USER MOD reduce.3.24.130724 H: found=0, std=0, add=1207, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1208 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 18 HIS : no HE2:sc= -0.317 K(o=0.87,f=-9!) USER MOD Set 1.2: A 81 SER OG : rot -27:sc= 1.18 USER MOD Set 2.1: A 77 MET CE :methyl 160:sc= -0.415 (180deg=-1.14) USER MOD Set 2.2: A 111 MET CE :methyl 156:sc= -0.149 (180deg=-0.835) USER MOD Set 3.1: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 72 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.4!) USER MOD Set 4.1: A 44 SER OG : rot 180:sc= 1.02 USER MOD Set 4.2: A 74 LYS NZ :NH3+ 153:sc= 1.19 (180deg=0) USER MOD Set 5.1: A 33 ASN : amide:sc= 0.476 X(o=0.64,f=0.44) USER MOD Set 5.2: A 39 THR OG1 : rot -144:sc= 0.165 USER MOD Set 6.1: A 35 MET CE :methyl -105:sc= -2.4 (180deg=-2.29!) USER MOD Set 6.2: A 86 ASN : amide:sc= 0.145 X(o=-2.3,f=-2) USER MOD Set 7.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -114:sc= 1.23 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0459 USER MOD Single : A 19 ASN : amide:sc= -3.21! C(o=-3.2!,f=-3.9!) USER MOD Single : A 23 TYR OH : rot 67:sc= 1.23 USER MOD Single : A 25 SER OG : rot 144:sc= 0.758 USER MOD Single : A 27 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.042) USER MOD Single : A 51 GLN : amide:sc= -2.11! C(o=-2.1!,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= 0.922 (180deg=0.785) USER MOD Single : A 60 TYR OH : rot 61:sc= 1.26 USER MOD Single : A 62 CYS SG : rot 151:sc= -1.64! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 174:sc=-0.00485 (180deg=-0.0467) USER MOD Single : A 80 THR OG1 : rot 92:sc= 0.918 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.191 F(o=-1.4,f=-0.19) USER MOD Single : A 95 TYR OH : rot 14:sc= -0.438 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 2.18 K(o=2.2,f=-1.7) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 116 TYR OH : rot -15:sc= 0 USER MOD Single : A 117 MET CE :methyl -151:sc= -2.22! (180deg=-3.01!) USER MOD Single : A 120 ASN : amide:sc= -0.69 X(o=-0.69,f=-0.46) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 MET CE :methyl -115:sc= -0.197 (180deg=-2.03) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 LYS NZ :NH3+ 135:sc= 1.67 (180deg=0.79) USER MOD Single : A 139 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ -172:sc= -0.0114 (180deg=-0.105) USER MOD Single : A 142 LYS NZ :NH3+ -170:sc= -0.0205 (180deg=-0.155) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ -125:sc= -0.0109 (180deg=-0.98) USER MOD Single : A 149 LYS NZ :NH3+ -114:sc= 0.883 (180deg=-0.553) USER MOD Single : A 151 MET CE :methyl 134:sc= -0.958 (180deg=-2.94!) USER MOD Single : A 153 CYS SG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 GLN : amide:sc= 0.465 X(o=0.47,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 10 -39.533 -9.756 -6.318 1.00 44.42 N ATOM 2 CA CYS A 10 -39.628 -11.180 -6.389 1.00 12.31 C ATOM 3 C CYS A 10 -38.350 -11.686 -6.986 1.00 72.22 C ATOM 4 O CYS A 10 -38.061 -11.424 -8.161 1.00 3.44 O ATOM 5 CB CYS A 10 -40.834 -11.598 -7.229 1.00 31.42 C ATOM 6 SG CYS A 10 -42.410 -11.008 -6.577 1.00 63.02 S ATOM 0 HA CYS A 10 -39.772 -11.606 -5.396 1.00 12.31 H new ATOM 0 HB2 CYS A 10 -40.707 -11.222 -8.244 1.00 31.42 H new ATOM 0 HB3 CYS A 10 -40.862 -12.686 -7.293 1.00 31.42 H new ATOM 0 HG CYS A 10 -43.376 -11.406 -7.351 1.00 63.02 H new ATOM 12 N SER A 11 -37.568 -12.361 -6.186 1.00 72.52 N ATOM 13 CA SER A 11 -36.286 -12.823 -6.609 1.00 32.22 C ATOM 14 C SER A 11 -36.435 -13.946 -7.615 1.00 3.20 C ATOM 15 O SER A 11 -36.842 -15.064 -7.277 1.00 54.21 O ATOM 16 CB SER A 11 -35.435 -13.260 -5.407 1.00 31.11 C ATOM 17 OG SER A 11 -34.113 -13.587 -5.809 1.00 4.25 O ATOM 0 H SER A 11 -37.808 -12.603 -5.224 1.00 72.52 H new ATOM 0 HA SER A 11 -35.766 -11.998 -7.096 1.00 32.22 H new ATOM 0 HB2 SER A 11 -35.406 -12.460 -4.668 1.00 31.11 H new ATOM 0 HB3 SER A 11 -35.896 -14.122 -4.925 1.00 31.11 H new ATOM 0 HG SER A 11 -33.956 -14.544 -5.668 1.00 4.25 H new ATOM 23 N SER A 12 -36.154 -13.626 -8.843 1.00 53.34 N ATOM 24 CA SER A 12 -36.192 -14.564 -9.912 1.00 10.12 C ATOM 25 C SER A 12 -34.864 -15.292 -9.994 1.00 55.51 C ATOM 26 O SER A 12 -34.783 -16.403 -10.502 1.00 3.24 O ATOM 27 CB SER A 12 -36.488 -13.810 -11.197 1.00 4.31 C ATOM 28 OG SER A 12 -35.609 -12.697 -11.333 1.00 25.13 O ATOM 0 H SER A 12 -35.887 -12.684 -9.130 1.00 53.34 H new ATOM 0 HA SER A 12 -36.971 -15.308 -9.748 1.00 10.12 H new ATOM 0 HB2 SER A 12 -36.376 -14.477 -12.052 1.00 4.31 H new ATOM 0 HB3 SER A 12 -37.522 -13.467 -11.195 1.00 4.31 H new ATOM 0 HG SER A 12 -35.810 -12.221 -12.166 1.00 25.13 H new ATOM 34 N ASP A 13 -33.842 -14.648 -9.447 1.00 62.00 N ATOM 35 CA ASP A 13 -32.484 -15.145 -9.433 1.00 3.45 C ATOM 36 C ASP A 13 -31.917 -15.354 -10.810 1.00 0.22 C ATOM 37 O ASP A 13 -31.957 -16.453 -11.388 1.00 22.45 O ATOM 38 CB ASP A 13 -32.255 -16.341 -8.488 1.00 24.33 C ATOM 39 CG ASP A 13 -32.349 -15.940 -7.028 1.00 13.13 C ATOM 40 OD1 ASP A 13 -31.338 -15.465 -6.468 1.00 51.31 O ATOM 41 OD2 ASP A 13 -33.438 -16.073 -6.417 1.00 51.51 O ATOM 0 H ASP A 13 -33.943 -13.742 -8.990 1.00 62.00 H new ATOM 0 HA ASP A 13 -31.900 -14.338 -8.992 1.00 3.45 H new ATOM 0 HB2 ASP A 13 -32.992 -17.116 -8.699 1.00 24.33 H new ATOM 0 HB3 ASP A 13 -31.274 -16.773 -8.682 1.00 24.33 H new ATOM 46 N SER A 14 -31.455 -14.275 -11.351 1.00 63.21 N ATOM 47 CA SER A 14 -30.825 -14.240 -12.616 1.00 12.22 C ATOM 48 C SER A 14 -29.343 -14.381 -12.340 1.00 53.02 C ATOM 49 O SER A 14 -28.752 -13.513 -11.670 1.00 1.21 O ATOM 50 CB SER A 14 -31.147 -12.879 -13.278 1.00 3.12 C ATOM 51 OG SER A 14 -30.659 -12.773 -14.612 1.00 52.04 O ATOM 0 H SER A 14 -31.512 -13.362 -10.901 1.00 63.21 H new ATOM 0 HA SER A 14 -31.162 -15.029 -13.289 1.00 12.22 H new ATOM 0 HB2 SER A 14 -32.227 -12.730 -13.280 1.00 3.12 H new ATOM 0 HB3 SER A 14 -30.716 -12.079 -12.676 1.00 3.12 H new ATOM 0 HG SER A 14 -30.894 -11.894 -14.977 1.00 52.04 H new ATOM 57 N LEU A 15 -28.737 -15.473 -12.797 1.00 71.45 N ATOM 58 CA LEU A 15 -27.368 -15.732 -12.520 1.00 65.41 C ATOM 59 C LEU A 15 -26.425 -14.871 -13.341 1.00 63.23 C ATOM 60 O LEU A 15 -25.812 -15.316 -14.322 1.00 24.30 O ATOM 61 CB LEU A 15 -27.009 -17.225 -12.582 1.00 32.21 C ATOM 62 CG LEU A 15 -27.591 -18.161 -11.489 1.00 72.53 C ATOM 63 CD1 LEU A 15 -27.225 -17.679 -10.090 1.00 31.32 C ATOM 64 CD2 LEU A 15 -29.099 -18.357 -11.628 1.00 10.34 C ATOM 0 H LEU A 15 -29.196 -16.186 -13.364 1.00 71.45 H new ATOM 0 HA LEU A 15 -27.222 -15.435 -11.481 1.00 65.41 H new ATOM 0 HB2 LEU A 15 -27.329 -17.605 -13.552 1.00 32.21 H new ATOM 0 HB3 LEU A 15 -25.923 -17.309 -12.549 1.00 32.21 H new ATOM 0 HG LEU A 15 -27.131 -19.138 -11.640 1.00 72.53 H new ATOM 0 HD11 LEU A 15 -27.648 -18.357 -9.349 1.00 31.32 H new ATOM 0 HD12 LEU A 15 -26.140 -17.658 -9.985 1.00 31.32 H new ATOM 0 HD13 LEU A 15 -27.624 -16.677 -9.934 1.00 31.32 H new ATOM 0 HD21 LEU A 15 -29.454 -19.020 -10.839 1.00 10.34 H new ATOM 0 HD22 LEU A 15 -29.600 -17.393 -11.545 1.00 10.34 H new ATOM 0 HD23 LEU A 15 -29.320 -18.799 -12.600 1.00 10.34 H new ATOM 76 N GLN A 16 -26.409 -13.625 -12.964 1.00 24.35 N ATOM 77 CA GLN A 16 -25.546 -12.608 -13.472 1.00 63.23 C ATOM 78 C GLN A 16 -25.153 -11.760 -12.335 1.00 30.12 C ATOM 79 O GLN A 16 -25.917 -10.898 -11.880 1.00 1.32 O ATOM 80 CB GLN A 16 -26.206 -11.743 -14.526 1.00 40.43 C ATOM 81 CG GLN A 16 -26.485 -12.447 -15.806 1.00 33.42 C ATOM 82 CD GLN A 16 -27.102 -11.527 -16.814 1.00 32.12 C ATOM 83 OE1 GLN A 16 -28.325 -11.397 -16.896 1.00 31.11 O ATOM 84 NE2 GLN A 16 -26.274 -10.856 -17.568 1.00 12.53 N ATOM 0 H GLN A 16 -27.042 -13.274 -12.246 1.00 24.35 H new ATOM 0 HA GLN A 16 -24.692 -13.088 -13.950 1.00 63.23 H new ATOM 0 HB2 GLN A 16 -27.143 -11.354 -14.126 1.00 40.43 H new ATOM 0 HB3 GLN A 16 -25.565 -10.885 -14.729 1.00 40.43 H new ATOM 0 HG2 GLN A 16 -25.558 -12.858 -16.206 1.00 33.42 H new ATOM 0 HG3 GLN A 16 -27.153 -13.288 -15.622 1.00 33.42 H new ATOM 0 HE21 GLN A 16 -25.268 -10.993 -17.468 1.00 12.53 H new ATOM 0 HE22 GLN A 16 -26.633 -10.195 -18.257 1.00 12.53 H new ATOM 93 N LEU A 17 -24.026 -12.027 -11.832 1.00 31.25 N ATOM 94 CA LEU A 17 -23.545 -11.301 -10.714 1.00 60.33 C ATOM 95 C LEU A 17 -22.594 -10.236 -11.150 1.00 55.11 C ATOM 96 O LEU A 17 -21.977 -10.330 -12.216 1.00 50.50 O ATOM 97 CB LEU A 17 -22.965 -12.213 -9.652 1.00 44.15 C ATOM 98 CG LEU A 17 -23.965 -13.217 -9.047 1.00 43.41 C ATOM 99 CD1 LEU A 17 -23.290 -14.115 -8.029 1.00 70.25 C ATOM 100 CD2 LEU A 17 -25.146 -12.483 -8.407 1.00 20.50 C ATOM 0 H LEU A 17 -23.398 -12.754 -12.174 1.00 31.25 H new ATOM 0 HA LEU A 17 -24.391 -10.803 -10.241 1.00 60.33 H new ATOM 0 HB2 LEU A 17 -22.132 -12.767 -10.084 1.00 44.15 H new ATOM 0 HB3 LEU A 17 -22.557 -11.599 -8.849 1.00 44.15 H new ATOM 0 HG LEU A 17 -24.340 -13.843 -9.857 1.00 43.41 H new ATOM 0 HD11 LEU A 17 -24.020 -14.813 -7.619 1.00 70.25 H new ATOM 0 HD12 LEU A 17 -22.486 -14.672 -8.511 1.00 70.25 H new ATOM 0 HD13 LEU A 17 -22.878 -13.507 -7.224 1.00 70.25 H new ATOM 0 HD21 LEU A 17 -25.841 -13.210 -7.986 1.00 20.50 H new ATOM 0 HD22 LEU A 17 -24.782 -11.828 -7.616 1.00 20.50 H new ATOM 0 HD23 LEU A 17 -25.658 -11.888 -9.163 1.00 20.50 H new ATOM 112 N HIS A 18 -22.505 -9.226 -10.365 1.00 1.45 N ATOM 113 CA HIS A 18 -21.742 -8.060 -10.693 1.00 62.03 C ATOM 114 C HIS A 18 -20.605 -7.905 -9.743 1.00 40.11 C ATOM 115 O HIS A 18 -20.609 -8.490 -8.640 1.00 21.44 O ATOM 116 CB HIS A 18 -22.624 -6.817 -10.613 1.00 73.33 C ATOM 117 CG HIS A 18 -23.807 -6.836 -11.520 1.00 54.41 C ATOM 118 ND1 HIS A 18 -23.886 -6.096 -12.665 1.00 72.21 N ATOM 119 CD2 HIS A 18 -24.983 -7.494 -11.420 1.00 72.45 C ATOM 120 CE1 HIS A 18 -25.051 -6.286 -13.234 1.00 63.02 C ATOM 121 NE2 HIS A 18 -25.739 -7.133 -12.501 1.00 5.42 N ATOM 0 H HIS A 18 -22.966 -9.177 -9.457 1.00 1.45 H new ATOM 0 HA HIS A 18 -21.359 -8.175 -11.707 1.00 62.03 H new ATOM 0 HB2 HIS A 18 -22.971 -6.700 -9.587 1.00 73.33 H new ATOM 0 HB3 HIS A 18 -22.018 -5.942 -10.846 1.00 73.33 H new ATOM 0 HD1 HIS A 18 -23.150 -5.488 -13.023 1.00 72.21 H new ATOM 0 HD2 HIS A 18 -25.272 -8.177 -10.634 1.00 72.45 H new ATOM 0 HE1 HIS A 18 -25.389 -5.825 -14.150 1.00 63.02 H new ATOM 130 N ASN A 19 -19.640 -7.151 -10.160 1.00 14.55 N ATOM 131 CA ASN A 19 -18.501 -6.848 -9.360 1.00 44.31 C ATOM 132 C ASN A 19 -18.182 -5.356 -9.392 1.00 24.10 C ATOM 133 O ASN A 19 -18.287 -4.692 -10.441 1.00 13.15 O ATOM 134 CB ASN A 19 -17.296 -7.741 -9.702 1.00 13.15 C ATOM 135 CG ASN A 19 -16.964 -7.834 -11.175 1.00 20.10 C ATOM 136 OD1 ASN A 19 -17.216 -6.923 -11.947 1.00 64.20 O ATOM 137 ND2 ASN A 19 -16.403 -8.958 -11.571 1.00 62.40 N ATOM 0 H ASN A 19 -19.622 -6.721 -11.085 1.00 14.55 H new ATOM 0 HA ASN A 19 -18.749 -7.085 -8.325 1.00 44.31 H new ATOM 0 HB2 ASN A 19 -16.422 -7.364 -9.171 1.00 13.15 H new ATOM 0 HB3 ASN A 19 -17.489 -8.745 -9.325 1.00 13.15 H new ATOM 0 HD21 ASN A 19 -16.164 -9.090 -12.554 1.00 62.40 H new ATOM 0 HD22 ASN A 19 -16.208 -9.696 -10.895 1.00 62.40 H new ATOM 144 N VAL A 20 -17.842 -4.828 -8.241 1.00 45.11 N ATOM 145 CA VAL A 20 -17.604 -3.411 -8.070 1.00 21.40 C ATOM 146 C VAL A 20 -16.296 -3.196 -7.315 1.00 15.42 C ATOM 147 O VAL A 20 -15.996 -3.922 -6.376 1.00 64.20 O ATOM 148 CB VAL A 20 -18.780 -2.743 -7.263 1.00 41.20 C ATOM 149 CG1 VAL A 20 -18.547 -1.251 -7.045 1.00 23.30 C ATOM 150 CG2 VAL A 20 -20.118 -2.965 -7.957 1.00 63.12 C ATOM 0 H VAL A 20 -17.721 -5.373 -7.387 1.00 45.11 H new ATOM 0 HA VAL A 20 -17.544 -2.951 -9.057 1.00 21.40 H new ATOM 0 HB VAL A 20 -18.805 -3.226 -6.286 1.00 41.20 H new ATOM 0 HG11 VAL A 20 -19.382 -0.830 -6.485 1.00 23.30 H new ATOM 0 HG12 VAL A 20 -17.624 -1.105 -6.485 1.00 23.30 H new ATOM 0 HG13 VAL A 20 -18.469 -0.750 -8.010 1.00 23.30 H new ATOM 0 HG21 VAL A 20 -20.911 -2.493 -7.377 1.00 63.12 H new ATOM 0 HG22 VAL A 20 -20.088 -2.527 -8.955 1.00 63.12 H new ATOM 0 HG23 VAL A 20 -20.314 -4.034 -8.036 1.00 63.12 H new ATOM 160 N PHE A 21 -15.538 -2.220 -7.733 1.00 60.41 N ATOM 161 CA PHE A 21 -14.305 -1.871 -7.074 1.00 51.25 C ATOM 162 C PHE A 21 -14.614 -0.769 -6.089 1.00 40.55 C ATOM 163 O PHE A 21 -15.145 0.284 -6.462 1.00 32.40 O ATOM 164 CB PHE A 21 -13.279 -1.416 -8.121 1.00 44.33 C ATOM 165 CG PHE A 21 -11.947 -0.965 -7.589 1.00 22.51 C ATOM 166 CD1 PHE A 21 -11.006 -1.882 -7.145 1.00 73.12 C ATOM 167 CD2 PHE A 21 -11.627 0.379 -7.553 1.00 35.53 C ATOM 168 CE1 PHE A 21 -9.784 -1.465 -6.677 1.00 70.13 C ATOM 169 CE2 PHE A 21 -10.405 0.800 -7.086 1.00 2.23 C ATOM 170 CZ PHE A 21 -9.482 -0.124 -6.648 1.00 61.15 C ATOM 0 H PHE A 21 -15.757 -1.641 -8.543 1.00 60.41 H new ATOM 0 HA PHE A 21 -13.879 -2.723 -6.544 1.00 51.25 H new ATOM 0 HB2 PHE A 21 -13.110 -2.238 -8.816 1.00 44.33 H new ATOM 0 HB3 PHE A 21 -13.714 -0.598 -8.695 1.00 44.33 H new ATOM 0 HD1 PHE A 21 -11.237 -2.937 -7.168 1.00 73.12 H new ATOM 0 HD2 PHE A 21 -12.346 1.108 -7.896 1.00 35.53 H new ATOM 0 HE1 PHE A 21 -9.061 -2.190 -6.332 1.00 70.13 H new ATOM 0 HE2 PHE A 21 -10.169 1.854 -7.062 1.00 2.23 H new ATOM 0 HZ PHE A 21 -8.521 0.205 -6.282 1.00 61.15 H new ATOM 180 N VAL A 22 -14.298 -1.005 -4.850 1.00 24.13 N ATOM 181 CA VAL A 22 -14.645 -0.094 -3.799 1.00 65.34 C ATOM 182 C VAL A 22 -13.473 0.738 -3.346 1.00 54.55 C ATOM 183 O VAL A 22 -12.317 0.435 -3.658 1.00 54.30 O ATOM 184 CB VAL A 22 -15.308 -0.807 -2.605 1.00 60.42 C ATOM 185 CG1 VAL A 22 -16.575 -1.494 -3.068 1.00 4.12 C ATOM 186 CG2 VAL A 22 -14.361 -1.806 -1.957 1.00 2.43 C ATOM 0 H VAL A 22 -13.792 -1.834 -4.539 1.00 24.13 H new ATOM 0 HA VAL A 22 -15.381 0.588 -4.226 1.00 65.34 H new ATOM 0 HB VAL A 22 -15.557 -0.061 -1.850 1.00 60.42 H new ATOM 0 HG11 VAL A 22 -17.045 -1.999 -2.224 1.00 4.12 H new ATOM 0 HG12 VAL A 22 -17.262 -0.753 -3.476 1.00 4.12 H new ATOM 0 HG13 VAL A 22 -16.331 -2.226 -3.838 1.00 4.12 H new ATOM 0 HG21 VAL A 22 -14.861 -2.290 -1.118 1.00 2.43 H new ATOM 0 HG22 VAL A 22 -14.069 -2.559 -2.689 1.00 2.43 H new ATOM 0 HG23 VAL A 22 -13.473 -1.286 -1.598 1.00 2.43 H new ATOM 196 N TYR A 23 -13.780 1.765 -2.585 1.00 2.44 N ATOM 197 CA TYR A 23 -12.794 2.739 -2.185 1.00 10.31 C ATOM 198 C TYR A 23 -13.173 3.417 -0.856 1.00 2.15 C ATOM 199 O TYR A 23 -12.341 3.562 0.025 1.00 41.41 O ATOM 200 CB TYR A 23 -12.643 3.796 -3.314 1.00 51.21 C ATOM 201 CG TYR A 23 -13.929 4.566 -3.628 1.00 65.54 C ATOM 202 CD1 TYR A 23 -15.020 3.937 -4.226 1.00 24.04 C ATOM 203 CD2 TYR A 23 -14.052 5.906 -3.304 1.00 70.31 C ATOM 204 CE1 TYR A 23 -16.181 4.616 -4.475 1.00 41.04 C ATOM 205 CE2 TYR A 23 -15.215 6.593 -3.562 1.00 3.40 C ATOM 206 CZ TYR A 23 -16.276 5.943 -4.142 1.00 51.11 C ATOM 207 OH TYR A 23 -17.438 6.621 -4.368 1.00 72.35 O ATOM 0 H TYR A 23 -14.718 1.947 -2.228 1.00 2.44 H new ATOM 0 HA TYR A 23 -11.843 2.230 -2.025 1.00 10.31 H new ATOM 0 HB2 TYR A 23 -11.867 4.507 -3.030 1.00 51.21 H new ATOM 0 HB3 TYR A 23 -12.301 3.297 -4.221 1.00 51.21 H new ATOM 0 HD1 TYR A 23 -14.947 2.894 -4.498 1.00 24.04 H new ATOM 0 HD2 TYR A 23 -13.222 6.420 -2.842 1.00 70.31 H new ATOM 0 HE1 TYR A 23 -17.019 4.110 -4.932 1.00 41.04 H new ATOM 0 HE2 TYR A 23 -15.293 7.640 -3.309 1.00 3.40 H new ATOM 0 HH TYR A 23 -18.141 6.270 -3.782 1.00 72.35 H new ATOM 217 N GLY A 24 -14.436 3.821 -0.720 1.00 35.13 N ATOM 218 CA GLY A 24 -14.844 4.532 0.471 1.00 63.11 C ATOM 219 C GLY A 24 -15.953 3.853 1.242 1.00 62.42 C ATOM 220 O GLY A 24 -15.692 2.973 2.049 1.00 11.51 O ATOM 0 H GLY A 24 -15.173 3.668 -1.408 1.00 35.13 H new ATOM 0 HA2 GLY A 24 -13.980 4.650 1.125 1.00 63.11 H new ATOM 0 HA3 GLY A 24 -15.171 5.533 0.190 1.00 63.11 H new ATOM 224 N SER A 25 -17.191 4.229 0.946 1.00 54.42 N ATOM 225 CA SER A 25 -18.384 3.785 1.696 1.00 21.14 C ATOM 226 C SER A 25 -18.573 2.259 1.731 1.00 54.52 C ATOM 227 O SER A 25 -19.329 1.744 2.560 1.00 74.33 O ATOM 228 CB SER A 25 -19.625 4.410 1.079 1.00 61.22 C ATOM 229 OG SER A 25 -19.510 5.817 0.989 1.00 1.22 O ATOM 0 H SER A 25 -17.409 4.857 0.172 1.00 54.42 H new ATOM 0 HA SER A 25 -18.232 4.109 2.725 1.00 21.14 H new ATOM 0 HB2 SER A 25 -19.787 3.993 0.085 1.00 61.22 H new ATOM 0 HB3 SER A 25 -20.499 4.153 1.678 1.00 61.22 H new ATOM 0 HG SER A 25 -19.940 6.128 0.165 1.00 1.22 H new ATOM 235 N PHE A 26 -17.911 1.550 0.839 1.00 75.44 N ATOM 236 CA PHE A 26 -18.078 0.112 0.752 1.00 73.25 C ATOM 237 C PHE A 26 -16.744 -0.602 0.906 1.00 11.21 C ATOM 238 O PHE A 26 -16.619 -1.756 0.538 1.00 72.23 O ATOM 239 CB PHE A 26 -18.690 -0.267 -0.605 1.00 0.44 C ATOM 240 CG PHE A 26 -20.005 0.380 -0.922 1.00 23.25 C ATOM 241 CD1 PHE A 26 -21.058 0.350 -0.020 1.00 22.20 C ATOM 242 CD2 PHE A 26 -20.194 1.001 -2.138 1.00 0.52 C ATOM 243 CE1 PHE A 26 -22.265 0.931 -0.328 1.00 11.14 C ATOM 244 CE2 PHE A 26 -21.397 1.582 -2.449 1.00 11.50 C ATOM 245 CZ PHE A 26 -22.433 1.548 -1.545 1.00 74.14 C ATOM 0 H PHE A 26 -17.254 1.944 0.166 1.00 75.44 H new ATOM 0 HA PHE A 26 -18.742 -0.196 1.560 1.00 73.25 H new ATOM 0 HB2 PHE A 26 -17.979 -0.009 -1.390 1.00 0.44 H new ATOM 0 HB3 PHE A 26 -18.820 -1.349 -0.636 1.00 0.44 H new ATOM 0 HD1 PHE A 26 -20.928 -0.136 0.936 1.00 22.20 H new ATOM 0 HD2 PHE A 26 -19.386 1.030 -2.854 1.00 0.52 H new ATOM 0 HE1 PHE A 26 -23.078 0.903 0.383 1.00 11.14 H new ATOM 0 HE2 PHE A 26 -21.531 2.067 -3.405 1.00 11.50 H new ATOM 0 HZ PHE A 26 -23.379 2.006 -1.791 1.00 74.14 H new ATOM 255 N GLN A 27 -15.756 0.071 1.484 1.00 3.22 N ATOM 256 CA GLN A 27 -14.411 -0.519 1.597 1.00 44.31 C ATOM 257 C GLN A 27 -14.362 -1.606 2.668 1.00 74.02 C ATOM 258 O GLN A 27 -13.459 -2.441 2.677 1.00 30.22 O ATOM 259 CB GLN A 27 -13.359 0.549 1.935 1.00 40.14 C ATOM 260 CG GLN A 27 -13.521 1.160 3.324 1.00 61.44 C ATOM 261 CD GLN A 27 -12.427 2.139 3.668 1.00 12.32 C ATOM 262 OE1 GLN A 27 -11.390 1.758 4.208 1.00 4.40 O ATOM 263 NE2 GLN A 27 -12.655 3.395 3.404 1.00 3.55 N ATOM 0 H GLN A 27 -15.848 1.008 1.877 1.00 3.22 H new ATOM 0 HA GLN A 27 -14.185 -0.960 0.626 1.00 44.31 H new ATOM 0 HB2 GLN A 27 -12.367 0.104 1.858 1.00 40.14 H new ATOM 0 HB3 GLN A 27 -13.411 1.344 1.191 1.00 40.14 H new ATOM 0 HG2 GLN A 27 -14.485 1.665 3.382 1.00 61.44 H new ATOM 0 HG3 GLN A 27 -13.534 0.362 4.067 1.00 61.44 H new ATOM 0 HE21 GLN A 27 -13.528 3.671 2.955 1.00 3.55 H new ATOM 0 HE22 GLN A 27 -11.960 4.101 3.647 1.00 3.55 H new ATOM 272 N ASP A 28 -15.325 -1.594 3.550 1.00 3.45 N ATOM 273 CA ASP A 28 -15.319 -2.476 4.694 1.00 71.10 C ATOM 274 C ASP A 28 -16.495 -3.446 4.669 1.00 12.22 C ATOM 275 O ASP A 28 -17.645 -3.030 4.527 1.00 44.14 O ATOM 276 CB ASP A 28 -15.337 -1.639 5.967 1.00 65.22 C ATOM 277 CG ASP A 28 -15.415 -2.460 7.218 1.00 23.41 C ATOM 278 OD1 ASP A 28 -14.368 -2.936 7.697 1.00 70.52 O ATOM 279 OD2 ASP A 28 -16.511 -2.627 7.737 1.00 11.01 O ATOM 0 H ASP A 28 -16.135 -0.976 3.499 1.00 3.45 H new ATOM 0 HA ASP A 28 -14.412 -3.079 4.663 1.00 71.10 H new ATOM 0 HB2 ASP A 28 -14.438 -1.023 6.001 1.00 65.22 H new ATOM 0 HB3 ASP A 28 -16.188 -0.959 5.934 1.00 65.22 H new ATOM 284 N PRO A 29 -16.218 -4.763 4.818 1.00 54.14 N ATOM 285 CA PRO A 29 -17.253 -5.809 4.795 1.00 54.30 C ATOM 286 C PRO A 29 -18.231 -5.703 5.970 1.00 15.34 C ATOM 287 O PRO A 29 -19.417 -6.004 5.836 1.00 23.23 O ATOM 288 CB PRO A 29 -16.456 -7.115 4.882 1.00 50.23 C ATOM 289 CG PRO A 29 -15.148 -6.735 5.473 1.00 42.32 C ATOM 290 CD PRO A 29 -14.867 -5.337 5.011 1.00 53.33 C ATOM 0 HA PRO A 29 -17.875 -5.732 3.903 1.00 54.30 H new ATOM 0 HB2 PRO A 29 -16.970 -7.849 5.502 1.00 50.23 H new ATOM 0 HB3 PRO A 29 -16.327 -7.564 3.897 1.00 50.23 H new ATOM 0 HG2 PRO A 29 -15.184 -6.785 6.561 1.00 42.32 H new ATOM 0 HG3 PRO A 29 -14.362 -7.417 5.149 1.00 42.32 H new ATOM 0 HD2 PRO A 29 -14.294 -4.777 5.750 1.00 53.33 H new ATOM 0 HD3 PRO A 29 -14.290 -5.327 4.086 1.00 53.33 H new ATOM 298 N ASP A 30 -17.743 -5.248 7.108 1.00 54.53 N ATOM 299 CA ASP A 30 -18.580 -5.096 8.294 1.00 50.54 C ATOM 300 C ASP A 30 -19.664 -4.068 8.022 1.00 13.34 C ATOM 301 O ASP A 30 -20.822 -4.239 8.431 1.00 12.23 O ATOM 302 CB ASP A 30 -17.734 -4.702 9.503 1.00 53.13 C ATOM 303 CG ASP A 30 -18.535 -4.492 10.760 1.00 73.33 C ATOM 304 OD1 ASP A 30 -18.790 -5.475 11.486 1.00 23.23 O ATOM 305 OD2 ASP A 30 -18.913 -3.352 11.050 1.00 11.43 O ATOM 0 H ASP A 30 -16.769 -4.975 7.242 1.00 54.53 H new ATOM 0 HA ASP A 30 -19.055 -6.050 8.524 1.00 50.54 H new ATOM 0 HB2 ASP A 30 -16.990 -5.478 9.683 1.00 53.13 H new ATOM 0 HB3 ASP A 30 -17.190 -3.786 9.272 1.00 53.13 H new ATOM 310 N VAL A 31 -19.285 -3.024 7.294 1.00 4.32 N ATOM 311 CA VAL A 31 -20.218 -1.998 6.844 1.00 73.44 C ATOM 312 C VAL A 31 -21.209 -2.603 5.862 1.00 14.34 C ATOM 313 O VAL A 31 -22.404 -2.355 5.941 1.00 43.31 O ATOM 314 CB VAL A 31 -19.483 -0.813 6.140 1.00 12.01 C ATOM 315 CG1 VAL A 31 -20.477 0.184 5.560 1.00 42.02 C ATOM 316 CG2 VAL A 31 -18.551 -0.113 7.102 1.00 11.40 C ATOM 0 H VAL A 31 -18.322 -2.865 6.999 1.00 4.32 H new ATOM 0 HA VAL A 31 -20.731 -1.614 7.726 1.00 73.44 H new ATOM 0 HB VAL A 31 -18.896 -1.229 5.321 1.00 12.01 H new ATOM 0 HG11 VAL A 31 -19.936 0.998 5.076 1.00 42.02 H new ATOM 0 HG12 VAL A 31 -21.110 -0.317 4.827 1.00 42.02 H new ATOM 0 HG13 VAL A 31 -21.098 0.586 6.360 1.00 42.02 H new ATOM 0 HG21 VAL A 31 -18.050 0.709 6.590 1.00 11.40 H new ATOM 0 HG22 VAL A 31 -19.123 0.278 7.943 1.00 11.40 H new ATOM 0 HG23 VAL A 31 -17.807 -0.821 7.467 1.00 11.40 H new ATOM 326 N ILE A 32 -20.703 -3.423 4.960 1.00 50.20 N ATOM 327 CA ILE A 32 -21.513 -4.031 3.923 1.00 71.12 C ATOM 328 C ILE A 32 -22.625 -4.907 4.507 1.00 63.13 C ATOM 329 O ILE A 32 -23.783 -4.828 4.066 1.00 62.30 O ATOM 330 CB ILE A 32 -20.637 -4.817 2.934 1.00 24.15 C ATOM 331 CG1 ILE A 32 -19.659 -3.879 2.228 1.00 73.35 C ATOM 332 CG2 ILE A 32 -21.479 -5.554 1.913 1.00 24.15 C ATOM 333 CD1 ILE A 32 -20.336 -2.768 1.459 1.00 42.10 C ATOM 0 H ILE A 32 -19.718 -3.686 4.926 1.00 50.20 H new ATOM 0 HA ILE A 32 -22.001 -3.226 3.373 1.00 71.12 H new ATOM 0 HB ILE A 32 -20.075 -5.556 3.504 1.00 24.15 H new ATOM 0 HG12 ILE A 32 -18.989 -3.442 2.968 1.00 73.35 H new ATOM 0 HG13 ILE A 32 -19.041 -4.460 1.543 1.00 73.35 H new ATOM 0 HG21 ILE A 32 -20.828 -6.099 1.230 1.00 24.15 H new ATOM 0 HG22 ILE A 32 -22.138 -6.256 2.424 1.00 24.15 H new ATOM 0 HG23 ILE A 32 -22.078 -4.838 1.350 1.00 24.15 H new ATOM 0 HD11 ILE A 32 -19.581 -2.142 0.984 1.00 42.10 H new ATOM 0 HD12 ILE A 32 -20.985 -3.197 0.695 1.00 42.10 H new ATOM 0 HD13 ILE A 32 -20.932 -2.163 2.143 1.00 42.10 H new ATOM 345 N ASN A 33 -22.291 -5.708 5.514 1.00 44.34 N ATOM 346 CA ASN A 33 -23.290 -6.528 6.203 1.00 60.31 C ATOM 347 C ASN A 33 -24.432 -5.674 6.733 1.00 32.04 C ATOM 348 O ASN A 33 -25.590 -6.077 6.712 1.00 13.40 O ATOM 349 CB ASN A 33 -22.688 -7.328 7.371 1.00 63.02 C ATOM 350 CG ASN A 33 -21.836 -8.521 6.969 1.00 20.54 C ATOM 351 OD1 ASN A 33 -22.350 -9.624 6.785 1.00 40.42 O ATOM 352 ND2 ASN A 33 -20.547 -8.336 6.857 1.00 64.03 N ATOM 0 H ASN A 33 -21.341 -5.809 5.872 1.00 44.34 H new ATOM 0 HA ASN A 33 -23.667 -7.230 5.459 1.00 60.31 H new ATOM 0 HB2 ASN A 33 -22.080 -6.655 7.976 1.00 63.02 H new ATOM 0 HB3 ASN A 33 -23.501 -7.680 8.006 1.00 63.02 H new ATOM 0 HD21 ASN A 33 -19.939 -9.117 6.611 1.00 64.03 H new ATOM 0 HD22 ASN A 33 -20.149 -7.410 7.015 1.00 64.03 H new ATOM 359 N VAL A 34 -24.106 -4.493 7.184 1.00 23.13 N ATOM 360 CA VAL A 34 -25.098 -3.590 7.730 1.00 44.43 C ATOM 361 C VAL A 34 -25.834 -2.824 6.624 1.00 74.21 C ATOM 362 O VAL A 34 -27.049 -2.607 6.714 1.00 50.40 O ATOM 363 CB VAL A 34 -24.470 -2.592 8.748 1.00 2.21 C ATOM 364 CG1 VAL A 34 -25.523 -1.678 9.366 1.00 55.42 C ATOM 365 CG2 VAL A 34 -23.705 -3.330 9.829 1.00 14.11 C ATOM 0 H VAL A 34 -23.154 -4.126 7.186 1.00 23.13 H new ATOM 0 HA VAL A 34 -25.824 -4.206 8.261 1.00 44.43 H new ATOM 0 HB VAL A 34 -23.770 -1.965 8.196 1.00 2.21 H new ATOM 0 HG11 VAL A 34 -25.045 -0.997 10.070 1.00 55.42 H new ATOM 0 HG12 VAL A 34 -26.012 -1.103 8.580 1.00 55.42 H new ATOM 0 HG13 VAL A 34 -26.265 -2.280 9.890 1.00 55.42 H new ATOM 0 HG21 VAL A 34 -23.276 -2.611 10.527 1.00 14.11 H new ATOM 0 HG22 VAL A 34 -24.382 -3.996 10.364 1.00 14.11 H new ATOM 0 HG23 VAL A 34 -22.906 -3.915 9.374 1.00 14.11 H new ATOM 375 N MET A 35 -25.103 -2.448 5.575 1.00 2.02 N ATOM 376 CA MET A 35 -25.643 -1.624 4.505 1.00 63.13 C ATOM 377 C MET A 35 -26.766 -2.384 3.796 1.00 11.24 C ATOM 378 O MET A 35 -27.773 -1.797 3.385 1.00 60.31 O ATOM 379 CB MET A 35 -24.503 -1.212 3.537 1.00 22.00 C ATOM 380 CG MET A 35 -24.785 0.028 2.669 1.00 71.30 C ATOM 381 SD MET A 35 -26.074 -0.161 1.409 1.00 43.33 S ATOM 382 CE MET A 35 -25.288 -1.317 0.299 1.00 71.31 C ATOM 0 H MET A 35 -24.125 -2.707 5.447 1.00 2.02 H new ATOM 0 HA MET A 35 -26.071 -0.707 4.909 1.00 63.13 H new ATOM 0 HB2 MET A 35 -23.602 -1.027 4.122 1.00 22.00 H new ATOM 0 HB3 MET A 35 -24.288 -2.053 2.878 1.00 22.00 H new ATOM 0 HG2 MET A 35 -25.065 0.851 3.326 1.00 71.30 H new ATOM 0 HG3 MET A 35 -23.859 0.318 2.172 1.00 71.30 H new ATOM 0 HE1 MET A 35 -24.953 -0.792 -0.596 1.00 71.31 H new ATOM 0 HE2 MET A 35 -24.431 -1.772 0.795 1.00 71.31 H new ATOM 0 HE3 MET A 35 -26.000 -2.094 0.019 1.00 71.31 H new ATOM 392 N LEU A 36 -26.602 -3.696 3.683 1.00 45.45 N ATOM 393 CA LEU A 36 -27.659 -4.534 3.163 1.00 75.14 C ATOM 394 C LEU A 36 -27.966 -5.712 4.097 1.00 32.15 C ATOM 395 O LEU A 36 -28.933 -5.670 4.854 1.00 24.24 O ATOM 396 CB LEU A 36 -27.441 -5.009 1.685 1.00 5.32 C ATOM 397 CG LEU A 36 -26.132 -5.760 1.328 1.00 72.42 C ATOM 398 CD1 LEU A 36 -26.300 -6.478 0.009 1.00 62.21 C ATOM 399 CD2 LEU A 36 -24.984 -4.788 1.181 1.00 31.33 C ATOM 0 H LEU A 36 -25.751 -4.194 3.944 1.00 45.45 H new ATOM 0 HA LEU A 36 -28.538 -3.890 3.129 1.00 75.14 H new ATOM 0 HB2 LEU A 36 -28.276 -5.657 1.420 1.00 5.32 H new ATOM 0 HB3 LEU A 36 -27.503 -4.130 1.043 1.00 5.32 H new ATOM 0 HG LEU A 36 -25.920 -6.467 2.130 1.00 72.42 H new ATOM 0 HD11 LEU A 36 -25.378 -7.005 -0.239 1.00 62.21 H new ATOM 0 HD12 LEU A 36 -27.118 -7.195 0.086 1.00 62.21 H new ATOM 0 HD13 LEU A 36 -26.525 -5.753 -0.774 1.00 62.21 H new ATOM 0 HD21 LEU A 36 -24.075 -5.334 0.931 1.00 31.33 H new ATOM 0 HD22 LEU A 36 -25.210 -4.076 0.387 1.00 31.33 H new ATOM 0 HD23 LEU A 36 -24.839 -4.252 2.119 1.00 31.33 H new ATOM 411 N ASP A 37 -27.085 -6.707 4.106 1.00 50.24 N ATOM 412 CA ASP A 37 -27.290 -7.984 4.827 1.00 31.43 C ATOM 413 C ASP A 37 -25.984 -8.726 4.872 1.00 43.21 C ATOM 414 O ASP A 37 -25.452 -9.029 5.933 1.00 52.01 O ATOM 415 CB ASP A 37 -28.297 -8.945 4.117 1.00 30.32 C ATOM 416 CG ASP A 37 -29.726 -8.473 4.008 1.00 71.23 C ATOM 417 OD1 ASP A 37 -30.476 -8.557 5.000 1.00 15.03 O ATOM 418 OD2 ASP A 37 -30.133 -8.046 2.906 1.00 64.44 O ATOM 0 H ASP A 37 -26.194 -6.661 3.611 1.00 50.24 H new ATOM 0 HA ASP A 37 -27.681 -7.719 5.809 1.00 31.43 H new ATOM 0 HB2 ASP A 37 -27.927 -9.142 3.111 1.00 30.32 H new ATOM 0 HB3 ASP A 37 -28.293 -9.896 4.650 1.00 30.32 H new ATOM 423 N ARG A 38 -25.466 -8.985 3.695 1.00 73.24 N ATOM 424 CA ARG A 38 -24.274 -9.786 3.508 1.00 12.13 C ATOM 425 C ARG A 38 -23.273 -9.117 2.592 1.00 35.54 C ATOM 426 O ARG A 38 -23.611 -8.166 1.886 1.00 25.43 O ATOM 427 CB ARG A 38 -24.634 -11.234 3.069 1.00 11.23 C ATOM 428 CG ARG A 38 -25.781 -11.362 2.043 1.00 30.42 C ATOM 429 CD ARG A 38 -25.492 -10.710 0.701 1.00 2.05 C ATOM 430 NE ARG A 38 -26.675 -10.740 -0.171 1.00 63.44 N ATOM 431 CZ ARG A 38 -26.768 -10.159 -1.376 1.00 24.13 C ATOM 432 NH1 ARG A 38 -25.701 -9.611 -1.953 1.00 1.02 N ATOM 433 NH2 ARG A 38 -27.917 -10.164 -2.024 1.00 2.43 N ATOM 0 H ARG A 38 -25.867 -8.640 2.823 1.00 73.24 H new ATOM 0 HA ARG A 38 -23.774 -9.868 4.473 1.00 12.13 H new ATOM 0 HB2 ARG A 38 -23.742 -11.698 2.648 1.00 11.23 H new ATOM 0 HB3 ARG A 38 -24.901 -11.806 3.957 1.00 11.23 H new ATOM 0 HG2 ARG A 38 -25.994 -12.419 1.882 1.00 30.42 H new ATOM 0 HG3 ARG A 38 -26.682 -10.916 2.464 1.00 30.42 H new ATOM 0 HD2 ARG A 38 -25.177 -9.678 0.856 1.00 2.05 H new ATOM 0 HD3 ARG A 38 -24.665 -11.226 0.214 1.00 2.05 H new ATOM 0 HE ARG A 38 -27.494 -11.245 0.169 1.00 63.44 H new ATOM 0 HH11 ARG A 38 -24.798 -9.630 -1.478 1.00 1.02 H new ATOM 0 HH12 ARG A 38 -25.786 -9.172 -2.870 1.00 1.02 H new ATOM 0 HH21 ARG A 38 -28.735 -10.610 -1.608 1.00 2.43 H new ATOM 0 HH22 ARG A 38 -27.988 -9.722 -2.941 1.00 2.43 H new ATOM 447 N THR A 39 -22.067 -9.619 2.599 1.00 73.14 N ATOM 448 CA THR A 39 -20.977 -9.024 1.878 1.00 64.45 C ATOM 449 C THR A 39 -20.524 -9.904 0.705 1.00 34.33 C ATOM 450 O THR A 39 -20.288 -11.103 0.877 1.00 21.44 O ATOM 451 CB THR A 39 -19.790 -8.821 2.840 1.00 13.43 C ATOM 452 OG1 THR A 39 -20.249 -8.106 3.980 1.00 60.13 O ATOM 453 CG2 THR A 39 -18.674 -8.020 2.185 1.00 65.55 C ATOM 0 H THR A 39 -21.812 -10.463 3.112 1.00 73.14 H new ATOM 0 HA THR A 39 -21.318 -8.070 1.475 1.00 64.45 H new ATOM 0 HB THR A 39 -19.398 -9.800 3.116 1.00 13.43 H new ATOM 0 HG1 THR A 39 -19.547 -7.495 4.287 1.00 60.13 H new ATOM 0 HG21 THR A 39 -17.853 -7.895 2.891 1.00 65.55 H new ATOM 0 HG22 THR A 39 -18.316 -8.549 1.302 1.00 65.55 H new ATOM 0 HG23 THR A 39 -19.053 -7.041 1.892 1.00 65.55 H new ATOM 461 N PRO A 40 -20.431 -9.320 -0.504 1.00 24.53 N ATOM 462 CA PRO A 40 -19.880 -9.990 -1.684 1.00 1.33 C ATOM 463 C PRO A 40 -18.416 -10.382 -1.471 1.00 33.21 C ATOM 464 O PRO A 40 -17.720 -9.775 -0.642 1.00 70.00 O ATOM 465 CB PRO A 40 -19.988 -8.938 -2.793 1.00 40.01 C ATOM 466 CG PRO A 40 -21.029 -7.999 -2.317 1.00 61.03 C ATOM 467 CD PRO A 40 -20.879 -7.954 -0.829 1.00 62.03 C ATOM 0 HA PRO A 40 -20.411 -10.914 -1.914 1.00 1.33 H new ATOM 0 HB2 PRO A 40 -19.037 -8.429 -2.950 1.00 40.01 H new ATOM 0 HB3 PRO A 40 -20.268 -9.392 -3.744 1.00 40.01 H new ATOM 0 HG2 PRO A 40 -20.895 -7.010 -2.755 1.00 61.03 H new ATOM 0 HG3 PRO A 40 -22.024 -8.341 -2.601 1.00 61.03 H new ATOM 0 HD2 PRO A 40 -20.151 -7.205 -0.518 1.00 62.03 H new ATOM 0 HD3 PRO A 40 -21.819 -7.708 -0.335 1.00 62.03 H new ATOM 475 N GLU A 41 -17.985 -11.414 -2.164 1.00 64.45 N ATOM 476 CA GLU A 41 -16.610 -11.896 -2.105 1.00 11.44 C ATOM 477 C GLU A 41 -15.656 -10.749 -2.464 1.00 34.35 C ATOM 478 O GLU A 41 -15.789 -10.132 -3.527 1.00 50.40 O ATOM 479 CB GLU A 41 -16.439 -13.048 -3.096 1.00 24.12 C ATOM 480 CG GLU A 41 -15.055 -13.666 -3.122 1.00 32.34 C ATOM 481 CD GLU A 41 -14.938 -14.743 -4.159 1.00 52.42 C ATOM 482 OE1 GLU A 41 -15.289 -15.909 -3.865 1.00 3.30 O ATOM 483 OE2 GLU A 41 -14.500 -14.447 -5.294 1.00 54.11 O ATOM 0 H GLU A 41 -18.581 -11.952 -2.793 1.00 64.45 H new ATOM 0 HA GLU A 41 -16.382 -12.250 -1.100 1.00 11.44 H new ATOM 0 HB2 GLU A 41 -17.164 -13.826 -2.856 1.00 24.12 H new ATOM 0 HB3 GLU A 41 -16.679 -12.687 -4.096 1.00 24.12 H new ATOM 0 HG2 GLU A 41 -14.316 -12.890 -3.321 1.00 32.34 H new ATOM 0 HG3 GLU A 41 -14.825 -14.081 -2.141 1.00 32.34 H new ATOM 490 N ILE A 42 -14.726 -10.456 -1.577 1.00 70.30 N ATOM 491 CA ILE A 42 -13.825 -9.333 -1.769 1.00 75.30 C ATOM 492 C ILE A 42 -12.449 -9.824 -2.177 1.00 54.40 C ATOM 493 O ILE A 42 -11.924 -10.799 -1.616 1.00 13.12 O ATOM 494 CB ILE A 42 -13.661 -8.510 -0.464 1.00 13.24 C ATOM 495 CG1 ILE A 42 -15.019 -8.170 0.137 1.00 64.14 C ATOM 496 CG2 ILE A 42 -12.887 -7.231 -0.750 1.00 42.44 C ATOM 497 CD1 ILE A 42 -14.945 -7.391 1.435 1.00 72.30 C ATOM 0 H ILE A 42 -14.573 -10.979 -0.715 1.00 70.30 H new ATOM 0 HA ILE A 42 -14.259 -8.706 -2.548 1.00 75.30 H new ATOM 0 HB ILE A 42 -13.107 -9.114 0.255 1.00 13.24 H new ATOM 0 HG12 ILE A 42 -15.591 -7.592 -0.589 1.00 64.14 H new ATOM 0 HG13 ILE A 42 -15.569 -9.095 0.312 1.00 64.14 H new ATOM 0 HG21 ILE A 42 -12.776 -6.659 0.171 1.00 42.44 H new ATOM 0 HG22 ILE A 42 -11.901 -7.482 -1.142 1.00 42.44 H new ATOM 0 HG23 ILE A 42 -13.428 -6.635 -1.484 1.00 42.44 H new ATOM 0 HD11 ILE A 42 -15.953 -7.189 1.796 1.00 72.30 H new ATOM 0 HD12 ILE A 42 -14.403 -7.974 2.179 1.00 72.30 H new ATOM 0 HD13 ILE A 42 -14.426 -6.448 1.264 1.00 72.30 H new ATOM 509 N VAL A 43 -11.885 -9.174 -3.139 1.00 14.43 N ATOM 510 CA VAL A 43 -10.552 -9.474 -3.584 1.00 62.43 C ATOM 511 C VAL A 43 -9.732 -8.187 -3.673 1.00 32.32 C ATOM 512 O VAL A 43 -10.284 -7.112 -3.939 1.00 44.45 O ATOM 513 CB VAL A 43 -10.547 -10.214 -4.949 1.00 25.31 C ATOM 514 CG1 VAL A 43 -11.105 -9.336 -6.059 1.00 1.50 C ATOM 515 CG2 VAL A 43 -9.155 -10.728 -5.288 1.00 13.44 C ATOM 0 H VAL A 43 -12.334 -8.412 -3.647 1.00 14.43 H new ATOM 0 HA VAL A 43 -10.100 -10.143 -2.852 1.00 62.43 H new ATOM 0 HB VAL A 43 -11.205 -11.079 -4.861 1.00 25.31 H new ATOM 0 HG11 VAL A 43 -11.087 -9.885 -7.001 1.00 1.50 H new ATOM 0 HG12 VAL A 43 -12.131 -9.057 -5.821 1.00 1.50 H new ATOM 0 HG13 VAL A 43 -10.497 -8.436 -6.152 1.00 1.50 H new ATOM 0 HG21 VAL A 43 -9.181 -11.242 -6.249 1.00 13.44 H new ATOM 0 HG22 VAL A 43 -8.461 -9.889 -5.344 1.00 13.44 H new ATOM 0 HG23 VAL A 43 -8.825 -11.421 -4.514 1.00 13.44 H new ATOM 525 N SER A 44 -8.453 -8.282 -3.420 1.00 63.10 N ATOM 526 CA SER A 44 -7.575 -7.152 -3.558 1.00 21.34 C ATOM 527 C SER A 44 -7.317 -6.917 -5.041 1.00 13.01 C ATOM 528 O SER A 44 -6.954 -7.841 -5.768 1.00 3.30 O ATOM 529 CB SER A 44 -6.265 -7.438 -2.829 1.00 42.32 C ATOM 530 OG SER A 44 -6.502 -7.661 -1.442 1.00 11.42 O ATOM 0 H SER A 44 -7.994 -9.140 -3.114 1.00 63.10 H new ATOM 0 HA SER A 44 -8.028 -6.261 -3.123 1.00 21.34 H new ATOM 0 HB2 SER A 44 -5.782 -8.312 -3.266 1.00 42.32 H new ATOM 0 HB3 SER A 44 -5.581 -6.599 -2.956 1.00 42.32 H new ATOM 0 HG SER A 44 -5.652 -7.845 -0.990 1.00 11.42 H new ATOM 536 N ALA A 45 -7.551 -5.717 -5.495 1.00 22.31 N ATOM 537 CA ALA A 45 -7.365 -5.388 -6.887 1.00 44.40 C ATOM 538 C ALA A 45 -6.730 -4.043 -7.061 1.00 3.35 C ATOM 539 O ALA A 45 -6.784 -3.183 -6.174 1.00 64.43 O ATOM 540 CB ALA A 45 -8.680 -5.434 -7.615 1.00 53.32 C ATOM 0 H ALA A 45 -7.874 -4.941 -4.917 1.00 22.31 H new ATOM 0 HA ALA A 45 -6.691 -6.132 -7.311 1.00 44.40 H new ATOM 0 HB1 ALA A 45 -8.524 -5.184 -8.664 1.00 53.32 H new ATOM 0 HB2 ALA A 45 -9.103 -6.436 -7.540 1.00 53.32 H new ATOM 0 HB3 ALA A 45 -9.368 -4.716 -7.169 1.00 53.32 H new ATOM 546 N THR A 46 -6.128 -3.877 -8.189 1.00 71.35 N ATOM 547 CA THR A 46 -5.487 -2.670 -8.565 1.00 61.11 C ATOM 548 C THR A 46 -6.228 -2.076 -9.750 1.00 25.03 C ATOM 549 O THR A 46 -6.443 -2.747 -10.745 1.00 23.23 O ATOM 550 CB THR A 46 -4.040 -2.960 -8.986 1.00 54.05 C ATOM 551 OG1 THR A 46 -3.374 -3.673 -7.931 1.00 73.33 O ATOM 552 CG2 THR A 46 -3.284 -1.666 -9.273 1.00 61.05 C ATOM 0 H THR A 46 -6.068 -4.607 -8.899 1.00 71.35 H new ATOM 0 HA THR A 46 -5.490 -1.978 -7.723 1.00 61.11 H new ATOM 0 HB THR A 46 -4.058 -3.560 -9.896 1.00 54.05 H new ATOM 0 HG1 THR A 46 -2.450 -3.861 -8.196 1.00 73.33 H new ATOM 0 HG21 THR A 46 -2.261 -1.900 -9.569 1.00 61.05 H new ATOM 0 HG22 THR A 46 -3.781 -1.126 -10.079 1.00 61.05 H new ATOM 0 HG23 THR A 46 -3.269 -1.047 -8.376 1.00 61.05 H new ATOM 560 N LEU A 47 -6.640 -0.861 -9.617 1.00 70.43 N ATOM 561 CA LEU A 47 -7.289 -0.142 -10.672 1.00 41.23 C ATOM 562 C LEU A 47 -6.274 0.787 -11.343 1.00 73.34 C ATOM 563 O LEU A 47 -5.912 1.818 -10.784 1.00 1.03 O ATOM 564 CB LEU A 47 -8.473 0.654 -10.096 1.00 61.15 C ATOM 565 CG LEU A 47 -9.221 1.573 -11.056 1.00 50.34 C ATOM 566 CD1 LEU A 47 -9.764 0.807 -12.236 1.00 72.13 C ATOM 567 CD2 LEU A 47 -10.347 2.295 -10.335 1.00 22.21 C ATOM 0 H LEU A 47 -6.535 -0.324 -8.756 1.00 70.43 H new ATOM 0 HA LEU A 47 -7.675 -0.834 -11.420 1.00 41.23 H new ATOM 0 HB2 LEU A 47 -9.188 -0.056 -9.680 1.00 61.15 H new ATOM 0 HB3 LEU A 47 -8.104 1.258 -9.267 1.00 61.15 H new ATOM 0 HG LEU A 47 -8.511 2.311 -11.430 1.00 50.34 H new ATOM 0 HD11 LEU A 47 -10.292 1.490 -12.902 1.00 72.13 H new ATOM 0 HD12 LEU A 47 -8.941 0.338 -12.775 1.00 72.13 H new ATOM 0 HD13 LEU A 47 -10.452 0.038 -11.885 1.00 72.13 H new ATOM 0 HD21 LEU A 47 -10.869 2.946 -11.036 1.00 22.21 H new ATOM 0 HD22 LEU A 47 -11.046 1.564 -9.928 1.00 22.21 H new ATOM 0 HD23 LEU A 47 -9.934 2.893 -9.523 1.00 22.21 H new ATOM 579 N PRO A 48 -5.757 0.406 -12.511 1.00 24.33 N ATOM 580 CA PRO A 48 -4.790 1.212 -13.226 1.00 14.41 C ATOM 581 C PRO A 48 -5.454 2.338 -14.019 1.00 74.00 C ATOM 582 O PRO A 48 -6.545 2.163 -14.593 1.00 22.44 O ATOM 583 CB PRO A 48 -4.117 0.206 -14.162 1.00 62.41 C ATOM 584 CG PRO A 48 -5.164 -0.820 -14.437 1.00 41.31 C ATOM 585 CD PRO A 48 -6.065 -0.852 -13.229 1.00 32.24 C ATOM 0 HA PRO A 48 -4.093 1.715 -12.556 1.00 14.41 H new ATOM 0 HB2 PRO A 48 -3.782 0.685 -15.082 1.00 62.41 H new ATOM 0 HB3 PRO A 48 -3.238 -0.241 -13.697 1.00 62.41 H new ATOM 0 HG2 PRO A 48 -5.728 -0.566 -15.334 1.00 41.31 H new ATOM 0 HG3 PRO A 48 -4.713 -1.797 -14.610 1.00 41.31 H new ATOM 0 HD2 PRO A 48 -7.115 -0.899 -13.517 1.00 32.24 H new ATOM 0 HD3 PRO A 48 -5.866 -1.724 -12.607 1.00 32.24 H new ATOM 593 N GLY A 49 -4.815 3.491 -14.025 1.00 13.51 N ATOM 594 CA GLY A 49 -5.325 4.618 -14.766 1.00 72.22 C ATOM 595 C GLY A 49 -6.233 5.491 -13.934 1.00 15.45 C ATOM 596 O GLY A 49 -6.946 6.345 -14.461 1.00 72.43 O ATOM 0 H GLY A 49 -3.944 3.668 -13.525 1.00 13.51 H new ATOM 0 HA2 GLY A 49 -4.491 5.214 -15.135 1.00 72.22 H new ATOM 0 HA3 GLY A 49 -5.871 4.259 -15.639 1.00 72.22 H new ATOM 600 N PHE A 50 -6.202 5.293 -12.636 1.00 71.11 N ATOM 601 CA PHE A 50 -7.028 6.044 -11.718 1.00 14.31 C ATOM 602 C PHE A 50 -6.246 6.368 -10.488 1.00 21.44 C ATOM 603 O PHE A 50 -5.224 5.769 -10.238 1.00 54.43 O ATOM 604 CB PHE A 50 -8.329 5.290 -11.354 1.00 11.13 C ATOM 605 CG PHE A 50 -9.341 5.206 -12.475 1.00 72.32 C ATOM 606 CD1 PHE A 50 -9.256 4.228 -13.454 1.00 73.31 C ATOM 607 CD2 PHE A 50 -10.376 6.119 -12.544 1.00 23.43 C ATOM 608 CE1 PHE A 50 -10.178 4.171 -14.476 1.00 4.43 C ATOM 609 CE2 PHE A 50 -11.303 6.069 -13.564 1.00 44.00 C ATOM 610 CZ PHE A 50 -11.205 5.095 -14.533 1.00 50.44 C ATOM 0 H PHE A 50 -5.601 4.604 -12.185 1.00 71.11 H new ATOM 0 HA PHE A 50 -7.325 6.968 -12.214 1.00 14.31 H new ATOM 0 HB2 PHE A 50 -8.072 4.279 -11.038 1.00 11.13 H new ATOM 0 HB3 PHE A 50 -8.793 5.783 -10.499 1.00 11.13 H new ATOM 0 HD1 PHE A 50 -8.457 3.502 -13.415 1.00 73.31 H new ATOM 0 HD2 PHE A 50 -10.460 6.884 -11.787 1.00 23.43 H new ATOM 0 HE1 PHE A 50 -10.099 3.405 -15.233 1.00 4.43 H new ATOM 0 HE2 PHE A 50 -12.104 6.792 -13.603 1.00 44.00 H new ATOM 0 HZ PHE A 50 -11.928 5.053 -15.334 1.00 50.44 H new ATOM 620 N GLN A 51 -6.722 7.301 -9.734 1.00 14.35 N ATOM 621 CA GLN A 51 -6.071 7.728 -8.527 1.00 74.34 C ATOM 622 C GLN A 51 -7.109 7.985 -7.471 1.00 14.51 C ATOM 623 O GLN A 51 -8.309 8.070 -7.770 1.00 3.25 O ATOM 624 CB GLN A 51 -5.241 8.961 -8.796 1.00 64.43 C ATOM 625 CG GLN A 51 -6.056 10.083 -9.325 1.00 52.52 C ATOM 626 CD GLN A 51 -5.217 11.254 -9.808 1.00 41.54 C ATOM 627 OE1 GLN A 51 -4.124 11.506 -9.306 1.00 60.01 O ATOM 628 NE2 GLN A 51 -5.710 11.966 -10.791 1.00 14.43 N ATOM 0 H GLN A 51 -7.588 7.801 -9.936 1.00 14.35 H new ATOM 0 HA GLN A 51 -5.399 6.948 -8.170 1.00 74.34 H new ATOM 0 HB2 GLN A 51 -4.750 9.274 -7.875 1.00 64.43 H new ATOM 0 HB3 GLN A 51 -4.454 8.718 -9.510 1.00 64.43 H new ATOM 0 HG2 GLN A 51 -6.671 9.720 -10.149 1.00 52.52 H new ATOM 0 HG3 GLN A 51 -6.737 10.428 -8.547 1.00 52.52 H new ATOM 0 HE21 GLN A 51 -6.621 11.730 -11.185 1.00 14.43 H new ATOM 0 HE22 GLN A 51 -5.183 12.757 -11.162 1.00 14.43 H new ATOM 637 N ARG A 52 -6.662 8.108 -6.270 1.00 63.33 N ATOM 638 CA ARG A 52 -7.535 8.230 -5.130 1.00 24.21 C ATOM 639 C ARG A 52 -7.182 9.427 -4.282 1.00 74.31 C ATOM 640 O ARG A 52 -6.027 9.613 -3.877 1.00 4.51 O ATOM 641 CB ARG A 52 -7.518 6.937 -4.290 1.00 14.44 C ATOM 642 CG ARG A 52 -6.121 6.451 -3.952 1.00 12.42 C ATOM 643 CD ARG A 52 -6.124 5.230 -3.050 1.00 43.43 C ATOM 644 NE ARG A 52 -4.766 4.727 -2.886 1.00 62.33 N ATOM 645 CZ ARG A 52 -4.210 4.319 -1.753 1.00 53.44 C ATOM 646 NH1 ARG A 52 -4.930 4.192 -0.635 1.00 52.42 N ATOM 647 NH2 ARG A 52 -2.934 4.000 -1.740 1.00 61.10 N ATOM 0 H ARG A 52 -5.669 8.128 -6.037 1.00 63.33 H new ATOM 0 HA ARG A 52 -8.547 8.384 -5.505 1.00 24.21 H new ATOM 0 HB2 ARG A 52 -8.068 7.108 -3.365 1.00 14.44 H new ATOM 0 HB3 ARG A 52 -8.045 6.153 -4.834 1.00 14.44 H new ATOM 0 HG2 ARG A 52 -5.591 6.214 -4.874 1.00 12.42 H new ATOM 0 HG3 ARG A 52 -5.570 7.255 -3.465 1.00 12.42 H new ATOM 0 HD2 ARG A 52 -6.545 5.487 -2.078 1.00 43.43 H new ATOM 0 HD3 ARG A 52 -6.759 4.454 -3.477 1.00 43.43 H new ATOM 0 HE ARG A 52 -4.187 4.685 -3.724 1.00 62.33 H new ATOM 0 HH11 ARG A 52 -5.926 4.410 -0.642 1.00 52.42 H new ATOM 0 HH12 ARG A 52 -4.483 3.877 0.226 1.00 52.42 H new ATOM 0 HH21 ARG A 52 -2.383 4.068 -2.595 1.00 61.10 H new ATOM 0 HH22 ARG A 52 -2.496 3.685 -0.874 1.00 61.10 H new ATOM 661 N PHE A 53 -8.161 10.215 -4.010 1.00 51.22 N ATOM 662 CA PHE A 53 -8.000 11.389 -3.212 1.00 71.51 C ATOM 663 C PHE A 53 -8.657 11.200 -1.876 1.00 31.35 C ATOM 664 O PHE A 53 -9.445 10.266 -1.693 1.00 30.32 O ATOM 665 CB PHE A 53 -8.466 12.642 -3.949 1.00 73.44 C ATOM 666 CG PHE A 53 -7.508 13.075 -5.025 1.00 12.42 C ATOM 667 CD1 PHE A 53 -7.284 12.294 -6.139 1.00 44.31 C ATOM 668 CD2 PHE A 53 -6.815 14.262 -4.901 1.00 71.54 C ATOM 669 CE1 PHE A 53 -6.392 12.685 -7.103 1.00 42.13 C ATOM 670 CE2 PHE A 53 -5.921 14.662 -5.866 1.00 45.33 C ATOM 671 CZ PHE A 53 -5.707 13.871 -6.971 1.00 43.22 C ATOM 0 H PHE A 53 -9.115 10.064 -4.339 1.00 51.22 H new ATOM 0 HA PHE A 53 -6.938 11.546 -3.024 1.00 71.51 H new ATOM 0 HB2 PHE A 53 -9.444 12.454 -4.393 1.00 73.44 H new ATOM 0 HB3 PHE A 53 -8.592 13.454 -3.233 1.00 73.44 H new ATOM 0 HD1 PHE A 53 -7.818 11.362 -6.253 1.00 44.31 H new ATOM 0 HD2 PHE A 53 -6.977 14.885 -4.034 1.00 71.54 H new ATOM 0 HE1 PHE A 53 -6.226 12.061 -7.969 1.00 42.13 H new ATOM 0 HE2 PHE A 53 -5.388 15.595 -5.757 1.00 45.33 H new ATOM 0 HZ PHE A 53 -5.005 14.179 -7.731 1.00 43.22 H new ATOM 681 N ARG A 54 -8.330 12.057 -0.950 1.00 21.21 N ATOM 682 CA ARG A 54 -8.684 11.889 0.444 1.00 60.34 C ATOM 683 C ARG A 54 -8.857 13.224 1.075 1.00 42.02 C ATOM 684 O ARG A 54 -8.246 14.188 0.650 1.00 22.12 O ATOM 685 CB ARG A 54 -7.534 11.167 1.139 1.00 61.01 C ATOM 686 CG ARG A 54 -7.364 9.724 0.723 1.00 45.12 C ATOM 687 CD ARG A 54 -5.934 9.288 0.828 1.00 11.52 C ATOM 688 NE ARG A 54 -5.060 9.993 -0.114 1.00 51.14 N ATOM 689 CZ ARG A 54 -4.130 9.429 -0.907 1.00 52.30 C ATOM 690 NH1 ARG A 54 -3.979 8.105 -0.952 1.00 1.02 N ATOM 691 NH2 ARG A 54 -3.359 10.193 -1.653 1.00 10.34 N ATOM 0 H ARG A 54 -7.801 12.908 -1.139 1.00 21.21 H new ATOM 0 HA ARG A 54 -9.610 11.321 0.531 1.00 60.34 H new ATOM 0 HB2 ARG A 54 -6.607 11.703 0.935 1.00 61.01 H new ATOM 0 HB3 ARG A 54 -7.694 11.206 2.216 1.00 61.01 H new ATOM 0 HG2 ARG A 54 -7.987 9.087 1.351 1.00 45.12 H new ATOM 0 HG3 ARG A 54 -7.710 9.597 -0.303 1.00 45.12 H new ATOM 0 HD2 ARG A 54 -5.580 9.459 1.845 1.00 11.52 H new ATOM 0 HD3 ARG A 54 -5.870 8.215 0.644 1.00 11.52 H new ATOM 0 HE ARG A 54 -5.166 11.006 -0.174 1.00 51.14 H new ATOM 0 HH11 ARG A 54 -4.573 7.504 -0.380 1.00 1.02 H new ATOM 0 HH12 ARG A 54 -3.270 7.693 -1.558 1.00 1.02 H new ATOM 0 HH21 ARG A 54 -3.468 11.207 -1.628 1.00 10.34 H new ATOM 0 HH22 ARG A 54 -2.653 9.771 -2.256 1.00 10.34 H new ATOM 705 N LEU A 55 -9.657 13.285 2.082 1.00 61.42 N ATOM 706 CA LEU A 55 -9.894 14.506 2.775 1.00 25.30 C ATOM 707 C LEU A 55 -10.428 14.103 4.138 1.00 41.44 C ATOM 708 O LEU A 55 -11.133 13.098 4.246 1.00 65.23 O ATOM 709 CB LEU A 55 -10.925 15.354 1.955 1.00 24.14 C ATOM 710 CG LEU A 55 -11.076 16.867 2.267 1.00 22.32 C ATOM 711 CD1 LEU A 55 -11.627 17.142 3.652 1.00 63.20 C ATOM 712 CD2 LEU A 55 -9.751 17.582 2.055 1.00 11.42 C ATOM 0 H LEU A 55 -10.170 12.484 2.452 1.00 61.42 H new ATOM 0 HA LEU A 55 -9.002 15.121 2.894 1.00 25.30 H new ATOM 0 HB2 LEU A 55 -10.663 15.260 0.901 1.00 24.14 H new ATOM 0 HB3 LEU A 55 -11.904 14.893 2.082 1.00 24.14 H new ATOM 0 HG LEU A 55 -11.814 17.261 1.568 1.00 22.32 H new ATOM 0 HD11 LEU A 55 -11.707 18.218 3.805 1.00 63.20 H new ATOM 0 HD12 LEU A 55 -12.613 16.688 3.748 1.00 63.20 H new ATOM 0 HD13 LEU A 55 -10.958 16.718 4.401 1.00 63.20 H new ATOM 0 HD21 LEU A 55 -9.870 18.642 2.277 1.00 11.42 H new ATOM 0 HD22 LEU A 55 -8.997 17.155 2.717 1.00 11.42 H new ATOM 0 HD23 LEU A 55 -9.434 17.462 1.019 1.00 11.42 H new ATOM 724 N LYS A 56 -10.060 14.805 5.170 1.00 74.22 N ATOM 725 CA LYS A 56 -10.570 14.485 6.475 1.00 40.10 C ATOM 726 C LYS A 56 -11.445 15.599 7.018 1.00 4.22 C ATOM 727 O LYS A 56 -10.994 16.469 7.762 1.00 51.21 O ATOM 728 CB LYS A 56 -9.490 13.973 7.499 1.00 32.24 C ATOM 729 CG LYS A 56 -8.247 14.861 7.737 1.00 45.43 C ATOM 730 CD LYS A 56 -7.276 14.872 6.549 1.00 40.50 C ATOM 731 CE LYS A 56 -6.081 15.776 6.828 1.00 2.25 C ATOM 732 NZ LYS A 56 -5.146 15.866 5.677 1.00 42.35 N ATOM 0 H LYS A 56 -9.416 15.595 5.137 1.00 74.22 H new ATOM 0 HA LYS A 56 -11.210 13.614 6.336 1.00 40.10 H new ATOM 0 HB2 LYS A 56 -9.983 13.822 8.459 1.00 32.24 H new ATOM 0 HB3 LYS A 56 -9.144 12.996 7.161 1.00 32.24 H new ATOM 0 HG2 LYS A 56 -8.571 15.881 7.942 1.00 45.43 H new ATOM 0 HG3 LYS A 56 -7.721 14.509 8.624 1.00 45.43 H new ATOM 0 HD2 LYS A 56 -6.930 13.858 6.348 1.00 40.50 H new ATOM 0 HD3 LYS A 56 -7.795 15.215 5.654 1.00 40.50 H new ATOM 0 HE2 LYS A 56 -6.438 16.775 7.079 1.00 2.25 H new ATOM 0 HE3 LYS A 56 -5.543 15.401 7.699 1.00 2.25 H new ATOM 0 HZ1 LYS A 56 -4.513 16.681 5.807 1.00 42.35 H new ATOM 0 HZ2 LYS A 56 -4.581 14.995 5.620 1.00 42.35 H new ATOM 0 HZ3 LYS A 56 -5.688 15.985 4.798 1.00 42.35 H new ATOM 746 N GLY A 57 -12.692 15.596 6.583 1.00 22.01 N ATOM 747 CA GLY A 57 -13.628 16.611 6.992 1.00 43.20 C ATOM 748 C GLY A 57 -14.932 16.532 6.222 1.00 42.42 C ATOM 749 O GLY A 57 -15.764 15.666 6.496 1.00 3.55 O ATOM 0 H GLY A 57 -13.074 14.898 5.945 1.00 22.01 H new ATOM 0 HA2 GLY A 57 -13.831 16.507 8.058 1.00 43.20 H new ATOM 0 HA3 GLY A 57 -13.181 17.595 6.847 1.00 43.20 H new ATOM 753 N ARG A 58 -15.100 17.414 5.238 1.00 34.33 N ATOM 754 CA ARG A 58 -16.332 17.469 4.453 1.00 1.33 C ATOM 755 C ARG A 58 -16.321 16.388 3.394 1.00 31.53 C ATOM 756 O ARG A 58 -17.344 15.765 3.107 1.00 13.22 O ATOM 757 CB ARG A 58 -16.525 18.901 3.845 1.00 31.43 C ATOM 758 CG ARG A 58 -17.799 19.142 2.990 1.00 54.34 C ATOM 759 CD ARG A 58 -17.731 18.485 1.611 1.00 41.42 C ATOM 760 NE ARG A 58 -18.970 18.631 0.844 1.00 4.52 N ATOM 761 CZ ARG A 58 -19.340 17.809 -0.146 1.00 32.14 C ATOM 762 NH1 ARG A 58 -18.551 16.810 -0.520 1.00 50.15 N ATOM 763 NH2 ARG A 58 -20.495 17.981 -0.772 1.00 33.43 N ATOM 0 H ARG A 58 -14.397 18.101 4.965 1.00 34.33 H new ATOM 0 HA ARG A 58 -17.188 17.279 5.101 1.00 1.33 H new ATOM 0 HB2 ARG A 58 -16.528 19.619 4.665 1.00 31.43 H new ATOM 0 HB3 ARG A 58 -15.656 19.126 3.227 1.00 31.43 H new ATOM 0 HG2 ARG A 58 -18.667 18.758 3.526 1.00 54.34 H new ATOM 0 HG3 ARG A 58 -17.949 20.215 2.867 1.00 54.34 H new ATOM 0 HD2 ARG A 58 -16.908 18.923 1.047 1.00 41.42 H new ATOM 0 HD3 ARG A 58 -17.507 17.425 1.731 1.00 41.42 H new ATOM 0 HE ARG A 58 -19.589 19.407 1.078 1.00 4.52 H new ATOM 0 HH11 ARG A 58 -17.656 16.664 -0.053 1.00 50.15 H new ATOM 0 HH12 ARG A 58 -18.839 16.188 -1.275 1.00 50.15 H new ATOM 0 HH21 ARG A 58 -21.113 18.746 -0.501 1.00 33.43 H new ATOM 0 HH22 ARG A 58 -20.766 17.348 -1.525 1.00 33.43 H new ATOM 777 N LEU A 59 -15.176 16.139 2.846 1.00 10.21 N ATOM 778 CA LEU A 59 -15.066 15.164 1.815 1.00 71.25 C ATOM 779 C LEU A 59 -14.275 13.982 2.322 1.00 32.15 C ATOM 780 O LEU A 59 -13.652 14.050 3.379 1.00 71.24 O ATOM 781 CB LEU A 59 -14.504 15.739 0.497 1.00 62.52 C ATOM 782 CG LEU A 59 -14.509 14.783 -0.705 1.00 50.33 C ATOM 783 CD1 LEU A 59 -15.924 14.327 -1.018 1.00 34.32 C ATOM 784 CD2 LEU A 59 -13.917 15.447 -1.899 1.00 63.14 C ATOM 0 H LEU A 59 -14.302 16.600 3.098 1.00 10.21 H new ATOM 0 HA LEU A 59 -16.070 14.824 1.559 1.00 71.25 H new ATOM 0 HB2 LEU A 59 -15.081 16.626 0.234 1.00 62.52 H new ATOM 0 HB3 LEU A 59 -13.479 16.066 0.673 1.00 62.52 H new ATOM 0 HG LEU A 59 -13.907 13.911 -0.449 1.00 50.33 H new ATOM 0 HD11 LEU A 59 -15.908 13.650 -1.872 1.00 34.32 H new ATOM 0 HD12 LEU A 59 -16.339 13.809 -0.153 1.00 34.32 H new ATOM 0 HD13 LEU A 59 -16.542 15.194 -1.253 1.00 34.32 H new ATOM 0 HD21 LEU A 59 -13.928 14.756 -2.742 1.00 63.14 H new ATOM 0 HD22 LEU A 59 -14.500 16.334 -2.149 1.00 63.14 H new ATOM 0 HD23 LEU A 59 -12.889 15.738 -1.681 1.00 63.14 H new ATOM 796 N TYR A 60 -14.355 12.930 1.597 1.00 62.24 N ATOM 797 CA TYR A 60 -13.870 11.644 1.948 1.00 22.10 C ATOM 798 C TYR A 60 -13.270 10.994 0.703 1.00 14.23 C ATOM 799 O TYR A 60 -13.447 11.543 -0.381 1.00 32.31 O ATOM 800 CB TYR A 60 -15.082 10.851 2.480 1.00 12.51 C ATOM 801 CG TYR A 60 -16.344 11.012 1.627 1.00 13.13 C ATOM 802 CD1 TYR A 60 -17.236 12.058 1.872 1.00 30.43 C ATOM 803 CD2 TYR A 60 -16.643 10.139 0.604 1.00 61.15 C ATOM 804 CE1 TYR A 60 -18.378 12.221 1.127 1.00 22.24 C ATOM 805 CE2 TYR A 60 -17.784 10.293 -0.152 1.00 12.13 C ATOM 806 CZ TYR A 60 -18.654 11.341 0.116 1.00 22.12 C ATOM 807 OH TYR A 60 -19.804 11.506 -0.636 1.00 51.42 O ATOM 0 H TYR A 60 -14.792 12.943 0.676 1.00 62.24 H new ATOM 0 HA TYR A 60 -13.091 11.679 2.709 1.00 22.10 H new ATOM 0 HB2 TYR A 60 -14.820 9.794 2.530 1.00 12.51 H new ATOM 0 HB3 TYR A 60 -15.298 11.174 3.498 1.00 12.51 H new ATOM 0 HD1 TYR A 60 -17.022 12.756 2.668 1.00 30.43 H new ATOM 0 HD2 TYR A 60 -15.972 9.320 0.391 1.00 61.15 H new ATOM 0 HE1 TYR A 60 -19.053 13.037 1.337 1.00 22.24 H new ATOM 0 HE2 TYR A 60 -18.001 9.600 -0.951 1.00 12.13 H new ATOM 0 HH TYR A 60 -19.774 12.372 -1.093 1.00 51.42 H new ATOM 817 N PRO A 61 -12.530 9.845 0.848 1.00 13.11 N ATOM 818 CA PRO A 61 -11.899 9.115 -0.268 1.00 73.52 C ATOM 819 C PRO A 61 -12.728 9.088 -1.557 1.00 74.34 C ATOM 820 O PRO A 61 -13.872 8.608 -1.577 1.00 22.21 O ATOM 821 CB PRO A 61 -11.721 7.681 0.288 1.00 45.13 C ATOM 822 CG PRO A 61 -12.225 7.725 1.705 1.00 12.13 C ATOM 823 CD PRO A 61 -12.222 9.169 2.108 1.00 2.24 C ATOM 0 HA PRO A 61 -10.971 9.603 -0.567 1.00 73.52 H new ATOM 0 HB2 PRO A 61 -12.283 6.959 -0.305 1.00 45.13 H new ATOM 0 HB3 PRO A 61 -10.675 7.376 0.254 1.00 45.13 H new ATOM 0 HG2 PRO A 61 -13.228 7.304 1.774 1.00 12.13 H new ATOM 0 HG3 PRO A 61 -11.586 7.136 2.363 1.00 12.13 H new ATOM 0 HD2 PRO A 61 -12.968 9.379 2.875 1.00 2.24 H new ATOM 0 HD3 PRO A 61 -11.257 9.477 2.509 1.00 2.24 H new ATOM 831 N CYS A 62 -12.146 9.618 -2.600 1.00 52.32 N ATOM 832 CA CYS A 62 -12.760 9.685 -3.901 1.00 31.52 C ATOM 833 C CYS A 62 -11.802 9.154 -4.974 1.00 22.21 C ATOM 834 O CYS A 62 -10.577 9.232 -4.821 1.00 74.15 O ATOM 835 CB CYS A 62 -13.155 11.133 -4.185 1.00 25.51 C ATOM 836 SG CYS A 62 -11.809 12.312 -3.970 1.00 64.54 S ATOM 0 H CYS A 62 -11.211 10.024 -2.569 1.00 52.32 H new ATOM 0 HA CYS A 62 -13.653 9.060 -3.921 1.00 31.52 H new ATOM 0 HB2 CYS A 62 -13.528 11.204 -5.207 1.00 25.51 H new ATOM 0 HB3 CYS A 62 -13.977 11.411 -3.526 1.00 25.51 H new ATOM 0 HG CYS A 62 -11.992 13.328 -4.760 1.00 64.54 H new ATOM 842 N ILE A 63 -12.351 8.588 -6.033 1.00 51.35 N ATOM 843 CA ILE A 63 -11.547 8.049 -7.131 1.00 24.13 C ATOM 844 C ILE A 63 -11.732 8.930 -8.347 1.00 74.01 C ATOM 845 O ILE A 63 -12.817 9.419 -8.575 1.00 32.54 O ATOM 846 CB ILE A 63 -11.995 6.594 -7.508 1.00 25.14 C ATOM 847 CG1 ILE A 63 -11.908 5.659 -6.305 1.00 32.01 C ATOM 848 CG2 ILE A 63 -11.182 6.032 -8.678 1.00 61.05 C ATOM 849 CD1 ILE A 63 -10.525 5.549 -5.700 1.00 53.31 C ATOM 0 H ILE A 63 -13.358 8.486 -6.163 1.00 51.35 H new ATOM 0 HA ILE A 63 -10.505 8.024 -6.811 1.00 24.13 H new ATOM 0 HB ILE A 63 -13.036 6.656 -7.824 1.00 25.14 H new ATOM 0 HG12 ILE A 63 -12.600 6.007 -5.538 1.00 32.01 H new ATOM 0 HG13 ILE A 63 -12.240 4.666 -6.607 1.00 32.01 H new ATOM 0 HG21 ILE A 63 -11.524 5.023 -8.907 1.00 61.05 H new ATOM 0 HG22 ILE A 63 -11.316 6.668 -9.553 1.00 61.05 H new ATOM 0 HG23 ILE A 63 -10.126 6.005 -8.408 1.00 61.05 H new ATOM 0 HD11 ILE A 63 -10.552 4.866 -4.851 1.00 53.31 H new ATOM 0 HD12 ILE A 63 -9.829 5.170 -6.449 1.00 53.31 H new ATOM 0 HD13 ILE A 63 -10.196 6.532 -5.364 1.00 53.31 H new ATOM 861 N VAL A 64 -10.675 9.157 -9.094 1.00 21.55 N ATOM 862 CA VAL A 64 -10.744 9.907 -10.355 1.00 73.11 C ATOM 863 C VAL A 64 -9.712 9.345 -11.327 1.00 71.34 C ATOM 864 O VAL A 64 -8.697 8.798 -10.889 1.00 44.32 O ATOM 865 CB VAL A 64 -10.493 11.455 -10.183 1.00 64.21 C ATOM 866 CG1 VAL A 64 -11.575 12.112 -9.365 1.00 53.12 C ATOM 867 CG2 VAL A 64 -9.136 11.732 -9.561 1.00 0.15 C ATOM 0 H VAL A 64 -9.738 8.832 -8.856 1.00 21.55 H new ATOM 0 HA VAL A 64 -11.759 9.790 -10.735 1.00 73.11 H new ATOM 0 HB VAL A 64 -10.513 11.886 -11.184 1.00 64.21 H new ATOM 0 HG11 VAL A 64 -11.364 13.177 -9.271 1.00 53.12 H new ATOM 0 HG12 VAL A 64 -12.538 11.975 -9.858 1.00 53.12 H new ATOM 0 HG13 VAL A 64 -11.607 11.659 -8.374 1.00 53.12 H new ATOM 0 HG21 VAL A 64 -8.996 12.808 -9.457 1.00 0.15 H new ATOM 0 HG22 VAL A 64 -9.083 11.263 -8.579 1.00 0.15 H new ATOM 0 HG23 VAL A 64 -8.353 11.324 -10.200 1.00 0.15 H new ATOM 877 N PRO A 65 -9.972 9.419 -12.644 1.00 50.54 N ATOM 878 CA PRO A 65 -9.015 8.966 -13.671 1.00 33.13 C ATOM 879 C PRO A 65 -7.675 9.717 -13.590 1.00 65.34 C ATOM 880 O PRO A 65 -7.637 10.943 -13.428 1.00 4.12 O ATOM 881 CB PRO A 65 -9.729 9.258 -14.999 1.00 51.15 C ATOM 882 CG PRO A 65 -10.838 10.195 -14.654 1.00 52.12 C ATOM 883 CD PRO A 65 -11.223 9.902 -13.242 1.00 71.44 C ATOM 0 HA PRO A 65 -8.756 7.914 -13.547 1.00 33.13 H new ATOM 0 HB2 PRO A 65 -9.047 9.706 -15.722 1.00 51.15 H new ATOM 0 HB3 PRO A 65 -10.114 8.342 -15.448 1.00 51.15 H new ATOM 0 HG2 PRO A 65 -10.517 11.231 -14.761 1.00 52.12 H new ATOM 0 HG3 PRO A 65 -11.686 10.054 -15.324 1.00 52.12 H new ATOM 0 HD2 PRO A 65 -11.595 10.792 -12.734 1.00 71.44 H new ATOM 0 HD3 PRO A 65 -12.011 9.151 -13.188 1.00 71.44 H new ATOM 891 N SER A 66 -6.598 8.977 -13.672 1.00 12.13 N ATOM 892 CA SER A 66 -5.276 9.530 -13.568 1.00 72.42 C ATOM 893 C SER A 66 -4.447 9.138 -14.768 1.00 31.43 C ATOM 894 O SER A 66 -4.571 8.015 -15.275 1.00 51.53 O ATOM 895 CB SER A 66 -4.600 9.013 -12.308 1.00 21.13 C ATOM 896 OG SER A 66 -3.323 9.583 -12.129 1.00 62.54 O ATOM 0 H SER A 66 -6.617 7.967 -13.814 1.00 12.13 H new ATOM 0 HA SER A 66 -5.357 10.616 -13.526 1.00 72.42 H new ATOM 0 HB2 SER A 66 -5.223 9.238 -11.442 1.00 21.13 H new ATOM 0 HB3 SER A 66 -4.510 7.928 -12.363 1.00 21.13 H new ATOM 0 HG SER A 66 -2.919 9.229 -11.309 1.00 62.54 H new ATOM 902 N GLU A 67 -3.634 10.047 -15.246 1.00 12.33 N ATOM 903 CA GLU A 67 -2.704 9.728 -16.293 1.00 51.22 C ATOM 904 C GLU A 67 -1.546 8.921 -15.717 1.00 44.54 C ATOM 905 O GLU A 67 -0.987 8.053 -16.380 1.00 10.51 O ATOM 906 CB GLU A 67 -2.205 10.974 -17.023 1.00 55.15 C ATOM 907 CG GLU A 67 -3.314 11.816 -17.630 1.00 32.12 C ATOM 908 CD GLU A 67 -2.784 12.945 -18.475 1.00 3.12 C ATOM 909 OE1 GLU A 67 -2.430 14.009 -17.928 1.00 23.30 O ATOM 910 OE2 GLU A 67 -2.699 12.777 -19.711 1.00 44.45 O ATOM 0 H GLU A 67 -3.600 11.014 -14.924 1.00 12.33 H new ATOM 0 HA GLU A 67 -3.224 9.126 -17.038 1.00 51.22 H new ATOM 0 HB2 GLU A 67 -1.636 11.588 -16.326 1.00 55.15 H new ATOM 0 HB3 GLU A 67 -1.519 10.670 -17.813 1.00 55.15 H new ATOM 0 HG2 GLU A 67 -3.956 11.180 -18.240 1.00 32.12 H new ATOM 0 HG3 GLU A 67 -3.934 12.224 -16.832 1.00 32.12 H new ATOM 917 N LYS A 68 -1.207 9.210 -14.476 1.00 2.00 N ATOM 918 CA LYS A 68 -0.145 8.517 -13.792 1.00 22.43 C ATOM 919 C LYS A 68 -0.515 8.041 -12.393 1.00 24.12 C ATOM 920 O LYS A 68 -0.119 8.614 -11.394 1.00 50.52 O ATOM 921 CB LYS A 68 1.235 9.237 -13.881 1.00 22.14 C ATOM 922 CG LYS A 68 1.206 10.773 -13.778 1.00 43.35 C ATOM 923 CD LYS A 68 0.721 11.328 -12.433 1.00 75.41 C ATOM 924 CE LYS A 68 1.638 10.961 -11.259 1.00 34.34 C ATOM 925 NZ LYS A 68 3.014 11.477 -11.408 1.00 41.12 N ATOM 0 H LYS A 68 -1.663 9.932 -13.918 1.00 2.00 H new ATOM 0 HA LYS A 68 -0.006 7.595 -14.357 1.00 22.43 H new ATOM 0 HB2 LYS A 68 1.875 8.852 -13.087 1.00 22.14 H new ATOM 0 HB3 LYS A 68 1.703 8.965 -14.827 1.00 22.14 H new ATOM 0 HG2 LYS A 68 2.210 11.153 -13.969 1.00 43.35 H new ATOM 0 HG3 LYS A 68 0.562 11.162 -14.567 1.00 43.35 H new ATOM 0 HD2 LYS A 68 0.646 12.413 -12.501 1.00 75.41 H new ATOM 0 HD3 LYS A 68 -0.282 10.952 -12.233 1.00 75.41 H new ATOM 0 HE2 LYS A 68 1.209 11.352 -10.336 1.00 34.34 H new ATOM 0 HE3 LYS A 68 1.673 9.876 -11.160 1.00 34.34 H new ATOM 0 HZ1 LYS A 68 3.553 11.284 -10.540 1.00 41.12 H new ATOM 0 HZ2 LYS A 68 3.475 11.008 -12.214 1.00 41.12 H new ATOM 0 HZ3 LYS A 68 2.984 12.503 -11.575 1.00 41.12 H new ATOM 939 N GLY A 69 -1.329 7.024 -12.332 1.00 23.24 N ATOM 940 CA GLY A 69 -1.702 6.500 -11.047 1.00 32.54 C ATOM 941 C GLY A 69 -2.387 5.168 -11.126 1.00 44.00 C ATOM 942 O GLY A 69 -2.765 4.700 -12.230 1.00 61.22 O ATOM 0 H GLY A 69 -1.739 6.550 -13.137 1.00 23.24 H new ATOM 0 HA2 GLY A 69 -0.810 6.406 -10.428 1.00 32.54 H new ATOM 0 HA3 GLY A 69 -2.362 7.211 -10.550 1.00 32.54 H new ATOM 946 N GLU A 70 -2.533 4.551 -9.986 1.00 63.34 N ATOM 947 CA GLU A 70 -3.224 3.310 -9.844 1.00 22.11 C ATOM 948 C GLU A 70 -3.866 3.291 -8.468 1.00 61.31 C ATOM 949 O GLU A 70 -3.339 3.885 -7.528 1.00 11.40 O ATOM 950 CB GLU A 70 -2.290 2.080 -10.037 1.00 60.25 C ATOM 951 CG GLU A 70 -1.199 1.859 -8.969 1.00 45.01 C ATOM 952 CD GLU A 70 -0.183 2.976 -8.861 1.00 30.43 C ATOM 953 OE1 GLU A 70 0.729 3.042 -9.705 1.00 51.21 O ATOM 954 OE2 GLU A 70 -0.276 3.789 -7.924 1.00 1.32 O ATOM 0 H GLU A 70 -2.162 4.913 -9.108 1.00 63.34 H new ATOM 0 HA GLU A 70 -3.981 3.234 -10.625 1.00 22.11 H new ATOM 0 HB2 GLU A 70 -2.911 1.185 -10.078 1.00 60.25 H new ATOM 0 HB3 GLU A 70 -1.802 2.174 -11.007 1.00 60.25 H new ATOM 0 HG2 GLU A 70 -1.680 1.729 -8.000 1.00 45.01 H new ATOM 0 HG3 GLU A 70 -0.675 0.930 -9.192 1.00 45.01 H new ATOM 961 N VAL A 71 -4.985 2.656 -8.346 1.00 41.41 N ATOM 962 CA VAL A 71 -5.673 2.590 -7.086 1.00 41.13 C ATOM 963 C VAL A 71 -5.695 1.166 -6.597 1.00 51.43 C ATOM 964 O VAL A 71 -6.201 0.286 -7.272 1.00 44.13 O ATOM 965 CB VAL A 71 -7.137 3.111 -7.186 1.00 42.24 C ATOM 966 CG1 VAL A 71 -7.817 3.064 -5.828 1.00 70.22 C ATOM 967 CG2 VAL A 71 -7.181 4.519 -7.742 1.00 54.03 C ATOM 0 H VAL A 71 -5.452 2.168 -9.110 1.00 41.41 H new ATOM 0 HA VAL A 71 -5.134 3.230 -6.388 1.00 41.13 H new ATOM 0 HB VAL A 71 -7.675 2.456 -7.872 1.00 42.24 H new ATOM 0 HG11 VAL A 71 -8.839 3.432 -5.920 1.00 70.22 H new ATOM 0 HG12 VAL A 71 -7.833 2.037 -5.464 1.00 70.22 H new ATOM 0 HG13 VAL A 71 -7.268 3.690 -5.124 1.00 70.22 H new ATOM 0 HG21 VAL A 71 -8.216 4.855 -7.800 1.00 54.03 H new ATOM 0 HG22 VAL A 71 -6.619 5.186 -7.088 1.00 54.03 H new ATOM 0 HG23 VAL A 71 -6.739 4.531 -8.739 1.00 54.03 H new ATOM 977 N HIS A 72 -5.125 0.923 -5.460 1.00 62.13 N ATOM 978 CA HIS A 72 -5.204 -0.393 -4.878 1.00 65.13 C ATOM 979 C HIS A 72 -6.339 -0.415 -3.905 1.00 0.32 C ATOM 980 O HIS A 72 -6.323 0.310 -2.906 1.00 52.24 O ATOM 981 CB HIS A 72 -3.897 -0.814 -4.197 1.00 64.12 C ATOM 982 CG HIS A 72 -2.750 -1.027 -5.139 1.00 31.31 C ATOM 983 ND1 HIS A 72 -2.211 -2.267 -5.396 1.00 62.52 N ATOM 984 CD2 HIS A 72 -2.008 -0.145 -5.849 1.00 71.41 C ATOM 985 CE1 HIS A 72 -1.188 -2.140 -6.213 1.00 1.12 C ATOM 986 NE2 HIS A 72 -1.044 -0.861 -6.503 1.00 71.01 N ATOM 0 H HIS A 72 -4.602 1.608 -4.914 1.00 62.13 H new ATOM 0 HA HIS A 72 -5.376 -1.114 -5.677 1.00 65.13 H new ATOM 0 HB2 HIS A 72 -3.618 -0.051 -3.470 1.00 64.12 H new ATOM 0 HB3 HIS A 72 -4.071 -1.735 -3.641 1.00 64.12 H new ATOM 0 HD1 HIS A 72 -2.552 -3.148 -5.012 1.00 62.52 H new ATOM 0 HD2 HIS A 72 -2.151 0.925 -5.891 1.00 71.41 H new ATOM 0 HE1 HIS A 72 -0.571 -2.945 -6.583 1.00 1.12 H new ATOM 995 N GLY A 73 -7.316 -1.218 -4.193 1.00 52.21 N ATOM 996 CA GLY A 73 -8.467 -1.284 -3.367 1.00 41.33 C ATOM 997 C GLY A 73 -8.994 -2.675 -3.285 1.00 11.31 C ATOM 998 O GLY A 73 -8.218 -3.647 -3.296 1.00 42.14 O ATOM 0 H GLY A 73 -7.333 -1.839 -5.002 1.00 52.21 H new ATOM 0 HA2 GLY A 73 -8.221 -0.926 -2.367 1.00 41.33 H new ATOM 0 HA3 GLY A 73 -9.239 -0.623 -3.761 1.00 41.33 H new ATOM 1002 N LYS A 74 -10.290 -2.793 -3.232 1.00 70.43 N ATOM 1003 CA LYS A 74 -10.938 -4.068 -3.072 1.00 64.30 C ATOM 1004 C LYS A 74 -12.087 -4.180 -4.054 1.00 44.04 C ATOM 1005 O LYS A 74 -12.729 -3.185 -4.368 1.00 74.51 O ATOM 1006 CB LYS A 74 -11.493 -4.186 -1.641 1.00 34.31 C ATOM 1007 CG LYS A 74 -10.462 -4.053 -0.521 1.00 54.24 C ATOM 1008 CD LYS A 74 -9.429 -5.167 -0.552 1.00 45.11 C ATOM 1009 CE LYS A 74 -8.396 -4.975 0.543 1.00 22.11 C ATOM 1010 NZ LYS A 74 -7.403 -6.065 0.565 1.00 31.21 N ATOM 0 H LYS A 74 -10.933 -2.004 -3.299 1.00 70.43 H new ATOM 0 HA LYS A 74 -10.215 -4.863 -3.256 1.00 64.30 H new ATOM 0 HB2 LYS A 74 -12.256 -3.420 -1.502 1.00 34.31 H new ATOM 0 HB3 LYS A 74 -11.989 -5.151 -1.541 1.00 34.31 H new ATOM 0 HG2 LYS A 74 -9.958 -3.091 -0.607 1.00 54.24 H new ATOM 0 HG3 LYS A 74 -10.972 -4.061 0.442 1.00 54.24 H new ATOM 0 HD2 LYS A 74 -9.923 -6.131 -0.427 1.00 45.11 H new ATOM 0 HD3 LYS A 74 -8.936 -5.185 -1.524 1.00 45.11 H new ATOM 0 HE2 LYS A 74 -7.886 -4.023 0.397 1.00 22.11 H new ATOM 0 HE3 LYS A 74 -8.898 -4.923 1.509 1.00 22.11 H new ATOM 0 HZ1 LYS A 74 -6.509 -5.712 0.962 1.00 31.21 H new ATOM 0 HZ2 LYS A 74 -7.758 -6.847 1.152 1.00 31.21 H new ATOM 0 HZ3 LYS A 74 -7.240 -6.406 -0.404 1.00 31.21 H new ATOM 1024 N VAL A 75 -12.318 -5.362 -4.551 1.00 25.04 N ATOM 1025 CA VAL A 75 -13.445 -5.619 -5.406 1.00 1.25 C ATOM 1026 C VAL A 75 -14.471 -6.495 -4.711 1.00 13.21 C ATOM 1027 O VAL A 75 -14.131 -7.535 -4.161 1.00 33.41 O ATOM 1028 CB VAL A 75 -13.008 -6.304 -6.725 1.00 14.24 C ATOM 1029 CG1 VAL A 75 -14.212 -6.812 -7.502 1.00 14.12 C ATOM 1030 CG2 VAL A 75 -12.210 -5.346 -7.577 1.00 11.04 C ATOM 0 H VAL A 75 -11.730 -6.177 -4.375 1.00 25.04 H new ATOM 0 HA VAL A 75 -13.893 -4.653 -5.637 1.00 1.25 H new ATOM 0 HB VAL A 75 -12.381 -7.158 -6.468 1.00 14.24 H new ATOM 0 HG11 VAL A 75 -13.876 -7.288 -8.423 1.00 14.12 H new ATOM 0 HG12 VAL A 75 -14.756 -7.537 -6.897 1.00 14.12 H new ATOM 0 HG13 VAL A 75 -14.868 -5.976 -7.744 1.00 14.12 H new ATOM 0 HG21 VAL A 75 -11.911 -5.843 -8.500 1.00 11.04 H new ATOM 0 HG22 VAL A 75 -12.821 -4.475 -7.815 1.00 11.04 H new ATOM 0 HG23 VAL A 75 -11.322 -5.028 -7.032 1.00 11.04 H new ATOM 1040 N LEU A 76 -15.710 -6.049 -4.743 1.00 3.11 N ATOM 1041 CA LEU A 76 -16.832 -6.798 -4.238 1.00 11.42 C ATOM 1042 C LEU A 76 -17.446 -7.522 -5.414 1.00 14.03 C ATOM 1043 O LEU A 76 -17.991 -6.882 -6.314 1.00 4.20 O ATOM 1044 CB LEU A 76 -17.916 -5.864 -3.657 1.00 63.11 C ATOM 1045 CG LEU A 76 -17.523 -4.922 -2.525 1.00 71.03 C ATOM 1046 CD1 LEU A 76 -18.740 -4.154 -2.037 1.00 14.33 C ATOM 1047 CD2 LEU A 76 -16.883 -5.677 -1.392 1.00 20.13 C ATOM 0 H LEU A 76 -15.965 -5.140 -5.128 1.00 3.11 H new ATOM 0 HA LEU A 76 -16.488 -7.472 -3.453 1.00 11.42 H new ATOM 0 HB2 LEU A 76 -18.306 -5.258 -4.474 1.00 63.11 H new ATOM 0 HB3 LEU A 76 -18.737 -6.487 -3.302 1.00 63.11 H new ATOM 0 HG LEU A 76 -16.791 -4.211 -2.908 1.00 71.03 H new ATOM 0 HD11 LEU A 76 -18.447 -3.484 -1.228 1.00 14.33 H new ATOM 0 HD12 LEU A 76 -19.156 -3.571 -2.859 1.00 14.33 H new ATOM 0 HD13 LEU A 76 -19.491 -4.855 -1.673 1.00 14.33 H new ATOM 0 HD21 LEU A 76 -16.612 -4.981 -0.598 1.00 20.13 H new ATOM 0 HD22 LEU A 76 -17.585 -6.415 -1.004 1.00 20.13 H new ATOM 0 HD23 LEU A 76 -15.987 -6.183 -1.752 1.00 20.13 H new ATOM 1059 N MET A 77 -17.337 -8.812 -5.447 1.00 63.05 N ATOM 1060 CA MET A 77 -17.910 -9.566 -6.537 1.00 52.11 C ATOM 1061 C MET A 77 -18.941 -10.546 -6.057 1.00 14.14 C ATOM 1062 O MET A 77 -18.819 -11.115 -4.973 1.00 12.13 O ATOM 1063 CB MET A 77 -16.841 -10.231 -7.411 1.00 75.31 C ATOM 1064 CG MET A 77 -15.881 -11.144 -6.693 1.00 72.41 C ATOM 1065 SD MET A 77 -14.676 -11.881 -7.827 1.00 54.12 S ATOM 1066 CE MET A 77 -13.962 -10.413 -8.565 1.00 44.22 C ATOM 0 H MET A 77 -16.860 -9.371 -4.739 1.00 63.05 H new ATOM 0 HA MET A 77 -18.427 -8.850 -7.176 1.00 52.11 H new ATOM 0 HB2 MET A 77 -17.342 -10.803 -8.192 1.00 75.31 H new ATOM 0 HB3 MET A 77 -16.267 -9.449 -7.907 1.00 75.31 H new ATOM 0 HG2 MET A 77 -15.356 -10.583 -5.919 1.00 72.41 H new ATOM 0 HG3 MET A 77 -16.438 -11.935 -6.191 1.00 72.41 H new ATOM 0 HE1 MET A 77 -12.994 -10.659 -9.001 1.00 44.22 H new ATOM 0 HE2 MET A 77 -14.626 -10.038 -9.344 1.00 44.22 H new ATOM 0 HE3 MET A 77 -13.832 -9.648 -7.800 1.00 44.22 H new ATOM 1076 N GLY A 78 -19.964 -10.719 -6.851 1.00 44.22 N ATOM 1077 CA GLY A 78 -21.028 -11.599 -6.489 1.00 3.01 C ATOM 1078 C GLY A 78 -22.253 -10.839 -6.036 1.00 24.01 C ATOM 1079 O GLY A 78 -23.079 -11.368 -5.293 1.00 70.51 O ATOM 0 H GLY A 78 -20.078 -10.258 -7.754 1.00 44.22 H new ATOM 0 HA2 GLY A 78 -21.285 -12.229 -7.341 1.00 3.01 H new ATOM 0 HA3 GLY A 78 -20.696 -12.263 -5.691 1.00 3.01 H new ATOM 1083 N VAL A 79 -22.375 -9.600 -6.477 1.00 63.42 N ATOM 1084 CA VAL A 79 -23.511 -8.781 -6.100 1.00 74.31 C ATOM 1085 C VAL A 79 -24.605 -8.868 -7.180 1.00 30.14 C ATOM 1086 O VAL A 79 -24.302 -8.883 -8.380 1.00 63.31 O ATOM 1087 CB VAL A 79 -23.094 -7.290 -5.822 1.00 30.43 C ATOM 1088 CG1 VAL A 79 -22.583 -6.582 -7.055 1.00 13.34 C ATOM 1089 CG2 VAL A 79 -24.217 -6.520 -5.199 1.00 14.03 C ATOM 0 H VAL A 79 -21.704 -9.141 -7.094 1.00 63.42 H new ATOM 0 HA VAL A 79 -23.914 -9.170 -5.165 1.00 74.31 H new ATOM 0 HB VAL A 79 -22.265 -7.333 -5.116 1.00 30.43 H new ATOM 0 HG11 VAL A 79 -22.311 -5.558 -6.800 1.00 13.34 H new ATOM 0 HG12 VAL A 79 -21.707 -7.105 -7.438 1.00 13.34 H new ATOM 0 HG13 VAL A 79 -23.362 -6.572 -7.818 1.00 13.34 H new ATOM 0 HG21 VAL A 79 -23.898 -5.493 -5.019 1.00 14.03 H new ATOM 0 HG22 VAL A 79 -25.075 -6.521 -5.871 1.00 14.03 H new ATOM 0 HG23 VAL A 79 -24.496 -6.985 -4.253 1.00 14.03 H new ATOM 1099 N THR A 80 -25.851 -8.955 -6.766 1.00 63.11 N ATOM 1100 CA THR A 80 -26.948 -9.078 -7.666 1.00 72.31 C ATOM 1101 C THR A 80 -27.281 -7.684 -8.256 1.00 74.03 C ATOM 1102 O THR A 80 -26.859 -6.649 -7.706 1.00 54.33 O ATOM 1103 CB THR A 80 -28.146 -9.614 -6.878 1.00 12.31 C ATOM 1104 OG1 THR A 80 -27.685 -10.642 -5.995 1.00 10.13 O ATOM 1105 CG2 THR A 80 -29.157 -10.214 -7.790 1.00 41.03 C ATOM 0 H THR A 80 -26.120 -8.941 -5.782 1.00 63.11 H new ATOM 0 HA THR A 80 -26.705 -9.757 -8.484 1.00 72.31 H new ATOM 0 HB THR A 80 -28.601 -8.788 -6.331 1.00 12.31 H new ATOM 0 HG1 THR A 80 -27.459 -10.250 -5.126 1.00 10.13 H new ATOM 0 HG21 THR A 80 -29.998 -10.587 -7.206 1.00 41.03 H new ATOM 0 HG22 THR A 80 -29.510 -9.457 -8.491 1.00 41.03 H new ATOM 0 HG23 THR A 80 -28.705 -11.038 -8.343 1.00 41.03 H new ATOM 1113 N SER A 81 -28.009 -7.662 -9.359 1.00 41.12 N ATOM 1114 CA SER A 81 -28.372 -6.421 -10.035 1.00 20.53 C ATOM 1115 C SER A 81 -29.168 -5.450 -9.123 1.00 2.00 C ATOM 1116 O SER A 81 -29.018 -4.231 -9.232 1.00 32.31 O ATOM 1117 CB SER A 81 -29.143 -6.739 -11.311 1.00 24.00 C ATOM 1118 OG SER A 81 -28.374 -7.614 -12.140 1.00 2.12 O ATOM 0 H SER A 81 -28.367 -8.502 -9.814 1.00 41.12 H new ATOM 0 HA SER A 81 -27.449 -5.901 -10.292 1.00 20.53 H new ATOM 0 HB2 SER A 81 -30.097 -7.204 -11.063 1.00 24.00 H new ATOM 0 HB3 SER A 81 -29.368 -5.818 -11.849 1.00 24.00 H new ATOM 0 HG SER A 81 -27.420 -7.480 -11.961 1.00 2.12 H new ATOM 1124 N ASP A 82 -29.975 -5.994 -8.212 1.00 0.33 N ATOM 1125 CA ASP A 82 -30.768 -5.162 -7.290 1.00 73.33 C ATOM 1126 C ASP A 82 -29.897 -4.376 -6.330 1.00 13.44 C ATOM 1127 O ASP A 82 -30.080 -3.156 -6.169 1.00 71.45 O ATOM 1128 CB ASP A 82 -31.823 -5.970 -6.525 1.00 12.21 C ATOM 1129 CG ASP A 82 -32.972 -6.420 -7.393 1.00 72.11 C ATOM 1130 OD1 ASP A 82 -32.887 -7.503 -8.003 1.00 24.32 O ATOM 1131 OD2 ASP A 82 -33.991 -5.687 -7.473 1.00 72.52 O ATOM 0 H ASP A 82 -30.101 -6.999 -8.088 1.00 0.33 H new ATOM 0 HA ASP A 82 -31.297 -4.448 -7.921 1.00 73.33 H new ATOM 0 HB2 ASP A 82 -31.349 -6.844 -6.079 1.00 12.21 H new ATOM 0 HB3 ASP A 82 -32.211 -5.365 -5.705 1.00 12.21 H new ATOM 1136 N GLU A 83 -28.952 -5.049 -5.682 1.00 63.24 N ATOM 1137 CA GLU A 83 -28.037 -4.369 -4.773 1.00 64.20 C ATOM 1138 C GLU A 83 -27.162 -3.398 -5.559 1.00 15.01 C ATOM 1139 O GLU A 83 -26.749 -2.381 -5.036 1.00 65.02 O ATOM 1140 CB GLU A 83 -27.121 -5.334 -3.989 1.00 64.13 C ATOM 1141 CG GLU A 83 -27.797 -6.484 -3.250 1.00 61.54 C ATOM 1142 CD GLU A 83 -28.153 -7.640 -4.148 1.00 44.52 C ATOM 1143 OE1 GLU A 83 -29.196 -7.597 -4.817 1.00 52.23 O ATOM 1144 OE2 GLU A 83 -27.366 -8.630 -4.198 1.00 70.04 O ATOM 0 H GLU A 83 -28.800 -6.054 -5.768 1.00 63.24 H new ATOM 0 HA GLU A 83 -28.658 -3.845 -4.046 1.00 64.20 H new ATOM 0 HB2 GLU A 83 -26.399 -5.758 -4.687 1.00 64.13 H new ATOM 0 HB3 GLU A 83 -26.557 -4.750 -3.262 1.00 64.13 H new ATOM 0 HG2 GLU A 83 -27.136 -6.837 -2.459 1.00 61.54 H new ATOM 0 HG3 GLU A 83 -28.702 -6.115 -2.768 1.00 61.54 H new ATOM 1151 N LEU A 84 -26.900 -3.720 -6.830 1.00 2.24 N ATOM 1152 CA LEU A 84 -26.110 -2.851 -7.712 1.00 61.10 C ATOM 1153 C LEU A 84 -26.809 -1.491 -7.868 1.00 44.04 C ATOM 1154 O LEU A 84 -26.160 -0.438 -7.877 1.00 10.10 O ATOM 1155 CB LEU A 84 -25.937 -3.493 -9.094 1.00 24.43 C ATOM 1156 CG LEU A 84 -25.081 -2.712 -10.101 1.00 10.32 C ATOM 1157 CD1 LEU A 84 -23.621 -2.685 -9.690 1.00 71.42 C ATOM 1158 CD2 LEU A 84 -25.238 -3.266 -11.493 1.00 11.24 C ATOM 0 H LEU A 84 -27.224 -4.579 -7.273 1.00 2.24 H new ATOM 0 HA LEU A 84 -25.127 -2.711 -7.263 1.00 61.10 H new ATOM 0 HB2 LEU A 84 -25.494 -4.480 -8.960 1.00 24.43 H new ATOM 0 HB3 LEU A 84 -26.925 -3.643 -9.528 1.00 24.43 H new ATOM 0 HG LEU A 84 -25.441 -1.683 -10.104 1.00 10.32 H new ATOM 0 HD11 LEU A 84 -23.046 -2.124 -10.426 1.00 71.42 H new ATOM 0 HD12 LEU A 84 -23.526 -2.207 -8.715 1.00 71.42 H new ATOM 0 HD13 LEU A 84 -23.240 -3.705 -9.633 1.00 71.42 H new ATOM 0 HD21 LEU A 84 -24.620 -2.693 -12.184 1.00 11.24 H new ATOM 0 HD22 LEU A 84 -24.925 -4.310 -11.507 1.00 11.24 H new ATOM 0 HD23 LEU A 84 -26.283 -3.196 -11.797 1.00 11.24 H new ATOM 1170 N GLU A 85 -28.136 -1.526 -7.992 1.00 72.20 N ATOM 1171 CA GLU A 85 -28.934 -0.307 -8.089 1.00 41.24 C ATOM 1172 C GLU A 85 -28.904 0.415 -6.755 1.00 33.14 C ATOM 1173 O GLU A 85 -28.862 1.640 -6.691 1.00 75.45 O ATOM 1174 CB GLU A 85 -30.384 -0.623 -8.450 1.00 61.50 C ATOM 1175 CG GLU A 85 -30.558 -1.388 -9.741 1.00 64.34 C ATOM 1176 CD GLU A 85 -32.008 -1.609 -10.076 1.00 21.33 C ATOM 1177 OE1 GLU A 85 -32.649 -2.482 -9.476 1.00 15.30 O ATOM 1178 OE2 GLU A 85 -32.536 -0.898 -10.946 1.00 73.32 O ATOM 0 H GLU A 85 -28.680 -2.388 -8.028 1.00 72.20 H new ATOM 0 HA GLU A 85 -28.510 0.319 -8.874 1.00 41.24 H new ATOM 0 HB2 GLU A 85 -30.829 -1.199 -7.639 1.00 61.50 H new ATOM 0 HB3 GLU A 85 -30.940 0.312 -8.519 1.00 61.50 H new ATOM 0 HG2 GLU A 85 -30.078 -0.842 -10.553 1.00 64.34 H new ATOM 0 HG3 GLU A 85 -30.054 -2.351 -9.662 1.00 64.34 H new ATOM 1185 N ASN A 86 -28.917 -0.367 -5.696 1.00 64.13 N ATOM 1186 CA ASN A 86 -28.866 0.142 -4.331 1.00 45.10 C ATOM 1187 C ASN A 86 -27.533 0.867 -4.076 1.00 33.12 C ATOM 1188 O ASN A 86 -27.504 1.936 -3.491 1.00 32.04 O ATOM 1189 CB ASN A 86 -29.060 -1.017 -3.340 1.00 3.13 C ATOM 1190 CG ASN A 86 -28.994 -0.604 -1.899 1.00 61.30 C ATOM 1191 OD1 ASN A 86 -29.992 -0.228 -1.292 1.00 54.20 O ATOM 1192 ND2 ASN A 86 -27.840 -0.709 -1.340 1.00 61.43 N ATOM 0 H ASN A 86 -28.964 -1.384 -5.753 1.00 64.13 H new ATOM 0 HA ASN A 86 -29.671 0.863 -4.187 1.00 45.10 H new ATOM 0 HB2 ASN A 86 -30.026 -1.486 -3.529 1.00 3.13 H new ATOM 0 HB3 ASN A 86 -28.297 -1.773 -3.526 1.00 3.13 H new ATOM 0 HD21 ASN A 86 -27.728 -0.475 -0.353 1.00 61.43 H new ATOM 0 HD22 ASN A 86 -27.037 -1.026 -1.883 1.00 61.43 H new ATOM 1199 N LEU A 87 -26.446 0.274 -4.546 1.00 20.40 N ATOM 1200 CA LEU A 87 -25.098 0.860 -4.420 1.00 44.10 C ATOM 1201 C LEU A 87 -25.066 2.187 -5.160 1.00 12.23 C ATOM 1202 O LEU A 87 -24.540 3.197 -4.667 1.00 50.03 O ATOM 1203 CB LEU A 87 -24.037 -0.082 -5.027 1.00 12.10 C ATOM 1204 CG LEU A 87 -23.912 -1.488 -4.429 1.00 74.31 C ATOM 1205 CD1 LEU A 87 -22.870 -2.295 -5.182 1.00 23.03 C ATOM 1206 CD2 LEU A 87 -23.552 -1.422 -2.962 1.00 11.13 C ATOM 0 H LEU A 87 -26.461 -0.626 -5.026 1.00 20.40 H new ATOM 0 HA LEU A 87 -24.874 1.007 -3.364 1.00 44.10 H new ATOM 0 HB2 LEU A 87 -24.250 -0.187 -6.091 1.00 12.10 H new ATOM 0 HB3 LEU A 87 -23.066 0.407 -4.943 1.00 12.10 H new ATOM 0 HG LEU A 87 -24.880 -1.981 -4.526 1.00 74.31 H new ATOM 0 HD11 LEU A 87 -22.794 -3.290 -4.744 1.00 23.03 H new ATOM 0 HD12 LEU A 87 -23.162 -2.380 -6.229 1.00 23.03 H new ATOM 0 HD13 LEU A 87 -21.904 -1.795 -5.115 1.00 23.03 H new ATOM 0 HD21 LEU A 87 -23.469 -2.433 -2.562 1.00 11.13 H new ATOM 0 HD22 LEU A 87 -22.599 -0.906 -2.844 1.00 11.13 H new ATOM 0 HD23 LEU A 87 -24.328 -0.880 -2.421 1.00 11.13 H new ATOM 1218 N ASP A 88 -25.666 2.167 -6.339 1.00 33.44 N ATOM 1219 CA ASP A 88 -25.798 3.328 -7.213 1.00 51.20 C ATOM 1220 C ASP A 88 -26.599 4.438 -6.536 1.00 52.02 C ATOM 1221 O ASP A 88 -26.350 5.614 -6.746 1.00 43.13 O ATOM 1222 CB ASP A 88 -26.449 2.888 -8.531 1.00 31.34 C ATOM 1223 CG ASP A 88 -26.782 4.020 -9.469 1.00 45.43 C ATOM 1224 OD1 ASP A 88 -25.877 4.561 -10.115 1.00 33.42 O ATOM 1225 OD2 ASP A 88 -27.976 4.339 -9.611 1.00 51.22 O ATOM 0 H ASP A 88 -26.086 1.323 -6.727 1.00 33.44 H new ATOM 0 HA ASP A 88 -24.810 3.737 -7.424 1.00 51.20 H new ATOM 0 HB2 ASP A 88 -25.778 2.196 -9.040 1.00 31.34 H new ATOM 0 HB3 ASP A 88 -27.363 2.339 -8.305 1.00 31.34 H new ATOM 1230 N ALA A 89 -27.534 4.043 -5.708 1.00 33.22 N ATOM 1231 CA ALA A 89 -28.348 4.974 -4.952 1.00 62.30 C ATOM 1232 C ALA A 89 -27.540 5.573 -3.788 1.00 1.13 C ATOM 1233 O ALA A 89 -27.597 6.781 -3.525 1.00 23.10 O ATOM 1234 CB ALA A 89 -29.583 4.252 -4.430 1.00 72.44 C ATOM 0 H ALA A 89 -27.756 3.063 -5.536 1.00 33.22 H new ATOM 0 HA ALA A 89 -28.658 5.792 -5.602 1.00 62.30 H new ATOM 0 HB1 ALA A 89 -30.198 4.949 -3.861 1.00 72.44 H new ATOM 0 HB2 ALA A 89 -30.159 3.862 -5.270 1.00 72.44 H new ATOM 0 HB3 ALA A 89 -29.277 3.428 -3.786 1.00 72.44 H new ATOM 1240 N VAL A 90 -26.777 4.725 -3.120 1.00 43.21 N ATOM 1241 CA VAL A 90 -25.967 5.112 -1.960 1.00 31.13 C ATOM 1242 C VAL A 90 -24.810 6.076 -2.341 1.00 1.34 C ATOM 1243 O VAL A 90 -24.676 7.148 -1.757 1.00 73.34 O ATOM 1244 CB VAL A 90 -25.431 3.843 -1.216 1.00 41.14 C ATOM 1245 CG1 VAL A 90 -24.517 4.202 -0.057 1.00 40.30 C ATOM 1246 CG2 VAL A 90 -26.590 3.000 -0.704 1.00 72.41 C ATOM 0 H VAL A 90 -26.696 3.738 -3.364 1.00 43.21 H new ATOM 0 HA VAL A 90 -26.616 5.663 -1.279 1.00 31.13 H new ATOM 0 HB VAL A 90 -24.849 3.272 -1.939 1.00 41.14 H new ATOM 0 HG11 VAL A 90 -24.170 3.290 0.429 1.00 40.30 H new ATOM 0 HG12 VAL A 90 -23.660 4.763 -0.430 1.00 40.30 H new ATOM 0 HG13 VAL A 90 -25.064 4.811 0.663 1.00 40.30 H new ATOM 0 HG21 VAL A 90 -26.201 2.121 -0.189 1.00 72.41 H new ATOM 0 HG22 VAL A 90 -27.191 3.590 -0.012 1.00 72.41 H new ATOM 0 HG23 VAL A 90 -27.209 2.684 -1.544 1.00 72.41 H new ATOM 1256 N GLU A 91 -23.999 5.695 -3.309 1.00 65.14 N ATOM 1257 CA GLU A 91 -22.870 6.534 -3.777 1.00 33.33 C ATOM 1258 C GLU A 91 -23.339 7.661 -4.700 1.00 21.11 C ATOM 1259 O GLU A 91 -22.642 8.661 -4.894 1.00 15.53 O ATOM 1260 CB GLU A 91 -21.816 5.687 -4.478 1.00 70.10 C ATOM 1261 CG GLU A 91 -21.143 4.669 -3.580 1.00 53.12 C ATOM 1262 CD GLU A 91 -20.329 5.303 -2.473 1.00 60.43 C ATOM 1263 OE1 GLU A 91 -20.904 5.699 -1.435 1.00 4.52 O ATOM 1264 OE2 GLU A 91 -19.097 5.407 -2.617 1.00 53.53 O ATOM 0 H GLU A 91 -24.088 4.806 -3.801 1.00 65.14 H new ATOM 0 HA GLU A 91 -22.425 6.990 -2.893 1.00 33.33 H new ATOM 0 HB2 GLU A 91 -22.282 5.166 -5.315 1.00 70.10 H new ATOM 0 HB3 GLU A 91 -21.055 6.346 -4.896 1.00 70.10 H new ATOM 0 HG2 GLU A 91 -21.902 4.022 -3.140 1.00 53.12 H new ATOM 0 HG3 GLU A 91 -20.494 4.034 -4.183 1.00 53.12 H new ATOM 1271 N GLY A 92 -24.515 7.477 -5.265 1.00 52.23 N ATOM 1272 CA GLY A 92 -25.067 8.371 -6.276 1.00 61.15 C ATOM 1273 C GLY A 92 -25.193 9.841 -5.896 1.00 23.24 C ATOM 1274 O GLY A 92 -25.343 10.679 -6.775 1.00 54.24 O ATOM 0 H GLY A 92 -25.126 6.693 -5.035 1.00 52.23 H new ATOM 0 HA2 GLY A 92 -24.443 8.303 -7.167 1.00 61.15 H new ATOM 0 HA3 GLY A 92 -26.056 8.005 -6.550 1.00 61.15 H new ATOM 1278 N ASN A 93 -25.134 10.170 -4.619 1.00 44.02 N ATOM 1279 CA ASN A 93 -25.273 11.569 -4.217 1.00 33.42 C ATOM 1280 C ASN A 93 -24.096 12.435 -4.685 1.00 3.44 C ATOM 1281 O ASN A 93 -24.272 13.634 -4.939 1.00 51.15 O ATOM 1282 CB ASN A 93 -25.574 11.747 -2.708 1.00 33.32 C ATOM 1283 CG ASN A 93 -24.514 11.186 -1.787 1.00 73.42 C ATOM 1284 OD1 ASN A 93 -23.609 12.016 -1.333 1.00 32.12 O flip ATOM 1285 ND2 ASN A 93 -24.554 10.008 -1.438 1.00 62.23 N flip ATOM 0 H ASN A 93 -24.994 9.510 -3.854 1.00 44.02 H new ATOM 0 HA ASN A 93 -26.157 11.936 -4.739 1.00 33.42 H new ATOM 0 HB2 ASN A 93 -25.695 12.810 -2.497 1.00 33.32 H new ATOM 0 HB3 ASN A 93 -26.526 11.267 -2.481 1.00 33.32 H new ATOM 0 HD21 ASN A 93 -25.273 9.389 -1.812 1.00 62.23 H new ATOM 0 HD22 ASN A 93 -23.868 9.649 -0.774 1.00 62.23 H new ATOM 1292 N GLU A 94 -22.897 11.850 -4.814 1.00 23.51 N ATOM 1293 CA GLU A 94 -21.759 12.618 -5.340 1.00 51.51 C ATOM 1294 C GLU A 94 -20.919 11.839 -6.360 1.00 13.31 C ATOM 1295 O GLU A 94 -19.940 12.377 -6.902 1.00 63.22 O ATOM 1296 CB GLU A 94 -20.844 13.148 -4.232 1.00 14.34 C ATOM 1297 CG GLU A 94 -21.509 14.087 -3.250 1.00 32.22 C ATOM 1298 CD GLU A 94 -20.532 14.694 -2.284 1.00 52.15 C ATOM 1299 OE1 GLU A 94 -20.184 14.043 -1.276 1.00 31.34 O ATOM 1300 OE2 GLU A 94 -20.109 15.852 -2.512 1.00 20.03 O ATOM 0 H GLU A 94 -22.692 10.881 -4.571 1.00 23.51 H new ATOM 0 HA GLU A 94 -22.217 13.463 -5.854 1.00 51.51 H new ATOM 0 HB2 GLU A 94 -20.436 12.300 -3.682 1.00 14.34 H new ATOM 0 HB3 GLU A 94 -20.002 13.665 -4.693 1.00 14.34 H new ATOM 0 HG2 GLU A 94 -22.015 14.882 -3.798 1.00 32.22 H new ATOM 0 HG3 GLU A 94 -22.275 13.545 -2.695 1.00 32.22 H new ATOM 1307 N TYR A 95 -21.277 10.601 -6.642 1.00 54.31 N ATOM 1308 CA TYR A 95 -20.477 9.793 -7.559 1.00 22.33 C ATOM 1309 C TYR A 95 -21.298 9.194 -8.673 1.00 72.40 C ATOM 1310 O TYR A 95 -22.529 9.188 -8.620 1.00 40.02 O ATOM 1311 CB TYR A 95 -19.732 8.693 -6.820 1.00 12.43 C ATOM 1312 CG TYR A 95 -18.749 9.204 -5.813 1.00 51.44 C ATOM 1313 CD1 TYR A 95 -19.146 9.502 -4.535 1.00 23.32 C ATOM 1314 CD2 TYR A 95 -17.429 9.392 -6.148 1.00 4.20 C ATOM 1315 CE1 TYR A 95 -18.257 9.975 -3.605 1.00 5.32 C ATOM 1316 CE2 TYR A 95 -16.522 9.863 -5.231 1.00 41.21 C ATOM 1317 CZ TYR A 95 -16.941 10.154 -3.955 1.00 41.12 C ATOM 1318 OH TYR A 95 -16.045 10.635 -3.034 1.00 4.25 O ATOM 0 H TYR A 95 -22.100 10.134 -6.261 1.00 54.31 H new ATOM 0 HA TYR A 95 -19.755 10.474 -8.009 1.00 22.33 H new ATOM 0 HB2 TYR A 95 -20.455 8.052 -6.316 1.00 12.43 H new ATOM 0 HB3 TYR A 95 -19.206 8.072 -7.545 1.00 12.43 H new ATOM 0 HD1 TYR A 95 -20.180 9.361 -4.255 1.00 23.32 H new ATOM 0 HD2 TYR A 95 -17.099 9.165 -7.151 1.00 4.20 H new ATOM 0 HE1 TYR A 95 -18.589 10.205 -2.604 1.00 5.32 H new ATOM 0 HE2 TYR A 95 -15.488 10.004 -5.510 1.00 41.21 H new ATOM 0 HH TYR A 95 -16.440 10.588 -2.138 1.00 4.25 H new ATOM 1328 N GLU A 96 -20.604 8.703 -9.676 1.00 43.33 N ATOM 1329 CA GLU A 96 -21.205 8.079 -10.830 1.00 32.40 C ATOM 1330 C GLU A 96 -20.611 6.685 -11.002 1.00 41.43 C ATOM 1331 O GLU A 96 -19.430 6.464 -10.700 1.00 51.41 O ATOM 1332 CB GLU A 96 -20.960 8.945 -12.084 1.00 73.43 C ATOM 1333 CG GLU A 96 -21.491 8.361 -13.393 1.00 12.22 C ATOM 1334 CD GLU A 96 -22.973 8.071 -13.357 1.00 14.00 C ATOM 1335 OE1 GLU A 96 -23.774 8.975 -13.632 1.00 52.02 O ATOM 1336 OE2 GLU A 96 -23.363 6.911 -13.067 1.00 60.42 O ATOM 0 H GLU A 96 -19.585 8.728 -9.711 1.00 43.33 H new ATOM 0 HA GLU A 96 -22.282 7.990 -10.690 1.00 32.40 H new ATOM 0 HB2 GLU A 96 -21.420 9.921 -11.927 1.00 73.43 H new ATOM 0 HB3 GLU A 96 -19.888 9.111 -12.187 1.00 73.43 H new ATOM 0 HG2 GLU A 96 -21.283 9.058 -14.205 1.00 12.22 H new ATOM 0 HG3 GLU A 96 -20.952 7.440 -13.618 1.00 12.22 H new ATOM 1343 N ARG A 97 -21.419 5.766 -11.473 1.00 33.33 N ATOM 1344 CA ARG A 97 -21.003 4.401 -11.645 1.00 11.14 C ATOM 1345 C ARG A 97 -20.492 4.215 -13.060 1.00 12.00 C ATOM 1346 O ARG A 97 -21.256 4.311 -14.023 1.00 33.22 O ATOM 1347 CB ARG A 97 -22.191 3.466 -11.404 1.00 51.12 C ATOM 1348 CG ARG A 97 -21.854 1.985 -11.465 1.00 50.45 C ATOM 1349 CD ARG A 97 -23.104 1.132 -11.300 1.00 44.52 C ATOM 1350 NE ARG A 97 -24.065 1.354 -12.393 1.00 44.41 N ATOM 1351 CZ ARG A 97 -25.348 0.951 -12.397 1.00 61.13 C ATOM 1352 NH1 ARG A 97 -25.878 0.353 -11.324 1.00 13.32 N ATOM 1353 NH2 ARG A 97 -26.104 1.168 -13.466 1.00 14.43 N ATOM 0 H ARG A 97 -22.385 5.947 -11.747 1.00 33.33 H new ATOM 0 HA ARG A 97 -20.212 4.166 -10.932 1.00 11.14 H new ATOM 0 HB2 ARG A 97 -22.618 3.688 -10.426 1.00 51.12 H new ATOM 0 HB3 ARG A 97 -22.961 3.681 -12.145 1.00 51.12 H new ATOM 0 HG2 ARG A 97 -21.377 1.756 -12.418 1.00 50.45 H new ATOM 0 HG3 ARG A 97 -21.136 1.739 -10.682 1.00 50.45 H new ATOM 0 HD2 ARG A 97 -22.824 0.079 -11.270 1.00 44.52 H new ATOM 0 HD3 ARG A 97 -23.578 1.363 -10.346 1.00 44.52 H new ATOM 0 HE ARG A 97 -23.730 1.855 -13.216 1.00 44.41 H new ATOM 0 HH11 ARG A 97 -25.308 0.199 -10.492 1.00 13.32 H new ATOM 0 HH12 ARG A 97 -26.852 0.051 -11.338 1.00 13.32 H new ATOM 0 HH21 ARG A 97 -25.711 1.639 -14.281 1.00 14.43 H new ATOM 0 HH22 ARG A 97 -27.078 0.864 -13.472 1.00 14.43 H new ATOM 1367 N VAL A 98 -19.229 3.945 -13.188 1.00 43.02 N ATOM 1368 CA VAL A 98 -18.621 3.764 -14.493 1.00 50.34 C ATOM 1369 C VAL A 98 -17.886 2.464 -14.589 1.00 11.52 C ATOM 1370 O VAL A 98 -17.554 1.845 -13.569 1.00 54.42 O ATOM 1371 CB VAL A 98 -17.700 4.922 -14.916 1.00 1.23 C ATOM 1372 CG1 VAL A 98 -18.510 6.194 -15.116 1.00 10.24 C ATOM 1373 CG2 VAL A 98 -16.595 5.132 -13.884 1.00 71.11 C ATOM 0 H VAL A 98 -18.585 3.842 -12.404 1.00 43.02 H new ATOM 0 HA VAL A 98 -19.457 3.753 -15.192 1.00 50.34 H new ATOM 0 HB VAL A 98 -17.229 4.666 -15.865 1.00 1.23 H new ATOM 0 HG11 VAL A 98 -17.846 7.005 -15.415 1.00 10.24 H new ATOM 0 HG12 VAL A 98 -19.257 6.031 -15.893 1.00 10.24 H new ATOM 0 HG13 VAL A 98 -19.008 6.458 -14.183 1.00 10.24 H new ATOM 0 HG21 VAL A 98 -15.954 5.955 -14.200 1.00 71.11 H new ATOM 0 HG22 VAL A 98 -17.040 5.369 -12.918 1.00 71.11 H new ATOM 0 HG23 VAL A 98 -16.001 4.222 -13.796 1.00 71.11 H new ATOM 1383 N THR A 99 -17.639 2.055 -15.797 1.00 51.33 N ATOM 1384 CA THR A 99 -16.989 0.792 -16.053 1.00 63.35 C ATOM 1385 C THR A 99 -15.475 0.968 -16.060 1.00 40.45 C ATOM 1386 O THR A 99 -14.939 1.899 -16.689 1.00 41.12 O ATOM 1387 CB THR A 99 -17.489 0.114 -17.380 1.00 11.35 C ATOM 1388 OG1 THR A 99 -16.823 -1.140 -17.581 1.00 11.53 O ATOM 1389 CG2 THR A 99 -17.264 0.999 -18.599 1.00 74.10 C ATOM 0 H THR A 99 -17.880 2.582 -16.636 1.00 51.33 H new ATOM 0 HA THR A 99 -17.261 0.116 -15.242 1.00 63.35 H new ATOM 0 HB THR A 99 -18.562 -0.045 -17.269 1.00 11.35 H new ATOM 0 HG1 THR A 99 -17.145 -1.552 -18.410 1.00 11.53 H new ATOM 0 HG21 THR A 99 -17.625 0.488 -19.491 1.00 74.10 H new ATOM 0 HG22 THR A 99 -17.806 1.936 -18.473 1.00 74.10 H new ATOM 0 HG23 THR A 99 -16.199 1.207 -18.706 1.00 74.10 H new ATOM 1397 N VAL A 100 -14.796 0.117 -15.335 1.00 23.12 N ATOM 1398 CA VAL A 100 -13.347 0.189 -15.226 1.00 51.55 C ATOM 1399 C VAL A 100 -12.708 -1.201 -15.302 1.00 71.22 C ATOM 1400 O VAL A 100 -13.389 -2.224 -15.176 1.00 44.44 O ATOM 1401 CB VAL A 100 -12.892 0.894 -13.910 1.00 62.22 C ATOM 1402 CG1 VAL A 100 -13.350 2.349 -13.863 1.00 12.55 C ATOM 1403 CG2 VAL A 100 -13.392 0.141 -12.684 1.00 1.23 C ATOM 0 H VAL A 100 -15.220 -0.643 -14.804 1.00 23.12 H new ATOM 0 HA VAL A 100 -13.008 0.785 -16.074 1.00 51.55 H new ATOM 0 HB VAL A 100 -11.802 0.885 -13.901 1.00 62.22 H new ATOM 0 HG11 VAL A 100 -13.014 2.806 -12.932 1.00 12.55 H new ATOM 0 HG12 VAL A 100 -12.925 2.892 -14.708 1.00 12.55 H new ATOM 0 HG13 VAL A 100 -14.438 2.390 -13.916 1.00 12.55 H new ATOM 0 HG21 VAL A 100 -13.060 0.654 -11.781 1.00 1.23 H new ATOM 0 HG22 VAL A 100 -14.481 0.102 -12.700 1.00 1.23 H new ATOM 0 HG23 VAL A 100 -12.993 -0.873 -12.692 1.00 1.23 H new ATOM 1413 N GLY A 101 -11.415 -1.229 -15.507 1.00 54.01 N ATOM 1414 CA GLY A 101 -10.699 -2.468 -15.562 1.00 23.22 C ATOM 1415 C GLY A 101 -9.736 -2.569 -14.416 1.00 70.01 C ATOM 1416 O GLY A 101 -8.906 -1.682 -14.226 1.00 11.30 O ATOM 0 H GLY A 101 -10.838 -0.398 -15.639 1.00 54.01 H new ATOM 0 HA2 GLY A 101 -11.400 -3.302 -15.530 1.00 23.22 H new ATOM 0 HA3 GLY A 101 -10.159 -2.541 -16.506 1.00 23.22 H new ATOM 1420 N ILE A 102 -9.850 -3.615 -13.647 1.00 34.13 N ATOM 1421 CA ILE A 102 -9.001 -3.812 -12.496 1.00 71.32 C ATOM 1422 C ILE A 102 -8.144 -5.029 -12.667 1.00 74.01 C ATOM 1423 O ILE A 102 -8.437 -5.887 -13.482 1.00 53.41 O ATOM 1424 CB ILE A 102 -9.810 -3.868 -11.142 1.00 14.14 C ATOM 1425 CG1 ILE A 102 -10.915 -4.956 -11.111 1.00 63.43 C ATOM 1426 CG2 ILE A 102 -10.402 -2.533 -10.813 1.00 11.33 C ATOM 1427 CD1 ILE A 102 -10.457 -6.380 -10.870 1.00 52.13 C ATOM 0 H ILE A 102 -10.533 -4.358 -13.797 1.00 34.13 H new ATOM 0 HA ILE A 102 -8.352 -2.939 -12.430 1.00 71.32 H new ATOM 0 HB ILE A 102 -9.079 -4.145 -10.383 1.00 14.14 H new ATOM 0 HG12 ILE A 102 -11.631 -4.692 -10.333 1.00 63.43 H new ATOM 0 HG13 ILE A 102 -11.450 -4.926 -12.060 1.00 63.43 H new ATOM 0 HG21 ILE A 102 -10.954 -2.601 -9.875 1.00 11.33 H new ATOM 0 HG22 ILE A 102 -9.605 -1.796 -10.713 1.00 11.33 H new ATOM 0 HG23 ILE A 102 -11.079 -2.229 -11.611 1.00 11.33 H new ATOM 0 HD11 ILE A 102 -11.321 -7.045 -10.871 1.00 52.13 H new ATOM 0 HD12 ILE A 102 -9.768 -6.679 -11.660 1.00 52.13 H new ATOM 0 HD13 ILE A 102 -9.953 -6.442 -9.906 1.00 52.13 H new ATOM 1439 N VAL A 103 -7.098 -5.099 -11.922 1.00 31.32 N ATOM 1440 CA VAL A 103 -6.220 -6.219 -11.952 1.00 24.22 C ATOM 1441 C VAL A 103 -6.200 -6.800 -10.573 1.00 3.43 C ATOM 1442 O VAL A 103 -5.785 -6.135 -9.629 1.00 15.32 O ATOM 1443 CB VAL A 103 -4.778 -5.816 -12.385 1.00 40.03 C ATOM 1444 CG1 VAL A 103 -3.846 -7.024 -12.405 1.00 73.01 C ATOM 1445 CG2 VAL A 103 -4.786 -5.132 -13.748 1.00 12.34 C ATOM 0 H VAL A 103 -6.822 -4.370 -11.264 1.00 31.32 H new ATOM 0 HA VAL A 103 -6.575 -6.944 -12.685 1.00 24.22 H new ATOM 0 HB VAL A 103 -4.402 -5.109 -11.646 1.00 40.03 H new ATOM 0 HG11 VAL A 103 -2.848 -6.709 -12.711 1.00 73.01 H new ATOM 0 HG12 VAL A 103 -3.798 -7.463 -11.409 1.00 73.01 H new ATOM 0 HG13 VAL A 103 -4.225 -7.764 -13.110 1.00 73.01 H new ATOM 0 HG21 VAL A 103 -3.767 -4.862 -14.025 1.00 12.34 H new ATOM 0 HG22 VAL A 103 -5.197 -5.812 -14.494 1.00 12.34 H new ATOM 0 HG23 VAL A 103 -5.400 -4.233 -13.700 1.00 12.34 H new ATOM 1455 N ARG A 104 -6.695 -8.008 -10.431 1.00 64.11 N ATOM 1456 CA ARG A 104 -6.735 -8.620 -9.130 1.00 31.11 C ATOM 1457 C ARG A 104 -5.363 -8.947 -8.689 1.00 12.22 C ATOM 1458 O ARG A 104 -4.597 -9.511 -9.440 1.00 31.14 O ATOM 1459 CB ARG A 104 -7.543 -9.922 -9.076 1.00 72.33 C ATOM 1460 CG ARG A 104 -8.972 -9.825 -9.495 1.00 60.12 C ATOM 1461 CD ARG A 104 -9.764 -11.042 -9.012 1.00 45.13 C ATOM 1462 NE ARG A 104 -9.272 -12.330 -9.502 1.00 35.10 N ATOM 1463 CZ ARG A 104 -9.917 -13.513 -9.287 1.00 62.32 C ATOM 1464 NH1 ARG A 104 -10.994 -13.559 -8.508 1.00 32.40 N ATOM 1465 NH2 ARG A 104 -9.475 -14.627 -9.838 1.00 63.23 N ATOM 0 H ARG A 104 -7.070 -8.577 -11.190 1.00 64.11 H new ATOM 0 HA ARG A 104 -7.221 -7.890 -8.483 1.00 31.11 H new ATOM 0 HB2 ARG A 104 -7.049 -10.659 -9.709 1.00 72.33 H new ATOM 0 HB3 ARG A 104 -7.510 -10.305 -8.056 1.00 72.33 H new ATOM 0 HG2 ARG A 104 -9.413 -8.914 -9.090 1.00 60.12 H new ATOM 0 HG3 ARG A 104 -9.033 -9.753 -10.581 1.00 60.12 H new ATOM 0 HD2 ARG A 104 -9.753 -11.056 -7.922 1.00 45.13 H new ATOM 0 HD3 ARG A 104 -10.804 -10.926 -9.318 1.00 45.13 H new ATOM 0 HE ARG A 104 -8.401 -12.344 -10.032 1.00 35.10 H new ATOM 0 HH11 ARG A 104 -11.342 -12.707 -8.068 1.00 32.40 H new ATOM 0 HH12 ARG A 104 -11.472 -14.446 -8.351 1.00 32.40 H new ATOM 0 HH21 ARG A 104 -8.645 -14.609 -10.430 1.00 63.23 H new ATOM 0 HH22 ARG A 104 -9.963 -15.507 -9.672 1.00 63.23 H new ATOM 1479 N GLU A 105 -5.075 -8.649 -7.467 1.00 33.52 N ATOM 1480 CA GLU A 105 -3.821 -9.007 -6.873 1.00 25.40 C ATOM 1481 C GLU A 105 -3.887 -10.464 -6.404 1.00 32.21 C ATOM 1482 O GLU A 105 -2.968 -10.985 -5.780 1.00 33.31 O ATOM 1483 CB GLU A 105 -3.472 -8.050 -5.741 1.00 43.02 C ATOM 1484 CG GLU A 105 -3.190 -6.624 -6.220 1.00 1.42 C ATOM 1485 CD GLU A 105 -2.708 -5.697 -5.118 1.00 3.30 C ATOM 1486 OE1 GLU A 105 -1.677 -5.995 -4.485 1.00 0.14 O ATOM 1487 OE2 GLU A 105 -3.353 -4.654 -4.865 1.00 72.13 O ATOM 0 H GLU A 105 -5.705 -8.146 -6.843 1.00 33.52 H new ATOM 0 HA GLU A 105 -3.022 -8.923 -7.609 1.00 25.40 H new ATOM 0 HB2 GLU A 105 -4.294 -8.030 -5.025 1.00 43.02 H new ATOM 0 HB3 GLU A 105 -2.597 -8.428 -5.212 1.00 43.02 H new ATOM 0 HG2 GLU A 105 -2.440 -6.657 -7.010 1.00 1.42 H new ATOM 0 HG3 GLU A 105 -4.098 -6.211 -6.660 1.00 1.42 H new ATOM 1494 N ASP A 106 -5.012 -11.096 -6.746 1.00 53.32 N ATOM 1495 CA ASP A 106 -5.275 -12.505 -6.509 1.00 73.55 C ATOM 1496 C ASP A 106 -4.190 -13.340 -7.159 1.00 73.33 C ATOM 1497 O ASP A 106 -3.451 -14.050 -6.487 1.00 54.13 O ATOM 1498 CB ASP A 106 -6.636 -12.854 -7.124 1.00 43.41 C ATOM 1499 CG ASP A 106 -6.970 -14.323 -7.078 1.00 3.23 C ATOM 1500 OD1 ASP A 106 -7.551 -14.773 -6.091 1.00 61.23 O ATOM 1501 OD2 ASP A 106 -6.668 -15.034 -8.056 1.00 24.05 O ATOM 0 H ASP A 106 -5.786 -10.620 -7.210 1.00 53.32 H new ATOM 0 HA ASP A 106 -5.285 -12.711 -5.439 1.00 73.55 H new ATOM 0 HB2 ASP A 106 -7.413 -12.298 -6.600 1.00 43.41 H new ATOM 0 HB3 ASP A 106 -6.651 -12.521 -8.162 1.00 43.41 H new ATOM 1506 N ASN A 107 -4.099 -13.232 -8.473 1.00 2.13 N ATOM 1507 CA ASN A 107 -3.040 -13.928 -9.233 1.00 41.31 C ATOM 1508 C ASN A 107 -2.486 -12.995 -10.287 1.00 11.32 C ATOM 1509 O ASN A 107 -1.729 -13.396 -11.163 1.00 62.24 O ATOM 1510 CB ASN A 107 -3.580 -15.208 -9.911 1.00 3.23 C ATOM 1511 CG ASN A 107 -4.589 -14.942 -11.027 1.00 50.22 C ATOM 1512 OD1 ASN A 107 -4.233 -14.822 -12.205 1.00 52.44 O ATOM 1513 ND2 ASN A 107 -5.831 -14.841 -10.677 1.00 13.13 N ATOM 0 H ASN A 107 -4.734 -12.676 -9.045 1.00 2.13 H new ATOM 0 HA ASN A 107 -2.254 -14.220 -8.536 1.00 41.31 H new ATOM 0 HB2 ASN A 107 -2.741 -15.771 -10.320 1.00 3.23 H new ATOM 0 HB3 ASN A 107 -4.048 -15.838 -9.154 1.00 3.23 H new ATOM 0 HD21 ASN A 107 -6.546 -14.658 -11.381 1.00 13.13 H new ATOM 0 HD22 ASN A 107 -6.095 -14.945 -9.697 1.00 13.13 H new ATOM 1520 N SER A 108 -2.849 -11.733 -10.152 1.00 21.24 N ATOM 1521 CA SER A 108 -2.538 -10.689 -11.102 1.00 62.22 C ATOM 1522 C SER A 108 -3.194 -10.982 -12.454 1.00 3.11 C ATOM 1523 O SER A 108 -2.569 -11.523 -13.378 1.00 64.01 O ATOM 1524 CB SER A 108 -1.022 -10.405 -11.219 1.00 4.53 C ATOM 1525 OG SER A 108 -0.769 -9.260 -12.027 1.00 20.11 O ATOM 0 H SER A 108 -3.385 -11.399 -9.351 1.00 21.24 H new ATOM 0 HA SER A 108 -2.965 -9.762 -10.719 1.00 62.22 H new ATOM 0 HB2 SER A 108 -0.601 -10.251 -10.225 1.00 4.53 H new ATOM 0 HB3 SER A 108 -0.520 -11.273 -11.647 1.00 4.53 H new ATOM 0 HG SER A 108 0.197 -9.105 -12.081 1.00 20.11 H new ATOM 1531 N GLU A 109 -4.484 -10.699 -12.527 1.00 43.11 N ATOM 1532 CA GLU A 109 -5.246 -10.890 -13.709 1.00 2.14 C ATOM 1533 C GLU A 109 -6.133 -9.694 -13.891 1.00 61.35 C ATOM 1534 O GLU A 109 -6.532 -9.073 -12.910 1.00 65.54 O ATOM 1535 CB GLU A 109 -6.107 -12.138 -13.603 1.00 21.21 C ATOM 1536 CG GLU A 109 -7.207 -12.103 -12.558 1.00 54.43 C ATOM 1537 CD GLU A 109 -8.142 -13.281 -12.694 1.00 71.32 C ATOM 1538 OE1 GLU A 109 -9.039 -13.245 -13.550 1.00 51.31 O ATOM 1539 OE2 GLU A 109 -7.988 -14.248 -11.957 1.00 1.31 O ATOM 0 H GLU A 109 -5.022 -10.325 -11.745 1.00 43.11 H new ATOM 0 HA GLU A 109 -4.572 -11.010 -14.557 1.00 2.14 H new ATOM 0 HB2 GLU A 109 -6.563 -12.324 -14.575 1.00 21.21 H new ATOM 0 HB3 GLU A 109 -5.457 -12.986 -13.389 1.00 21.21 H new ATOM 0 HG2 GLU A 109 -6.764 -12.103 -11.562 1.00 54.43 H new ATOM 0 HG3 GLU A 109 -7.772 -11.176 -12.655 1.00 54.43 H new ATOM 1546 N LYS A 110 -6.459 -9.384 -15.097 1.00 24.22 N ATOM 1547 CA LYS A 110 -7.282 -8.224 -15.356 1.00 15.42 C ATOM 1548 C LYS A 110 -8.747 -8.626 -15.440 1.00 44.24 C ATOM 1549 O LYS A 110 -9.092 -9.684 -15.983 1.00 1.31 O ATOM 1550 CB LYS A 110 -6.855 -7.497 -16.633 1.00 43.45 C ATOM 1551 CG LYS A 110 -7.025 -8.311 -17.889 1.00 51.04 C ATOM 1552 CD LYS A 110 -6.600 -7.540 -19.107 1.00 22.13 C ATOM 1553 CE LYS A 110 -6.820 -8.345 -20.368 1.00 65.33 C ATOM 1554 NZ LYS A 110 -6.438 -7.591 -21.569 1.00 71.22 N ATOM 0 H LYS A 110 -6.177 -9.907 -15.926 1.00 24.22 H new ATOM 0 HA LYS A 110 -7.148 -7.532 -14.525 1.00 15.42 H new ATOM 0 HB2 LYS A 110 -7.434 -6.579 -16.727 1.00 43.45 H new ATOM 0 HB3 LYS A 110 -5.809 -7.206 -16.540 1.00 43.45 H new ATOM 0 HG2 LYS A 110 -6.438 -9.226 -17.813 1.00 51.04 H new ATOM 0 HG3 LYS A 110 -8.068 -8.610 -17.992 1.00 51.04 H new ATOM 0 HD2 LYS A 110 -7.162 -6.608 -19.165 1.00 22.13 H new ATOM 0 HD3 LYS A 110 -5.547 -7.273 -19.022 1.00 22.13 H new ATOM 0 HE2 LYS A 110 -6.240 -9.266 -20.317 1.00 65.33 H new ATOM 0 HE3 LYS A 110 -7.869 -8.633 -20.438 1.00 65.33 H new ATOM 0 HZ1 LYS A 110 -6.603 -8.176 -22.413 1.00 71.22 H new ATOM 0 HZ2 LYS A 110 -7.009 -6.724 -21.631 1.00 71.22 H new ATOM 0 HZ3 LYS A 110 -5.431 -7.338 -21.515 1.00 71.22 H new ATOM 1568 N MET A 111 -9.580 -7.803 -14.904 1.00 52.22 N ATOM 1569 CA MET A 111 -11.013 -8.014 -14.872 1.00 73.31 C ATOM 1570 C MET A 111 -11.721 -6.737 -15.080 1.00 3.01 C ATOM 1571 O MET A 111 -11.142 -5.664 -14.929 1.00 44.13 O ATOM 1572 CB MET A 111 -11.485 -8.613 -13.558 1.00 71.35 C ATOM 1573 CG MET A 111 -11.027 -10.011 -13.334 1.00 15.51 C ATOM 1574 SD MET A 111 -11.577 -10.694 -11.770 1.00 11.33 S ATOM 1575 CE MET A 111 -13.348 -10.600 -11.987 1.00 74.10 C ATOM 0 H MET A 111 -9.289 -6.933 -14.458 1.00 52.22 H new ATOM 0 HA MET A 111 -11.239 -8.718 -15.673 1.00 73.31 H new ATOM 0 HB2 MET A 111 -11.131 -7.989 -12.737 1.00 71.35 H new ATOM 0 HB3 MET A 111 -12.574 -8.589 -13.529 1.00 71.35 H new ATOM 0 HG2 MET A 111 -11.392 -10.640 -14.146 1.00 15.51 H new ATOM 0 HG3 MET A 111 -9.938 -10.040 -13.373 1.00 15.51 H new ATOM 0 HE1 MET A 111 -13.833 -11.336 -11.346 1.00 74.10 H new ATOM 0 HE2 MET A 111 -13.695 -9.602 -11.720 1.00 74.10 H new ATOM 0 HE3 MET A 111 -13.598 -10.805 -13.028 1.00 74.10 H new ATOM 1585 N ALA A 112 -12.936 -6.838 -15.434 1.00 21.43 N ATOM 1586 CA ALA A 112 -13.751 -5.669 -15.641 1.00 21.22 C ATOM 1587 C ALA A 112 -14.760 -5.553 -14.533 1.00 33.11 C ATOM 1588 O ALA A 112 -15.469 -6.510 -14.234 1.00 34.34 O ATOM 1589 CB ALA A 112 -14.435 -5.705 -16.983 1.00 2.12 C ATOM 0 H ALA A 112 -13.415 -7.724 -15.594 1.00 21.43 H new ATOM 0 HA ALA A 112 -13.104 -4.792 -15.630 1.00 21.22 H new ATOM 0 HB1 ALA A 112 -15.042 -4.808 -17.106 1.00 2.12 H new ATOM 0 HB2 ALA A 112 -13.685 -5.747 -17.773 1.00 2.12 H new ATOM 0 HB3 ALA A 112 -15.074 -6.586 -17.042 1.00 2.12 H new ATOM 1595 N VAL A 113 -14.819 -4.392 -13.939 1.00 63.42 N ATOM 1596 CA VAL A 113 -15.702 -4.120 -12.817 1.00 43.24 C ATOM 1597 C VAL A 113 -16.225 -2.705 -12.951 1.00 23.41 C ATOM 1598 O VAL A 113 -15.833 -1.983 -13.864 1.00 41.11 O ATOM 1599 CB VAL A 113 -14.973 -4.238 -11.433 1.00 71.33 C ATOM 1600 CG1 VAL A 113 -14.375 -5.618 -11.209 1.00 52.20 C ATOM 1601 CG2 VAL A 113 -13.908 -3.175 -11.292 1.00 43.25 C ATOM 0 H VAL A 113 -14.251 -3.592 -14.218 1.00 63.42 H new ATOM 0 HA VAL A 113 -16.502 -4.860 -12.841 1.00 43.24 H new ATOM 0 HB VAL A 113 -15.731 -4.084 -10.665 1.00 71.33 H new ATOM 0 HG11 VAL A 113 -13.882 -5.648 -10.237 1.00 52.20 H new ATOM 0 HG12 VAL A 113 -15.167 -6.367 -11.237 1.00 52.20 H new ATOM 0 HG13 VAL A 113 -13.647 -5.830 -11.992 1.00 52.20 H new ATOM 0 HG21 VAL A 113 -13.417 -3.278 -10.324 1.00 43.25 H new ATOM 0 HG22 VAL A 113 -13.171 -3.291 -12.087 1.00 43.25 H new ATOM 0 HG23 VAL A 113 -14.367 -2.189 -11.363 1.00 43.25 H new ATOM 1611 N LYS A 114 -17.115 -2.315 -12.095 1.00 41.34 N ATOM 1612 CA LYS A 114 -17.548 -0.941 -12.086 1.00 51.11 C ATOM 1613 C LYS A 114 -17.114 -0.283 -10.803 1.00 23.44 C ATOM 1614 O LYS A 114 -16.840 -0.963 -9.823 1.00 74.44 O ATOM 1615 CB LYS A 114 -19.052 -0.805 -12.296 1.00 71.14 C ATOM 1616 CG LYS A 114 -19.518 -1.378 -13.613 1.00 11.52 C ATOM 1617 CD LYS A 114 -20.960 -1.064 -13.879 1.00 23.40 C ATOM 1618 CE LYS A 114 -21.419 -1.708 -15.173 1.00 74.42 C ATOM 1619 NZ LYS A 114 -22.826 -1.393 -15.498 1.00 53.13 N ATOM 0 H LYS A 114 -17.556 -2.915 -11.398 1.00 41.34 H new ATOM 0 HA LYS A 114 -17.076 -0.433 -12.927 1.00 51.11 H new ATOM 0 HB2 LYS A 114 -19.574 -1.308 -11.482 1.00 71.14 H new ATOM 0 HB3 LYS A 114 -19.326 0.249 -12.247 1.00 71.14 H new ATOM 0 HG2 LYS A 114 -18.904 -0.979 -14.420 1.00 11.52 H new ATOM 0 HG3 LYS A 114 -19.376 -2.459 -13.610 1.00 11.52 H new ATOM 0 HD2 LYS A 114 -21.574 -1.421 -13.052 1.00 23.40 H new ATOM 0 HD3 LYS A 114 -21.098 0.016 -13.935 1.00 23.40 H new ATOM 0 HE2 LYS A 114 -20.778 -1.373 -15.988 1.00 74.42 H new ATOM 0 HE3 LYS A 114 -21.301 -2.789 -15.098 1.00 74.42 H new ATOM 0 HZ1 LYS A 114 -23.088 -1.857 -16.391 1.00 53.13 H new ATOM 0 HZ2 LYS A 114 -23.444 -1.736 -14.735 1.00 53.13 H new ATOM 0 HZ3 LYS A 114 -22.937 -0.364 -15.597 1.00 53.13 H new ATOM 1633 N THR A 115 -17.017 1.008 -10.809 1.00 0.02 N ATOM 1634 CA THR A 115 -16.631 1.729 -9.634 1.00 53.12 C ATOM 1635 C THR A 115 -17.292 3.097 -9.667 1.00 51.11 C ATOM 1636 O THR A 115 -17.933 3.463 -10.674 1.00 33.34 O ATOM 1637 CB THR A 115 -15.080 1.878 -9.510 1.00 45.34 C ATOM 1638 OG1 THR A 115 -14.738 2.351 -8.198 1.00 50.14 O ATOM 1639 CG2 THR A 115 -14.551 2.876 -10.529 1.00 64.14 C ATOM 0 H THR A 115 -17.202 1.592 -11.624 1.00 0.02 H new ATOM 0 HA THR A 115 -16.960 1.166 -8.761 1.00 53.12 H new ATOM 0 HB THR A 115 -14.634 0.900 -9.691 1.00 45.34 H new ATOM 0 HG1 THR A 115 -14.782 1.608 -7.561 1.00 50.14 H new ATOM 0 HG21 THR A 115 -13.470 2.964 -10.425 1.00 64.14 H new ATOM 0 HG22 THR A 115 -14.792 2.531 -11.535 1.00 64.14 H new ATOM 0 HG23 THR A 115 -15.012 3.849 -10.359 1.00 64.14 H new ATOM 1647 N TYR A 116 -17.161 3.820 -8.598 1.00 44.01 N ATOM 1648 CA TYR A 116 -17.739 5.118 -8.471 1.00 25.30 C ATOM 1649 C TYR A 116 -16.634 6.147 -8.371 1.00 73.21 C ATOM 1650 O TYR A 116 -15.839 6.134 -7.431 1.00 75.33 O ATOM 1651 CB TYR A 116 -18.658 5.173 -7.247 1.00 24.43 C ATOM 1652 CG TYR A 116 -19.809 4.196 -7.319 1.00 3.31 C ATOM 1653 CD1 TYR A 116 -19.665 2.882 -6.879 1.00 62.43 C ATOM 1654 CD2 TYR A 116 -21.031 4.583 -7.832 1.00 23.03 C ATOM 1655 CE1 TYR A 116 -20.712 1.987 -6.958 1.00 11.33 C ATOM 1656 CE2 TYR A 116 -22.082 3.697 -7.911 1.00 55.14 C ATOM 1657 CZ TYR A 116 -21.918 2.401 -7.475 1.00 31.33 C ATOM 1658 OH TYR A 116 -22.961 1.515 -7.567 1.00 23.40 O ATOM 0 H TYR A 116 -16.639 3.517 -7.775 1.00 44.01 H new ATOM 0 HA TYR A 116 -18.345 5.338 -9.350 1.00 25.30 H new ATOM 0 HB2 TYR A 116 -18.072 4.967 -6.352 1.00 24.43 H new ATOM 0 HB3 TYR A 116 -19.054 6.183 -7.144 1.00 24.43 H new ATOM 0 HD1 TYR A 116 -18.719 2.559 -6.470 1.00 62.43 H new ATOM 0 HD2 TYR A 116 -21.165 5.598 -8.177 1.00 23.03 H new ATOM 0 HE1 TYR A 116 -20.586 0.970 -6.617 1.00 11.33 H new ATOM 0 HE2 TYR A 116 -23.032 4.017 -8.313 1.00 55.14 H new ATOM 0 HH TYR A 116 -22.625 0.601 -7.457 1.00 23.40 H new ATOM 1668 N MET A 117 -16.560 7.002 -9.350 1.00 73.11 N ATOM 1669 CA MET A 117 -15.550 8.029 -9.377 1.00 33.51 C ATOM 1670 C MET A 117 -16.150 9.409 -9.239 1.00 70.05 C ATOM 1671 O MET A 117 -17.349 9.609 -9.503 1.00 0.41 O ATOM 1672 CB MET A 117 -14.521 7.883 -10.544 1.00 22.04 C ATOM 1673 CG MET A 117 -15.074 7.823 -11.946 1.00 50.30 C ATOM 1674 SD MET A 117 -15.910 9.311 -12.514 1.00 4.14 S ATOM 1675 CE MET A 117 -16.430 8.765 -14.141 1.00 54.02 C ATOM 0 H MET A 117 -17.193 7.010 -10.150 1.00 73.11 H new ATOM 0 HA MET A 117 -14.936 7.880 -8.488 1.00 33.51 H new ATOM 0 HB2 MET A 117 -13.827 8.722 -10.490 1.00 22.04 H new ATOM 0 HB3 MET A 117 -13.940 6.977 -10.371 1.00 22.04 H new ATOM 0 HG2 MET A 117 -14.256 7.603 -12.631 1.00 50.30 H new ATOM 0 HG3 MET A 117 -15.773 6.989 -12.007 1.00 50.30 H new ATOM 0 HE1 MET A 117 -16.486 9.622 -14.812 1.00 54.02 H new ATOM 0 HE2 MET A 117 -15.710 8.046 -14.531 1.00 54.02 H new ATOM 0 HE3 MET A 117 -17.411 8.294 -14.071 1.00 54.02 H new ATOM 1685 N TRP A 118 -15.338 10.332 -8.774 1.00 13.23 N ATOM 1686 CA TRP A 118 -15.751 11.686 -8.479 1.00 2.13 C ATOM 1687 C TRP A 118 -16.093 12.377 -9.769 1.00 32.12 C ATOM 1688 O TRP A 118 -15.244 12.552 -10.634 1.00 53.10 O ATOM 1689 CB TRP A 118 -14.615 12.408 -7.740 1.00 42.41 C ATOM 1690 CG TRP A 118 -14.938 13.773 -7.207 1.00 51.11 C ATOM 1691 CD1 TRP A 118 -14.413 14.971 -7.602 1.00 32.14 C ATOM 1692 CD2 TRP A 118 -15.859 14.066 -6.168 1.00 63.31 C ATOM 1693 NE1 TRP A 118 -14.951 15.986 -6.846 1.00 13.23 N ATOM 1694 CE2 TRP A 118 -15.841 15.453 -5.962 1.00 35.14 C ATOM 1695 CE3 TRP A 118 -16.694 13.285 -5.391 1.00 40.32 C ATOM 1696 CZ2 TRP A 118 -16.629 16.069 -4.996 1.00 31.20 C ATOM 1697 CZ3 TRP A 118 -17.474 13.887 -4.448 1.00 62.42 C ATOM 1698 CH2 TRP A 118 -17.440 15.269 -4.253 1.00 22.24 C ATOM 0 H TRP A 118 -14.351 10.158 -8.586 1.00 13.23 H new ATOM 0 HA TRP A 118 -16.632 11.693 -7.837 1.00 2.13 H new ATOM 0 HB2 TRP A 118 -14.294 11.782 -6.908 1.00 42.41 H new ATOM 0 HB3 TRP A 118 -13.766 12.496 -8.418 1.00 42.41 H new ATOM 0 HD1 TRP A 118 -13.685 15.101 -8.389 1.00 32.14 H new ATOM 0 HE1 TRP A 118 -14.721 16.976 -6.933 1.00 13.23 H new ATOM 0 HE3 TRP A 118 -16.728 12.214 -5.529 1.00 40.32 H new ATOM 0 HZ2 TRP A 118 -16.598 17.138 -4.842 1.00 31.20 H new ATOM 0 HZ3 TRP A 118 -18.131 13.283 -3.840 1.00 62.42 H new ATOM 0 HH2 TRP A 118 -18.071 15.712 -3.496 1.00 22.24 H new ATOM 1709 N ILE A 119 -17.339 12.773 -9.870 1.00 63.30 N ATOM 1710 CA ILE A 119 -17.920 13.309 -11.100 1.00 72.22 C ATOM 1711 C ILE A 119 -17.195 14.556 -11.615 1.00 35.15 C ATOM 1712 O ILE A 119 -17.044 14.743 -12.827 1.00 51.22 O ATOM 1713 CB ILE A 119 -19.424 13.591 -10.893 1.00 44.10 C ATOM 1714 CG1 ILE A 119 -20.100 12.294 -10.436 1.00 52.21 C ATOM 1715 CG2 ILE A 119 -20.064 14.109 -12.183 1.00 71.42 C ATOM 1716 CD1 ILE A 119 -21.554 12.422 -10.087 1.00 73.13 C ATOM 0 H ILE A 119 -17.998 12.735 -9.092 1.00 63.30 H new ATOM 0 HA ILE A 119 -17.795 12.549 -11.871 1.00 72.22 H new ATOM 0 HB ILE A 119 -19.552 14.363 -10.134 1.00 44.10 H new ATOM 0 HG12 ILE A 119 -19.996 11.551 -11.226 1.00 52.21 H new ATOM 0 HG13 ILE A 119 -19.566 11.911 -9.566 1.00 52.21 H new ATOM 0 HG21 ILE A 119 -21.123 14.300 -12.012 1.00 71.42 H new ATOM 0 HG22 ILE A 119 -19.573 15.033 -12.487 1.00 71.42 H new ATOM 0 HG23 ILE A 119 -19.952 13.363 -12.970 1.00 71.42 H new ATOM 0 HD11 ILE A 119 -21.940 11.451 -9.776 1.00 73.13 H new ATOM 0 HD12 ILE A 119 -21.671 13.137 -9.273 1.00 73.13 H new ATOM 0 HD13 ILE A 119 -22.108 12.771 -10.959 1.00 73.13 H new ATOM 1728 N ASN A 120 -16.730 15.385 -10.706 1.00 54.25 N ATOM 1729 CA ASN A 120 -16.019 16.604 -11.084 1.00 51.25 C ATOM 1730 C ASN A 120 -14.634 16.265 -11.666 1.00 24.11 C ATOM 1731 O ASN A 120 -14.129 16.960 -12.559 1.00 70.54 O ATOM 1732 CB ASN A 120 -15.900 17.541 -9.879 1.00 72.01 C ATOM 1733 CG ASN A 120 -15.194 18.853 -10.195 1.00 20.43 C ATOM 1734 OD1 ASN A 120 -15.241 19.352 -11.317 1.00 51.50 O ATOM 1735 ND2 ASN A 120 -14.571 19.429 -9.211 1.00 71.01 N ATOM 0 H ASN A 120 -16.827 15.245 -9.700 1.00 54.25 H new ATOM 0 HA ASN A 120 -16.588 17.118 -11.859 1.00 51.25 H new ATOM 0 HB2 ASN A 120 -16.898 17.758 -9.498 1.00 72.01 H new ATOM 0 HB3 ASN A 120 -15.359 17.029 -9.083 1.00 72.01 H new ATOM 0 HD21 ASN A 120 -14.102 20.323 -9.358 1.00 71.01 H new ATOM 0 HD22 ASN A 120 -14.551 18.988 -8.292 1.00 71.01 H new ATOM 1742 N LYS A 121 -14.055 15.166 -11.172 1.00 53.24 N ATOM 1743 CA LYS A 121 -12.739 14.636 -11.595 1.00 14.33 C ATOM 1744 C LYS A 121 -11.562 15.533 -11.206 1.00 11.24 C ATOM 1745 O LYS A 121 -10.675 15.112 -10.474 1.00 31.14 O ATOM 1746 CB LYS A 121 -12.705 14.297 -13.090 1.00 70.34 C ATOM 1747 CG LYS A 121 -13.725 13.247 -13.506 1.00 74.35 C ATOM 1748 CD LYS A 121 -13.637 12.949 -14.987 1.00 73.01 C ATOM 1749 CE LYS A 121 -14.668 11.919 -15.407 1.00 72.33 C ATOM 1750 NZ LYS A 121 -14.575 11.610 -16.852 1.00 32.31 N ATOM 0 H LYS A 121 -14.495 14.599 -10.447 1.00 53.24 H new ATOM 0 HA LYS A 121 -12.614 13.708 -11.037 1.00 14.33 H new ATOM 0 HB2 LYS A 121 -12.880 15.207 -13.663 1.00 70.34 H new ATOM 0 HB3 LYS A 121 -11.707 13.944 -13.350 1.00 70.34 H new ATOM 0 HG2 LYS A 121 -13.559 12.331 -12.938 1.00 74.35 H new ATOM 0 HG3 LYS A 121 -14.729 13.596 -13.262 1.00 74.35 H new ATOM 0 HD2 LYS A 121 -13.787 13.868 -15.554 1.00 73.01 H new ATOM 0 HD3 LYS A 121 -12.638 12.585 -15.228 1.00 73.01 H new ATOM 0 HE2 LYS A 121 -14.526 11.005 -14.830 1.00 72.33 H new ATOM 0 HE3 LYS A 121 -15.667 12.289 -15.177 1.00 72.33 H new ATOM 0 HZ1 LYS A 121 -15.295 10.902 -17.103 1.00 32.31 H new ATOM 0 HZ2 LYS A 121 -14.735 12.477 -17.403 1.00 32.31 H new ATOM 0 HZ3 LYS A 121 -13.630 11.233 -17.066 1.00 32.31 H new ATOM 1764 N ALA A 122 -11.555 16.744 -11.684 1.00 61.00 N ATOM 1765 CA ALA A 122 -10.480 17.657 -11.403 1.00 54.02 C ATOM 1766 C ALA A 122 -10.874 18.598 -10.285 1.00 13.21 C ATOM 1767 O ALA A 122 -11.645 19.537 -10.495 1.00 20.44 O ATOM 1768 CB ALA A 122 -10.096 18.427 -12.654 1.00 72.44 C ATOM 0 H ALA A 122 -12.291 17.127 -12.278 1.00 61.00 H new ATOM 0 HA ALA A 122 -9.609 17.087 -11.079 1.00 54.02 H new ATOM 0 HB1 ALA A 122 -9.281 19.113 -12.423 1.00 72.44 H new ATOM 0 HB2 ALA A 122 -9.774 17.729 -13.427 1.00 72.44 H new ATOM 0 HB3 ALA A 122 -10.956 18.993 -13.012 1.00 72.44 H new ATOM 1774 N ASP A 123 -10.380 18.326 -9.106 1.00 14.21 N ATOM 1775 CA ASP A 123 -10.689 19.141 -7.941 1.00 73.50 C ATOM 1776 C ASP A 123 -9.463 19.293 -7.041 1.00 63.21 C ATOM 1777 O ASP A 123 -8.871 18.301 -6.613 1.00 54.02 O ATOM 1778 CB ASP A 123 -11.858 18.547 -7.146 1.00 32.41 C ATOM 1779 CG ASP A 123 -12.170 19.357 -5.921 1.00 24.11 C ATOM 1780 OD1 ASP A 123 -12.920 20.335 -6.032 1.00 5.14 O ATOM 1781 OD2 ASP A 123 -11.665 19.027 -4.839 1.00 25.01 O ATOM 0 H ASP A 123 -9.756 17.541 -8.918 1.00 14.21 H new ATOM 0 HA ASP A 123 -10.983 20.128 -8.298 1.00 73.50 H new ATOM 0 HB2 ASP A 123 -12.741 18.496 -7.782 1.00 32.41 H new ATOM 0 HB3 ASP A 123 -11.616 17.525 -6.854 1.00 32.41 H new ATOM 1786 N PRO A 124 -9.052 20.535 -6.751 1.00 0.32 N ATOM 1787 CA PRO A 124 -7.877 20.808 -5.922 1.00 72.55 C ATOM 1788 C PRO A 124 -8.188 20.851 -4.412 1.00 3.01 C ATOM 1789 O PRO A 124 -7.298 21.106 -3.595 1.00 52.35 O ATOM 1790 CB PRO A 124 -7.452 22.191 -6.410 1.00 61.42 C ATOM 1791 CG PRO A 124 -8.737 22.872 -6.768 1.00 11.41 C ATOM 1792 CD PRO A 124 -9.691 21.789 -7.226 1.00 54.13 C ATOM 0 HA PRO A 124 -7.120 20.029 -6.019 1.00 72.55 H new ATOM 0 HB2 PRO A 124 -6.915 22.738 -5.635 1.00 61.42 H new ATOM 0 HB3 PRO A 124 -6.786 22.121 -7.270 1.00 61.42 H new ATOM 0 HG2 PRO A 124 -9.143 23.408 -5.910 1.00 11.41 H new ATOM 0 HG3 PRO A 124 -8.579 23.607 -7.557 1.00 11.41 H new ATOM 0 HD2 PRO A 124 -10.684 21.921 -6.795 1.00 54.13 H new ATOM 0 HD3 PRO A 124 -9.811 21.792 -8.309 1.00 54.13 H new ATOM 1800 N ASP A 125 -9.422 20.591 -4.048 1.00 11.24 N ATOM 1801 CA ASP A 125 -9.841 20.657 -2.651 1.00 2.34 C ATOM 1802 C ASP A 125 -9.779 19.287 -1.987 1.00 70.21 C ATOM 1803 O ASP A 125 -9.479 19.179 -0.806 1.00 21.53 O ATOM 1804 CB ASP A 125 -11.250 21.279 -2.539 1.00 15.43 C ATOM 1805 CG ASP A 125 -11.821 21.275 -1.129 1.00 42.54 C ATOM 1806 OD1 ASP A 125 -11.401 22.110 -0.287 1.00 44.34 O ATOM 1807 OD2 ASP A 125 -12.727 20.466 -0.852 1.00 40.20 O ATOM 0 H ASP A 125 -10.164 20.330 -4.698 1.00 11.24 H new ATOM 0 HA ASP A 125 -9.144 21.302 -2.116 1.00 2.34 H new ATOM 0 HB2 ASP A 125 -11.212 22.306 -2.901 1.00 15.43 H new ATOM 0 HB3 ASP A 125 -11.929 20.735 -3.196 1.00 15.43 H new ATOM 1812 N MET A 126 -10.011 18.243 -2.765 1.00 4.14 N ATOM 1813 CA MET A 126 -9.999 16.854 -2.265 1.00 5.30 C ATOM 1814 C MET A 126 -8.565 16.295 -2.131 1.00 55.21 C ATOM 1815 O MET A 126 -8.371 15.084 -2.033 1.00 61.04 O ATOM 1816 CB MET A 126 -10.799 15.967 -3.220 1.00 52.40 C ATOM 1817 CG MET A 126 -10.234 15.949 -4.619 1.00 24.43 C ATOM 1818 SD MET A 126 -11.177 14.963 -5.786 1.00 31.42 S ATOM 1819 CE MET A 126 -10.175 15.227 -7.233 1.00 51.21 C ATOM 0 H MET A 126 -10.214 18.321 -3.762 1.00 4.14 H new ATOM 0 HA MET A 126 -10.449 16.855 -1.272 1.00 5.30 H new ATOM 0 HB2 MET A 126 -10.821 14.950 -2.830 1.00 52.40 H new ATOM 0 HB3 MET A 126 -11.830 16.318 -3.255 1.00 52.40 H new ATOM 0 HG2 MET A 126 -10.178 16.973 -4.989 1.00 24.43 H new ATOM 0 HG3 MET A 126 -9.214 15.568 -4.581 1.00 24.43 H new ATOM 0 HE1 MET A 126 -10.750 15.777 -7.978 1.00 51.21 H new ATOM 0 HE2 MET A 126 -9.289 15.801 -6.962 1.00 51.21 H new ATOM 0 HE3 MET A 126 -9.872 14.265 -7.646 1.00 51.21 H new ATOM 1829 N PHE A 127 -7.576 17.163 -2.109 1.00 75.13 N ATOM 1830 CA PHE A 127 -6.201 16.714 -1.996 1.00 25.51 C ATOM 1831 C PHE A 127 -5.878 16.380 -0.544 1.00 20.22 C ATOM 1832 O PHE A 127 -5.940 17.249 0.334 1.00 22.12 O ATOM 1833 CB PHE A 127 -5.221 17.766 -2.547 1.00 31.24 C ATOM 1834 CG PHE A 127 -3.778 17.307 -2.550 1.00 25.50 C ATOM 1835 CD1 PHE A 127 -3.279 16.569 -3.611 1.00 23.21 C ATOM 1836 CD2 PHE A 127 -2.929 17.604 -1.492 1.00 32.20 C ATOM 1837 CE1 PHE A 127 -1.968 16.137 -3.620 1.00 14.41 C ATOM 1838 CE2 PHE A 127 -1.617 17.174 -1.495 1.00 14.43 C ATOM 1839 CZ PHE A 127 -1.136 16.439 -2.561 1.00 40.02 C ATOM 0 H PHE A 127 -7.694 18.174 -2.167 1.00 75.13 H new ATOM 0 HA PHE A 127 -6.085 15.813 -2.598 1.00 25.51 H new ATOM 0 HB2 PHE A 127 -5.513 18.025 -3.565 1.00 31.24 H new ATOM 0 HB3 PHE A 127 -5.303 18.675 -1.951 1.00 31.24 H new ATOM 0 HD1 PHE A 127 -3.925 16.328 -4.443 1.00 23.21 H new ATOM 0 HD2 PHE A 127 -3.300 18.179 -0.656 1.00 32.20 H new ATOM 0 HE1 PHE A 127 -1.594 15.563 -4.455 1.00 14.41 H new ATOM 0 HE2 PHE A 127 -0.968 17.412 -0.665 1.00 14.43 H new ATOM 0 HZ PHE A 127 -0.110 16.101 -2.566 1.00 40.02 H new ATOM 1849 N GLY A 128 -5.552 15.131 -0.297 1.00 51.45 N ATOM 1850 CA GLY A 128 -5.228 14.698 1.037 1.00 52.12 C ATOM 1851 C GLY A 128 -4.578 13.364 1.043 1.00 41.00 C ATOM 1852 O GLY A 128 -4.589 12.654 0.024 1.00 31.33 O ATOM 0 H GLY A 128 -5.505 14.399 -1.006 1.00 51.45 H new ATOM 0 HA2 GLY A 128 -4.566 15.427 1.504 1.00 52.12 H new ATOM 0 HA3 GLY A 128 -6.137 14.662 1.638 1.00 52.12 H new ATOM 1856 N GLU A 129 -4.021 13.014 2.165 1.00 44.31 N ATOM 1857 CA GLU A 129 -3.401 11.744 2.369 1.00 14.41 C ATOM 1858 C GLU A 129 -4.166 11.002 3.437 1.00 63.41 C ATOM 1859 O GLU A 129 -4.815 11.612 4.284 1.00 70.12 O ATOM 1860 CB GLU A 129 -1.923 11.862 2.792 1.00 35.42 C ATOM 1861 CG GLU A 129 -1.676 12.473 4.180 1.00 32.20 C ATOM 1862 CD GLU A 129 -2.075 13.922 4.296 1.00 4.14 C ATOM 1863 OE1 GLU A 129 -3.271 14.216 4.545 1.00 55.33 O ATOM 1864 OE2 GLU A 129 -1.198 14.786 4.149 1.00 2.31 O ATOM 0 H GLU A 129 -3.986 13.622 2.983 1.00 44.31 H new ATOM 0 HA GLU A 129 -3.421 11.208 1.420 1.00 14.41 H new ATOM 0 HB2 GLU A 129 -1.476 10.868 2.768 1.00 35.42 H new ATOM 0 HB3 GLU A 129 -1.399 12.465 2.051 1.00 35.42 H new ATOM 0 HG2 GLU A 129 -2.227 11.895 4.922 1.00 32.20 H new ATOM 0 HG3 GLU A 129 -0.618 12.378 4.423 1.00 32.20 H new ATOM 1871 N TRP A 130 -4.136 9.719 3.370 1.00 32.41 N ATOM 1872 CA TRP A 130 -4.773 8.903 4.356 1.00 24.43 C ATOM 1873 C TRP A 130 -3.734 8.701 5.451 1.00 30.45 C ATOM 1874 O TRP A 130 -2.529 8.759 5.154 1.00 61.13 O ATOM 1875 CB TRP A 130 -5.110 7.565 3.716 1.00 3.34 C ATOM 1876 CG TRP A 130 -6.498 7.080 3.925 1.00 31.15 C ATOM 1877 CD1 TRP A 130 -7.610 7.833 4.155 1.00 4.53 C ATOM 1878 CD2 TRP A 130 -6.938 5.723 3.854 1.00 72.30 C ATOM 1879 NE1 TRP A 130 -8.700 7.026 4.262 1.00 61.04 N ATOM 1880 CE2 TRP A 130 -8.321 5.725 4.081 1.00 50.30 C ATOM 1881 CE3 TRP A 130 -6.292 4.504 3.630 1.00 15.32 C ATOM 1882 CZ2 TRP A 130 -9.078 4.557 4.092 1.00 35.10 C ATOM 1883 CZ3 TRP A 130 -7.042 3.345 3.640 1.00 1.24 C ATOM 1884 CH2 TRP A 130 -8.421 3.379 3.868 1.00 24.14 C ATOM 0 H TRP A 130 -3.668 9.198 2.629 1.00 32.41 H new ATOM 0 HA TRP A 130 -5.686 9.348 4.751 1.00 24.43 H new ATOM 0 HB2 TRP A 130 -4.929 7.641 2.644 1.00 3.34 H new ATOM 0 HB3 TRP A 130 -4.421 6.815 4.103 1.00 3.34 H new ATOM 0 HD1 TRP A 130 -7.624 8.910 4.240 1.00 4.53 H new ATOM 0 HE1 TRP A 130 -9.652 7.342 4.448 1.00 61.04 H new ATOM 0 HE3 TRP A 130 -5.227 4.469 3.453 1.00 15.32 H new ATOM 0 HZ2 TRP A 130 -10.143 4.580 4.271 1.00 35.10 H new ATOM 0 HZ3 TRP A 130 -6.555 2.396 3.469 1.00 1.24 H new ATOM 0 HH2 TRP A 130 -8.979 2.455 3.867 1.00 24.14 H new ATOM 1895 N ASN A 131 -4.145 8.473 6.674 1.00 61.32 N ATOM 1896 CA ASN A 131 -3.179 8.284 7.771 1.00 14.52 C ATOM 1897 C ASN A 131 -2.265 7.086 7.521 1.00 44.54 C ATOM 1898 O ASN A 131 -1.078 7.108 7.868 1.00 13.00 O ATOM 1899 CB ASN A 131 -3.863 8.193 9.139 1.00 40.34 C ATOM 1900 CG ASN A 131 -4.510 9.501 9.558 1.00 33.24 C ATOM 1901 OD1 ASN A 131 -5.675 9.765 9.261 1.00 3.24 O ATOM 1902 ND2 ASN A 131 -3.767 10.331 10.244 1.00 34.31 N ATOM 0 H ASN A 131 -5.125 8.411 6.951 1.00 61.32 H new ATOM 0 HA ASN A 131 -2.552 9.175 7.790 1.00 14.52 H new ATOM 0 HB2 ASN A 131 -4.621 7.410 9.110 1.00 40.34 H new ATOM 0 HB3 ASN A 131 -3.129 7.899 9.889 1.00 40.34 H new ATOM 0 HD21 ASN A 131 -4.150 11.226 10.548 1.00 34.31 H new ATOM 0 HD22 ASN A 131 -2.805 10.083 10.474 1.00 34.31 H new ATOM 1909 N PHE A 132 -2.813 6.060 6.892 1.00 73.11 N ATOM 1910 CA PHE A 132 -2.088 4.904 6.517 1.00 31.13 C ATOM 1911 C PHE A 132 -1.168 5.206 5.316 1.00 11.14 C ATOM 1912 O PHE A 132 -0.073 4.665 5.202 1.00 65.32 O ATOM 1913 CB PHE A 132 -3.106 3.810 6.213 1.00 23.42 C ATOM 1914 CG PHE A 132 -2.588 2.647 5.474 1.00 1.42 C ATOM 1915 CD1 PHE A 132 -1.969 1.600 6.115 1.00 52.20 C ATOM 1916 CD2 PHE A 132 -2.741 2.613 4.126 1.00 62.21 C ATOM 1917 CE1 PHE A 132 -1.502 0.517 5.395 1.00 53.31 C ATOM 1918 CE2 PHE A 132 -2.282 1.545 3.382 1.00 13.40 C ATOM 1919 CZ PHE A 132 -1.660 0.488 4.019 1.00 41.40 C ATOM 0 H PHE A 132 -3.799 6.028 6.631 1.00 73.11 H new ATOM 0 HA PHE A 132 -1.431 4.571 7.320 1.00 31.13 H new ATOM 0 HB2 PHE A 132 -3.529 3.460 7.155 1.00 23.42 H new ATOM 0 HB3 PHE A 132 -3.923 4.248 5.639 1.00 23.42 H new ATOM 0 HD1 PHE A 132 -1.847 1.624 7.188 1.00 52.20 H new ATOM 0 HD2 PHE A 132 -3.231 3.436 3.627 1.00 62.21 H new ATOM 0 HE1 PHE A 132 -1.016 -0.303 5.903 1.00 53.31 H new ATOM 0 HE2 PHE A 132 -2.408 1.535 2.309 1.00 13.40 H new ATOM 0 HZ PHE A 132 -1.300 -0.355 3.448 1.00 41.40 H new ATOM 1929 N GLU A 133 -1.616 6.103 4.449 1.00 70.50 N ATOM 1930 CA GLU A 133 -0.867 6.456 3.249 1.00 2.12 C ATOM 1931 C GLU A 133 0.414 7.173 3.549 1.00 54.44 C ATOM 1932 O GLU A 133 1.408 7.009 2.823 1.00 71.30 O ATOM 1933 CB GLU A 133 -1.698 7.263 2.284 1.00 31.33 C ATOM 1934 CG GLU A 133 -2.816 6.478 1.676 1.00 50.25 C ATOM 1935 CD GLU A 133 -2.315 5.269 0.969 1.00 54.23 C ATOM 1936 OE1 GLU A 133 -1.364 5.401 0.194 1.00 2.20 O ATOM 1937 OE2 GLU A 133 -2.897 4.194 1.135 1.00 72.24 O ATOM 0 H GLU A 133 -2.499 6.602 4.554 1.00 70.50 H new ATOM 0 HA GLU A 133 -0.609 5.508 2.778 1.00 2.12 H new ATOM 0 HB2 GLU A 133 -2.110 8.128 2.803 1.00 31.33 H new ATOM 0 HB3 GLU A 133 -1.055 7.644 1.490 1.00 31.33 H new ATOM 0 HG2 GLU A 133 -3.518 6.180 2.455 1.00 50.25 H new ATOM 0 HG3 GLU A 133 -3.365 7.108 0.976 1.00 50.25 H new ATOM 1944 N GLU A 134 0.408 7.964 4.603 1.00 34.53 N ATOM 1945 CA GLU A 134 1.606 8.653 5.008 1.00 30.20 C ATOM 1946 C GLU A 134 2.639 7.604 5.427 1.00 11.30 C ATOM 1947 O GLU A 134 3.811 7.661 5.047 1.00 62.02 O ATOM 1948 CB GLU A 134 1.309 9.635 6.166 1.00 23.20 C ATOM 1949 CG GLU A 134 2.491 10.530 6.548 1.00 3.41 C ATOM 1950 CD GLU A 134 2.909 11.454 5.415 1.00 14.24 C ATOM 1951 OE1 GLU A 134 3.379 10.970 4.390 1.00 62.22 O ATOM 1952 OE2 GLU A 134 2.736 12.684 5.521 1.00 21.51 O ATOM 0 H GLU A 134 -0.409 8.142 5.188 1.00 34.53 H new ATOM 0 HA GLU A 134 1.996 9.244 4.180 1.00 30.20 H new ATOM 0 HB2 GLU A 134 0.466 10.266 5.885 1.00 23.20 H new ATOM 0 HB3 GLU A 134 1.002 9.064 7.042 1.00 23.20 H new ATOM 0 HG2 GLU A 134 2.224 11.127 7.420 1.00 3.41 H new ATOM 0 HG3 GLU A 134 3.337 9.906 6.835 1.00 3.41 H new ATOM 1959 N TRP A 135 2.163 6.598 6.138 1.00 61.14 N ATOM 1960 CA TRP A 135 3.007 5.541 6.615 1.00 42.14 C ATOM 1961 C TRP A 135 3.514 4.633 5.491 1.00 32.33 C ATOM 1962 O TRP A 135 4.619 4.121 5.584 1.00 2.41 O ATOM 1963 CB TRP A 135 2.329 4.728 7.737 1.00 3.52 C ATOM 1964 CG TRP A 135 3.142 3.544 8.201 1.00 41.24 C ATOM 1965 CD1 TRP A 135 2.839 2.227 8.028 1.00 52.30 C ATOM 1966 CD2 TRP A 135 4.413 3.572 8.877 1.00 45.41 C ATOM 1967 NE1 TRP A 135 3.823 1.442 8.570 1.00 72.23 N ATOM 1968 CE2 TRP A 135 4.796 2.237 9.094 1.00 24.30 C ATOM 1969 CE3 TRP A 135 5.252 4.591 9.325 1.00 21.44 C ATOM 1970 CZ2 TRP A 135 5.983 1.896 9.732 1.00 5.15 C ATOM 1971 CZ3 TRP A 135 6.433 4.249 9.956 1.00 23.41 C ATOM 1972 CH2 TRP A 135 6.785 2.912 10.155 1.00 35.34 C ATOM 0 H TRP A 135 1.181 6.499 6.396 1.00 61.14 H new ATOM 0 HA TRP A 135 3.886 6.024 7.043 1.00 42.14 H new ATOM 0 HB2 TRP A 135 2.141 5.384 8.587 1.00 3.52 H new ATOM 0 HB3 TRP A 135 1.359 4.377 7.384 1.00 3.52 H new ATOM 0 HD1 TRP A 135 1.952 1.856 7.535 1.00 52.30 H new ATOM 0 HE1 TRP A 135 3.826 0.422 8.579 1.00 72.23 H new ATOM 0 HE3 TRP A 135 4.984 5.627 9.182 1.00 21.44 H new ATOM 0 HZ2 TRP A 135 6.259 0.863 9.887 1.00 5.15 H new ATOM 0 HZ3 TRP A 135 7.095 5.029 10.301 1.00 23.41 H new ATOM 0 HH2 TRP A 135 7.713 2.679 10.655 1.00 35.34 H new ATOM 1983 N LYS A 136 2.741 4.443 4.413 1.00 53.34 N ATOM 1984 CA LYS A 136 3.215 3.549 3.358 1.00 60.12 C ATOM 1985 C LYS A 136 4.523 4.031 2.728 1.00 41.24 C ATOM 1986 O LYS A 136 5.396 3.226 2.407 1.00 41.04 O ATOM 1987 CB LYS A 136 2.123 3.092 2.313 1.00 4.11 C ATOM 1988 CG LYS A 136 1.485 4.139 1.366 1.00 20.22 C ATOM 1989 CD LYS A 136 2.478 4.723 0.356 1.00 30.35 C ATOM 1990 CE LYS A 136 1.791 5.571 -0.718 1.00 1.02 C ATOM 1991 NZ LYS A 136 0.925 6.622 -0.158 1.00 31.43 N ATOM 0 H LYS A 136 1.830 4.874 4.254 1.00 53.34 H new ATOM 0 HA LYS A 136 3.450 2.617 3.873 1.00 60.12 H new ATOM 0 HB2 LYS A 136 2.572 2.319 1.689 1.00 4.11 H new ATOM 0 HB3 LYS A 136 1.314 2.621 2.871 1.00 4.11 H new ATOM 0 HG2 LYS A 136 0.658 3.676 0.827 1.00 20.22 H new ATOM 0 HG3 LYS A 136 1.064 4.949 1.961 1.00 20.22 H new ATOM 0 HD2 LYS A 136 3.211 5.334 0.883 1.00 30.35 H new ATOM 0 HD3 LYS A 136 3.025 3.911 -0.122 1.00 30.35 H new ATOM 0 HE2 LYS A 136 2.551 6.032 -1.349 1.00 1.02 H new ATOM 0 HE3 LYS A 136 1.195 4.921 -1.359 1.00 1.02 H new ATOM 0 HZ1 LYS A 136 1.093 7.516 -0.663 1.00 31.43 H new ATOM 0 HZ2 LYS A 136 -0.072 6.345 -0.266 1.00 31.43 H new ATOM 0 HZ3 LYS A 136 1.141 6.749 0.851 1.00 31.43 H new ATOM 2005 N ARG A 137 4.677 5.344 2.580 1.00 50.22 N ATOM 2006 CA ARG A 137 5.933 5.873 2.068 1.00 33.20 C ATOM 2007 C ARG A 137 7.022 5.840 3.131 1.00 52.23 C ATOM 2008 O ARG A 137 8.192 5.697 2.823 1.00 53.35 O ATOM 2009 CB ARG A 137 5.815 7.240 1.393 1.00 63.01 C ATOM 2010 CG ARG A 137 5.292 8.363 2.245 1.00 60.42 C ATOM 2011 CD ARG A 137 5.300 9.646 1.443 1.00 34.22 C ATOM 2012 NE ARG A 137 4.722 10.761 2.166 1.00 45.40 N ATOM 2013 CZ ARG A 137 4.645 12.009 1.718 1.00 32.12 C ATOM 2014 NH1 ARG A 137 5.233 12.360 0.569 1.00 55.34 N ATOM 2015 NH2 ARG A 137 4.006 12.907 2.442 1.00 54.22 N ATOM 0 H ARG A 137 3.968 6.043 2.801 1.00 50.22 H new ATOM 0 HA ARG A 137 6.230 5.200 1.263 1.00 33.20 H new ATOM 0 HB2 ARG A 137 6.800 7.523 1.021 1.00 63.01 H new ATOM 0 HB3 ARG A 137 5.163 7.137 0.525 1.00 63.01 H new ATOM 0 HG2 ARG A 137 4.280 8.138 2.582 1.00 60.42 H new ATOM 0 HG3 ARG A 137 5.908 8.475 3.137 1.00 60.42 H new ATOM 0 HD2 ARG A 137 6.326 9.890 1.166 1.00 34.22 H new ATOM 0 HD3 ARG A 137 4.747 9.494 0.516 1.00 34.22 H new ATOM 0 HE ARG A 137 4.344 10.572 3.094 1.00 45.40 H new ATOM 0 HH11 ARG A 137 5.747 11.666 0.027 1.00 55.34 H new ATOM 0 HH12 ARG A 137 5.167 13.322 0.235 1.00 55.34 H new ATOM 0 HH21 ARG A 137 3.581 12.638 3.330 1.00 54.22 H new ATOM 0 HH22 ARG A 137 3.936 13.870 2.114 1.00 54.22 H new ATOM 2029 N LEU A 138 6.622 5.958 4.383 1.00 22.13 N ATOM 2030 CA LEU A 138 7.558 5.873 5.496 1.00 32.14 C ATOM 2031 C LEU A 138 8.044 4.431 5.662 1.00 73.03 C ATOM 2032 O LEU A 138 9.125 4.179 6.170 1.00 44.40 O ATOM 2033 CB LEU A 138 6.916 6.389 6.774 1.00 65.21 C ATOM 2034 CG LEU A 138 6.438 7.840 6.724 1.00 64.34 C ATOM 2035 CD1 LEU A 138 5.818 8.249 8.042 1.00 13.35 C ATOM 2036 CD2 LEU A 138 7.580 8.768 6.349 1.00 24.21 C ATOM 0 H LEU A 138 5.652 6.114 4.659 1.00 22.13 H new ATOM 0 HA LEU A 138 8.422 6.502 5.282 1.00 32.14 H new ATOM 0 HB2 LEU A 138 6.066 5.752 7.017 1.00 65.21 H new ATOM 0 HB3 LEU A 138 7.633 6.288 7.588 1.00 65.21 H new ATOM 0 HG LEU A 138 5.670 7.919 5.954 1.00 64.34 H new ATOM 0 HD11 LEU A 138 5.486 9.285 7.982 1.00 13.35 H new ATOM 0 HD12 LEU A 138 4.965 7.606 8.258 1.00 13.35 H new ATOM 0 HD13 LEU A 138 6.557 8.151 8.838 1.00 13.35 H new ATOM 0 HD21 LEU A 138 7.219 9.796 6.319 1.00 24.21 H new ATOM 0 HD22 LEU A 138 8.375 8.684 7.090 1.00 24.21 H new ATOM 0 HD23 LEU A 138 7.967 8.491 5.369 1.00 24.21 H new ATOM 2048 N HIS A 139 7.220 3.498 5.236 1.00 63.05 N ATOM 2049 CA HIS A 139 7.600 2.089 5.174 1.00 50.43 C ATOM 2050 C HIS A 139 8.569 1.907 4.005 1.00 3.32 C ATOM 2051 O HIS A 139 9.550 1.164 4.092 1.00 45.43 O ATOM 2052 CB HIS A 139 6.350 1.198 4.980 1.00 42.22 C ATOM 2053 CG HIS A 139 6.645 -0.277 4.863 1.00 53.20 C ATOM 2054 ND1 HIS A 139 6.628 -0.959 3.665 1.00 32.04 N ATOM 2055 CD2 HIS A 139 6.952 -1.195 5.805 1.00 21.51 C ATOM 2056 CE1 HIS A 139 6.908 -2.223 3.878 1.00 24.15 C ATOM 2057 NE2 HIS A 139 7.110 -2.393 5.165 1.00 4.42 N ATOM 0 H HIS A 139 6.268 3.686 4.922 1.00 63.05 H new ATOM 0 HA HIS A 139 8.078 1.792 6.107 1.00 50.43 H new ATOM 0 HB2 HIS A 139 5.674 1.355 5.820 1.00 42.22 H new ATOM 0 HB3 HIS A 139 5.824 1.523 4.082 1.00 42.22 H new ATOM 0 HD2 HIS A 139 7.054 -1.016 6.865 1.00 21.51 H new ATOM 0 HE1 HIS A 139 6.963 -2.993 3.123 1.00 24.15 H new ATOM 0 HE2 HIS A 139 7.347 -3.277 5.615 1.00 4.42 H new ATOM 2066 N LYS A 140 8.274 2.614 2.930 1.00 1.43 N ATOM 2067 CA LYS A 140 9.092 2.647 1.725 1.00 55.13 C ATOM 2068 C LYS A 140 10.474 3.228 2.036 1.00 52.35 C ATOM 2069 O LYS A 140 11.441 2.872 1.412 1.00 53.51 O ATOM 2070 CB LYS A 140 8.381 3.425 0.581 1.00 12.40 C ATOM 2071 CG LYS A 140 9.119 3.419 -0.769 1.00 12.54 C ATOM 2072 CD LYS A 140 8.312 4.133 -1.859 1.00 21.11 C ATOM 2073 CE LYS A 140 8.991 4.016 -3.229 1.00 62.33 C ATOM 2074 NZ LYS A 140 8.269 4.763 -4.289 1.00 12.52 N ATOM 0 H LYS A 140 7.439 3.197 2.866 1.00 1.43 H new ATOM 0 HA LYS A 140 9.230 1.625 1.373 1.00 55.13 H new ATOM 0 HB2 LYS A 140 7.388 3.000 0.436 1.00 12.40 H new ATOM 0 HB3 LYS A 140 8.242 4.459 0.897 1.00 12.40 H new ATOM 0 HG2 LYS A 140 10.088 3.905 -0.656 1.00 12.54 H new ATOM 0 HG3 LYS A 140 9.312 2.390 -1.074 1.00 12.54 H new ATOM 0 HD2 LYS A 140 7.311 3.706 -1.910 1.00 21.11 H new ATOM 0 HD3 LYS A 140 8.197 5.185 -1.598 1.00 21.11 H new ATOM 0 HE2 LYS A 140 10.012 4.390 -3.157 1.00 62.33 H new ATOM 0 HE3 LYS A 140 9.055 2.965 -3.510 1.00 62.33 H new ATOM 0 HZ1 LYS A 140 8.769 4.651 -5.194 1.00 12.52 H new ATOM 0 HZ2 LYS A 140 7.302 4.391 -4.379 1.00 12.52 H new ATOM 0 HZ3 LYS A 140 8.229 5.771 -4.038 1.00 12.52 H new ATOM 2088 N LYS A 141 10.526 4.137 3.024 1.00 33.43 N ATOM 2089 CA LYS A 141 11.753 4.861 3.434 1.00 73.42 C ATOM 2090 C LYS A 141 12.976 3.932 3.597 1.00 41.43 C ATOM 2091 O LYS A 141 14.073 4.305 3.213 1.00 54.04 O ATOM 2092 CB LYS A 141 11.498 5.626 4.758 1.00 11.00 C ATOM 2093 CG LYS A 141 12.701 6.396 5.326 1.00 24.05 C ATOM 2094 CD LYS A 141 13.145 7.537 4.415 1.00 23.24 C ATOM 2095 CE LYS A 141 14.387 8.248 4.963 1.00 1.15 C ATOM 2096 NZ LYS A 141 14.180 8.813 6.320 1.00 55.24 N ATOM 0 H LYS A 141 9.706 4.397 3.572 1.00 33.43 H new ATOM 0 HA LYS A 141 11.988 5.561 2.632 1.00 73.42 H new ATOM 0 HB2 LYS A 141 10.682 6.331 4.597 1.00 11.00 H new ATOM 0 HB3 LYS A 141 11.160 4.912 5.509 1.00 11.00 H new ATOM 0 HG2 LYS A 141 12.442 6.797 6.306 1.00 24.05 H new ATOM 0 HG3 LYS A 141 13.533 5.707 5.473 1.00 24.05 H new ATOM 0 HD2 LYS A 141 13.358 7.146 3.420 1.00 23.24 H new ATOM 0 HD3 LYS A 141 12.332 8.255 4.308 1.00 23.24 H new ATOM 0 HE2 LYS A 141 15.219 7.544 4.991 1.00 1.15 H new ATOM 0 HE3 LYS A 141 14.671 9.050 4.281 1.00 1.15 H new ATOM 0 HZ1 LYS A 141 15.001 9.395 6.583 1.00 55.24 H new ATOM 0 HZ2 LYS A 141 13.323 9.402 6.324 1.00 55.24 H new ATOM 0 HZ3 LYS A 141 14.071 8.039 7.006 1.00 55.24 H new ATOM 2110 N LYS A 142 12.776 2.728 4.132 1.00 50.14 N ATOM 2111 CA LYS A 142 13.884 1.761 4.292 1.00 1.25 C ATOM 2112 C LYS A 142 14.478 1.417 2.925 1.00 72.53 C ATOM 2113 O LYS A 142 15.693 1.316 2.749 1.00 13.40 O ATOM 2114 CB LYS A 142 13.371 0.475 4.946 1.00 10.12 C ATOM 2115 CG LYS A 142 14.468 -0.546 5.265 1.00 24.35 C ATOM 2116 CD LYS A 142 13.920 -1.771 6.000 1.00 50.14 C ATOM 2117 CE LYS A 142 13.340 -1.410 7.372 1.00 70.22 C ATOM 2118 NZ LYS A 142 14.357 -0.825 8.273 1.00 44.43 N ATOM 0 H LYS A 142 11.871 2.393 4.462 1.00 50.14 H new ATOM 0 HA LYS A 142 14.649 2.213 4.924 1.00 1.25 H new ATOM 0 HB2 LYS A 142 12.850 0.732 5.868 1.00 10.12 H new ATOM 0 HB3 LYS A 142 12.639 0.011 4.285 1.00 10.12 H new ATOM 0 HG2 LYS A 142 14.947 -0.864 4.339 1.00 24.35 H new ATOM 0 HG3 LYS A 142 15.237 -0.072 5.875 1.00 24.35 H new ATOM 0 HD2 LYS A 142 13.147 -2.241 5.393 1.00 50.14 H new ATOM 0 HD3 LYS A 142 14.717 -2.504 6.125 1.00 50.14 H new ATOM 0 HE2 LYS A 142 12.521 -0.702 7.243 1.00 70.22 H new ATOM 0 HE3 LYS A 142 12.920 -2.304 7.833 1.00 70.22 H new ATOM 0 HZ1 LYS A 142 13.969 -0.754 9.235 1.00 44.43 H new ATOM 0 HZ2 LYS A 142 15.201 -1.432 8.285 1.00 44.43 H new ATOM 0 HZ3 LYS A 142 14.617 0.123 7.934 1.00 44.43 H new ATOM 2132 N PHE A 143 13.603 1.271 1.980 1.00 20.52 N ATOM 2133 CA PHE A 143 13.934 0.908 0.630 1.00 14.33 C ATOM 2134 C PHE A 143 14.506 2.160 -0.072 1.00 23.12 C ATOM 2135 O PHE A 143 15.407 2.085 -0.916 1.00 40.13 O ATOM 2136 CB PHE A 143 12.630 0.442 -0.031 1.00 61.23 C ATOM 2137 CG PHE A 143 12.785 -0.458 -1.198 1.00 44.00 C ATOM 2138 CD1 PHE A 143 13.047 -1.793 -0.985 1.00 73.32 C ATOM 2139 CD2 PHE A 143 12.650 0.003 -2.489 1.00 72.24 C ATOM 2140 CE1 PHE A 143 13.182 -2.666 -2.045 1.00 52.23 C ATOM 2141 CE2 PHE A 143 12.779 -0.863 -3.558 1.00 74.41 C ATOM 2142 CZ PHE A 143 13.046 -2.198 -3.337 1.00 44.33 C ATOM 0 H PHE A 143 12.603 1.405 2.128 1.00 20.52 H new ATOM 0 HA PHE A 143 14.677 0.113 0.573 1.00 14.33 H new ATOM 0 HB2 PHE A 143 12.026 -0.068 0.720 1.00 61.23 H new ATOM 0 HB3 PHE A 143 12.070 1.322 -0.347 1.00 61.23 H new ATOM 0 HD1 PHE A 143 13.148 -2.162 0.025 1.00 73.32 H new ATOM 0 HD2 PHE A 143 12.442 1.048 -2.667 1.00 72.24 H new ATOM 0 HE1 PHE A 143 13.393 -3.710 -1.865 1.00 52.23 H new ATOM 0 HE2 PHE A 143 12.671 -0.494 -4.567 1.00 74.41 H new ATOM 0 HZ PHE A 143 13.148 -2.875 -4.172 1.00 44.33 H new ATOM 2152 N ILE A 144 13.981 3.312 0.335 1.00 20.23 N ATOM 2153 CA ILE A 144 14.390 4.616 -0.168 1.00 21.11 C ATOM 2154 C ILE A 144 15.827 4.939 0.220 1.00 43.25 C ATOM 2155 O ILE A 144 16.523 5.605 -0.521 1.00 14.53 O ATOM 2156 CB ILE A 144 13.441 5.758 0.304 1.00 53.53 C ATOM 2157 CG1 ILE A 144 12.021 5.525 -0.175 1.00 14.44 C ATOM 2158 CG2 ILE A 144 13.909 7.098 -0.200 1.00 22.24 C ATOM 2159 CD1 ILE A 144 11.885 5.484 -1.683 1.00 13.43 C ATOM 0 H ILE A 144 13.244 3.364 1.038 1.00 20.23 H new ATOM 0 HA ILE A 144 14.326 4.556 -1.254 1.00 21.11 H new ATOM 0 HB ILE A 144 13.460 5.755 1.394 1.00 53.53 H new ATOM 0 HG12 ILE A 144 11.657 4.585 0.239 1.00 14.44 H new ATOM 0 HG13 ILE A 144 11.381 6.315 0.217 1.00 14.44 H new ATOM 0 HG21 ILE A 144 13.227 7.875 0.145 1.00 22.24 H new ATOM 0 HG22 ILE A 144 14.911 7.300 0.179 1.00 22.24 H new ATOM 0 HG23 ILE A 144 13.928 7.090 -1.290 1.00 22.24 H new ATOM 0 HD11 ILE A 144 10.842 5.314 -1.950 1.00 13.43 H new ATOM 0 HD12 ILE A 144 12.217 6.433 -2.104 1.00 13.43 H new ATOM 0 HD13 ILE A 144 12.498 4.676 -2.082 1.00 13.43 H new ATOM 2171 N GLU A 145 16.266 4.468 1.387 1.00 11.13 N ATOM 2172 CA GLU A 145 17.653 4.690 1.827 1.00 4.03 C ATOM 2173 C GLU A 145 18.631 4.178 0.762 1.00 10.12 C ATOM 2174 O GLU A 145 19.715 4.725 0.573 1.00 53.45 O ATOM 2175 CB GLU A 145 17.924 4.000 3.163 1.00 11.44 C ATOM 2176 CG GLU A 145 16.986 4.425 4.278 1.00 1.52 C ATOM 2177 CD GLU A 145 17.318 3.791 5.601 1.00 31.13 C ATOM 2178 OE1 GLU A 145 17.147 2.561 5.757 1.00 24.33 O ATOM 2179 OE2 GLU A 145 17.727 4.519 6.524 1.00 5.15 O ATOM 0 H GLU A 145 15.693 3.936 2.042 1.00 11.13 H new ATOM 0 HA GLU A 145 17.799 5.762 1.963 1.00 4.03 H new ATOM 0 HB2 GLU A 145 17.844 2.922 3.026 1.00 11.44 H new ATOM 0 HB3 GLU A 145 18.950 4.208 3.466 1.00 11.44 H new ATOM 0 HG2 GLU A 145 17.022 5.509 4.382 1.00 1.52 H new ATOM 0 HG3 GLU A 145 15.964 4.165 4.004 1.00 1.52 H new ATOM 2186 N THR A 146 18.225 3.140 0.068 1.00 51.32 N ATOM 2187 CA THR A 146 18.988 2.610 -1.018 1.00 54.44 C ATOM 2188 C THR A 146 18.750 3.467 -2.280 1.00 61.14 C ATOM 2189 O THR A 146 19.695 3.892 -2.956 1.00 15.45 O ATOM 2190 CB THR A 146 18.575 1.153 -1.278 1.00 40.10 C ATOM 2191 OG1 THR A 146 18.686 0.418 -0.045 1.00 2.34 O ATOM 2192 CG2 THR A 146 19.470 0.511 -2.330 1.00 5.33 C ATOM 0 H THR A 146 17.352 2.644 0.248 1.00 51.32 H new ATOM 0 HA THR A 146 20.048 2.635 -0.767 1.00 54.44 H new ATOM 0 HB THR A 146 17.549 1.135 -1.646 1.00 40.10 H new ATOM 0 HG1 THR A 146 18.424 -0.514 -0.195 1.00 2.34 H new ATOM 0 HG21 THR A 146 19.156 -0.520 -2.495 1.00 5.33 H new ATOM 0 HG22 THR A 146 19.391 1.068 -3.264 1.00 5.33 H new ATOM 0 HG23 THR A 146 20.504 0.525 -1.985 1.00 5.33 H new ATOM 2200 N PHE A 147 17.485 3.753 -2.557 1.00 11.12 N ATOM 2201 CA PHE A 147 17.101 4.529 -3.725 1.00 65.20 C ATOM 2202 C PHE A 147 17.583 5.958 -3.761 1.00 52.34 C ATOM 2203 O PHE A 147 17.812 6.475 -4.828 1.00 22.52 O ATOM 2204 CB PHE A 147 15.637 4.381 -4.105 1.00 51.51 C ATOM 2205 CG PHE A 147 15.402 3.175 -4.943 1.00 72.35 C ATOM 2206 CD1 PHE A 147 15.287 1.917 -4.385 1.00 1.35 C ATOM 2207 CD2 PHE A 147 15.334 3.304 -6.316 1.00 61.43 C ATOM 2208 CE1 PHE A 147 15.097 0.809 -5.191 1.00 34.44 C ATOM 2209 CE2 PHE A 147 15.150 2.211 -7.122 1.00 53.53 C ATOM 2210 CZ PHE A 147 15.029 0.957 -6.563 1.00 72.31 C ATOM 0 H PHE A 147 16.699 3.454 -1.979 1.00 11.12 H new ATOM 0 HA PHE A 147 17.672 4.053 -4.522 1.00 65.20 H new ATOM 0 HB2 PHE A 147 15.032 4.319 -3.201 1.00 51.51 H new ATOM 0 HB3 PHE A 147 15.311 5.269 -4.647 1.00 51.51 H new ATOM 0 HD1 PHE A 147 15.346 1.798 -3.313 1.00 1.35 H new ATOM 0 HD2 PHE A 147 15.427 4.283 -6.762 1.00 61.43 H new ATOM 0 HE1 PHE A 147 15.002 -0.171 -4.748 1.00 34.44 H new ATOM 0 HE2 PHE A 147 15.100 2.332 -8.194 1.00 53.53 H new ATOM 0 HZ PHE A 147 14.882 0.094 -7.195 1.00 72.31 H new ATOM 2220 N LYS A 148 17.741 6.595 -2.622 1.00 64.20 N ATOM 2221 CA LYS A 148 18.295 7.942 -2.591 1.00 31.51 C ATOM 2222 C LYS A 148 19.682 7.992 -3.205 1.00 44.22 C ATOM 2223 O LYS A 148 20.003 8.915 -3.951 1.00 51.04 O ATOM 2224 CB LYS A 148 18.291 8.555 -1.189 1.00 13.25 C ATOM 2225 CG LYS A 148 16.963 9.164 -0.773 1.00 35.10 C ATOM 2226 CD LYS A 148 16.628 10.376 -1.642 1.00 35.04 C ATOM 2227 CE LYS A 148 15.345 11.071 -1.203 1.00 33.10 C ATOM 2228 NZ LYS A 148 14.156 10.197 -1.313 1.00 55.42 N ATOM 0 H LYS A 148 17.498 6.211 -1.709 1.00 64.20 H new ATOM 0 HA LYS A 148 17.633 8.555 -3.203 1.00 31.51 H new ATOM 0 HB2 LYS A 148 18.565 7.785 -0.468 1.00 13.25 H new ATOM 0 HB3 LYS A 148 19.061 9.325 -1.140 1.00 13.25 H new ATOM 0 HG2 LYS A 148 16.172 8.419 -0.860 1.00 35.10 H new ATOM 0 HG3 LYS A 148 17.006 9.462 0.275 1.00 35.10 H new ATOM 0 HD2 LYS A 148 17.454 11.086 -1.603 1.00 35.04 H new ATOM 0 HD3 LYS A 148 16.529 10.059 -2.680 1.00 35.04 H new ATOM 0 HE2 LYS A 148 15.452 11.404 -0.171 1.00 33.10 H new ATOM 0 HE3 LYS A 148 15.193 11.963 -1.811 1.00 33.10 H new ATOM 0 HZ1 LYS A 148 13.434 10.665 -1.898 1.00 55.42 H new ATOM 0 HZ2 LYS A 148 14.428 9.295 -1.754 1.00 55.42 H new ATOM 0 HZ3 LYS A 148 13.769 10.016 -0.365 1.00 55.42 H new ATOM 2242 N LYS A 149 20.475 6.962 -2.943 1.00 1.32 N ATOM 2243 CA LYS A 149 21.822 6.877 -3.483 1.00 45.11 C ATOM 2244 C LYS A 149 21.743 6.605 -4.978 1.00 64.53 C ATOM 2245 O LYS A 149 22.575 7.072 -5.765 1.00 33.14 O ATOM 2246 CB LYS A 149 22.614 5.768 -2.785 1.00 24.53 C ATOM 2247 CG LYS A 149 22.727 5.938 -1.277 1.00 64.40 C ATOM 2248 CD LYS A 149 23.519 4.802 -0.655 1.00 63.13 C ATOM 2249 CE LYS A 149 23.616 4.939 0.862 1.00 54.34 C ATOM 2250 NZ LYS A 149 22.292 4.897 1.520 1.00 33.31 N ATOM 0 H LYS A 149 20.206 6.171 -2.357 1.00 1.32 H new ATOM 0 HA LYS A 149 22.338 7.821 -3.309 1.00 45.11 H new ATOM 0 HB2 LYS A 149 22.140 4.810 -2.997 1.00 24.53 H new ATOM 0 HB3 LYS A 149 23.616 5.729 -3.211 1.00 24.53 H new ATOM 0 HG2 LYS A 149 23.210 6.888 -1.051 1.00 64.40 H new ATOM 0 HG3 LYS A 149 21.731 5.974 -0.837 1.00 64.40 H new ATOM 0 HD2 LYS A 149 23.047 3.852 -0.904 1.00 63.13 H new ATOM 0 HD3 LYS A 149 24.521 4.782 -1.082 1.00 63.13 H new ATOM 0 HE2 LYS A 149 24.240 4.137 1.257 1.00 54.34 H new ATOM 0 HE3 LYS A 149 24.111 5.879 1.108 1.00 54.34 H new ATOM 0 HZ1 LYS A 149 22.090 5.821 1.954 1.00 33.31 H new ATOM 0 HZ2 LYS A 149 21.560 4.679 0.814 1.00 33.31 H new ATOM 0 HZ3 LYS A 149 22.293 4.162 2.256 1.00 33.31 H new ATOM 2264 N ILE A 150 20.718 5.856 -5.367 1.00 43.21 N ATOM 2265 CA ILE A 150 20.472 5.552 -6.762 1.00 33.51 C ATOM 2266 C ILE A 150 20.013 6.825 -7.480 1.00 40.30 C ATOM 2267 O ILE A 150 20.423 7.093 -8.597 1.00 11.52 O ATOM 2268 CB ILE A 150 19.409 4.421 -6.924 1.00 73.52 C ATOM 2269 CG1 ILE A 150 19.881 3.162 -6.178 1.00 65.45 C ATOM 2270 CG2 ILE A 150 19.178 4.105 -8.404 1.00 20.24 C ATOM 2271 CD1 ILE A 150 18.890 2.020 -6.196 1.00 33.53 C ATOM 0 H ILE A 150 20.040 5.447 -4.724 1.00 43.21 H new ATOM 0 HA ILE A 150 21.399 5.191 -7.208 1.00 33.51 H new ATOM 0 HB ILE A 150 18.465 4.760 -6.498 1.00 73.52 H new ATOM 0 HG12 ILE A 150 20.818 2.822 -6.620 1.00 65.45 H new ATOM 0 HG13 ILE A 150 20.094 3.426 -5.142 1.00 65.45 H new ATOM 0 HG21 ILE A 150 18.434 3.314 -8.495 1.00 20.24 H new ATOM 0 HG22 ILE A 150 18.822 4.999 -8.916 1.00 20.24 H new ATOM 0 HG23 ILE A 150 20.114 3.776 -8.856 1.00 20.24 H new ATOM 0 HD11 ILE A 150 19.302 1.172 -5.648 1.00 33.53 H new ATOM 0 HD12 ILE A 150 17.959 2.338 -5.726 1.00 33.53 H new ATOM 0 HD13 ILE A 150 18.694 1.725 -7.227 1.00 33.53 H new ATOM 2283 N MET A 151 19.194 7.619 -6.799 1.00 61.44 N ATOM 2284 CA MET A 151 18.702 8.888 -7.334 1.00 32.03 C ATOM 2285 C MET A 151 19.857 9.826 -7.608 1.00 13.15 C ATOM 2286 O MET A 151 19.868 10.503 -8.627 1.00 23.21 O ATOM 2287 CB MET A 151 17.695 9.571 -6.394 1.00 34.51 C ATOM 2288 CG MET A 151 16.373 8.824 -6.082 1.00 5.32 C ATOM 2289 SD MET A 151 15.287 8.480 -7.512 1.00 20.00 S ATOM 2290 CE MET A 151 16.085 7.078 -8.321 1.00 22.25 C ATOM 0 H MET A 151 18.852 7.404 -5.863 1.00 61.44 H new ATOM 0 HA MET A 151 18.182 8.658 -8.264 1.00 32.03 H new ATOM 0 HB2 MET A 151 18.200 9.767 -5.448 1.00 34.51 H new ATOM 0 HB3 MET A 151 17.439 10.539 -6.825 1.00 34.51 H new ATOM 0 HG2 MET A 151 16.619 7.877 -5.602 1.00 5.32 H new ATOM 0 HG3 MET A 151 15.810 9.412 -5.357 1.00 5.32 H new ATOM 0 HE1 MET A 151 15.336 6.325 -8.567 1.00 22.25 H new ATOM 0 HE2 MET A 151 16.574 7.415 -9.235 1.00 22.25 H new ATOM 0 HE3 MET A 151 16.827 6.645 -7.650 1.00 22.25 H new ATOM 2300 N GLU A 152 20.837 9.849 -6.700 1.00 60.21 N ATOM 2301 CA GLU A 152 22.035 10.671 -6.886 1.00 34.00 C ATOM 2302 C GLU A 152 22.770 10.254 -8.148 1.00 12.43 C ATOM 2303 O GLU A 152 23.237 11.091 -8.918 1.00 14.22 O ATOM 2304 CB GLU A 152 22.984 10.555 -5.691 1.00 50.13 C ATOM 2305 CG GLU A 152 22.406 11.031 -4.383 1.00 5.13 C ATOM 2306 CD GLU A 152 23.400 10.955 -3.257 1.00 42.43 C ATOM 2307 OE1 GLU A 152 23.519 9.885 -2.622 1.00 62.03 O ATOM 2308 OE2 GLU A 152 24.087 11.962 -2.994 1.00 11.34 O ATOM 0 H GLU A 152 20.824 9.311 -5.834 1.00 60.21 H new ATOM 0 HA GLU A 152 21.710 11.708 -6.973 1.00 34.00 H new ATOM 0 HB2 GLU A 152 23.285 9.513 -5.582 1.00 50.13 H new ATOM 0 HB3 GLU A 152 23.887 11.127 -5.904 1.00 50.13 H new ATOM 0 HG2 GLU A 152 22.063 12.060 -4.493 1.00 5.13 H new ATOM 0 HG3 GLU A 152 21.532 10.429 -4.134 1.00 5.13 H new ATOM 2315 N CYS A 153 22.850 8.954 -8.357 1.00 10.21 N ATOM 2316 CA CYS A 153 23.521 8.408 -9.510 1.00 61.12 C ATOM 2317 C CYS A 153 22.708 8.661 -10.785 1.00 22.55 C ATOM 2318 O CYS A 153 23.272 8.828 -11.870 1.00 10.02 O ATOM 2319 CB CYS A 153 23.794 6.911 -9.316 1.00 32.21 C ATOM 2320 SG CYS A 153 24.781 6.140 -10.622 1.00 11.51 S ATOM 0 H CYS A 153 22.452 8.253 -7.732 1.00 10.21 H new ATOM 0 HA CYS A 153 24.480 8.915 -9.621 1.00 61.12 H new ATOM 0 HB2 CYS A 153 24.305 6.770 -8.364 1.00 32.21 H new ATOM 0 HB3 CYS A 153 22.840 6.389 -9.246 1.00 32.21 H new ATOM 0 HG CYS A 153 24.949 4.880 -10.352 1.00 11.51 H new ATOM 2326 N LYS A 154 21.386 8.690 -10.665 1.00 74.53 N ATOM 2327 CA LYS A 154 20.548 8.956 -11.820 1.00 11.23 C ATOM 2328 C LYS A 154 20.614 10.423 -12.187 1.00 71.44 C ATOM 2329 O LYS A 154 20.883 10.756 -13.331 1.00 62.23 O ATOM 2330 CB LYS A 154 19.079 8.597 -11.533 1.00 44.15 C ATOM 2331 CG LYS A 154 18.789 7.127 -11.270 1.00 3.04 C ATOM 2332 CD LYS A 154 19.068 6.267 -12.491 1.00 1.11 C ATOM 2333 CE LYS A 154 18.686 4.815 -12.240 1.00 50.14 C ATOM 2334 NZ LYS A 154 18.924 3.964 -13.429 1.00 63.33 N ATOM 0 H LYS A 154 20.881 8.535 -9.793 1.00 74.53 H new ATOM 0 HA LYS A 154 20.918 8.342 -12.641 1.00 11.23 H new ATOM 0 HB2 LYS A 154 18.748 9.172 -10.668 1.00 44.15 H new ATOM 0 HB3 LYS A 154 18.475 8.920 -12.381 1.00 44.15 H new ATOM 0 HG2 LYS A 154 19.398 6.781 -10.435 1.00 3.04 H new ATOM 0 HG3 LYS A 154 17.746 7.010 -10.974 1.00 3.04 H new ATOM 0 HD2 LYS A 154 18.509 6.651 -13.345 1.00 1.11 H new ATOM 0 HD3 LYS A 154 20.125 6.328 -12.749 1.00 1.11 H new ATOM 0 HE2 LYS A 154 19.261 4.430 -11.398 1.00 50.14 H new ATOM 0 HE3 LYS A 154 17.634 4.760 -11.960 1.00 50.14 H new ATOM 0 HZ1 LYS A 154 18.651 2.984 -13.215 1.00 63.33 H new ATOM 0 HZ2 LYS A 154 18.356 4.315 -14.227 1.00 63.33 H new ATOM 0 HZ3 LYS A 154 19.932 3.995 -13.682 1.00 63.33 H new ATOM 2348 N LYS A 155 20.458 11.284 -11.192 1.00 34.42 N ATOM 2349 CA LYS A 155 20.441 12.738 -11.390 1.00 60.24 C ATOM 2350 C LYS A 155 20.868 13.451 -10.115 1.00 72.54 C ATOM 2351 O LYS A 155 21.947 14.049 -10.041 1.00 42.32 O ATOM 2352 CB LYS A 155 19.013 13.254 -11.774 1.00 60.04 C ATOM 2353 CG LYS A 155 18.432 12.759 -13.109 1.00 51.32 C ATOM 2354 CD LYS A 155 19.296 13.164 -14.299 1.00 62.42 C ATOM 2355 CE LYS A 155 19.428 14.665 -14.427 1.00 72.13 C ATOM 2356 NZ LYS A 155 20.335 15.040 -15.527 1.00 23.32 N ATOM 0 H LYS A 155 20.339 11.000 -10.220 1.00 34.42 H new ATOM 0 HA LYS A 155 21.134 12.954 -12.203 1.00 60.24 H new ATOM 0 HB2 LYS A 155 18.324 12.971 -10.978 1.00 60.04 H new ATOM 0 HB3 LYS A 155 19.041 14.343 -11.799 1.00 60.04 H new ATOM 0 HG2 LYS A 155 18.339 11.673 -13.083 1.00 51.32 H new ATOM 0 HG3 LYS A 155 17.427 13.162 -13.238 1.00 51.32 H new ATOM 0 HD2 LYS A 155 20.287 12.722 -14.193 1.00 62.42 H new ATOM 0 HD3 LYS A 155 18.863 12.760 -15.214 1.00 62.42 H new ATOM 0 HE2 LYS A 155 18.445 15.103 -14.600 1.00 72.13 H new ATOM 0 HE3 LYS A 155 19.801 15.079 -13.490 1.00 72.13 H new ATOM 0 HZ1 LYS A 155 20.401 16.076 -15.585 1.00 23.32 H new ATOM 0 HZ2 LYS A 155 21.279 14.642 -15.349 1.00 23.32 H new ATOM 0 HZ3 LYS A 155 19.965 14.666 -16.424 1.00 23.32 H new ATOM 2370 N LYS A 156 20.011 13.363 -9.117 1.00 21.32 N ATOM 2371 CA LYS A 156 20.174 14.037 -7.839 1.00 61.01 C ATOM 2372 C LYS A 156 19.175 13.424 -6.856 1.00 1.24 C ATOM 2373 O LYS A 156 18.211 12.779 -7.304 1.00 61.52 O ATOM 2374 CB LYS A 156 19.889 15.555 -8.008 1.00 11.25 C ATOM 2375 CG LYS A 156 18.489 15.869 -8.542 1.00 75.40 C ATOM 2376 CD LYS A 156 18.245 17.369 -8.704 1.00 35.21 C ATOM 2377 CE LYS A 156 18.300 18.107 -7.374 1.00 22.41 C ATOM 2378 NZ LYS A 156 18.033 19.558 -7.534 1.00 64.42 N ATOM 0 H LYS A 156 19.158 12.806 -9.172 1.00 21.32 H new ATOM 0 HA LYS A 156 21.192 13.916 -7.469 1.00 61.01 H new ATOM 0 HB2 LYS A 156 20.018 16.048 -7.045 1.00 11.25 H new ATOM 0 HB3 LYS A 156 20.629 15.980 -8.686 1.00 11.25 H new ATOM 0 HG2 LYS A 156 18.352 15.376 -9.505 1.00 75.40 H new ATOM 0 HG3 LYS A 156 17.744 15.455 -7.863 1.00 75.40 H new ATOM 0 HD2 LYS A 156 18.991 17.786 -9.380 1.00 35.21 H new ATOM 0 HD3 LYS A 156 17.271 17.529 -9.167 1.00 35.21 H new ATOM 0 HE2 LYS A 156 17.569 17.677 -6.690 1.00 22.41 H new ATOM 0 HE3 LYS A 156 19.281 17.966 -6.921 1.00 22.41 H new ATOM 0 HZ1 LYS A 156 18.080 20.024 -6.605 1.00 64.42 H new ATOM 0 HZ2 LYS A 156 18.746 19.974 -8.167 1.00 64.42 H new ATOM 0 HZ3 LYS A 156 17.086 19.694 -7.942 1.00 64.42 H new ATOM 2392 N PRO A 157 19.384 13.589 -5.521 1.00 63.31 N ATOM 2393 CA PRO A 157 18.455 13.068 -4.503 1.00 23.43 C ATOM 2394 C PRO A 157 17.051 13.628 -4.701 1.00 61.03 C ATOM 2395 O PRO A 157 16.874 14.839 -4.789 1.00 31.13 O ATOM 2396 CB PRO A 157 19.023 13.582 -3.173 1.00 1.41 C ATOM 2397 CG PRO A 157 20.440 13.928 -3.450 1.00 43.12 C ATOM 2398 CD PRO A 157 20.527 14.296 -4.905 1.00 65.34 C ATOM 0 HA PRO A 157 18.373 11.982 -4.550 1.00 23.43 H new ATOM 0 HB2 PRO A 157 18.469 14.452 -2.820 1.00 1.41 H new ATOM 0 HB3 PRO A 157 18.950 12.821 -2.396 1.00 1.41 H new ATOM 0 HG2 PRO A 157 20.764 14.758 -2.822 1.00 43.12 H new ATOM 0 HG3 PRO A 157 21.094 13.085 -3.226 1.00 43.12 H new ATOM 0 HD2 PRO A 157 20.454 15.374 -5.049 1.00 65.34 H new ATOM 0 HD3 PRO A 157 21.474 13.979 -5.341 1.00 65.34 H new ATOM 2406 N GLN A 158 16.070 12.753 -4.775 1.00 2.21 N ATOM 2407 CA GLN A 158 14.696 13.152 -5.021 1.00 23.33 C ATOM 2408 C GLN A 158 13.748 12.100 -4.465 1.00 74.34 C ATOM 2409 O GLN A 158 14.188 10.998 -4.115 1.00 12.32 O ATOM 2410 CB GLN A 158 14.492 13.359 -6.522 1.00 45.12 C ATOM 2411 CG GLN A 158 14.845 12.141 -7.348 1.00 15.32 C ATOM 2412 CD GLN A 158 14.832 12.416 -8.822 1.00 62.44 C ATOM 2413 OE1 GLN A 158 13.807 12.264 -9.502 1.00 31.04 O ATOM 2414 NE2 GLN A 158 15.971 12.810 -9.334 1.00 23.00 N ATOM 0 H GLN A 158 16.200 11.747 -4.667 1.00 2.21 H new ATOM 0 HA GLN A 158 14.481 14.093 -4.515 1.00 23.33 H new ATOM 0 HB2 GLN A 158 13.451 13.625 -6.707 1.00 45.12 H new ATOM 0 HB3 GLN A 158 15.100 14.201 -6.851 1.00 45.12 H new ATOM 0 HG2 GLN A 158 15.834 11.785 -7.058 1.00 15.32 H new ATOM 0 HG3 GLN A 158 14.140 11.340 -7.126 1.00 15.32 H new ATOM 0 HE21 GLN A 158 16.789 12.921 -8.734 1.00 23.00 H new ATOM 0 HE22 GLN A 158 16.041 13.006 -10.333 1.00 23.00 H new TER 2423 GLN A 158