USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 TYR OH : rot 28:sc= 0.146 USER MOD Set 1.2: B 129 ASN :FLIP amide:sc= -0.0878 F(o=-1.1!,f=0.058) USER MOD Set 2.1: A 51 MET CE :methyl -150:sc= -0.58 (180deg=-2.25!) USER MOD Set 2.2: A 67 SER OG : rot 180:sc= -0.0453 USER MOD Set 3.1: A 26 THR OG1 : rot -112:sc= -2.42! USER MOD Set 3.2: A 28 LYS NZ :NH3+ 179:sc= 0.396 (180deg=-0.41) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -7.1! C(o=-8.3!,f=-10!) USER MOD Set 4.2: A 21 GLN : amide:sc= -1.15! X(o=-8.3!,f=-8.1) USER MOD Single : A 1 GLN : amide:sc= -0.0123 K(o=-0.012,f=-0.54) USER MOD Single : A 1 GLN N :NH3+ -150:sc= -0.458 (180deg=-2.12!) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.0391 F(o=-2.9!,f=-0.039) USER MOD Single : A 4 GLN :FLIP amide:sc= -1.08! C(o=-2.1!,f=-1.1!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -174:sc= -1.97 (180deg=-2.19) USER MOD Single : A 31 MET CE :methyl 168:sc= -10.4! (180deg=-12.2!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot -140:sc= 1.81 USER MOD Single : A 36 GLN : amide:sc= -2.19! C(o=-2.2!,f=-2.1!) USER MOD Single : A 37 TYR OH : rot 0:sc= -3.87! USER MOD Single : A 39 MET CE :methyl -170:sc= -0.653 (180deg=-1.4) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.816! C(o=-2.2!,f=-0.82!) USER MOD Single : A 47 GLN :FLIP amide:sc= -3.34! C(o=-4.2!,f=-3.3!) USER MOD Single : A 49 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.4) USER MOD Single : A 50 HIS :FLIP no HE2:sc= -3.61! C(o=-4.7!,f=-3.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -55:sc= -4.59! USER MOD Single : A 66 GLN : amide:sc= -0.155 K(o=-0.15,f=-1.1!) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0893 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 91:sc= 0.0454 USER MOD Single : A 79 MET CE :methyl -149:sc= -1.33 (180deg=-2.21!) USER MOD Single : A 82 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00397) USER MOD Single : A 83 ASN : amide:sc= -2.62 X(o=-2.6,f=-2.1!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : B 115 SER OG : rot 32:sc= 0.0201 USER MOD Single : B 116 GLN :FLIP amide:sc= -2 F(o=-4.4!,f=-2) USER MOD Single : B 118 THR OG1 : rot 31:sc= 0.325 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 1.420 -2.258 0.631 1.00 0.00 N ATOM 2 CA GLN A 1 1.586 -1.085 -0.219 1.00 0.00 C ATOM 3 C GLN A 1 3.057 -0.700 -0.335 1.00 0.00 C ATOM 4 O GLN A 1 3.502 -0.219 -1.377 1.00 0.00 O ATOM 5 CB GLN A 1 0.781 0.091 0.336 1.00 0.00 C ATOM 6 CG GLN A 1 -0.651 -0.269 0.700 1.00 0.00 C ATOM 7 CD GLN A 1 -1.158 0.501 1.904 1.00 0.00 C ATOM 8 OE1 GLN A 1 -0.702 1.610 2.183 1.00 0.00 O ATOM 9 NE2 GLN A 1 -2.107 -0.085 2.625 1.00 0.00 N ATOM 0 H1 GLN A 1 0.586 -2.796 0.321 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.266 -2.860 0.561 1.00 0.00 H new ATOM 0 H3 GLN A 1 1.290 -1.956 1.618 1.00 0.00 H new ATOM 0 HA GLN A 1 1.215 -1.333 -1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 1 1.285 0.480 1.221 1.00 0.00 H new ATOM 0 HB3 GLN A 1 0.769 0.893 -0.402 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -1.300 -0.070 -0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -0.712 -1.338 0.905 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -2.456 -1.005 2.357 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -2.487 0.385 3.446 1.00 0.00 H new ATOM 18 N ILE A 2 3.806 -0.914 0.742 1.00 0.00 N ATOM 19 CA ILE A 2 5.227 -0.590 0.760 1.00 0.00 C ATOM 20 C ILE A 2 5.943 -1.190 -0.445 1.00 0.00 C ATOM 21 O ILE A 2 5.315 -1.784 -1.320 1.00 0.00 O ATOM 22 CB ILE A 2 5.903 -1.094 2.049 1.00 0.00 C ATOM 23 CG1 ILE A 2 6.005 -2.621 2.033 1.00 0.00 C ATOM 24 CG2 ILE A 2 5.130 -0.622 3.271 1.00 0.00 C ATOM 25 CD1 ILE A 2 7.421 -3.133 2.184 1.00 0.00 C ATOM 0 H ILE A 2 3.452 -1.310 1.613 1.00 0.00 H new ATOM 0 HA ILE A 2 5.304 0.497 0.721 1.00 0.00 H new ATOM 0 HB ILE A 2 6.911 -0.682 2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.393 -3.027 2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.590 -2.995 1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.620 -0.986 4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.104 0.468 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.112 -1.009 3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.418 -4.223 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.033 -2.757 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.833 -2.789 3.133 1.00 0.00 H new ATOM 37 N ASN A 3 7.262 -1.033 -0.481 1.00 0.00 N ATOM 38 CA ASN A 3 8.065 -1.561 -1.578 1.00 0.00 C ATOM 39 C ASN A 3 9.554 -1.438 -1.271 1.00 0.00 C ATOM 40 O ASN A 3 10.031 -0.372 -0.881 1.00 0.00 O ATOM 41 CB ASN A 3 7.739 -0.822 -2.878 1.00 0.00 C ATOM 42 CG ASN A 3 7.916 -1.700 -4.102 1.00 0.00 C ATOM 43 OD1 ASN A 3 9.034 -2.413 -4.162 1.00 0.00 O flip ATOM 44 ND2 ASN A 3 7.056 -1.737 -4.983 1.00 0.00 N flip ATOM 0 H ASN A 3 7.798 -0.545 0.237 1.00 0.00 H new ATOM 0 HA ASN A 3 7.822 -2.617 -1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.712 -0.460 -2.839 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.382 0.054 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.211 -1.172 -4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.188 -2.333 -5.800 1.00 0.00 H new ATOM 51 N GLN A 4 10.282 -2.535 -1.449 1.00 0.00 N ATOM 52 CA GLN A 4 11.717 -2.550 -1.190 1.00 0.00 C ATOM 53 C GLN A 4 12.464 -1.702 -2.215 1.00 0.00 C ATOM 54 O GLN A 4 11.944 -1.411 -3.292 1.00 0.00 O ATOM 55 CB GLN A 4 12.247 -3.985 -1.215 1.00 0.00 C ATOM 56 CG GLN A 4 11.359 -4.974 -0.477 1.00 0.00 C ATOM 57 CD GLN A 4 10.328 -5.620 -1.381 1.00 0.00 C ATOM 58 OE1 GLN A 4 9.063 -5.271 -1.180 1.00 0.00 O flip ATOM 59 NE2 GLN A 4 10.665 -6.425 -2.250 1.00 0.00 N flip ATOM 0 H GLN A 4 9.902 -3.425 -1.771 1.00 0.00 H new ATOM 0 HA GLN A 4 11.886 -2.125 -0.201 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.352 -4.307 -2.251 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.243 -4.003 -0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 4 11.980 -5.749 -0.028 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.850 -4.461 0.339 1.00 0.00 H new ATOM 0 HE21 GLN A 4 11.649 -6.664 -2.369 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.960 -6.852 -2.850 1.00 0.00 H new ATOM 68 N VAL A 5 13.686 -1.307 -1.871 1.00 0.00 N ATOM 69 CA VAL A 5 14.505 -0.493 -2.761 1.00 0.00 C ATOM 70 C VAL A 5 15.983 -0.839 -2.619 1.00 0.00 C ATOM 71 O VAL A 5 16.369 -1.602 -1.733 1.00 0.00 O ATOM 72 CB VAL A 5 14.312 1.010 -2.484 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.930 1.272 -1.903 1.00 0.00 C ATOM 74 CG2 VAL A 5 15.398 1.523 -1.551 1.00 0.00 C ATOM 0 H VAL A 5 14.130 -1.538 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 5 14.180 -0.712 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 5 14.392 1.550 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.811 2.339 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.169 0.942 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.818 0.723 -0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.246 2.586 -1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.353 0.980 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.375 1.370 -2.011 1.00 0.00 H new ATOM 84 N ARG A 6 16.805 -0.273 -3.496 1.00 0.00 N ATOM 85 CA ARG A 6 18.241 -0.522 -3.469 1.00 0.00 C ATOM 86 C ARG A 6 19.018 0.732 -3.859 1.00 0.00 C ATOM 87 O ARG A 6 19.251 1.006 -5.037 1.00 0.00 O ATOM 88 CB ARG A 6 18.599 -1.671 -4.413 1.00 0.00 C ATOM 89 CG ARG A 6 19.687 -2.586 -3.874 1.00 0.00 C ATOM 90 CD ARG A 6 19.110 -3.898 -3.365 1.00 0.00 C ATOM 91 NE ARG A 6 20.110 -4.963 -3.342 1.00 0.00 N ATOM 92 CZ ARG A 6 20.519 -5.610 -4.427 1.00 0.00 C ATOM 93 NH1 ARG A 6 20.017 -5.303 -5.615 1.00 0.00 N ATOM 94 NH2 ARG A 6 21.433 -6.567 -4.325 1.00 0.00 N ATOM 0 H ARG A 6 16.501 0.361 -4.234 1.00 0.00 H new ATOM 0 HA ARG A 6 18.517 -0.798 -2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.704 -2.261 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.924 -1.258 -5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.416 -2.788 -4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 6 20.219 -2.084 -3.066 1.00 0.00 H new ATOM 0 HD2 ARG A 6 18.711 -3.753 -2.361 1.00 0.00 H new ATOM 0 HD3 ARG A 6 18.276 -4.198 -3.999 1.00 0.00 H new ATOM 0 HE ARG A 6 20.516 -5.224 -2.443 1.00 0.00 H new ATOM 0 HH11 ARG A 6 19.315 -4.568 -5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 6 20.333 -5.802 -6.447 1.00 0.00 H new ATOM 0 HH21 ARG A 6 21.822 -6.806 -3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 6 21.747 -7.064 -5.159 1.00 0.00 H new ATOM 108 N PRO A 7 19.428 1.513 -2.849 1.00 0.00 N ATOM 109 CA PRO A 7 20.184 2.750 -3.061 1.00 0.00 C ATOM 110 C PRO A 7 21.600 2.485 -3.561 1.00 0.00 C ATOM 111 O PRO A 7 22.453 2.003 -2.815 1.00 0.00 O ATOM 112 CB PRO A 7 20.218 3.389 -1.670 1.00 0.00 C ATOM 113 CG PRO A 7 20.068 2.246 -0.726 1.00 0.00 C ATOM 114 CD PRO A 7 19.185 1.248 -1.421 1.00 0.00 C ATOM 0 HA PRO A 7 19.727 3.381 -3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.154 3.922 -1.502 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.412 4.113 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.037 1.809 -0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.623 2.572 0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.446 0.225 -1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.136 1.388 -1.159 1.00 0.00 H new ATOM 122 N LYS A 8 21.845 2.804 -4.827 1.00 0.00 N ATOM 123 CA LYS A 8 23.159 2.603 -5.427 1.00 0.00 C ATOM 124 C LYS A 8 24.194 3.526 -4.793 1.00 0.00 C ATOM 125 O LYS A 8 24.047 3.944 -3.644 1.00 0.00 O ATOM 126 CB LYS A 8 23.097 2.849 -6.936 1.00 0.00 C ATOM 127 CG LYS A 8 21.850 2.284 -7.594 1.00 0.00 C ATOM 128 CD LYS A 8 22.098 1.937 -9.052 1.00 0.00 C ATOM 129 CE LYS A 8 20.811 1.979 -9.862 1.00 0.00 C ATOM 130 NZ LYS A 8 20.257 0.616 -10.094 1.00 0.00 N ATOM 0 H LYS A 8 21.150 3.203 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 8 23.459 1.571 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 8 23.142 3.922 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.977 2.407 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.526 1.393 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.040 3.010 -7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.819 2.636 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.540 0.943 -9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.073 2.587 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.001 2.462 -10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.381 0.687 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.951 0.043 -10.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 20.052 0.164 -9.180 1.00 0.00 H new ATOM 144 N LEU A 9 25.241 3.841 -5.548 1.00 0.00 N ATOM 145 CA LEU A 9 26.301 4.716 -5.059 1.00 0.00 C ATOM 146 C LEU A 9 25.764 6.116 -4.777 1.00 0.00 C ATOM 147 O LEU A 9 25.804 6.606 -3.648 1.00 0.00 O ATOM 148 CB LEU A 9 27.438 4.791 -6.079 1.00 0.00 C ATOM 149 CG LEU A 9 28.539 3.740 -5.934 1.00 0.00 C ATOM 150 CD1 LEU A 9 29.746 4.110 -6.782 1.00 0.00 C ATOM 151 CD2 LEU A 9 28.939 3.584 -4.474 1.00 0.00 C ATOM 0 H LEU A 9 25.379 3.504 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 9 26.683 4.298 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 9 27.010 4.705 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.895 5.778 -6.012 1.00 0.00 H new ATOM 0 HG LEU A 9 28.151 2.785 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 9 30.519 3.350 -6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 9 29.450 4.170 -7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 9 30.135 5.076 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 9 29.724 2.832 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 9 29.307 4.537 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 9 28.073 3.271 -3.891 1.00 0.00 H new ATOM 163 N PRO A 10 25.247 6.774 -5.825 1.00 0.00 N ATOM 164 CA PRO A 10 24.689 8.125 -5.713 1.00 0.00 C ATOM 165 C PRO A 10 23.382 8.150 -4.928 1.00 0.00 C ATOM 166 O PRO A 10 22.798 9.212 -4.709 1.00 0.00 O ATOM 167 CB PRO A 10 24.445 8.530 -7.170 1.00 0.00 C ATOM 168 CG PRO A 10 24.276 7.241 -7.897 1.00 0.00 C ATOM 169 CD PRO A 10 25.166 6.251 -7.198 1.00 0.00 C ATOM 0 HA PRO A 10 25.357 8.798 -5.175 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.558 9.157 -7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.283 9.102 -7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.236 6.914 -7.875 1.00 0.00 H new ATOM 0 HG3 PRO A 10 24.556 7.345 -8.945 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.745 5.246 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.149 6.195 -7.665 1.00 0.00 H new ATOM 177 N LEU A 11 22.928 6.975 -4.507 1.00 0.00 N ATOM 178 CA LEU A 11 21.690 6.862 -3.744 1.00 0.00 C ATOM 179 C LEU A 11 21.965 6.371 -2.327 1.00 0.00 C ATOM 180 O LEU A 11 21.170 6.599 -1.414 1.00 0.00 O ATOM 181 CB LEU A 11 20.721 5.909 -4.447 1.00 0.00 C ATOM 182 CG LEU A 11 20.112 6.415 -5.755 1.00 0.00 C ATOM 183 CD1 LEU A 11 18.689 5.904 -5.915 1.00 0.00 C ATOM 184 CD2 LEU A 11 20.144 7.935 -5.805 1.00 0.00 C ATOM 0 H LEU A 11 23.399 6.087 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 11 21.238 7.852 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.245 4.975 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 11 19.909 5.675 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 11 20.708 6.032 -6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.272 6.275 -6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.693 4.814 -5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.080 6.256 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.707 8.277 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.572 8.339 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 11 21.176 8.280 -5.739 1.00 0.00 H new ATOM 196 N LEU A 12 23.097 5.699 -2.149 1.00 0.00 N ATOM 197 CA LEU A 12 23.480 5.178 -0.841 1.00 0.00 C ATOM 198 C LEU A 12 24.007 6.293 0.057 1.00 0.00 C ATOM 199 O LEU A 12 23.524 6.488 1.172 1.00 0.00 O ATOM 200 CB LEU A 12 24.542 4.088 -0.996 1.00 0.00 C ATOM 201 CG LEU A 12 25.088 3.493 0.303 1.00 0.00 C ATOM 202 CD1 LEU A 12 23.956 3.216 1.280 1.00 0.00 C ATOM 203 CD2 LEU A 12 25.873 2.222 0.019 1.00 0.00 C ATOM 0 H LEU A 12 23.766 5.502 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 12 22.593 4.750 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.120 3.280 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.377 4.500 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 12 25.763 4.219 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.363 2.793 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.437 4.147 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.256 2.509 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 12 26.254 1.813 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 12 25.221 1.491 -0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 12 26.708 2.450 -0.643 1.00 0.00 H new ATOM 215 N LYS A 13 25.000 7.024 -0.438 1.00 0.00 N ATOM 216 CA LYS A 13 25.591 8.123 0.317 1.00 0.00 C ATOM 217 C LYS A 13 24.514 9.076 0.824 1.00 0.00 C ATOM 218 O LYS A 13 24.628 9.630 1.918 1.00 0.00 O ATOM 219 CB LYS A 13 26.594 8.885 -0.553 1.00 0.00 C ATOM 220 CG LYS A 13 25.989 10.075 -1.277 1.00 0.00 C ATOM 221 CD LYS A 13 27.039 10.842 -2.064 1.00 0.00 C ATOM 222 CE LYS A 13 26.909 12.342 -1.852 1.00 0.00 C ATOM 223 NZ LYS A 13 27.734 12.814 -0.706 1.00 0.00 N ATOM 0 H LYS A 13 25.413 6.875 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 13 26.112 7.702 1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.416 9.231 0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.019 8.201 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 13 25.206 9.731 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.517 10.740 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 13 28.034 10.515 -1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.939 10.613 -3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.214 12.865 -2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 13 25.864 12.594 -1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 27.618 13.841 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.426 12.334 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.735 12.596 -0.886 1.00 0.00 H new ATOM 237 N ILE A 14 23.470 9.262 0.023 1.00 0.00 N ATOM 238 CA ILE A 14 22.372 10.146 0.393 1.00 0.00 C ATOM 239 C ILE A 14 21.705 9.684 1.684 1.00 0.00 C ATOM 240 O ILE A 14 21.572 10.453 2.637 1.00 0.00 O ATOM 241 CB ILE A 14 21.312 10.224 -0.721 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.975 10.523 -2.067 1.00 0.00 C ATOM 243 CG2 ILE A 14 20.272 11.283 -0.390 1.00 0.00 C ATOM 244 CD1 ILE A 14 21.046 11.175 -3.067 1.00 0.00 C ATOM 0 H ILE A 14 23.362 8.812 -0.886 1.00 0.00 H new ATOM 0 HA ILE A 14 22.802 11.136 0.544 1.00 0.00 H new ATOM 0 HB ILE A 14 20.810 9.259 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.834 11.174 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 14 22.356 9.593 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.530 11.326 -1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.781 11.030 0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.759 12.254 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.583 11.358 -3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.199 10.516 -3.260 1.00 0.00 H new ATOM 0 HD13 ILE A 14 20.685 12.121 -2.665 1.00 0.00 H new ATOM 256 N LEU A 15 21.288 8.423 1.709 1.00 0.00 N ATOM 257 CA LEU A 15 20.635 7.856 2.884 1.00 0.00 C ATOM 258 C LEU A 15 21.616 7.733 4.045 1.00 0.00 C ATOM 259 O LEU A 15 21.243 7.899 5.207 1.00 0.00 O ATOM 260 CB LEU A 15 20.046 6.484 2.552 1.00 0.00 C ATOM 261 CG LEU A 15 19.214 6.403 1.271 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.346 5.154 1.277 1.00 0.00 C ATOM 263 CD2 LEU A 15 18.356 7.650 1.113 1.00 0.00 C ATOM 0 H LEU A 15 21.390 7.774 0.929 1.00 0.00 H new ATOM 0 HA LEU A 15 19.830 8.528 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.864 5.768 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.422 6.167 3.387 1.00 0.00 H new ATOM 0 HG LEU A 15 19.894 6.344 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.761 5.113 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.981 4.270 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.673 5.182 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.771 7.575 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.684 7.740 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.998 8.529 1.063 1.00 0.00 H new ATOM 275 N HIS A 16 22.873 7.442 3.723 1.00 0.00 N ATOM 276 CA HIS A 16 23.909 7.299 4.740 1.00 0.00 C ATOM 277 C HIS A 16 24.050 8.581 5.555 1.00 0.00 C ATOM 278 O HIS A 16 24.053 8.549 6.785 1.00 0.00 O ATOM 279 CB HIS A 16 25.246 6.945 4.090 1.00 0.00 C ATOM 280 CG HIS A 16 25.539 5.476 4.084 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.798 4.959 4.308 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.727 4.412 3.881 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.747 3.640 4.242 1.00 0.00 C ATOM 284 NE2 HIS A 16 25.502 3.283 3.985 1.00 0.00 N ATOM 0 H HIS A 16 23.198 7.301 2.767 1.00 0.00 H new ATOM 0 HA HIS A 16 23.615 6.492 5.412 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.250 7.312 3.064 1.00 0.00 H new ATOM 0 HB3 HIS A 16 26.046 7.465 4.618 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.637 5.508 4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.667 4.445 3.676 1.00 0.00 H new ATOM 0 HE1 HIS A 16 27.582 2.968 4.376 1.00 0.00 H new ATOM 292 N ALA A 17 24.169 9.708 4.861 1.00 0.00 N ATOM 293 CA ALA A 17 24.309 11.000 5.520 1.00 0.00 C ATOM 294 C ALA A 17 23.071 11.333 6.345 1.00 0.00 C ATOM 295 O ALA A 17 23.145 12.083 7.318 1.00 0.00 O ATOM 296 CB ALA A 17 24.570 12.092 4.492 1.00 0.00 C ATOM 0 H ALA A 17 24.171 9.752 3.842 1.00 0.00 H new ATOM 0 HA ALA A 17 25.161 10.943 6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.672 13.052 4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 17 25.488 11.869 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.736 12.139 3.791 1.00 0.00 H new ATOM 302 N ALA A 18 21.933 10.772 5.949 1.00 0.00 N ATOM 303 CA ALA A 18 20.679 11.008 6.653 1.00 0.00 C ATOM 304 C ALA A 18 20.552 10.098 7.870 1.00 0.00 C ATOM 305 O ALA A 18 19.530 10.100 8.555 1.00 0.00 O ATOM 306 CB ALA A 18 19.500 10.804 5.714 1.00 0.00 C ATOM 0 H ALA A 18 21.854 10.151 5.144 1.00 0.00 H new ATOM 0 HA ALA A 18 20.677 12.040 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.570 10.984 6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.575 11.500 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.509 9.782 5.336 1.00 0.00 H new ATOM 312 N GLY A 19 21.597 9.319 8.132 1.00 0.00 N ATOM 313 CA GLY A 19 21.581 8.413 9.266 1.00 0.00 C ATOM 314 C GLY A 19 21.300 6.980 8.859 1.00 0.00 C ATOM 315 O GLY A 19 20.985 6.139 9.701 1.00 0.00 O ATOM 0 H GLY A 19 22.454 9.299 7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 19 22.542 8.460 9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 19 20.824 8.740 9.978 1.00 0.00 H new ATOM 319 N ALA A 20 21.412 6.701 7.565 1.00 0.00 N ATOM 320 CA ALA A 20 21.168 5.360 7.049 1.00 0.00 C ATOM 321 C ALA A 20 22.468 4.569 6.938 1.00 0.00 C ATOM 322 O ALA A 20 23.555 5.119 7.111 1.00 0.00 O ATOM 323 CB ALA A 20 20.476 5.433 5.696 1.00 0.00 C ATOM 0 H ALA A 20 21.670 7.386 6.855 1.00 0.00 H new ATOM 0 HA ALA A 20 20.516 4.841 7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.300 4.424 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.523 5.952 5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.108 5.975 4.993 1.00 0.00 H new ATOM 329 N GLN A 21 22.346 3.278 6.648 1.00 0.00 N ATOM 330 CA GLN A 21 23.512 2.412 6.516 1.00 0.00 C ATOM 331 C GLN A 21 23.113 1.038 5.989 1.00 0.00 C ATOM 332 O GLN A 21 22.553 0.221 6.719 1.00 0.00 O ATOM 333 CB GLN A 21 24.222 2.268 7.863 1.00 0.00 C ATOM 334 CG GLN A 21 25.739 2.294 7.757 1.00 0.00 C ATOM 335 CD GLN A 21 26.328 3.634 8.151 1.00 0.00 C ATOM 336 OE1 GLN A 21 27.081 3.733 9.121 1.00 0.00 O ATOM 337 NE2 GLN A 21 25.989 4.675 7.400 1.00 0.00 N ATOM 0 H GLN A 21 21.453 2.809 6.500 1.00 0.00 H new ATOM 0 HA GLN A 21 24.195 2.871 5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.898 3.073 8.523 1.00 0.00 H new ATOM 0 HB3 GLN A 21 23.915 1.331 8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.157 1.516 8.395 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.032 2.059 6.734 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.362 4.548 6.605 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.355 5.602 7.618 1.00 0.00 H new ATOM 346 N GLY A 22 23.404 0.790 4.716 1.00 0.00 N ATOM 347 CA GLY A 22 23.068 -0.487 4.113 1.00 0.00 C ATOM 348 C GLY A 22 22.805 -0.373 2.624 1.00 0.00 C ATOM 349 O GLY A 22 23.144 0.634 2.003 1.00 0.00 O ATOM 0 H GLY A 22 23.866 1.450 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 22 23.883 -1.191 4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.186 -0.897 4.605 1.00 0.00 H new ATOM 353 N GLU A 23 22.202 -1.410 2.050 1.00 0.00 N ATOM 354 CA GLU A 23 21.897 -1.422 0.624 1.00 0.00 C ATOM 355 C GLU A 23 20.430 -1.768 0.385 1.00 0.00 C ATOM 356 O GLU A 23 19.982 -1.860 -0.758 1.00 0.00 O ATOM 357 CB GLU A 23 22.795 -2.426 -0.103 1.00 0.00 C ATOM 358 CG GLU A 23 23.583 -1.817 -1.251 1.00 0.00 C ATOM 359 CD GLU A 23 24.869 -2.567 -1.537 1.00 0.00 C ATOM 360 OE1 GLU A 23 24.943 -3.768 -1.205 1.00 0.00 O ATOM 361 OE2 GLU A 23 25.802 -1.951 -2.095 1.00 0.00 O ATOM 0 H GLU A 23 21.915 -2.252 2.550 1.00 0.00 H new ATOM 0 HA GLU A 23 22.086 -0.424 0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.491 -2.863 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.180 -3.240 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.964 -1.809 -2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 23 23.817 -0.779 -1.016 1.00 0.00 H new ATOM 368 N MET A 24 19.688 -1.958 1.470 1.00 0.00 N ATOM 369 CA MET A 24 18.272 -2.294 1.379 1.00 0.00 C ATOM 370 C MET A 24 17.450 -1.452 2.350 1.00 0.00 C ATOM 371 O MET A 24 17.816 -1.297 3.515 1.00 0.00 O ATOM 372 CB MET A 24 18.058 -3.781 1.667 1.00 0.00 C ATOM 373 CG MET A 24 19.338 -4.522 2.015 1.00 0.00 C ATOM 374 SD MET A 24 20.382 -4.822 0.576 1.00 0.00 S ATOM 375 CE MET A 24 21.983 -5.020 1.354 1.00 0.00 C ATOM 0 H MET A 24 20.044 -1.885 2.423 1.00 0.00 H new ATOM 0 HA MET A 24 17.938 -2.077 0.364 1.00 0.00 H new ATOM 0 HB2 MET A 24 17.352 -3.885 2.491 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.602 -4.250 0.795 1.00 0.00 H new ATOM 0 HG2 MET A 24 19.898 -3.945 2.751 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.086 -5.475 2.481 1.00 0.00 H new ATOM 0 HE1 MET A 24 22.752 -5.106 0.587 1.00 0.00 H new ATOM 0 HE2 MET A 24 22.192 -4.154 1.982 1.00 0.00 H new ATOM 0 HE3 MET A 24 21.980 -5.921 1.968 1.00 0.00 H new ATOM 385 N PHE A 25 16.339 -0.910 1.863 1.00 0.00 N ATOM 386 CA PHE A 25 15.466 -0.084 2.688 1.00 0.00 C ATOM 387 C PHE A 25 14.080 0.039 2.061 1.00 0.00 C ATOM 388 O PHE A 25 13.946 0.181 0.845 1.00 0.00 O ATOM 389 CB PHE A 25 16.076 1.306 2.880 1.00 0.00 C ATOM 390 CG PHE A 25 17.496 1.275 3.370 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.550 1.183 2.476 1.00 0.00 C ATOM 392 CD2 PHE A 25 17.775 1.338 4.726 1.00 0.00 C ATOM 393 CE1 PHE A 25 19.857 1.154 2.924 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.081 1.310 5.180 1.00 0.00 C ATOM 395 CZ PHE A 25 20.123 1.217 4.278 1.00 0.00 C ATOM 0 H PHE A 25 16.022 -1.028 0.901 1.00 0.00 H new ATOM 0 HA PHE A 25 15.364 -0.566 3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.038 1.844 1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.467 1.866 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.348 1.133 1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.964 1.410 5.436 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.670 1.082 2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.286 1.361 6.239 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.144 1.194 4.631 1.00 0.00 H new ATOM 405 N THR A 26 13.050 -0.018 2.899 1.00 0.00 N ATOM 406 CA THR A 26 11.675 0.085 2.429 1.00 0.00 C ATOM 407 C THR A 26 11.313 1.529 2.100 1.00 0.00 C ATOM 408 O THR A 26 12.162 2.419 2.147 1.00 0.00 O ATOM 409 CB THR A 26 10.681 -0.456 3.474 1.00 0.00 C ATOM 410 OG1 THR A 26 11.296 -0.481 4.767 1.00 0.00 O ATOM 411 CG2 THR A 26 10.213 -1.855 3.102 1.00 0.00 C ATOM 0 H THR A 26 13.143 -0.135 3.908 1.00 0.00 H new ATOM 0 HA THR A 26 11.605 -0.520 1.525 1.00 0.00 H new ATOM 0 HB THR A 26 9.815 0.205 3.497 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.421 -1.410 5.052 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.512 -2.216 3.854 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.720 -1.827 2.130 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.071 -2.525 3.054 1.00 0.00 H new ATOM 419 N VAL A 27 10.046 1.755 1.767 1.00 0.00 N ATOM 420 CA VAL A 27 9.571 3.092 1.432 1.00 0.00 C ATOM 421 C VAL A 27 9.667 4.027 2.632 1.00 0.00 C ATOM 422 O VAL A 27 10.172 5.145 2.525 1.00 0.00 O ATOM 423 CB VAL A 27 8.113 3.062 0.935 1.00 0.00 C ATOM 424 CG1 VAL A 27 7.911 4.067 -0.189 1.00 0.00 C ATOM 425 CG2 VAL A 27 7.735 1.660 0.481 1.00 0.00 C ATOM 0 H VAL A 27 9.330 1.030 1.722 1.00 0.00 H new ATOM 0 HA VAL A 27 10.212 3.464 0.633 1.00 0.00 H new ATOM 0 HB VAL A 27 7.460 3.341 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.875 4.031 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.140 5.069 0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.573 3.822 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.702 1.656 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.393 1.351 -0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.839 0.967 1.316 1.00 0.00 H new ATOM 435 N LYS A 28 9.180 3.562 3.778 1.00 0.00 N ATOM 436 CA LYS A 28 9.212 4.354 5.001 1.00 0.00 C ATOM 437 C LYS A 28 10.648 4.647 5.422 1.00 0.00 C ATOM 438 O LYS A 28 10.940 5.714 5.962 1.00 0.00 O ATOM 439 CB LYS A 28 8.479 3.621 6.127 1.00 0.00 C ATOM 440 CG LYS A 28 9.271 2.469 6.720 1.00 0.00 C ATOM 441 CD LYS A 28 9.266 1.258 5.801 1.00 0.00 C ATOM 442 CE LYS A 28 9.372 -0.039 6.588 1.00 0.00 C ATOM 443 NZ LYS A 28 10.725 -0.217 7.185 1.00 0.00 N ATOM 0 H LYS A 28 8.758 2.639 3.885 1.00 0.00 H new ATOM 0 HA LYS A 28 8.709 5.301 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.241 4.333 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.532 3.241 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.298 2.787 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.848 2.195 7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.350 1.252 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.098 1.328 5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.622 -0.046 7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.151 -0.881 5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.751 -1.104 7.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.437 -0.253 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.933 0.582 7.818 1.00 0.00 H new ATOM 457 N GLU A 29 11.540 3.695 5.170 1.00 0.00 N ATOM 458 CA GLU A 29 12.946 3.853 5.523 1.00 0.00 C ATOM 459 C GLU A 29 13.639 4.826 4.574 1.00 0.00 C ATOM 460 O GLU A 29 14.371 5.718 5.005 1.00 0.00 O ATOM 461 CB GLU A 29 13.659 2.499 5.492 1.00 0.00 C ATOM 462 CG GLU A 29 13.514 1.706 6.780 1.00 0.00 C ATOM 463 CD GLU A 29 14.281 2.323 7.934 1.00 0.00 C ATOM 464 OE1 GLU A 29 13.761 3.275 8.551 1.00 0.00 O ATOM 465 OE2 GLU A 29 15.402 1.852 8.219 1.00 0.00 O ATOM 0 H GLU A 29 11.314 2.806 4.723 1.00 0.00 H new ATOM 0 HA GLU A 29 12.996 4.259 6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.264 1.909 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.718 2.660 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.459 1.639 7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.867 0.688 6.617 1.00 0.00 H new ATOM 472 N VAL A 30 13.404 4.648 3.277 1.00 0.00 N ATOM 473 CA VAL A 30 14.004 5.510 2.266 1.00 0.00 C ATOM 474 C VAL A 30 13.510 6.946 2.404 1.00 0.00 C ATOM 475 O VAL A 30 14.280 7.895 2.256 1.00 0.00 O ATOM 476 CB VAL A 30 13.693 5.007 0.844 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.248 5.969 -0.196 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.254 3.607 0.640 1.00 0.00 C ATOM 0 H VAL A 30 12.802 3.914 2.902 1.00 0.00 H new ATOM 0 HA VAL A 30 15.082 5.483 2.426 1.00 0.00 H new ATOM 0 HB VAL A 30 12.611 4.962 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.019 5.597 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.795 6.951 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.329 6.049 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.025 3.267 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.335 3.624 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.804 2.926 1.363 1.00 0.00 H new ATOM 488 N MET A 31 12.221 7.098 2.690 1.00 0.00 N ATOM 489 CA MET A 31 11.625 8.419 2.850 1.00 0.00 C ATOM 490 C MET A 31 12.153 9.105 4.106 1.00 0.00 C ATOM 491 O MET A 31 12.476 10.293 4.088 1.00 0.00 O ATOM 492 CB MET A 31 10.101 8.309 2.917 1.00 0.00 C ATOM 493 CG MET A 31 9.494 8.999 4.128 1.00 0.00 C ATOM 494 SD MET A 31 9.717 10.788 4.092 1.00 0.00 S ATOM 495 CE MET A 31 9.774 11.087 2.327 1.00 0.00 C ATOM 0 H MET A 31 11.570 6.323 2.816 1.00 0.00 H new ATOM 0 HA MET A 31 11.901 9.022 1.985 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.674 8.740 2.012 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.821 7.256 2.931 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.429 8.770 4.176 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.947 8.598 5.035 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.694 12.157 2.137 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.717 10.716 1.925 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.946 10.570 1.843 1.00 0.00 H new ATOM 505 N HIS A 32 12.238 8.349 5.196 1.00 0.00 N ATOM 506 CA HIS A 32 12.727 8.885 6.462 1.00 0.00 C ATOM 507 C HIS A 32 14.118 9.490 6.294 1.00 0.00 C ATOM 508 O HIS A 32 14.492 10.420 7.010 1.00 0.00 O ATOM 509 CB HIS A 32 12.761 7.788 7.526 1.00 0.00 C ATOM 510 CG HIS A 32 12.573 8.300 8.921 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.543 7.891 9.741 1.00 0.00 N ATOM 512 CD2 HIS A 32 13.293 9.193 9.640 1.00 0.00 C ATOM 513 CE1 HIS A 32 11.636 8.511 10.904 1.00 0.00 C ATOM 514 NE2 HIS A 32 12.690 9.306 10.869 1.00 0.00 N ATOM 0 H HIS A 32 11.975 7.364 5.228 1.00 0.00 H new ATOM 0 HA HIS A 32 12.044 9.671 6.784 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.982 7.058 7.308 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.715 7.264 7.466 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.177 9.718 9.309 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.964 8.389 11.741 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.005 9.906 11.631 1.00 0.00 H new ATOM 522 N TYR A 33 14.879 8.957 5.345 1.00 0.00 N ATOM 523 CA TYR A 33 16.229 9.442 5.086 1.00 0.00 C ATOM 524 C TYR A 33 16.196 10.798 4.386 1.00 0.00 C ATOM 525 O TYR A 33 17.045 11.656 4.629 1.00 0.00 O ATOM 526 CB TYR A 33 17.001 8.434 4.233 1.00 0.00 C ATOM 527 CG TYR A 33 17.213 7.101 4.914 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.519 7.032 6.268 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.108 5.911 4.204 1.00 0.00 C ATOM 530 CE1 TYR A 33 17.714 5.816 6.894 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.300 4.691 4.823 1.00 0.00 C ATOM 532 CZ TYR A 33 17.603 4.649 6.168 1.00 0.00 C ATOM 533 OH TYR A 33 17.796 3.435 6.788 1.00 0.00 O ATOM 0 H TYR A 33 14.584 8.189 4.742 1.00 0.00 H new ATOM 0 HA TYR A 33 16.735 9.560 6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.463 8.274 3.299 1.00 0.00 H new ATOM 0 HB3 TYR A 33 17.971 8.858 3.973 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.606 7.944 6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.872 5.940 3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 33 17.952 5.780 7.947 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.213 3.775 4.257 1.00 0.00 H new ATOM 0 HH TYR A 33 18.296 2.839 6.192 1.00 0.00 H new ATOM 543 N LEU A 34 15.209 10.983 3.516 1.00 0.00 N ATOM 544 CA LEU A 34 15.063 12.234 2.780 1.00 0.00 C ATOM 545 C LEU A 34 15.109 13.430 3.725 1.00 0.00 C ATOM 546 O LEU A 34 15.947 14.318 3.579 1.00 0.00 O ATOM 547 CB LEU A 34 13.749 12.238 1.998 1.00 0.00 C ATOM 548 CG LEU A 34 13.874 12.182 0.475 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.760 13.311 -0.029 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.423 10.833 0.034 1.00 0.00 C ATOM 0 H LEU A 34 14.498 10.283 3.303 1.00 0.00 H new ATOM 0 HA LEU A 34 15.895 12.315 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.152 11.387 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.194 13.137 2.264 1.00 0.00 H new ATOM 0 HG LEU A 34 12.881 12.306 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 34 14.838 13.256 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.325 14.269 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.753 13.218 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.505 10.811 -1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.408 10.679 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.750 10.041 0.363 1.00 0.00 H new ATOM 562 N GLY A 35 14.201 13.446 4.697 1.00 0.00 N ATOM 563 CA GLY A 35 14.156 14.536 5.654 1.00 0.00 C ATOM 564 C GLY A 35 15.492 14.767 6.332 1.00 0.00 C ATOM 565 O GLY A 35 15.961 15.902 6.422 1.00 0.00 O ATOM 0 H GLY A 35 13.496 12.723 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.847 15.449 5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.401 14.321 6.410 1.00 0.00 H new ATOM 569 N GLN A 36 16.104 13.690 6.812 1.00 0.00 N ATOM 570 CA GLN A 36 17.393 13.782 7.488 1.00 0.00 C ATOM 571 C GLN A 36 18.450 14.379 6.566 1.00 0.00 C ATOM 572 O GLN A 36 19.262 15.203 6.987 1.00 0.00 O ATOM 573 CB GLN A 36 17.840 12.400 7.969 1.00 0.00 C ATOM 574 CG GLN A 36 16.982 11.840 9.093 1.00 0.00 C ATOM 575 CD GLN A 36 17.808 11.253 10.220 1.00 0.00 C ATOM 576 OE1 GLN A 36 17.655 10.084 10.574 1.00 0.00 O ATOM 577 NE2 GLN A 36 18.691 12.063 10.792 1.00 0.00 N ATOM 0 H GLN A 36 15.729 12.744 6.746 1.00 0.00 H new ATOM 0 HA GLN A 36 17.277 14.439 8.350 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.819 11.707 7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.874 12.459 8.308 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.346 12.632 9.488 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.322 11.071 8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.785 13.025 10.467 1.00 0.00 H new ATOM 0 HE22 GLN A 36 19.275 11.723 11.556 1.00 0.00 H new ATOM 586 N TYR A 37 18.435 13.958 5.306 1.00 0.00 N ATOM 587 CA TYR A 37 19.395 14.449 4.324 1.00 0.00 C ATOM 588 C TYR A 37 19.259 15.957 4.137 1.00 0.00 C ATOM 589 O TYR A 37 20.254 16.682 4.107 1.00 0.00 O ATOM 590 CB TYR A 37 19.195 13.737 2.985 1.00 0.00 C ATOM 591 CG TYR A 37 20.183 14.161 1.921 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.521 13.794 2.002 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.778 14.928 0.836 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.426 14.180 1.032 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.676 15.316 -0.139 1.00 0.00 C ATOM 596 CZ TYR A 37 21.999 14.941 -0.036 1.00 0.00 C ATOM 597 OH TYR A 37 22.898 15.326 -1.004 1.00 0.00 O ATOM 0 H TYR A 37 17.769 13.278 4.941 1.00 0.00 H new ATOM 0 HA TYR A 37 20.398 14.236 4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.279 12.661 3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 37 18.184 13.930 2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.859 13.198 2.837 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.743 15.226 0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.463 13.887 1.110 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.344 15.910 -0.978 1.00 0.00 H new ATOM 0 HH TYR A 37 23.787 14.978 -0.782 1.00 0.00 H new ATOM 607 N ILE A 38 18.021 16.422 4.012 1.00 0.00 N ATOM 608 CA ILE A 38 17.754 17.843 3.830 1.00 0.00 C ATOM 609 C ILE A 38 18.241 18.652 5.027 1.00 0.00 C ATOM 610 O ILE A 38 18.868 19.700 4.867 1.00 0.00 O ATOM 611 CB ILE A 38 16.252 18.111 3.621 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.743 17.358 2.390 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.995 19.604 3.478 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.243 17.433 2.212 1.00 0.00 C ATOM 0 H ILE A 38 17.187 15.835 4.033 1.00 0.00 H new ATOM 0 HA ILE A 38 18.298 18.154 2.938 1.00 0.00 H new ATOM 0 HB ILE A 38 15.709 17.750 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.227 17.763 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.040 16.312 2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.929 19.777 3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 38 16.325 20.118 4.381 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.547 19.988 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.954 16.877 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.751 17.001 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.941 18.475 2.104 1.00 0.00 H new ATOM 626 N MET A 39 17.951 18.158 6.226 1.00 0.00 N ATOM 627 CA MET A 39 18.363 18.834 7.451 1.00 0.00 C ATOM 628 C MET A 39 19.876 18.756 7.632 1.00 0.00 C ATOM 629 O MET A 39 20.481 19.624 8.261 1.00 0.00 O ATOM 630 CB MET A 39 17.660 18.216 8.661 1.00 0.00 C ATOM 631 CG MET A 39 18.523 17.226 9.425 1.00 0.00 C ATOM 632 SD MET A 39 17.683 16.539 10.865 1.00 0.00 S ATOM 633 CE MET A 39 16.682 17.935 11.371 1.00 0.00 C ATOM 0 H MET A 39 17.433 17.292 6.376 1.00 0.00 H new ATOM 0 HA MET A 39 18.078 19.883 7.371 1.00 0.00 H new ATOM 0 HB2 MET A 39 17.350 19.013 9.337 1.00 0.00 H new ATOM 0 HB3 MET A 39 16.753 17.712 8.326 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.815 16.415 8.758 1.00 0.00 H new ATOM 0 HG3 MET A 39 19.440 17.721 9.746 1.00 0.00 H new ATOM 0 HE1 MET A 39 16.240 17.731 12.346 1.00 0.00 H new ATOM 0 HE2 MET A 39 17.306 18.826 11.434 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.889 18.098 10.641 1.00 0.00 H new ATOM 643 N VAL A 40 20.481 17.711 7.078 1.00 0.00 N ATOM 644 CA VAL A 40 21.923 17.520 7.178 1.00 0.00 C ATOM 645 C VAL A 40 22.670 18.489 6.269 1.00 0.00 C ATOM 646 O VAL A 40 23.716 19.024 6.638 1.00 0.00 O ATOM 647 CB VAL A 40 22.325 16.078 6.814 1.00 0.00 C ATOM 648 CG1 VAL A 40 23.032 16.045 5.467 1.00 0.00 C ATOM 649 CG2 VAL A 40 23.205 15.481 7.902 1.00 0.00 C ATOM 0 H VAL A 40 19.995 16.983 6.555 1.00 0.00 H new ATOM 0 HA VAL A 40 22.197 17.715 8.215 1.00 0.00 H new ATOM 0 HB VAL A 40 21.421 15.474 6.737 1.00 0.00 H new ATOM 0 HG11 VAL A 40 23.309 15.019 5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 40 22.365 16.431 4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.930 16.662 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.480 14.462 7.629 1.00 0.00 H new ATOM 0 HG22 VAL A 40 24.107 16.083 8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.659 15.469 8.846 1.00 0.00 H new ATOM 659 N LYS A 41 22.126 18.713 5.078 1.00 0.00 N ATOM 660 CA LYS A 41 22.739 19.620 4.114 1.00 0.00 C ATOM 661 C LYS A 41 22.192 21.035 4.275 1.00 0.00 C ATOM 662 O LYS A 41 22.754 21.991 3.742 1.00 0.00 O ATOM 663 CB LYS A 41 22.491 19.125 2.687 1.00 0.00 C ATOM 664 CG LYS A 41 23.361 17.943 2.294 1.00 0.00 C ATOM 665 CD LYS A 41 24.824 18.338 2.191 1.00 0.00 C ATOM 666 CE LYS A 41 25.558 18.107 3.503 1.00 0.00 C ATOM 667 NZ LYS A 41 26.499 16.956 3.416 1.00 0.00 N ATOM 0 H LYS A 41 21.261 18.279 4.757 1.00 0.00 H new ATOM 0 HA LYS A 41 23.812 19.640 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.443 18.844 2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 41 22.670 19.944 1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 41 23.249 17.147 3.030 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.023 17.543 1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 41 25.302 17.762 1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 41 24.899 19.389 1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 41 26.109 19.007 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 41 24.834 17.925 4.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 26.980 16.831 4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 25.970 16.092 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 27.206 17.140 2.675 1.00 0.00 H new ATOM 681 N GLN A 42 21.093 21.160 5.013 1.00 0.00 N ATOM 682 CA GLN A 42 20.472 22.458 5.243 1.00 0.00 C ATOM 683 C GLN A 42 19.767 22.956 3.985 1.00 0.00 C ATOM 684 O GLN A 42 20.203 23.921 3.357 1.00 0.00 O ATOM 685 CB GLN A 42 21.521 23.477 5.690 1.00 0.00 C ATOM 686 CG GLN A 42 21.292 24.010 7.096 1.00 0.00 C ATOM 687 CD GLN A 42 22.248 23.412 8.109 1.00 0.00 C ATOM 688 OE1 GLN A 42 22.764 24.112 8.981 1.00 0.00 O ATOM 689 NE2 GLN A 42 22.490 22.111 8.000 1.00 0.00 N ATOM 0 H GLN A 42 20.615 20.378 5.461 1.00 0.00 H new ATOM 0 HA GLN A 42 19.729 22.341 6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 42 22.507 23.016 5.642 1.00 0.00 H new ATOM 0 HB3 GLN A 42 21.525 24.312 4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.404 25.094 7.092 1.00 0.00 H new ATOM 0 HG3 GLN A 42 20.267 23.796 7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 42 22.041 21.569 7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 42 23.125 21.654 8.654 1.00 0.00 H new ATOM 698 N LEU A 43 18.676 22.290 3.622 1.00 0.00 N ATOM 699 CA LEU A 43 17.910 22.664 2.438 1.00 0.00 C ATOM 700 C LEU A 43 16.417 22.698 2.744 1.00 0.00 C ATOM 701 O LEU A 43 15.608 22.132 2.008 1.00 0.00 O ATOM 702 CB LEU A 43 18.187 21.684 1.297 1.00 0.00 C ATOM 703 CG LEU A 43 19.591 21.733 0.695 1.00 0.00 C ATOM 704 CD1 LEU A 43 20.012 23.172 0.438 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.589 21.039 1.611 1.00 0.00 C ATOM 0 H LEU A 43 18.302 21.489 4.130 1.00 0.00 H new ATOM 0 HA LEU A 43 18.222 23.663 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 43 18.005 20.673 1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 43 17.466 21.871 0.501 1.00 0.00 H new ATOM 0 HG LEU A 43 19.575 21.205 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 43 21.014 23.187 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 43 19.313 23.637 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 43 20.011 23.725 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.583 21.084 1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 43 20.602 21.538 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 43 20.297 19.997 1.744 1.00 0.00 H new ATOM 717 N TYR A 44 16.057 23.367 3.834 1.00 0.00 N ATOM 718 CA TYR A 44 14.660 23.475 4.238 1.00 0.00 C ATOM 719 C TYR A 44 14.395 24.808 4.932 1.00 0.00 C ATOM 720 O TYR A 44 15.325 25.536 5.278 1.00 0.00 O ATOM 721 CB TYR A 44 14.285 22.320 5.167 1.00 0.00 C ATOM 722 CG TYR A 44 15.112 22.266 6.431 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.488 22.083 6.377 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.517 22.400 7.680 1.00 0.00 C ATOM 725 CE1 TYR A 44 17.248 22.033 7.530 1.00 0.00 C ATOM 726 CE2 TYR A 44 15.269 22.353 8.838 1.00 0.00 C ATOM 727 CZ TYR A 44 16.634 22.169 8.758 1.00 0.00 C ATOM 728 OH TYR A 44 17.387 22.121 9.908 1.00 0.00 O ATOM 0 H TYR A 44 16.713 23.843 4.453 1.00 0.00 H new ATOM 0 HA TYR A 44 14.044 23.425 3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.232 22.408 5.435 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.399 21.380 4.628 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.972 21.978 5.417 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.449 22.543 7.746 1.00 0.00 H new ATOM 0 HE1 TYR A 44 18.317 21.888 7.470 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.791 22.460 9.801 1.00 0.00 H new ATOM 0 HH TYR A 44 16.803 22.234 10.687 1.00 0.00 H new ATOM 738 N ASP A 45 13.119 25.119 5.134 1.00 0.00 N ATOM 739 CA ASP A 45 12.730 26.362 5.789 1.00 0.00 C ATOM 740 C ASP A 45 12.527 26.148 7.286 1.00 0.00 C ATOM 741 O ASP A 45 11.481 25.664 7.717 1.00 0.00 O ATOM 742 CB ASP A 45 11.448 26.914 5.163 1.00 0.00 C ATOM 743 CG ASP A 45 10.818 28.008 6.002 1.00 0.00 C ATOM 744 OD1 ASP A 45 11.415 28.383 7.032 1.00 0.00 O ATOM 745 OD2 ASP A 45 9.727 28.488 5.629 1.00 0.00 O ATOM 0 H ASP A 45 12.337 24.527 4.854 1.00 0.00 H new ATOM 0 HA ASP A 45 13.535 27.084 5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.671 27.305 4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.732 26.102 5.033 1.00 0.00 H new ATOM 750 N GLN A 46 13.536 26.509 8.072 1.00 0.00 N ATOM 751 CA GLN A 46 13.469 26.354 9.521 1.00 0.00 C ATOM 752 C GLN A 46 12.153 26.900 10.066 1.00 0.00 C ATOM 753 O GLN A 46 11.563 26.324 10.979 1.00 0.00 O ATOM 754 CB GLN A 46 14.646 27.068 10.186 1.00 0.00 C ATOM 755 CG GLN A 46 15.990 26.748 9.552 1.00 0.00 C ATOM 756 CD GLN A 46 16.366 27.726 8.457 1.00 0.00 C ATOM 757 OE1 GLN A 46 16.288 27.278 7.209 1.00 0.00 O flip ATOM 758 NE2 GLN A 46 16.724 28.872 8.729 1.00 0.00 N flip ATOM 0 H GLN A 46 14.409 26.911 7.730 1.00 0.00 H new ATOM 0 HA GLN A 46 13.523 25.290 9.751 1.00 0.00 H new ATOM 0 HB2 GLN A 46 14.480 28.144 10.141 1.00 0.00 H new ATOM 0 HB3 GLN A 46 14.677 26.794 11.241 1.00 0.00 H new ATOM 0 HG2 GLN A 46 16.762 26.756 10.322 1.00 0.00 H new ATOM 0 HG3 GLN A 46 15.962 25.740 9.139 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.770 29.175 9.702 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.975 29.519 7.981 1.00 0.00 H new ATOM 767 N GLN A 47 11.701 28.014 9.499 1.00 0.00 N ATOM 768 CA GLN A 47 10.455 28.638 9.931 1.00 0.00 C ATOM 769 C GLN A 47 9.260 27.749 9.604 1.00 0.00 C ATOM 770 O GLN A 47 8.247 27.774 10.303 1.00 0.00 O ATOM 771 CB GLN A 47 10.287 30.004 9.263 1.00 0.00 C ATOM 772 CG GLN A 47 11.604 30.660 8.880 1.00 0.00 C ATOM 773 CD GLN A 47 12.679 30.467 9.931 1.00 0.00 C ATOM 774 OE1 GLN A 47 13.896 30.176 9.487 1.00 0.00 O flip ATOM 775 NE2 GLN A 47 12.419 30.579 11.130 1.00 0.00 N flip ATOM 0 H GLN A 47 12.178 28.502 8.741 1.00 0.00 H new ATOM 0 HA GLN A 47 10.500 28.772 11.012 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.674 29.889 8.369 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.744 30.665 9.938 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.949 30.247 7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 47 11.442 31.726 8.723 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.469 30.804 11.427 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.153 30.447 11.826 1.00 0.00 H new ATOM 784 N GLU A 48 9.385 26.965 8.538 1.00 0.00 N ATOM 785 CA GLU A 48 8.313 26.069 8.119 1.00 0.00 C ATOM 786 C GLU A 48 8.880 24.761 7.573 1.00 0.00 C ATOM 787 O GLU A 48 9.155 24.644 6.379 1.00 0.00 O ATOM 788 CB GLU A 48 7.441 26.742 7.058 1.00 0.00 C ATOM 789 CG GLU A 48 6.156 27.334 7.613 1.00 0.00 C ATOM 790 CD GLU A 48 5.882 28.730 7.087 1.00 0.00 C ATOM 791 OE1 GLU A 48 6.510 29.117 6.079 1.00 0.00 O ATOM 792 OE2 GLU A 48 5.042 29.435 7.684 1.00 0.00 O ATOM 0 H GLU A 48 10.217 26.932 7.949 1.00 0.00 H new ATOM 0 HA GLU A 48 7.700 25.843 8.992 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.016 27.532 6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.192 26.012 6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.320 26.683 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.215 27.365 8.701 1.00 0.00 H new ATOM 799 N GLN A 49 9.050 23.782 8.456 1.00 0.00 N ATOM 800 CA GLN A 49 9.585 22.484 8.062 1.00 0.00 C ATOM 801 C GLN A 49 8.795 21.901 6.895 1.00 0.00 C ATOM 802 O GLN A 49 9.261 20.990 6.210 1.00 0.00 O ATOM 803 CB GLN A 49 9.556 21.517 9.247 1.00 0.00 C ATOM 804 CG GLN A 49 10.695 21.727 10.232 1.00 0.00 C ATOM 805 CD GLN A 49 10.212 22.194 11.591 1.00 0.00 C ATOM 806 OE1 GLN A 49 9.192 21.725 12.095 1.00 0.00 O ATOM 807 NE2 GLN A 49 10.946 23.124 12.192 1.00 0.00 N ATOM 0 H GLN A 49 8.825 23.863 9.448 1.00 0.00 H new ATOM 0 HA GLN A 49 10.617 22.626 7.743 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.607 21.628 9.772 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.595 20.494 8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.247 20.794 10.348 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.391 22.461 9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.785 23.485 11.737 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.671 23.477 13.108 1.00 0.00 H new ATOM 816 N HIS A 50 7.596 22.432 6.675 1.00 0.00 N ATOM 817 CA HIS A 50 6.741 21.964 5.590 1.00 0.00 C ATOM 818 C HIS A 50 7.129 22.622 4.269 1.00 0.00 C ATOM 819 O HIS A 50 6.380 22.569 3.295 1.00 0.00 O ATOM 820 CB HIS A 50 5.274 22.256 5.907 1.00 0.00 C ATOM 821 CG HIS A 50 4.788 23.557 5.347 1.00 0.00 C ATOM 822 ND1 HIS A 50 4.354 23.880 4.106 1.00 0.00 N flip ATOM 823 CD2 HIS A 50 4.711 24.715 6.091 1.00 0.00 C flip ATOM 824 CE1 HIS A 50 4.025 25.213 4.124 1.00 0.00 C flip ATOM 825 NE2 HIS A 50 4.249 25.694 5.334 1.00 0.00 N flip ATOM 0 H HIS A 50 7.195 23.186 7.233 1.00 0.00 H new ATOM 0 HA HIS A 50 6.877 20.887 5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.658 21.448 5.513 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.139 22.262 6.989 1.00 0.00 H new ATOM 0 HD1 HIS A 50 4.284 23.250 3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.986 24.807 7.131 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.645 25.777 3.285 1.00 0.00 H new ATOM 833 N MET A 51 8.305 23.242 4.246 1.00 0.00 N ATOM 834 CA MET A 51 8.792 23.910 3.045 1.00 0.00 C ATOM 835 C MET A 51 10.268 23.601 2.812 1.00 0.00 C ATOM 836 O MET A 51 11.144 24.219 3.417 1.00 0.00 O ATOM 837 CB MET A 51 8.586 25.422 3.157 1.00 0.00 C ATOM 838 CG MET A 51 9.209 26.206 2.013 1.00 0.00 C ATOM 839 SD MET A 51 8.031 26.563 0.695 1.00 0.00 S ATOM 840 CE MET A 51 7.796 24.930 -0.001 1.00 0.00 C ATOM 0 H MET A 51 8.937 23.295 5.045 1.00 0.00 H new ATOM 0 HA MET A 51 8.222 23.536 2.195 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.517 25.633 3.192 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.011 25.770 4.099 1.00 0.00 H new ATOM 0 HG2 MET A 51 9.614 27.142 2.397 1.00 0.00 H new ATOM 0 HG3 MET A 51 10.046 25.641 1.604 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.568 25.017 -1.063 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.707 24.345 0.128 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.970 24.433 0.508 1.00 0.00 H new ATOM 850 N VAL A 52 10.536 22.642 1.932 1.00 0.00 N ATOM 851 CA VAL A 52 11.905 22.252 1.619 1.00 0.00 C ATOM 852 C VAL A 52 12.434 23.023 0.415 1.00 0.00 C ATOM 853 O VAL A 52 11.786 23.085 -0.629 1.00 0.00 O ATOM 854 CB VAL A 52 12.008 20.742 1.334 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.389 20.392 0.802 1.00 0.00 C ATOM 856 CG2 VAL A 52 11.691 19.940 2.587 1.00 0.00 C ATOM 0 H VAL A 52 9.822 22.121 1.423 1.00 0.00 H new ATOM 0 HA VAL A 52 12.510 22.490 2.494 1.00 0.00 H new ATOM 0 HB VAL A 52 11.275 20.483 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.443 19.321 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.572 20.939 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.143 20.664 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.769 18.875 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.398 20.200 3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.678 20.169 2.919 1.00 0.00 H new ATOM 866 N TYR A 53 13.617 23.609 0.568 1.00 0.00 N ATOM 867 CA TYR A 53 14.233 24.378 -0.506 1.00 0.00 C ATOM 868 C TYR A 53 15.423 23.629 -1.099 1.00 0.00 C ATOM 869 O TYR A 53 16.498 23.576 -0.501 1.00 0.00 O ATOM 870 CB TYR A 53 14.683 25.746 0.011 1.00 0.00 C ATOM 871 CG TYR A 53 13.554 26.740 0.156 1.00 0.00 C ATOM 872 CD1 TYR A 53 12.654 26.955 -0.881 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.386 27.465 1.330 1.00 0.00 C ATOM 874 CE1 TYR A 53 11.621 27.863 -0.753 1.00 0.00 C ATOM 875 CE2 TYR A 53 12.355 28.374 1.467 1.00 0.00 C ATOM 876 CZ TYR A 53 11.475 28.570 0.423 1.00 0.00 C ATOM 877 OH TYR A 53 10.447 29.475 0.555 1.00 0.00 O ATOM 0 H TYR A 53 14.168 23.566 1.425 1.00 0.00 H new ATOM 0 HA TYR A 53 13.489 24.520 -1.290 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.169 25.618 0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.430 26.154 -0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 53 12.764 26.403 -1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.074 27.315 2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.931 28.019 -1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.239 28.928 2.387 1.00 0.00 H new ATOM 0 HH TYR A 53 10.485 29.886 1.444 1.00 0.00 H new ATOM 887 N CYS A 54 15.222 23.053 -2.279 1.00 0.00 N ATOM 888 CA CYS A 54 16.277 22.306 -2.955 1.00 0.00 C ATOM 889 C CYS A 54 17.410 23.233 -3.383 1.00 0.00 C ATOM 890 O CYS A 54 18.585 22.896 -3.249 1.00 0.00 O ATOM 891 CB CYS A 54 15.712 21.574 -4.173 1.00 0.00 C ATOM 892 SG CYS A 54 15.942 22.455 -5.735 1.00 0.00 S ATOM 0 H CYS A 54 14.338 23.089 -2.787 1.00 0.00 H new ATOM 0 HA CYS A 54 16.677 21.573 -2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 54 16.185 20.595 -4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.647 21.402 -4.018 1.00 0.00 H new ATOM 0 HG CYS A 54 15.437 23.649 -5.638 1.00 0.00 H new ATOM 898 N GLY A 55 17.047 24.403 -3.901 1.00 0.00 N ATOM 899 CA GLY A 55 18.045 25.359 -4.343 1.00 0.00 C ATOM 900 C GLY A 55 18.955 24.794 -5.415 1.00 0.00 C ATOM 901 O GLY A 55 18.756 25.043 -6.604 1.00 0.00 O ATOM 0 H GLY A 55 16.080 24.705 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.546 26.249 -4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.646 25.673 -3.489 1.00 0.00 H new ATOM 905 N GLY A 56 19.960 24.032 -4.995 1.00 0.00 N ATOM 906 CA GLY A 56 20.891 23.443 -5.940 1.00 0.00 C ATOM 907 C GLY A 56 21.667 22.285 -5.345 1.00 0.00 C ATOM 908 O GLY A 56 22.759 21.957 -5.810 1.00 0.00 O ATOM 0 H GLY A 56 20.146 23.812 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 56 20.344 23.097 -6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 56 21.589 24.207 -6.281 1.00 0.00 H new ATOM 912 N ASP A 57 21.104 21.666 -4.314 1.00 0.00 N ATOM 913 CA ASP A 57 21.751 20.538 -3.653 1.00 0.00 C ATOM 914 C ASP A 57 21.451 19.234 -4.387 1.00 0.00 C ATOM 915 O ASP A 57 20.755 19.227 -5.403 1.00 0.00 O ATOM 916 CB ASP A 57 21.289 20.437 -2.199 1.00 0.00 C ATOM 917 CG ASP A 57 22.414 20.689 -1.215 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.258 19.787 -1.036 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.450 21.788 -0.623 1.00 0.00 O ATOM 0 H ASP A 57 20.201 21.926 -3.917 1.00 0.00 H new ATOM 0 HA ASP A 57 22.828 20.706 -3.672 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.489 21.157 -2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.870 19.446 -2.022 1.00 0.00 H new ATOM 924 N LEU A 58 21.982 18.133 -3.866 1.00 0.00 N ATOM 925 CA LEU A 58 21.772 16.823 -4.472 1.00 0.00 C ATOM 926 C LEU A 58 20.302 16.612 -4.818 1.00 0.00 C ATOM 927 O LEU A 58 19.965 16.246 -5.945 1.00 0.00 O ATOM 928 CB LEU A 58 22.248 15.719 -3.525 1.00 0.00 C ATOM 929 CG LEU A 58 22.522 14.358 -4.165 1.00 0.00 C ATOM 930 CD1 LEU A 58 23.130 13.404 -3.148 1.00 0.00 C ATOM 931 CD2 LEU A 58 21.243 13.775 -4.748 1.00 0.00 C ATOM 0 H LEU A 58 22.561 18.122 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 58 22.353 16.779 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 58 23.160 16.058 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.497 15.587 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 58 23.237 14.496 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 58 23.319 12.440 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 58 24.069 13.816 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 58 22.439 13.271 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 58 21.457 12.806 -5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 58 20.505 13.651 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 58 20.849 14.450 -5.508 1.00 0.00 H new ATOM 943 N LEU A 59 19.430 16.847 -3.844 1.00 0.00 N ATOM 944 CA LEU A 59 17.994 16.685 -4.046 1.00 0.00 C ATOM 945 C LEU A 59 17.495 17.601 -5.159 1.00 0.00 C ATOM 946 O LEU A 59 16.656 17.210 -5.969 1.00 0.00 O ATOM 947 CB LEU A 59 17.240 16.982 -2.749 1.00 0.00 C ATOM 948 CG LEU A 59 17.128 18.457 -2.360 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.036 18.653 -1.319 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.461 18.974 -1.841 1.00 0.00 C ATOM 0 H LEU A 59 19.692 17.150 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 59 17.807 15.652 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.234 16.572 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.732 16.449 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 59 16.861 19.028 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.971 19.708 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.081 18.321 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.273 18.070 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.363 20.025 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.758 18.399 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 59 19.219 18.870 -2.617 1.00 0.00 H new ATOM 962 N GLY A 60 18.019 18.823 -5.194 1.00 0.00 N ATOM 963 CA GLY A 60 17.616 19.774 -6.213 1.00 0.00 C ATOM 964 C GLY A 60 17.897 19.275 -7.616 1.00 0.00 C ATOM 965 O GLY A 60 17.010 19.271 -8.469 1.00 0.00 O ATOM 0 H GLY A 60 18.715 19.171 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.551 19.981 -6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 60 18.141 20.716 -6.054 1.00 0.00 H new ATOM 969 N GLU A 61 19.135 18.855 -7.856 1.00 0.00 N ATOM 970 CA GLU A 61 19.530 18.354 -9.167 1.00 0.00 C ATOM 971 C GLU A 61 18.719 17.118 -9.545 1.00 0.00 C ATOM 972 O GLU A 61 18.227 17.004 -10.668 1.00 0.00 O ATOM 973 CB GLU A 61 21.024 18.021 -9.182 1.00 0.00 C ATOM 974 CG GLU A 61 21.455 17.111 -8.044 1.00 0.00 C ATOM 975 CD GLU A 61 22.934 16.778 -8.092 1.00 0.00 C ATOM 976 OE1 GLU A 61 23.748 17.712 -8.250 1.00 0.00 O ATOM 977 OE2 GLU A 61 23.277 15.584 -7.972 1.00 0.00 O ATOM 0 H GLU A 61 19.881 18.852 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 61 19.332 19.136 -9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 61 21.272 17.545 -10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 61 21.595 18.948 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 61 21.225 17.591 -7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.877 16.188 -8.083 1.00 0.00 H new ATOM 984 N LEU A 62 18.583 16.195 -8.599 1.00 0.00 N ATOM 985 CA LEU A 62 17.832 14.967 -8.831 1.00 0.00 C ATOM 986 C LEU A 62 16.430 15.275 -9.346 1.00 0.00 C ATOM 987 O LEU A 62 16.002 14.741 -10.371 1.00 0.00 O ATOM 988 CB LEU A 62 17.746 14.147 -7.543 1.00 0.00 C ATOM 989 CG LEU A 62 17.964 12.641 -7.689 1.00 0.00 C ATOM 990 CD1 LEU A 62 17.303 12.127 -8.959 1.00 0.00 C ATOM 991 CD2 LEU A 62 19.450 12.314 -7.690 1.00 0.00 C ATOM 0 H LEU A 62 18.983 16.274 -7.664 1.00 0.00 H new ATOM 0 HA LEU A 62 18.358 14.387 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.484 14.534 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.765 14.310 -7.097 1.00 0.00 H new ATOM 0 HG LEU A 62 17.503 12.143 -6.836 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.469 11.053 -9.046 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.232 12.327 -8.918 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.734 12.632 -9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.586 11.238 -7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.934 12.824 -8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.896 12.646 -6.753 1.00 0.00 H new ATOM 1003 N LEU A 63 15.720 16.140 -8.631 1.00 0.00 N ATOM 1004 CA LEU A 63 14.365 16.522 -9.016 1.00 0.00 C ATOM 1005 C LEU A 63 14.382 17.411 -10.255 1.00 0.00 C ATOM 1006 O LEU A 63 13.808 17.066 -11.287 1.00 0.00 O ATOM 1007 CB LEU A 63 13.671 17.248 -7.862 1.00 0.00 C ATOM 1008 CG LEU A 63 12.675 16.420 -7.051 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.642 16.891 -5.605 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.287 16.497 -7.670 1.00 0.00 C ATOM 0 H LEU A 63 16.060 16.591 -7.781 1.00 0.00 H new ATOM 0 HA LEU A 63 13.810 15.614 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.436 17.625 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.148 18.115 -8.266 1.00 0.00 H new ATOM 0 HG LEU A 63 13.000 15.380 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.927 16.290 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.633 16.783 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.342 17.938 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.591 15.901 -7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.953 17.534 -7.687 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.321 16.110 -8.689 1.00 0.00 H new ATOM 1022 N GLY A 64 15.047 18.557 -10.146 1.00 0.00 N ATOM 1023 CA GLY A 64 15.128 19.477 -11.265 1.00 0.00 C ATOM 1024 C GLY A 64 14.254 20.701 -11.075 1.00 0.00 C ATOM 1025 O GLY A 64 13.952 21.412 -12.033 1.00 0.00 O ATOM 0 H GLY A 64 15.531 18.865 -9.303 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.163 19.791 -11.399 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.831 18.961 -12.178 1.00 0.00 H new ATOM 1029 N ARG A 65 13.844 20.946 -9.835 1.00 0.00 N ATOM 1030 CA ARG A 65 12.996 22.090 -9.522 1.00 0.00 C ATOM 1031 C ARG A 65 13.692 23.032 -8.544 1.00 0.00 C ATOM 1032 O ARG A 65 14.889 22.901 -8.288 1.00 0.00 O ATOM 1033 CB ARG A 65 11.665 21.620 -8.934 1.00 0.00 C ATOM 1034 CG ARG A 65 10.961 20.571 -9.780 1.00 0.00 C ATOM 1035 CD ARG A 65 11.465 19.172 -9.464 1.00 0.00 C ATOM 1036 NE ARG A 65 10.682 18.142 -10.142 1.00 0.00 N ATOM 1037 CZ ARG A 65 9.423 17.854 -9.833 1.00 0.00 C ATOM 1038 NH1 ARG A 65 8.808 18.515 -8.862 1.00 0.00 N ATOM 1039 NH2 ARG A 65 8.776 16.903 -10.496 1.00 0.00 N ATOM 0 H ARG A 65 14.085 20.367 -9.030 1.00 0.00 H new ATOM 0 HA ARG A 65 12.805 22.632 -10.448 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.841 21.213 -7.938 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.006 22.480 -8.815 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.887 20.621 -9.603 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.121 20.787 -10.836 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.510 19.087 -9.762 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.426 19.007 -8.387 1.00 0.00 H new ATOM 0 HE ARG A 65 11.127 17.615 -10.894 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.302 19.246 -8.351 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.841 18.292 -8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.246 16.393 -11.244 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.809 16.683 -10.258 1.00 0.00 H new ATOM 1053 N GLN A 66 12.935 23.980 -8.003 1.00 0.00 N ATOM 1054 CA GLN A 66 13.480 24.944 -7.054 1.00 0.00 C ATOM 1055 C GLN A 66 13.238 24.492 -5.618 1.00 0.00 C ATOM 1056 O GLN A 66 14.167 24.425 -4.813 1.00 0.00 O ATOM 1057 CB GLN A 66 12.856 26.322 -7.279 1.00 0.00 C ATOM 1058 CG GLN A 66 12.731 26.702 -8.746 1.00 0.00 C ATOM 1059 CD GLN A 66 12.801 28.200 -8.969 1.00 0.00 C ATOM 1060 OE1 GLN A 66 13.546 28.906 -8.289 1.00 0.00 O ATOM 1061 NE2 GLN A 66 12.024 28.693 -9.926 1.00 0.00 N ATOM 0 H GLN A 66 11.943 24.102 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 66 14.556 25.008 -7.219 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.867 26.343 -6.822 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.459 27.072 -6.768 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.526 26.217 -9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.786 26.324 -9.136 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.422 28.071 -10.465 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.029 29.694 -10.122 1.00 0.00 H new ATOM 1070 N SER A 67 11.985 24.181 -5.304 1.00 0.00 N ATOM 1071 CA SER A 67 11.620 23.739 -3.963 1.00 0.00 C ATOM 1072 C SER A 67 10.409 22.811 -4.008 1.00 0.00 C ATOM 1073 O SER A 67 9.900 22.488 -5.081 1.00 0.00 O ATOM 1074 CB SER A 67 11.320 24.944 -3.070 1.00 0.00 C ATOM 1075 OG SER A 67 9.929 25.211 -3.023 1.00 0.00 O ATOM 0 H SER A 67 11.205 24.227 -5.960 1.00 0.00 H new ATOM 0 HA SER A 67 12.463 23.188 -3.546 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.691 24.755 -2.063 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.849 25.820 -3.446 1.00 0.00 H new ATOM 0 HG SER A 67 9.764 25.985 -2.444 1.00 0.00 H new ATOM 1081 N PHE A 68 9.954 22.386 -2.834 1.00 0.00 N ATOM 1082 CA PHE A 68 8.804 21.494 -2.738 1.00 0.00 C ATOM 1083 C PHE A 68 8.347 21.351 -1.289 1.00 0.00 C ATOM 1084 O PHE A 68 9.160 21.370 -0.366 1.00 0.00 O ATOM 1085 CB PHE A 68 9.148 20.119 -3.314 1.00 0.00 C ATOM 1086 CG PHE A 68 10.377 19.505 -2.706 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.384 19.105 -1.380 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.525 19.328 -3.461 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.513 18.541 -0.818 1.00 0.00 C ATOM 1090 CE2 PHE A 68 12.658 18.763 -2.905 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.651 18.368 -1.582 1.00 0.00 C ATOM 0 H PHE A 68 10.364 22.645 -1.936 1.00 0.00 H new ATOM 0 HA PHE A 68 7.989 21.929 -3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.303 19.448 -3.161 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.292 20.210 -4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.497 19.236 -0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.535 19.635 -4.496 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.506 18.236 0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.547 18.631 -3.504 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.534 17.925 -1.145 1.00 0.00 H new ATOM 1101 N SER A 69 7.039 21.209 -1.099 1.00 0.00 N ATOM 1102 CA SER A 69 6.471 21.067 0.237 1.00 0.00 C ATOM 1103 C SER A 69 6.586 19.627 0.725 1.00 0.00 C ATOM 1104 O SER A 69 6.325 18.683 -0.021 1.00 0.00 O ATOM 1105 CB SER A 69 5.005 21.504 0.240 1.00 0.00 C ATOM 1106 OG SER A 69 4.539 21.735 -1.078 1.00 0.00 O ATOM 0 H SER A 69 6.353 21.189 -1.853 1.00 0.00 H new ATOM 0 HA SER A 69 7.034 21.708 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.394 20.736 0.716 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.894 22.412 0.833 1.00 0.00 H new ATOM 0 HG SER A 69 3.599 22.011 -1.049 1.00 0.00 H new ATOM 1112 N VAL A 70 6.978 19.465 1.985 1.00 0.00 N ATOM 1113 CA VAL A 70 7.127 18.140 2.576 1.00 0.00 C ATOM 1114 C VAL A 70 5.771 17.546 2.941 1.00 0.00 C ATOM 1115 O VAL A 70 5.524 16.358 2.731 1.00 0.00 O ATOM 1116 CB VAL A 70 8.013 18.183 3.835 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.931 19.395 3.801 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.153 18.190 5.090 1.00 0.00 C ATOM 0 H VAL A 70 7.198 20.235 2.616 1.00 0.00 H new ATOM 0 HA VAL A 70 7.606 17.511 1.826 1.00 0.00 H new ATOM 0 HB VAL A 70 8.634 17.288 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.549 19.408 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.571 19.342 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.332 20.304 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.795 18.221 5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.505 19.067 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.542 17.288 5.117 1.00 0.00 H new ATOM 1128 N LYS A 71 4.894 18.381 3.489 1.00 0.00 N ATOM 1129 CA LYS A 71 3.561 17.940 3.882 1.00 0.00 C ATOM 1130 C LYS A 71 2.738 17.540 2.662 1.00 0.00 C ATOM 1131 O LYS A 71 1.652 16.974 2.793 1.00 0.00 O ATOM 1132 CB LYS A 71 2.843 19.049 4.654 1.00 0.00 C ATOM 1133 CG LYS A 71 2.133 18.558 5.904 1.00 0.00 C ATOM 1134 CD LYS A 71 1.323 19.666 6.557 1.00 0.00 C ATOM 1135 CE LYS A 71 2.222 20.701 7.214 1.00 0.00 C ATOM 1136 NZ LYS A 71 1.605 22.056 7.210 1.00 0.00 N ATOM 0 H LYS A 71 5.083 19.367 3.671 1.00 0.00 H new ATOM 0 HA LYS A 71 3.669 17.068 4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.568 19.813 4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.116 19.526 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.475 17.728 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.867 18.176 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.697 20.150 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.654 19.238 7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.431 20.401 8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.178 20.736 6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.250 22.732 7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.428 22.354 6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.705 22.029 7.731 1.00 0.00 H new ATOM 1150 N ASP A 72 3.261 17.837 1.478 1.00 0.00 N ATOM 1151 CA ASP A 72 2.576 17.505 0.234 1.00 0.00 C ATOM 1152 C ASP A 72 3.426 16.573 -0.623 1.00 0.00 C ATOM 1153 O ASP A 72 4.287 17.007 -1.389 1.00 0.00 O ATOM 1154 CB ASP A 72 2.247 18.779 -0.547 1.00 0.00 C ATOM 1155 CG ASP A 72 1.548 18.488 -1.860 1.00 0.00 C ATOM 1156 OD1 ASP A 72 1.112 17.334 -2.058 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.435 19.415 -2.689 1.00 0.00 O ATOM 0 H ASP A 72 4.157 18.307 1.353 1.00 0.00 H new ATOM 0 HA ASP A 72 1.648 16.992 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.614 19.423 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.167 19.330 -0.743 1.00 0.00 H new ATOM 1162 N PRO A 73 3.181 15.261 -0.493 1.00 0.00 N ATOM 1163 CA PRO A 73 3.914 14.240 -1.247 1.00 0.00 C ATOM 1164 C PRO A 73 3.567 14.257 -2.732 1.00 0.00 C ATOM 1165 O PRO A 73 3.132 13.249 -3.289 1.00 0.00 O ATOM 1166 CB PRO A 73 3.455 12.928 -0.606 1.00 0.00 C ATOM 1167 CG PRO A 73 2.115 13.234 -0.033 1.00 0.00 C ATOM 1168 CD PRO A 73 2.169 14.673 0.401 1.00 0.00 C ATOM 0 HA PRO A 73 4.992 14.397 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.397 12.127 -1.343 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.150 12.601 0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.330 13.079 -0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.893 12.580 0.810 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.202 15.163 0.290 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.455 14.766 1.449 1.00 0.00 H new ATOM 1176 N SER A 74 3.764 15.407 -3.368 1.00 0.00 N ATOM 1177 CA SER A 74 3.469 15.556 -4.789 1.00 0.00 C ATOM 1178 C SER A 74 4.734 15.389 -5.626 1.00 0.00 C ATOM 1179 O SER A 74 4.903 14.409 -6.353 1.00 0.00 O ATOM 1180 CB SER A 74 2.841 16.924 -5.060 1.00 0.00 C ATOM 1181 OG SER A 74 1.433 16.822 -5.186 1.00 0.00 O ATOM 0 H SER A 74 4.127 16.250 -2.922 1.00 0.00 H new ATOM 0 HA SER A 74 2.761 14.777 -5.072 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.088 17.608 -4.249 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.261 17.347 -5.973 1.00 0.00 H new ATOM 0 HG SER A 74 1.016 16.945 -4.308 1.00 0.00 H new ATOM 1187 N PRO A 75 5.644 16.368 -5.523 1.00 0.00 N ATOM 1188 CA PRO A 75 6.909 16.354 -6.263 1.00 0.00 C ATOM 1189 C PRO A 75 7.865 15.279 -5.756 1.00 0.00 C ATOM 1190 O PRO A 75 8.703 14.775 -6.506 1.00 0.00 O ATOM 1191 CB PRO A 75 7.487 17.748 -6.005 1.00 0.00 C ATOM 1192 CG PRO A 75 6.883 18.175 -4.713 1.00 0.00 C ATOM 1193 CD PRO A 75 5.508 17.565 -4.677 1.00 0.00 C ATOM 0 HA PRO A 75 6.761 16.128 -7.319 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.575 17.720 -5.943 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.231 18.438 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.484 17.834 -3.870 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.830 19.262 -4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.209 17.307 -3.661 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.754 18.249 -5.067 1.00 0.00 H new ATOM 1201 N LEU A 76 7.734 14.931 -4.481 1.00 0.00 N ATOM 1202 CA LEU A 76 8.586 13.915 -3.874 1.00 0.00 C ATOM 1203 C LEU A 76 8.451 12.583 -4.606 1.00 0.00 C ATOM 1204 O LEU A 76 9.423 12.065 -5.156 1.00 0.00 O ATOM 1205 CB LEU A 76 8.227 13.736 -2.397 1.00 0.00 C ATOM 1206 CG LEU A 76 9.202 12.901 -1.566 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.361 13.758 -1.082 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.483 12.258 -0.389 1.00 0.00 C ATOM 0 H LEU A 76 7.046 15.338 -3.847 1.00 0.00 H new ATOM 0 HA LEU A 76 9.620 14.249 -3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.145 14.723 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.241 13.274 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 76 9.603 12.109 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.044 13.147 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.892 14.171 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.979 14.572 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.192 11.667 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.054 13.035 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.688 11.610 -0.758 1.00 0.00 H new ATOM 1220 N TYR A 77 7.241 12.036 -4.610 1.00 0.00 N ATOM 1221 CA TYR A 77 6.979 10.765 -5.274 1.00 0.00 C ATOM 1222 C TYR A 77 7.404 10.818 -6.739 1.00 0.00 C ATOM 1223 O TYR A 77 8.059 9.904 -7.240 1.00 0.00 O ATOM 1224 CB TYR A 77 5.495 10.410 -5.175 1.00 0.00 C ATOM 1225 CG TYR A 77 5.126 9.701 -3.892 1.00 0.00 C ATOM 1226 CD1 TYR A 77 5.428 8.357 -3.705 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.477 10.375 -2.865 1.00 0.00 C ATOM 1228 CE1 TYR A 77 5.093 7.706 -2.534 1.00 0.00 C ATOM 1229 CE2 TYR A 77 4.139 9.731 -1.690 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.448 8.397 -1.530 1.00 0.00 C ATOM 1231 OH TYR A 77 4.114 7.752 -0.361 1.00 0.00 O ATOM 0 H TYR A 77 6.426 12.453 -4.161 1.00 0.00 H new ATOM 0 HA TYR A 77 7.564 9.995 -4.772 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.905 11.323 -5.258 1.00 0.00 H new ATOM 0 HB3 TYR A 77 5.224 9.778 -6.020 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.933 7.813 -4.489 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.233 11.420 -2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.335 6.661 -2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.635 10.270 -0.901 1.00 0.00 H new ATOM 0 HH TYR A 77 4.744 7.018 -0.201 1.00 0.00 H new ATOM 1241 N ASP A 78 7.027 11.895 -7.418 1.00 0.00 N ATOM 1242 CA ASP A 78 7.370 12.070 -8.825 1.00 0.00 C ATOM 1243 C ASP A 78 8.868 11.888 -9.046 1.00 0.00 C ATOM 1244 O ASP A 78 9.302 11.494 -10.128 1.00 0.00 O ATOM 1245 CB ASP A 78 6.935 13.454 -9.309 1.00 0.00 C ATOM 1246 CG ASP A 78 6.350 13.421 -10.708 1.00 0.00 C ATOM 1247 OD1 ASP A 78 6.623 12.449 -11.442 1.00 0.00 O ATOM 1248 OD2 ASP A 78 5.619 14.367 -11.067 1.00 0.00 O ATOM 0 H ASP A 78 6.484 12.660 -7.018 1.00 0.00 H new ATOM 0 HA ASP A 78 6.841 11.310 -9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.196 13.861 -8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.792 14.127 -9.292 1.00 0.00 H new ATOM 1253 N MET A 79 9.653 12.178 -8.014 1.00 0.00 N ATOM 1254 CA MET A 79 11.103 12.045 -8.096 1.00 0.00 C ATOM 1255 C MET A 79 11.530 10.597 -7.880 1.00 0.00 C ATOM 1256 O MET A 79 12.291 10.038 -8.671 1.00 0.00 O ATOM 1257 CB MET A 79 11.779 12.948 -7.061 1.00 0.00 C ATOM 1258 CG MET A 79 13.247 12.623 -6.837 1.00 0.00 C ATOM 1259 SD MET A 79 13.602 12.153 -5.133 1.00 0.00 S ATOM 1260 CE MET A 79 12.754 13.454 -4.240 1.00 0.00 C ATOM 0 H MET A 79 9.310 12.507 -7.111 1.00 0.00 H new ATOM 0 HA MET A 79 11.415 12.352 -9.094 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.690 13.986 -7.383 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.248 12.862 -6.113 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.541 11.811 -7.502 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.852 13.489 -7.104 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.278 13.656 -3.306 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.734 14.359 -4.847 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.733 13.140 -4.022 1.00 0.00 H new ATOM 1270 N LEU A 80 11.036 9.993 -6.804 1.00 0.00 N ATOM 1271 CA LEU A 80 11.367 8.609 -6.484 1.00 0.00 C ATOM 1272 C LEU A 80 11.100 7.696 -7.676 1.00 0.00 C ATOM 1273 O LEU A 80 11.832 6.733 -7.908 1.00 0.00 O ATOM 1274 CB LEU A 80 10.557 8.137 -5.275 1.00 0.00 C ATOM 1275 CG LEU A 80 11.049 8.617 -3.909 1.00 0.00 C ATOM 1276 CD1 LEU A 80 11.076 10.137 -3.855 1.00 0.00 C ATOM 1277 CD2 LEU A 80 10.171 8.058 -2.799 1.00 0.00 C ATOM 0 H LEU A 80 10.405 10.440 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 80 12.429 8.561 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.526 8.465 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.547 7.047 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 80 12.065 8.250 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.429 10.460 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.747 10.517 -4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.072 10.525 -4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.536 8.410 -1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.144 8.394 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.203 6.969 -2.824 1.00 0.00 H new ATOM 1289 N ARG A 81 10.051 8.006 -8.430 1.00 0.00 N ATOM 1290 CA ARG A 81 9.689 7.214 -9.599 1.00 0.00 C ATOM 1291 C ARG A 81 10.934 6.671 -10.295 1.00 0.00 C ATOM 1292 O ARG A 81 11.090 5.461 -10.457 1.00 0.00 O ATOM 1293 CB ARG A 81 8.870 8.056 -10.579 1.00 0.00 C ATOM 1294 CG ARG A 81 7.399 8.159 -10.212 1.00 0.00 C ATOM 1295 CD ARG A 81 6.757 9.395 -10.823 1.00 0.00 C ATOM 1296 NE ARG A 81 6.210 9.128 -12.150 1.00 0.00 N ATOM 1297 CZ ARG A 81 5.030 8.553 -12.357 1.00 0.00 C ATOM 1298 NH1 ARG A 81 4.278 8.187 -11.328 1.00 0.00 N ATOM 1299 NH2 ARG A 81 4.601 8.344 -13.595 1.00 0.00 N ATOM 0 H ARG A 81 9.436 8.800 -8.252 1.00 0.00 H new ATOM 0 HA ARG A 81 9.085 6.371 -9.262 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.295 9.059 -10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.958 7.625 -11.576 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.874 7.268 -10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.295 8.192 -9.127 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.962 9.752 -10.168 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.497 10.193 -10.890 1.00 0.00 H new ATOM 0 HE ARG A 81 6.764 9.398 -12.963 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.605 8.347 -10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.373 7.746 -11.489 1.00 0.00 H new ATOM 0 HH21 ARG A 81 5.177 8.625 -14.389 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.695 7.903 -13.753 1.00 0.00 H new ATOM 1313 N LYS A 82 11.817 7.575 -10.705 1.00 0.00 N ATOM 1314 CA LYS A 82 13.049 7.189 -11.383 1.00 0.00 C ATOM 1315 C LYS A 82 14.257 7.393 -10.474 1.00 0.00 C ATOM 1316 O LYS A 82 15.388 7.096 -10.854 1.00 0.00 O ATOM 1317 CB LYS A 82 13.223 7.999 -12.669 1.00 0.00 C ATOM 1318 CG LYS A 82 14.029 9.272 -12.482 1.00 0.00 C ATOM 1319 CD LYS A 82 13.379 10.201 -11.470 1.00 0.00 C ATOM 1320 CE LYS A 82 12.001 10.650 -11.931 1.00 0.00 C ATOM 1321 NZ LYS A 82 11.911 12.132 -12.047 1.00 0.00 N ATOM 0 H LYS A 82 11.702 8.581 -10.580 1.00 0.00 H new ATOM 0 HA LYS A 82 12.980 6.131 -11.634 1.00 0.00 H new ATOM 0 HB2 LYS A 82 13.712 7.376 -13.417 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.239 8.256 -13.062 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.037 9.020 -12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.126 9.786 -13.438 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.295 9.693 -10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.014 11.073 -11.315 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.775 10.196 -12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.249 10.294 -11.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.947 12.400 -12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.135 12.566 -11.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.588 12.466 -12.762 1.00 0.00 H new ATOM 1335 N ASN A 83 14.008 7.900 -9.271 1.00 0.00 N ATOM 1336 CA ASN A 83 15.076 8.142 -8.308 1.00 0.00 C ATOM 1337 C ASN A 83 15.271 6.933 -7.397 1.00 0.00 C ATOM 1338 O ASN A 83 16.385 6.427 -7.250 1.00 0.00 O ATOM 1339 CB ASN A 83 14.762 9.382 -7.468 1.00 0.00 C ATOM 1340 CG ASN A 83 15.483 9.375 -6.134 1.00 0.00 C ATOM 1341 OD1 ASN A 83 16.526 10.009 -5.977 1.00 0.00 O ATOM 1342 ND2 ASN A 83 14.930 8.654 -5.166 1.00 0.00 N ATOM 0 H ASN A 83 13.076 8.151 -8.940 1.00 0.00 H new ATOM 0 HA ASN A 83 16.000 8.311 -8.862 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.043 10.276 -8.025 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.687 9.439 -7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.371 8.610 -4.247 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.064 8.144 -5.341 1.00 0.00 H new ATOM 1349 N LEU A 84 14.183 6.476 -6.789 1.00 0.00 N ATOM 1350 CA LEU A 84 14.234 5.326 -5.893 1.00 0.00 C ATOM 1351 C LEU A 84 14.116 4.021 -6.674 1.00 0.00 C ATOM 1352 O LEU A 84 13.418 3.952 -7.686 1.00 0.00 O ATOM 1353 CB LEU A 84 13.114 5.414 -4.854 1.00 0.00 C ATOM 1354 CG LEU A 84 12.166 4.216 -4.786 1.00 0.00 C ATOM 1355 CD1 LEU A 84 11.207 4.361 -3.615 1.00 0.00 C ATOM 1356 CD2 LEU A 84 11.398 4.070 -6.092 1.00 0.00 C ATOM 0 H LEU A 84 13.255 6.884 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 84 15.197 5.337 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.567 5.550 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 84 12.524 6.307 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 84 12.759 3.315 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.540 3.500 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.774 4.417 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.619 5.271 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.728 3.213 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.815 4.973 -6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 84 12.100 3.920 -6.912 1.00 0.00 H new ATOM 1368 N VAL A 85 14.802 2.987 -6.196 1.00 0.00 N ATOM 1369 CA VAL A 85 14.772 1.683 -6.848 1.00 0.00 C ATOM 1370 C VAL A 85 13.633 0.825 -6.309 1.00 0.00 C ATOM 1371 O VAL A 85 13.203 0.990 -5.167 1.00 0.00 O ATOM 1372 CB VAL A 85 16.102 0.930 -6.657 1.00 0.00 C ATOM 1373 CG1 VAL A 85 15.846 -0.541 -6.365 1.00 0.00 C ATOM 1374 CG2 VAL A 85 16.986 1.092 -7.884 1.00 0.00 C ATOM 0 H VAL A 85 15.385 3.027 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 85 14.615 1.864 -7.911 1.00 0.00 H new ATOM 0 HB VAL A 85 16.623 1.360 -5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.797 -1.057 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.254 -0.634 -5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 85 15.303 -0.988 -7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.922 0.554 -7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.473 0.689 -8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.198 2.149 -8.043 1.00 0.00 H new ATOM 1384 N THR A 86 13.147 -0.093 -7.138 1.00 0.00 N ATOM 1385 CA THR A 86 12.057 -0.977 -6.746 1.00 0.00 C ATOM 1386 C THR A 86 12.134 -2.307 -7.487 1.00 0.00 C ATOM 1387 O THR A 86 12.020 -2.355 -8.712 1.00 0.00 O ATOM 1388 CB THR A 86 10.685 -0.331 -7.016 1.00 0.00 C ATOM 1389 OG1 THR A 86 10.763 0.523 -8.162 1.00 0.00 O ATOM 1390 CG2 THR A 86 10.218 0.471 -5.810 1.00 0.00 C ATOM 0 H THR A 86 13.492 -0.244 -8.086 1.00 0.00 H new ATOM 0 HA THR A 86 12.163 -1.154 -5.676 1.00 0.00 H new ATOM 0 HB THR A 86 9.964 -1.126 -7.205 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.886 0.929 -8.328 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.247 0.918 -6.024 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.132 -0.188 -4.946 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.940 1.258 -5.595 1.00 0.00 H new ATOM 1398 N LEU A 87 12.328 -3.386 -6.736 1.00 0.00 N ATOM 1399 CA LEU A 87 12.420 -4.719 -7.322 1.00 0.00 C ATOM 1400 C LEU A 87 11.117 -5.489 -7.131 1.00 0.00 C ATOM 1401 O LEU A 87 10.972 -6.256 -6.180 1.00 0.00 O ATOM 1402 CB LEU A 87 13.581 -5.494 -6.696 1.00 0.00 C ATOM 1403 CG LEU A 87 14.007 -5.049 -5.297 1.00 0.00 C ATOM 1404 CD1 LEU A 87 14.920 -6.087 -4.661 1.00 0.00 C ATOM 1405 CD2 LEU A 87 14.698 -3.694 -5.355 1.00 0.00 C ATOM 0 H LEU A 87 12.425 -3.364 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 87 12.601 -4.607 -8.391 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.307 -6.548 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 87 14.443 -5.416 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 87 13.114 -4.953 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.213 -5.753 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.392 -7.038 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 87 15.810 -6.215 -5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 87 14.994 -3.393 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.582 -3.763 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.013 -2.954 -5.768 1.00 0.00 H new ATOM 1417 N ALA A 88 10.173 -5.280 -8.043 1.00 0.00 N ATOM 1418 CA ALA A 88 8.884 -5.957 -7.976 1.00 0.00 C ATOM 1419 C ALA A 88 8.156 -5.884 -9.315 1.00 0.00 C ATOM 1420 O ALA A 88 8.680 -5.345 -10.290 1.00 0.00 O ATOM 1421 CB ALA A 88 8.027 -5.354 -6.874 1.00 0.00 C ATOM 0 H ALA A 88 10.277 -4.648 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 88 9.065 -7.007 -7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.067 -5.870 -6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.536 -5.463 -5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.862 -4.296 -7.079 1.00 0.00 H new ATOM 1427 N THR A 89 6.945 -6.430 -9.355 1.00 0.00 N ATOM 1428 CA THR A 89 6.146 -6.429 -10.574 1.00 0.00 C ATOM 1429 C THR A 89 5.447 -5.089 -10.771 1.00 0.00 C ATOM 1430 O THR A 89 4.790 -4.611 -9.847 1.00 0.00 O ATOM 1431 CB THR A 89 5.089 -7.549 -10.554 1.00 0.00 C ATOM 1432 OG1 THR A 89 5.459 -8.555 -9.605 1.00 0.00 O ATOM 1433 CG2 THR A 89 4.938 -8.175 -11.932 1.00 0.00 C ATOM 0 H THR A 89 6.496 -6.879 -8.557 1.00 0.00 H new ATOM 0 HA THR A 89 6.833 -6.603 -11.403 1.00 0.00 H new ATOM 0 HB THR A 89 4.133 -7.112 -10.265 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.781 -9.263 -9.597 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.186 -8.963 -11.893 1.00 0.00 H new ATOM 0 HG22 THR A 89 4.627 -7.412 -12.646 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.892 -8.599 -12.246 1.00 0.00 H new TER 1441 THR A 89 ATOM 1442 N SER B 115 3.504 15.795 17.798 1.00 0.00 N ATOM 1443 CA SER B 115 4.945 15.647 17.969 1.00 0.00 C ATOM 1444 C SER B 115 5.679 16.897 17.492 1.00 0.00 C ATOM 1445 O SER B 115 6.444 16.850 16.529 1.00 0.00 O ATOM 1446 CB SER B 115 5.447 14.423 17.202 1.00 0.00 C ATOM 1447 OG SER B 115 4.910 13.228 17.740 1.00 0.00 O ATOM 0 HA SER B 115 5.149 15.510 19.031 1.00 0.00 H new ATOM 0 HB2 SER B 115 5.169 14.509 16.152 1.00 0.00 H new ATOM 0 HB3 SER B 115 6.536 14.386 17.242 1.00 0.00 H new ATOM 0 HG SER B 115 4.011 13.402 18.090 1.00 0.00 H new ATOM 1453 N GLN B 116 5.440 18.013 18.174 1.00 0.00 N ATOM 1454 CA GLN B 116 6.078 19.275 17.820 1.00 0.00 C ATOM 1455 C GLN B 116 7.542 19.283 18.246 1.00 0.00 C ATOM 1456 O GLN B 116 7.855 19.123 19.425 1.00 0.00 O ATOM 1457 CB GLN B 116 5.338 20.445 18.472 1.00 0.00 C ATOM 1458 CG GLN B 116 5.061 21.596 17.519 1.00 0.00 C ATOM 1459 CD GLN B 116 6.252 21.928 16.642 1.00 0.00 C ATOM 1460 OE1 GLN B 116 7.444 21.902 17.228 1.00 0.00 O flip ATOM 1461 NE2 GLN B 116 6.104 22.206 15.452 1.00 0.00 N flip ATOM 0 H GLN B 116 4.810 18.068 18.974 1.00 0.00 H new ATOM 0 HA GLN B 116 6.034 19.385 16.736 1.00 0.00 H new ATOM 0 HB2 GLN B 116 4.393 20.085 18.878 1.00 0.00 H new ATOM 0 HB3 GLN B 116 5.927 20.813 19.312 1.00 0.00 H new ATOM 0 HG2 GLN B 116 4.209 21.343 16.888 1.00 0.00 H new ATOM 0 HG3 GLN B 116 4.781 22.479 18.094 1.00 0.00 H new ATOM 0 HE21 GLN B 116 5.170 22.214 15.043 1.00 0.00 H new ATOM 0 HE22 GLN B 116 6.916 22.428 14.875 1.00 0.00 H new ATOM 1470 N GLU B 117 8.434 19.471 17.278 1.00 0.00 N ATOM 1471 CA GLU B 117 9.865 19.499 17.555 1.00 0.00 C ATOM 1472 C GLU B 117 10.641 20.037 16.356 1.00 0.00 C ATOM 1473 O GLU B 117 11.476 20.932 16.491 1.00 0.00 O ATOM 1474 CB GLU B 117 10.366 18.098 17.913 1.00 0.00 C ATOM 1475 CG GLU B 117 11.703 18.095 18.633 1.00 0.00 C ATOM 1476 CD GLU B 117 11.635 18.763 19.993 1.00 0.00 C ATOM 1477 OE1 GLU B 117 10.747 18.397 20.790 1.00 0.00 O ATOM 1478 OE2 GLU B 117 12.472 19.651 20.259 1.00 0.00 O ATOM 0 H GLU B 117 8.191 19.606 16.297 1.00 0.00 H new ATOM 0 HA GLU B 117 10.032 20.164 18.402 1.00 0.00 H new ATOM 0 HB2 GLU B 117 9.624 17.605 18.541 1.00 0.00 H new ATOM 0 HB3 GLU B 117 10.453 17.508 17.000 1.00 0.00 H new ATOM 0 HG2 GLU B 117 12.044 17.067 18.754 1.00 0.00 H new ATOM 0 HG3 GLU B 117 12.444 18.606 18.018 1.00 0.00 H new ATOM 1485 N THR B 118 10.358 19.485 15.180 1.00 0.00 N ATOM 1486 CA THR B 118 11.029 19.906 13.956 1.00 0.00 C ATOM 1487 C THR B 118 10.516 19.127 12.751 1.00 0.00 C ATOM 1488 O THR B 118 9.371 18.675 12.733 1.00 0.00 O ATOM 1489 CB THR B 118 12.555 19.723 14.061 1.00 0.00 C ATOM 1490 OG1 THR B 118 13.215 20.552 13.098 1.00 0.00 O ATOM 1491 CG2 THR B 118 12.942 18.269 13.835 1.00 0.00 C ATOM 0 H THR B 118 9.668 18.745 15.049 1.00 0.00 H new ATOM 0 HA THR B 118 10.806 20.964 13.821 1.00 0.00 H new ATOM 0 HB THR B 118 12.866 20.014 15.064 1.00 0.00 H new ATOM 0 HG1 THR B 118 12.682 21.360 12.942 1.00 0.00 H new ATOM 0 HG21 THR B 118 14.024 18.164 13.914 1.00 0.00 H new ATOM 0 HG22 THR B 118 12.461 17.643 14.587 1.00 0.00 H new ATOM 0 HG23 THR B 118 12.619 17.957 12.842 1.00 0.00 H new ATOM 1499 N PHE B 119 11.371 18.971 11.746 1.00 0.00 N ATOM 1500 CA PHE B 119 11.003 18.245 10.535 1.00 0.00 C ATOM 1501 C PHE B 119 10.128 17.040 10.868 1.00 0.00 C ATOM 1502 O PHE B 119 9.144 16.766 10.181 1.00 0.00 O ATOM 1503 CB PHE B 119 12.258 17.787 9.789 1.00 0.00 C ATOM 1504 CG PHE B 119 12.117 17.833 8.295 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.865 17.898 7.705 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.237 17.810 7.479 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.731 17.941 6.330 1.00 0.00 C ATOM 1508 CE2 PHE B 119 13.110 17.853 6.103 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.855 17.917 5.528 1.00 0.00 C ATOM 0 H PHE B 119 12.323 19.337 11.746 1.00 0.00 H new ATOM 0 HA PHE B 119 10.434 18.920 9.895 1.00 0.00 H new ATOM 0 HB2 PHE B 119 13.097 18.416 10.086 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.500 16.768 10.092 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.983 17.915 8.327 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.220 17.758 7.923 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.749 17.993 5.884 1.00 0.00 H new ATOM 0 HE2 PHE B 119 13.991 17.837 5.478 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.753 17.948 4.453 1.00 0.00 H new ATOM 1519 N SER B 120 10.493 16.325 11.928 1.00 0.00 N ATOM 1520 CA SER B 120 9.745 15.147 12.350 1.00 0.00 C ATOM 1521 C SER B 120 8.253 15.455 12.441 1.00 0.00 C ATOM 1522 O SER B 120 7.417 14.664 12.005 1.00 0.00 O ATOM 1523 CB SER B 120 10.257 14.650 13.703 1.00 0.00 C ATOM 1524 OG SER B 120 10.826 13.357 13.588 1.00 0.00 O ATOM 0 H SER B 120 11.302 16.541 12.510 1.00 0.00 H new ATOM 0 HA SER B 120 9.893 14.366 11.604 1.00 0.00 H new ATOM 0 HB2 SER B 120 11.001 15.345 14.092 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.436 14.627 14.420 1.00 0.00 H new ATOM 0 HG SER B 120 11.148 13.062 14.465 1.00 0.00 H new ATOM 1530 N ASP B 121 7.928 16.611 13.009 1.00 0.00 N ATOM 1531 CA ASP B 121 6.538 17.026 13.157 1.00 0.00 C ATOM 1532 C ASP B 121 5.793 16.914 11.830 1.00 0.00 C ATOM 1533 O ASP B 121 4.862 16.121 11.693 1.00 0.00 O ATOM 1534 CB ASP B 121 6.464 18.462 13.678 1.00 0.00 C ATOM 1535 CG ASP B 121 5.051 18.876 14.037 1.00 0.00 C ATOM 1536 OD1 ASP B 121 4.377 18.118 14.766 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.618 19.959 13.589 1.00 0.00 O ATOM 0 H ASP B 121 8.608 17.277 13.375 1.00 0.00 H new ATOM 0 HA ASP B 121 6.062 16.362 13.878 1.00 0.00 H new ATOM 0 HB2 ASP B 121 7.102 18.560 14.556 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.857 19.141 12.921 1.00 0.00 H new ATOM 1542 N LEU B 122 6.210 17.715 10.855 1.00 0.00 N ATOM 1543 CA LEU B 122 5.582 17.708 9.538 1.00 0.00 C ATOM 1544 C LEU B 122 6.018 16.487 8.734 1.00 0.00 C ATOM 1545 O LEU B 122 5.187 15.695 8.291 1.00 0.00 O ATOM 1546 CB LEU B 122 5.934 18.986 8.776 1.00 0.00 C ATOM 1547 CG LEU B 122 5.065 20.208 9.078 1.00 0.00 C ATOM 1548 CD1 LEU B 122 4.206 19.961 10.308 1.00 0.00 C ATOM 1549 CD2 LEU B 122 5.932 21.444 9.270 1.00 0.00 C ATOM 0 H LEU B 122 6.980 18.377 10.952 1.00 0.00 H new ATOM 0 HA LEU B 122 4.502 17.662 9.678 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.972 19.240 8.993 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.873 18.777 7.708 1.00 0.00 H new ATOM 0 HG LEU B 122 4.405 20.380 8.228 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.595 20.841 10.508 1.00 0.00 H new ATOM 0 HD12 LEU B 122 3.559 19.102 10.133 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.848 19.763 11.166 1.00 0.00 H new ATOM 0 HD21 LEU B 122 5.297 22.304 9.484 1.00 0.00 H new ATOM 0 HD22 LEU B 122 6.617 21.282 10.102 1.00 0.00 H new ATOM 0 HD23 LEU B 122 6.504 21.632 8.361 1.00 0.00 H new ATOM 1561 N TRP B 123 7.325 16.341 8.552 1.00 0.00 N ATOM 1562 CA TRP B 123 7.872 15.215 7.804 1.00 0.00 C ATOM 1563 C TRP B 123 7.031 13.961 8.015 1.00 0.00 C ATOM 1564 O TRP B 123 6.529 13.369 7.060 1.00 0.00 O ATOM 1565 CB TRP B 123 9.319 14.951 8.223 1.00 0.00 C ATOM 1566 CG TRP B 123 10.069 14.085 7.257 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.681 12.895 7.528 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.288 14.344 5.866 1.00 0.00 C ATOM 1569 NE1 TRP B 123 11.268 12.398 6.388 1.00 0.00 N ATOM 1570 CE2 TRP B 123 11.040 13.268 5.355 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.920 15.379 5.002 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.430 13.200 4.020 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.308 15.310 3.677 1.00 0.00 C ATOM 1574 CH2 TRP B 123 11.056 14.227 3.197 1.00 0.00 C ATOM 0 H TRP B 123 8.026 16.988 8.912 1.00 0.00 H new ATOM 0 HA TRP B 123 7.850 15.470 6.745 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.839 15.903 8.326 1.00 0.00 H new ATOM 0 HB3 TRP B 123 9.325 14.477 9.205 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.701 12.415 8.495 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.789 11.523 6.322 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.343 16.218 5.363 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 12.007 12.366 3.648 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 10.030 16.104 3.000 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.343 14.202 2.156 1.00 0.00 H new ATOM 1585 N LYS B 124 6.881 13.560 9.273 1.00 0.00 N ATOM 1586 CA LYS B 124 6.099 12.377 9.611 1.00 0.00 C ATOM 1587 C LYS B 124 4.797 12.339 8.817 1.00 0.00 C ATOM 1588 O LYS B 124 4.405 11.293 8.299 1.00 0.00 O ATOM 1589 CB LYS B 124 5.795 12.352 11.111 1.00 0.00 C ATOM 1590 CG LYS B 124 6.906 11.740 11.947 1.00 0.00 C ATOM 1591 CD LYS B 124 6.810 10.224 11.976 1.00 0.00 C ATOM 1592 CE LYS B 124 8.012 9.603 12.672 1.00 0.00 C ATOM 1593 NZ LYS B 124 7.609 8.780 13.846 1.00 0.00 N ATOM 0 H LYS B 124 7.291 14.037 10.076 1.00 0.00 H new ATOM 0 HA LYS B 124 6.688 11.497 9.351 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.613 13.371 11.453 1.00 0.00 H new ATOM 0 HB3 LYS B 124 4.875 11.791 11.277 1.00 0.00 H new ATOM 0 HG2 LYS B 124 7.873 12.037 11.542 1.00 0.00 H new ATOM 0 HG3 LYS B 124 6.854 12.129 12.964 1.00 0.00 H new ATOM 0 HD2 LYS B 124 5.896 9.926 12.490 1.00 0.00 H new ATOM 0 HD3 LYS B 124 6.741 9.843 10.957 1.00 0.00 H new ATOM 0 HE2 LYS B 124 8.561 8.982 11.964 1.00 0.00 H new ATOM 0 HE3 LYS B 124 8.691 10.391 12.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 8.456 8.374 14.293 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 7.108 9.378 14.533 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 6.982 8.012 13.533 1.00 0.00 H new ATOM 1607 N LEU B 125 4.133 13.486 8.725 1.00 0.00 N ATOM 1608 CA LEU B 125 2.875 13.585 7.992 1.00 0.00 C ATOM 1609 C LEU B 125 2.930 12.768 6.705 1.00 0.00 C ATOM 1610 O LEU B 125 1.991 12.039 6.380 1.00 0.00 O ATOM 1611 CB LEU B 125 2.564 15.047 7.669 1.00 0.00 C ATOM 1612 CG LEU B 125 1.109 15.363 7.323 1.00 0.00 C ATOM 1613 CD1 LEU B 125 0.790 14.922 5.903 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.168 14.695 8.315 1.00 0.00 C ATOM 0 H LEU B 125 4.444 14.360 9.148 1.00 0.00 H new ATOM 0 HA LEU B 125 2.082 13.183 8.623 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.854 15.657 8.525 1.00 0.00 H new ATOM 0 HB3 LEU B 125 3.191 15.354 6.832 1.00 0.00 H new ATOM 0 HG LEU B 125 0.966 16.442 7.387 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -0.250 15.155 5.675 1.00 0.00 H new ATOM 0 HD12 LEU B 125 1.441 15.447 5.204 1.00 0.00 H new ATOM 0 HD13 LEU B 125 0.950 13.848 5.811 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.864 14.931 8.053 1.00 0.00 H new ATOM 0 HD22 LEU B 125 0.313 13.615 8.283 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.380 15.060 9.320 1.00 0.00 H new ATOM 1626 N LEU B 126 4.034 12.892 5.978 1.00 0.00 N ATOM 1627 CA LEU B 126 4.213 12.163 4.727 1.00 0.00 C ATOM 1628 C LEU B 126 3.627 10.758 4.827 1.00 0.00 C ATOM 1629 O LEU B 126 3.805 10.054 5.821 1.00 0.00 O ATOM 1630 CB LEU B 126 5.697 12.085 4.367 1.00 0.00 C ATOM 1631 CG LEU B 126 6.229 13.199 3.465 1.00 0.00 C ATOM 1632 CD1 LEU B 126 6.955 14.252 4.289 1.00 0.00 C ATOM 1633 CD2 LEU B 126 7.150 12.628 2.397 1.00 0.00 C ATOM 0 H LEU B 126 4.819 13.491 6.233 1.00 0.00 H new ATOM 0 HA LEU B 126 3.683 12.702 3.942 1.00 0.00 H new ATOM 0 HB2 LEU B 126 6.275 12.086 5.291 1.00 0.00 H new ATOM 0 HB3 LEU B 126 5.882 11.129 3.877 1.00 0.00 H new ATOM 0 HG LEU B 126 5.382 13.674 2.970 1.00 0.00 H new ATOM 0 HD11 LEU B 126 7.327 15.037 3.630 1.00 0.00 H new ATOM 0 HD12 LEU B 126 6.267 14.684 5.015 1.00 0.00 H new ATOM 0 HD13 LEU B 126 7.792 13.791 4.812 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.519 13.436 1.765 1.00 0.00 H new ATOM 0 HD22 LEU B 126 7.992 12.127 2.873 1.00 0.00 H new ATOM 0 HD23 LEU B 126 6.599 11.912 1.787 1.00 0.00 H new ATOM 1645 N PRO B 127 2.912 10.339 3.772 1.00 0.00 N ATOM 1646 CA PRO B 127 2.288 9.013 3.715 1.00 0.00 C ATOM 1647 C PRO B 127 3.316 7.894 3.589 1.00 0.00 C ATOM 1648 O PRO B 127 3.039 6.745 3.933 1.00 0.00 O ATOM 1649 CB PRO B 127 1.418 9.085 2.458 1.00 0.00 C ATOM 1650 CG PRO B 127 2.068 10.118 1.605 1.00 0.00 C ATOM 1651 CD PRO B 127 2.660 11.125 2.553 1.00 0.00 C ATOM 0 HA PRO B 127 1.730 8.785 4.623 1.00 0.00 H new ATOM 0 HB2 PRO B 127 1.376 8.122 1.950 1.00 0.00 H new ATOM 0 HB3 PRO B 127 0.392 9.362 2.702 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.839 9.675 0.975 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.343 10.587 0.940 1.00 0.00 H new ATOM 0 HD2 PRO B 127 3.579 11.558 2.157 1.00 0.00 H new ATOM 0 HD3 PRO B 127 1.974 11.951 2.742 1.00 0.00 H new ATOM 1659 N GLU B 128 4.501 8.237 3.096 1.00 0.00 N ATOM 1660 CA GLU B 128 5.569 7.259 2.925 1.00 0.00 C ATOM 1661 C GLU B 128 5.176 6.197 1.902 1.00 0.00 C ATOM 1662 O GLU B 128 5.682 6.182 0.781 1.00 0.00 O ATOM 1663 CB GLU B 128 5.903 6.596 4.263 1.00 0.00 C ATOM 1664 CG GLU B 128 5.354 7.344 5.466 1.00 0.00 C ATOM 1665 CD GLU B 128 6.201 7.152 6.709 1.00 0.00 C ATOM 1666 OE1 GLU B 128 7.233 6.453 6.622 1.00 0.00 O ATOM 1667 OE2 GLU B 128 5.833 7.701 7.768 1.00 0.00 O ATOM 0 H GLU B 128 4.746 9.184 2.808 1.00 0.00 H new ATOM 0 HA GLU B 128 6.451 7.783 2.558 1.00 0.00 H new ATOM 0 HB2 GLU B 128 5.506 5.581 4.265 1.00 0.00 H new ATOM 0 HB3 GLU B 128 6.986 6.515 4.359 1.00 0.00 H new ATOM 0 HG2 GLU B 128 5.295 8.407 5.232 1.00 0.00 H new ATOM 0 HG3 GLU B 128 4.338 7.005 5.667 1.00 0.00 H new ATOM 1674 N ASN B 129 4.269 5.310 2.299 1.00 0.00 N ATOM 1675 CA ASN B 129 3.808 4.243 1.418 1.00 0.00 C ATOM 1676 C ASN B 129 4.985 3.559 0.729 1.00 0.00 C ATOM 1677 O ASN B 129 4.821 2.528 0.077 1.00 0.00 O ATOM 1678 CB ASN B 129 2.842 4.800 0.370 1.00 0.00 C ATOM 1679 CG ASN B 129 3.150 4.295 -1.026 1.00 0.00 C ATOM 1680 OD1 ASN B 129 2.787 3.047 -1.298 1.00 0.00 O flip ATOM 1681 ND2 ASN B 129 3.708 5.019 -1.851 1.00 0.00 N flip ATOM 0 H ASN B 129 3.839 5.309 3.224 1.00 0.00 H new ATOM 0 HA ASN B 129 3.287 3.504 2.026 1.00 0.00 H new ATOM 0 HB2 ASN B 129 1.822 4.523 0.637 1.00 0.00 H new ATOM 0 HB3 ASN B 129 2.890 5.889 0.378 1.00 0.00 H new ATOM 0 HD21 ASN B 129 3.970 5.972 -1.599 1.00 0.00 H new ATOM 0 HD22 ASN B 129 3.909 4.666 -2.787 1.00 0.00 H new TER 1688 ASN B 129