USER MOD reduce.3.24.130724 H: found=0, std=0, add=1066, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1056 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: B 70 HIS : no HD1:sc= -1.96 X(o=-3.5,f=-3.6!) USER MOD Set 1.2: B 71 HIS :FLIP no HD1:sc= -1.52 F(o=-5.6,f=-3.5) USER MOD Set 2.1: A 27 THR OG1 : rot 144:sc= 0.333 USER MOD Set 2.2: B 5 GLN :FLIP amide:sc= -1.29 F(o=-4.6!,f=-0.96) USER MOD Set 3.1: A 67 HIS :FLIP no HE2:sc= -2.53! F(o=-6,f=-3.8!) USER MOD Set 3.2: A 70 HIS :FLIP no HD1:sc= -1.28 F(o=-5,f=-3.8) USER MOD Set 4.1: A 33 SER OG : rot 161:sc= -0.31 USER MOD Set 4.2: A 35 LYS NZ :NH3+ 145:sc= -0.569 (180deg=-3.88!) USER MOD Set 5.1: A 5 GLN :FLIP amide:sc= -3.23! C(o=-3.7!,f=-2.4!) USER MOD Set 5.2: B 27 THR OG1 : rot 83:sc= 0.81 USER MOD Set 6.1: A 1 MET N :NH3+ 161:sc= -0.891 (180deg=-0.974) USER MOD Set 6.2: A 3 ASN : amide:sc= -2.57! C(o=-3.5!,f=-6.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0663 USER MOD Single : A 10 THR OG1 : rot 170:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -126:sc= -1.29 (180deg=-3.63!) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -0.0319 (180deg=-0.475) USER MOD Single : A 47 LYS NZ :NH3+ -156:sc= -0.0581 (180deg=-0.422) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.506 USER MOD Single : A 66 HIS : no HD1:sc= -3.27! C(o=-3.3!,f=-6.2!) USER MOD Single : A 68 HIS : no HD1:sc= -0.072 X(o=-0.072,f=0) USER MOD Single : A 69 HIS : no HD1:sc= -4.56! C(o=-4.6!,f=-7!) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -1.83 K(o=-1.8,f=-4.9!) USER MOD Single : B 8 SER OG : rot 180:sc= 0 USER MOD Single : B 10 THR OG1 : rot -26:sc= 0.78 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.5) USER MOD Single : B 17 SER OG : rot 180:sc=-0.00171 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 153:sc= -2.06 (180deg=-3.09!) USER MOD Single : B 38 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0432) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 62 TYR OH : rot 30:sc= -0.121 USER MOD Single : B 66 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-0.89) USER MOD Single : B 67 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-7.7!) USER MOD Single : B 68 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : B 69 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.930 11.231 -9.092 1.00 0.00 N ATOM 2 CA MET A 1 -14.772 10.717 -10.209 1.00 0.00 C ATOM 3 C MET A 1 -14.131 9.447 -10.771 1.00 0.00 C ATOM 4 O MET A 1 -14.806 8.507 -11.146 1.00 0.00 O ATOM 5 CB MET A 1 -14.870 11.781 -11.309 1.00 0.00 C ATOM 6 CG MET A 1 -13.502 12.437 -11.514 1.00 0.00 C ATOM 7 SD MET A 1 -13.605 13.633 -12.868 1.00 0.00 S ATOM 8 CE MET A 1 -11.873 14.158 -12.840 1.00 0.00 C ATOM 0 H1 MET A 1 -14.157 12.231 -8.918 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.119 10.678 -8.232 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.925 11.144 -9.346 1.00 0.00 H new ATOM 0 HA MET A 1 -15.774 10.490 -9.844 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.209 11.326 -12.240 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.608 12.535 -11.035 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.184 12.935 -10.598 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.753 11.678 -11.741 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.708 14.910 -13.611 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.637 14.581 -11.864 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.229 13.299 -13.028 1.00 0.00 H new ATOM 20 N ASP A 2 -12.829 9.412 -10.827 1.00 0.00 N ATOM 21 CA ASP A 2 -12.128 8.207 -11.356 1.00 0.00 C ATOM 22 C ASP A 2 -10.791 8.068 -10.619 1.00 0.00 C ATOM 23 O ASP A 2 -9.843 7.490 -11.116 1.00 0.00 O ATOM 24 CB ASP A 2 -11.894 8.374 -12.866 1.00 0.00 C ATOM 25 CG ASP A 2 -11.742 6.998 -13.525 1.00 0.00 C ATOM 26 OD1 ASP A 2 -12.750 6.332 -13.693 1.00 0.00 O ATOM 27 OD2 ASP A 2 -10.624 6.640 -13.854 1.00 0.00 O ATOM 0 H ASP A 2 -12.216 10.170 -10.528 1.00 0.00 H new ATOM 0 HA ASP A 2 -12.729 7.312 -11.197 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.729 8.912 -13.315 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.999 8.971 -13.040 1.00 0.00 H new ATOM 32 N ASN A 3 -10.719 8.606 -9.428 1.00 0.00 N ATOM 33 CA ASN A 3 -9.462 8.530 -8.620 1.00 0.00 C ATOM 34 C ASN A 3 -9.617 7.455 -7.544 1.00 0.00 C ATOM 35 O ASN A 3 -8.652 6.908 -7.048 1.00 0.00 O ATOM 36 CB ASN A 3 -9.228 9.876 -7.934 1.00 0.00 C ATOM 37 CG ASN A 3 -10.491 10.274 -7.174 1.00 0.00 C ATOM 38 OD1 ASN A 3 -11.491 10.622 -7.768 1.00 0.00 O ATOM 39 ND2 ASN A 3 -10.490 10.221 -5.872 1.00 0.00 N ATOM 0 H ASN A 3 -11.487 9.101 -8.975 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.623 8.287 -9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.383 9.807 -7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.978 10.637 -8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.330 10.472 -5.351 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.649 9.928 -5.374 1.00 0.00 H new ATOM 46 N ARG A 4 -10.827 7.157 -7.174 1.00 0.00 N ATOM 47 CA ARG A 4 -11.052 6.127 -6.125 1.00 0.00 C ATOM 48 C ARG A 4 -10.346 4.833 -6.514 1.00 0.00 C ATOM 49 O ARG A 4 -10.211 4.513 -7.677 1.00 0.00 O ATOM 50 CB ARG A 4 -12.559 5.876 -5.986 1.00 0.00 C ATOM 51 CG ARG A 4 -13.224 7.015 -5.198 1.00 0.00 C ATOM 52 CD ARG A 4 -13.059 6.790 -3.687 1.00 0.00 C ATOM 53 NE ARG A 4 -13.921 5.644 -3.258 1.00 0.00 N ATOM 54 CZ ARG A 4 -13.433 4.445 -3.066 1.00 0.00 C ATOM 55 NH1 ARG A 4 -12.168 4.196 -3.272 1.00 0.00 N ATOM 56 NH2 ARG A 4 -14.228 3.489 -2.677 1.00 0.00 N ATOM 0 H ARG A 4 -11.673 7.583 -7.553 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.650 6.477 -5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -13.013 5.796 -6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.730 4.927 -5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.779 7.969 -5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.283 7.070 -5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.015 6.583 -3.451 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.336 7.692 -3.141 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.918 5.802 -3.111 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.546 4.941 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.801 3.257 -3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -15.219 3.679 -2.526 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -13.860 2.550 -2.524 1.00 0.00 H new ATOM 70 N GLN A 5 -9.891 4.088 -5.544 1.00 0.00 N ATOM 71 CA GLN A 5 -9.184 2.811 -5.854 1.00 0.00 C ATOM 72 C GLN A 5 -9.291 1.848 -4.670 1.00 0.00 C ATOM 73 O GLN A 5 -9.539 2.247 -3.549 1.00 0.00 O ATOM 74 CB GLN A 5 -7.710 3.102 -6.152 1.00 0.00 C ATOM 75 CG GLN A 5 -7.130 4.042 -5.092 1.00 0.00 C ATOM 76 CD GLN A 5 -5.685 4.380 -5.466 1.00 0.00 C ATOM 77 OE1 GLN A 5 -5.068 3.644 -6.348 1.00 0.00 O flip ATOM 78 NE2 GLN A 5 -5.116 5.323 -4.954 1.00 0.00 N flip ATOM 0 H GLN A 5 -9.978 4.307 -4.552 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.648 2.350 -6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.145 2.170 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.614 3.553 -7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.726 4.953 -5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.165 3.570 -4.110 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.600 5.898 -4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.154 5.540 -5.214 1.00 0.00 H new ATOM 87 N PHE A 6 -9.106 0.576 -4.921 1.00 0.00 N ATOM 88 CA PHE A 6 -9.193 -0.443 -3.832 1.00 0.00 C ATOM 89 C PHE A 6 -7.783 -0.811 -3.368 1.00 0.00 C ATOM 90 O PHE A 6 -6.845 -0.796 -4.140 1.00 0.00 O ATOM 91 CB PHE A 6 -9.870 -1.700 -4.380 1.00 0.00 C ATOM 92 CG PHE A 6 -11.231 -1.342 -4.915 1.00 0.00 C ATOM 93 CD1 PHE A 6 -12.344 -1.352 -4.069 1.00 0.00 C ATOM 94 CD2 PHE A 6 -11.377 -0.995 -6.262 1.00 0.00 C ATOM 95 CE1 PHE A 6 -13.605 -1.016 -4.570 1.00 0.00 C ATOM 96 CE2 PHE A 6 -12.637 -0.657 -6.765 1.00 0.00 C ATOM 97 CZ PHE A 6 -13.752 -0.668 -5.919 1.00 0.00 C ATOM 0 H PHE A 6 -8.896 0.197 -5.844 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.765 -0.038 -2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -9.261 -2.140 -5.170 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -9.962 -2.449 -3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -12.230 -1.619 -3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -10.516 -0.988 -6.914 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -14.465 -1.025 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -12.750 -0.388 -7.805 1.00 0.00 H new ATOM 0 HZ PHE A 6 -14.726 -0.408 -6.306 1.00 0.00 H new ATOM 107 N LEU A 7 -7.624 -1.154 -2.116 1.00 0.00 N ATOM 108 CA LEU A 7 -6.274 -1.540 -1.600 1.00 0.00 C ATOM 109 C LEU A 7 -6.436 -2.747 -0.676 1.00 0.00 C ATOM 110 O LEU A 7 -7.221 -2.722 0.252 1.00 0.00 O ATOM 111 CB LEU A 7 -5.673 -0.361 -0.821 1.00 0.00 C ATOM 112 CG LEU A 7 -4.167 -0.590 -0.554 1.00 0.00 C ATOM 113 CD1 LEU A 7 -3.512 0.751 -0.209 1.00 0.00 C ATOM 114 CD2 LEU A 7 -3.961 -1.579 0.611 1.00 0.00 C ATOM 0 H LEU A 7 -8.374 -1.184 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.610 -1.794 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.811 0.561 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.200 -0.238 0.125 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.710 -1.013 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.450 0.599 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.636 1.442 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.983 1.168 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.894 -1.725 0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.420 -1.178 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.423 -2.535 0.363 1.00 0.00 H new ATOM 126 N SER A 8 -5.702 -3.806 -0.923 1.00 0.00 N ATOM 127 CA SER A 8 -5.805 -5.031 -0.063 1.00 0.00 C ATOM 128 C SER A 8 -4.426 -5.382 0.495 1.00 0.00 C ATOM 129 O SER A 8 -3.422 -5.258 -0.178 1.00 0.00 O ATOM 130 CB SER A 8 -6.323 -6.201 -0.906 1.00 0.00 C ATOM 131 OG SER A 8 -7.541 -5.827 -1.538 1.00 0.00 O ATOM 0 H SER A 8 -5.031 -3.876 -1.688 1.00 0.00 H new ATOM 0 HA SER A 8 -6.492 -4.839 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.582 -6.479 -1.656 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.482 -7.076 -0.275 1.00 0.00 H new ATOM 0 HG SER A 8 -7.872 -6.574 -2.079 1.00 0.00 H new ATOM 137 N LEU A 9 -4.371 -5.821 1.727 1.00 0.00 N ATOM 138 CA LEU A 9 -3.060 -6.186 2.341 1.00 0.00 C ATOM 139 C LEU A 9 -3.278 -7.283 3.390 1.00 0.00 C ATOM 140 O LEU A 9 -4.293 -7.324 4.064 1.00 0.00 O ATOM 141 CB LEU A 9 -2.438 -4.955 3.011 1.00 0.00 C ATOM 142 CG LEU A 9 -0.985 -5.256 3.423 1.00 0.00 C ATOM 143 CD1 LEU A 9 -0.065 -5.300 2.187 1.00 0.00 C ATOM 144 CD2 LEU A 9 -0.503 -4.164 4.382 1.00 0.00 C ATOM 0 H LEU A 9 -5.181 -5.942 2.335 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.387 -6.549 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.462 -4.107 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.022 -4.674 3.887 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.950 -6.229 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.957 -5.514 2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.406 -6.080 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.094 -4.337 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.525 -4.369 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.551 -3.196 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.140 -4.149 5.266 1.00 0.00 H new ATOM 156 N THR A 10 -2.331 -8.178 3.525 1.00 0.00 N ATOM 157 CA THR A 10 -2.464 -9.291 4.518 1.00 0.00 C ATOM 158 C THR A 10 -1.124 -9.490 5.229 1.00 0.00 C ATOM 159 O THR A 10 -0.128 -8.910 4.857 1.00 0.00 O ATOM 160 CB THR A 10 -2.835 -10.582 3.784 1.00 0.00 C ATOM 161 OG1 THR A 10 -1.651 -11.208 3.310 1.00 0.00 O ATOM 162 CG2 THR A 10 -3.744 -10.251 2.599 1.00 0.00 C ATOM 0 H THR A 10 -1.465 -8.186 2.986 1.00 0.00 H new ATOM 0 HA THR A 10 -3.238 -9.044 5.245 1.00 0.00 H new ATOM 0 HB THR A 10 -3.357 -11.253 4.466 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.865 -12.107 2.983 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.009 -11.170 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.650 -9.765 2.960 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.222 -9.582 1.915 1.00 0.00 H new ATOM 170 N GLY A 11 -1.088 -10.314 6.242 1.00 0.00 N ATOM 171 CA GLY A 11 0.198 -10.554 6.965 1.00 0.00 C ATOM 172 C GLY A 11 0.425 -9.458 8.008 1.00 0.00 C ATOM 173 O GLY A 11 1.536 -9.220 8.443 1.00 0.00 O ATOM 0 H GLY A 11 -1.891 -10.831 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.175 -11.530 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.026 -10.570 6.256 1.00 0.00 H new ATOM 177 N VAL A 12 -0.613 -8.784 8.413 1.00 0.00 N ATOM 178 CA VAL A 12 -0.449 -7.702 9.425 1.00 0.00 C ATOM 179 C VAL A 12 -0.150 -8.309 10.800 1.00 0.00 C ATOM 180 O VAL A 12 -0.785 -9.254 11.226 1.00 0.00 O ATOM 181 CB VAL A 12 -1.729 -6.871 9.499 1.00 0.00 C ATOM 182 CG1 VAL A 12 -2.851 -7.700 10.131 1.00 0.00 C ATOM 183 CG2 VAL A 12 -1.468 -5.627 10.352 1.00 0.00 C ATOM 0 H VAL A 12 -1.568 -8.934 8.088 1.00 0.00 H new ATOM 0 HA VAL A 12 0.383 -7.063 9.130 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.030 -6.574 8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.761 -7.102 10.181 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.033 -8.588 9.525 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.559 -8.001 11.137 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.377 -5.028 10.410 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.169 -5.930 11.355 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.672 -5.036 9.899 1.00 0.00 H new ATOM 193 N SER A 13 0.810 -7.767 11.499 1.00 0.00 N ATOM 194 CA SER A 13 1.150 -8.306 12.847 1.00 0.00 C ATOM 195 C SER A 13 0.082 -7.884 13.860 1.00 0.00 C ATOM 196 O SER A 13 -0.483 -8.705 14.557 1.00 0.00 O ATOM 197 CB SER A 13 2.506 -7.756 13.291 1.00 0.00 C ATOM 198 OG SER A 13 3.534 -8.341 12.506 1.00 0.00 O ATOM 0 H SER A 13 1.374 -6.974 11.195 1.00 0.00 H new ATOM 0 HA SER A 13 1.192 -9.394 12.795 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.524 -6.672 13.183 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.671 -7.974 14.346 1.00 0.00 H new ATOM 0 HG SER A 13 4.403 -7.987 12.789 1.00 0.00 H new ATOM 204 N LYS A 14 -0.199 -6.613 13.955 1.00 0.00 N ATOM 205 CA LYS A 14 -1.234 -6.153 14.931 1.00 0.00 C ATOM 206 C LYS A 14 -1.757 -4.774 14.522 1.00 0.00 C ATOM 207 O LYS A 14 -1.097 -4.027 13.827 1.00 0.00 O ATOM 208 CB LYS A 14 -0.627 -6.093 16.345 1.00 0.00 C ATOM 209 CG LYS A 14 0.652 -5.219 16.359 1.00 0.00 C ATOM 210 CD LYS A 14 0.334 -3.807 16.888 1.00 0.00 C ATOM 211 CE LYS A 14 0.295 -3.812 18.425 1.00 0.00 C ATOM 212 NZ LYS A 14 1.671 -3.607 18.960 1.00 0.00 N ATOM 0 H LYS A 14 0.239 -5.875 13.404 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.065 -6.858 14.933 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.359 -5.686 17.043 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.388 -7.100 16.686 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.412 -5.686 16.985 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.065 -5.152 15.353 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.088 -3.101 16.538 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.625 -3.470 16.494 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.367 -3.024 18.785 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.109 -4.758 18.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.643 -3.611 20.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.290 -4.373 18.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.041 -2.694 18.627 1.00 0.00 H new ATOM 226 N VAL A 15 -2.948 -4.436 14.944 1.00 0.00 N ATOM 227 CA VAL A 15 -3.533 -3.111 14.578 1.00 0.00 C ATOM 228 C VAL A 15 -3.131 -2.062 15.615 1.00 0.00 C ATOM 229 O VAL A 15 -3.285 -2.258 16.803 1.00 0.00 O ATOM 230 CB VAL A 15 -5.057 -3.231 14.546 1.00 0.00 C ATOM 231 CG1 VAL A 15 -5.676 -1.856 14.287 1.00 0.00 C ATOM 232 CG2 VAL A 15 -5.466 -4.197 13.430 1.00 0.00 C ATOM 0 H VAL A 15 -3.543 -5.023 15.529 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.162 -2.808 13.599 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.412 -3.610 15.504 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.762 -1.944 14.265 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.384 -1.170 15.082 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.323 -1.473 13.329 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.552 -4.285 13.405 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.110 -3.818 12.472 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.027 -5.177 13.618 1.00 0.00 H new ATOM 242 N GLN A 16 -2.616 -0.941 15.174 1.00 0.00 N ATOM 243 CA GLN A 16 -2.204 0.130 16.135 1.00 0.00 C ATOM 244 C GLN A 16 -3.315 1.179 16.231 1.00 0.00 C ATOM 245 O GLN A 16 -3.576 1.729 17.284 1.00 0.00 O ATOM 246 CB GLN A 16 -0.915 0.790 15.633 1.00 0.00 C ATOM 247 CG GLN A 16 -0.480 1.885 16.608 1.00 0.00 C ATOM 248 CD GLN A 16 0.866 2.454 16.157 1.00 0.00 C ATOM 249 OE1 GLN A 16 0.977 3.002 15.079 1.00 0.00 O ATOM 250 NE2 GLN A 16 1.904 2.339 16.939 1.00 0.00 N ATOM 0 H GLN A 16 -2.463 -0.721 14.190 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.030 -0.304 17.119 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.127 0.043 15.536 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.075 1.215 14.642 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.229 2.676 16.643 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.397 1.479 17.616 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.812 1.879 17.845 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.808 2.709 16.645 1.00 0.00 H new ATOM 259 N SER A 17 -3.972 1.458 15.141 1.00 0.00 N ATOM 260 CA SER A 17 -5.068 2.466 15.163 1.00 0.00 C ATOM 261 C SER A 17 -5.806 2.425 13.824 1.00 0.00 C ATOM 262 O SER A 17 -5.226 2.144 12.794 1.00 0.00 O ATOM 263 CB SER A 17 -4.482 3.861 15.380 1.00 0.00 C ATOM 264 OG SER A 17 -5.537 4.775 15.660 1.00 0.00 O ATOM 0 H SER A 17 -3.797 1.030 14.232 1.00 0.00 H new ATOM 0 HA SER A 17 -5.759 2.239 15.975 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.770 3.845 16.206 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.934 4.180 14.493 1.00 0.00 H new ATOM 0 HG SER A 17 -5.165 5.671 15.802 1.00 0.00 H new ATOM 270 N PHE A 18 -7.083 2.703 13.831 1.00 0.00 N ATOM 271 CA PHE A 18 -7.872 2.681 12.561 1.00 0.00 C ATOM 272 C PHE A 18 -8.881 3.835 12.576 1.00 0.00 C ATOM 273 O PHE A 18 -9.835 3.817 13.325 1.00 0.00 O ATOM 274 CB PHE A 18 -8.627 1.345 12.462 1.00 0.00 C ATOM 275 CG PHE A 18 -9.662 1.414 11.359 1.00 0.00 C ATOM 276 CD1 PHE A 18 -9.304 1.127 10.038 1.00 0.00 C ATOM 277 CD2 PHE A 18 -10.980 1.769 11.666 1.00 0.00 C ATOM 278 CE1 PHE A 18 -10.265 1.197 9.023 1.00 0.00 C ATOM 279 CE2 PHE A 18 -11.941 1.839 10.650 1.00 0.00 C ATOM 280 CZ PHE A 18 -11.584 1.554 9.329 1.00 0.00 C ATOM 0 H PHE A 18 -7.617 2.946 14.665 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.204 2.790 11.707 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.925 0.535 12.263 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.111 1.120 13.412 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -8.287 0.852 9.801 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.256 1.989 12.687 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.989 0.975 8.003 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.958 2.113 10.887 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.325 1.609 8.545 1.00 0.00 H new ATOM 290 N ASP A 19 -8.686 4.829 11.744 1.00 0.00 N ATOM 291 CA ASP A 19 -9.646 5.984 11.692 1.00 0.00 C ATOM 292 C ASP A 19 -9.975 6.285 10.217 1.00 0.00 C ATOM 293 O ASP A 19 -9.116 6.168 9.368 1.00 0.00 O ATOM 294 CB ASP A 19 -8.994 7.220 12.333 1.00 0.00 C ATOM 295 CG ASP A 19 -9.135 7.150 13.858 1.00 0.00 C ATOM 296 OD1 ASP A 19 -10.214 7.444 14.346 1.00 0.00 O ATOM 297 OD2 ASP A 19 -8.163 6.807 14.510 1.00 0.00 O ATOM 0 H ASP A 19 -7.902 4.893 11.095 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.558 5.736 12.235 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.940 7.270 12.058 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.466 8.128 11.956 1.00 0.00 H new ATOM 302 N PRO A 20 -11.191 6.686 9.888 1.00 0.00 N ATOM 303 CA PRO A 20 -11.542 6.997 8.469 1.00 0.00 C ATOM 304 C PRO A 20 -10.525 7.961 7.833 1.00 0.00 C ATOM 305 O PRO A 20 -10.217 7.868 6.664 1.00 0.00 O ATOM 306 CB PRO A 20 -12.930 7.652 8.554 1.00 0.00 C ATOM 307 CG PRO A 20 -13.525 7.160 9.838 1.00 0.00 C ATOM 308 CD PRO A 20 -12.353 6.872 10.788 1.00 0.00 C ATOM 0 HA PRO A 20 -11.534 6.104 7.844 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.852 8.739 8.548 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.549 7.372 7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.194 7.907 10.265 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.117 6.260 9.670 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.191 7.697 11.482 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.537 5.982 11.389 1.00 0.00 H new ATOM 316 N LYS A 21 -10.011 8.889 8.597 1.00 0.00 N ATOM 317 CA LYS A 21 -9.023 9.861 8.036 1.00 0.00 C ATOM 318 C LYS A 21 -7.762 9.120 7.575 1.00 0.00 C ATOM 319 O LYS A 21 -7.244 9.362 6.502 1.00 0.00 O ATOM 320 CB LYS A 21 -8.641 10.869 9.120 1.00 0.00 C ATOM 321 CG LYS A 21 -9.849 11.742 9.453 1.00 0.00 C ATOM 322 CD LYS A 21 -9.501 12.665 10.626 1.00 0.00 C ATOM 323 CE LYS A 21 -8.423 13.677 10.207 1.00 0.00 C ATOM 324 NZ LYS A 21 -7.074 13.073 10.405 1.00 0.00 N ATOM 0 H LYS A 21 -10.232 9.017 9.585 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.470 10.376 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.300 10.346 10.013 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.813 11.490 8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.135 12.333 8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.704 11.117 9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.394 13.193 10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.146 12.074 11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.558 13.958 9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.516 14.589 10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.495 13.702 10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.172 12.150 10.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.612 12.945 9.482 1.00 0.00 H new ATOM 338 N GLU A 22 -7.272 8.218 8.377 1.00 0.00 N ATOM 339 CA GLU A 22 -6.056 7.450 8.003 1.00 0.00 C ATOM 340 C GLU A 22 -6.037 6.137 8.779 1.00 0.00 C ATOM 341 O GLU A 22 -6.638 6.021 9.828 1.00 0.00 O ATOM 342 CB GLU A 22 -4.779 8.251 8.302 1.00 0.00 C ATOM 343 CG GLU A 22 -4.606 8.485 9.807 1.00 0.00 C ATOM 344 CD GLU A 22 -3.193 9.011 10.069 1.00 0.00 C ATOM 345 OE1 GLU A 22 -2.279 8.546 9.404 1.00 0.00 O ATOM 346 OE2 GLU A 22 -3.047 9.862 10.928 1.00 0.00 O ATOM 0 H GLU A 22 -7.668 7.978 9.286 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.084 7.251 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.913 7.716 7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.820 9.210 7.785 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.347 9.200 10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.770 7.556 10.354 1.00 0.00 H new ATOM 353 N ILE A 23 -5.353 5.148 8.268 1.00 0.00 N ATOM 354 CA ILE A 23 -5.284 3.825 8.971 1.00 0.00 C ATOM 355 C ILE A 23 -3.831 3.485 9.302 1.00 0.00 C ATOM 356 O ILE A 23 -2.954 3.573 8.464 1.00 0.00 O ATOM 357 CB ILE A 23 -5.865 2.749 8.060 1.00 0.00 C ATOM 358 CG1 ILE A 23 -7.346 3.048 7.814 1.00 0.00 C ATOM 359 CG2 ILE A 23 -5.716 1.381 8.729 1.00 0.00 C ATOM 360 CD1 ILE A 23 -7.877 2.117 6.728 1.00 0.00 C ATOM 0 H ILE A 23 -4.836 5.196 7.390 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.855 3.875 9.898 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.333 2.741 7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.914 2.912 8.735 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.473 4.087 7.512 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.131 0.611 8.079 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.660 1.176 8.907 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.250 1.380 9.679 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.932 2.328 6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.316 2.275 5.807 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.763 1.082 7.049 1.00 0.00 H new ATOM 372 N LEU A 24 -3.574 3.094 10.529 1.00 0.00 N ATOM 373 CA LEU A 24 -2.182 2.737 10.950 1.00 0.00 C ATOM 374 C LEU A 24 -2.119 1.239 11.252 1.00 0.00 C ATOM 375 O LEU A 24 -2.770 0.752 12.156 1.00 0.00 O ATOM 376 CB LEU A 24 -1.821 3.514 12.219 1.00 0.00 C ATOM 377 CG LEU A 24 -2.093 5.011 12.012 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.611 5.792 13.236 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.360 5.506 10.756 1.00 0.00 C ATOM 0 H LEU A 24 -4.277 3.007 11.263 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.483 2.987 10.152 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.405 3.143 13.061 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.771 3.357 12.465 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.164 5.168 11.882 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.804 6.855 13.089 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.144 5.446 14.122 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.541 5.633 13.371 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.557 6.569 10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.288 5.348 10.874 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.714 4.953 9.886 1.00 0.00 H new ATOM 391 N LEU A 25 -1.338 0.503 10.500 1.00 0.00 N ATOM 392 CA LEU A 25 -1.212 -0.974 10.724 1.00 0.00 C ATOM 393 C LEU A 25 0.265 -1.339 10.865 1.00 0.00 C ATOM 394 O LEU A 25 1.102 -0.886 10.109 1.00 0.00 O ATOM 395 CB LEU A 25 -1.818 -1.715 9.522 1.00 0.00 C ATOM 396 CG LEU A 25 -3.353 -1.539 9.508 1.00 0.00 C ATOM 397 CD1 LEU A 25 -3.881 -1.676 8.075 1.00 0.00 C ATOM 398 CD2 LEU A 25 -4.017 -2.615 10.383 1.00 0.00 C ATOM 0 H LEU A 25 -0.775 0.866 9.731 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.741 -1.260 11.633 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.392 -1.331 8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.566 -2.774 9.573 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.591 -0.550 9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.964 -1.551 8.073 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.426 -0.912 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.629 -2.663 7.687 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.099 -2.481 10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.767 -3.603 9.997 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.656 -2.524 11.408 1.00 0.00 H new ATOM 410 N GLU A 26 0.597 -2.162 11.829 1.00 0.00 N ATOM 411 CA GLU A 26 2.023 -2.566 12.023 1.00 0.00 C ATOM 412 C GLU A 26 2.258 -3.920 11.353 1.00 0.00 C ATOM 413 O GLU A 26 1.634 -4.910 11.698 1.00 0.00 O ATOM 414 CB GLU A 26 2.321 -2.674 13.517 1.00 0.00 C ATOM 415 CG GLU A 26 3.807 -2.968 13.728 1.00 0.00 C ATOM 416 CD GLU A 26 4.083 -3.116 15.225 1.00 0.00 C ATOM 417 OE1 GLU A 26 3.795 -4.175 15.758 1.00 0.00 O ATOM 418 OE2 GLU A 26 4.571 -2.166 15.814 1.00 0.00 O ATOM 0 H GLU A 26 -0.061 -2.572 12.492 1.00 0.00 H new ATOM 0 HA GLU A 26 2.681 -1.820 11.577 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.049 -1.746 14.020 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.717 -3.465 13.961 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.088 -3.881 13.202 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.412 -2.162 13.312 1.00 0.00 H new ATOM 425 N THR A 27 3.150 -3.963 10.388 1.00 0.00 N ATOM 426 CA THR A 27 3.440 -5.241 9.660 1.00 0.00 C ATOM 427 C THR A 27 4.935 -5.567 9.731 1.00 0.00 C ATOM 428 O THR A 27 5.758 -4.704 9.946 1.00 0.00 O ATOM 429 CB THR A 27 3.041 -5.086 8.194 1.00 0.00 C ATOM 430 OG1 THR A 27 3.249 -6.321 7.527 1.00 0.00 O ATOM 431 CG2 THR A 27 3.897 -4.000 7.544 1.00 0.00 C ATOM 0 H THR A 27 3.693 -3.160 10.072 1.00 0.00 H new ATOM 0 HA THR A 27 2.873 -6.047 10.125 1.00 0.00 H new ATOM 0 HB THR A 27 1.991 -4.803 8.124 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.544 -6.455 6.860 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.612 -3.890 6.498 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.742 -3.055 8.064 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.949 -4.280 7.606 1.00 0.00 H new ATOM 439 N ILE A 28 5.266 -6.819 9.526 1.00 0.00 N ATOM 440 CA ILE A 28 6.693 -7.284 9.546 1.00 0.00 C ATOM 441 C ILE A 28 7.534 -6.462 10.539 1.00 0.00 C ATOM 442 O ILE A 28 7.711 -6.844 11.679 1.00 0.00 O ATOM 443 CB ILE A 28 7.294 -7.161 8.139 1.00 0.00 C ATOM 444 CG1 ILE A 28 6.369 -7.840 7.128 1.00 0.00 C ATOM 445 CG2 ILE A 28 8.661 -7.860 8.101 1.00 0.00 C ATOM 446 CD1 ILE A 28 6.901 -7.600 5.715 1.00 0.00 C ATOM 0 H ILE A 28 4.589 -7.559 9.340 1.00 0.00 H new ATOM 0 HA ILE A 28 6.707 -8.326 9.867 1.00 0.00 H new ATOM 0 HB ILE A 28 7.409 -6.106 7.890 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.312 -8.909 7.331 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.358 -7.444 7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.087 -7.772 7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.330 -7.391 8.823 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.538 -8.914 8.352 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.244 -8.083 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.935 -6.529 5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.904 -8.017 5.628 1.00 0.00 H new ATOM 458 N GLN A 29 8.064 -5.344 10.108 1.00 0.00 N ATOM 459 CA GLN A 29 8.905 -4.511 11.018 1.00 0.00 C ATOM 460 C GLN A 29 8.794 -3.034 10.626 1.00 0.00 C ATOM 461 O GLN A 29 9.783 -2.337 10.511 1.00 0.00 O ATOM 462 CB GLN A 29 10.362 -4.965 10.899 1.00 0.00 C ATOM 463 CG GLN A 29 10.809 -4.894 9.434 1.00 0.00 C ATOM 464 CD GLN A 29 12.203 -5.513 9.294 1.00 0.00 C ATOM 465 OE1 GLN A 29 12.945 -5.587 10.253 1.00 0.00 O ATOM 466 NE2 GLN A 29 12.590 -5.964 8.132 1.00 0.00 N ATOM 0 H GLN A 29 7.950 -4.973 9.165 1.00 0.00 H new ATOM 0 HA GLN A 29 8.561 -4.630 12.045 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.001 -4.333 11.515 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.467 -5.984 11.272 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.099 -5.425 8.800 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.824 -3.857 9.097 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.966 -5.902 7.327 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.516 -6.379 8.029 1.00 0.00 H new ATOM 475 N GLY A 30 7.601 -2.544 10.424 1.00 0.00 N ATOM 476 CA GLY A 30 7.441 -1.113 10.042 1.00 0.00 C ATOM 477 C GLY A 30 5.961 -0.729 10.071 1.00 0.00 C ATOM 478 O GLY A 30 5.100 -1.505 9.707 1.00 0.00 O ATOM 0 H GLY A 30 6.732 -3.072 10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.004 -0.479 10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.850 -0.946 9.045 1.00 0.00 H new ATOM 482 N VAL A 31 5.660 0.468 10.508 1.00 0.00 N ATOM 483 CA VAL A 31 4.236 0.913 10.572 1.00 0.00 C ATOM 484 C VAL A 31 3.850 1.585 9.254 1.00 0.00 C ATOM 485 O VAL A 31 4.563 2.426 8.744 1.00 0.00 O ATOM 486 CB VAL A 31 4.065 1.909 11.722 1.00 0.00 C ATOM 487 CG1 VAL A 31 2.639 2.468 11.710 1.00 0.00 C ATOM 488 CG2 VAL A 31 4.323 1.204 13.057 1.00 0.00 C ATOM 0 H VAL A 31 6.342 1.158 10.824 1.00 0.00 H new ATOM 0 HA VAL A 31 3.593 0.049 10.740 1.00 0.00 H new ATOM 0 HB VAL A 31 4.777 2.725 11.599 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.519 3.177 12.529 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.455 2.974 10.762 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.927 1.651 11.830 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.201 1.915 13.874 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.614 0.386 13.179 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.339 0.809 13.069 1.00 0.00 H new ATOM 498 N LEU A 32 2.718 1.216 8.702 1.00 0.00 N ATOM 499 CA LEU A 32 2.258 1.824 7.413 1.00 0.00 C ATOM 500 C LEU A 32 1.098 2.771 7.694 1.00 0.00 C ATOM 501 O LEU A 32 0.104 2.392 8.279 1.00 0.00 O ATOM 502 CB LEU A 32 1.785 0.718 6.464 1.00 0.00 C ATOM 503 CG LEU A 32 1.424 1.306 5.091 1.00 0.00 C ATOM 504 CD1 LEU A 32 2.671 1.908 4.415 1.00 0.00 C ATOM 505 CD2 LEU A 32 0.849 0.187 4.216 1.00 0.00 C ATOM 0 H LEU A 32 2.089 0.515 9.093 1.00 0.00 H new ATOM 0 HA LEU A 32 3.082 2.371 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.568 -0.032 6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.918 0.212 6.889 1.00 0.00 H new ATOM 0 HG LEU A 32 0.688 2.100 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.396 2.319 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.078 2.701 5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.423 1.130 4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.587 0.589 3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.593 -0.601 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.043 -0.223 4.690 1.00 0.00 H new ATOM 517 N SER A 33 1.220 4.005 7.269 1.00 0.00 N ATOM 518 CA SER A 33 0.130 5.001 7.492 1.00 0.00 C ATOM 519 C SER A 33 -0.475 5.380 6.140 1.00 0.00 C ATOM 520 O SER A 33 0.220 5.813 5.242 1.00 0.00 O ATOM 521 CB SER A 33 0.712 6.249 8.155 1.00 0.00 C ATOM 522 OG SER A 33 -0.309 7.228 8.292 1.00 0.00 O ATOM 0 H SER A 33 2.035 4.366 6.773 1.00 0.00 H new ATOM 0 HA SER A 33 -0.638 4.574 8.137 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.124 5.997 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.532 6.644 7.556 1.00 0.00 H new ATOM 0 HG SER A 33 -0.043 7.886 8.967 1.00 0.00 H new ATOM 528 N ILE A 34 -1.766 5.224 5.993 1.00 0.00 N ATOM 529 CA ILE A 34 -2.435 5.575 4.703 1.00 0.00 C ATOM 530 C ILE A 34 -3.260 6.841 4.909 1.00 0.00 C ATOM 531 O ILE A 34 -4.111 6.893 5.771 1.00 0.00 O ATOM 532 CB ILE A 34 -3.361 4.427 4.283 1.00 0.00 C ATOM 533 CG1 ILE A 34 -2.540 3.147 4.104 1.00 0.00 C ATOM 534 CG2 ILE A 34 -4.051 4.778 2.960 1.00 0.00 C ATOM 535 CD1 ILE A 34 -3.483 1.953 3.943 1.00 0.00 C ATOM 0 H ILE A 34 -2.390 4.866 6.716 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.688 5.739 3.927 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.115 4.272 5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.896 3.235 3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.889 2.996 4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.708 3.960 2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.638 5.688 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.298 4.936 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.898 1.042 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.109 1.861 4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.115 2.104 3.068 1.00 0.00 H new ATOM 547 N LYS A 35 -3.013 7.861 4.121 1.00 0.00 N ATOM 548 CA LYS A 35 -3.776 9.143 4.262 1.00 0.00 C ATOM 549 C LYS A 35 -4.650 9.357 3.026 1.00 0.00 C ATOM 550 O LYS A 35 -4.232 9.139 1.905 1.00 0.00 O ATOM 551 CB LYS A 35 -2.794 10.311 4.388 1.00 0.00 C ATOM 552 CG LYS A 35 -2.064 10.229 5.729 1.00 0.00 C ATOM 553 CD LYS A 35 -1.101 11.410 5.861 1.00 0.00 C ATOM 554 CE LYS A 35 -0.457 11.387 7.248 1.00 0.00 C ATOM 555 NZ LYS A 35 0.351 10.145 7.397 1.00 0.00 N ATOM 0 H LYS A 35 -2.311 7.860 3.381 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.404 9.092 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.075 10.284 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.329 11.258 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.784 10.240 6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.516 9.290 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.332 11.355 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.636 12.348 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.176 12.264 7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.226 11.428 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.195 10.346 7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.220 9.413 7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.644 9.807 6.458 1.00 0.00 H new ATOM 569 N GLY A 36 -5.864 9.784 3.232 1.00 0.00 N ATOM 570 CA GLY A 36 -6.791 10.015 2.092 1.00 0.00 C ATOM 571 C GLY A 36 -8.160 10.411 2.647 1.00 0.00 C ATOM 572 O GLY A 36 -8.256 11.003 3.703 1.00 0.00 O ATOM 0 H GLY A 36 -6.257 9.985 4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.404 10.801 1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.876 9.114 1.485 1.00 0.00 H new ATOM 576 N GLU A 37 -9.220 10.080 1.953 1.00 0.00 N ATOM 577 CA GLU A 37 -10.590 10.430 2.453 1.00 0.00 C ATOM 578 C GLU A 37 -11.529 9.242 2.242 1.00 0.00 C ATOM 579 O GLU A 37 -11.424 8.522 1.273 1.00 0.00 O ATOM 580 CB GLU A 37 -11.126 11.643 1.689 1.00 0.00 C ATOM 581 CG GLU A 37 -10.283 12.874 2.030 1.00 0.00 C ATOM 582 CD GLU A 37 -10.989 14.133 1.524 1.00 0.00 C ATOM 583 OE1 GLU A 37 -11.807 14.010 0.627 1.00 0.00 O ATOM 584 OE2 GLU A 37 -10.703 15.199 2.044 1.00 0.00 O ATOM 0 H GLU A 37 -9.199 9.583 1.062 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.534 10.668 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.095 11.453 0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.169 11.819 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.132 12.937 3.108 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.296 12.790 1.574 1.00 0.00 H new ATOM 591 N LYS A 38 -12.445 9.037 3.151 1.00 0.00 N ATOM 592 CA LYS A 38 -13.400 7.896 3.022 1.00 0.00 C ATOM 593 C LYS A 38 -12.615 6.586 2.892 1.00 0.00 C ATOM 594 O LYS A 38 -12.750 5.853 1.933 1.00 0.00 O ATOM 595 CB LYS A 38 -14.287 8.094 1.787 1.00 0.00 C ATOM 596 CG LYS A 38 -15.032 9.434 1.873 1.00 0.00 C ATOM 597 CD LYS A 38 -16.221 9.328 2.837 1.00 0.00 C ATOM 598 CE LYS A 38 -16.995 10.647 2.836 1.00 0.00 C ATOM 599 NZ LYS A 38 -17.648 10.842 1.511 1.00 0.00 N ATOM 0 H LYS A 38 -12.574 9.614 3.982 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.032 7.854 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.676 8.067 0.885 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.004 7.276 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.350 10.214 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.384 9.725 0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.875 8.510 2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.868 9.101 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.746 10.640 3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.320 11.477 3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.446 11.502 1.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.958 11.232 0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.997 9.928 1.158 1.00 0.00 H new ATOM 613 N LEU A 39 -11.807 6.285 3.875 1.00 0.00 N ATOM 614 CA LEU A 39 -11.011 5.022 3.859 1.00 0.00 C ATOM 615 C LEU A 39 -11.816 3.944 4.581 1.00 0.00 C ATOM 616 O LEU A 39 -11.528 3.587 5.709 1.00 0.00 O ATOM 617 CB LEU A 39 -9.680 5.249 4.590 1.00 0.00 C ATOM 618 CG LEU A 39 -8.695 5.961 3.662 1.00 0.00 C ATOM 619 CD1 LEU A 39 -9.344 7.224 3.100 1.00 0.00 C ATOM 620 CD2 LEU A 39 -7.440 6.343 4.450 1.00 0.00 C ATOM 0 H LEU A 39 -11.663 6.869 4.699 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.804 4.715 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.844 5.845 5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.265 4.295 4.913 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.424 5.296 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.641 7.731 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.239 6.955 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.615 7.889 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.737 6.851 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.713 7.008 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.975 5.443 4.852 1.00 0.00 H new ATOM 632 N GLY A 40 -12.846 3.444 3.955 1.00 0.00 N ATOM 633 CA GLY A 40 -13.696 2.412 4.623 1.00 0.00 C ATOM 634 C GLY A 40 -13.136 1.012 4.372 1.00 0.00 C ATOM 635 O GLY A 40 -12.301 0.809 3.511 1.00 0.00 O ATOM 0 H GLY A 40 -13.137 3.703 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.739 2.606 5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.717 2.474 4.247 1.00 0.00 H new ATOM 639 N LEU A 46 -15.206 -11.569 7.288 1.00 0.00 N ATOM 640 CA LEU A 46 -14.171 -12.077 8.239 1.00 0.00 C ATOM 641 C LEU A 46 -13.934 -13.567 7.981 1.00 0.00 C ATOM 642 O LEU A 46 -14.818 -14.383 8.143 1.00 0.00 O ATOM 643 CB LEU A 46 -14.656 -11.874 9.683 1.00 0.00 C ATOM 644 CG LEU A 46 -13.658 -12.486 10.679 1.00 0.00 C ATOM 645 CD1 LEU A 46 -12.253 -11.906 10.454 1.00 0.00 C ATOM 646 CD2 LEU A 46 -14.121 -12.165 12.105 1.00 0.00 C ATOM 0 HA LEU A 46 -13.240 -11.530 8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -14.775 -10.810 9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -15.636 -12.335 9.812 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.618 -13.565 10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.558 -12.349 11.167 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.925 -12.131 9.439 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.278 -10.826 10.596 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -13.420 -12.595 12.821 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -14.161 -11.084 12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -15.112 -12.588 12.270 1.00 0.00 H new ATOM 658 N LYS A 47 -12.746 -13.928 7.589 1.00 0.00 N ATOM 659 CA LYS A 47 -12.445 -15.363 7.330 1.00 0.00 C ATOM 660 C LYS A 47 -10.935 -15.561 7.378 1.00 0.00 C ATOM 661 O LYS A 47 -10.394 -16.104 8.320 1.00 0.00 O ATOM 662 CB LYS A 47 -12.958 -15.756 5.942 1.00 0.00 C ATOM 663 CG LYS A 47 -12.696 -17.250 5.700 1.00 0.00 C ATOM 664 CD LYS A 47 -13.228 -17.663 4.314 1.00 0.00 C ATOM 665 CE LYS A 47 -14.701 -18.075 4.417 1.00 0.00 C ATOM 666 NZ LYS A 47 -14.804 -19.382 5.127 1.00 0.00 N ATOM 0 H LYS A 47 -11.966 -13.288 7.436 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.932 -15.983 8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -14.025 -15.546 5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.460 -15.160 5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.627 -17.455 5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.181 -17.843 6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.122 -16.835 3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.637 -18.490 3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.266 -17.313 4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.138 -18.155 3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.690 -19.855 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.997 -19.983 4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.798 -19.220 6.154 1.00 0.00 H new ATOM 680 N ALA A 48 -10.253 -15.117 6.364 1.00 0.00 N ATOM 681 CA ALA A 48 -8.774 -15.270 6.337 1.00 0.00 C ATOM 682 C ALA A 48 -8.141 -14.193 7.215 1.00 0.00 C ATOM 683 O ALA A 48 -6.941 -14.144 7.389 1.00 0.00 O ATOM 684 CB ALA A 48 -8.275 -15.104 4.901 1.00 0.00 C ATOM 0 H ALA A 48 -10.656 -14.653 5.550 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.501 -16.257 6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.191 -15.216 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.732 -15.864 4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.546 -14.114 4.534 1.00 0.00 H new ATOM 690 N GLY A 49 -8.937 -13.326 7.773 1.00 0.00 N ATOM 691 CA GLY A 49 -8.369 -12.255 8.639 1.00 0.00 C ATOM 692 C GLY A 49 -7.656 -11.220 7.765 1.00 0.00 C ATOM 693 O GLY A 49 -6.792 -10.496 8.219 1.00 0.00 O ATOM 0 H GLY A 49 -9.952 -13.311 7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.163 -11.777 9.214 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.670 -12.685 9.357 1.00 0.00 H new ATOM 697 N GLN A 50 -8.016 -11.144 6.514 1.00 0.00 N ATOM 698 CA GLN A 50 -7.367 -10.158 5.605 1.00 0.00 C ATOM 699 C GLN A 50 -8.027 -8.792 5.791 1.00 0.00 C ATOM 700 O GLN A 50 -9.121 -8.694 6.312 1.00 0.00 O ATOM 701 CB GLN A 50 -7.528 -10.616 4.155 1.00 0.00 C ATOM 702 CG GLN A 50 -6.675 -11.863 3.926 1.00 0.00 C ATOM 703 CD GLN A 50 -6.878 -12.364 2.498 1.00 0.00 C ATOM 704 OE1 GLN A 50 -7.577 -11.747 1.718 1.00 0.00 O ATOM 705 NE2 GLN A 50 -6.291 -13.465 2.120 1.00 0.00 N ATOM 0 H GLN A 50 -8.734 -11.724 6.081 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.305 -10.084 5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.575 -10.833 3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.223 -9.822 3.474 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.623 -11.633 4.096 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.950 -12.641 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.705 -13.981 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.418 -13.810 1.169 1.00 0.00 H new ATOM 714 N VAL A 51 -7.368 -7.734 5.375 1.00 0.00 N ATOM 715 CA VAL A 51 -7.951 -6.362 5.534 1.00 0.00 C ATOM 716 C VAL A 51 -7.969 -5.658 4.178 1.00 0.00 C ATOM 717 O VAL A 51 -7.010 -5.698 3.431 1.00 0.00 O ATOM 718 CB VAL A 51 -7.091 -5.562 6.523 1.00 0.00 C ATOM 719 CG1 VAL A 51 -5.616 -5.676 6.132 1.00 0.00 C ATOM 720 CG2 VAL A 51 -7.511 -4.086 6.505 1.00 0.00 C ATOM 0 H VAL A 51 -6.450 -7.762 4.932 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.970 -6.434 5.914 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.234 -5.965 7.526 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.008 -5.107 6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.313 -6.723 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.474 -5.279 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.897 -3.524 7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.376 -3.681 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.559 -4.003 6.791 1.00 0.00 H new ATOM 730 N GLU A 52 -9.063 -5.013 3.859 1.00 0.00 N ATOM 731 CA GLU A 52 -9.182 -4.290 2.555 1.00 0.00 C ATOM 732 C GLU A 52 -9.595 -2.844 2.808 1.00 0.00 C ATOM 733 O GLU A 52 -10.517 -2.569 3.547 1.00 0.00 O ATOM 734 CB GLU A 52 -10.228 -4.986 1.682 1.00 0.00 C ATOM 735 CG GLU A 52 -9.679 -6.339 1.217 1.00 0.00 C ATOM 736 CD GLU A 52 -10.777 -7.113 0.488 1.00 0.00 C ATOM 737 OE1 GLU A 52 -11.873 -6.587 0.380 1.00 0.00 O ATOM 738 OE2 GLU A 52 -10.507 -8.220 0.053 1.00 0.00 O ATOM 0 H GLU A 52 -9.889 -4.956 4.454 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.220 -4.301 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.151 -5.129 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.472 -4.364 0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.825 -6.189 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.323 -6.912 2.073 1.00 0.00 H new ATOM 745 N VAL A 53 -8.903 -1.919 2.190 1.00 0.00 N ATOM 746 CA VAL A 53 -9.214 -0.468 2.369 1.00 0.00 C ATOM 747 C VAL A 53 -9.560 0.137 1.007 1.00 0.00 C ATOM 748 O VAL A 53 -8.904 -0.120 0.019 1.00 0.00 O ATOM 749 CB VAL A 53 -7.983 0.248 2.937 1.00 0.00 C ATOM 750 CG1 VAL A 53 -8.205 1.764 2.908 1.00 0.00 C ATOM 751 CG2 VAL A 53 -7.751 -0.204 4.379 1.00 0.00 C ATOM 0 H VAL A 53 -8.124 -2.112 1.560 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.054 -0.352 3.054 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.112 -0.000 2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.327 2.268 3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.368 2.088 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.078 2.015 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.876 0.305 4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.625 0.042 4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.587 -1.281 4.401 1.00 0.00 H new ATOM 761 N GLU A 54 -10.590 0.941 0.955 1.00 0.00 N ATOM 762 CA GLU A 54 -11.002 1.579 -0.334 1.00 0.00 C ATOM 763 C GLU A 54 -11.179 3.084 -0.109 1.00 0.00 C ATOM 764 O GLU A 54 -11.583 3.526 0.958 1.00 0.00 O ATOM 765 CB GLU A 54 -12.319 0.963 -0.806 1.00 0.00 C ATOM 766 CG GLU A 54 -13.234 0.729 0.400 1.00 0.00 C ATOM 767 CD GLU A 54 -14.673 0.520 -0.074 1.00 0.00 C ATOM 768 OE1 GLU A 54 -15.043 1.121 -1.068 1.00 0.00 O ATOM 769 OE2 GLU A 54 -15.379 -0.240 0.567 1.00 0.00 O ATOM 0 H GLU A 54 -11.170 1.186 1.758 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.239 1.413 -1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.806 1.624 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.129 0.021 -1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.896 -0.142 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.185 1.582 1.077 1.00 0.00 H new ATOM 776 N GLY A 55 -10.869 3.868 -1.109 1.00 0.00 N ATOM 777 CA GLY A 55 -10.989 5.352 -0.990 1.00 0.00 C ATOM 778 C GLY A 55 -9.919 6.000 -1.877 1.00 0.00 C ATOM 779 O GLY A 55 -9.200 5.324 -2.589 1.00 0.00 O ATOM 0 H GLY A 55 -10.534 3.539 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.983 5.677 -1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.859 5.660 0.047 1.00 0.00 H new ATOM 783 N LEU A 56 -9.802 7.303 -1.842 1.00 0.00 N ATOM 784 CA LEU A 56 -8.771 7.996 -2.681 1.00 0.00 C ATOM 785 C LEU A 56 -7.525 8.277 -1.838 1.00 0.00 C ATOM 786 O LEU A 56 -7.604 8.848 -0.768 1.00 0.00 O ATOM 787 CB LEU A 56 -9.351 9.314 -3.209 1.00 0.00 C ATOM 788 CG LEU A 56 -9.733 10.257 -2.035 1.00 0.00 C ATOM 789 CD1 LEU A 56 -8.650 11.332 -1.843 1.00 0.00 C ATOM 790 CD2 LEU A 56 -11.075 10.947 -2.335 1.00 0.00 C ATOM 0 H LEU A 56 -10.376 7.920 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.495 7.359 -3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.622 9.805 -3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.231 9.111 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.819 9.662 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.929 11.987 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.697 10.853 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.555 11.920 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.338 11.607 -1.508 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.987 11.531 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.852 10.193 -2.458 1.00 0.00 H new ATOM 802 N ILE A 57 -6.373 7.871 -2.308 1.00 0.00 N ATOM 803 CA ILE A 57 -5.120 8.110 -1.531 1.00 0.00 C ATOM 804 C ILE A 57 -4.548 9.484 -1.879 1.00 0.00 C ATOM 805 O ILE A 57 -4.229 9.763 -3.017 1.00 0.00 O ATOM 806 CB ILE A 57 -4.088 7.036 -1.889 1.00 0.00 C ATOM 807 CG1 ILE A 57 -4.706 5.642 -1.702 1.00 0.00 C ATOM 808 CG2 ILE A 57 -2.850 7.185 -0.999 1.00 0.00 C ATOM 809 CD1 ILE A 57 -5.294 5.498 -0.294 1.00 0.00 C ATOM 0 H ILE A 57 -6.246 7.385 -3.196 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.347 8.069 -0.466 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.790 7.157 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.486 5.481 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.947 4.877 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.120 6.418 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.410 8.171 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.138 7.072 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.727 4.504 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.505 5.637 0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.068 6.250 -0.144 1.00 0.00 H new ATOM 821 N ASP A 58 -4.406 10.341 -0.898 1.00 0.00 N ATOM 822 CA ASP A 58 -3.839 11.705 -1.149 1.00 0.00 C ATOM 823 C ASP A 58 -2.409 11.771 -0.617 1.00 0.00 C ATOM 824 O ASP A 58 -1.676 12.698 -0.904 1.00 0.00 O ATOM 825 CB ASP A 58 -4.701 12.753 -0.438 1.00 0.00 C ATOM 826 CG ASP A 58 -6.009 12.956 -1.209 1.00 0.00 C ATOM 827 OD1 ASP A 58 -6.057 12.580 -2.369 1.00 0.00 O ATOM 828 OD2 ASP A 58 -6.939 13.493 -0.630 1.00 0.00 O ATOM 0 H ASP A 58 -4.660 10.154 0.072 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.834 11.905 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.915 12.431 0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.159 13.696 -0.367 1.00 0.00 H new ATOM 833 N ALA A 59 -2.000 10.804 0.154 1.00 0.00 N ATOM 834 CA ALA A 59 -0.613 10.840 0.693 1.00 0.00 C ATOM 835 C ALA A 59 -0.303 9.544 1.445 1.00 0.00 C ATOM 836 O ALA A 59 -1.186 8.855 1.917 1.00 0.00 O ATOM 837 CB ALA A 59 -0.474 12.032 1.644 1.00 0.00 C ATOM 0 H ALA A 59 -2.559 9.998 0.432 1.00 0.00 H new ATOM 0 HA ALA A 59 0.090 10.942 -0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.540 12.064 2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.680 12.955 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.183 11.927 2.465 1.00 0.00 H new ATOM 843 N LEU A 60 0.957 9.217 1.563 1.00 0.00 N ATOM 844 CA LEU A 60 1.372 7.980 2.290 1.00 0.00 C ATOM 845 C LEU A 60 2.603 8.306 3.134 1.00 0.00 C ATOM 846 O LEU A 60 3.520 8.960 2.674 1.00 0.00 O ATOM 847 CB LEU A 60 1.709 6.874 1.274 1.00 0.00 C ATOM 848 CG LEU A 60 0.423 6.138 0.840 1.00 0.00 C ATOM 849 CD1 LEU A 60 0.619 5.525 -0.553 1.00 0.00 C ATOM 850 CD2 LEU A 60 0.101 5.014 1.839 1.00 0.00 C ATOM 0 H LEU A 60 1.729 9.763 1.180 1.00 0.00 H new ATOM 0 HA LEU A 60 0.564 7.631 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.200 7.308 0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.410 6.166 1.716 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.399 6.853 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.292 5.007 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.841 6.315 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.447 4.817 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.807 4.499 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.928 4.305 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.046 5.440 2.831 1.00 0.00 H new ATOM 862 N VAL A 61 2.630 7.859 4.364 1.00 0.00 N ATOM 863 CA VAL A 61 3.801 8.143 5.251 1.00 0.00 C ATOM 864 C VAL A 61 4.309 6.829 5.853 1.00 0.00 C ATOM 865 O VAL A 61 3.558 6.058 6.419 1.00 0.00 O ATOM 866 CB VAL A 61 3.356 9.081 6.376 1.00 0.00 C ATOM 867 CG1 VAL A 61 4.486 9.242 7.398 1.00 0.00 C ATOM 868 CG2 VAL A 61 2.989 10.450 5.786 1.00 0.00 C ATOM 0 H VAL A 61 1.888 7.307 4.795 1.00 0.00 H new ATOM 0 HA VAL A 61 4.599 8.611 4.675 1.00 0.00 H new ATOM 0 HB VAL A 61 2.485 8.657 6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.163 9.911 8.196 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.737 8.269 7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.364 9.661 6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.672 11.118 6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.858 10.874 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.176 10.331 5.069 1.00 0.00 H new ATOM 878 N TYR A 62 5.585 6.578 5.741 1.00 0.00 N ATOM 879 CA TYR A 62 6.171 5.328 6.312 1.00 0.00 C ATOM 880 C TYR A 62 7.582 5.658 6.825 1.00 0.00 C ATOM 881 O TYR A 62 8.294 6.398 6.182 1.00 0.00 O ATOM 882 CB TYR A 62 6.259 4.263 5.210 1.00 0.00 C ATOM 883 CG TYR A 62 7.001 3.052 5.726 1.00 0.00 C ATOM 884 CD1 TYR A 62 8.399 3.025 5.712 1.00 0.00 C ATOM 885 CD2 TYR A 62 6.287 1.953 6.217 1.00 0.00 C ATOM 886 CE1 TYR A 62 9.084 1.902 6.188 1.00 0.00 C ATOM 887 CE2 TYR A 62 6.971 0.830 6.695 1.00 0.00 C ATOM 888 CZ TYR A 62 8.370 0.804 6.681 1.00 0.00 C ATOM 889 OH TYR A 62 9.044 -0.304 7.148 1.00 0.00 O ATOM 0 H TYR A 62 6.254 7.190 5.274 1.00 0.00 H new ATOM 0 HA TYR A 62 5.552 4.949 7.125 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.258 3.977 4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.771 4.670 4.338 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.951 3.873 5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.207 1.972 6.227 1.00 0.00 H new ATOM 0 HE1 TYR A 62 10.164 1.882 6.175 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.419 -0.017 7.075 1.00 0.00 H new ATOM 0 HH TYR A 62 9.911 -0.030 7.513 1.00 0.00 H new ATOM 899 N PRO A 63 8.001 5.134 7.958 1.00 0.00 N ATOM 900 CA PRO A 63 9.361 5.425 8.493 1.00 0.00 C ATOM 901 C PRO A 63 10.445 4.575 7.812 1.00 0.00 C ATOM 902 O PRO A 63 10.494 3.373 7.979 1.00 0.00 O ATOM 903 CB PRO A 63 9.236 5.056 9.972 1.00 0.00 C ATOM 904 CG PRO A 63 8.231 3.948 9.999 1.00 0.00 C ATOM 905 CD PRO A 63 7.246 4.233 8.855 1.00 0.00 C ATOM 0 HA PRO A 63 9.663 6.458 8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.193 4.734 10.383 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.904 5.907 10.567 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.715 2.981 9.864 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.714 3.915 10.958 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.949 3.317 8.345 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.334 4.704 9.220 1.00 0.00 H new ATOM 913 N LEU A 64 11.320 5.201 7.058 1.00 0.00 N ATOM 914 CA LEU A 64 12.422 4.447 6.371 1.00 0.00 C ATOM 915 C LEU A 64 13.747 4.727 7.092 1.00 0.00 C ATOM 916 O LEU A 64 14.799 4.290 6.669 1.00 0.00 O ATOM 917 CB LEU A 64 12.541 4.874 4.890 1.00 0.00 C ATOM 918 CG LEU A 64 12.269 6.383 4.707 1.00 0.00 C ATOM 919 CD1 LEU A 64 10.770 6.712 4.920 1.00 0.00 C ATOM 920 CD2 LEU A 64 13.145 7.193 5.677 1.00 0.00 C ATOM 0 H LEU A 64 11.319 6.207 6.888 1.00 0.00 H new ATOM 0 HA LEU A 64 12.193 3.382 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.539 4.637 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.835 4.301 4.288 1.00 0.00 H new ATOM 0 HG LEU A 64 12.525 6.658 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.609 7.782 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.170 6.161 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.474 6.426 5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.948 8.257 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.912 6.907 6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.196 6.990 5.474 1.00 0.00 H new ATOM 932 N GLU A 65 13.704 5.470 8.162 1.00 0.00 N ATOM 933 CA GLU A 65 14.957 5.802 8.896 1.00 0.00 C ATOM 934 C GLU A 65 15.458 4.594 9.697 1.00 0.00 C ATOM 935 O GLU A 65 14.714 3.696 10.041 1.00 0.00 O ATOM 936 CB GLU A 65 14.683 6.977 9.854 1.00 0.00 C ATOM 937 CG GLU A 65 13.253 6.874 10.409 1.00 0.00 C ATOM 938 CD GLU A 65 13.151 7.645 11.728 1.00 0.00 C ATOM 939 OE1 GLU A 65 13.832 7.265 12.666 1.00 0.00 O ATOM 940 OE2 GLU A 65 12.393 8.599 11.778 1.00 0.00 O ATOM 0 H GLU A 65 12.852 5.863 8.561 1.00 0.00 H new ATOM 0 HA GLU A 65 15.725 6.077 8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.402 6.966 10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 65 14.812 7.924 9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.543 7.276 9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.989 5.828 10.567 1.00 0.00 H new ATOM 947 N HIS A 66 16.726 4.591 10.002 1.00 0.00 N ATOM 948 CA HIS A 66 17.327 3.483 10.792 1.00 0.00 C ATOM 949 C HIS A 66 18.548 4.043 11.528 1.00 0.00 C ATOM 950 O HIS A 66 18.417 4.811 12.459 1.00 0.00 O ATOM 951 CB HIS A 66 17.741 2.339 9.856 1.00 0.00 C ATOM 952 CG HIS A 66 18.285 2.908 8.576 1.00 0.00 C ATOM 953 ND1 HIS A 66 17.496 3.641 7.703 1.00 0.00 N ATOM 954 CD2 HIS A 66 19.530 2.852 8.000 1.00 0.00 C ATOM 955 CE1 HIS A 66 18.266 3.993 6.656 1.00 0.00 C ATOM 956 NE2 HIS A 66 19.512 3.536 6.790 1.00 0.00 N ATOM 0 H HIS A 66 17.382 5.324 9.731 1.00 0.00 H new ATOM 0 HA HIS A 66 16.608 3.087 11.509 1.00 0.00 H new ATOM 0 HB2 HIS A 66 18.494 1.716 10.338 1.00 0.00 H new ATOM 0 HB3 HIS A 66 16.884 1.699 9.646 1.00 0.00 H new ATOM 0 HD2 HIS A 66 20.390 2.354 8.422 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.918 4.573 5.814 1.00 0.00 H new ATOM 0 HE2 HIS A 66 20.289 3.662 6.141 1.00 0.00 H new ATOM 964 N HIS A 67 19.730 3.690 11.114 1.00 0.00 N ATOM 965 CA HIS A 67 20.938 4.235 11.797 1.00 0.00 C ATOM 966 C HIS A 67 22.178 3.953 10.956 1.00 0.00 C ATOM 967 O HIS A 67 22.563 2.817 10.760 1.00 0.00 O ATOM 968 CB HIS A 67 21.102 3.576 13.167 1.00 0.00 C ATOM 969 CG HIS A 67 22.314 4.150 13.849 1.00 0.00 C ATOM 970 ND1 HIS A 67 23.039 3.734 14.939 1.00 0.00 N flip ATOM 971 CD2 HIS A 67 22.923 5.318 13.412 1.00 0.00 C flip ATOM 972 CE1 HIS A 67 24.079 4.628 15.171 1.00 0.00 C flip ATOM 973 NE2 HIS A 67 23.964 5.562 14.227 1.00 0.00 N flip ATOM 0 H HIS A 67 19.914 3.053 10.339 1.00 0.00 H new ATOM 0 HA HIS A 67 20.817 5.311 11.922 1.00 0.00 H new ATOM 0 HB2 HIS A 67 20.213 3.746 13.775 1.00 0.00 H new ATOM 0 HB3 HIS A 67 21.210 2.497 13.055 1.00 0.00 H new ATOM 0 HD1 HIS A 67 22.845 2.899 15.492 1.00 0.00 H new ATOM 0 HD2 HIS A 67 22.616 5.921 12.570 1.00 0.00 H new ATOM 0 HE1 HIS A 67 24.823 4.576 15.952 1.00 0.00 H new ATOM 981 N HIS A 68 22.821 4.978 10.465 1.00 0.00 N ATOM 982 CA HIS A 68 24.050 4.767 9.645 1.00 0.00 C ATOM 983 C HIS A 68 24.999 5.949 9.858 1.00 0.00 C ATOM 984 O HIS A 68 24.801 7.015 9.314 1.00 0.00 O ATOM 985 CB HIS A 68 23.665 4.656 8.158 1.00 0.00 C ATOM 986 CG HIS A 68 24.726 3.887 7.414 1.00 0.00 C ATOM 987 ND1 HIS A 68 24.420 3.003 6.390 1.00 0.00 N ATOM 988 CD2 HIS A 68 26.092 3.841 7.555 1.00 0.00 C ATOM 989 CE1 HIS A 68 25.577 2.465 5.957 1.00 0.00 C ATOM 990 NE2 HIS A 68 26.621 2.942 6.635 1.00 0.00 N ATOM 0 H HIS A 68 22.549 5.952 10.596 1.00 0.00 H new ATOM 0 HA HIS A 68 24.547 3.845 9.948 1.00 0.00 H new ATOM 0 HB2 HIS A 68 22.702 4.155 8.058 1.00 0.00 H new ATOM 0 HB3 HIS A 68 23.553 5.651 7.726 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.665 4.414 8.269 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.649 1.739 5.161 1.00 0.00 H new ATOM 0 HE2 HIS A 68 27.603 2.698 6.506 1.00 0.00 H new ATOM 998 N HIS A 69 26.020 5.761 10.655 1.00 0.00 N ATOM 999 CA HIS A 69 26.994 6.863 10.927 1.00 0.00 C ATOM 1000 C HIS A 69 26.261 8.090 11.486 1.00 0.00 C ATOM 1001 O HIS A 69 25.412 8.672 10.842 1.00 0.00 O ATOM 1002 CB HIS A 69 27.726 7.242 9.638 1.00 0.00 C ATOM 1003 CG HIS A 69 28.665 8.382 9.915 1.00 0.00 C ATOM 1004 ND1 HIS A 69 28.207 9.655 10.223 1.00 0.00 N ATOM 1005 CD2 HIS A 69 30.036 8.462 9.932 1.00 0.00 C ATOM 1006 CE1 HIS A 69 29.283 10.441 10.409 1.00 0.00 C ATOM 1007 NE2 HIS A 69 30.420 9.761 10.244 1.00 0.00 N ATOM 0 H HIS A 69 26.223 4.883 11.134 1.00 0.00 H new ATOM 0 HA HIS A 69 27.719 6.517 11.663 1.00 0.00 H new ATOM 0 HB2 HIS A 69 28.280 6.385 9.256 1.00 0.00 H new ATOM 0 HB3 HIS A 69 27.008 7.526 8.869 1.00 0.00 H new ATOM 0 HD2 HIS A 69 30.711 7.643 9.734 1.00 0.00 H new ATOM 0 HE1 HIS A 69 29.233 11.490 10.660 1.00 0.00 H new ATOM 0 HE2 HIS A 69 31.371 10.120 10.329 1.00 0.00 H new ATOM 1015 N HIS A 70 26.593 8.489 12.684 1.00 0.00 N ATOM 1016 CA HIS A 70 25.925 9.677 13.291 1.00 0.00 C ATOM 1017 C HIS A 70 26.412 10.952 12.593 1.00 0.00 C ATOM 1018 O HIS A 70 27.583 11.116 12.322 1.00 0.00 O ATOM 1019 CB HIS A 70 26.278 9.749 14.788 1.00 0.00 C ATOM 1020 CG HIS A 70 25.377 8.842 15.586 1.00 0.00 C ATOM 1021 ND1 HIS A 70 25.565 8.178 16.776 1.00 0.00 N flip ATOM 1022 CD2 HIS A 70 24.083 8.544 15.187 1.00 0.00 C flip ATOM 1023 CE1 HIS A 70 24.408 7.483 17.107 1.00 0.00 C flip ATOM 1024 NE2 HIS A 70 23.546 7.735 16.121 1.00 0.00 N flip ATOM 0 H HIS A 70 27.299 8.043 13.270 1.00 0.00 H new ATOM 0 HA HIS A 70 24.845 9.588 13.172 1.00 0.00 H new ATOM 0 HB2 HIS A 70 27.319 9.461 14.937 1.00 0.00 H new ATOM 0 HB3 HIS A 70 26.178 10.775 15.143 1.00 0.00 H new ATOM 0 HD2 HIS A 70 23.594 8.896 14.291 1.00 0.00 H new ATOM 0 HE1 HIS A 70 24.242 6.868 17.979 1.00 0.00 H new ATOM 0 HE2 HIS A 70 22.598 7.362 16.079 1.00 0.00 H new ATOM 1032 N HIS A 71 25.515 11.859 12.310 1.00 0.00 N ATOM 1033 CA HIS A 71 25.920 13.127 11.638 1.00 0.00 C ATOM 1034 C HIS A 71 24.736 14.107 11.645 1.00 0.00 C ATOM 1035 O HIS A 71 23.614 13.647 11.782 1.00 0.00 O ATOM 1036 CB HIS A 71 26.377 12.823 10.196 1.00 0.00 C ATOM 1037 CG HIS A 71 25.195 12.762 9.258 1.00 0.00 C ATOM 1038 ND1 HIS A 71 25.048 13.647 8.199 1.00 0.00 N ATOM 1039 CD2 HIS A 71 24.099 11.939 9.215 1.00 0.00 C ATOM 1040 CE1 HIS A 71 23.899 13.339 7.569 1.00 0.00 C ATOM 1041 NE2 HIS A 71 23.286 12.307 8.149 1.00 0.00 N ATOM 1042 OXT HIS A 71 24.974 15.297 11.515 1.00 0.00 O ATOM 0 H HIS A 71 24.519 11.776 12.515 1.00 0.00 H new ATOM 0 HA HIS A 71 26.752 13.584 12.173 1.00 0.00 H new ATOM 0 HB2 HIS A 71 27.073 13.592 9.861 1.00 0.00 H new ATOM 0 HB3 HIS A 71 26.914 11.875 10.173 1.00 0.00 H new ATOM 0 HD2 HIS A 71 23.899 11.131 9.902 1.00 0.00 H new ATOM 0 HE1 HIS A 71 23.521 13.862 6.703 1.00 0.00 H new ATOM 0 HE2 HIS A 71 22.404 11.877 7.869 1.00 0.00 H new TER 1050 HIS A 71 ATOM 1051 N MET B 1 9.206 -16.438 10.625 1.00 0.00 N ATOM 1052 CA MET B 1 7.723 -16.585 10.600 1.00 0.00 C ATOM 1053 C MET B 1 7.228 -16.388 9.166 1.00 0.00 C ATOM 1054 O MET B 1 7.701 -17.023 8.242 1.00 0.00 O ATOM 1055 CB MET B 1 7.091 -15.530 11.518 1.00 0.00 C ATOM 1056 CG MET B 1 5.649 -15.929 11.858 1.00 0.00 C ATOM 1057 SD MET B 1 5.667 -17.363 12.962 1.00 0.00 S ATOM 1058 CE MET B 1 5.659 -16.452 14.525 1.00 0.00 C ATOM 0 H1 MET B 1 9.552 -16.570 11.597 1.00 0.00 H new ATOM 0 H2 MET B 1 9.636 -17.153 10.004 1.00 0.00 H new ATOM 0 H3 MET B 1 9.466 -15.488 10.291 1.00 0.00 H new ATOM 0 HA MET B 1 7.441 -17.578 10.950 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.676 -15.434 12.433 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.102 -14.556 11.029 1.00 0.00 H new ATOM 0 HG2 MET B 1 5.132 -15.096 12.334 1.00 0.00 H new ATOM 0 HG3 MET B 1 5.101 -16.165 10.946 1.00 0.00 H new ATOM 0 HE1 MET B 1 5.668 -17.156 15.357 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.542 -15.815 14.579 1.00 0.00 H new ATOM 0 HE3 MET B 1 4.762 -15.835 14.582 1.00 0.00 H new ATOM 1070 N ASP B 2 6.278 -15.510 8.975 1.00 0.00 N ATOM 1071 CA ASP B 2 5.732 -15.249 7.611 1.00 0.00 C ATOM 1072 C ASP B 2 5.722 -13.740 7.358 1.00 0.00 C ATOM 1073 O ASP B 2 4.794 -13.043 7.717 1.00 0.00 O ATOM 1074 CB ASP B 2 4.303 -15.795 7.546 1.00 0.00 C ATOM 1075 CG ASP B 2 4.327 -17.282 7.171 1.00 0.00 C ATOM 1076 OD1 ASP B 2 4.468 -17.574 5.995 1.00 0.00 O ATOM 1077 OD2 ASP B 2 4.193 -18.101 8.064 1.00 0.00 O ATOM 0 H ASP B 2 5.852 -14.955 9.717 1.00 0.00 H new ATOM 0 HA ASP B 2 6.347 -15.736 6.854 1.00 0.00 H new ATOM 0 HB2 ASP B 2 3.810 -15.662 8.509 1.00 0.00 H new ATOM 0 HB3 ASP B 2 3.724 -15.235 6.811 1.00 0.00 H new ATOM 1082 N ASN B 3 6.748 -13.235 6.735 1.00 0.00 N ATOM 1083 CA ASN B 3 6.813 -11.773 6.439 1.00 0.00 C ATOM 1084 C ASN B 3 6.312 -11.524 5.017 1.00 0.00 C ATOM 1085 O ASN B 3 6.302 -10.408 4.532 1.00 0.00 O ATOM 1086 CB ASN B 3 8.263 -11.310 6.541 1.00 0.00 C ATOM 1087 CG ASN B 3 9.132 -12.203 5.655 1.00 0.00 C ATOM 1088 OD1 ASN B 3 9.219 -13.394 5.875 1.00 0.00 O ATOM 1089 ND2 ASN B 3 9.767 -11.678 4.647 1.00 0.00 N ATOM 0 H ASN B 3 7.552 -13.774 6.415 1.00 0.00 H new ATOM 0 HA ASN B 3 6.194 -11.225 7.150 1.00 0.00 H new ATOM 0 HB2 ASN B 3 8.349 -10.270 6.227 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.603 -11.360 7.575 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.338 -12.267 4.041 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.693 -10.677 4.463 1.00 0.00 H new ATOM 1096 N ARG B 4 5.896 -12.559 4.345 1.00 0.00 N ATOM 1097 CA ARG B 4 5.394 -12.393 2.956 1.00 0.00 C ATOM 1098 C ARG B 4 4.065 -11.644 2.991 1.00 0.00 C ATOM 1099 O ARG B 4 3.254 -11.841 3.873 1.00 0.00 O ATOM 1100 CB ARG B 4 5.180 -13.774 2.328 1.00 0.00 C ATOM 1101 CG ARG B 4 6.491 -14.575 2.329 1.00 0.00 C ATOM 1102 CD ARG B 4 7.389 -14.123 1.172 1.00 0.00 C ATOM 1103 NE ARG B 4 6.650 -14.287 -0.115 1.00 0.00 N ATOM 1104 CZ ARG B 4 6.617 -15.450 -0.710 1.00 0.00 C ATOM 1105 NH1 ARG B 4 7.250 -16.467 -0.192 1.00 0.00 N ATOM 1106 NH2 ARG B 4 5.949 -15.596 -1.822 1.00 0.00 N ATOM 0 H ARG B 4 5.882 -13.515 4.700 1.00 0.00 H new ATOM 0 HA ARG B 4 6.118 -11.831 2.367 1.00 0.00 H new ATOM 0 HB2 ARG B 4 4.415 -14.317 2.882 1.00 0.00 H new ATOM 0 HB3 ARG B 4 4.816 -13.663 1.307 1.00 0.00 H new ATOM 0 HG2 ARG B 4 7.010 -14.436 3.277 1.00 0.00 H new ATOM 0 HG3 ARG B 4 6.275 -15.639 2.237 1.00 0.00 H new ATOM 0 HD2 ARG B 4 7.681 -13.082 1.308 1.00 0.00 H new ATOM 0 HD3 ARG B 4 8.306 -14.712 1.156 1.00 0.00 H new ATOM 0 HE ARG B 4 6.170 -13.489 -0.531 1.00 0.00 H new ATOM 0 HH11 ARG B 4 7.771 -16.354 0.678 1.00 0.00 H new ATOM 0 HH12 ARG B 4 7.224 -17.375 -0.657 1.00 0.00 H new ATOM 0 HH21 ARG B 4 5.453 -14.802 -2.227 1.00 0.00 H new ATOM 0 HH22 ARG B 4 5.923 -16.504 -2.286 1.00 0.00 H new ATOM 1120 N GLN B 5 3.834 -10.782 2.038 1.00 0.00 N ATOM 1121 CA GLN B 5 2.555 -10.011 2.013 1.00 0.00 C ATOM 1122 C GLN B 5 2.105 -9.800 0.570 1.00 0.00 C ATOM 1123 O GLN B 5 2.906 -9.764 -0.344 1.00 0.00 O ATOM 1124 CB GLN B 5 2.764 -8.648 2.670 1.00 0.00 C ATOM 1125 CG GLN B 5 2.982 -8.835 4.169 1.00 0.00 C ATOM 1126 CD GLN B 5 3.119 -7.469 4.836 1.00 0.00 C ATOM 1127 OE1 GLN B 5 2.126 -7.011 5.546 1.00 0.00 O flip ATOM 1128 NE2 GLN B 5 4.123 -6.801 4.690 1.00 0.00 N flip ATOM 0 H GLN B 5 4.477 -10.577 1.273 1.00 0.00 H new ATOM 0 HA GLN B 5 1.794 -10.571 2.556 1.00 0.00 H new ATOM 0 HB2 GLN B 5 3.624 -8.146 2.226 1.00 0.00 H new ATOM 0 HB3 GLN B 5 1.897 -8.011 2.494 1.00 0.00 H new ATOM 0 HG2 GLN B 5 2.145 -9.382 4.604 1.00 0.00 H new ATOM 0 HG3 GLN B 5 3.878 -9.430 4.346 1.00 0.00 H new ATOM 0 HE21 GLN B 5 4.899 -7.161 4.134 1.00 0.00 H new ATOM 0 HE22 GLN B 5 4.190 -5.880 5.123 1.00 0.00 H new ATOM 1137 N PHE B 6 0.821 -9.651 0.370 1.00 0.00 N ATOM 1138 CA PHE B 6 0.274 -9.424 -1.003 1.00 0.00 C ATOM 1139 C PHE B 6 -0.335 -8.023 -1.045 1.00 0.00 C ATOM 1140 O PHE B 6 -1.123 -7.665 -0.195 1.00 0.00 O ATOM 1141 CB PHE B 6 -0.815 -10.461 -1.283 1.00 0.00 C ATOM 1142 CG PHE B 6 -0.322 -11.816 -0.843 1.00 0.00 C ATOM 1143 CD1 PHE B 6 0.602 -12.514 -1.626 1.00 0.00 C ATOM 1144 CD2 PHE B 6 -0.782 -12.370 0.357 1.00 0.00 C ATOM 1145 CE1 PHE B 6 1.069 -13.764 -1.214 1.00 0.00 C ATOM 1146 CE2 PHE B 6 -0.318 -13.622 0.773 1.00 0.00 C ATOM 1147 CZ PHE B 6 0.608 -14.321 -0.013 1.00 0.00 C ATOM 0 H PHE B 6 0.118 -9.677 1.109 1.00 0.00 H new ATOM 0 HA PHE B 6 1.061 -9.516 -1.751 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -1.729 -10.201 -0.750 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -1.058 -10.475 -2.345 1.00 0.00 H new ATOM 0 HD1 PHE B 6 0.956 -12.085 -2.552 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -1.496 -11.830 0.962 1.00 0.00 H new ATOM 0 HE1 PHE B 6 1.784 -14.301 -1.820 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -0.673 -14.050 1.699 1.00 0.00 H new ATOM 0 HZ PHE B 6 0.966 -15.288 0.306 1.00 0.00 H new ATOM 1157 N LEU B 7 0.025 -7.226 -2.021 1.00 0.00 N ATOM 1158 CA LEU B 7 -0.532 -5.837 -2.113 1.00 0.00 C ATOM 1159 C LEU B 7 -1.262 -5.679 -3.443 1.00 0.00 C ATOM 1160 O LEU B 7 -0.703 -5.903 -4.500 1.00 0.00 O ATOM 1161 CB LEU B 7 0.621 -4.830 -2.032 1.00 0.00 C ATOM 1162 CG LEU B 7 0.077 -3.403 -1.820 1.00 0.00 C ATOM 1163 CD1 LEU B 7 1.221 -2.501 -1.345 1.00 0.00 C ATOM 1164 CD2 LEU B 7 -0.523 -2.843 -3.130 1.00 0.00 C ATOM 0 H LEU B 7 0.682 -7.476 -2.760 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.229 -5.658 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.288 -5.097 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.211 -4.869 -2.948 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.713 -3.431 -1.070 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.847 -1.489 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.622 -2.885 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU B 7 2.009 -2.486 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.900 -1.835 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.248 -2.814 -3.900 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.340 -3.485 -3.459 1.00 0.00 H new ATOM 1176 N SER B 8 -2.513 -5.290 -3.395 1.00 0.00 N ATOM 1177 CA SER B 8 -3.313 -5.104 -4.647 1.00 0.00 C ATOM 1178 C SER B 8 -3.764 -3.650 -4.747 1.00 0.00 C ATOM 1179 O SER B 8 -4.173 -3.047 -3.778 1.00 0.00 O ATOM 1180 CB SER B 8 -4.544 -6.011 -4.600 1.00 0.00 C ATOM 1181 OG SER B 8 -4.152 -7.321 -4.211 1.00 0.00 O ATOM 0 H SER B 8 -3.020 -5.091 -2.532 1.00 0.00 H new ATOM 0 HA SER B 8 -2.702 -5.359 -5.513 1.00 0.00 H new ATOM 0 HB2 SER B 8 -5.275 -5.614 -3.895 1.00 0.00 H new ATOM 0 HB3 SER B 8 -5.026 -6.039 -5.577 1.00 0.00 H new ATOM 0 HG SER B 8 -4.940 -7.902 -4.179 1.00 0.00 H new ATOM 1187 N LEU B 9 -3.698 -3.080 -5.923 1.00 0.00 N ATOM 1188 CA LEU B 9 -4.129 -1.662 -6.098 1.00 0.00 C ATOM 1189 C LEU B 9 -4.739 -1.489 -7.490 1.00 0.00 C ATOM 1190 O LEU B 9 -4.265 -2.049 -8.464 1.00 0.00 O ATOM 1191 CB LEU B 9 -2.923 -0.728 -5.942 1.00 0.00 C ATOM 1192 CG LEU B 9 -3.370 0.739 -6.033 1.00 0.00 C ATOM 1193 CD1 LEU B 9 -4.328 1.080 -4.872 1.00 0.00 C ATOM 1194 CD2 LEU B 9 -2.132 1.642 -5.962 1.00 0.00 C ATOM 0 H LEU B 9 -3.363 -3.537 -6.771 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.871 -1.412 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -2.436 -0.908 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.187 -0.940 -6.718 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.894 0.899 -6.975 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.637 2.123 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.206 0.437 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.818 0.922 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -2.439 2.686 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -1.612 1.474 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -1.464 1.409 -6.791 1.00 0.00 H new ATOM 1206 N THR B 10 -5.790 -0.716 -7.587 1.00 0.00 N ATOM 1207 CA THR B 10 -6.453 -0.484 -8.908 1.00 0.00 C ATOM 1208 C THR B 10 -6.729 1.013 -9.056 1.00 0.00 C ATOM 1209 O THR B 10 -7.609 1.560 -8.422 1.00 0.00 O ATOM 1210 CB THR B 10 -7.772 -1.269 -8.967 1.00 0.00 C ATOM 1211 OG1 THR B 10 -8.832 -0.451 -8.493 1.00 0.00 O ATOM 1212 CG2 THR B 10 -7.665 -2.524 -8.097 1.00 0.00 C ATOM 0 H THR B 10 -6.222 -0.231 -6.801 1.00 0.00 H new ATOM 0 HA THR B 10 -5.807 -0.823 -9.718 1.00 0.00 H new ATOM 0 HB THR B 10 -7.972 -1.562 -9.998 1.00 0.00 H new ATOM 0 HG1 THR B 10 -8.475 0.223 -7.877 1.00 0.00 H new ATOM 0 HG21 THR B 10 -8.602 -3.078 -8.141 1.00 0.00 H new ATOM 0 HG22 THR B 10 -6.854 -3.153 -8.464 1.00 0.00 H new ATOM 0 HG23 THR B 10 -7.462 -2.236 -7.066 1.00 0.00 H new ATOM 1220 N GLY B 11 -5.974 1.684 -9.883 1.00 0.00 N ATOM 1221 CA GLY B 11 -6.176 3.153 -10.070 1.00 0.00 C ATOM 1222 C GLY B 11 -4.822 3.812 -10.321 1.00 0.00 C ATOM 1223 O GLY B 11 -4.477 4.805 -9.709 1.00 0.00 O ATOM 0 H GLY B 11 -5.222 1.278 -10.440 1.00 0.00 H new ATOM 0 HA2 GLY B 11 -6.846 3.337 -10.910 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -6.647 3.584 -9.186 1.00 0.00 H new ATOM 1227 N VAL B 12 -4.048 3.257 -11.215 1.00 0.00 N ATOM 1228 CA VAL B 12 -2.702 3.827 -11.519 1.00 0.00 C ATOM 1229 C VAL B 12 -2.747 4.568 -12.854 1.00 0.00 C ATOM 1230 O VAL B 12 -3.239 4.062 -13.843 1.00 0.00 O ATOM 1231 CB VAL B 12 -1.684 2.688 -11.605 1.00 0.00 C ATOM 1232 CG1 VAL B 12 -2.033 1.774 -12.782 1.00 0.00 C ATOM 1233 CG2 VAL B 12 -0.285 3.273 -11.808 1.00 0.00 C ATOM 0 H VAL B 12 -4.293 2.426 -11.753 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.414 4.523 -10.731 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.707 2.109 -10.681 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -1.307 0.964 -12.841 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.030 1.358 -12.636 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.012 2.349 -13.708 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.442 2.464 -11.870 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.263 3.852 -12.731 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.036 3.921 -10.968 1.00 0.00 H new ATOM 1243 N SER B 13 -2.238 5.766 -12.890 1.00 0.00 N ATOM 1244 CA SER B 13 -2.252 6.534 -14.165 1.00 0.00 C ATOM 1245 C SER B 13 -1.250 5.907 -15.135 1.00 0.00 C ATOM 1246 O SER B 13 -1.535 5.719 -16.301 1.00 0.00 O ATOM 1247 CB SER B 13 -1.863 7.989 -13.888 1.00 0.00 C ATOM 1248 OG SER B 13 -2.264 8.797 -14.987 1.00 0.00 O ATOM 0 H SER B 13 -1.814 6.246 -12.096 1.00 0.00 H new ATOM 0 HA SER B 13 -3.250 6.508 -14.603 1.00 0.00 H new ATOM 0 HB2 SER B 13 -2.340 8.337 -12.972 1.00 0.00 H new ATOM 0 HB3 SER B 13 -0.786 8.068 -13.737 1.00 0.00 H new ATOM 0 HG SER B 13 -2.019 9.730 -14.814 1.00 0.00 H new ATOM 1254 N LYS B 14 -0.084 5.568 -14.661 1.00 0.00 N ATOM 1255 CA LYS B 14 0.927 4.937 -15.556 1.00 0.00 C ATOM 1256 C LYS B 14 2.114 4.456 -14.718 1.00 0.00 C ATOM 1257 O LYS B 14 2.324 4.903 -13.608 1.00 0.00 O ATOM 1258 CB LYS B 14 1.402 5.951 -16.609 1.00 0.00 C ATOM 1259 CG LYS B 14 1.967 7.222 -15.924 1.00 0.00 C ATOM 1260 CD LYS B 14 3.505 7.184 -15.903 1.00 0.00 C ATOM 1261 CE LYS B 14 4.062 7.663 -17.247 1.00 0.00 C ATOM 1262 NZ LYS B 14 5.551 7.696 -17.184 1.00 0.00 N ATOM 0 H LYS B 14 0.213 5.700 -13.694 1.00 0.00 H new ATOM 0 HA LYS B 14 0.478 4.086 -16.068 1.00 0.00 H new ATOM 0 HB2 LYS B 14 2.169 5.499 -17.238 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.572 6.221 -17.262 1.00 0.00 H new ATOM 0 HG2 LYS B 14 1.626 8.111 -16.455 1.00 0.00 H new ATOM 0 HG3 LYS B 14 1.585 7.294 -14.906 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.881 7.816 -15.099 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.849 6.170 -15.699 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.736 6.997 -18.046 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.675 8.655 -17.481 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.930 8.021 -18.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.852 8.348 -16.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 5.911 6.742 -16.980 1.00 0.00 H new ATOM 1276 N VAL B 15 2.886 3.535 -15.233 1.00 0.00 N ATOM 1277 CA VAL B 15 4.053 3.014 -14.462 1.00 0.00 C ATOM 1278 C VAL B 15 5.297 3.841 -14.793 1.00 0.00 C ATOM 1279 O VAL B 15 5.648 4.019 -15.943 1.00 0.00 O ATOM 1280 CB VAL B 15 4.297 1.556 -14.853 1.00 0.00 C ATOM 1281 CG1 VAL B 15 5.562 1.042 -14.163 1.00 0.00 C ATOM 1282 CG2 VAL B 15 3.095 0.713 -14.425 1.00 0.00 C ATOM 0 H VAL B 15 2.758 3.121 -16.156 1.00 0.00 H new ATOM 0 HA VAL B 15 3.847 3.083 -13.394 1.00 0.00 H new ATOM 0 HB VAL B 15 4.427 1.483 -15.933 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.733 0.003 -14.444 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.415 1.646 -14.471 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.440 1.110 -13.082 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.264 -0.328 -14.701 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.966 0.785 -13.345 1.00 0.00 H new ATOM 0 HG23 VAL B 15 2.197 1.080 -14.923 1.00 0.00 H new ATOM 1292 N GLN B 16 5.968 4.347 -13.794 1.00 0.00 N ATOM 1293 CA GLN B 16 7.194 5.162 -14.053 1.00 0.00 C ATOM 1294 C GLN B 16 8.412 4.239 -14.119 1.00 0.00 C ATOM 1295 O GLN B 16 9.422 4.566 -14.711 1.00 0.00 O ATOM 1296 CB GLN B 16 7.375 6.178 -12.920 1.00 0.00 C ATOM 1297 CG GLN B 16 8.597 7.057 -13.200 1.00 0.00 C ATOM 1298 CD GLN B 16 8.735 8.094 -12.085 1.00 0.00 C ATOM 1299 OE1 GLN B 16 8.934 7.745 -10.938 1.00 0.00 O ATOM 1300 NE2 GLN B 16 8.628 9.362 -12.369 1.00 0.00 N ATOM 0 H GLN B 16 5.722 4.233 -12.811 1.00 0.00 H new ATOM 0 HA GLN B 16 7.091 5.691 -15.000 1.00 0.00 H new ATOM 0 HB2 GLN B 16 6.483 6.798 -12.830 1.00 0.00 H new ATOM 0 HB3 GLN B 16 7.500 5.658 -11.970 1.00 0.00 H new ATOM 0 HG2 GLN B 16 9.496 6.444 -13.256 1.00 0.00 H new ATOM 0 HG3 GLN B 16 8.490 7.554 -14.164 1.00 0.00 H new ATOM 0 HE21 GLN B 16 8.461 9.657 -13.331 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.711 10.059 -11.629 1.00 0.00 H new ATOM 1309 N SER B 17 8.325 3.086 -13.514 1.00 0.00 N ATOM 1310 CA SER B 17 9.476 2.140 -13.535 1.00 0.00 C ATOM 1311 C SER B 17 9.047 0.808 -12.921 1.00 0.00 C ATOM 1312 O SER B 17 8.084 0.737 -12.184 1.00 0.00 O ATOM 1313 CB SER B 17 10.629 2.718 -12.714 1.00 0.00 C ATOM 1314 OG SER B 17 11.753 1.856 -12.811 1.00 0.00 O ATOM 0 H SER B 17 7.504 2.758 -13.005 1.00 0.00 H new ATOM 0 HA SER B 17 9.799 1.987 -14.565 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.887 3.713 -13.078 1.00 0.00 H new ATOM 0 HB3 SER B 17 10.329 2.828 -11.672 1.00 0.00 H new ATOM 0 HG SER B 17 12.494 2.225 -12.287 1.00 0.00 H new ATOM 1320 N PHE B 18 9.758 -0.252 -13.206 1.00 0.00 N ATOM 1321 CA PHE B 18 9.390 -1.580 -12.624 1.00 0.00 C ATOM 1322 C PHE B 18 10.661 -2.400 -12.359 1.00 0.00 C ATOM 1323 O PHE B 18 11.248 -2.966 -13.258 1.00 0.00 O ATOM 1324 CB PHE B 18 8.468 -2.324 -13.615 1.00 0.00 C ATOM 1325 CG PHE B 18 8.555 -3.826 -13.404 1.00 0.00 C ATOM 1326 CD1 PHE B 18 8.477 -4.358 -12.114 1.00 0.00 C ATOM 1327 CD2 PHE B 18 8.736 -4.678 -14.499 1.00 0.00 C ATOM 1328 CE1 PHE B 18 8.579 -5.740 -11.916 1.00 0.00 C ATOM 1329 CE2 PHE B 18 8.834 -6.061 -14.303 1.00 0.00 C ATOM 1330 CZ PHE B 18 8.755 -6.592 -13.011 1.00 0.00 C ATOM 0 H PHE B 18 10.576 -0.257 -13.815 1.00 0.00 H new ATOM 0 HA PHE B 18 8.865 -1.439 -11.679 1.00 0.00 H new ATOM 0 HB2 PHE B 18 7.438 -1.992 -13.481 1.00 0.00 H new ATOM 0 HB3 PHE B 18 8.752 -2.078 -14.638 1.00 0.00 H new ATOM 0 HD1 PHE B 18 8.338 -3.701 -11.268 1.00 0.00 H new ATOM 0 HD2 PHE B 18 8.800 -4.269 -15.496 1.00 0.00 H new ATOM 0 HE1 PHE B 18 8.522 -6.148 -10.918 1.00 0.00 H new ATOM 0 HE2 PHE B 18 8.971 -6.718 -15.149 1.00 0.00 H new ATOM 0 HZ PHE B 18 8.830 -7.659 -12.859 1.00 0.00 H new ATOM 1340 N ASP B 19 11.057 -2.489 -11.117 1.00 0.00 N ATOM 1341 CA ASP B 19 12.260 -3.299 -10.747 1.00 0.00 C ATOM 1342 C ASP B 19 11.896 -4.132 -9.511 1.00 0.00 C ATOM 1343 O ASP B 19 11.074 -3.719 -8.719 1.00 0.00 O ATOM 1344 CB ASP B 19 13.448 -2.368 -10.428 1.00 0.00 C ATOM 1345 CG ASP B 19 13.311 -1.072 -11.226 1.00 0.00 C ATOM 1346 OD1 ASP B 19 13.026 -1.155 -12.408 1.00 0.00 O ATOM 1347 OD2 ASP B 19 13.491 -0.018 -10.639 1.00 0.00 O ATOM 0 H ASP B 19 10.594 -2.030 -10.332 1.00 0.00 H new ATOM 0 HA ASP B 19 12.552 -3.948 -11.572 1.00 0.00 H new ATOM 0 HB2 ASP B 19 13.475 -2.149 -9.361 1.00 0.00 H new ATOM 0 HB3 ASP B 19 14.387 -2.862 -10.676 1.00 0.00 H new ATOM 1352 N PRO B 20 12.486 -5.284 -9.329 1.00 0.00 N ATOM 1353 CA PRO B 20 12.180 -6.134 -8.149 1.00 0.00 C ATOM 1354 C PRO B 20 12.796 -5.549 -6.873 1.00 0.00 C ATOM 1355 O PRO B 20 12.526 -5.998 -5.778 1.00 0.00 O ATOM 1356 CB PRO B 20 12.800 -7.489 -8.507 1.00 0.00 C ATOM 1357 CG PRO B 20 13.933 -7.157 -9.425 1.00 0.00 C ATOM 1358 CD PRO B 20 13.503 -5.905 -10.202 1.00 0.00 C ATOM 0 HA PRO B 20 11.112 -6.207 -7.943 1.00 0.00 H new ATOM 0 HB2 PRO B 20 13.151 -8.011 -7.617 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.074 -8.141 -8.993 1.00 0.00 H new ATOM 0 HG2 PRO B 20 14.848 -6.971 -8.862 1.00 0.00 H new ATOM 0 HG3 PRO B 20 14.139 -7.985 -10.104 1.00 0.00 H new ATOM 0 HD2 PRO B 20 14.344 -5.234 -10.377 1.00 0.00 H new ATOM 0 HD3 PRO B 20 13.091 -6.161 -11.178 1.00 0.00 H new ATOM 1366 N LYS B 21 13.624 -4.541 -7.013 1.00 0.00 N ATOM 1367 CA LYS B 21 14.263 -3.917 -5.812 1.00 0.00 C ATOM 1368 C LYS B 21 13.504 -2.641 -5.436 1.00 0.00 C ATOM 1369 O LYS B 21 13.617 -2.141 -4.334 1.00 0.00 O ATOM 1370 CB LYS B 21 15.710 -3.559 -6.152 1.00 0.00 C ATOM 1371 CG LYS B 21 16.497 -4.846 -6.415 1.00 0.00 C ATOM 1372 CD LYS B 21 17.975 -4.525 -6.664 1.00 0.00 C ATOM 1373 CE LYS B 21 18.154 -3.828 -8.017 1.00 0.00 C ATOM 1374 NZ LYS B 21 19.594 -3.862 -8.396 1.00 0.00 N ATOM 0 H LYS B 21 13.884 -4.124 -7.907 1.00 0.00 H new ATOM 0 HA LYS B 21 14.237 -4.615 -4.975 1.00 0.00 H new ATOM 0 HB2 LYS B 21 15.741 -2.913 -7.030 1.00 0.00 H new ATOM 0 HB3 LYS B 21 16.162 -3.003 -5.331 1.00 0.00 H new ATOM 0 HG2 LYS B 21 16.403 -5.519 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS B 21 16.080 -5.365 -7.278 1.00 0.00 H new ATOM 0 HD2 LYS B 21 18.353 -3.886 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS B 21 18.561 -5.444 -6.641 1.00 0.00 H new ATOM 0 HE2 LYS B 21 17.553 -4.325 -8.778 1.00 0.00 H new ATOM 0 HE3 LYS B 21 17.805 -2.797 -7.958 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 19.723 -3.390 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 20.155 -3.370 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 19.911 -4.850 -8.467 1.00 0.00 H new ATOM 1388 N GLU B 22 12.716 -2.129 -6.339 1.00 0.00 N ATOM 1389 CA GLU B 22 11.926 -0.897 -6.052 1.00 0.00 C ATOM 1390 C GLU B 22 10.988 -0.633 -7.233 1.00 0.00 C ATOM 1391 O GLU B 22 11.420 -0.550 -8.366 1.00 0.00 O ATOM 1392 CB GLU B 22 12.870 0.297 -5.861 1.00 0.00 C ATOM 1393 CG GLU B 22 12.070 1.527 -5.410 1.00 0.00 C ATOM 1394 CD GLU B 22 11.385 2.165 -6.615 1.00 0.00 C ATOM 1395 OE1 GLU B 22 12.073 2.798 -7.398 1.00 0.00 O ATOM 1396 OE2 GLU B 22 10.187 2.004 -6.736 1.00 0.00 O ATOM 0 H GLU B 22 12.583 -2.515 -7.274 1.00 0.00 H new ATOM 0 HA GLU B 22 11.347 -1.033 -5.139 1.00 0.00 H new ATOM 0 HB2 GLU B 22 13.631 0.055 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU B 22 13.391 0.513 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU B 22 11.326 1.237 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU B 22 12.733 2.249 -4.932 1.00 0.00 H new ATOM 1403 N ILE B 23 9.705 -0.513 -6.981 1.00 0.00 N ATOM 1404 CA ILE B 23 8.724 -0.271 -8.094 1.00 0.00 C ATOM 1405 C ILE B 23 8.068 1.095 -7.903 1.00 0.00 C ATOM 1406 O ILE B 23 7.573 1.414 -6.839 1.00 0.00 O ATOM 1407 CB ILE B 23 7.653 -1.364 -8.061 1.00 0.00 C ATOM 1408 CG1 ILE B 23 8.335 -2.722 -8.241 1.00 0.00 C ATOM 1409 CG2 ILE B 23 6.642 -1.135 -9.191 1.00 0.00 C ATOM 1410 CD1 ILE B 23 7.308 -3.848 -8.103 1.00 0.00 C ATOM 0 H ILE B 23 9.292 -0.572 -6.050 1.00 0.00 H new ATOM 0 HA ILE B 23 9.240 -0.292 -9.054 1.00 0.00 H new ATOM 0 HB ILE B 23 7.124 -1.338 -7.108 1.00 0.00 H new ATOM 0 HG12 ILE B 23 8.811 -2.772 -9.220 1.00 0.00 H new ATOM 0 HG13 ILE B 23 9.122 -2.844 -7.497 1.00 0.00 H new ATOM 0 HG21 ILE B 23 5.882 -1.916 -9.163 1.00 0.00 H new ATOM 0 HG22 ILE B 23 6.168 -0.162 -9.063 1.00 0.00 H new ATOM 0 HG23 ILE B 23 7.157 -1.164 -10.151 1.00 0.00 H new ATOM 0 HD11 ILE B 23 7.803 -4.810 -8.233 1.00 0.00 H new ATOM 0 HD12 ILE B 23 6.852 -3.805 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE B 23 6.536 -3.732 -8.864 1.00 0.00 H new ATOM 1422 N LEU B 24 8.065 1.904 -8.930 1.00 0.00 N ATOM 1423 CA LEU B 24 7.449 3.260 -8.830 1.00 0.00 C ATOM 1424 C LEU B 24 6.113 3.248 -9.569 1.00 0.00 C ATOM 1425 O LEU B 24 6.039 2.888 -10.727 1.00 0.00 O ATOM 1426 CB LEU B 24 8.378 4.284 -9.491 1.00 0.00 C ATOM 1427 CG LEU B 24 9.729 4.319 -8.763 1.00 0.00 C ATOM 1428 CD1 LEU B 24 10.699 5.199 -9.556 1.00 0.00 C ATOM 1429 CD2 LEU B 24 9.559 4.897 -7.347 1.00 0.00 C ATOM 0 H LEU B 24 8.466 1.681 -9.841 1.00 0.00 H new ATOM 0 HA LEU B 24 7.296 3.524 -7.784 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.528 4.027 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.918 5.272 -9.468 1.00 0.00 H new ATOM 0 HG LEU B 24 10.120 3.304 -8.684 1.00 0.00 H new ATOM 0 HD11 LEU B 24 11.662 5.230 -9.046 1.00 0.00 H new ATOM 0 HD12 LEU B 24 10.831 4.786 -10.556 1.00 0.00 H new ATOM 0 HD13 LEU B 24 10.296 6.209 -9.631 1.00 0.00 H new ATOM 0 HD21 LEU B 24 10.525 4.915 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU B 24 9.165 5.911 -7.413 1.00 0.00 H new ATOM 0 HD23 LEU B 24 8.866 4.274 -6.781 1.00 0.00 H new ATOM 1441 N LEU B 25 5.056 3.635 -8.901 1.00 0.00 N ATOM 1442 CA LEU B 25 3.706 3.648 -9.545 1.00 0.00 C ATOM 1443 C LEU B 25 3.100 5.046 -9.442 1.00 0.00 C ATOM 1444 O LEU B 25 2.921 5.582 -8.365 1.00 0.00 O ATOM 1445 CB LEU B 25 2.799 2.648 -8.822 1.00 0.00 C ATOM 1446 CG LEU B 25 3.411 1.245 -8.905 1.00 0.00 C ATOM 1447 CD1 LEU B 25 2.547 0.269 -8.105 1.00 0.00 C ATOM 1448 CD2 LEU B 25 3.488 0.786 -10.374 1.00 0.00 C ATOM 0 H LEU B 25 5.070 3.945 -7.929 1.00 0.00 H new ATOM 0 HA LEU B 25 3.800 3.373 -10.596 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.676 2.941 -7.779 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.807 2.650 -9.273 1.00 0.00 H new ATOM 0 HG LEU B 25 4.419 1.268 -8.490 1.00 0.00 H new ATOM 0 HD11 LEU B 25 2.979 -0.730 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU B 25 2.506 0.588 -7.064 1.00 0.00 H new ATOM 0 HD13 LEU B 25 1.539 0.252 -8.519 1.00 0.00 H new ATOM 0 HD21 LEU B 25 3.924 -0.212 -10.421 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.486 0.764 -10.801 1.00 0.00 H new ATOM 0 HD23 LEU B 25 4.109 1.480 -10.940 1.00 0.00 H new ATOM 1460 N GLU B 26 2.770 5.638 -10.558 1.00 0.00 N ATOM 1461 CA GLU B 26 2.158 6.997 -10.537 1.00 0.00 C ATOM 1462 C GLU B 26 0.640 6.842 -10.447 1.00 0.00 C ATOM 1463 O GLU B 26 -0.001 6.396 -11.386 1.00 0.00 O ATOM 1464 CB GLU B 26 2.521 7.741 -11.823 1.00 0.00 C ATOM 1465 CG GLU B 26 1.883 9.136 -11.815 1.00 0.00 C ATOM 1466 CD GLU B 26 2.282 9.884 -13.087 1.00 0.00 C ATOM 1467 OE1 GLU B 26 3.305 9.544 -13.654 1.00 0.00 O ATOM 1468 OE2 GLU B 26 1.546 10.773 -13.483 1.00 0.00 O ATOM 0 H GLU B 26 2.899 5.237 -11.487 1.00 0.00 H new ATOM 0 HA GLU B 26 2.529 7.563 -9.682 1.00 0.00 H new ATOM 0 HB2 GLU B 26 3.604 7.827 -11.911 1.00 0.00 H new ATOM 0 HB3 GLU B 26 2.175 7.178 -12.690 1.00 0.00 H new ATOM 0 HG2 GLU B 26 0.798 9.051 -11.755 1.00 0.00 H new ATOM 0 HG3 GLU B 26 2.209 9.692 -10.936 1.00 0.00 H new ATOM 1475 N THR B 27 0.066 7.205 -9.323 1.00 0.00 N ATOM 1476 CA THR B 27 -1.417 7.082 -9.144 1.00 0.00 C ATOM 1477 C THR B 27 -2.008 8.440 -8.756 1.00 0.00 C ATOM 1478 O THR B 27 -1.376 9.248 -8.104 1.00 0.00 O ATOM 1479 CB THR B 27 -1.706 6.064 -8.036 1.00 0.00 C ATOM 1480 OG1 THR B 27 -3.104 6.020 -7.792 1.00 0.00 O ATOM 1481 CG2 THR B 27 -0.972 6.471 -6.757 1.00 0.00 C ATOM 0 H THR B 27 0.564 7.583 -8.518 1.00 0.00 H new ATOM 0 HA THR B 27 -1.869 6.750 -10.078 1.00 0.00 H new ATOM 0 HB THR B 27 -1.360 5.079 -8.348 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.532 5.429 -8.446 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.180 5.745 -5.971 1.00 0.00 H new ATOM 0 HG22 THR B 27 0.101 6.502 -6.947 1.00 0.00 H new ATOM 0 HG23 THR B 27 -1.313 7.456 -6.440 1.00 0.00 H new ATOM 1489 N ILE B 28 -3.230 8.681 -9.157 1.00 0.00 N ATOM 1490 CA ILE B 28 -3.909 9.972 -8.839 1.00 0.00 C ATOM 1491 C ILE B 28 -3.018 11.151 -9.255 1.00 0.00 C ATOM 1492 O ILE B 28 -3.218 11.758 -10.290 1.00 0.00 O ATOM 1493 CB ILE B 28 -4.216 10.056 -7.332 1.00 0.00 C ATOM 1494 CG1 ILE B 28 -4.702 8.694 -6.822 1.00 0.00 C ATOM 1495 CG2 ILE B 28 -5.305 11.103 -7.089 1.00 0.00 C ATOM 1496 CD1 ILE B 28 -5.800 8.143 -7.733 1.00 0.00 C ATOM 0 H ILE B 28 -3.794 8.027 -9.700 1.00 0.00 H new ATOM 0 HA ILE B 28 -4.846 10.019 -9.393 1.00 0.00 H new ATOM 0 HB ILE B 28 -3.308 10.339 -6.799 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -3.867 7.994 -6.784 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -5.081 8.794 -5.805 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -5.522 11.162 -6.022 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -4.961 12.075 -7.444 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -6.209 10.819 -7.628 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -6.134 7.176 -7.357 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -6.641 8.836 -7.749 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -5.409 8.024 -8.743 1.00 0.00 H new ATOM 1508 N GLN B 29 -2.048 11.487 -8.452 1.00 0.00 N ATOM 1509 CA GLN B 29 -1.152 12.630 -8.782 1.00 0.00 C ATOM 1510 C GLN B 29 0.227 12.412 -8.143 1.00 0.00 C ATOM 1511 O GLN B 29 1.212 12.989 -8.557 1.00 0.00 O ATOM 1512 CB GLN B 29 -1.765 13.913 -8.216 1.00 0.00 C ATOM 1513 CG GLN B 29 -2.233 13.653 -6.780 1.00 0.00 C ATOM 1514 CD GLN B 29 -2.782 14.942 -6.172 1.00 0.00 C ATOM 1515 OE1 GLN B 29 -2.324 16.022 -6.489 1.00 0.00 O ATOM 1516 NE2 GLN B 29 -3.755 14.873 -5.305 1.00 0.00 N ATOM 0 H GLN B 29 -1.836 11.014 -7.573 1.00 0.00 H new ATOM 0 HA GLN B 29 -1.040 12.706 -9.864 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -1.032 14.719 -8.233 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -2.605 14.233 -8.833 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -3.002 12.881 -6.773 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -1.403 13.282 -6.179 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -4.138 13.966 -5.040 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -4.132 15.726 -4.893 1.00 0.00 H new ATOM 1525 N GLY B 30 0.302 11.593 -7.125 1.00 0.00 N ATOM 1526 CA GLY B 30 1.610 11.348 -6.446 1.00 0.00 C ATOM 1527 C GLY B 30 2.249 10.070 -6.987 1.00 0.00 C ATOM 1528 O GLY B 30 1.685 9.379 -7.813 1.00 0.00 O ATOM 0 H GLY B 30 -0.489 11.082 -6.734 1.00 0.00 H new ATOM 0 HA2 GLY B 30 2.277 12.195 -6.608 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.460 11.262 -5.370 1.00 0.00 H new ATOM 1532 N VAL B 31 3.427 9.754 -6.509 1.00 0.00 N ATOM 1533 CA VAL B 31 4.143 8.519 -6.960 1.00 0.00 C ATOM 1534 C VAL B 31 4.380 7.617 -5.747 1.00 0.00 C ATOM 1535 O VAL B 31 4.836 8.061 -4.712 1.00 0.00 O ATOM 1536 CB VAL B 31 5.488 8.912 -7.588 1.00 0.00 C ATOM 1537 CG1 VAL B 31 6.360 7.664 -7.788 1.00 0.00 C ATOM 1538 CG2 VAL B 31 5.242 9.577 -8.947 1.00 0.00 C ATOM 0 H VAL B 31 3.930 10.307 -5.815 1.00 0.00 H new ATOM 0 HA VAL B 31 3.545 7.988 -7.701 1.00 0.00 H new ATOM 0 HB VAL B 31 6.001 9.607 -6.923 1.00 0.00 H new ATOM 0 HG11 VAL B 31 7.312 7.953 -8.234 1.00 0.00 H new ATOM 0 HG12 VAL B 31 6.540 7.188 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL B 31 5.848 6.964 -8.448 1.00 0.00 H new ATOM 0 HG21 VAL B 31 6.196 9.856 -9.393 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.724 8.879 -9.605 1.00 0.00 H new ATOM 0 HG23 VAL B 31 4.631 10.469 -8.810 1.00 0.00 H new ATOM 1548 N LEU B 32 4.074 6.348 -5.870 1.00 0.00 N ATOM 1549 CA LEU B 32 4.275 5.396 -4.733 1.00 0.00 C ATOM 1550 C LEU B 32 5.485 4.516 -5.019 1.00 0.00 C ATOM 1551 O LEU B 32 5.588 3.902 -6.063 1.00 0.00 O ATOM 1552 CB LEU B 32 3.028 4.519 -4.573 1.00 0.00 C ATOM 1553 CG LEU B 32 3.254 3.459 -3.484 1.00 0.00 C ATOM 1554 CD1 LEU B 32 3.677 4.125 -2.164 1.00 0.00 C ATOM 1555 CD2 LEU B 32 1.948 2.683 -3.274 1.00 0.00 C ATOM 0 H LEU B 32 3.690 5.928 -6.717 1.00 0.00 H new ATOM 0 HA LEU B 32 4.442 5.956 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU B 32 2.170 5.139 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU B 32 2.794 4.032 -5.520 1.00 0.00 H new ATOM 0 HG LEU B 32 4.048 2.782 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.833 3.360 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.603 4.679 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU B 32 2.895 4.809 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU B 32 2.094 1.927 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU B 32 1.162 3.371 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.658 2.199 -4.207 1.00 0.00 H new ATOM 1567 N SER B 33 6.399 4.450 -4.086 1.00 0.00 N ATOM 1568 CA SER B 33 7.620 3.610 -4.265 1.00 0.00 C ATOM 1569 C SER B 33 7.594 2.473 -3.245 1.00 0.00 C ATOM 1570 O SER B 33 7.579 2.701 -2.051 1.00 0.00 O ATOM 1571 CB SER B 33 8.860 4.472 -4.030 1.00 0.00 C ATOM 1572 OG SER B 33 10.027 3.689 -4.250 1.00 0.00 O ATOM 0 H SER B 33 6.350 4.948 -3.197 1.00 0.00 H new ATOM 0 HA SER B 33 7.645 3.200 -5.275 1.00 0.00 H new ATOM 0 HB2 SER B 33 8.853 5.330 -4.702 1.00 0.00 H new ATOM 0 HB3 SER B 33 8.857 4.863 -3.013 1.00 0.00 H new ATOM 0 HG SER B 33 10.824 4.240 -4.102 1.00 0.00 H new ATOM 1578 N ILE B 34 7.597 1.251 -3.710 1.00 0.00 N ATOM 1579 CA ILE B 34 7.580 0.080 -2.782 1.00 0.00 C ATOM 1580 C ILE B 34 8.959 -0.573 -2.793 1.00 0.00 C ATOM 1581 O ILE B 34 9.455 -0.961 -3.827 1.00 0.00 O ATOM 1582 CB ILE B 34 6.528 -0.921 -3.261 1.00 0.00 C ATOM 1583 CG1 ILE B 34 5.150 -0.253 -3.233 1.00 0.00 C ATOM 1584 CG2 ILE B 34 6.525 -2.146 -2.342 1.00 0.00 C ATOM 1585 CD1 ILE B 34 4.146 -1.110 -4.006 1.00 0.00 C ATOM 0 H ILE B 34 7.611 1.012 -4.701 1.00 0.00 H new ATOM 0 HA ILE B 34 7.336 0.401 -1.770 1.00 0.00 H new ATOM 0 HB ILE B 34 6.761 -1.238 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE B 34 4.817 -0.126 -2.203 1.00 0.00 H new ATOM 0 HG13 ILE B 34 5.209 0.742 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE B 34 5.774 -2.857 -2.686 1.00 0.00 H new ATOM 0 HG22 ILE B 34 7.507 -2.618 -2.361 1.00 0.00 H new ATOM 0 HG23 ILE B 34 6.291 -1.836 -1.323 1.00 0.00 H new ATOM 0 HD11 ILE B 34 3.167 -0.632 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE B 34 4.476 -1.214 -5.040 1.00 0.00 H new ATOM 0 HD13 ILE B 34 4.079 -2.096 -3.546 1.00 0.00 H new ATOM 1597 N LYS B 35 9.580 -0.693 -1.644 1.00 0.00 N ATOM 1598 CA LYS B 35 10.939 -1.316 -1.566 1.00 0.00 C ATOM 1599 C LYS B 35 10.857 -2.620 -0.776 1.00 0.00 C ATOM 1600 O LYS B 35 10.154 -2.721 0.212 1.00 0.00 O ATOM 1601 CB LYS B 35 11.892 -0.356 -0.850 1.00 0.00 C ATOM 1602 CG LYS B 35 12.154 0.866 -1.731 1.00 0.00 C ATOM 1603 CD LYS B 35 13.082 1.832 -0.991 1.00 0.00 C ATOM 1604 CE LYS B 35 13.314 3.075 -1.848 1.00 0.00 C ATOM 1605 NZ LYS B 35 14.104 2.702 -3.054 1.00 0.00 N ATOM 0 H LYS B 35 9.200 -0.383 -0.750 1.00 0.00 H new ATOM 0 HA LYS B 35 11.304 -1.520 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS B 35 11.462 -0.044 0.102 1.00 0.00 H new ATOM 0 HB3 LYS B 35 12.831 -0.862 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS B 35 12.607 0.559 -2.674 1.00 0.00 H new ATOM 0 HG3 LYS B 35 11.214 1.361 -1.975 1.00 0.00 H new ATOM 0 HD2 LYS B 35 12.642 2.114 -0.034 1.00 0.00 H new ATOM 0 HD3 LYS B 35 14.033 1.345 -0.774 1.00 0.00 H new ATOM 0 HE2 LYS B 35 12.359 3.509 -2.145 1.00 0.00 H new ATOM 0 HE3 LYS B 35 13.844 3.834 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 13.889 3.363 -3.828 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 15.119 2.747 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 13.856 1.735 -3.346 1.00 0.00 H new ATOM 1619 N GLY B 36 11.575 -3.619 -1.209 1.00 0.00 N ATOM 1620 CA GLY B 36 11.547 -4.926 -0.498 1.00 0.00 C ATOM 1621 C GLY B 36 12.212 -5.987 -1.372 1.00 0.00 C ATOM 1622 O GLY B 36 13.043 -5.681 -2.204 1.00 0.00 O ATOM 0 H GLY B 36 12.182 -3.585 -2.028 1.00 0.00 H new ATOM 0 HA2 GLY B 36 12.067 -4.846 0.456 1.00 0.00 H new ATOM 0 HA3 GLY B 36 10.518 -5.212 -0.277 1.00 0.00 H new ATOM 1626 N GLU B 37 11.855 -7.234 -1.191 1.00 0.00 N ATOM 1627 CA GLU B 37 12.464 -8.327 -2.011 1.00 0.00 C ATOM 1628 C GLU B 37 11.355 -9.216 -2.572 1.00 0.00 C ATOM 1629 O GLU B 37 10.309 -9.363 -1.979 1.00 0.00 O ATOM 1630 CB GLU B 37 13.395 -9.167 -1.134 1.00 0.00 C ATOM 1631 CG GLU B 37 14.504 -8.275 -0.572 1.00 0.00 C ATOM 1632 CD GLU B 37 15.602 -9.146 0.037 1.00 0.00 C ATOM 1633 OE1 GLU B 37 15.461 -9.534 1.184 1.00 0.00 O ATOM 1634 OE2 GLU B 37 16.571 -9.411 -0.659 1.00 0.00 O ATOM 0 H GLU B 37 11.164 -7.544 -0.507 1.00 0.00 H new ATOM 0 HA GLU B 37 13.035 -7.892 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU B 37 12.832 -9.623 -0.320 1.00 0.00 H new ATOM 0 HB3 GLU B 37 13.827 -9.980 -1.717 1.00 0.00 H new ATOM 0 HG2 GLU B 37 14.918 -7.650 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU B 37 14.097 -7.604 0.184 1.00 0.00 H new ATOM 1641 N LYS B 38 11.583 -9.798 -3.720 1.00 0.00 N ATOM 1642 CA LYS B 38 10.553 -10.676 -4.354 1.00 0.00 C ATOM 1643 C LYS B 38 9.299 -9.853 -4.653 1.00 0.00 C ATOM 1644 O LYS B 38 8.190 -10.253 -4.357 1.00 0.00 O ATOM 1645 CB LYS B 38 10.199 -11.839 -3.419 1.00 0.00 C ATOM 1646 CG LYS B 38 11.482 -12.508 -2.918 1.00 0.00 C ATOM 1647 CD LYS B 38 12.253 -13.113 -4.100 1.00 0.00 C ATOM 1648 CE LYS B 38 13.281 -14.127 -3.585 1.00 0.00 C ATOM 1649 NZ LYS B 38 12.599 -15.415 -3.277 1.00 0.00 N ATOM 0 H LYS B 38 12.448 -9.702 -4.252 1.00 0.00 H new ATOM 0 HA LYS B 38 10.953 -11.083 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS B 38 9.614 -11.474 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS B 38 9.580 -12.566 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS B 38 12.105 -11.778 -2.402 1.00 0.00 H new ATOM 0 HG3 LYS B 38 11.238 -13.287 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS B 38 11.561 -13.600 -4.787 1.00 0.00 H new ATOM 0 HD3 LYS B 38 12.755 -12.324 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.058 -14.285 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS B 38 13.772 -13.741 -2.692 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 13.061 -15.866 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 11.600 -15.234 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 12.659 -16.046 -4.102 1.00 0.00 H new ATOM 1663 N LEU B 39 9.475 -8.708 -5.255 1.00 0.00 N ATOM 1664 CA LEU B 39 8.310 -7.840 -5.607 1.00 0.00 C ATOM 1665 C LEU B 39 7.862 -8.191 -7.026 1.00 0.00 C ATOM 1666 O LEU B 39 8.087 -7.450 -7.962 1.00 0.00 O ATOM 1667 CB LEU B 39 8.738 -6.364 -5.548 1.00 0.00 C ATOM 1668 CG LEU B 39 8.700 -5.875 -4.098 1.00 0.00 C ATOM 1669 CD1 LEU B 39 9.591 -6.769 -3.241 1.00 0.00 C ATOM 1670 CD2 LEU B 39 9.205 -4.431 -4.028 1.00 0.00 C ATOM 0 H LEU B 39 10.385 -8.332 -5.521 1.00 0.00 H new ATOM 0 HA LEU B 39 7.491 -8.000 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU B 39 9.743 -6.250 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU B 39 8.074 -5.758 -6.164 1.00 0.00 H new ATOM 0 HG LEU B 39 7.676 -5.916 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU B 39 9.566 -6.424 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU B 39 9.230 -7.796 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU B 39 10.615 -6.727 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU B 39 9.177 -4.085 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU B 39 10.229 -4.385 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU B 39 8.569 -3.793 -4.641 1.00 0.00 H new ATOM 1682 N GLY B 40 7.242 -9.326 -7.193 1.00 0.00 N ATOM 1683 CA GLY B 40 6.795 -9.733 -8.556 1.00 0.00 C ATOM 1684 C GLY B 40 5.510 -8.986 -8.931 1.00 0.00 C ATOM 1685 O GLY B 40 4.706 -8.655 -8.082 1.00 0.00 O ATOM 0 H GLY B 40 7.026 -9.988 -6.448 1.00 0.00 H new ATOM 0 HA2 GLY B 40 7.577 -9.516 -9.284 1.00 0.00 H new ATOM 0 HA3 GLY B 40 6.622 -10.809 -8.585 1.00 0.00 H new ATOM 1689 N LEU B 46 -4.195 -8.513 -18.918 1.00 0.00 N ATOM 1690 CA LEU B 46 -4.850 -7.688 -17.864 1.00 0.00 C ATOM 1691 C LEU B 46 -6.075 -7.000 -18.475 1.00 0.00 C ATOM 1692 O LEU B 46 -6.087 -5.806 -18.702 1.00 0.00 O ATOM 1693 CB LEU B 46 -3.858 -6.633 -17.315 1.00 0.00 C ATOM 1694 CG LEU B 46 -3.116 -7.171 -16.078 1.00 0.00 C ATOM 1695 CD1 LEU B 46 -4.104 -7.452 -14.921 1.00 0.00 C ATOM 1696 CD2 LEU B 46 -2.367 -8.453 -16.461 1.00 0.00 C ATOM 0 HA LEU B 46 -5.159 -8.324 -17.035 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -3.138 -6.367 -18.089 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -4.397 -5.722 -17.054 1.00 0.00 H new ATOM 0 HG LEU B 46 -2.405 -6.419 -15.734 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.556 -7.831 -14.059 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -4.617 -6.530 -14.648 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -4.836 -8.193 -15.240 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -1.839 -8.840 -15.590 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -3.079 -9.199 -16.814 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -1.650 -8.233 -17.252 1.00 0.00 H new ATOM 1708 N LYS B 47 -7.105 -7.756 -18.736 1.00 0.00 N ATOM 1709 CA LYS B 47 -8.342 -7.172 -19.323 1.00 0.00 C ATOM 1710 C LYS B 47 -9.012 -6.258 -18.297 1.00 0.00 C ATOM 1711 O LYS B 47 -9.617 -5.258 -18.637 1.00 0.00 O ATOM 1712 CB LYS B 47 -9.300 -8.301 -19.714 1.00 0.00 C ATOM 1713 CG LYS B 47 -9.662 -9.130 -18.478 1.00 0.00 C ATOM 1714 CD LYS B 47 -10.580 -10.279 -18.889 1.00 0.00 C ATOM 1715 CE LYS B 47 -10.939 -11.114 -17.661 1.00 0.00 C ATOM 1716 NZ LYS B 47 -11.852 -12.218 -18.069 1.00 0.00 N ATOM 0 H LYS B 47 -7.142 -8.761 -18.566 1.00 0.00 H new ATOM 0 HA LYS B 47 -8.087 -6.591 -20.209 1.00 0.00 H new ATOM 0 HB2 LYS B 47 -10.203 -7.885 -20.161 1.00 0.00 H new ATOM 0 HB3 LYS B 47 -8.837 -8.938 -20.467 1.00 0.00 H new ATOM 0 HG2 LYS B 47 -8.758 -9.521 -18.011 1.00 0.00 H new ATOM 0 HG3 LYS B 47 -10.157 -8.502 -17.737 1.00 0.00 H new ATOM 0 HD2 LYS B 47 -11.486 -9.886 -19.351 1.00 0.00 H new ATOM 0 HD3 LYS B 47 -10.087 -10.903 -19.634 1.00 0.00 H new ATOM 0 HE2 LYS B 47 -10.036 -11.522 -17.207 1.00 0.00 H new ATOM 0 HE3 LYS B 47 -11.419 -10.488 -16.909 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 -12.099 -12.790 -17.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 -12.718 -11.817 -18.484 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 -11.377 -12.819 -18.773 1.00 0.00 H new ATOM 1730 N ALA B 48 -8.908 -6.593 -17.042 1.00 0.00 N ATOM 1731 CA ALA B 48 -9.537 -5.746 -15.990 1.00 0.00 C ATOM 1732 C ALA B 48 -8.599 -4.584 -15.665 1.00 0.00 C ATOM 1733 O ALA B 48 -8.911 -3.718 -14.874 1.00 0.00 O ATOM 1734 CB ALA B 48 -9.782 -6.582 -14.729 1.00 0.00 C ATOM 0 H ALA B 48 -8.415 -7.417 -16.698 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.491 -5.361 -16.349 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -10.242 -5.958 -13.963 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.446 -7.413 -14.967 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -8.833 -6.970 -14.359 1.00 0.00 H new ATOM 1740 N GLY B 49 -7.452 -4.552 -16.282 1.00 0.00 N ATOM 1741 CA GLY B 49 -6.494 -3.439 -16.027 1.00 0.00 C ATOM 1742 C GLY B 49 -6.288 -3.248 -14.520 1.00 0.00 C ATOM 1743 O GLY B 49 -6.743 -2.281 -13.941 1.00 0.00 O ATOM 0 H GLY B 49 -7.135 -5.250 -16.954 1.00 0.00 H new ATOM 0 HA2 GLY B 49 -5.539 -3.655 -16.507 1.00 0.00 H new ATOM 0 HA3 GLY B 49 -6.872 -2.517 -16.469 1.00 0.00 H new ATOM 1747 N GLN B 50 -5.597 -4.157 -13.883 1.00 0.00 N ATOM 1748 CA GLN B 50 -5.339 -4.032 -12.413 1.00 0.00 C ATOM 1749 C GLN B 50 -3.893 -4.429 -12.134 1.00 0.00 C ATOM 1750 O GLN B 50 -3.272 -5.112 -12.925 1.00 0.00 O ATOM 1751 CB GLN B 50 -6.278 -4.958 -11.638 1.00 0.00 C ATOM 1752 CG GLN B 50 -7.714 -4.451 -11.765 1.00 0.00 C ATOM 1753 CD GLN B 50 -8.650 -5.375 -10.986 1.00 0.00 C ATOM 1754 OE1 GLN B 50 -8.207 -6.298 -10.333 1.00 0.00 O ATOM 1755 NE2 GLN B 50 -9.935 -5.161 -11.025 1.00 0.00 N ATOM 0 H GLN B 50 -5.196 -4.987 -14.319 1.00 0.00 H new ATOM 0 HA GLN B 50 -5.514 -3.004 -12.097 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -6.204 -5.974 -12.025 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -5.985 -4.994 -10.589 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -7.787 -3.433 -11.381 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -8.008 -4.418 -12.814 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -10.306 -4.386 -11.574 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -10.569 -5.769 -10.507 1.00 0.00 H new ATOM 1764 N VAL B 51 -3.344 -4.004 -11.018 1.00 0.00 N ATOM 1765 CA VAL B 51 -1.925 -4.352 -10.690 1.00 0.00 C ATOM 1766 C VAL B 51 -1.856 -4.999 -9.309 1.00 0.00 C ATOM 1767 O VAL B 51 -2.399 -4.498 -8.342 1.00 0.00 O ATOM 1768 CB VAL B 51 -1.071 -3.082 -10.702 1.00 0.00 C ATOM 1769 CG1 VAL B 51 -0.860 -2.624 -12.146 1.00 0.00 C ATOM 1770 CG2 VAL B 51 -1.780 -1.976 -9.914 1.00 0.00 C ATOM 0 H VAL B 51 -3.819 -3.431 -10.321 1.00 0.00 H new ATOM 0 HA VAL B 51 -1.547 -5.053 -11.434 1.00 0.00 H new ATOM 0 HB VAL B 51 -0.106 -3.291 -10.241 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -0.252 -1.719 -12.156 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -0.352 -3.409 -12.706 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -1.826 -2.417 -12.607 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -1.169 -1.073 -9.924 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -2.747 -1.766 -10.372 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -1.929 -2.301 -8.884 1.00 0.00 H new ATOM 1780 N GLU B 52 -1.175 -6.111 -9.215 1.00 0.00 N ATOM 1781 CA GLU B 52 -1.033 -6.823 -7.912 1.00 0.00 C ATOM 1782 C GLU B 52 0.444 -7.143 -7.685 1.00 0.00 C ATOM 1783 O GLU B 52 1.099 -7.728 -8.525 1.00 0.00 O ATOM 1784 CB GLU B 52 -1.865 -8.109 -7.946 1.00 0.00 C ATOM 1785 CG GLU B 52 -3.355 -7.746 -7.916 1.00 0.00 C ATOM 1786 CD GLU B 52 -4.198 -8.999 -8.161 1.00 0.00 C ATOM 1787 OE1 GLU B 52 -4.043 -9.950 -7.413 1.00 0.00 O ATOM 1788 OE2 GLU B 52 -4.986 -8.986 -9.093 1.00 0.00 O ATOM 0 H GLU B 52 -0.704 -6.562 -9.999 1.00 0.00 H new ATOM 0 HA GLU B 52 -1.392 -6.198 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -1.636 -8.681 -8.845 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -1.615 -8.741 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -3.612 -7.306 -6.953 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -3.572 -6.996 -8.677 1.00 0.00 H new ATOM 1795 N VAL B 53 0.971 -6.743 -6.554 1.00 0.00 N ATOM 1796 CA VAL B 53 2.415 -6.986 -6.244 1.00 0.00 C ATOM 1797 C VAL B 53 2.515 -7.904 -5.027 1.00 0.00 C ATOM 1798 O VAL B 53 1.794 -7.746 -4.062 1.00 0.00 O ATOM 1799 CB VAL B 53 3.087 -5.647 -5.930 1.00 0.00 C ATOM 1800 CG1 VAL B 53 4.510 -5.888 -5.410 1.00 0.00 C ATOM 1801 CG2 VAL B 53 3.138 -4.794 -7.199 1.00 0.00 C ATOM 0 H VAL B 53 0.456 -6.252 -5.823 1.00 0.00 H new ATOM 0 HA VAL B 53 2.908 -7.454 -7.096 1.00 0.00 H new ATOM 0 HB VAL B 53 2.513 -5.125 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL B 53 4.983 -4.931 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL B 53 4.469 -6.491 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL B 53 5.091 -6.413 -6.169 1.00 0.00 H new ATOM 0 HG21 VAL B 53 3.616 -3.840 -6.977 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.709 -5.317 -7.966 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.125 -4.617 -7.559 1.00 0.00 H new ATOM 1811 N GLU B 54 3.394 -8.876 -5.075 1.00 0.00 N ATOM 1812 CA GLU B 54 3.541 -9.832 -3.931 1.00 0.00 C ATOM 1813 C GLU B 54 4.995 -9.807 -3.451 1.00 0.00 C ATOM 1814 O GLU B 54 5.914 -9.661 -4.237 1.00 0.00 O ATOM 1815 CB GLU B 54 3.188 -11.245 -4.405 1.00 0.00 C ATOM 1816 CG GLU B 54 1.868 -11.220 -5.187 1.00 0.00 C ATOM 1817 CD GLU B 54 1.604 -12.609 -5.770 1.00 0.00 C ATOM 1818 OE1 GLU B 54 2.433 -13.071 -6.537 1.00 0.00 O ATOM 1819 OE2 GLU B 54 0.577 -13.180 -5.449 1.00 0.00 O ATOM 0 H GLU B 54 4.020 -9.049 -5.862 1.00 0.00 H new ATOM 0 HA GLU B 54 2.876 -9.545 -3.117 1.00 0.00 H new ATOM 0 HB2 GLU B 54 3.987 -11.636 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU B 54 3.101 -11.914 -3.549 1.00 0.00 H new ATOM 0 HG2 GLU B 54 1.048 -10.926 -4.532 1.00 0.00 H new ATOM 0 HG3 GLU B 54 1.919 -10.480 -5.986 1.00 0.00 H new ATOM 1826 N GLY B 55 5.212 -9.944 -2.164 1.00 0.00 N ATOM 1827 CA GLY B 55 6.604 -9.922 -1.625 1.00 0.00 C ATOM 1828 C GLY B 55 6.589 -9.360 -0.199 1.00 0.00 C ATOM 1829 O GLY B 55 5.559 -8.968 0.316 1.00 0.00 O ATOM 0 H GLY B 55 4.481 -10.070 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY B 55 7.022 -10.929 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY B 55 7.243 -9.310 -2.262 1.00 0.00 H new ATOM 1833 N LEU B 56 7.726 -9.318 0.447 1.00 0.00 N ATOM 1834 CA LEU B 56 7.786 -8.786 1.841 1.00 0.00 C ATOM 1835 C LEU B 56 8.056 -7.277 1.796 1.00 0.00 C ATOM 1836 O LEU B 56 8.782 -6.793 0.951 1.00 0.00 O ATOM 1837 CB LEU B 56 8.919 -9.491 2.612 1.00 0.00 C ATOM 1838 CG LEU B 56 10.105 -9.799 1.662 1.00 0.00 C ATOM 1839 CD1 LEU B 56 11.425 -9.734 2.439 1.00 0.00 C ATOM 1840 CD2 LEU B 56 9.955 -11.205 1.057 1.00 0.00 C ATOM 0 H LEU B 56 8.619 -9.631 0.067 1.00 0.00 H new ATOM 0 HA LEU B 56 6.837 -8.971 2.345 1.00 0.00 H new ATOM 0 HB2 LEU B 56 9.257 -8.859 3.434 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.547 -10.416 3.053 1.00 0.00 H new ATOM 0 HG LEU B 56 10.107 -9.058 0.863 1.00 0.00 H new ATOM 0 HD11 LEU B 56 12.254 -9.951 1.766 1.00 0.00 H new ATOM 0 HD12 LEU B 56 11.551 -8.736 2.860 1.00 0.00 H new ATOM 0 HD13 LEU B 56 11.410 -10.468 3.245 1.00 0.00 H new ATOM 0 HD21 LEU B 56 10.795 -11.407 0.392 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.939 -11.945 1.857 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.024 -11.261 0.492 1.00 0.00 H new ATOM 1852 N ILE B 57 7.475 -6.532 2.701 1.00 0.00 N ATOM 1853 CA ILE B 57 7.695 -5.054 2.712 1.00 0.00 C ATOM 1854 C ILE B 57 8.846 -4.711 3.657 1.00 0.00 C ATOM 1855 O ILE B 57 8.743 -4.866 4.857 1.00 0.00 O ATOM 1856 CB ILE B 57 6.422 -4.361 3.210 1.00 0.00 C ATOM 1857 CG1 ILE B 57 5.220 -4.828 2.376 1.00 0.00 C ATOM 1858 CG2 ILE B 57 6.584 -2.847 3.093 1.00 0.00 C ATOM 1859 CD1 ILE B 57 5.492 -4.634 0.878 1.00 0.00 C ATOM 0 H ILE B 57 6.858 -6.883 3.433 1.00 0.00 H new ATOM 0 HA ILE B 57 7.937 -4.717 1.704 1.00 0.00 H new ATOM 0 HB ILE B 57 6.252 -4.621 4.255 1.00 0.00 H new ATOM 0 HG12 ILE B 57 5.015 -5.879 2.581 1.00 0.00 H new ATOM 0 HG13 ILE B 57 4.331 -4.268 2.665 1.00 0.00 H new ATOM 0 HG21 ILE B 57 5.678 -2.356 3.448 1.00 0.00 H new ATOM 0 HG22 ILE B 57 7.432 -2.524 3.697 1.00 0.00 H new ATOM 0 HG23 ILE B 57 6.758 -2.579 2.051 1.00 0.00 H new ATOM 0 HD11 ILE B 57 4.628 -4.971 0.305 1.00 0.00 H new ATOM 0 HD12 ILE B 57 5.673 -3.579 0.675 1.00 0.00 H new ATOM 0 HD13 ILE B 57 6.368 -5.215 0.589 1.00 0.00 H new ATOM 1871 N ASP B 58 9.942 -4.235 3.124 1.00 0.00 N ATOM 1872 CA ASP B 58 11.107 -3.866 3.986 1.00 0.00 C ATOM 1873 C ASP B 58 11.133 -2.349 4.176 1.00 0.00 C ATOM 1874 O ASP B 58 11.721 -1.840 5.112 1.00 0.00 O ATOM 1875 CB ASP B 58 12.402 -4.326 3.316 1.00 0.00 C ATOM 1876 CG ASP B 58 12.287 -5.815 2.983 1.00 0.00 C ATOM 1877 OD1 ASP B 58 11.502 -6.485 3.633 1.00 0.00 O ATOM 1878 OD2 ASP B 58 12.979 -6.260 2.081 1.00 0.00 O ATOM 0 H ASP B 58 10.081 -4.085 2.125 1.00 0.00 H new ATOM 0 HA ASP B 58 11.014 -4.351 4.958 1.00 0.00 H new ATOM 0 HB2 ASP B 58 12.582 -3.750 2.408 1.00 0.00 H new ATOM 0 HB3 ASP B 58 13.251 -4.152 3.977 1.00 0.00 H new ATOM 1883 N ALA B 59 10.505 -1.620 3.294 1.00 0.00 N ATOM 1884 CA ALA B 59 10.503 -0.135 3.427 1.00 0.00 C ATOM 1885 C ALA B 59 9.453 0.469 2.483 1.00 0.00 C ATOM 1886 O ALA B 59 9.128 -0.093 1.455 1.00 0.00 O ATOM 1887 CB ALA B 59 11.896 0.400 3.072 1.00 0.00 C ATOM 0 H ALA B 59 9.995 -1.986 2.490 1.00 0.00 H new ATOM 0 HA ALA B 59 10.256 0.143 4.451 1.00 0.00 H new ATOM 0 HB1 ALA B 59 11.904 1.486 3.167 1.00 0.00 H new ATOM 0 HB2 ALA B 59 12.634 -0.029 3.750 1.00 0.00 H new ATOM 0 HB3 ALA B 59 12.142 0.123 2.047 1.00 0.00 H new ATOM 1893 N LEU B 60 8.928 1.621 2.831 1.00 0.00 N ATOM 1894 CA LEU B 60 7.902 2.299 1.971 1.00 0.00 C ATOM 1895 C LEU B 60 8.264 3.782 1.865 1.00 0.00 C ATOM 1896 O LEU B 60 8.562 4.425 2.853 1.00 0.00 O ATOM 1897 CB LEU B 60 6.494 2.138 2.609 1.00 0.00 C ATOM 1898 CG LEU B 60 5.575 1.285 1.709 1.00 0.00 C ATOM 1899 CD1 LEU B 60 5.309 2.013 0.371 1.00 0.00 C ATOM 1900 CD2 LEU B 60 6.222 -0.095 1.452 1.00 0.00 C ATOM 0 H LEU B 60 9.169 2.126 3.684 1.00 0.00 H new ATOM 0 HA LEU B 60 7.886 1.850 0.978 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.586 1.670 3.589 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.047 3.120 2.765 1.00 0.00 H new ATOM 0 HG LEU B 60 4.622 1.137 2.217 1.00 0.00 H new ATOM 0 HD11 LEU B 60 4.660 1.400 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU B 60 4.826 2.970 0.567 1.00 0.00 H new ATOM 0 HD13 LEU B 60 6.254 2.183 -0.145 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.567 -0.691 0.816 1.00 0.00 H new ATOM 0 HD22 LEU B 60 7.184 0.041 0.957 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.372 -0.609 2.401 1.00 0.00 H new ATOM 1912 N VAL B 61 8.242 4.326 0.675 1.00 0.00 N ATOM 1913 CA VAL B 61 8.585 5.768 0.498 1.00 0.00 C ATOM 1914 C VAL B 61 7.569 6.438 -0.434 1.00 0.00 C ATOM 1915 O VAL B 61 7.338 6.000 -1.544 1.00 0.00 O ATOM 1916 CB VAL B 61 9.986 5.866 -0.111 1.00 0.00 C ATOM 1917 CG1 VAL B 61 10.280 7.310 -0.529 1.00 0.00 C ATOM 1918 CG2 VAL B 61 11.016 5.414 0.927 1.00 0.00 C ATOM 0 H VAL B 61 8.000 3.831 -0.184 1.00 0.00 H new ATOM 0 HA VAL B 61 8.560 6.274 1.463 1.00 0.00 H new ATOM 0 HB VAL B 61 10.041 5.226 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL B 61 11.279 7.368 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL B 61 9.546 7.631 -1.268 1.00 0.00 H new ATOM 0 HG13 VAL B 61 10.224 7.960 0.344 1.00 0.00 H new ATOM 0 HG21 VAL B 61 12.017 5.481 0.500 1.00 0.00 H new ATOM 0 HG22 VAL B 61 10.953 6.056 1.806 1.00 0.00 H new ATOM 0 HG23 VAL B 61 10.813 4.383 1.216 1.00 0.00 H new ATOM 1928 N TYR B 62 6.988 7.521 0.003 1.00 0.00 N ATOM 1929 CA TYR B 62 6.011 8.267 -0.845 1.00 0.00 C ATOM 1930 C TYR B 62 6.253 9.764 -0.602 1.00 0.00 C ATOM 1931 O TYR B 62 6.194 10.202 0.527 1.00 0.00 O ATOM 1932 CB TYR B 62 4.586 7.901 -0.420 1.00 0.00 C ATOM 1933 CG TYR B 62 3.593 8.813 -1.107 1.00 0.00 C ATOM 1934 CD1 TYR B 62 3.358 10.097 -0.603 1.00 0.00 C ATOM 1935 CD2 TYR B 62 2.904 8.372 -2.241 1.00 0.00 C ATOM 1936 CE1 TYR B 62 2.439 10.941 -1.236 1.00 0.00 C ATOM 1937 CE2 TYR B 62 1.984 9.215 -2.875 1.00 0.00 C ATOM 1938 CZ TYR B 62 1.750 10.499 -2.373 1.00 0.00 C ATOM 1939 OH TYR B 62 0.844 11.329 -2.997 1.00 0.00 O ATOM 0 H TYR B 62 7.150 7.928 0.924 1.00 0.00 H new ATOM 0 HA TYR B 62 6.136 8.019 -1.899 1.00 0.00 H new ATOM 0 HB2 TYR B 62 4.376 6.862 -0.676 1.00 0.00 H new ATOM 0 HB3 TYR B 62 4.486 7.989 0.662 1.00 0.00 H new ATOM 0 HD1 TYR B 62 3.886 10.437 0.275 1.00 0.00 H new ATOM 0 HD2 TYR B 62 3.082 7.380 -2.628 1.00 0.00 H new ATOM 0 HE1 TYR B 62 2.261 11.933 -0.848 1.00 0.00 H new ATOM 0 HE2 TYR B 62 1.455 8.874 -3.752 1.00 0.00 H new ATOM 0 HH TYR B 62 1.116 12.262 -2.872 1.00 0.00 H new ATOM 1949 N PRO B 63 6.545 10.558 -1.615 1.00 0.00 N ATOM 1950 CA PRO B 63 6.801 12.013 -1.408 1.00 0.00 C ATOM 1951 C PRO B 63 5.787 12.654 -0.453 1.00 0.00 C ATOM 1952 O PRO B 63 4.799 13.232 -0.862 1.00 0.00 O ATOM 1953 CB PRO B 63 6.698 12.617 -2.812 1.00 0.00 C ATOM 1954 CG PRO B 63 7.062 11.500 -3.743 1.00 0.00 C ATOM 1955 CD PRO B 63 6.671 10.187 -3.040 1.00 0.00 C ATOM 0 HA PRO B 63 7.771 12.189 -0.942 1.00 0.00 H new ATOM 0 HB2 PRO B 63 5.691 12.984 -3.011 1.00 0.00 H new ATOM 0 HB3 PRO B 63 7.375 13.464 -2.928 1.00 0.00 H new ATOM 0 HG2 PRO B 63 6.536 11.601 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO B 63 8.129 11.516 -3.967 1.00 0.00 H new ATOM 0 HD2 PRO B 63 5.735 9.790 -3.432 1.00 0.00 H new ATOM 0 HD3 PRO B 63 7.429 9.417 -3.185 1.00 0.00 H new ATOM 1963 N LEU B 64 6.040 12.557 0.821 1.00 0.00 N ATOM 1964 CA LEU B 64 5.124 13.156 1.833 1.00 0.00 C ATOM 1965 C LEU B 64 5.627 14.557 2.181 1.00 0.00 C ATOM 1966 O LEU B 64 5.318 15.106 3.221 1.00 0.00 O ATOM 1967 CB LEU B 64 5.088 12.270 3.093 1.00 0.00 C ATOM 1968 CG LEU B 64 6.392 12.384 3.908 1.00 0.00 C ATOM 1969 CD1 LEU B 64 6.352 11.389 5.069 1.00 0.00 C ATOM 1970 CD2 LEU B 64 7.607 12.066 3.029 1.00 0.00 C ATOM 0 H LEU B 64 6.854 12.082 1.211 1.00 0.00 H new ATOM 0 HA LEU B 64 4.113 13.222 1.430 1.00 0.00 H new ATOM 0 HB2 LEU B 64 4.242 12.559 3.717 1.00 0.00 H new ATOM 0 HB3 LEU B 64 4.930 11.231 2.803 1.00 0.00 H new ATOM 0 HG LEU B 64 6.479 13.404 4.283 1.00 0.00 H new ATOM 0 HD11 LEU B 64 7.273 11.467 5.647 1.00 0.00 H new ATOM 0 HD12 LEU B 64 5.500 11.613 5.711 1.00 0.00 H new ATOM 0 HD13 LEU B 64 6.255 10.377 4.677 1.00 0.00 H new ATOM 0 HD21 LEU B 64 8.518 12.152 3.622 1.00 0.00 H new ATOM 0 HD22 LEU B 64 7.520 11.051 2.642 1.00 0.00 H new ATOM 0 HD23 LEU B 64 7.648 12.769 2.197 1.00 0.00 H new ATOM 1982 N GLU B 65 6.414 15.136 1.310 1.00 0.00 N ATOM 1983 CA GLU B 65 6.964 16.504 1.573 1.00 0.00 C ATOM 1984 C GLU B 65 6.078 17.576 0.934 1.00 0.00 C ATOM 1985 O GLU B 65 5.875 17.603 -0.263 1.00 0.00 O ATOM 1986 CB GLU B 65 8.373 16.602 0.984 1.00 0.00 C ATOM 1987 CG GLU B 65 9.358 15.843 1.873 1.00 0.00 C ATOM 1988 CD GLU B 65 10.733 15.818 1.207 1.00 0.00 C ATOM 1989 OE1 GLU B 65 10.831 16.263 0.074 1.00 0.00 O ATOM 1990 OE2 GLU B 65 11.666 15.342 1.834 1.00 0.00 O ATOM 0 H GLU B 65 6.701 14.720 0.424 1.00 0.00 H new ATOM 0 HA GLU B 65 6.992 16.668 2.650 1.00 0.00 H new ATOM 0 HB2 GLU B 65 8.385 16.188 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU B 65 8.672 17.647 0.904 1.00 0.00 H new ATOM 0 HG2 GLU B 65 9.425 16.321 2.850 1.00 0.00 H new ATOM 0 HG3 GLU B 65 9.004 14.825 2.039 1.00 0.00 H new ATOM 1997 N HIS B 66 5.579 18.478 1.734 1.00 0.00 N ATOM 1998 CA HIS B 66 4.733 19.582 1.201 1.00 0.00 C ATOM 1999 C HIS B 66 4.487 20.594 2.323 1.00 0.00 C ATOM 2000 O HIS B 66 3.426 20.644 2.915 1.00 0.00 O ATOM 2001 CB HIS B 66 3.393 19.028 0.694 1.00 0.00 C ATOM 2002 CG HIS B 66 2.775 20.016 -0.266 1.00 0.00 C ATOM 2003 ND1 HIS B 66 3.295 21.291 -0.445 1.00 0.00 N ATOM 2004 CD2 HIS B 66 1.697 19.928 -1.112 1.00 0.00 C ATOM 2005 CE1 HIS B 66 2.536 21.913 -1.367 1.00 0.00 C ATOM 2006 NE2 HIS B 66 1.552 21.125 -1.804 1.00 0.00 N ATOM 0 H HIS B 66 5.723 18.497 2.744 1.00 0.00 H new ATOM 0 HA HIS B 66 5.243 20.065 0.367 1.00 0.00 H new ATOM 0 HB2 HIS B 66 3.547 18.070 0.198 1.00 0.00 H new ATOM 0 HB3 HIS B 66 2.720 18.849 1.532 1.00 0.00 H new ATOM 0 HD2 HIS B 66 1.060 19.063 -1.223 1.00 0.00 H new ATOM 0 HE1 HIS B 66 2.703 22.923 -1.710 1.00 0.00 H new ATOM 0 HE2 HIS B 66 0.842 21.353 -2.500 1.00 0.00 H new ATOM 2014 N HIS B 67 5.468 21.402 2.620 1.00 0.00 N ATOM 2015 CA HIS B 67 5.319 22.416 3.704 1.00 0.00 C ATOM 2016 C HIS B 67 6.055 23.689 3.282 1.00 0.00 C ATOM 2017 O HIS B 67 7.106 23.631 2.676 1.00 0.00 O ATOM 2018 CB HIS B 67 5.925 21.865 5.001 1.00 0.00 C ATOM 2019 CG HIS B 67 6.026 22.963 6.026 1.00 0.00 C ATOM 2020 ND1 HIS B 67 5.250 24.110 5.961 1.00 0.00 N ATOM 2021 CD2 HIS B 67 6.814 23.106 7.141 1.00 0.00 C ATOM 2022 CE1 HIS B 67 5.586 24.887 7.007 1.00 0.00 C ATOM 2023 NE2 HIS B 67 6.533 24.321 7.755 1.00 0.00 N ATOM 0 H HIS B 67 6.375 21.403 2.154 1.00 0.00 H new ATOM 0 HA HIS B 67 4.266 22.639 3.873 1.00 0.00 H new ATOM 0 HB2 HIS B 67 5.308 21.053 5.385 1.00 0.00 H new ATOM 0 HB3 HIS B 67 6.913 21.448 4.803 1.00 0.00 H new ATOM 0 HD2 HIS B 67 7.540 22.386 7.488 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.143 25.850 7.215 1.00 0.00 H new ATOM 0 HE2 HIS B 67 6.961 24.700 8.600 1.00 0.00 H new ATOM 2031 N HIS B 68 5.506 24.838 3.585 1.00 0.00 N ATOM 2032 CA HIS B 68 6.170 26.117 3.183 1.00 0.00 C ATOM 2033 C HIS B 68 6.944 26.693 4.377 1.00 0.00 C ATOM 2034 O HIS B 68 6.369 27.161 5.338 1.00 0.00 O ATOM 2035 CB HIS B 68 5.087 27.116 2.718 1.00 0.00 C ATOM 2036 CG HIS B 68 5.592 27.922 1.549 1.00 0.00 C ATOM 2037 ND1 HIS B 68 4.812 28.150 0.424 1.00 0.00 N ATOM 2038 CD2 HIS B 68 6.800 28.522 1.298 1.00 0.00 C ATOM 2039 CE1 HIS B 68 5.553 28.856 -0.446 1.00 0.00 C ATOM 2040 NE2 HIS B 68 6.770 29.108 0.037 1.00 0.00 N ATOM 0 H HIS B 68 4.628 24.947 4.093 1.00 0.00 H new ATOM 0 HA HIS B 68 6.870 25.935 2.368 1.00 0.00 H new ATOM 0 HB2 HIS B 68 4.183 26.578 2.435 1.00 0.00 H new ATOM 0 HB3 HIS B 68 4.818 27.781 3.539 1.00 0.00 H new ATOM 0 HD2 HIS B 68 7.642 28.537 1.974 1.00 0.00 H new ATOM 0 HE1 HIS B 68 5.206 29.179 -1.416 1.00 0.00 H new ATOM 0 HE2 HIS B 68 7.521 29.623 -0.422 1.00 0.00 H new ATOM 2048 N HIS B 69 8.247 26.668 4.309 1.00 0.00 N ATOM 2049 CA HIS B 69 9.069 27.221 5.426 1.00 0.00 C ATOM 2050 C HIS B 69 8.862 28.741 5.497 1.00 0.00 C ATOM 2051 O HIS B 69 8.808 29.322 6.562 1.00 0.00 O ATOM 2052 CB HIS B 69 10.565 26.891 5.172 1.00 0.00 C ATOM 2053 CG HIS B 69 11.056 25.861 6.158 1.00 0.00 C ATOM 2054 ND1 HIS B 69 11.207 26.141 7.508 1.00 0.00 N ATOM 2055 CD2 HIS B 69 11.430 24.550 6.003 1.00 0.00 C ATOM 2056 CE1 HIS B 69 11.654 25.022 8.108 1.00 0.00 C ATOM 2057 NE2 HIS B 69 11.806 24.026 7.234 1.00 0.00 N ATOM 0 H HIS B 69 8.780 26.288 3.527 1.00 0.00 H new ATOM 0 HA HIS B 69 8.765 26.776 6.373 1.00 0.00 H new ATOM 0 HB2 HIS B 69 10.694 26.519 4.155 1.00 0.00 H new ATOM 0 HB3 HIS B 69 11.163 27.798 5.258 1.00 0.00 H new ATOM 0 HD2 HIS B 69 11.432 24.009 5.068 1.00 0.00 H new ATOM 0 HE1 HIS B 69 11.863 24.941 9.164 1.00 0.00 H new ATOM 0 HE2 HIS B 69 12.130 23.079 7.428 1.00 0.00 H new ATOM 2065 N HIS B 70 8.773 29.384 4.369 1.00 0.00 N ATOM 2066 CA HIS B 70 8.595 30.863 4.362 1.00 0.00 C ATOM 2067 C HIS B 70 7.405 31.254 5.243 1.00 0.00 C ATOM 2068 O HIS B 70 6.660 30.416 5.706 1.00 0.00 O ATOM 2069 CB HIS B 70 8.356 31.341 2.924 1.00 0.00 C ATOM 2070 CG HIS B 70 8.621 32.819 2.826 1.00 0.00 C ATOM 2071 ND1 HIS B 70 9.525 33.461 3.659 1.00 0.00 N ATOM 2072 CD2 HIS B 70 8.121 33.790 1.994 1.00 0.00 C ATOM 2073 CE1 HIS B 70 9.542 34.761 3.314 1.00 0.00 C ATOM 2074 NE2 HIS B 70 8.705 35.013 2.306 1.00 0.00 N ATOM 0 H HIS B 70 8.816 28.949 3.447 1.00 0.00 H new ATOM 0 HA HIS B 70 9.495 31.334 4.757 1.00 0.00 H new ATOM 0 HB2 HIS B 70 9.008 30.799 2.238 1.00 0.00 H new ATOM 0 HB3 HIS B 70 7.330 31.126 2.626 1.00 0.00 H new ATOM 0 HD2 HIS B 70 7.388 33.629 1.218 1.00 0.00 H new ATOM 0 HE1 HIS B 70 10.157 35.508 3.794 1.00 0.00 H new ATOM 0 HE2 HIS B 70 8.530 35.913 1.859 1.00 0.00 H new ATOM 2082 N HIS B 71 7.238 32.530 5.481 1.00 0.00 N ATOM 2083 CA HIS B 71 6.110 33.011 6.338 1.00 0.00 C ATOM 2084 C HIS B 71 4.830 32.238 6.010 1.00 0.00 C ATOM 2085 O HIS B 71 4.312 31.585 6.900 1.00 0.00 O ATOM 2086 CB HIS B 71 5.875 34.498 6.071 1.00 0.00 C ATOM 2087 CG HIS B 71 7.164 35.248 6.251 1.00 0.00 C ATOM 2088 ND1 HIS B 71 7.902 36.017 5.388 1.00 0.00 N flip ATOM 2089 CD2 HIS B 71 7.856 35.255 7.455 1.00 0.00 C flip ATOM 2090 CE1 HIS B 71 9.031 36.494 6.042 1.00 0.00 C flip ATOM 2091 NE2 HIS B 71 8.957 36.009 7.283 1.00 0.00 N flip ATOM 2092 OXT HIS B 71 4.385 32.320 4.876 1.00 0.00 O ATOM 0 H HIS B 71 7.841 33.267 5.115 1.00 0.00 H new ATOM 0 HA HIS B 71 6.367 32.852 7.385 1.00 0.00 H new ATOM 0 HB2 HIS B 71 5.496 34.641 5.059 1.00 0.00 H new ATOM 0 HB3 HIS B 71 5.118 34.886 6.752 1.00 0.00 H new ATOM 0 HD2 HIS B 71 7.564 34.748 8.363 1.00 0.00 H new ATOM 0 HE1 HIS B 71 9.806 37.125 5.632 1.00 0.00 H new ATOM 0 HE2 HIS B 71 9.649 36.188 8.011 1.00 0.00 H new TER 2100 HIS B 71