USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 615 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 57 SER OG : rot -120:sc= 0 USER MOD Set 1.2: A 59 MET CE :methyl -165:sc= -3.76! (180deg=-4.85!) USER MOD Set 2.1: A 40 MET CE :methyl -104:sc= -4.15! (180deg=-10!) USER MOD Set 2.2: A 47 THR OG1 : rot 180:sc= -0.0135 USER MOD Set 3.1: A 23 ASN : amide:sc= -3.95! C(o=-6.3!,f=-13!) USER MOD Set 3.2: A 24 GLN :FLIP amide:sc= -2.31 F(o=-8.5!,f=-6.3) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0681 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 140:sc= -1.27 USER MOD Single : A 10 HIS : no HD1:sc= -2.71! X(o=-2.7!,f=-2.9) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -13:sc= 0.552 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 156:sc= -0.0333 (180deg=-1.33) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 74:sc= 0.679 USER MOD Single : A 34 GLN : amide:sc=-0.00269 K(o=-0.0027,f=-1) USER MOD Single : A 39 ASN : amide:sc=-0.00833 K(o=-0.0083,f=-3.2!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 160:sc= -0.127 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.125 K(o=-0.12,f=-2.3!) USER MOD Single : A 62 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 140:sc= 0 USER MOD Single : A 82 SER OG : rot 57:sc= 1 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.433 -5.120 -20.246 1.00 0.00 N ATOM 2 CA GLY A 1 -0.886 -5.490 -19.761 1.00 0.00 C ATOM 3 C GLY A 1 -0.796 -6.176 -18.396 1.00 0.00 C ATOM 4 O GLY A 1 0.175 -5.986 -17.665 1.00 0.00 O ATOM 0 H1 GLY A 1 0.418 -4.134 -20.575 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.126 -5.217 -19.476 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.701 -5.744 -21.034 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.512 -4.601 -19.685 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.366 -6.157 -20.476 1.00 0.00 H new ATOM 8 N SER A 2 -1.821 -6.959 -18.094 1.00 0.00 N ATOM 9 CA SER A 2 -1.870 -7.674 -16.830 1.00 0.00 C ATOM 10 C SER A 2 -1.867 -6.680 -15.666 1.00 0.00 C ATOM 11 O SER A 2 -0.807 -6.309 -15.165 1.00 0.00 O ATOM 12 CB SER A 2 -0.695 -8.645 -16.701 1.00 0.00 C ATOM 13 OG SER A 2 -1.099 -10.000 -16.881 1.00 0.00 O ATOM 0 H SER A 2 -2.624 -7.114 -18.703 1.00 0.00 H new ATOM 0 HA SER A 2 -2.792 -8.255 -16.801 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.066 -8.393 -17.439 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.237 -8.531 -15.719 1.00 0.00 H new ATOM 0 HG SER A 2 -0.320 -10.588 -16.793 1.00 0.00 H new ATOM 19 N SER A 3 -3.066 -6.278 -15.271 1.00 0.00 N ATOM 20 CA SER A 3 -3.215 -5.335 -14.176 1.00 0.00 C ATOM 21 C SER A 3 -4.423 -5.717 -13.317 1.00 0.00 C ATOM 22 O SER A 3 -5.420 -6.220 -13.832 1.00 0.00 O ATOM 23 CB SER A 3 -3.366 -3.905 -14.697 1.00 0.00 C ATOM 24 OG SER A 3 -3.767 -3.002 -13.671 1.00 0.00 O ATOM 0 H SER A 3 -3.943 -6.588 -15.690 1.00 0.00 H new ATOM 0 HA SER A 3 -2.314 -5.377 -13.564 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.419 -3.573 -15.123 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.101 -3.888 -15.502 1.00 0.00 H new ATOM 0 HG SER A 3 -3.851 -2.100 -14.044 1.00 0.00 H new ATOM 30 N GLY A 4 -4.293 -5.463 -12.024 1.00 0.00 N ATOM 31 CA GLY A 4 -5.362 -5.773 -11.089 1.00 0.00 C ATOM 32 C GLY A 4 -5.672 -4.573 -10.192 1.00 0.00 C ATOM 33 O GLY A 4 -4.976 -3.560 -10.242 1.00 0.00 O ATOM 0 H GLY A 4 -3.464 -5.046 -11.601 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.258 -6.062 -11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.076 -6.627 -10.474 1.00 0.00 H new ATOM 37 N SER A 5 -6.718 -4.727 -9.394 1.00 0.00 N ATOM 38 CA SER A 5 -7.129 -3.668 -8.487 1.00 0.00 C ATOM 39 C SER A 5 -5.965 -3.280 -7.573 1.00 0.00 C ATOM 40 O SER A 5 -4.903 -3.899 -7.619 1.00 0.00 O ATOM 41 CB SER A 5 -8.339 -4.096 -7.654 1.00 0.00 C ATOM 42 OG SER A 5 -9.460 -3.241 -7.862 1.00 0.00 O ATOM 0 H SER A 5 -7.293 -5.568 -9.356 1.00 0.00 H new ATOM 0 HA SER A 5 -7.419 -2.802 -9.081 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.612 -5.120 -7.910 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.071 -4.092 -6.597 1.00 0.00 H new ATOM 0 HG SER A 5 -10.212 -3.549 -7.314 1.00 0.00 H new ATOM 48 N SER A 6 -6.204 -2.258 -6.765 1.00 0.00 N ATOM 49 CA SER A 6 -5.189 -1.780 -5.842 1.00 0.00 C ATOM 50 C SER A 6 -3.845 -1.653 -6.562 1.00 0.00 C ATOM 51 O SER A 6 -3.098 -2.625 -6.666 1.00 0.00 O ATOM 52 CB SER A 6 -5.059 -2.713 -4.636 1.00 0.00 C ATOM 53 OG SER A 6 -6.277 -3.398 -4.357 1.00 0.00 O ATOM 0 H SER A 6 -7.086 -1.747 -6.730 1.00 0.00 H new ATOM 0 HA SER A 6 -5.493 -0.799 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.269 -3.440 -4.824 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.759 -2.135 -3.761 1.00 0.00 H new ATOM 0 HG SER A 6 -6.081 -4.326 -4.109 1.00 0.00 H new ATOM 59 N GLY A 7 -3.578 -0.447 -7.041 1.00 0.00 N ATOM 60 CA GLY A 7 -2.337 -0.180 -7.748 1.00 0.00 C ATOM 61 C GLY A 7 -1.195 0.092 -6.767 1.00 0.00 C ATOM 62 O GLY A 7 -0.833 1.244 -6.534 1.00 0.00 O ATOM 0 H GLY A 7 -4.200 0.357 -6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.084 -1.031 -8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.467 0.678 -8.407 1.00 0.00 H new ATOM 66 N LEU A 8 -0.659 -0.989 -6.219 1.00 0.00 N ATOM 67 CA LEU A 8 0.436 -0.881 -5.269 1.00 0.00 C ATOM 68 C LEU A 8 1.621 -1.710 -5.767 1.00 0.00 C ATOM 69 O LEU A 8 2.745 -1.214 -5.836 1.00 0.00 O ATOM 70 CB LEU A 8 -0.035 -1.264 -3.864 1.00 0.00 C ATOM 71 CG LEU A 8 -0.656 -0.138 -3.035 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.832 0.503 -3.774 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.055 -0.637 -1.645 1.00 0.00 C ATOM 0 H LEU A 8 -0.962 -1.943 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 8 0.777 0.152 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.766 -2.068 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.816 -1.667 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 8 0.097 0.638 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.255 1.300 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.485 0.917 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.595 -0.251 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.494 0.183 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.784 -1.442 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.172 -1.008 -1.124 1.00 0.00 H new ATOM 85 N ASP A 9 1.330 -2.959 -6.102 1.00 0.00 N ATOM 86 CA ASP A 9 2.359 -3.861 -6.592 1.00 0.00 C ATOM 87 C ASP A 9 3.233 -3.126 -7.609 1.00 0.00 C ATOM 88 O ASP A 9 4.444 -3.337 -7.660 1.00 0.00 O ATOM 89 CB ASP A 9 1.740 -5.074 -7.289 1.00 0.00 C ATOM 90 CG ASP A 9 0.718 -4.743 -8.378 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.448 -4.490 -8.005 1.00 0.00 O ATOM 92 OD2 ASP A 9 1.126 -4.750 -9.560 1.00 0.00 O ATOM 0 H ASP A 9 0.397 -3.367 -6.044 1.00 0.00 H new ATOM 0 HA ASP A 9 2.948 -4.197 -5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.540 -5.667 -7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.258 -5.699 -6.537 1.00 0.00 H new ATOM 97 N HIS A 10 2.586 -2.278 -8.395 1.00 0.00 N ATOM 98 CA HIS A 10 3.290 -1.510 -9.408 1.00 0.00 C ATOM 99 C HIS A 10 4.117 -0.411 -8.738 1.00 0.00 C ATOM 100 O HIS A 10 5.255 -0.160 -9.129 1.00 0.00 O ATOM 101 CB HIS A 10 2.314 -0.964 -10.452 1.00 0.00 C ATOM 102 CG HIS A 10 1.750 0.395 -10.113 1.00 0.00 C ATOM 103 ND1 HIS A 10 0.736 0.577 -9.189 1.00 0.00 N ATOM 104 CD2 HIS A 10 2.069 1.635 -10.584 1.00 0.00 C ATOM 105 CE1 HIS A 10 0.464 1.872 -9.116 1.00 0.00 C ATOM 106 NE2 HIS A 10 1.291 2.526 -9.981 1.00 0.00 N ATOM 0 H HIS A 10 1.582 -2.106 -8.351 1.00 0.00 H new ATOM 0 HA HIS A 10 3.981 -2.159 -9.946 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.822 -0.905 -11.414 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.491 -1.669 -10.569 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.826 1.855 -11.322 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.282 2.329 -8.483 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.309 3.534 -10.139 1.00 0.00 H new ATOM 114 N ILE A 11 3.512 0.214 -7.738 1.00 0.00 N ATOM 115 CA ILE A 11 4.178 1.280 -7.009 1.00 0.00 C ATOM 116 C ILE A 11 5.564 0.804 -6.572 1.00 0.00 C ATOM 117 O ILE A 11 5.797 -0.396 -6.431 1.00 0.00 O ATOM 118 CB ILE A 11 3.302 1.767 -5.854 1.00 0.00 C ATOM 119 CG1 ILE A 11 2.040 2.457 -6.375 1.00 0.00 C ATOM 120 CG2 ILE A 11 4.096 2.667 -4.905 1.00 0.00 C ATOM 121 CD1 ILE A 11 1.254 3.100 -5.231 1.00 0.00 C ATOM 0 H ILE A 11 2.568 0.002 -7.416 1.00 0.00 H new ATOM 0 HA ILE A 11 4.327 2.147 -7.653 1.00 0.00 H new ATOM 0 HB ILE A 11 2.980 0.898 -5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.313 3.218 -7.106 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.411 1.731 -6.890 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.450 2.999 -4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.938 2.110 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.467 3.534 -5.451 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.362 3.583 -5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.962 2.333 -4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.878 3.843 -4.733 1.00 0.00 H new ATOM 133 N THR A 12 6.450 1.768 -6.370 1.00 0.00 N ATOM 134 CA THR A 12 7.807 1.463 -5.951 1.00 0.00 C ATOM 135 C THR A 12 8.102 2.100 -4.592 1.00 0.00 C ATOM 136 O THR A 12 7.596 3.178 -4.284 1.00 0.00 O ATOM 137 CB THR A 12 8.758 1.924 -7.057 1.00 0.00 C ATOM 138 OG1 THR A 12 8.062 1.620 -8.263 1.00 0.00 O ATOM 139 CG2 THR A 12 10.025 1.070 -7.134 1.00 0.00 C ATOM 0 H THR A 12 6.254 2.762 -6.489 1.00 0.00 H new ATOM 0 HA THR A 12 7.945 0.391 -5.809 1.00 0.00 H new ATOM 0 HB THR A 12 9.032 2.966 -6.889 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.607 1.888 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.665 1.440 -7.935 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.560 1.127 -6.186 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.754 0.034 -7.336 1.00 0.00 H new ATOM 147 N VAL A 13 8.920 1.405 -3.814 1.00 0.00 N ATOM 148 CA VAL A 13 9.288 1.890 -2.494 1.00 0.00 C ATOM 149 C VAL A 13 10.803 2.096 -2.436 1.00 0.00 C ATOM 150 O VAL A 13 11.569 1.206 -2.802 1.00 0.00 O ATOM 151 CB VAL A 13 8.774 0.927 -1.421 1.00 0.00 C ATOM 152 CG1 VAL A 13 8.995 1.500 -0.020 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.300 0.589 -1.649 1.00 0.00 C ATOM 0 H VAL A 13 9.338 0.511 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 13 8.821 2.855 -2.297 1.00 0.00 H new ATOM 0 HB VAL A 13 9.345 0.002 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.621 0.797 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.060 1.667 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.461 2.446 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.960 -0.097 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.707 1.503 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.181 0.120 -2.626 1.00 0.00 H new ATOM 163 N VAL A 14 11.190 3.276 -1.974 1.00 0.00 N ATOM 164 CA VAL A 14 12.599 3.611 -1.863 1.00 0.00 C ATOM 165 C VAL A 14 13.173 2.970 -0.597 1.00 0.00 C ATOM 166 O VAL A 14 12.839 3.377 0.515 1.00 0.00 O ATOM 167 CB VAL A 14 12.781 5.129 -1.900 1.00 0.00 C ATOM 168 CG1 VAL A 14 14.137 5.534 -1.316 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.614 5.667 -3.322 1.00 0.00 C ATOM 0 H VAL A 14 10.552 4.012 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 14 13.155 3.210 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 14 12.003 5.574 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 14 14.240 6.618 -1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.202 5.200 -0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.936 5.072 -1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.748 6.749 -3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.359 5.210 -3.974 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.616 5.426 -3.687 1.00 0.00 H new ATOM 179 N THR A 15 14.027 1.980 -0.809 1.00 0.00 N ATOM 180 CA THR A 15 14.651 1.280 0.301 1.00 0.00 C ATOM 181 C THR A 15 16.017 1.891 0.617 1.00 0.00 C ATOM 182 O THR A 15 16.442 2.842 -0.037 1.00 0.00 O ATOM 183 CB THR A 15 14.718 -0.207 -0.055 1.00 0.00 C ATOM 184 OG1 THR A 15 15.536 -0.248 -1.221 1.00 0.00 O ATOM 185 CG2 THR A 15 13.370 -0.757 -0.526 1.00 0.00 C ATOM 0 H THR A 15 14.302 1.646 -1.733 1.00 0.00 H new ATOM 0 HA THR A 15 14.065 1.384 1.214 1.00 0.00 H new ATOM 0 HB THR A 15 15.058 -0.773 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.647 0.659 -1.575 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.473 -1.815 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.630 -0.634 0.265 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.045 -0.214 -1.413 1.00 0.00 H new ATOM 193 N ALA A 16 16.667 1.320 1.621 1.00 0.00 N ATOM 194 CA ALA A 16 17.977 1.797 2.032 1.00 0.00 C ATOM 195 C ALA A 16 19.057 1.041 1.255 1.00 0.00 C ATOM 196 O ALA A 16 19.908 0.382 1.850 1.00 0.00 O ATOM 197 CB ALA A 16 18.127 1.635 3.546 1.00 0.00 C ATOM 0 H ALA A 16 16.311 0.532 2.162 1.00 0.00 H new ATOM 0 HA ALA A 16 18.088 2.857 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.109 1.993 3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.355 2.214 4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.024 0.583 3.811 1.00 0.00 H new ATOM 203 N ASP A 17 18.987 1.162 -0.063 1.00 0.00 N ATOM 204 CA ASP A 17 19.948 0.499 -0.927 1.00 0.00 C ATOM 205 C ASP A 17 19.585 0.769 -2.389 1.00 0.00 C ATOM 206 O ASP A 17 20.466 0.935 -3.231 1.00 0.00 O ATOM 207 CB ASP A 17 19.933 -1.015 -0.708 1.00 0.00 C ATOM 208 CG ASP A 17 20.981 -1.795 -1.505 1.00 0.00 C ATOM 209 OD1 ASP A 17 22.023 -1.182 -1.823 1.00 0.00 O ATOM 210 OD2 ASP A 17 20.717 -2.986 -1.777 1.00 0.00 O ATOM 0 H ASP A 17 18.279 1.709 -0.553 1.00 0.00 H new ATOM 0 HA ASP A 17 20.938 0.888 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 17 20.083 -1.215 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.945 -1.395 -0.967 1.00 0.00 H new ATOM 215 N GLY A 18 18.285 0.804 -2.645 1.00 0.00 N ATOM 216 CA GLY A 18 17.794 1.051 -3.990 1.00 0.00 C ATOM 217 C GLY A 18 16.268 1.163 -4.005 1.00 0.00 C ATOM 218 O GLY A 18 15.668 1.643 -3.044 1.00 0.00 O ATOM 0 H GLY A 18 17.557 0.665 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 18 18.233 1.970 -4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 18 18.109 0.243 -4.650 1.00 0.00 H new ATOM 222 N LYS A 19 15.684 0.713 -5.105 1.00 0.00 N ATOM 223 CA LYS A 19 14.240 0.757 -5.258 1.00 0.00 C ATOM 224 C LYS A 19 13.708 -0.665 -5.445 1.00 0.00 C ATOM 225 O LYS A 19 14.400 -1.525 -5.987 1.00 0.00 O ATOM 226 CB LYS A 19 13.849 1.713 -6.386 1.00 0.00 C ATOM 227 CG LYS A 19 12.799 2.720 -5.912 1.00 0.00 C ATOM 228 CD LYS A 19 12.175 3.460 -7.097 1.00 0.00 C ATOM 229 CE LYS A 19 12.533 4.948 -7.064 1.00 0.00 C ATOM 230 NZ LYS A 19 12.822 5.441 -8.429 1.00 0.00 N ATOM 0 H LYS A 19 16.185 0.316 -5.900 1.00 0.00 H new ATOM 0 HA LYS A 19 13.774 1.157 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.733 2.243 -6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.458 1.145 -7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.021 2.202 -5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.259 3.437 -5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.524 3.019 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.092 3.342 -7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.710 5.517 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.400 5.105 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.063 6.452 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.622 4.910 -8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.984 5.308 -9.031 1.00 0.00 H new ATOM 244 N VAL A 20 12.481 -0.869 -4.986 1.00 0.00 N ATOM 245 CA VAL A 20 11.848 -2.173 -5.096 1.00 0.00 C ATOM 246 C VAL A 20 10.337 -1.989 -5.247 1.00 0.00 C ATOM 247 O VAL A 20 9.819 -0.890 -5.056 1.00 0.00 O ATOM 248 CB VAL A 20 12.228 -3.042 -3.896 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.747 -3.190 -3.785 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.635 -2.480 -2.602 1.00 0.00 C ATOM 0 H VAL A 20 11.909 -0.154 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 20 12.202 -2.697 -5.984 1.00 0.00 H new ATOM 0 HB VAL A 20 11.806 -4.034 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.990 -3.812 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.134 -3.657 -4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.200 -2.206 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.920 -3.117 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.013 -1.471 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.548 -2.451 -2.682 1.00 0.00 H new ATOM 260 N ALA A 21 9.671 -3.083 -5.589 1.00 0.00 N ATOM 261 CA ALA A 21 8.230 -3.056 -5.767 1.00 0.00 C ATOM 262 C ALA A 21 7.549 -3.194 -4.404 1.00 0.00 C ATOM 263 O ALA A 21 8.118 -3.766 -3.476 1.00 0.00 O ATOM 264 CB ALA A 21 7.815 -4.162 -6.740 1.00 0.00 C ATOM 0 H ALA A 21 10.103 -3.993 -5.747 1.00 0.00 H new ATOM 0 HA ALA A 21 7.915 -2.106 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.733 -4.142 -6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.303 -4.002 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.113 -5.131 -6.338 1.00 0.00 H new ATOM 270 N LEU A 22 6.339 -2.659 -4.326 1.00 0.00 N ATOM 271 CA LEU A 22 5.574 -2.714 -3.092 1.00 0.00 C ATOM 272 C LEU A 22 5.254 -4.173 -2.761 1.00 0.00 C ATOM 273 O LEU A 22 4.857 -4.487 -1.639 1.00 0.00 O ATOM 274 CB LEU A 22 4.337 -1.819 -3.187 1.00 0.00 C ATOM 275 CG LEU A 22 4.133 -0.832 -2.036 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.741 -0.200 -2.096 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.402 -1.500 -0.686 1.00 0.00 C ATOM 0 H LEU A 22 5.870 -2.185 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 22 6.160 -2.319 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.392 -1.255 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.456 -2.457 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 22 4.858 -0.025 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.622 0.497 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.624 0.334 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.984 -0.981 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.250 -0.776 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.718 -2.338 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.430 -1.862 -0.657 1.00 0.00 H new ATOM 289 N ASN A 23 5.438 -5.027 -3.757 1.00 0.00 N ATOM 290 CA ASN A 23 5.174 -6.446 -3.586 1.00 0.00 C ATOM 291 C ASN A 23 6.494 -7.181 -3.346 1.00 0.00 C ATOM 292 O ASN A 23 6.633 -8.348 -3.708 1.00 0.00 O ATOM 293 CB ASN A 23 4.522 -7.039 -4.836 1.00 0.00 C ATOM 294 CG ASN A 23 5.188 -6.506 -6.107 1.00 0.00 C ATOM 295 OD1 ASN A 23 5.109 -5.334 -6.435 1.00 0.00 O ATOM 296 ND2 ASN A 23 5.846 -7.430 -6.801 1.00 0.00 N ATOM 0 H ASN A 23 5.767 -4.764 -4.686 1.00 0.00 H new ATOM 0 HA ASN A 23 4.500 -6.564 -2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.598 -8.126 -4.810 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.460 -6.794 -4.848 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.324 -7.174 -7.665 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.872 -8.394 -6.469 1.00 0.00 H new ATOM 303 N GLN A 24 7.429 -6.467 -2.736 1.00 0.00 N ATOM 304 CA GLN A 24 8.733 -7.038 -2.443 1.00 0.00 C ATOM 305 C GLN A 24 9.066 -6.866 -0.960 1.00 0.00 C ATOM 306 O GLN A 24 9.382 -7.838 -0.275 1.00 0.00 O ATOM 307 CB GLN A 24 9.816 -6.411 -3.324 1.00 0.00 C ATOM 308 CG GLN A 24 9.391 -6.406 -4.794 1.00 0.00 C ATOM 309 CD GLN A 24 9.214 -7.832 -5.319 1.00 0.00 C ATOM 310 OE1 GLN A 24 8.428 -7.922 -6.388 1.00 0.00 O flip ATOM 311 NE2 GLN A 24 9.755 -8.788 -4.788 1.00 0.00 N flip ATOM 0 H GLN A 24 7.310 -5.499 -2.437 1.00 0.00 H new ATOM 0 HA GLN A 24 8.700 -8.104 -2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.012 -5.391 -2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.747 -6.966 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.457 -5.856 -4.904 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.140 -5.885 -5.391 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.347 -8.649 -3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.616 -9.726 -5.163 1.00 0.00 H new ATOM 320 N ILE A 25 8.985 -5.624 -0.507 1.00 0.00 N ATOM 321 CA ILE A 25 9.274 -5.313 0.882 1.00 0.00 C ATOM 322 C ILE A 25 8.143 -5.845 1.765 1.00 0.00 C ATOM 323 O ILE A 25 8.348 -6.113 2.948 1.00 0.00 O ATOM 324 CB ILE A 25 9.534 -3.815 1.053 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.254 -3.007 0.830 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.672 -3.349 0.144 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.508 -1.511 1.029 1.00 0.00 C ATOM 0 H ILE A 25 8.723 -4.820 -1.078 1.00 0.00 H new ATOM 0 HA ILE A 25 10.190 -5.811 1.201 1.00 0.00 H new ATOM 0 HB ILE A 25 9.851 -3.639 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.878 -3.185 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.482 -3.344 1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.836 -2.281 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.583 -3.892 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.409 -3.541 -0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.582 -0.960 0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.860 -1.334 2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.263 -1.173 0.319 1.00 0.00 H new ATOM 339 N GLY A 26 6.974 -5.983 1.156 1.00 0.00 N ATOM 340 CA GLY A 26 5.811 -6.479 1.872 1.00 0.00 C ATOM 341 C GLY A 26 4.983 -7.416 0.991 1.00 0.00 C ATOM 342 O GLY A 26 5.026 -7.320 -0.235 1.00 0.00 O ATOM 0 H GLY A 26 6.808 -5.760 0.175 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.131 -7.007 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.195 -5.641 2.197 1.00 0.00 H new ATOM 346 N GLN A 27 4.248 -8.300 1.649 1.00 0.00 N ATOM 347 CA GLN A 27 3.411 -9.253 0.941 1.00 0.00 C ATOM 348 C GLN A 27 1.961 -8.764 0.907 1.00 0.00 C ATOM 349 O GLN A 27 1.284 -8.745 1.933 1.00 0.00 O ATOM 350 CB GLN A 27 3.506 -10.642 1.574 1.00 0.00 C ATOM 351 CG GLN A 27 4.221 -11.622 0.642 1.00 0.00 C ATOM 352 CD GLN A 27 3.546 -12.995 0.666 1.00 0.00 C ATOM 353 OE1 GLN A 27 3.356 -13.603 1.706 1.00 0.00 O ATOM 354 NE2 GLN A 27 3.196 -13.446 -0.535 1.00 0.00 N ATOM 0 H GLN A 27 4.215 -8.376 2.666 1.00 0.00 H new ATOM 0 HA GLN A 27 3.772 -9.332 -0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.042 -10.578 2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.506 -11.012 1.799 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.219 -11.230 -0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.264 -11.720 0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.385 -12.885 -1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.738 -14.353 -0.626 1.00 0.00 H new ATOM 363 N ILE A 28 1.528 -8.379 -0.285 1.00 0.00 N ATOM 364 CA ILE A 28 0.172 -7.891 -0.467 1.00 0.00 C ATOM 365 C ILE A 28 -0.789 -9.081 -0.533 1.00 0.00 C ATOM 366 O ILE A 28 -0.585 -10.005 -1.319 1.00 0.00 O ATOM 367 CB ILE A 28 0.093 -6.969 -1.684 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.871 -5.674 -1.443 1.00 0.00 C ATOM 369 CG2 ILE A 28 -1.362 -6.699 -2.075 1.00 0.00 C ATOM 370 CD1 ILE A 28 1.735 -5.318 -2.655 1.00 0.00 C ATOM 0 H ILE A 28 2.093 -8.395 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.131 -7.282 0.385 1.00 0.00 H new ATOM 0 HB ILE A 28 0.564 -7.476 -2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.175 -4.861 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.503 -5.784 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.389 -6.041 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.854 -7.641 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.880 -6.223 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.277 -4.393 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.446 -6.122 -2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.098 -5.185 -3.529 1.00 0.00 H new ATOM 382 N SER A 29 -1.815 -9.018 0.302 1.00 0.00 N ATOM 383 CA SER A 29 -2.808 -10.079 0.349 1.00 0.00 C ATOM 384 C SER A 29 -4.183 -9.494 0.677 1.00 0.00 C ATOM 385 O SER A 29 -4.427 -9.068 1.804 1.00 0.00 O ATOM 386 CB SER A 29 -2.426 -11.146 1.376 1.00 0.00 C ATOM 387 OG SER A 29 -3.362 -12.220 1.402 1.00 0.00 O ATOM 0 H SER A 29 -1.981 -8.249 0.952 1.00 0.00 H new ATOM 0 HA SER A 29 -2.847 -10.555 -0.631 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.434 -11.535 1.144 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.367 -10.692 2.365 1.00 0.00 H new ATOM 0 HG SER A 29 -3.083 -12.881 2.069 1.00 0.00 H new ATOM 393 N MET A 30 -5.045 -9.492 -0.329 1.00 0.00 N ATOM 394 CA MET A 30 -6.390 -8.967 -0.162 1.00 0.00 C ATOM 395 C MET A 30 -7.222 -9.871 0.750 1.00 0.00 C ATOM 396 O MET A 30 -7.953 -10.737 0.272 1.00 0.00 O ATOM 397 CB MET A 30 -7.069 -8.856 -1.528 1.00 0.00 C ATOM 398 CG MET A 30 -7.460 -7.408 -1.830 1.00 0.00 C ATOM 399 SD MET A 30 -9.183 -7.324 -2.287 1.00 0.00 S ATOM 400 CE MET A 30 -9.617 -5.746 -1.574 1.00 0.00 C ATOM 0 H MET A 30 -4.838 -9.846 -1.263 1.00 0.00 H new ATOM 0 HA MET A 30 -6.320 -7.982 0.299 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.397 -9.224 -2.303 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.957 -9.488 -1.549 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.276 -6.783 -0.956 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.841 -7.016 -2.638 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.481 -5.336 -2.096 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.859 -5.877 -0.519 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.776 -5.060 -1.670 1.00 0.00 H new ATOM 410 N LYS A 31 -7.083 -9.638 2.047 1.00 0.00 N ATOM 411 CA LYS A 31 -7.813 -10.420 3.030 1.00 0.00 C ATOM 412 C LYS A 31 -9.143 -9.731 3.338 1.00 0.00 C ATOM 413 O LYS A 31 -10.148 -10.396 3.587 1.00 0.00 O ATOM 414 CB LYS A 31 -6.948 -10.668 4.267 1.00 0.00 C ATOM 415 CG LYS A 31 -7.765 -11.313 5.388 1.00 0.00 C ATOM 416 CD LYS A 31 -7.852 -12.830 5.201 1.00 0.00 C ATOM 417 CE LYS A 31 -6.526 -13.503 5.561 1.00 0.00 C ATOM 418 NZ LYS A 31 -6.132 -14.468 4.511 1.00 0.00 N ATOM 0 H LYS A 31 -6.476 -8.919 2.440 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.050 -11.407 2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.110 -11.314 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.527 -9.725 4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.308 -11.087 6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.768 -10.887 5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.650 -13.232 5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.111 -13.058 4.167 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.749 -12.748 5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.620 -14.016 6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.230 -14.915 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.866 -15.198 4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.022 -13.969 3.605 1.00 0.00 H new ATOM 432 N SER A 32 -9.107 -8.407 3.312 1.00 0.00 N ATOM 433 CA SER A 32 -10.298 -7.620 3.586 1.00 0.00 C ATOM 434 C SER A 32 -11.131 -7.472 2.312 1.00 0.00 C ATOM 435 O SER A 32 -10.698 -7.871 1.232 1.00 0.00 O ATOM 436 CB SER A 32 -9.932 -6.243 4.144 1.00 0.00 C ATOM 437 OG SER A 32 -8.556 -6.163 4.507 1.00 0.00 O ATOM 0 H SER A 32 -8.272 -7.859 3.105 1.00 0.00 H new ATOM 0 HA SER A 32 -10.887 -8.142 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.156 -5.479 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.550 -6.029 5.016 1.00 0.00 H new ATOM 0 HG SER A 32 -8.007 -6.105 3.697 1.00 0.00 H new ATOM 443 N PRO A 33 -12.344 -6.881 2.484 1.00 0.00 N ATOM 444 CA PRO A 33 -13.242 -6.675 1.360 1.00 0.00 C ATOM 445 C PRO A 33 -12.765 -5.517 0.481 1.00 0.00 C ATOM 446 O PRO A 33 -12.582 -5.682 -0.724 1.00 0.00 O ATOM 447 CB PRO A 33 -14.604 -6.423 1.986 1.00 0.00 C ATOM 448 CG PRO A 33 -14.333 -6.036 3.431 1.00 0.00 C ATOM 449 CD PRO A 33 -12.891 -6.395 3.747 1.00 0.00 C ATOM 0 HA PRO A 33 -13.279 -7.533 0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -15.134 -5.628 1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -15.230 -7.314 1.931 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -14.502 -4.969 3.579 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.013 -6.562 4.101 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.338 -5.529 4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.834 -7.158 4.523 1.00 0.00 H new ATOM 457 N GLN A 34 -12.576 -4.371 1.119 1.00 0.00 N ATOM 458 CA GLN A 34 -12.123 -3.186 0.410 1.00 0.00 C ATOM 459 C GLN A 34 -10.865 -2.620 1.072 1.00 0.00 C ATOM 460 O GLN A 34 -10.615 -1.418 1.012 1.00 0.00 O ATOM 461 CB GLN A 34 -13.229 -2.131 0.343 1.00 0.00 C ATOM 462 CG GLN A 34 -13.949 -2.177 -1.007 1.00 0.00 C ATOM 463 CD GLN A 34 -15.320 -1.505 -0.919 1.00 0.00 C ATOM 464 OE1 GLN A 34 -15.635 -0.798 0.024 1.00 0.00 O ATOM 465 NE2 GLN A 34 -16.117 -1.765 -1.953 1.00 0.00 N ATOM 0 H GLN A 34 -12.728 -4.238 2.119 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.875 -3.471 -0.613 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.945 -2.298 1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.802 -1.140 0.498 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.343 -1.678 -1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.067 -3.213 -1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.791 -2.366 -2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -17.054 -1.364 -1.988 1.00 0.00 H new ATOM 474 N VAL A 35 -10.106 -3.514 1.689 1.00 0.00 N ATOM 475 CA VAL A 35 -8.881 -3.119 2.362 1.00 0.00 C ATOM 476 C VAL A 35 -7.797 -4.166 2.095 1.00 0.00 C ATOM 477 O VAL A 35 -8.015 -5.358 2.309 1.00 0.00 O ATOM 478 CB VAL A 35 -9.148 -2.902 3.853 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.859 -3.036 4.666 1.00 0.00 C ATOM 480 CG2 VAL A 35 -9.814 -1.547 4.099 1.00 0.00 C ATOM 0 H VAL A 35 -10.316 -4.511 1.737 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.520 -2.169 1.969 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.836 -3.679 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.077 -2.877 5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.443 -4.034 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.137 -2.292 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.993 -1.418 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.161 -0.751 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.763 -1.506 3.565 1.00 0.00 H new ATOM 490 N ILE A 36 -6.654 -3.683 1.632 1.00 0.00 N ATOM 491 CA ILE A 36 -5.536 -4.562 1.334 1.00 0.00 C ATOM 492 C ILE A 36 -4.598 -4.615 2.541 1.00 0.00 C ATOM 493 O ILE A 36 -4.542 -3.673 3.329 1.00 0.00 O ATOM 494 CB ILE A 36 -4.846 -4.132 0.038 1.00 0.00 C ATOM 495 CG1 ILE A 36 -5.822 -4.168 -1.141 1.00 0.00 C ATOM 496 CG2 ILE A 36 -3.598 -4.976 -0.226 1.00 0.00 C ATOM 497 CD1 ILE A 36 -6.453 -2.794 -1.373 1.00 0.00 C ATOM 0 H ILE A 36 -6.478 -2.694 1.456 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.888 -5.579 1.158 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.517 -3.099 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.298 -4.488 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.603 -4.903 -0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.127 -4.649 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.896 -4.856 0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.880 -6.025 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.142 -2.848 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.996 -2.488 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.671 -2.066 -1.589 1.00 0.00 H new ATOM 509 N LEU A 37 -3.885 -5.727 2.648 1.00 0.00 N ATOM 510 CA LEU A 37 -2.953 -5.915 3.747 1.00 0.00 C ATOM 511 C LEU A 37 -1.574 -6.266 3.184 1.00 0.00 C ATOM 512 O LEU A 37 -1.460 -7.089 2.278 1.00 0.00 O ATOM 513 CB LEU A 37 -3.493 -6.947 4.738 1.00 0.00 C ATOM 514 CG LEU A 37 -4.694 -6.506 5.578 1.00 0.00 C ATOM 515 CD1 LEU A 37 -5.260 -7.677 6.383 1.00 0.00 C ATOM 516 CD2 LEU A 37 -4.330 -5.318 6.472 1.00 0.00 C ATOM 0 H LEU A 37 -3.934 -6.506 1.992 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.842 -4.991 4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.772 -7.843 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.686 -7.229 5.414 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.480 -6.171 4.901 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.112 -7.336 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.581 -8.465 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.491 -8.065 7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.200 -5.024 7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.519 -5.602 7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.011 -4.480 5.852 1.00 0.00 H new ATOM 528 N VAL A 38 -0.560 -5.624 3.746 1.00 0.00 N ATOM 529 CA VAL A 38 0.807 -5.858 3.313 1.00 0.00 C ATOM 530 C VAL A 38 1.681 -6.154 4.533 1.00 0.00 C ATOM 531 O VAL A 38 1.979 -5.258 5.320 1.00 0.00 O ATOM 532 CB VAL A 38 1.307 -4.666 2.494 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.702 -4.938 1.926 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.320 -4.313 1.379 1.00 0.00 C ATOM 0 H VAL A 38 -0.658 -4.942 4.498 1.00 0.00 H new ATOM 0 HA VAL A 38 0.857 -6.729 2.659 1.00 0.00 H new ATOM 0 HB VAL A 38 1.378 -3.807 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.034 -4.075 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.399 -5.117 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.667 -5.816 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.700 -3.463 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.201 -5.168 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.645 -4.056 1.815 1.00 0.00 H new ATOM 544 N ASN A 39 2.068 -7.416 4.651 1.00 0.00 N ATOM 545 CA ASN A 39 2.902 -7.842 5.762 1.00 0.00 C ATOM 546 C ASN A 39 4.341 -7.384 5.519 1.00 0.00 C ATOM 547 O ASN A 39 4.936 -7.713 4.494 1.00 0.00 O ATOM 548 CB ASN A 39 2.907 -9.366 5.895 1.00 0.00 C ATOM 549 CG ASN A 39 3.534 -9.799 7.221 1.00 0.00 C ATOM 550 OD1 ASN A 39 3.657 -9.030 8.160 1.00 0.00 O ATOM 551 ND2 ASN A 39 3.922 -11.071 7.246 1.00 0.00 N ATOM 0 H ASN A 39 1.819 -8.157 3.996 1.00 0.00 H new ATOM 0 HA ASN A 39 2.499 -7.402 6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.886 -9.743 5.831 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.462 -9.805 5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.352 -11.457 8.087 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.790 -11.661 6.424 1.00 0.00 H new ATOM 558 N MET A 40 4.859 -6.631 6.478 1.00 0.00 N ATOM 559 CA MET A 40 6.218 -6.125 6.381 1.00 0.00 C ATOM 560 C MET A 40 7.111 -6.739 7.461 1.00 0.00 C ATOM 561 O MET A 40 7.996 -6.071 7.993 1.00 0.00 O ATOM 562 CB MET A 40 6.207 -4.602 6.532 1.00 0.00 C ATOM 563 CG MET A 40 5.351 -3.949 5.444 1.00 0.00 C ATOM 564 SD MET A 40 6.259 -3.890 3.908 1.00 0.00 S ATOM 565 CE MET A 40 7.552 -2.744 4.356 1.00 0.00 C ATOM 0 H MET A 40 4.362 -6.359 7.326 1.00 0.00 H new ATOM 0 HA MET A 40 6.619 -6.400 5.406 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.820 -4.333 7.515 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.226 -4.220 6.476 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.428 -4.512 5.309 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.068 -2.941 5.748 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.345 -1.770 3.913 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.593 -2.648 5.441 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.509 -3.113 3.988 1.00 0.00 H new ATOM 575 N ALA A 41 6.846 -8.004 7.753 1.00 0.00 N ATOM 576 CA ALA A 41 7.615 -8.715 8.760 1.00 0.00 C ATOM 577 C ALA A 41 9.058 -8.873 8.277 1.00 0.00 C ATOM 578 O ALA A 41 9.980 -8.977 9.085 1.00 0.00 O ATOM 579 CB ALA A 41 6.949 -10.060 9.056 1.00 0.00 C ATOM 0 H ALA A 41 6.110 -8.554 7.310 1.00 0.00 H new ATOM 0 HA ALA A 41 7.640 -8.151 9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.526 -10.593 9.811 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.937 -9.892 9.424 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.909 -10.655 8.143 1.00 0.00 H new ATOM 585 N SER A 42 9.209 -8.887 6.961 1.00 0.00 N ATOM 586 CA SER A 42 10.524 -9.031 6.360 1.00 0.00 C ATOM 587 C SER A 42 11.121 -7.652 6.070 1.00 0.00 C ATOM 588 O SER A 42 12.248 -7.548 5.589 1.00 0.00 O ATOM 589 CB SER A 42 10.456 -9.860 5.076 1.00 0.00 C ATOM 590 OG SER A 42 11.310 -10.999 5.129 1.00 0.00 O ATOM 0 H SER A 42 8.442 -8.801 6.294 1.00 0.00 H new ATOM 0 HA SER A 42 11.166 -9.557 7.066 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.429 -10.185 4.908 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.736 -9.236 4.227 1.00 0.00 H new ATOM 0 HG SER A 42 11.236 -11.502 4.291 1.00 0.00 H new ATOM 596 N PHE A 43 10.338 -6.628 6.376 1.00 0.00 N ATOM 597 CA PHE A 43 10.775 -5.260 6.154 1.00 0.00 C ATOM 598 C PHE A 43 10.065 -4.296 7.107 1.00 0.00 C ATOM 599 O PHE A 43 9.278 -3.456 6.674 1.00 0.00 O ATOM 600 CB PHE A 43 10.405 -4.900 4.714 1.00 0.00 C ATOM 601 CG PHE A 43 11.129 -5.736 3.657 1.00 0.00 C ATOM 602 CD1 PHE A 43 10.702 -6.996 3.377 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.201 -5.219 2.999 1.00 0.00 C ATOM 604 CE1 PHE A 43 11.374 -7.772 2.396 1.00 0.00 C ATOM 605 CE2 PHE A 43 12.873 -5.995 2.018 1.00 0.00 C ATOM 606 CZ PHE A 43 12.446 -7.255 1.737 1.00 0.00 C ATOM 0 H PHE A 43 9.404 -6.718 6.776 1.00 0.00 H new ATOM 0 HA PHE A 43 11.848 -5.179 6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.330 -5.022 4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.629 -3.847 4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 43 9.852 -7.407 3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.541 -4.219 3.223 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.034 -8.773 2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.724 -5.584 1.495 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.958 -7.845 0.991 1.00 0.00 H new ATOM 616 N PRO A 44 10.376 -4.455 8.422 1.00 0.00 N ATOM 617 CA PRO A 44 9.777 -3.609 9.440 1.00 0.00 C ATOM 618 C PRO A 44 10.397 -2.210 9.425 1.00 0.00 C ATOM 619 O PRO A 44 9.827 -1.268 9.974 1.00 0.00 O ATOM 620 CB PRO A 44 10.006 -4.346 10.749 1.00 0.00 C ATOM 621 CG PRO A 44 11.123 -5.340 10.477 1.00 0.00 C ATOM 622 CD PRO A 44 11.304 -5.439 8.972 1.00 0.00 C ATOM 0 HA PRO A 44 8.713 -3.441 9.274 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.284 -3.654 11.544 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.099 -4.856 11.074 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.048 -5.013 10.952 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.876 -6.315 10.897 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.331 -5.220 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.077 -6.442 8.611 1.00 0.00 H new ATOM 630 N GLU A 45 11.557 -2.118 8.792 1.00 0.00 N ATOM 631 CA GLU A 45 12.261 -0.851 8.699 1.00 0.00 C ATOM 632 C GLU A 45 11.950 -0.168 7.365 1.00 0.00 C ATOM 633 O GLU A 45 12.456 0.918 7.087 1.00 0.00 O ATOM 634 CB GLU A 45 13.768 -1.046 8.877 1.00 0.00 C ATOM 635 CG GLU A 45 14.361 -1.830 7.705 1.00 0.00 C ATOM 636 CD GLU A 45 14.905 -3.183 8.170 1.00 0.00 C ATOM 637 OE1 GLU A 45 15.963 -3.171 8.836 1.00 0.00 O ATOM 638 OE2 GLU A 45 14.250 -4.198 7.850 1.00 0.00 O ATOM 0 H GLU A 45 12.027 -2.901 8.338 1.00 0.00 H new ATOM 0 HA GLU A 45 11.914 -0.205 9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.257 -0.075 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.962 -1.576 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.598 -1.984 6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.161 -1.251 7.243 1.00 0.00 H new ATOM 645 N CYS A 46 11.120 -0.833 6.576 1.00 0.00 N ATOM 646 CA CYS A 46 10.735 -0.303 5.278 1.00 0.00 C ATOM 647 C CYS A 46 9.218 -0.107 5.270 1.00 0.00 C ATOM 648 O CYS A 46 8.634 0.196 4.230 1.00 0.00 O ATOM 649 CB CYS A 46 11.200 -1.211 4.137 1.00 0.00 C ATOM 650 SG CYS A 46 12.434 -0.338 3.106 1.00 0.00 S ATOM 0 H CYS A 46 10.703 -1.734 6.810 1.00 0.00 H new ATOM 0 HA CYS A 46 11.225 0.657 5.114 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.634 -2.125 4.542 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.347 -1.507 3.526 1.00 0.00 H new ATOM 0 HG CYS A 46 13.126 -1.206 2.429 1.00 0.00 H new ATOM 656 N THR A 47 8.624 -0.286 6.440 1.00 0.00 N ATOM 657 CA THR A 47 7.186 -0.132 6.580 1.00 0.00 C ATOM 658 C THR A 47 6.753 1.265 6.132 1.00 0.00 C ATOM 659 O THR A 47 6.017 1.408 5.157 1.00 0.00 O ATOM 660 CB THR A 47 6.816 -0.446 8.031 1.00 0.00 C ATOM 661 OG1 THR A 47 7.100 -1.835 8.169 1.00 0.00 O ATOM 662 CG2 THR A 47 5.311 -0.346 8.287 1.00 0.00 C ATOM 0 H THR A 47 9.112 -0.536 7.300 1.00 0.00 H new ATOM 0 HA THR A 47 6.649 -0.827 5.934 1.00 0.00 H new ATOM 0 HB THR A 47 7.343 0.238 8.696 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.890 -2.123 9.082 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.103 -0.578 9.331 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.971 0.666 8.066 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.785 -1.054 7.646 1.00 0.00 H new ATOM 670 N ALA A 48 7.228 2.261 6.865 1.00 0.00 N ATOM 671 CA ALA A 48 6.900 3.642 6.555 1.00 0.00 C ATOM 672 C ALA A 48 7.201 3.914 5.080 1.00 0.00 C ATOM 673 O ALA A 48 6.361 4.455 4.361 1.00 0.00 O ATOM 674 CB ALA A 48 7.674 4.574 7.490 1.00 0.00 C ATOM 0 H ALA A 48 7.838 2.139 7.673 1.00 0.00 H new ATOM 0 HA ALA A 48 5.838 3.829 6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.428 5.610 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.402 4.360 8.524 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.744 4.417 7.356 1.00 0.00 H new ATOM 680 N ALA A 49 8.401 3.528 4.672 1.00 0.00 N ATOM 681 CA ALA A 49 8.823 3.723 3.296 1.00 0.00 C ATOM 682 C ALA A 49 7.656 3.405 2.359 1.00 0.00 C ATOM 683 O ALA A 49 7.247 4.248 1.562 1.00 0.00 O ATOM 684 CB ALA A 49 10.052 2.859 3.011 1.00 0.00 C ATOM 0 H ALA A 49 9.095 3.081 5.271 1.00 0.00 H new ATOM 0 HA ALA A 49 9.109 4.761 3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.368 3.006 1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.862 3.145 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.803 1.810 3.169 1.00 0.00 H new ATOM 690 N ALA A 50 7.153 2.186 2.486 1.00 0.00 N ATOM 691 CA ALA A 50 6.041 1.745 1.660 1.00 0.00 C ATOM 692 C ALA A 50 4.931 2.798 1.704 1.00 0.00 C ATOM 693 O ALA A 50 4.606 3.404 0.684 1.00 0.00 O ATOM 694 CB ALA A 50 5.562 0.373 2.138 1.00 0.00 C ATOM 0 H ALA A 50 7.495 1.490 3.148 1.00 0.00 H new ATOM 0 HA ALA A 50 6.353 1.637 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.728 0.043 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.379 -0.345 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.237 0.442 3.176 1.00 0.00 H new ATOM 700 N ILE A 51 4.380 2.982 2.894 1.00 0.00 N ATOM 701 CA ILE A 51 3.313 3.950 3.084 1.00 0.00 C ATOM 702 C ILE A 51 3.599 5.190 2.234 1.00 0.00 C ATOM 703 O ILE A 51 2.711 5.696 1.550 1.00 0.00 O ATOM 704 CB ILE A 51 3.124 4.254 4.571 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.284 3.170 5.250 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.530 5.650 4.774 1.00 0.00 C ATOM 707 CD1 ILE A 51 2.903 2.754 6.586 1.00 0.00 C ATOM 0 H ILE A 51 4.652 2.477 3.737 1.00 0.00 H new ATOM 0 HA ILE A 51 2.362 3.541 2.743 1.00 0.00 H new ATOM 0 HB ILE A 51 4.104 4.248 5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.271 3.539 5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.206 2.302 4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.406 5.841 5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.200 6.396 4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.560 5.708 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.287 1.983 7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.906 2.363 6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.957 3.619 7.247 1.00 0.00 H new ATOM 719 N LYS A 52 4.842 5.643 2.305 1.00 0.00 N ATOM 720 CA LYS A 52 5.256 6.814 1.551 1.00 0.00 C ATOM 721 C LYS A 52 4.982 6.581 0.064 1.00 0.00 C ATOM 722 O LYS A 52 4.147 7.261 -0.531 1.00 0.00 O ATOM 723 CB LYS A 52 6.714 7.163 1.860 1.00 0.00 C ATOM 724 CG LYS A 52 6.820 8.539 2.520 1.00 0.00 C ATOM 725 CD LYS A 52 7.872 8.534 3.631 1.00 0.00 C ATOM 726 CE LYS A 52 7.348 9.237 4.885 1.00 0.00 C ATOM 727 NZ LYS A 52 8.081 8.772 6.084 1.00 0.00 N ATOM 0 H LYS A 52 5.576 5.220 2.873 1.00 0.00 H new ATOM 0 HA LYS A 52 4.673 7.685 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.141 6.406 2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.298 7.151 0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.081 9.287 1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.852 8.824 2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.146 7.507 3.873 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.777 9.031 3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.461 10.316 4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.283 9.038 5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.713 9.259 6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.952 7.746 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.093 8.984 5.976 1.00 0.00 H new ATOM 741 N ALA A 53 5.700 5.618 -0.494 1.00 0.00 N ATOM 742 CA ALA A 53 5.545 5.286 -1.900 1.00 0.00 C ATOM 743 C ALA A 53 4.093 5.527 -2.318 1.00 0.00 C ATOM 744 O ALA A 53 3.833 6.215 -3.304 1.00 0.00 O ATOM 745 CB ALA A 53 5.988 3.841 -2.136 1.00 0.00 C ATOM 0 H ALA A 53 6.392 5.056 0.003 1.00 0.00 H new ATOM 0 HA ALA A 53 6.177 5.925 -2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.872 3.592 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.034 3.730 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.375 3.170 -1.535 1.00 0.00 H new ATOM 751 N ILE A 54 3.185 4.947 -1.547 1.00 0.00 N ATOM 752 CA ILE A 54 1.766 5.089 -1.826 1.00 0.00 C ATOM 753 C ILE A 54 1.426 6.574 -1.973 1.00 0.00 C ATOM 754 O ILE A 54 1.108 7.036 -3.068 1.00 0.00 O ATOM 755 CB ILE A 54 0.936 4.372 -0.759 1.00 0.00 C ATOM 756 CG1 ILE A 54 1.142 2.858 -0.830 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.542 4.754 -0.865 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.662 2.312 0.501 1.00 0.00 C ATOM 0 H ILE A 54 3.404 4.378 -0.729 1.00 0.00 H new ATOM 0 HA ILE A 54 1.514 4.608 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 54 1.284 4.699 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.201 2.371 -1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.848 2.620 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.109 4.231 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.651 5.830 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.921 4.474 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.800 1.234 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.615 2.783 0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.942 2.530 1.290 1.00 0.00 H new ATOM 770 N ARG A 55 1.504 7.280 -0.855 1.00 0.00 N ATOM 771 CA ARG A 55 1.209 8.703 -0.847 1.00 0.00 C ATOM 772 C ARG A 55 1.991 9.414 -1.953 1.00 0.00 C ATOM 773 O ARG A 55 1.447 10.266 -2.653 1.00 0.00 O ATOM 774 CB ARG A 55 1.563 9.331 0.503 1.00 0.00 C ATOM 775 CG ARG A 55 0.554 8.922 1.579 1.00 0.00 C ATOM 776 CD ARG A 55 1.223 8.075 2.664 1.00 0.00 C ATOM 777 NE ARG A 55 0.559 8.305 3.966 1.00 0.00 N ATOM 778 CZ ARG A 55 0.579 9.473 4.623 1.00 0.00 C ATOM 779 NH1 ARG A 55 1.229 10.523 4.104 1.00 0.00 N ATOM 780 NH2 ARG A 55 -0.051 9.590 5.800 1.00 0.00 N ATOM 0 H ARG A 55 1.767 6.894 0.052 1.00 0.00 H new ATOM 0 HA ARG A 55 0.139 8.821 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.564 9.020 0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.581 10.417 0.410 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.114 9.813 2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.261 8.359 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.167 7.019 2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.280 8.330 2.736 1.00 0.00 H new ATOM 0 HE ARG A 55 0.055 7.526 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.709 10.434 3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.244 11.412 4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.545 8.790 6.196 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.036 10.479 6.300 1.00 0.00 H new ATOM 794 N GLU A 56 3.256 9.037 -2.075 1.00 0.00 N ATOM 795 CA GLU A 56 4.118 9.629 -3.084 1.00 0.00 C ATOM 796 C GLU A 56 3.576 9.336 -4.484 1.00 0.00 C ATOM 797 O GLU A 56 3.673 10.174 -5.379 1.00 0.00 O ATOM 798 CB GLU A 56 5.557 9.128 -2.937 1.00 0.00 C ATOM 799 CG GLU A 56 6.173 9.609 -1.622 1.00 0.00 C ATOM 800 CD GLU A 56 7.693 9.740 -1.745 1.00 0.00 C ATOM 801 OE1 GLU A 56 8.349 8.679 -1.826 1.00 0.00 O ATOM 802 OE2 GLU A 56 8.164 10.898 -1.754 1.00 0.00 O ATOM 0 H GLU A 56 3.704 8.330 -1.492 1.00 0.00 H new ATOM 0 HA GLU A 56 4.127 10.709 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.572 8.039 -2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.157 9.483 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.743 10.571 -1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.928 8.909 -0.824 1.00 0.00 H new ATOM 809 N SER A 57 3.017 8.143 -4.630 1.00 0.00 N ATOM 810 CA SER A 57 2.459 7.729 -5.906 1.00 0.00 C ATOM 811 C SER A 57 1.650 8.874 -6.519 1.00 0.00 C ATOM 812 O SER A 57 1.585 9.008 -7.740 1.00 0.00 O ATOM 813 CB SER A 57 1.581 6.486 -5.746 1.00 0.00 C ATOM 814 OG SER A 57 1.230 5.915 -7.003 1.00 0.00 O ATOM 0 H SER A 57 2.939 7.450 -3.885 1.00 0.00 H new ATOM 0 HA SER A 57 3.283 7.476 -6.573 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.108 5.745 -5.146 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.674 6.750 -5.202 1.00 0.00 H new ATOM 0 HG SER A 57 0.255 5.912 -7.100 1.00 0.00 H new ATOM 820 N GLY A 58 1.053 9.670 -5.644 1.00 0.00 N ATOM 821 CA GLY A 58 0.252 10.799 -6.085 1.00 0.00 C ATOM 822 C GLY A 58 -1.241 10.473 -6.010 1.00 0.00 C ATOM 823 O GLY A 58 -2.060 11.149 -6.632 1.00 0.00 O ATOM 0 H GLY A 58 1.108 9.555 -4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.470 11.669 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.520 11.062 -7.108 1.00 0.00 H new ATOM 827 N MET A 59 -1.551 9.438 -5.243 1.00 0.00 N ATOM 828 CA MET A 59 -2.931 9.015 -5.078 1.00 0.00 C ATOM 829 C MET A 59 -3.535 9.597 -3.798 1.00 0.00 C ATOM 830 O MET A 59 -2.882 9.622 -2.756 1.00 0.00 O ATOM 831 CB MET A 59 -2.994 7.487 -5.024 1.00 0.00 C ATOM 832 CG MET A 59 -2.654 6.876 -6.385 1.00 0.00 C ATOM 833 SD MET A 59 -3.027 5.130 -6.380 1.00 0.00 S ATOM 834 CE MET A 59 -1.808 4.557 -5.209 1.00 0.00 C ATOM 0 H MET A 59 -0.870 8.880 -4.729 1.00 0.00 H new ATOM 0 HA MET A 59 -3.507 9.382 -5.928 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.298 7.117 -4.271 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.991 7.171 -4.718 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.222 7.376 -7.169 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.598 7.030 -6.609 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.716 3.473 -5.280 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.846 5.018 -5.431 1.00 0.00 H new ATOM 0 HE3 MET A 59 -2.117 4.829 -4.200 1.00 0.00 H new ATOM 844 N ASN A 60 -4.774 10.050 -3.919 1.00 0.00 N ATOM 845 CA ASN A 60 -5.473 10.630 -2.785 1.00 0.00 C ATOM 846 C ASN A 60 -5.947 9.510 -1.857 1.00 0.00 C ATOM 847 O ASN A 60 -7.138 9.398 -1.571 1.00 0.00 O ATOM 848 CB ASN A 60 -6.702 11.419 -3.240 1.00 0.00 C ATOM 849 CG ASN A 60 -6.997 12.574 -2.281 1.00 0.00 C ATOM 850 OD1 ASN A 60 -6.196 12.932 -1.434 1.00 0.00 O ATOM 851 ND2 ASN A 60 -8.189 13.136 -2.463 1.00 0.00 N ATOM 0 H ASN A 60 -5.312 10.027 -4.785 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.784 11.301 -2.271 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.537 11.809 -4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.565 10.756 -3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.480 13.916 -1.874 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.812 12.787 -3.191 1.00 0.00 H new ATOM 858 N LEU A 61 -4.990 8.708 -1.412 1.00 0.00 N ATOM 859 CA LEU A 61 -5.295 7.601 -0.522 1.00 0.00 C ATOM 860 C LEU A 61 -4.677 7.870 0.851 1.00 0.00 C ATOM 861 O LEU A 61 -3.975 8.864 1.036 1.00 0.00 O ATOM 862 CB LEU A 61 -4.853 6.275 -1.146 1.00 0.00 C ATOM 863 CG LEU A 61 -5.607 5.842 -2.405 1.00 0.00 C ATOM 864 CD1 LEU A 61 -4.792 4.827 -3.209 1.00 0.00 C ATOM 865 CD2 LEU A 61 -6.999 5.311 -2.055 1.00 0.00 C ATOM 0 H LEU A 61 -4.003 8.803 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.372 7.516 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.793 6.346 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.957 5.491 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.747 6.718 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.350 4.535 -4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.844 5.275 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.601 3.946 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.514 5.010 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.904 4.451 -1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.572 6.093 -1.556 1.00 0.00 H new ATOM 877 N ASN A 62 -4.961 6.969 1.780 1.00 0.00 N ATOM 878 CA ASN A 62 -4.442 7.097 3.131 1.00 0.00 C ATOM 879 C ASN A 62 -4.107 5.708 3.678 1.00 0.00 C ATOM 880 O ASN A 62 -4.962 5.045 4.263 1.00 0.00 O ATOM 881 CB ASN A 62 -5.477 7.734 4.060 1.00 0.00 C ATOM 882 CG ASN A 62 -4.797 8.466 5.219 1.00 0.00 C ATOM 883 OD1 ASN A 62 -3.628 8.810 5.169 1.00 0.00 O ATOM 884 ND2 ASN A 62 -5.592 8.682 6.263 1.00 0.00 N ATOM 0 H ASN A 62 -5.544 6.147 1.623 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.554 7.728 3.093 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.095 8.433 3.497 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.142 6.964 4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.232 9.162 7.088 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.562 8.367 6.239 1.00 0.00 H new ATOM 891 N PRO A 63 -2.828 5.299 3.463 1.00 0.00 N ATOM 892 CA PRO A 63 -2.369 4.001 3.928 1.00 0.00 C ATOM 893 C PRO A 63 -2.149 4.008 5.442 1.00 0.00 C ATOM 894 O PRO A 63 -1.720 5.013 6.006 1.00 0.00 O ATOM 895 CB PRO A 63 -1.096 3.730 3.144 1.00 0.00 C ATOM 896 CG PRO A 63 -0.637 5.079 2.614 1.00 0.00 C ATOM 897 CD PRO A 63 -1.788 6.059 2.774 1.00 0.00 C ATOM 0 HA PRO A 63 -3.100 3.211 3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.334 3.281 3.780 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.281 3.032 2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.239 5.426 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.347 4.999 1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.487 6.933 3.352 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.137 6.421 1.807 1.00 0.00 H new ATOM 905 N GLU A 64 -2.454 2.874 6.057 1.00 0.00 N ATOM 906 CA GLU A 64 -2.295 2.737 7.494 1.00 0.00 C ATOM 907 C GLU A 64 -1.049 1.908 7.814 1.00 0.00 C ATOM 908 O GLU A 64 -0.364 1.437 6.907 1.00 0.00 O ATOM 909 CB GLU A 64 -3.543 2.117 8.127 1.00 0.00 C ATOM 910 CG GLU A 64 -4.279 3.135 8.999 1.00 0.00 C ATOM 911 CD GLU A 64 -5.789 3.073 8.759 1.00 0.00 C ATOM 912 OE1 GLU A 64 -6.171 2.934 7.577 1.00 0.00 O ATOM 913 OE2 GLU A 64 -6.527 3.165 9.764 1.00 0.00 O ATOM 0 H GLU A 64 -2.810 2.042 5.586 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.166 3.731 7.922 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.210 1.754 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.259 1.254 8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.066 2.940 10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.913 4.138 8.780 1.00 0.00 H new ATOM 920 N VAL A 65 -0.794 1.756 9.105 1.00 0.00 N ATOM 921 CA VAL A 65 0.358 0.993 9.555 1.00 0.00 C ATOM 922 C VAL A 65 0.084 0.444 10.957 1.00 0.00 C ATOM 923 O VAL A 65 -0.067 1.209 11.908 1.00 0.00 O ATOM 924 CB VAL A 65 1.618 1.858 9.487 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.825 2.628 10.792 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.847 1.011 9.149 1.00 0.00 C ATOM 0 H VAL A 65 -1.365 2.148 9.854 1.00 0.00 H new ATOM 0 HA VAL A 65 0.531 0.139 8.899 1.00 0.00 H new ATOM 0 HB VAL A 65 1.482 2.586 8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.727 3.235 10.717 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.967 3.275 10.973 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.929 1.924 11.617 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.729 1.650 9.107 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.987 0.250 9.917 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.702 0.529 8.182 1.00 0.00 H new ATOM 936 N GLU A 66 0.029 -0.877 11.040 1.00 0.00 N ATOM 937 CA GLU A 66 -0.224 -1.537 12.309 1.00 0.00 C ATOM 938 C GLU A 66 0.856 -2.585 12.587 1.00 0.00 C ATOM 939 O GLU A 66 0.853 -3.659 11.988 1.00 0.00 O ATOM 940 CB GLU A 66 -1.618 -2.168 12.331 1.00 0.00 C ATOM 941 CG GLU A 66 -2.131 -2.414 10.911 1.00 0.00 C ATOM 942 CD GLU A 66 -3.419 -3.240 10.929 1.00 0.00 C ATOM 943 OE1 GLU A 66 -3.297 -4.479 11.040 1.00 0.00 O ATOM 944 OE2 GLU A 66 -4.496 -2.613 10.831 1.00 0.00 O ATOM 0 H GLU A 66 0.155 -1.508 10.249 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.188 -0.787 13.099 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.586 -3.110 12.878 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.309 -1.514 12.863 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.313 -1.460 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.369 -2.934 10.330 1.00 0.00 H new ATOM 951 N GLY A 67 1.755 -2.235 13.496 1.00 0.00 N ATOM 952 CA GLY A 67 2.839 -3.132 13.861 1.00 0.00 C ATOM 953 C GLY A 67 3.783 -3.359 12.679 1.00 0.00 C ATOM 954 O GLY A 67 4.813 -2.695 12.566 1.00 0.00 O ATOM 0 H GLY A 67 1.755 -1.343 13.990 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.395 -2.714 14.700 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.430 -4.086 14.193 1.00 0.00 H new ATOM 958 N THR A 68 3.399 -4.299 11.828 1.00 0.00 N ATOM 959 CA THR A 68 4.199 -4.622 10.659 1.00 0.00 C ATOM 960 C THR A 68 3.300 -4.830 9.438 1.00 0.00 C ATOM 961 O THR A 68 3.756 -5.309 8.401 1.00 0.00 O ATOM 962 CB THR A 68 5.057 -5.843 10.996 1.00 0.00 C ATOM 963 OG1 THR A 68 4.255 -6.591 11.905 1.00 0.00 O ATOM 964 CG2 THR A 68 6.301 -5.478 11.809 1.00 0.00 C ATOM 0 H THR A 68 2.544 -4.847 11.925 1.00 0.00 H new ATOM 0 HA THR A 68 4.865 -3.800 10.397 1.00 0.00 H new ATOM 0 HB THR A 68 5.359 -6.340 10.074 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.735 -7.402 12.174 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.875 -6.380 12.021 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.917 -4.782 11.239 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.999 -5.011 12.747 1.00 0.00 H new ATOM 972 N LEU A 69 2.039 -4.459 9.602 1.00 0.00 N ATOM 973 CA LEU A 69 1.072 -4.598 8.527 1.00 0.00 C ATOM 974 C LEU A 69 0.710 -3.212 7.989 1.00 0.00 C ATOM 975 O LEU A 69 0.801 -2.220 8.710 1.00 0.00 O ATOM 976 CB LEU A 69 -0.137 -5.411 8.995 1.00 0.00 C ATOM 977 CG LEU A 69 -0.149 -6.887 8.594 1.00 0.00 C ATOM 978 CD1 LEU A 69 -0.311 -7.042 7.080 1.00 0.00 C ATOM 979 CD2 LEU A 69 1.097 -7.607 9.114 1.00 0.00 C ATOM 0 H LEU A 69 1.664 -4.062 10.464 1.00 0.00 H new ATOM 0 HA LEU A 69 1.503 -5.159 7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.192 -5.350 10.082 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.039 -4.941 8.603 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.012 -7.361 9.061 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.316 -8.101 6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.250 -6.587 6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.518 -6.549 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.063 -8.655 8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.988 -7.139 8.696 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.128 -7.541 10.202 1.00 0.00 H new ATOM 991 N ILE A 70 0.307 -3.189 6.727 1.00 0.00 N ATOM 992 CA ILE A 70 -0.069 -1.941 6.085 1.00 0.00 C ATOM 993 C ILE A 70 -1.504 -2.052 5.566 1.00 0.00 C ATOM 994 O ILE A 70 -1.794 -2.879 4.703 1.00 0.00 O ATOM 995 CB ILE A 70 0.948 -1.567 5.005 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.374 -1.877 5.464 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.788 -0.105 4.583 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.395 -1.462 4.402 1.00 0.00 C ATOM 0 H ILE A 70 0.233 -4.014 6.132 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.052 -1.122 6.804 1.00 0.00 H new ATOM 0 HB ILE A 70 0.752 -2.180 4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.581 -1.353 6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.470 -2.943 5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.523 0.134 3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.215 0.052 4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.942 0.542 5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.400 -1.693 4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.200 -2.006 3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.313 -0.391 4.217 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.364 -1.206 6.114 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.762 -1.199 5.718 1.00 0.00 C ATOM 1012 C ARG A 71 -4.009 -0.118 4.663 1.00 0.00 C ATOM 1013 O ARG A 71 -3.638 1.039 4.857 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.674 -0.947 6.920 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.709 -2.064 7.066 1.00 0.00 C ATOM 1016 CD ARG A 71 -6.837 -1.646 8.012 1.00 0.00 C ATOM 1017 NE ARG A 71 -7.973 -1.101 7.235 1.00 0.00 N ATOM 1018 CZ ARG A 71 -9.193 -0.882 7.743 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -9.444 -1.160 9.029 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -10.163 -0.384 6.963 1.00 0.00 N ATOM 0 H ARG A 71 -2.120 -0.521 6.829 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.993 -2.179 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.075 -0.880 7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.181 0.011 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.122 -2.312 6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.226 -2.965 7.445 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.166 -2.503 8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.474 -0.897 8.715 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.817 -0.878 6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.706 -1.539 9.622 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.373 -0.993 9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.972 -0.172 5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.092 -0.217 7.349 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.633 -0.533 3.571 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.933 0.385 2.485 1.00 0.00 C ATOM 1036 C VAL A 72 -6.351 0.119 1.976 1.00 0.00 C ATOM 1037 O VAL A 72 -6.575 -0.823 1.217 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.872 0.266 1.390 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.495 0.431 0.002 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.743 1.276 1.608 1.00 0.00 C ATOM 0 H VAL A 72 -4.939 -1.493 3.414 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.902 1.416 2.837 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.442 -0.734 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.719 0.342 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.246 -0.343 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.964 1.412 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.002 1.170 0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.151 2.287 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.271 1.091 2.573 1.00 0.00 H new ATOM 1050 N PRO A 73 -7.296 0.988 2.425 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.686 0.856 2.022 1.00 0.00 C ATOM 1052 C PRO A 73 -8.886 1.329 0.581 1.00 0.00 C ATOM 1053 O PRO A 73 -8.241 2.279 0.139 1.00 0.00 O ATOM 1054 CB PRO A 73 -9.468 1.681 3.031 1.00 0.00 C ATOM 1055 CG PRO A 73 -8.458 2.615 3.678 1.00 0.00 C ATOM 1056 CD PRO A 73 -7.067 2.115 3.324 1.00 0.00 C ATOM 0 HA PRO A 73 -9.028 -0.179 2.023 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.263 2.244 2.543 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.941 1.041 3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.599 3.635 3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.593 2.633 4.759 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.477 2.894 2.840 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.519 1.806 4.214 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.783 0.644 -0.114 1.00 0.00 N ATOM 1065 CA ILE A 74 -10.077 0.982 -1.496 1.00 0.00 C ATOM 1066 C ILE A 74 -11.113 2.107 -1.532 1.00 0.00 C ATOM 1067 O ILE A 74 -12.058 2.111 -0.746 1.00 0.00 O ATOM 1068 CB ILE A 74 -10.497 -0.267 -2.275 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -9.470 -1.389 -2.107 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.749 0.065 -3.747 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -8.626 -1.553 -3.373 1.00 0.00 C ATOM 0 H ILE A 74 -10.316 -0.144 0.255 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.183 1.356 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.438 -0.628 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.821 -1.169 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.982 -2.325 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.046 -0.839 -4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.544 0.807 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.837 0.464 -4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.904 -2.357 -3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.275 -1.796 -4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.097 -0.623 -3.580 1.00 0.00 H new ATOM 1083 N PRO A 75 -10.894 3.059 -2.478 1.00 0.00 N ATOM 1084 CA PRO A 75 -11.798 4.187 -2.628 1.00 0.00 C ATOM 1085 C PRO A 75 -13.099 3.760 -3.309 1.00 0.00 C ATOM 1086 O PRO A 75 -13.128 2.768 -4.036 1.00 0.00 O ATOM 1087 CB PRO A 75 -11.016 5.214 -3.431 1.00 0.00 C ATOM 1088 CG PRO A 75 -9.884 4.448 -4.097 1.00 0.00 C ATOM 1089 CD PRO A 75 -9.785 3.087 -3.427 1.00 0.00 C ATOM 0 HA PRO A 75 -12.112 4.604 -1.671 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.652 5.696 -4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.628 6.002 -2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.075 4.335 -5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -8.945 4.992 -3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.867 2.280 -4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.828 2.964 -2.921 1.00 0.00 H new ATOM 1097 N LYS A 76 -14.146 4.531 -3.050 1.00 0.00 N ATOM 1098 CA LYS A 76 -15.447 4.245 -3.629 1.00 0.00 C ATOM 1099 C LYS A 76 -16.060 3.033 -2.924 1.00 0.00 C ATOM 1100 O LYS A 76 -15.944 1.906 -3.404 1.00 0.00 O ATOM 1101 CB LYS A 76 -15.335 4.081 -5.146 1.00 0.00 C ATOM 1102 CG LYS A 76 -16.702 4.232 -5.817 1.00 0.00 C ATOM 1103 CD LYS A 76 -16.579 4.967 -7.153 1.00 0.00 C ATOM 1104 CE LYS A 76 -17.491 6.195 -7.189 1.00 0.00 C ATOM 1105 NZ LYS A 76 -17.302 6.944 -8.451 1.00 0.00 N ATOM 0 H LYS A 76 -14.119 5.353 -2.447 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.125 5.083 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.646 4.825 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.918 3.102 -5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.142 3.248 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.376 4.779 -5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -15.545 5.273 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -16.839 4.292 -7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.532 5.885 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.273 6.842 -6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.928 7.774 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.313 7.256 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.532 6.329 -9.257 1.00 0.00 H new ATOM 1119 N VAL A 77 -16.698 3.305 -1.795 1.00 0.00 N ATOM 1120 CA VAL A 77 -17.328 2.251 -1.019 1.00 0.00 C ATOM 1121 C VAL A 77 -18.763 2.049 -1.512 1.00 0.00 C ATOM 1122 O VAL A 77 -19.477 3.016 -1.769 1.00 0.00 O ATOM 1123 CB VAL A 77 -17.251 2.582 0.473 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -15.796 2.651 0.944 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -17.991 3.884 0.785 1.00 0.00 C ATOM 0 H VAL A 77 -16.792 4.240 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 77 -16.800 1.308 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.743 1.778 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -15.769 2.888 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.312 1.689 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -15.269 3.425 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -17.921 4.096 1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.541 4.702 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -19.039 3.783 0.503 1.00 0.00 H new ATOM 1135 N THR A 78 -19.141 0.784 -1.630 1.00 0.00 N ATOM 1136 CA THR A 78 -20.477 0.443 -2.088 1.00 0.00 C ATOM 1137 C THR A 78 -21.481 0.560 -0.939 1.00 0.00 C ATOM 1138 O THR A 78 -21.143 0.297 0.214 1.00 0.00 O ATOM 1139 CB THR A 78 -20.422 -0.956 -2.706 1.00 0.00 C ATOM 1140 OG1 THR A 78 -21.729 -1.152 -3.238 1.00 0.00 O ATOM 1141 CG2 THR A 78 -20.279 -2.056 -1.653 1.00 0.00 C ATOM 0 H THR A 78 -18.546 -0.016 -1.416 1.00 0.00 H new ATOM 0 HA THR A 78 -20.823 1.139 -2.852 1.00 0.00 H new ATOM 0 HB THR A 78 -19.587 -1.012 -3.404 1.00 0.00 H new ATOM 0 HG1 THR A 78 -21.782 -2.035 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 78 -20.245 -3.028 -2.145 1.00 0.00 H new ATOM 0 HG22 THR A 78 -19.359 -1.902 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 78 -21.131 -2.023 -0.974 1.00 0.00 H new ATOM 1149 N SER A 79 -22.695 0.954 -1.294 1.00 0.00 N ATOM 1150 CA SER A 79 -23.750 1.109 -0.308 1.00 0.00 C ATOM 1151 C SER A 79 -24.659 -0.122 -0.315 1.00 0.00 C ATOM 1152 O SER A 79 -24.844 -0.755 -1.354 1.00 0.00 O ATOM 1153 CB SER A 79 -24.569 2.374 -0.571 1.00 0.00 C ATOM 1154 OG SER A 79 -25.389 2.720 0.542 1.00 0.00 O ATOM 0 H SER A 79 -22.971 1.171 -2.252 1.00 0.00 H new ATOM 0 HA SER A 79 -23.287 1.206 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 79 -23.896 3.201 -0.797 1.00 0.00 H new ATOM 0 HB3 SER A 79 -25.196 2.224 -1.450 1.00 0.00 H new ATOM 0 HG SER A 79 -25.380 3.692 0.666 1.00 0.00 H new ATOM 1160 N GLY A 80 -25.201 -0.425 0.855 1.00 0.00 N ATOM 1161 CA GLY A 80 -26.086 -1.569 0.996 1.00 0.00 C ATOM 1162 C GLY A 80 -27.289 -1.451 0.058 1.00 0.00 C ATOM 1163 O GLY A 80 -27.304 -2.048 -1.017 1.00 0.00 O ATOM 0 H GLY A 80 -25.045 0.102 1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -25.539 -2.486 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -26.431 -1.642 2.028 1.00 0.00 H new ATOM 1167 N PRO A 81 -28.294 -0.655 0.511 1.00 0.00 N ATOM 1168 CA PRO A 81 -29.499 -0.450 -0.276 1.00 0.00 C ATOM 1169 C PRO A 81 -29.233 0.494 -1.450 1.00 0.00 C ATOM 1170 O PRO A 81 -29.507 0.153 -2.599 1.00 0.00 O ATOM 1171 CB PRO A 81 -30.522 0.096 0.707 1.00 0.00 C ATOM 1172 CG PRO A 81 -29.726 0.614 1.893 1.00 0.00 C ATOM 1173 CD PRO A 81 -28.311 0.069 1.779 1.00 0.00 C ATOM 0 HA PRO A 81 -29.862 -1.368 -0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -31.112 0.893 0.254 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -31.221 -0.682 1.015 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.716 1.704 1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -30.184 0.294 2.829 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -27.575 0.873 1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -28.072 -0.589 2.614 1.00 0.00 H new ATOM 1181 N SER A 82 -28.703 1.662 -1.120 1.00 0.00 N ATOM 1182 CA SER A 82 -28.397 2.659 -2.132 1.00 0.00 C ATOM 1183 C SER A 82 -27.849 3.925 -1.472 1.00 0.00 C ATOM 1184 O SER A 82 -28.427 4.428 -0.509 1.00 0.00 O ATOM 1185 CB SER A 82 -29.634 2.990 -2.970 1.00 0.00 C ATOM 1186 OG SER A 82 -29.648 2.278 -4.205 1.00 0.00 O ATOM 0 H SER A 82 -28.477 1.941 -0.165 1.00 0.00 H new ATOM 0 HA SER A 82 -27.639 2.248 -2.798 1.00 0.00 H new ATOM 0 HB2 SER A 82 -30.532 2.748 -2.402 1.00 0.00 H new ATOM 0 HB3 SER A 82 -29.661 4.061 -3.169 1.00 0.00 H new ATOM 0 HG SER A 82 -29.601 1.315 -4.028 1.00 0.00 H new ATOM 1192 N SER A 83 -26.740 4.405 -2.015 1.00 0.00 N ATOM 1193 CA SER A 83 -26.107 5.603 -1.491 1.00 0.00 C ATOM 1194 C SER A 83 -26.944 6.834 -1.845 1.00 0.00 C ATOM 1195 O SER A 83 -27.317 7.024 -3.002 1.00 0.00 O ATOM 1196 CB SER A 83 -24.684 5.756 -2.030 1.00 0.00 C ATOM 1197 OG SER A 83 -23.918 6.681 -1.263 1.00 0.00 O ATOM 0 H SER A 83 -26.263 3.985 -2.813 1.00 0.00 H new ATOM 0 HA SER A 83 -26.047 5.511 -0.407 1.00 0.00 H new ATOM 0 HB2 SER A 83 -24.189 4.785 -2.026 1.00 0.00 H new ATOM 0 HB3 SER A 83 -24.723 6.090 -3.067 1.00 0.00 H new ATOM 0 HG SER A 83 -23.015 6.749 -1.639 1.00 0.00 H new ATOM 1203 N GLY A 84 -27.214 7.639 -0.828 1.00 0.00 N ATOM 1204 CA GLY A 84 -27.999 8.847 -1.018 1.00 0.00 C ATOM 1205 C GLY A 84 -29.463 8.613 -0.641 1.00 0.00 C ATOM 1206 O GLY A 84 -29.919 9.070 0.406 1.00 0.00 O ATOM 0 H GLY A 84 -26.903 7.478 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -27.587 9.652 -0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -27.934 9.168 -2.058 1.00 0.00 H new TER 1210 GLY A 84