USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 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 16 ASN :FLIP amide:sc= 0.439 F(o=-1.2,f=0.91) USER MOD Set 1.2: A 28 SER OG : rot -76:sc= 0.474 USER MOD Set 2.1: A 5 SER OG : rot -99:sc= 0.113 USER MOD Set 2.2: A 7 ASN :FLIP amide:sc= 0.0888 F(o=-0.97,f=0.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00656) USER MOD Single : A 2 THR OG1 : rot 26:sc= 0.61 USER MOD Single : A 4 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.6!) USER MOD Single : A 6 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.68) USER MOD Single : A 8 GLN :FLIP amide:sc= -1.46 F(o=-3.8!,f=-1.5) USER MOD Single : A 14 LYS NZ :NH3+ -114:sc= -0.712 (180deg=-2.02!) USER MOD Single : A 18 GLN : amide:sc= -1.12 K(o=-1.1,f=-6.8!) USER MOD Single : A 19 GLN : amide:sc= -0.0088 K(o=-0.0088,f=-0.95) USER MOD Single : A 20 THR OG1 : rot -26:sc= 0.619 USER MOD Single : A 21 ASN : amide:sc= -0.444 K(o=-0.44,f=-3.5!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0458 USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.0673 (180deg=-0.433) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 36 THR OG1 : rot -35:sc= 0.332 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.016) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -103:sc= 0.695 USER MOD Single : A 58 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.4) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -135:sc= -1.36 (180deg=-3.81!) USER MOD Single : B 185 THR OG1 : rot 180:sc= 0 USER MOD Single : B 196 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 197 THR OG1 : rot 180:sc= 0 USER MOD Single : B 198 LYS NZ :NH3+ -160:sc= 0.209 (180deg=0.117) USER MOD Single : B 199 SER OG : rot 180:sc= 0 USER MOD Single : B 201 TYR OH : rot 180:sc= 0 USER MOD Single : B 202 THR OG1 : rot -32:sc= 0.739 USER MOD Single : B 204 SER OG : rot 171:sc= -0.19 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.361 -6.147 -17.552 1.00 0.00 N ATOM 2 CA MET A 1 -22.461 -4.967 -17.639 1.00 0.00 C ATOM 3 C MET A 1 -21.913 -4.598 -16.264 1.00 0.00 C ATOM 4 O MET A 1 -20.717 -4.349 -16.109 1.00 0.00 O ATOM 5 CB MET A 1 -23.211 -3.775 -18.237 1.00 0.00 C ATOM 6 CG MET A 1 -22.344 -2.539 -18.419 1.00 0.00 C ATOM 7 SD MET A 1 -20.986 -2.810 -19.575 1.00 0.00 S ATOM 8 CE MET A 1 -20.180 -1.210 -19.532 1.00 0.00 C ATOM 0 H1 MET A 1 -23.695 -6.400 -18.504 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.842 -6.950 -17.142 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.177 -5.918 -16.949 1.00 0.00 H new ATOM 0 HA MET A 1 -21.623 -5.226 -18.286 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.624 -4.064 -19.203 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.053 -3.526 -17.592 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.962 -1.715 -18.777 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.939 -2.238 -17.453 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.318 -1.219 -20.199 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.881 -0.441 -19.856 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.850 -0.996 -18.515 1.00 0.00 H new ATOM 20 N THR A 2 -22.794 -4.562 -15.269 1.00 0.00 N ATOM 21 CA THR A 2 -22.395 -4.222 -13.907 1.00 0.00 C ATOM 22 C THR A 2 -22.545 -5.417 -12.975 1.00 0.00 C ATOM 23 O THR A 2 -23.650 -5.916 -12.759 1.00 0.00 O ATOM 24 CB THR A 2 -23.224 -3.046 -13.358 1.00 0.00 C ATOM 25 OG1 THR A 2 -24.613 -3.395 -13.329 1.00 0.00 O ATOM 26 CG2 THR A 2 -23.026 -1.802 -14.211 1.00 0.00 C ATOM 0 H THR A 2 -23.788 -4.764 -15.380 1.00 0.00 H new ATOM 0 HA THR A 2 -21.346 -3.929 -13.948 1.00 0.00 H new ATOM 0 HB THR A 2 -22.884 -2.832 -12.345 1.00 0.00 H new ATOM 0 HG1 THR A 2 -24.704 -4.368 -13.257 1.00 0.00 H new ATOM 0 HG21 THR A 2 -23.621 -0.984 -13.805 1.00 0.00 H new ATOM 0 HG22 THR A 2 -21.973 -1.522 -14.207 1.00 0.00 H new ATOM 0 HG23 THR A 2 -23.342 -2.008 -15.234 1.00 0.00 H new ATOM 34 N ASP A 3 -21.425 -5.873 -12.423 1.00 0.00 N ATOM 35 CA ASP A 3 -21.427 -7.011 -11.512 1.00 0.00 C ATOM 36 C ASP A 3 -21.833 -6.580 -10.107 1.00 0.00 C ATOM 37 O ASP A 3 -21.937 -5.387 -9.821 1.00 0.00 O ATOM 38 CB ASP A 3 -20.047 -7.669 -11.479 1.00 0.00 C ATOM 39 CG ASP A 3 -18.970 -6.730 -10.971 1.00 0.00 C ATOM 40 OD1 ASP A 3 -18.494 -5.889 -11.764 1.00 0.00 O ATOM 41 OD2 ASP A 3 -18.604 -6.834 -9.783 1.00 0.00 O ATOM 0 H ASP A 3 -20.503 -5.471 -12.591 1.00 0.00 H new ATOM 0 HA ASP A 3 -22.156 -7.735 -11.876 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -20.084 -8.553 -10.842 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -19.786 -8.009 -12.481 1.00 0.00 H new ATOM 46 N ASN A 4 -22.061 -7.557 -9.235 1.00 0.00 N ATOM 47 CA ASN A 4 -22.455 -7.277 -7.859 1.00 0.00 C ATOM 48 C ASN A 4 -21.238 -6.966 -6.995 1.00 0.00 C ATOM 49 O ASN A 4 -20.132 -6.782 -7.506 1.00 0.00 O ATOM 50 CB ASN A 4 -23.225 -8.463 -7.274 1.00 0.00 C ATOM 51 CG ASN A 4 -24.568 -8.670 -7.947 1.00 0.00 C ATOM 52 OD1 ASN A 4 -24.733 -8.377 -9.131 1.00 0.00 O ATOM 53 ND2 ASN A 4 -25.536 -9.176 -7.192 1.00 0.00 N ATOM 0 H ASN A 4 -21.980 -8.549 -9.457 1.00 0.00 H new ATOM 0 HA ASN A 4 -23.104 -6.401 -7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -22.626 -9.368 -7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -23.378 -8.303 -6.207 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -26.462 -9.336 -7.589 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -25.354 -9.404 -6.215 1.00 0.00 H new ATOM 60 N SER A 5 -21.449 -6.908 -5.684 1.00 0.00 N ATOM 61 CA SER A 5 -20.371 -6.614 -4.746 1.00 0.00 C ATOM 62 C SER A 5 -19.600 -7.879 -4.382 1.00 0.00 C ATOM 63 O SER A 5 -20.150 -8.805 -3.785 1.00 0.00 O ATOM 64 CB SER A 5 -20.933 -5.965 -3.481 1.00 0.00 C ATOM 65 OG SER A 5 -19.903 -5.689 -2.549 1.00 0.00 O ATOM 0 H SER A 5 -22.358 -7.061 -5.247 1.00 0.00 H new ATOM 0 HA SER A 5 -19.683 -5.920 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.449 -5.041 -3.741 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.671 -6.626 -3.027 1.00 0.00 H new ATOM 0 HG SER A 5 -19.879 -6.395 -1.869 1.00 0.00 H new ATOM 71 N ASN A 6 -18.323 -7.910 -4.746 1.00 0.00 N ATOM 72 CA ASN A 6 -17.472 -9.057 -4.454 1.00 0.00 C ATOM 73 C ASN A 6 -16.773 -8.884 -3.108 1.00 0.00 C ATOM 74 O ASN A 6 -16.075 -9.783 -2.638 1.00 0.00 O ATOM 75 CB ASN A 6 -16.437 -9.245 -5.568 1.00 0.00 C ATOM 76 CG ASN A 6 -15.595 -10.492 -5.378 1.00 0.00 C ATOM 77 OD1 ASN A 6 -14.534 -10.449 -4.758 1.00 0.00 O ATOM 78 ND2 ASN A 6 -16.066 -11.611 -5.916 1.00 0.00 N ATOM 0 H ASN A 6 -17.854 -7.153 -5.244 1.00 0.00 H new ATOM 0 HA ASN A 6 -18.101 -9.946 -4.402 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -16.949 -9.300 -6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -15.785 -8.373 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -15.542 -12.481 -5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -16.951 -11.600 -6.422 1.00 0.00 H new ATOM 85 N ASN A 7 -16.972 -7.719 -2.493 1.00 0.00 N ATOM 86 CA ASN A 7 -16.369 -7.410 -1.198 1.00 0.00 C ATOM 87 C ASN A 7 -14.844 -7.429 -1.276 1.00 0.00 C ATOM 88 O ASN A 7 -14.224 -8.493 -1.289 1.00 0.00 O ATOM 89 CB ASN A 7 -16.850 -8.399 -0.132 1.00 0.00 C ATOM 90 CG ASN A 7 -18.348 -8.322 0.104 1.00 0.00 C ATOM 91 OD1 ASN A 7 -18.910 -7.124 -0.014 1.00 0.00 O flip ATOM 92 ND2 ASN A 7 -18.993 -9.329 0.397 1.00 0.00 N flip ATOM 0 H ASN A 7 -17.550 -6.970 -2.874 1.00 0.00 H new ATOM 0 HA ASN A 7 -16.684 -6.404 -0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -16.586 -9.412 -0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -16.328 -8.201 0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -18.523 -10.230 0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -19.998 -9.262 0.559 1.00 0.00 H new ATOM 99 N GLN A 8 -14.248 -6.242 -1.331 1.00 0.00 N ATOM 100 CA GLN A 8 -12.795 -6.112 -1.406 1.00 0.00 C ATOM 101 C GLN A 8 -12.358 -4.748 -0.879 1.00 0.00 C ATOM 102 O GLN A 8 -12.971 -3.728 -1.195 1.00 0.00 O ATOM 103 CB GLN A 8 -12.326 -6.295 -2.852 1.00 0.00 C ATOM 104 CG GLN A 8 -10.911 -6.844 -2.986 1.00 0.00 C ATOM 105 CD GLN A 8 -9.838 -5.810 -2.704 1.00 0.00 C ATOM 106 OE1 GLN A 8 -9.331 -5.793 -1.476 1.00 0.00 O flip ATOM 107 NE2 GLN A 8 -9.451 -5.044 -3.588 1.00 0.00 N flip ATOM 0 H GLN A 8 -14.749 -5.354 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.341 -6.886 -0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.015 -6.968 -3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.381 -5.334 -3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.787 -7.682 -2.300 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.774 -7.234 -3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.866 -5.088 -4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.716 -4.365 -3.389 1.00 0.00 H new ATOM 116 N LEU A 9 -11.297 -4.733 -0.077 1.00 0.00 N ATOM 117 CA LEU A 9 -10.789 -3.487 0.488 1.00 0.00 C ATOM 118 C LEU A 9 -9.963 -2.735 -0.548 1.00 0.00 C ATOM 119 O LEU A 9 -8.887 -3.180 -0.944 1.00 0.00 O ATOM 120 CB LEU A 9 -9.945 -3.772 1.735 1.00 0.00 C ATOM 121 CG LEU A 9 -9.749 -2.584 2.685 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.237 -3.062 4.034 1.00 0.00 C ATOM 123 CD2 LEU A 9 -8.786 -1.565 2.089 1.00 0.00 C ATOM 0 H LEU A 9 -10.774 -5.566 0.195 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.637 -2.865 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.412 -4.586 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.964 -4.125 1.416 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.716 -2.101 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.103 -2.207 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.958 -3.752 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.282 -3.571 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.663 -0.732 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.819 -2.037 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.186 -1.196 1.144 1.00 0.00 H new ATOM 135 N VAL A 10 -10.477 -1.588 -0.981 1.00 0.00 N ATOM 136 CA VAL A 10 -9.795 -0.771 -1.976 1.00 0.00 C ATOM 137 C VAL A 10 -9.077 0.399 -1.314 1.00 0.00 C ATOM 138 O VAL A 10 -9.599 1.011 -0.382 1.00 0.00 O ATOM 139 CB VAL A 10 -10.782 -0.227 -3.025 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.034 0.384 -4.200 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.723 -1.327 -3.494 1.00 0.00 C ATOM 0 H VAL A 10 -11.365 -1.204 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.066 -1.411 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.380 0.557 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.750 0.762 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.408 1.204 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.407 -0.376 -4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.413 -0.924 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.144 -2.136 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.287 -1.710 -2.644 1.00 0.00 H new ATOM 151 N VAL A 11 -7.880 0.705 -1.802 1.00 0.00 N ATOM 152 CA VAL A 11 -7.092 1.799 -1.249 1.00 0.00 C ATOM 153 C VAL A 11 -6.697 2.798 -2.339 1.00 0.00 C ATOM 154 O VAL A 11 -6.597 2.440 -3.512 1.00 0.00 O ATOM 155 CB VAL A 11 -5.829 1.264 -0.540 1.00 0.00 C ATOM 156 CG1 VAL A 11 -4.714 0.978 -1.536 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.370 2.236 0.532 1.00 0.00 C ATOM 0 H VAL A 11 -7.436 0.212 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.713 2.314 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.085 0.320 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.839 0.603 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.051 0.230 -2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.453 1.896 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.479 1.843 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.139 3.199 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.162 2.365 1.269 1.00 0.00 H new ATOM 167 N ARG A 12 -6.475 4.051 -1.943 1.00 0.00 N ATOM 168 CA ARG A 12 -6.101 5.096 -2.892 1.00 0.00 C ATOM 169 C ARG A 12 -4.777 5.748 -2.509 1.00 0.00 C ATOM 170 O ARG A 12 -4.541 6.067 -1.344 1.00 0.00 O ATOM 171 CB ARG A 12 -7.196 6.164 -2.968 1.00 0.00 C ATOM 172 CG ARG A 12 -6.897 7.273 -3.965 1.00 0.00 C ATOM 173 CD ARG A 12 -7.959 8.361 -3.928 1.00 0.00 C ATOM 174 NE ARG A 12 -9.270 7.860 -4.328 1.00 0.00 N ATOM 175 CZ ARG A 12 -10.313 8.643 -4.589 1.00 0.00 C ATOM 176 NH1 ARG A 12 -10.198 9.962 -4.490 1.00 0.00 N ATOM 177 NH2 ARG A 12 -11.472 8.109 -4.949 1.00 0.00 N ATOM 0 H ARG A 12 -6.548 4.365 -0.975 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.983 4.626 -3.869 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.138 5.688 -3.239 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.333 6.603 -1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.922 7.708 -3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.839 6.854 -4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.020 8.773 -2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.666 9.177 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.394 6.851 -4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.308 10.377 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.999 10.560 -4.691 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.565 7.096 -5.026 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.271 8.711 -5.149 1.00 0.00 H new ATOM 191 N ALA A 13 -3.919 5.942 -3.505 1.00 0.00 N ATOM 192 CA ALA A 13 -2.616 6.562 -3.295 1.00 0.00 C ATOM 193 C ALA A 13 -2.761 7.997 -2.797 1.00 0.00 C ATOM 194 O ALA A 13 -3.561 8.769 -3.326 1.00 0.00 O ATOM 195 CB ALA A 13 -1.813 6.531 -4.584 1.00 0.00 C ATOM 0 H ALA A 13 -4.105 5.677 -4.472 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.088 5.994 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.841 6.996 -4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.672 5.497 -4.900 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.349 7.077 -5.360 1.00 0.00 H new ATOM 201 N LYS A 14 -1.983 8.350 -1.776 1.00 0.00 N ATOM 202 CA LYS A 14 -2.022 9.697 -1.217 1.00 0.00 C ATOM 203 C LYS A 14 -0.885 10.551 -1.771 1.00 0.00 C ATOM 204 O LYS A 14 -1.118 11.512 -2.504 1.00 0.00 O ATOM 205 CB LYS A 14 -1.938 9.652 0.310 1.00 0.00 C ATOM 206 CG LYS A 14 -3.146 9.001 0.966 1.00 0.00 C ATOM 207 CD LYS A 14 -3.091 9.114 2.482 1.00 0.00 C ATOM 208 CE LYS A 14 -3.145 10.563 2.943 1.00 0.00 C ATOM 209 NZ LYS A 14 -4.321 11.283 2.380 1.00 0.00 N ATOM 0 H LYS A 14 -1.320 7.723 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.971 10.148 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.040 9.108 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.832 10.668 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.058 9.472 0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.193 7.950 0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.924 8.563 2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.175 8.650 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.187 10.596 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.230 11.073 2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.994 12.026 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.924 10.612 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.867 11.714 3.153 1.00 0.00 H new ATOM 223 N PHE A 15 0.345 10.193 -1.412 1.00 0.00 N ATOM 224 CA PHE A 15 1.521 10.927 -1.869 1.00 0.00 C ATOM 225 C PHE A 15 2.195 10.208 -3.033 1.00 0.00 C ATOM 226 O PHE A 15 1.898 9.046 -3.314 1.00 0.00 O ATOM 227 CB PHE A 15 2.521 11.103 -0.721 1.00 0.00 C ATOM 228 CG PHE A 15 1.901 11.600 0.556 1.00 0.00 C ATOM 229 CD1 PHE A 15 1.192 12.791 0.583 1.00 0.00 C ATOM 230 CD2 PHE A 15 2.030 10.875 1.731 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.623 13.248 1.757 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.464 11.328 2.907 1.00 0.00 C ATOM 233 CZ PHE A 15 0.759 12.516 2.921 1.00 0.00 C ATOM 0 H PHE A 15 0.553 9.399 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 15 1.191 11.908 -2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.010 10.148 -0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.298 11.802 -1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.083 13.368 -0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.579 9.945 1.727 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.072 14.177 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.573 10.754 3.815 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.315 12.872 3.839 1.00 0.00 H new ATOM 243 N ASN A 16 3.104 10.908 -3.707 1.00 0.00 N ATOM 244 CA ASN A 16 3.824 10.334 -4.837 1.00 0.00 C ATOM 245 C ASN A 16 4.905 9.373 -4.353 1.00 0.00 C ATOM 246 O ASN A 16 5.957 9.798 -3.875 1.00 0.00 O ATOM 247 CB ASN A 16 4.452 11.440 -5.687 1.00 0.00 C ATOM 248 CG ASN A 16 5.133 10.901 -6.932 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.608 9.806 -7.471 1.00 0.00 O flip ATOM 250 ND2 ASN A 16 6.120 11.466 -7.407 1.00 0.00 N flip ATOM 0 H ASN A 16 3.358 11.872 -3.490 1.00 0.00 H new ATOM 0 HA ASN A 16 3.112 9.780 -5.448 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.680 12.152 -5.979 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.179 11.986 -5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.491 12.305 -6.961 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.566 11.095 -8.246 1.00 0.00 H new ATOM 257 N PHE A 17 4.638 8.076 -4.476 1.00 0.00 N ATOM 258 CA PHE A 17 5.589 7.055 -4.047 1.00 0.00 C ATOM 259 C PHE A 17 6.464 6.607 -5.213 1.00 0.00 C ATOM 260 O PHE A 17 5.987 6.447 -6.336 1.00 0.00 O ATOM 261 CB PHE A 17 4.847 5.853 -3.458 1.00 0.00 C ATOM 262 CG PHE A 17 5.747 4.854 -2.786 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.342 3.832 -3.511 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.996 4.935 -1.425 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.167 2.913 -2.891 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.819 4.018 -0.800 1.00 0.00 C ATOM 267 CZ PHE A 17 7.406 3.006 -1.534 1.00 0.00 C ATOM 0 H PHE A 17 3.772 7.707 -4.869 1.00 0.00 H new ATOM 0 HA PHE A 17 6.230 7.488 -3.279 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.112 6.210 -2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.295 5.353 -4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.158 3.754 -4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.541 5.725 -0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.625 2.123 -3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.003 4.092 0.262 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.051 2.289 -1.048 1.00 0.00 H new ATOM 277 N GLN A 18 7.750 6.408 -4.936 1.00 0.00 N ATOM 278 CA GLN A 18 8.693 5.971 -5.957 1.00 0.00 C ATOM 279 C GLN A 18 9.391 4.687 -5.527 1.00 0.00 C ATOM 280 O GLN A 18 10.031 4.637 -4.477 1.00 0.00 O ATOM 281 CB GLN A 18 9.731 7.062 -6.236 1.00 0.00 C ATOM 282 CG GLN A 18 9.137 8.347 -6.793 1.00 0.00 C ATOM 283 CD GLN A 18 8.748 9.330 -5.706 1.00 0.00 C ATOM 284 OE1 GLN A 18 8.423 8.941 -4.585 1.00 0.00 O ATOM 285 NE2 GLN A 18 8.776 10.616 -6.035 1.00 0.00 N ATOM 0 H GLN A 18 8.161 6.543 -4.012 1.00 0.00 H new ATOM 0 HA GLN A 18 8.134 5.777 -6.873 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.263 7.289 -5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.468 6.678 -6.941 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.859 8.817 -7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.258 8.107 -7.392 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.052 10.896 -6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.522 11.324 -5.346 1.00 0.00 H new ATOM 294 N GLN A 19 9.262 3.650 -6.346 1.00 0.00 N ATOM 295 CA GLN A 19 9.872 2.360 -6.052 1.00 0.00 C ATOM 296 C GLN A 19 11.349 2.348 -6.431 1.00 0.00 C ATOM 297 O GLN A 19 11.900 3.362 -6.860 1.00 0.00 O ATOM 298 CB GLN A 19 9.136 1.247 -6.800 1.00 0.00 C ATOM 299 CG GLN A 19 9.230 1.365 -8.313 1.00 0.00 C ATOM 300 CD GLN A 19 8.560 0.211 -9.032 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.587 -0.360 -8.539 1.00 0.00 O ATOM 302 NE2 GLN A 19 9.082 -0.141 -10.201 1.00 0.00 N ATOM 0 H GLN A 19 8.739 3.678 -7.221 1.00 0.00 H new ATOM 0 HA GLN A 19 9.793 2.189 -4.978 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.543 0.284 -6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.086 1.257 -6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.770 2.301 -8.630 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.279 1.410 -8.605 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.889 0.361 -10.571 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.676 -0.913 -10.729 1.00 0.00 H new ATOM 311 N THR A 20 11.983 1.190 -6.268 1.00 0.00 N ATOM 312 CA THR A 20 13.395 1.033 -6.596 1.00 0.00 C ATOM 313 C THR A 20 13.655 -0.327 -7.234 1.00 0.00 C ATOM 314 O THR A 20 14.767 -0.615 -7.678 1.00 0.00 O ATOM 315 CB THR A 20 14.286 1.189 -5.346 1.00 0.00 C ATOM 316 OG1 THR A 20 15.665 1.034 -5.704 1.00 0.00 O ATOM 317 CG2 THR A 20 13.916 0.169 -4.283 1.00 0.00 C ATOM 0 H THR A 20 11.539 0.345 -5.910 1.00 0.00 H new ATOM 0 HA THR A 20 13.649 1.820 -7.306 1.00 0.00 H new ATOM 0 HB THR A 20 14.126 2.187 -4.938 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.733 0.481 -6.511 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.559 0.301 -3.413 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.876 0.310 -3.990 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.048 -0.837 -4.682 1.00 0.00 H new ATOM 325 N ASN A 21 12.618 -1.162 -7.275 1.00 0.00 N ATOM 326 CA ASN A 21 12.724 -2.493 -7.863 1.00 0.00 C ATOM 327 C ASN A 21 11.363 -2.961 -8.377 1.00 0.00 C ATOM 328 O ASN A 21 10.336 -2.353 -8.078 1.00 0.00 O ATOM 329 CB ASN A 21 13.272 -3.486 -6.835 1.00 0.00 C ATOM 330 CG ASN A 21 13.658 -4.814 -7.460 1.00 0.00 C ATOM 331 OD1 ASN A 21 14.044 -4.874 -8.628 1.00 0.00 O ATOM 332 ND2 ASN A 21 13.562 -5.886 -6.683 1.00 0.00 N ATOM 0 H ASN A 21 11.694 -0.938 -6.907 1.00 0.00 H new ATOM 0 HA ASN A 21 13.414 -2.444 -8.705 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.143 -3.052 -6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.522 -3.656 -6.063 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.813 -6.805 -7.048 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.237 -5.791 -5.721 1.00 0.00 H new ATOM 339 N GLU A 22 11.363 -4.043 -9.149 1.00 0.00 N ATOM 340 CA GLU A 22 10.129 -4.587 -9.707 1.00 0.00 C ATOM 341 C GLU A 22 9.340 -5.362 -8.655 1.00 0.00 C ATOM 342 O GLU A 22 8.128 -5.534 -8.781 1.00 0.00 O ATOM 343 CB GLU A 22 10.442 -5.497 -10.896 1.00 0.00 C ATOM 344 CG GLU A 22 11.045 -4.762 -12.082 1.00 0.00 C ATOM 345 CD GLU A 22 11.370 -5.687 -13.238 1.00 0.00 C ATOM 346 OE1 GLU A 22 10.428 -6.111 -13.942 1.00 0.00 O ATOM 347 OE2 GLU A 22 12.565 -5.986 -13.442 1.00 0.00 O ATOM 0 H GLU A 22 12.204 -4.561 -9.403 1.00 0.00 H new ATOM 0 HA GLU A 22 9.518 -3.750 -10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.131 -6.277 -10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.525 -5.993 -11.214 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.349 -3.994 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.954 -4.251 -11.764 1.00 0.00 H new ATOM 354 N ASP A 23 10.033 -5.830 -7.622 1.00 0.00 N ATOM 355 CA ASP A 23 9.390 -6.588 -6.554 1.00 0.00 C ATOM 356 C ASP A 23 8.538 -5.678 -5.671 1.00 0.00 C ATOM 357 O ASP A 23 7.677 -6.151 -4.927 1.00 0.00 O ATOM 358 CB ASP A 23 10.438 -7.311 -5.707 1.00 0.00 C ATOM 359 CG ASP A 23 11.127 -8.428 -6.468 1.00 0.00 C ATOM 360 OD1 ASP A 23 12.058 -8.131 -7.245 1.00 0.00 O ATOM 361 OD2 ASP A 23 10.734 -9.600 -6.287 1.00 0.00 O ATOM 0 H ASP A 23 11.037 -5.698 -7.502 1.00 0.00 H new ATOM 0 HA ASP A 23 8.735 -7.328 -7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.184 -6.593 -5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.961 -7.722 -4.817 1.00 0.00 H new ATOM 366 N GLU A 24 8.782 -4.374 -5.758 1.00 0.00 N ATOM 367 CA GLU A 24 8.033 -3.400 -4.967 1.00 0.00 C ATOM 368 C GLU A 24 6.919 -2.772 -5.801 1.00 0.00 C ATOM 369 O GLU A 24 7.052 -2.621 -7.016 1.00 0.00 O ATOM 370 CB GLU A 24 8.969 -2.312 -4.439 1.00 0.00 C ATOM 371 CG GLU A 24 8.370 -1.490 -3.308 1.00 0.00 C ATOM 372 CD GLU A 24 8.176 -2.298 -2.040 1.00 0.00 C ATOM 373 OE1 GLU A 24 7.146 -2.994 -1.930 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.057 -2.234 -1.156 1.00 0.00 O ATOM 0 H GLU A 24 9.491 -3.966 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 24 7.583 -3.920 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.892 -2.776 -4.091 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.237 -1.646 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.020 -0.641 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.410 -1.085 -3.627 1.00 0.00 H new ATOM 381 N LEU A 25 5.820 -2.412 -5.143 1.00 0.00 N ATOM 382 CA LEU A 25 4.683 -1.803 -5.830 1.00 0.00 C ATOM 383 C LEU A 25 4.707 -0.285 -5.689 1.00 0.00 C ATOM 384 O LEU A 25 4.635 0.248 -4.581 1.00 0.00 O ATOM 385 CB LEU A 25 3.365 -2.361 -5.278 1.00 0.00 C ATOM 386 CG LEU A 25 2.113 -2.027 -6.096 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.039 -3.082 -5.880 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.578 -0.651 -5.727 1.00 0.00 C ATOM 0 H LEU A 25 5.692 -2.531 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 25 4.758 -2.050 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.452 -3.445 -5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.227 -1.984 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 25 2.389 -2.018 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.157 -2.829 -6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.417 -4.055 -6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.772 -3.119 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.689 -0.435 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.321 -0.633 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.340 0.102 -5.928 1.00 0.00 H new ATOM 400 N SER A 26 4.808 0.407 -6.820 1.00 0.00 N ATOM 401 CA SER A 26 4.826 1.864 -6.828 1.00 0.00 C ATOM 402 C SER A 26 3.420 2.410 -7.046 1.00 0.00 C ATOM 403 O SER A 26 2.539 1.700 -7.529 1.00 0.00 O ATOM 404 CB SER A 26 5.762 2.381 -7.923 1.00 0.00 C ATOM 405 OG SER A 26 5.779 3.797 -7.954 1.00 0.00 O ATOM 0 H SER A 26 4.879 -0.020 -7.744 1.00 0.00 H new ATOM 0 HA SER A 26 5.193 2.208 -5.861 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.771 2.006 -7.750 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.441 1.997 -8.891 1.00 0.00 H new ATOM 0 HG SER A 26 6.386 4.101 -8.661 1.00 0.00 H new ATOM 411 N PHE A 27 3.212 3.674 -6.691 1.00 0.00 N ATOM 412 CA PHE A 27 1.905 4.298 -6.853 1.00 0.00 C ATOM 413 C PHE A 27 1.999 5.817 -6.756 1.00 0.00 C ATOM 414 O PHE A 27 2.857 6.355 -6.056 1.00 0.00 O ATOM 415 CB PHE A 27 0.925 3.765 -5.804 1.00 0.00 C ATOM 416 CG PHE A 27 1.401 3.932 -4.387 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.166 5.108 -3.694 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.080 2.907 -3.748 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.598 5.260 -2.390 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.515 3.053 -2.444 1.00 0.00 C ATOM 421 CZ PHE A 27 2.274 4.231 -1.764 1.00 0.00 C ATOM 0 H PHE A 27 3.927 4.282 -6.292 1.00 0.00 H new ATOM 0 HA PHE A 27 1.537 4.044 -7.847 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.030 4.278 -5.919 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.744 2.707 -5.994 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.639 5.916 -4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.272 1.984 -4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.407 6.182 -1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.043 2.246 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.613 4.347 -0.745 1.00 0.00 H new ATOM 431 N SER A 28 1.110 6.499 -7.471 1.00 0.00 N ATOM 432 CA SER A 28 1.076 7.956 -7.468 1.00 0.00 C ATOM 433 C SER A 28 -0.321 8.454 -7.117 1.00 0.00 C ATOM 434 O SER A 28 -1.313 7.776 -7.384 1.00 0.00 O ATOM 435 CB SER A 28 1.497 8.501 -8.836 1.00 0.00 C ATOM 436 OG SER A 28 2.816 8.099 -9.160 1.00 0.00 O ATOM 0 H SER A 28 0.401 6.064 -8.062 1.00 0.00 H new ATOM 0 HA SER A 28 1.777 8.315 -6.714 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.807 8.145 -9.601 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.436 9.589 -8.832 1.00 0.00 H new ATOM 0 HG SER A 28 3.457 8.637 -8.649 1.00 0.00 H new ATOM 442 N LYS A 29 -0.389 9.636 -6.509 1.00 0.00 N ATOM 443 CA LYS A 29 -1.664 10.233 -6.115 1.00 0.00 C ATOM 444 C LYS A 29 -2.711 10.082 -7.218 1.00 0.00 C ATOM 445 O LYS A 29 -2.662 10.781 -8.231 1.00 0.00 O ATOM 446 CB LYS A 29 -1.474 11.713 -5.778 1.00 0.00 C ATOM 447 CG LYS A 29 -2.736 12.388 -5.268 1.00 0.00 C ATOM 448 CD LYS A 29 -2.506 13.864 -4.978 1.00 0.00 C ATOM 449 CE LYS A 29 -2.292 14.658 -6.257 1.00 0.00 C ATOM 450 NZ LYS A 29 -3.477 14.590 -7.157 1.00 0.00 N ATOM 0 H LYS A 29 0.427 10.202 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.021 9.705 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.692 11.808 -5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.126 12.238 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.530 12.282 -6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.076 11.887 -4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.362 14.267 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.638 13.977 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.084 15.699 -6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.416 14.275 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.421 15.352 -7.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.493 13.670 -7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.346 14.701 -6.596 1.00 0.00 H new ATOM 464 N GLY A 30 -3.653 9.165 -7.015 1.00 0.00 N ATOM 465 CA GLY A 30 -4.699 8.941 -7.997 1.00 0.00 C ATOM 466 C GLY A 30 -4.876 7.476 -8.349 1.00 0.00 C ATOM 467 O GLY A 30 -6.002 6.990 -8.461 1.00 0.00 O ATOM 0 H GLY A 30 -3.710 8.572 -6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.641 9.333 -7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.466 9.501 -8.903 1.00 0.00 H new ATOM 471 N ASP A 31 -3.762 6.770 -8.529 1.00 0.00 N ATOM 472 CA ASP A 31 -3.800 5.352 -8.875 1.00 0.00 C ATOM 473 C ASP A 31 -4.544 4.544 -7.816 1.00 0.00 C ATOM 474 O ASP A 31 -4.272 4.667 -6.621 1.00 0.00 O ATOM 475 CB ASP A 31 -2.380 4.809 -9.041 1.00 0.00 C ATOM 476 CG ASP A 31 -1.623 5.500 -10.159 1.00 0.00 C ATOM 477 OD1 ASP A 31 -1.717 5.037 -11.315 1.00 0.00 O ATOM 478 OD2 ASP A 31 -0.935 6.504 -9.878 1.00 0.00 O ATOM 0 H ASP A 31 -2.822 7.157 -8.441 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.336 5.253 -9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.835 4.934 -8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.425 3.739 -9.244 1.00 0.00 H new ATOM 483 N VAL A 32 -5.485 3.720 -8.266 1.00 0.00 N ATOM 484 CA VAL A 32 -6.270 2.883 -7.364 1.00 0.00 C ATOM 485 C VAL A 32 -5.637 1.502 -7.221 1.00 0.00 C ATOM 486 O VAL A 32 -5.481 0.779 -8.204 1.00 0.00 O ATOM 487 CB VAL A 32 -7.719 2.726 -7.866 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.544 1.917 -6.877 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.348 4.089 -8.113 1.00 0.00 C ATOM 0 H VAL A 32 -5.723 3.614 -9.252 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.284 3.378 -6.393 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.701 2.184 -8.812 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.564 1.817 -7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.103 0.927 -6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.558 2.426 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.371 3.959 -8.467 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.355 4.660 -7.185 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.769 4.626 -8.865 1.00 0.00 H new ATOM 499 N ILE A 33 -5.283 1.137 -5.993 1.00 0.00 N ATOM 500 CA ILE A 33 -4.656 -0.156 -5.736 1.00 0.00 C ATOM 501 C ILE A 33 -5.614 -1.118 -5.040 1.00 0.00 C ATOM 502 O ILE A 33 -6.299 -0.750 -4.085 1.00 0.00 O ATOM 503 CB ILE A 33 -3.385 -0.009 -4.877 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.364 0.883 -5.586 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.782 -1.373 -4.579 1.00 0.00 C ATOM 506 CD1 ILE A 33 -2.580 2.362 -5.350 1.00 0.00 C ATOM 0 H ILE A 33 -5.418 1.715 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.385 -0.564 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.659 0.460 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.363 0.613 -5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.404 0.685 -6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.885 -1.250 -3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.507 -1.981 -4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.521 -1.868 -5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.819 2.931 -5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.567 2.648 -5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.510 2.574 -4.283 1.00 0.00 H new ATOM 518 N HIS A 34 -5.651 -2.355 -5.528 1.00 0.00 N ATOM 519 CA HIS A 34 -6.510 -3.384 -4.954 1.00 0.00 C ATOM 520 C HIS A 34 -5.740 -4.208 -3.926 1.00 0.00 C ATOM 521 O HIS A 34 -4.781 -4.901 -4.266 1.00 0.00 O ATOM 522 CB HIS A 34 -7.056 -4.296 -6.054 1.00 0.00 C ATOM 523 CG HIS A 34 -7.935 -3.588 -7.039 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.444 -2.904 -8.132 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.283 -3.459 -7.092 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.450 -2.386 -8.813 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.576 -2.710 -8.204 1.00 0.00 N ATOM 0 H HIS A 34 -5.094 -2.669 -6.322 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.347 -2.895 -4.455 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.220 -4.750 -6.586 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.620 -5.108 -5.595 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.994 -3.869 -6.390 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.366 -1.797 -9.715 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.512 -2.446 -8.511 1.00 0.00 H new ATOM 536 N VAL A 35 -6.165 -4.129 -2.671 1.00 0.00 N ATOM 537 CA VAL A 35 -5.510 -4.863 -1.594 1.00 0.00 C ATOM 538 C VAL A 35 -5.836 -6.352 -1.660 1.00 0.00 C ATOM 539 O VAL A 35 -6.941 -6.740 -2.035 1.00 0.00 O ATOM 540 CB VAL A 35 -5.923 -4.314 -0.214 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.131 -4.991 0.894 1.00 0.00 C ATOM 542 CG2 VAL A 35 -5.742 -2.804 -0.164 1.00 0.00 C ATOM 0 H VAL A 35 -6.960 -3.564 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.436 -4.728 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.979 -4.536 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.438 -4.588 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.319 -6.064 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.067 -4.806 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.039 -2.434 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.696 -2.557 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.362 -2.338 -0.930 1.00 0.00 H new ATOM 552 N THR A 36 -4.861 -7.181 -1.299 1.00 0.00 N ATOM 553 CA THR A 36 -5.038 -8.628 -1.308 1.00 0.00 C ATOM 554 C THR A 36 -4.710 -9.221 0.056 1.00 0.00 C ATOM 555 O THR A 36 -5.143 -10.324 0.389 1.00 0.00 O ATOM 556 CB THR A 36 -4.151 -9.298 -2.374 1.00 0.00 C ATOM 557 OG1 THR A 36 -2.769 -9.063 -2.079 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.476 -8.763 -3.761 1.00 0.00 C ATOM 0 H THR A 36 -3.937 -6.873 -0.996 1.00 0.00 H new ATOM 0 HA THR A 36 -6.084 -8.821 -1.548 1.00 0.00 H new ATOM 0 HB THR A 36 -4.349 -10.370 -2.359 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.664 -8.168 -1.694 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.837 -9.250 -4.498 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.521 -8.968 -3.994 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.303 -7.687 -3.786 1.00 0.00 H new ATOM 566 N ARG A 37 -3.943 -8.472 0.843 1.00 0.00 N ATOM 567 CA ARG A 37 -3.547 -8.905 2.179 1.00 0.00 C ATOM 568 C ARG A 37 -3.385 -7.701 3.099 1.00 0.00 C ATOM 569 O ARG A 37 -2.434 -6.930 2.968 1.00 0.00 O ATOM 570 CB ARG A 37 -2.238 -9.697 2.123 1.00 0.00 C ATOM 571 CG ARG A 37 -2.364 -11.049 1.435 1.00 0.00 C ATOM 572 CD ARG A 37 -1.027 -11.772 1.380 1.00 0.00 C ATOM 573 NE ARG A 37 -1.139 -13.089 0.755 1.00 0.00 N ATOM 574 CZ ARG A 37 -0.095 -13.789 0.319 1.00 0.00 C ATOM 575 NH1 ARG A 37 1.132 -13.301 0.437 1.00 0.00 N ATOM 576 NH2 ARG A 37 -0.280 -14.980 -0.235 1.00 0.00 N ATOM 0 H ARG A 37 -3.581 -7.556 0.576 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.330 -9.552 2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.488 -9.103 1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.873 -9.850 3.139 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.090 -11.664 1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.746 -10.910 0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.311 -11.167 0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.634 -11.883 2.390 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.069 -13.494 0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.278 -12.386 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.930 -13.841 0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.223 -15.359 -0.327 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.520 -15.517 -0.569 1.00 0.00 H new ATOM 590 N VAL A 38 -4.320 -7.543 4.031 1.00 0.00 N ATOM 591 CA VAL A 38 -4.284 -6.427 4.968 1.00 0.00 C ATOM 592 C VAL A 38 -4.015 -6.905 6.393 1.00 0.00 C ATOM 593 O VAL A 38 -4.817 -7.631 6.982 1.00 0.00 O ATOM 594 CB VAL A 38 -5.601 -5.622 4.931 1.00 0.00 C ATOM 595 CG1 VAL A 38 -6.804 -6.550 5.004 1.00 0.00 C ATOM 596 CG2 VAL A 38 -5.641 -4.598 6.058 1.00 0.00 C ATOM 0 H VAL A 38 -5.111 -8.174 4.157 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.466 -5.777 4.657 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.643 -5.086 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.720 -5.961 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.787 -7.235 4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.768 -7.121 5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.578 -4.043 6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.569 -5.110 7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.804 -3.907 5.952 1.00 0.00 H new ATOM 606 N GLU A 39 -2.875 -6.492 6.937 1.00 0.00 N ATOM 607 CA GLU A 39 -2.487 -6.870 8.291 1.00 0.00 C ATOM 608 C GLU A 39 -2.811 -5.755 9.281 1.00 0.00 C ATOM 609 O GLU A 39 -3.317 -4.699 8.897 1.00 0.00 O ATOM 610 CB GLU A 39 -0.993 -7.194 8.345 1.00 0.00 C ATOM 611 CG GLU A 39 -0.576 -8.307 7.397 1.00 0.00 C ATOM 612 CD GLU A 39 -1.202 -9.643 7.751 1.00 0.00 C ATOM 613 OE1 GLU A 39 -2.375 -9.865 7.384 1.00 0.00 O ATOM 614 OE2 GLU A 39 -0.518 -10.468 8.393 1.00 0.00 O ATOM 0 H GLU A 39 -2.202 -5.893 6.459 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.055 -7.757 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.426 -6.294 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.728 -7.478 9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.858 -8.037 6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.510 -8.404 7.412 1.00 0.00 H new ATOM 621 N GLU A 40 -2.515 -5.995 10.554 1.00 0.00 N ATOM 622 CA GLU A 40 -2.775 -5.012 11.600 1.00 0.00 C ATOM 623 C GLU A 40 -1.637 -4.001 11.700 1.00 0.00 C ATOM 624 O GLU A 40 -0.696 -4.187 12.471 1.00 0.00 O ATOM 625 CB GLU A 40 -2.972 -5.712 12.946 1.00 0.00 C ATOM 626 CG GLU A 40 -4.145 -6.680 12.962 1.00 0.00 C ATOM 627 CD GLU A 40 -4.335 -7.340 14.312 1.00 0.00 C ATOM 628 OE1 GLU A 40 -3.725 -8.405 14.543 1.00 0.00 O ATOM 629 OE2 GLU A 40 -5.094 -6.792 15.139 1.00 0.00 O ATOM 0 H GLU A 40 -2.094 -6.863 10.887 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.687 -4.475 11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.061 -6.254 13.201 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.122 -4.959 13.719 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.056 -6.146 12.691 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.988 -7.448 12.205 1.00 0.00 H new ATOM 636 N GLY A 41 -1.731 -2.932 10.912 1.00 0.00 N ATOM 637 CA GLY A 41 -0.707 -1.904 10.928 1.00 0.00 C ATOM 638 C GLY A 41 0.633 -2.400 10.418 1.00 0.00 C ATOM 639 O GLY A 41 1.250 -3.274 11.028 1.00 0.00 O ATOM 0 H GLY A 41 -2.499 -2.761 10.263 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.034 -1.063 10.317 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.588 -1.532 11.946 1.00 0.00 H new ATOM 643 N GLY A 42 1.086 -1.841 9.298 1.00 0.00 N ATOM 644 CA GLY A 42 2.360 -2.247 8.734 1.00 0.00 C ATOM 645 C GLY A 42 2.381 -2.176 7.218 1.00 0.00 C ATOM 646 O GLY A 42 1.912 -1.202 6.629 1.00 0.00 O ATOM 0 H GLY A 42 0.595 -1.117 8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.149 -1.610 9.134 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.583 -3.266 9.049 1.00 0.00 H new ATOM 650 N TRP A 43 2.928 -3.212 6.591 1.00 0.00 N ATOM 651 CA TRP A 43 3.016 -3.267 5.136 1.00 0.00 C ATOM 652 C TRP A 43 1.855 -4.055 4.539 1.00 0.00 C ATOM 653 O TRP A 43 1.542 -5.157 4.987 1.00 0.00 O ATOM 654 CB TRP A 43 4.341 -3.898 4.708 1.00 0.00 C ATOM 655 CG TRP A 43 5.469 -2.917 4.615 1.00 0.00 C ATOM 656 CD1 TRP A 43 6.338 -2.566 5.606 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.846 -2.159 3.462 1.00 0.00 C ATOM 658 NE1 TRP A 43 7.236 -1.638 5.138 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.954 -1.371 3.824 1.00 0.00 C ATOM 660 CE3 TRP A 43 5.354 -2.073 2.156 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.579 -0.509 2.926 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.975 -1.217 1.268 1.00 0.00 C ATOM 663 CH2 TRP A 43 7.077 -0.445 1.655 1.00 0.00 C ATOM 0 H TRP A 43 3.317 -4.025 7.068 1.00 0.00 H new ATOM 0 HA TRP A 43 2.964 -2.244 4.762 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.608 -4.680 5.419 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.208 -4.380 3.739 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.322 -2.960 6.611 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.990 -1.216 5.680 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.505 -2.665 1.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.429 0.087 3.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.604 -1.142 0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.540 0.214 0.936 1.00 0.00 H new ATOM 674 N TRP A 44 1.221 -3.477 3.522 1.00 0.00 N ATOM 675 CA TRP A 44 0.098 -4.121 2.852 1.00 0.00 C ATOM 676 C TRP A 44 0.466 -4.475 1.413 1.00 0.00 C ATOM 677 O TRP A 44 1.014 -3.648 0.685 1.00 0.00 O ATOM 678 CB TRP A 44 -1.131 -3.206 2.864 1.00 0.00 C ATOM 679 CG TRP A 44 -1.683 -2.935 4.236 1.00 0.00 C ATOM 680 CD1 TRP A 44 -1.239 -3.445 5.425 1.00 0.00 C ATOM 681 CD2 TRP A 44 -2.791 -2.084 4.556 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.000 -2.959 6.461 1.00 0.00 N ATOM 683 CE2 TRP A 44 -2.959 -2.123 5.953 1.00 0.00 C ATOM 684 CE3 TRP A 44 -3.656 -1.291 3.796 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -3.957 -1.400 6.604 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -4.646 -0.576 4.443 1.00 0.00 C ATOM 687 CH2 TRP A 44 -4.788 -0.633 5.835 1.00 0.00 C ATOM 0 H TRP A 44 1.468 -2.562 3.144 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.140 -5.038 3.391 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -0.868 -2.257 2.396 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.912 -3.657 2.253 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.411 -4.130 5.534 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.872 -3.184 7.448 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.552 -1.238 2.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.070 -1.444 7.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.322 0.037 3.865 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.570 -0.060 6.311 1.00 0.00 H new ATOM 698 N GLU A 45 0.161 -5.703 1.009 1.00 0.00 N ATOM 699 CA GLU A 45 0.462 -6.161 -0.345 1.00 0.00 C ATOM 700 C GLU A 45 -0.796 -6.155 -1.209 1.00 0.00 C ATOM 701 O GLU A 45 -1.878 -6.522 -0.751 1.00 0.00 O ATOM 702 CB GLU A 45 1.061 -7.568 -0.309 1.00 0.00 C ATOM 703 CG GLU A 45 1.534 -8.067 -1.666 1.00 0.00 C ATOM 704 CD GLU A 45 2.034 -9.497 -1.617 1.00 0.00 C ATOM 705 OE1 GLU A 45 3.243 -9.695 -1.372 1.00 0.00 O ATOM 706 OE2 GLU A 45 1.218 -10.418 -1.823 1.00 0.00 O ATOM 0 H GLU A 45 -0.294 -6.400 1.598 1.00 0.00 H new ATOM 0 HA GLU A 45 1.188 -5.476 -0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.902 -7.578 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.316 -8.260 0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.714 -7.996 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.331 -7.419 -2.030 1.00 0.00 H new ATOM 713 N GLY A 46 -0.644 -5.736 -2.462 1.00 0.00 N ATOM 714 CA GLY A 46 -1.775 -5.685 -3.371 1.00 0.00 C ATOM 715 C GLY A 46 -1.357 -5.756 -4.825 1.00 0.00 C ATOM 716 O GLY A 46 -0.259 -6.216 -5.140 1.00 0.00 O ATOM 0 H GLY A 46 0.242 -5.431 -2.864 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.451 -6.511 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.332 -4.763 -3.201 1.00 0.00 H new ATOM 720 N THR A 47 -2.236 -5.302 -5.714 1.00 0.00 N ATOM 721 CA THR A 47 -1.954 -5.319 -7.144 1.00 0.00 C ATOM 722 C THR A 47 -2.355 -4.003 -7.806 1.00 0.00 C ATOM 723 O THR A 47 -3.303 -3.343 -7.380 1.00 0.00 O ATOM 724 CB THR A 47 -2.688 -6.478 -7.844 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.381 -7.717 -7.192 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.293 -6.563 -9.311 1.00 0.00 C ATOM 0 H THR A 47 -3.149 -4.918 -5.468 1.00 0.00 H new ATOM 0 HA THR A 47 -0.878 -5.459 -7.251 1.00 0.00 H new ATOM 0 HB THR A 47 -3.760 -6.289 -7.782 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.853 -8.449 -7.642 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.824 -7.389 -9.784 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.552 -5.630 -9.812 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.219 -6.730 -9.389 1.00 0.00 H new ATOM 734 N LEU A 48 -1.622 -3.632 -8.852 1.00 0.00 N ATOM 735 CA LEU A 48 -1.897 -2.406 -9.592 1.00 0.00 C ATOM 736 C LEU A 48 -1.517 -2.578 -11.060 1.00 0.00 C ATOM 737 O LEU A 48 -0.733 -3.462 -11.407 1.00 0.00 O ATOM 738 CB LEU A 48 -1.134 -1.224 -8.982 1.00 0.00 C ATOM 739 CG LEU A 48 -1.391 0.134 -9.647 1.00 0.00 C ATOM 740 CD1 LEU A 48 -2.875 0.464 -9.647 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.607 1.233 -8.946 1.00 0.00 C ATOM 0 H LEU A 48 -0.829 -4.167 -9.207 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.965 -2.197 -9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.396 -1.149 -7.927 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.066 -1.438 -9.031 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.052 0.071 -10.681 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.033 1.432 -10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.419 -0.304 -10.197 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.239 0.502 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.804 2.188 -9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.913 1.289 -7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.459 1.011 -9.000 1.00 0.00 H new ATOM 753 N ASN A 49 -2.081 -1.734 -11.917 1.00 0.00 N ATOM 754 CA ASN A 49 -1.810 -1.797 -13.349 1.00 0.00 C ATOM 755 C ASN A 49 -0.316 -1.688 -13.642 1.00 0.00 C ATOM 756 O ASN A 49 0.270 -0.608 -13.548 1.00 0.00 O ATOM 757 CB ASN A 49 -2.566 -0.686 -14.078 1.00 0.00 C ATOM 758 CG ASN A 49 -4.067 -0.792 -13.893 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.753 -1.457 -14.670 1.00 0.00 O ATOM 760 ND2 ASN A 49 -4.586 -0.135 -12.861 1.00 0.00 N ATOM 0 H ASN A 49 -2.730 -0.996 -11.644 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.154 -2.766 -13.709 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.225 0.283 -13.712 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.330 -0.726 -15.141 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.591 -0.170 -12.687 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.980 0.404 -12.242 1.00 0.00 H new ATOM 767 N GLY A 50 0.294 -2.817 -13.994 1.00 0.00 N ATOM 768 CA GLY A 50 1.712 -2.837 -14.315 1.00 0.00 C ATOM 769 C GLY A 50 2.607 -2.780 -13.091 1.00 0.00 C ATOM 770 O GLY A 50 3.831 -2.812 -13.214 1.00 0.00 O ATOM 0 H GLY A 50 -0.171 -3.722 -14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.937 -3.742 -14.879 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.942 -1.992 -14.964 1.00 0.00 H new ATOM 774 N ARG A 51 2.004 -2.692 -11.911 1.00 0.00 N ATOM 775 CA ARG A 51 2.767 -2.629 -10.669 1.00 0.00 C ATOM 776 C ARG A 51 2.193 -3.582 -9.624 1.00 0.00 C ATOM 777 O ARG A 51 1.021 -3.490 -9.266 1.00 0.00 O ATOM 778 CB ARG A 51 2.781 -1.199 -10.129 1.00 0.00 C ATOM 779 CG ARG A 51 3.518 -0.219 -11.028 1.00 0.00 C ATOM 780 CD ARG A 51 3.399 1.207 -10.516 1.00 0.00 C ATOM 781 NE ARG A 51 4.124 2.152 -11.362 1.00 0.00 N ATOM 782 CZ ARG A 51 4.100 3.471 -11.188 1.00 0.00 C ATOM 783 NH1 ARG A 51 3.388 4.002 -10.203 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.787 4.260 -12.002 1.00 0.00 N ATOM 0 H ARG A 51 0.992 -2.663 -11.788 1.00 0.00 H new ATOM 0 HA ARG A 51 3.790 -2.937 -10.884 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.754 -0.858 -9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.246 -1.196 -9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.570 -0.499 -11.087 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.115 -0.278 -12.039 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.347 1.491 -10.473 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.785 1.261 -9.498 1.00 0.00 H new ATOM 0 HE ARG A 51 4.681 1.779 -12.131 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.856 3.399 -9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.372 5.014 -10.073 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.334 3.856 -12.762 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.768 5.271 -11.868 1.00 0.00 H new ATOM 798 N THR A 52 3.030 -4.493 -9.134 1.00 0.00 N ATOM 799 CA THR A 52 2.602 -5.464 -8.131 1.00 0.00 C ATOM 800 C THR A 52 3.638 -5.599 -7.019 1.00 0.00 C ATOM 801 O THR A 52 4.842 -5.608 -7.277 1.00 0.00 O ATOM 802 CB THR A 52 2.354 -6.849 -8.758 1.00 0.00 C ATOM 803 OG1 THR A 52 1.380 -6.745 -9.805 1.00 0.00 O ATOM 804 CG2 THR A 52 1.872 -7.844 -7.710 1.00 0.00 C ATOM 0 H THR A 52 4.007 -4.579 -9.415 1.00 0.00 H new ATOM 0 HA THR A 52 1.668 -5.092 -7.710 1.00 0.00 H new ATOM 0 HB THR A 52 3.297 -7.209 -9.170 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.229 -7.629 -10.200 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.704 -8.814 -8.179 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.626 -7.944 -6.929 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.940 -7.487 -7.271 1.00 0.00 H new ATOM 812 N GLY A 53 3.160 -5.705 -5.782 1.00 0.00 N ATOM 813 CA GLY A 53 4.057 -5.841 -4.649 1.00 0.00 C ATOM 814 C GLY A 53 3.517 -5.182 -3.396 1.00 0.00 C ATOM 815 O GLY A 53 2.330 -4.865 -3.314 1.00 0.00 O ATOM 0 H GLY A 53 2.168 -5.699 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.231 -6.899 -4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.022 -5.401 -4.900 1.00 0.00 H new ATOM 819 N TRP A 54 4.392 -4.976 -2.417 1.00 0.00 N ATOM 820 CA TRP A 54 4.003 -4.353 -1.156 1.00 0.00 C ATOM 821 C TRP A 54 3.952 -2.833 -1.281 1.00 0.00 C ATOM 822 O TRP A 54 4.590 -2.248 -2.156 1.00 0.00 O ATOM 823 CB TRP A 54 4.983 -4.749 -0.050 1.00 0.00 C ATOM 824 CG TRP A 54 5.016 -6.223 0.220 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.715 -7.169 -0.471 1.00 0.00 C ATOM 826 CD2 TRP A 54 4.319 -6.917 1.260 1.00 0.00 C ATOM 827 NE1 TRP A 54 5.494 -8.410 0.075 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.640 -8.282 1.139 1.00 0.00 C ATOM 829 CE3 TRP A 54 3.453 -6.516 2.282 1.00 0.00 C ATOM 830 CZ2 TRP A 54 4.126 -9.247 2.001 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.944 -7.474 3.137 1.00 0.00 C ATOM 832 CH2 TRP A 54 3.282 -8.825 2.993 1.00 0.00 C ATOM 0 H TRP A 54 5.378 -5.232 -2.473 1.00 0.00 H new ATOM 0 HA TRP A 54 3.004 -4.708 -0.901 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.984 -4.416 -0.326 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.714 -4.226 0.867 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.349 -6.971 -1.323 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.900 -9.285 -0.258 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.187 -5.476 2.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 4.384 -10.290 1.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 2.274 -7.176 3.930 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.868 -9.549 3.679 1.00 0.00 H new ATOM 843 N PHE A 55 3.182 -2.200 -0.398 1.00 0.00 N ATOM 844 CA PHE A 55 3.050 -0.747 -0.391 1.00 0.00 C ATOM 845 C PHE A 55 2.727 -0.243 1.017 1.00 0.00 C ATOM 846 O PHE A 55 1.945 -0.865 1.736 1.00 0.00 O ATOM 847 CB PHE A 55 1.969 -0.294 -1.379 1.00 0.00 C ATOM 848 CG PHE A 55 0.614 -0.903 -1.143 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.299 -0.291 -0.298 1.00 0.00 C ATOM 850 CD2 PHE A 55 0.252 -2.083 -1.771 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.549 -0.845 -0.085 1.00 0.00 C ATOM 852 CE2 PHE A 55 -0.996 -2.642 -1.562 1.00 0.00 C ATOM 853 CZ PHE A 55 -1.898 -2.024 -0.718 1.00 0.00 C ATOM 0 H PHE A 55 2.639 -2.674 0.324 1.00 0.00 H new ATOM 0 HA PHE A 55 4.003 -0.319 -0.704 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.880 0.791 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.293 -0.540 -2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.031 0.629 0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.952 -2.573 -2.432 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.251 -0.357 0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.265 -3.562 -2.059 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.872 -2.460 -0.553 1.00 0.00 H new ATOM 863 N PRO A 56 3.326 0.891 1.435 1.00 0.00 N ATOM 864 CA PRO A 56 3.091 1.463 2.766 1.00 0.00 C ATOM 865 C PRO A 56 1.615 1.746 3.015 1.00 0.00 C ATOM 866 O PRO A 56 0.883 2.106 2.096 1.00 0.00 O ATOM 867 CB PRO A 56 3.894 2.771 2.758 1.00 0.00 C ATOM 868 CG PRO A 56 4.178 3.050 1.322 1.00 0.00 C ATOM 869 CD PRO A 56 4.267 1.711 0.652 1.00 0.00 C ATOM 0 HA PRO A 56 3.393 0.777 3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.327 3.584 3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.817 2.669 3.329 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.388 3.657 0.879 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.109 3.606 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.980 1.764 -0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.279 1.308 0.686 1.00 0.00 H new ATOM 877 N SER A 57 1.186 1.579 4.262 1.00 0.00 N ATOM 878 CA SER A 57 -0.206 1.812 4.629 1.00 0.00 C ATOM 879 C SER A 57 -0.425 3.259 5.061 1.00 0.00 C ATOM 880 O SER A 57 -1.562 3.719 5.162 1.00 0.00 O ATOM 881 CB SER A 57 -0.623 0.865 5.755 1.00 0.00 C ATOM 882 OG SER A 57 0.158 1.078 6.918 1.00 0.00 O ATOM 0 H SER A 57 1.782 1.283 5.035 1.00 0.00 H new ATOM 0 HA SER A 57 -0.822 1.618 3.751 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.677 1.015 5.989 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.514 -0.168 5.424 1.00 0.00 H new ATOM 0 HG SER A 57 0.834 0.372 6.992 1.00 0.00 H new ATOM 888 N ASN A 58 0.668 3.970 5.317 1.00 0.00 N ATOM 889 CA ASN A 58 0.590 5.366 5.734 1.00 0.00 C ATOM 890 C ASN A 58 0.522 6.292 4.525 1.00 0.00 C ATOM 891 O ASN A 58 0.056 7.427 4.627 1.00 0.00 O ATOM 892 CB ASN A 58 1.791 5.729 6.608 1.00 0.00 C ATOM 893 CG ASN A 58 1.856 4.897 7.873 1.00 0.00 C ATOM 894 OD1 ASN A 58 2.470 3.830 7.896 1.00 0.00 O ATOM 895 ND2 ASN A 58 1.219 5.380 8.933 1.00 0.00 N ATOM 0 H ASN A 58 1.617 3.604 5.243 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.322 5.495 6.317 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.709 5.589 6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.738 6.785 6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.226 4.862 9.812 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.723 6.269 8.869 1.00 0.00 H new ATOM 902 N TYR A 59 0.989 5.801 3.381 1.00 0.00 N ATOM 903 CA TYR A 59 0.975 6.584 2.150 1.00 0.00 C ATOM 904 C TYR A 59 -0.301 6.323 1.360 1.00 0.00 C ATOM 905 O TYR A 59 -0.539 6.942 0.323 1.00 0.00 O ATOM 906 CB TYR A 59 2.201 6.255 1.295 1.00 0.00 C ATOM 907 CG TYR A 59 3.333 7.250 1.445 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.739 7.692 2.699 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.995 7.748 0.330 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.772 8.599 2.836 1.00 0.00 C ATOM 911 CE2 TYR A 59 5.028 8.656 0.458 1.00 0.00 C ATOM 912 CZ TYR A 59 5.413 9.079 1.714 1.00 0.00 C ATOM 913 OH TYR A 59 6.442 9.983 1.847 1.00 0.00 O ATOM 0 H TYR A 59 1.382 4.865 3.281 1.00 0.00 H new ATOM 0 HA TYR A 59 1.006 7.640 2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.564 5.263 1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.902 6.214 0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.238 7.320 3.581 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.697 7.419 -0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.076 8.931 3.818 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.532 9.033 -0.420 1.00 0.00 H new ATOM 0 HH TYR A 59 6.786 10.220 0.960 1.00 0.00 H new ATOM 923 N VAL A 60 -1.115 5.398 1.855 1.00 0.00 N ATOM 924 CA VAL A 60 -2.376 5.055 1.208 1.00 0.00 C ATOM 925 C VAL A 60 -3.511 5.017 2.229 1.00 0.00 C ATOM 926 O VAL A 60 -3.283 4.750 3.409 1.00 0.00 O ATOM 927 CB VAL A 60 -2.284 3.696 0.487 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.204 3.730 -0.583 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.020 2.577 1.484 1.00 0.00 C ATOM 0 H VAL A 60 -0.923 4.870 2.706 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.584 5.827 0.467 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.240 3.500 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.154 2.762 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.441 4.502 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.241 3.950 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.958 1.626 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.080 2.766 2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.832 2.537 2.210 1.00 0.00 H new ATOM 939 N ARG A 61 -4.731 5.284 1.774 1.00 0.00 N ATOM 940 CA ARG A 61 -5.889 5.284 2.662 1.00 0.00 C ATOM 941 C ARG A 61 -7.079 4.577 2.019 1.00 0.00 C ATOM 942 O ARG A 61 -7.300 4.686 0.814 1.00 0.00 O ATOM 943 CB ARG A 61 -6.274 6.717 3.036 1.00 0.00 C ATOM 944 CG ARG A 61 -6.526 7.615 1.835 1.00 0.00 C ATOM 945 CD ARG A 61 -7.006 8.992 2.263 1.00 0.00 C ATOM 946 NE ARG A 61 -8.240 8.924 3.041 1.00 0.00 N ATOM 947 CZ ARG A 61 -8.877 9.992 3.512 1.00 0.00 C ATOM 948 NH1 ARG A 61 -8.402 11.208 3.279 1.00 0.00 N ATOM 949 NH2 ARG A 61 -9.991 9.844 4.215 1.00 0.00 N ATOM 0 H ARG A 61 -4.943 5.502 0.800 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.615 4.739 3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.171 6.693 3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.479 7.151 3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.610 7.712 1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.270 7.155 1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.231 9.478 2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.168 9.610 1.380 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.636 8.004 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.546 11.326 2.737 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.893 12.025 3.642 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.360 8.910 4.395 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.479 10.664 4.576 1.00 0.00 H new ATOM 963 N GLU A 62 -7.837 3.853 2.837 1.00 0.00 N ATOM 964 CA GLU A 62 -9.005 3.117 2.362 1.00 0.00 C ATOM 965 C GLU A 62 -9.963 4.029 1.601 1.00 0.00 C ATOM 966 O GLU A 62 -10.554 4.943 2.177 1.00 0.00 O ATOM 967 CB GLU A 62 -9.733 2.465 3.540 1.00 0.00 C ATOM 968 CG GLU A 62 -10.979 1.692 3.136 1.00 0.00 C ATOM 969 CD GLU A 62 -11.720 1.120 4.328 1.00 0.00 C ATOM 970 OE1 GLU A 62 -11.381 -0.002 4.756 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.642 1.796 4.834 1.00 0.00 O ATOM 0 H GLU A 62 -7.662 3.760 3.838 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.657 2.342 1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.047 1.790 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.012 3.238 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.646 2.350 2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.698 0.881 2.464 1.00 0.00 H new ATOM 978 N VAL A 63 -10.108 3.774 0.305 1.00 0.00 N ATOM 979 CA VAL A 63 -10.999 4.566 -0.533 1.00 0.00 C ATOM 980 C VAL A 63 -12.278 3.794 -0.848 1.00 0.00 C ATOM 981 O VAL A 63 -12.231 2.623 -1.227 1.00 0.00 O ATOM 982 CB VAL A 63 -10.316 4.988 -1.850 1.00 0.00 C ATOM 983 CG1 VAL A 63 -9.881 3.770 -2.652 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.238 5.876 -2.672 1.00 0.00 C ATOM 0 H VAL A 63 -9.620 3.025 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.250 5.465 0.029 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.423 5.562 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.402 4.095 -3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.176 3.181 -2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.753 3.161 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.738 6.163 -3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.152 5.332 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.486 6.771 -2.101 1.00 0.00 H new ATOM 994 N LYS A 64 -13.418 4.455 -0.682 1.00 0.00 N ATOM 995 CA LYS A 64 -14.707 3.828 -0.948 1.00 0.00 C ATOM 996 C LYS A 64 -15.741 4.867 -1.370 1.00 0.00 C ATOM 997 O LYS A 64 -15.993 5.834 -0.650 1.00 0.00 O ATOM 998 CB LYS A 64 -15.197 3.078 0.293 1.00 0.00 C ATOM 999 CG LYS A 64 -16.522 2.356 0.095 1.00 0.00 C ATOM 1000 CD LYS A 64 -16.415 1.237 -0.933 1.00 0.00 C ATOM 1001 CE LYS A 64 -15.715 0.011 -0.365 1.00 0.00 C ATOM 1002 NZ LYS A 64 -14.237 0.192 -0.287 1.00 0.00 N ATOM 0 H LYS A 64 -13.476 5.423 -0.365 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.577 3.119 -1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.440 2.352 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.299 3.785 1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.855 1.943 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -17.280 3.071 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.413 0.960 -1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.868 1.596 -1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.106 -0.200 0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.941 -0.855 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.763 -0.662 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.957 1.010 -0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.959 0.354 0.702 1.00 0.00 H new ATOM 1016 N ALA A 65 -16.336 4.657 -2.542 1.00 0.00 N ATOM 1017 CA ALA A 65 -17.343 5.572 -3.069 1.00 0.00 C ATOM 1018 C ALA A 65 -16.807 6.999 -3.138 1.00 0.00 C ATOM 1019 O ALA A 65 -17.062 7.773 -2.190 1.00 0.00 O ATOM 1020 CB ALA A 65 -18.605 5.517 -2.221 1.00 0.00 C ATOM 1021 OXT ALA A 65 -16.133 7.331 -4.136 1.00 0.00 O ATOM 0 H ALA A 65 -16.137 3.859 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.589 5.256 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.346 6.205 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.006 4.504 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.368 5.803 -1.196 1.00 0.00 H new TER 1027 ALA A 65 ATOM 1028 N ASP B 183 -8.188 13.706 9.354 1.00 0.00 N ATOM 1029 CA ASP B 183 -6.949 14.463 9.672 1.00 0.00 C ATOM 1030 C ASP B 183 -6.213 14.858 8.397 1.00 0.00 C ATOM 1031 O ASP B 183 -6.573 14.428 7.301 1.00 0.00 O ATOM 1032 CB ASP B 183 -6.031 13.621 10.560 1.00 0.00 C ATOM 1033 CG ASP B 183 -6.705 13.194 11.849 1.00 0.00 C ATOM 1034 OD1 ASP B 183 -6.783 14.023 12.779 1.00 0.00 O ATOM 1035 OD2 ASP B 183 -7.155 12.032 11.927 1.00 0.00 O ATOM 0 HA ASP B 183 -7.232 15.371 10.205 1.00 0.00 H new ATOM 0 HB2 ASP B 183 -5.711 12.736 10.010 1.00 0.00 H new ATOM 0 HB3 ASP B 183 -5.133 14.193 10.795 1.00 0.00 H new ATOM 1042 N ALA B 184 -5.181 15.682 8.549 1.00 0.00 N ATOM 1043 CA ALA B 184 -4.390 16.135 7.411 1.00 0.00 C ATOM 1044 C ALA B 184 -2.899 15.959 7.678 1.00 0.00 C ATOM 1045 O ALA B 184 -2.350 16.558 8.602 1.00 0.00 O ATOM 1046 CB ALA B 184 -4.702 17.590 7.095 1.00 0.00 C ATOM 0 H ALA B 184 -4.873 16.049 9.449 1.00 0.00 H new ATOM 0 HA ALA B 184 -4.655 15.523 6.549 1.00 0.00 H new ATOM 0 HB1 ALA B 184 -4.104 17.914 6.243 1.00 0.00 H new ATOM 0 HB2 ALA B 184 -5.760 17.691 6.855 1.00 0.00 H new ATOM 0 HB3 ALA B 184 -4.466 18.209 7.960 1.00 0.00 H new ATOM 1052 N THR B 185 -2.251 15.133 6.859 1.00 0.00 N ATOM 1053 CA THR B 185 -0.823 14.870 6.999 1.00 0.00 C ATOM 1054 C THR B 185 -0.499 14.292 8.380 1.00 0.00 C ATOM 1055 O THR B 185 -0.295 15.039 9.338 1.00 0.00 O ATOM 1056 CB THR B 185 0.007 16.150 6.780 1.00 0.00 C ATOM 1057 OG1 THR B 185 -0.316 16.733 5.513 1.00 0.00 O ATOM 1058 CG2 THR B 185 1.496 15.847 6.836 1.00 0.00 C ATOM 0 H THR B 185 -2.696 14.633 6.089 1.00 0.00 H new ATOM 0 HA THR B 185 -0.559 14.140 6.234 1.00 0.00 H new ATOM 0 HB THR B 185 -0.236 16.853 7.577 1.00 0.00 H new ATOM 0 HG1 THR B 185 0.214 17.547 5.383 1.00 0.00 H new ATOM 0 HG21 THR B 185 2.060 16.766 6.679 1.00 0.00 H new ATOM 0 HG22 THR B 185 1.746 15.430 7.812 1.00 0.00 H new ATOM 0 HG23 THR B 185 1.750 15.127 6.058 1.00 0.00 H new ATOM 1066 N PRO B 186 -0.449 12.951 8.500 1.00 0.00 N ATOM 1067 CA PRO B 186 -0.150 12.287 9.775 1.00 0.00 C ATOM 1068 C PRO B 186 1.311 12.463 10.190 1.00 0.00 C ATOM 1069 O PRO B 186 2.193 12.563 9.335 1.00 0.00 O ATOM 1070 CB PRO B 186 -0.450 10.814 9.484 1.00 0.00 C ATOM 1071 CG PRO B 186 -0.249 10.671 8.016 1.00 0.00 C ATOM 1072 CD PRO B 186 -0.679 11.978 7.411 1.00 0.00 C ATOM 0 HA PRO B 186 -0.732 12.700 10.599 1.00 0.00 H new ATOM 0 HB2 PRO B 186 0.217 10.156 10.041 1.00 0.00 H new ATOM 0 HB3 PRO B 186 -1.468 10.553 9.772 1.00 0.00 H new ATOM 0 HG2 PRO B 186 0.794 10.458 7.784 1.00 0.00 H new ATOM 0 HG3 PRO B 186 -0.839 9.845 7.620 1.00 0.00 H new ATOM 0 HD2 PRO B 186 -0.094 12.222 6.524 1.00 0.00 H new ATOM 0 HD3 PRO B 186 -1.725 11.955 7.107 1.00 0.00 H new ATOM 1080 N PRO B 187 1.590 12.505 11.511 1.00 0.00 N ATOM 1081 CA PRO B 187 2.955 12.669 12.019 1.00 0.00 C ATOM 1082 C PRO B 187 3.959 11.715 11.358 1.00 0.00 C ATOM 1083 O PRO B 187 5.026 12.153 10.929 1.00 0.00 O ATOM 1084 CB PRO B 187 2.822 12.383 13.518 1.00 0.00 C ATOM 1085 CG PRO B 187 1.406 12.715 13.842 1.00 0.00 C ATOM 1086 CD PRO B 187 0.602 12.403 12.606 1.00 0.00 C ATOM 0 HA PRO B 187 3.348 13.662 11.802 1.00 0.00 H new ATOM 0 HB2 PRO B 187 3.046 11.340 13.744 1.00 0.00 H new ATOM 0 HB3 PRO B 187 3.515 12.991 14.100 1.00 0.00 H new ATOM 0 HG2 PRO B 187 1.055 12.130 14.692 1.00 0.00 H new ATOM 0 HG3 PRO B 187 1.306 13.765 14.115 1.00 0.00 H new ATOM 0 HD2 PRO B 187 0.161 11.408 12.656 1.00 0.00 H new ATOM 0 HD3 PRO B 187 -0.218 13.109 12.473 1.00 0.00 H new ATOM 1094 N PRO B 188 3.647 10.399 11.256 1.00 0.00 N ATOM 1095 CA PRO B 188 4.550 9.433 10.626 1.00 0.00 C ATOM 1096 C PRO B 188 4.593 9.613 9.112 1.00 0.00 C ATOM 1097 O PRO B 188 3.809 10.376 8.549 1.00 0.00 O ATOM 1098 CB PRO B 188 3.949 8.065 10.984 1.00 0.00 C ATOM 1099 CG PRO B 188 2.884 8.341 11.993 1.00 0.00 C ATOM 1100 CD PRO B 188 2.421 9.742 11.735 1.00 0.00 C ATOM 0 HA PRO B 188 5.577 9.551 10.971 1.00 0.00 H new ATOM 0 HB2 PRO B 188 3.535 7.577 10.102 1.00 0.00 H new ATOM 0 HB3 PRO B 188 4.709 7.398 11.390 1.00 0.00 H new ATOM 0 HG2 PRO B 188 2.060 7.634 11.894 1.00 0.00 H new ATOM 0 HG3 PRO B 188 3.272 8.239 13.007 1.00 0.00 H new ATOM 0 HD2 PRO B 188 1.625 9.776 10.991 1.00 0.00 H new ATOM 0 HD3 PRO B 188 2.034 10.214 12.638 1.00 0.00 H new ATOM 1108 N VAL B 189 5.510 8.909 8.456 1.00 0.00 N ATOM 1109 CA VAL B 189 5.640 9.001 7.006 1.00 0.00 C ATOM 1110 C VAL B 189 5.389 7.653 6.333 1.00 0.00 C ATOM 1111 O VAL B 189 4.401 7.484 5.620 1.00 0.00 O ATOM 1112 CB VAL B 189 7.028 9.535 6.591 1.00 0.00 C ATOM 1113 CG1 VAL B 189 7.061 11.054 6.676 1.00 0.00 C ATOM 1114 CG2 VAL B 189 8.124 8.932 7.458 1.00 0.00 C ATOM 0 H VAL B 189 6.170 8.272 8.902 1.00 0.00 H new ATOM 0 HA VAL B 189 4.880 9.707 6.671 1.00 0.00 H new ATOM 0 HB VAL B 189 7.210 9.239 5.558 1.00 0.00 H new ATOM 0 HG11 VAL B 189 8.047 11.414 6.380 1.00 0.00 H new ATOM 0 HG12 VAL B 189 6.307 11.472 6.009 1.00 0.00 H new ATOM 0 HG13 VAL B 189 6.853 11.366 7.700 1.00 0.00 H new ATOM 0 HG21 VAL B 189 9.092 9.324 7.146 1.00 0.00 H new ATOM 0 HG22 VAL B 189 7.947 9.192 8.502 1.00 0.00 H new ATOM 0 HG23 VAL B 189 8.119 7.848 7.348 1.00 0.00 H new ATOM 1124 N ILE B 190 6.277 6.692 6.572 1.00 0.00 N ATOM 1125 CA ILE B 190 6.148 5.366 5.978 1.00 0.00 C ATOM 1126 C ILE B 190 6.021 4.293 7.055 1.00 0.00 C ATOM 1127 O ILE B 190 6.637 4.388 8.116 1.00 0.00 O ATOM 1128 CB ILE B 190 7.353 5.050 5.064 1.00 0.00 C ATOM 1129 CG1 ILE B 190 7.377 6.014 3.876 1.00 0.00 C ATOM 1130 CG2 ILE B 190 7.306 3.606 4.580 1.00 0.00 C ATOM 1131 CD1 ILE B 190 8.649 5.939 3.058 1.00 0.00 C ATOM 0 H ILE B 190 7.093 6.807 7.173 1.00 0.00 H new ATOM 0 HA ILE B 190 5.240 5.365 5.375 1.00 0.00 H new ATOM 0 HB ILE B 190 8.268 5.180 5.642 1.00 0.00 H new ATOM 0 HG12 ILE B 190 6.526 5.801 3.229 1.00 0.00 H new ATOM 0 HG13 ILE B 190 7.251 7.033 4.243 1.00 0.00 H new ATOM 0 HG21 ILE B 190 8.165 3.409 3.939 1.00 0.00 H new ATOM 0 HG22 ILE B 190 7.332 2.934 5.438 1.00 0.00 H new ATOM 0 HG23 ILE B 190 6.387 3.441 4.017 1.00 0.00 H new ATOM 0 HD11 ILE B 190 8.594 6.650 2.234 1.00 0.00 H new ATOM 0 HD12 ILE B 190 9.503 6.182 3.690 1.00 0.00 H new ATOM 0 HD13 ILE B 190 8.767 4.931 2.660 1.00 0.00 H new ATOM 1143 N ALA B 191 5.212 3.273 6.773 1.00 0.00 N ATOM 1144 CA ALA B 191 4.991 2.181 7.714 1.00 0.00 C ATOM 1145 C ALA B 191 6.307 1.529 8.134 1.00 0.00 C ATOM 1146 O ALA B 191 7.273 1.519 7.371 1.00 0.00 O ATOM 1147 CB ALA B 191 4.058 1.148 7.103 1.00 0.00 C ATOM 0 H ALA B 191 4.698 3.182 5.897 1.00 0.00 H new ATOM 0 HA ALA B 191 4.528 2.596 8.609 1.00 0.00 H new ATOM 0 HB1 ALA B 191 3.899 0.336 7.813 1.00 0.00 H new ATOM 0 HB2 ALA B 191 3.102 1.616 6.866 1.00 0.00 H new ATOM 0 HB3 ALA B 191 4.503 0.750 6.191 1.00 0.00 H new ATOM 1153 N PRO B 192 6.361 0.974 9.361 1.00 0.00 N ATOM 1154 CA PRO B 192 7.566 0.319 9.876 1.00 0.00 C ATOM 1155 C PRO B 192 7.805 -1.040 9.230 1.00 0.00 C ATOM 1156 O PRO B 192 6.898 -1.869 9.154 1.00 0.00 O ATOM 1157 CB PRO B 192 7.267 0.154 11.366 1.00 0.00 C ATOM 1158 CG PRO B 192 5.783 0.065 11.442 1.00 0.00 C ATOM 1159 CD PRO B 192 5.254 0.942 10.339 1.00 0.00 C ATOM 0 HA PRO B 192 8.466 0.897 9.668 1.00 0.00 H new ATOM 0 HB2 PRO B 192 7.739 -0.742 11.769 1.00 0.00 H new ATOM 0 HB3 PRO B 192 7.644 0.999 11.942 1.00 0.00 H new ATOM 0 HG2 PRO B 192 5.448 -0.964 11.316 1.00 0.00 H new ATOM 0 HG3 PRO B 192 5.422 0.401 12.414 1.00 0.00 H new ATOM 0 HD2 PRO B 192 4.344 0.531 9.902 1.00 0.00 H new ATOM 0 HD3 PRO B 192 5.011 1.940 10.702 1.00 0.00 H new ATOM 1167 N ARG B 193 9.029 -1.261 8.764 1.00 0.00 N ATOM 1168 CA ARG B 193 9.386 -2.522 8.125 1.00 0.00 C ATOM 1169 C ARG B 193 9.490 -3.657 9.150 1.00 0.00 C ATOM 1170 O ARG B 193 8.888 -4.715 8.961 1.00 0.00 O ATOM 1171 CB ARG B 193 10.701 -2.379 7.352 1.00 0.00 C ATOM 1172 CG ARG B 193 10.628 -1.378 6.210 1.00 0.00 C ATOM 1173 CD ARG B 193 11.966 -1.245 5.501 1.00 0.00 C ATOM 1174 NE ARG B 193 13.017 -0.775 6.401 1.00 0.00 N ATOM 1175 CZ ARG B 193 14.236 -0.433 5.996 1.00 0.00 C ATOM 1176 NH1 ARG B 193 14.559 -0.512 4.713 1.00 0.00 N ATOM 1177 NH2 ARG B 193 15.134 -0.013 6.876 1.00 0.00 N ATOM 0 H ARG B 193 9.790 -0.584 8.817 1.00 0.00 H new ATOM 0 HA ARG B 193 8.592 -2.776 7.423 1.00 0.00 H new ATOM 0 HB2 ARG B 193 11.488 -2.074 8.042 1.00 0.00 H new ATOM 0 HB3 ARG B 193 10.987 -3.353 6.954 1.00 0.00 H new ATOM 0 HG2 ARG B 193 9.866 -1.693 5.497 1.00 0.00 H new ATOM 0 HG3 ARG B 193 10.321 -0.406 6.596 1.00 0.00 H new ATOM 0 HD2 ARG B 193 12.252 -2.210 5.082 1.00 0.00 H new ATOM 0 HD3 ARG B 193 11.867 -0.552 4.666 1.00 0.00 H new ATOM 0 HE ARG B 193 12.803 -0.705 7.396 1.00 0.00 H new ATOM 0 HH11 ARG B 193 13.871 -0.836 4.033 1.00 0.00 H new ATOM 0 HH12 ARG B 193 15.495 -0.249 4.406 1.00 0.00 H new ATOM 0 HH21 ARG B 193 14.890 0.048 7.864 1.00 0.00 H new ATOM 0 HH22 ARG B 193 16.069 0.249 6.565 1.00 0.00 H new ATOM 1191 N PRO B 194 10.248 -3.463 10.253 1.00 0.00 N ATOM 1192 CA PRO B 194 10.402 -4.493 11.284 1.00 0.00 C ATOM 1193 C PRO B 194 9.200 -4.559 12.222 1.00 0.00 C ATOM 1194 O PRO B 194 8.860 -3.577 12.881 1.00 0.00 O ATOM 1195 CB PRO B 194 11.647 -4.041 12.042 1.00 0.00 C ATOM 1196 CG PRO B 194 11.647 -2.557 11.916 1.00 0.00 C ATOM 1197 CD PRO B 194 11.012 -2.241 10.586 1.00 0.00 C ATOM 0 HA PRO B 194 10.482 -5.493 10.857 1.00 0.00 H new ATOM 0 HB2 PRO B 194 11.609 -4.350 13.087 1.00 0.00 H new ATOM 0 HB3 PRO B 194 12.551 -4.475 11.614 1.00 0.00 H new ATOM 0 HG2 PRO B 194 11.088 -2.098 12.732 1.00 0.00 H new ATOM 0 HG3 PRO B 194 12.662 -2.163 11.965 1.00 0.00 H new ATOM 0 HD2 PRO B 194 10.361 -1.369 10.652 1.00 0.00 H new ATOM 0 HD3 PRO B 194 11.763 -2.021 9.827 1.00 0.00 H new ATOM 1205 N GLU B 195 8.563 -5.724 12.275 1.00 0.00 N ATOM 1206 CA GLU B 195 7.400 -5.920 13.132 1.00 0.00 C ATOM 1207 C GLU B 195 7.160 -7.404 13.393 1.00 0.00 C ATOM 1208 O GLU B 195 7.303 -7.879 14.520 1.00 0.00 O ATOM 1209 CB GLU B 195 6.157 -5.298 12.492 1.00 0.00 C ATOM 1210 CG GLU B 195 4.898 -5.455 13.329 1.00 0.00 C ATOM 1211 CD GLU B 195 3.678 -4.848 12.666 1.00 0.00 C ATOM 1212 OE1 GLU B 195 3.021 -5.553 11.870 1.00 0.00 O ATOM 1213 OE2 GLU B 195 3.379 -3.667 12.940 1.00 0.00 O ATOM 0 H GLU B 195 8.833 -6.546 11.735 1.00 0.00 H new ATOM 0 HA GLU B 195 7.596 -5.428 14.084 1.00 0.00 H new ATOM 0 HB2 GLU B 195 6.339 -4.237 12.321 1.00 0.00 H new ATOM 0 HB3 GLU B 195 5.994 -5.755 11.516 1.00 0.00 H new ATOM 0 HG2 GLU B 195 4.718 -6.514 13.513 1.00 0.00 H new ATOM 0 HG3 GLU B 195 5.051 -4.985 14.300 1.00 0.00 H new ATOM 1220 N HIS B 196 6.794 -8.130 12.340 1.00 0.00 N ATOM 1221 CA HIS B 196 6.531 -9.560 12.448 1.00 0.00 C ATOM 1222 C HIS B 196 6.883 -10.271 11.146 1.00 0.00 C ATOM 1223 O HIS B 196 7.680 -11.208 11.135 1.00 0.00 O ATOM 1224 CB HIS B 196 5.060 -9.801 12.797 1.00 0.00 C ATOM 1225 CG HIS B 196 4.731 -11.236 13.070 1.00 0.00 C ATOM 1226 ND1 HIS B 196 4.793 -11.796 14.330 1.00 0.00 N ATOM 1227 CD2 HIS B 196 4.328 -12.228 12.240 1.00 0.00 C ATOM 1228 CE1 HIS B 196 4.442 -13.068 14.262 1.00 0.00 C ATOM 1229 NE2 HIS B 196 4.156 -13.354 13.005 1.00 0.00 N ATOM 0 H HIS B 196 6.673 -7.750 11.401 1.00 0.00 H new ATOM 0 HA HIS B 196 7.156 -9.966 13.244 1.00 0.00 H new ATOM 0 HB2 HIS B 196 4.802 -9.206 13.673 1.00 0.00 H new ATOM 0 HB3 HIS B 196 4.438 -9.445 11.975 1.00 0.00 H new ATOM 0 HD2 HIS B 196 4.171 -12.148 11.174 1.00 0.00 H new ATOM 0 HE1 HIS B 196 4.397 -13.756 15.093 1.00 0.00 H new ATOM 0 HE2 HIS B 196 3.856 -14.265 12.659 1.00 0.00 H new ATOM 1238 N THR B 197 6.284 -9.815 10.049 1.00 0.00 N ATOM 1239 CA THR B 197 6.534 -10.407 8.740 1.00 0.00 C ATOM 1240 C THR B 197 7.099 -9.375 7.767 1.00 0.00 C ATOM 1241 O THR B 197 6.492 -8.330 7.530 1.00 0.00 O ATOM 1242 CB THR B 197 5.254 -11.018 8.141 1.00 0.00 C ATOM 1243 OG1 THR B 197 5.499 -11.445 6.794 1.00 0.00 O ATOM 1244 CG2 THR B 197 4.109 -10.016 8.162 1.00 0.00 C ATOM 0 H THR B 197 5.623 -9.038 10.042 1.00 0.00 H new ATOM 0 HA THR B 197 7.267 -11.200 8.889 1.00 0.00 H new ATOM 0 HB THR B 197 4.971 -11.877 8.749 1.00 0.00 H new ATOM 0 HG1 THR B 197 4.681 -11.834 6.420 1.00 0.00 H new ATOM 0 HG21 THR B 197 3.217 -10.473 7.733 1.00 0.00 H new ATOM 0 HG22 THR B 197 3.905 -9.718 9.190 1.00 0.00 H new ATOM 0 HG23 THR B 197 4.383 -9.138 7.577 1.00 0.00 H new ATOM 1252 N LYS B 198 8.266 -9.677 7.208 1.00 0.00 N ATOM 1253 CA LYS B 198 8.916 -8.782 6.259 1.00 0.00 C ATOM 1254 C LYS B 198 10.023 -9.509 5.503 1.00 0.00 C ATOM 1255 O LYS B 198 10.670 -10.407 6.041 1.00 0.00 O ATOM 1256 CB LYS B 198 9.496 -7.564 6.983 1.00 0.00 C ATOM 1257 CG LYS B 198 10.130 -6.545 6.050 1.00 0.00 C ATOM 1258 CD LYS B 198 9.089 -5.851 5.186 1.00 0.00 C ATOM 1259 CE LYS B 198 9.736 -5.001 4.106 1.00 0.00 C ATOM 1260 NZ LYS B 198 8.725 -4.269 3.295 1.00 0.00 N ATOM 0 H LYS B 198 8.782 -10.537 7.397 1.00 0.00 H new ATOM 0 HA LYS B 198 8.166 -8.446 5.543 1.00 0.00 H new ATOM 0 HB2 LYS B 198 8.703 -7.079 7.552 1.00 0.00 H new ATOM 0 HB3 LYS B 198 10.244 -7.901 7.701 1.00 0.00 H new ATOM 0 HG2 LYS B 198 10.671 -5.802 6.636 1.00 0.00 H new ATOM 0 HG3 LYS B 198 10.861 -7.041 5.412 1.00 0.00 H new ATOM 0 HD2 LYS B 198 8.443 -6.597 4.724 1.00 0.00 H new ATOM 0 HD3 LYS B 198 8.455 -5.224 5.812 1.00 0.00 H new ATOM 0 HE2 LYS B 198 10.418 -4.286 4.567 1.00 0.00 H new ATOM 0 HE3 LYS B 198 10.334 -5.637 3.453 1.00 0.00 H new ATOM 0 HZ1 LYS B 198 9.148 -3.983 2.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 198 7.909 -4.888 3.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 198 8.411 -3.423 3.812 1.00 0.00 H new ATOM 1274 N SER B 199 10.234 -9.114 4.251 1.00 0.00 N ATOM 1275 CA SER B 199 11.266 -9.726 3.422 1.00 0.00 C ATOM 1276 C SER B 199 12.657 -9.377 3.940 1.00 0.00 C ATOM 1277 O SER B 199 12.834 -8.388 4.652 1.00 0.00 O ATOM 1278 CB SER B 199 11.121 -9.269 1.971 1.00 0.00 C ATOM 1279 OG SER B 199 9.866 -9.655 1.436 1.00 0.00 O ATOM 0 H SER B 199 9.705 -8.374 3.789 1.00 0.00 H new ATOM 0 HA SER B 199 11.141 -10.808 3.469 1.00 0.00 H new ATOM 0 HB2 SER B 199 11.225 -8.185 1.916 1.00 0.00 H new ATOM 0 HB3 SER B 199 11.923 -9.697 1.370 1.00 0.00 H new ATOM 0 HG SER B 199 9.798 -9.349 0.507 1.00 0.00 H new ATOM 1285 N VAL B 200 13.639 -10.196 3.579 1.00 0.00 N ATOM 1286 CA VAL B 200 15.014 -9.975 4.007 1.00 0.00 C ATOM 1287 C VAL B 200 15.840 -9.333 2.897 1.00 0.00 C ATOM 1288 O VAL B 200 16.310 -10.013 1.983 1.00 0.00 O ATOM 1289 CB VAL B 200 15.685 -11.290 4.457 1.00 0.00 C ATOM 1290 CG1 VAL B 200 15.208 -11.682 5.847 1.00 0.00 C ATOM 1291 CG2 VAL B 200 15.405 -12.408 3.462 1.00 0.00 C ATOM 0 H VAL B 200 13.507 -11.019 2.991 1.00 0.00 H new ATOM 0 HA VAL B 200 14.976 -9.295 4.858 1.00 0.00 H new ATOM 0 HB VAL B 200 16.762 -11.128 4.493 1.00 0.00 H new ATOM 0 HG11 VAL B 200 15.691 -12.611 6.149 1.00 0.00 H new ATOM 0 HG12 VAL B 200 15.464 -10.894 6.555 1.00 0.00 H new ATOM 0 HG13 VAL B 200 14.127 -11.822 5.835 1.00 0.00 H new ATOM 0 HG21 VAL B 200 15.888 -13.325 3.800 1.00 0.00 H new ATOM 0 HG22 VAL B 200 14.329 -12.570 3.389 1.00 0.00 H new ATOM 0 HG23 VAL B 200 15.797 -12.131 2.483 1.00 0.00 H new ATOM 1301 N TYR B 201 16.004 -8.013 2.983 1.00 0.00 N ATOM 1302 CA TYR B 201 16.766 -7.256 1.993 1.00 0.00 C ATOM 1303 C TYR B 201 16.098 -7.324 0.623 1.00 0.00 C ATOM 1304 O TYR B 201 16.054 -8.381 -0.006 1.00 0.00 O ATOM 1305 CB TYR B 201 18.206 -7.775 1.902 1.00 0.00 C ATOM 1306 CG TYR B 201 18.963 -7.700 3.207 1.00 0.00 C ATOM 1307 CD1 TYR B 201 19.522 -6.504 3.641 1.00 0.00 C ATOM 1308 CD2 TYR B 201 19.125 -8.826 4.004 1.00 0.00 C ATOM 1309 CE1 TYR B 201 20.218 -6.432 4.833 1.00 0.00 C ATOM 1310 CE2 TYR B 201 19.819 -8.762 5.198 1.00 0.00 C ATOM 1311 CZ TYR B 201 20.365 -7.564 5.606 1.00 0.00 C ATOM 1312 OH TYR B 201 21.057 -7.497 6.794 1.00 0.00 O ATOM 0 H TYR B 201 15.616 -7.443 3.735 1.00 0.00 H new ATOM 0 HA TYR B 201 16.790 -6.215 2.316 1.00 0.00 H new ATOM 0 HB2 TYR B 201 18.189 -8.810 1.561 1.00 0.00 H new ATOM 0 HB3 TYR B 201 18.743 -7.200 1.147 1.00 0.00 H new ATOM 0 HD1 TYR B 201 19.411 -5.616 3.037 1.00 0.00 H new ATOM 0 HD2 TYR B 201 18.702 -9.767 3.686 1.00 0.00 H new ATOM 0 HE1 TYR B 201 20.644 -5.494 5.157 1.00 0.00 H new ATOM 0 HE2 TYR B 201 19.933 -9.646 5.808 1.00 0.00 H new ATOM 0 HH TYR B 201 21.068 -8.381 7.217 1.00 0.00 H new ATOM 1322 N THR B 202 15.577 -6.188 0.167 1.00 0.00 N ATOM 1323 CA THR B 202 14.911 -6.119 -1.129 1.00 0.00 C ATOM 1324 C THR B 202 15.245 -4.819 -1.855 1.00 0.00 C ATOM 1325 O THR B 202 14.843 -4.618 -3.002 1.00 0.00 O ATOM 1326 CB THR B 202 13.381 -6.235 -0.978 1.00 0.00 C ATOM 1327 OG1 THR B 202 12.755 -6.180 -2.266 1.00 0.00 O ATOM 1328 CG2 THR B 202 12.835 -5.120 -0.098 1.00 0.00 C ATOM 0 H THR B 202 15.603 -5.304 0.675 1.00 0.00 H new ATOM 0 HA THR B 202 15.277 -6.960 -1.718 1.00 0.00 H new ATOM 0 HB THR B 202 13.159 -7.192 -0.505 1.00 0.00 H new ATOM 0 HG1 THR B 202 13.280 -5.604 -2.860 1.00 0.00 H new ATOM 0 HG21 THR B 202 11.754 -5.224 -0.007 1.00 0.00 H new ATOM 0 HG22 THR B 202 13.290 -5.181 0.891 1.00 0.00 H new ATOM 0 HG23 THR B 202 13.070 -4.155 -0.546 1.00 0.00 H new ATOM 1336 N ARG B 203 15.981 -3.941 -1.183 1.00 0.00 N ATOM 1337 CA ARG B 203 16.368 -2.662 -1.768 1.00 0.00 C ATOM 1338 C ARG B 203 17.477 -2.850 -2.798 1.00 0.00 C ATOM 1339 O ARG B 203 18.497 -3.479 -2.517 1.00 0.00 O ATOM 1340 CB ARG B 203 16.830 -1.693 -0.675 1.00 0.00 C ATOM 1341 CG ARG B 203 17.155 -0.301 -1.193 1.00 0.00 C ATOM 1342 CD ARG B 203 17.612 0.618 -0.071 1.00 0.00 C ATOM 1343 NE ARG B 203 17.890 1.970 -0.550 1.00 0.00 N ATOM 1344 CZ ARG B 203 18.378 2.940 0.219 1.00 0.00 C ATOM 1345 NH1 ARG B 203 18.662 2.703 1.494 1.00 0.00 N ATOM 1346 NH2 ARG B 203 18.590 4.146 -0.287 1.00 0.00 N ATOM 0 H ARG B 203 16.322 -4.091 -0.233 1.00 0.00 H new ATOM 0 HA ARG B 203 15.496 -2.242 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG B 203 16.051 -1.616 0.084 1.00 0.00 H new ATOM 0 HB3 ARG B 203 17.713 -2.105 -0.186 1.00 0.00 H new ATOM 0 HG2 ARG B 203 17.935 -0.367 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG B 203 16.275 0.123 -1.677 1.00 0.00 H new ATOM 0 HD2 ARG B 203 16.843 0.658 0.701 1.00 0.00 H new ATOM 0 HD3 ARG B 203 18.508 0.206 0.393 1.00 0.00 H new ATOM 0 HE ARG B 203 17.699 2.182 -1.529 1.00 0.00 H new ATOM 0 HH11 ARG B 203 18.506 1.775 1.887 1.00 0.00 H new ATOM 0 HH12 ARG B 203 19.036 3.449 2.080 1.00 0.00 H new ATOM 0 HH21 ARG B 203 18.379 4.332 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG B 203 18.964 4.888 0.304 1.00 0.00 H new ATOM 1360 N SER B 204 17.268 -2.304 -3.991 1.00 0.00 N ATOM 1361 CA SER B 204 18.251 -2.412 -5.065 1.00 0.00 C ATOM 1362 C SER B 204 19.448 -1.505 -4.800 1.00 0.00 C ATOM 1363 O SER B 204 20.435 -1.987 -4.205 1.00 0.00 O ATOM 1364 CB SER B 204 17.611 -2.054 -6.407 1.00 0.00 C ATOM 1365 OG SER B 204 16.536 -2.927 -6.708 1.00 0.00 O ATOM 1366 OXT SER B 204 19.391 -0.319 -5.190 1.00 0.00 O ATOM 0 H SER B 204 16.427 -1.782 -4.240 1.00 0.00 H new ATOM 0 HA SER B 204 18.602 -3.443 -5.101 1.00 0.00 H new ATOM 0 HB2 SER B 204 17.251 -1.025 -6.379 1.00 0.00 H new ATOM 0 HB3 SER B 204 18.360 -2.109 -7.197 1.00 0.00 H new ATOM 0 HG SER B 204 16.053 -2.593 -7.492 1.00 0.00 H new TER 1372 SER B 204