00 C ATOM 1482 CG2 VAL A 105 0.965 2.600 -3.811 1.00 0.00 C ATOM 0 H VAL A 105 2.242 2.640 -6.256 1.00 0.00 H new ATOM 0 HA VAL A 105 3.494 0.436 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 105 1.979 0.971 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.037 3.065 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.215 1.958 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.614 3.362 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.689 3.072 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.167 3.369 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.145 1.969 -4.154 1.00 0.00 H new ATOM 1492 N ALA A 106 1.378 -1.012 -4.888 1.00 0.00 N ATOM 1493 CA ALA A 106 0.316 -1.933 -5.262 1.00 0.00 C ATOM 1494 C ALA A 106 -0.429 -2.414 -4.026 1.00 0.00 C ATOM 1495 O ALA A 106 0.184 -2.755 -3.015 1.00 0.00 O ATOM 1496 CB ALA A 106 0.884 -3.111 -6.039 1.00 0.00 C ATOM 0 H ALA A 106 2.030 -1.380 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.390 -1.407 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.076 -3.791 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.374 -2.749 -6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.610 -3.639 -5.420 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.756 -2.431 -4.104 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.571 -2.862 -2.973 1.00 0.00 C ATOM 1504 C ARG A 107 -3.855 -3.537 -3.435 1.00 0.00 C ATOM 1505 O ARG A 107 -4.099 -3.688 -4.633 1.00 0.00 O ATOM 1506 CB ARG A 107 -2.905 -1.673 -2.068 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.187 -0.383 -2.823 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.653 -0.267 -3.206 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.314 0.835 -2.510 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.444 1.404 -2.924 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.046 0.977 -4.029 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -6.976 2.400 -2.230 1.00 0.00 N ATOM 0 H ARG A 107 -2.286 -2.154 -4.930 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.988 -3.590 -2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.775 -1.924 -1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.074 -1.507 -1.382 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.903 0.470 -2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.572 -0.345 -3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.736 -0.118 -4.283 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.164 -1.201 -2.973 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.884 1.189 -1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.642 0.209 -4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.912 1.417 -4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.520 2.730 -1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.842 2.837 -2.546 1.00 0.00 H new ATOM 1683 N ILE B 10 11.030 -1.273 10.601 1.00 0.00 N ATOM 1684 CA ILE B 10 10.381 -0.141 9.956 1.00 0.00 C ATOM 1685 C ILE B 10 11.366 0.989 9.696 1.00 0.00 C ATOM 1686 O ILE B 10 12.048 1.462 10.604 1.00 0.00 O ATOM 1687 CB ILE B 10 9.202 0.405 10.786 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.550 -0.714 11.601 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.182 1.063 9.869 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.738 -1.685 10.768 1.00 0.00 C ATOM 0 HA ILE B 10 9.996 -0.515 9.007 1.00 0.00 H new ATOM 0 HB ILE B 10 9.582 1.152 11.483 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.327 -1.266 12.130 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.903 -0.270 12.358 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.352 1.446 10.463 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.653 1.886 9.331 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.808 0.329 9.155 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.308 -2.449 11.416 1.00 0.00 H new ATOM 0 HD12 ILE B 10 6.938 -1.147 10.260 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.384 -2.158 10.028 1.00 0.00 H new ATOM 1702 N THR B 11 11.425 1.412 8.443 1.00 0.00 N ATOM 1703 CA THR B 11 12.318 2.488 8.033 1.00 0.00 C ATOM 1704 C THR B 11 11.545 3.798 7.891 1.00 0.00 C ATOM 1705 O THR B 11 10.867 4.025 6.889 1.00 0.00 O ATOM 1706 CB THR B 11 13.004 2.128 6.712 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.924 1.067 6.903 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.761 3.279 6.083 1.00 0.00 C ATOM 0 H THR B 11 10.861 1.024 7.686 1.00 0.00 H new ATOM 0 HA THR B 11 13.081 2.620 8.800 1.00 0.00 H new ATOM 0 HB THR B 11 12.194 1.843 6.040 1.00 0.00 H new ATOM 0 HG1 THR B 11 13.997 0.545 6.077 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.219 2.947 5.151 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.072 4.098 5.877 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.537 3.621 6.767 1.00 0.00 H new ATOM 1716 N LYS B 12 11.649 4.650 8.905 1.00 0.00 N ATOM 1717 CA LYS B 12 10.956 5.934 8.899 1.00 0.00 C ATOM 1718 C LYS B 12 11.567 6.886 7.877 1.00 0.00 C ATOM 1719 O LYS B 12 12.765 7.171 7.914 1.00 0.00 O ATOM 1720 CB LYS B 12 11.000 6.566 10.292 1.00 0.00 C ATOM 1721 CG LYS B 12 9.864 7.540 10.554 1.00 0.00 C ATOM 1722 CD LYS B 12 10.375 8.962 10.735 1.00 0.00 C ATOM 1723 CE LYS B 12 10.475 9.335 12.205 1.00 0.00 C ATOM 1724 NZ LYS B 12 10.114 10.759 12.444 1.00 0.00 N ATOM 0 H LYS B 12 12.206 4.475 9.741 1.00 0.00 H new ATOM 0 HA LYS B 12 9.918 5.753 8.619 1.00 0.00 H new ATOM 0 HB2 LYS B 12 10.970 5.775 11.042 1.00 0.00 H new ATOM 0 HB3 LYS B 12 11.950 7.087 10.416 1.00 0.00 H new ATOM 0 HG2 LYS B 12 9.159 7.509 9.723 1.00 0.00 H new ATOM 0 HG3 LYS B 12 9.319 7.232 11.446 1.00 0.00 H new ATOM 0 HD2 LYS B 12 11.354 9.060 10.266 1.00 0.00 H new ATOM 0 HD3 LYS B 12 9.707 9.657 10.227 1.00 0.00 H new ATOM 0 HE2 LYS B 12 9.817 8.691 12.788 1.00 0.00 H new ATOM 0 HE3 LYS B 12 11.491 9.154 12.557 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 10.195 10.972 13.459 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 10.758 11.375 11.908 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 9.136 10.926 12.132 1.00 0.00 H new ATOM 1738 N VAL B 13 10.733 7.380 6.969 1.00 0.00 N ATOM 1739 CA VAL B 13 11.179 8.309 5.937 1.00 0.00 C ATOM 1740 C VAL B 13 10.087 9.322 5.612 1.00 0.00 C ATOM 1741 O VAL B 13 9.391 9.138 4.591 1.00 0.00 O ATOM 1742 CB VAL B 13 11.584 7.572 4.645 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.894 6.823 4.839 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.479 6.627 4.198 1.00 0.00 C ATOM 1745 OXT VAL B 13 9.931 10.290 6.385 1.00 0.00 O ATOM 0 H VAL B 13 9.740 7.151 6.927 1.00 0.00 H new ATOM 0 HA VAL B 13 12.053 8.827 6.332 1.00 0.00 H new ATOM 0 HB VAL B 13 11.734 8.314 3.861 1.00 0.00 H new ATOM 0 HG11 VAL B 13 13.160 6.310 3.915 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.681 7.529 5.102 1.00 0.00 H new ATOM 0 HG13 VAL B 13 12.780 6.092 5.639 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.784 6.116 3.285 1.00 0.00 H new ATOM 0 HG22 VAL B 13 10.291 5.891 4.980 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.568 7.196 4.009 1.00 0.00 H new