USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1139 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 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 125 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 32 HIS : no HE2:sc= -5.97 K(o=-6.3,f=-11!) USER MOD Set 2.2: A 35 LYS NZ :NH3+ -100:sc= -0.374! (180deg=-0.763!) USER MOD Single : A 1 ARG N :NH3+ -149:sc= -0.434 (180deg=-1.31) USER MOD Single : A 2 HIS : no HD1:sc= -1.3! C(o=-1.3!,f=-7.6!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.704 X(o=-0.7,f=-0.26) USER MOD Single : A 17 LYS NZ :NH3+ -136:sc= -1.97 (180deg=-3.17!) USER MOD Single : A 19 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.29) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= -0.137 (180deg=-0.137) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 72:sc= 0.567 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.987 F(o=-2.8!,f=-0.99) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= -0.0233 (180deg=-0.302) USER MOD Single : A 34 ASN : amide:sc= -0.0414 X(o=-0.041,f=-0.041) USER MOD Single : A 37 ASN : amide:sc= -6.81! C(o=-6.8!,f=-7.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 45 THR OG1 : rot -156:sc= 0.0307 USER MOD Single : A 46 GLN : amide:sc= -9.54! C(o=-9.5!,f=-12!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -2.54! C(o=-2.5!,f=-4.7!) USER MOD Single : A 69 SER OG : rot -140:sc= -0.359 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= -30.9! C(o=-31!,f=-31!) USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.403) USER MOD Single : A 83 ASN : amide:sc= -0.855 K(o=-0.85,f=-5.1!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 164:sc= -0.0183 (180deg=-0.284) USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= -1.19! (180deg=-1.32!) USER MOD Single : A 108 ASN : amide:sc= -0.0889 X(o=-0.089,f=-0.39) USER MOD Single : A 109 CYS SG : rot 180:sc= -2.5 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 122:sc= -0.31 USER MOD Single : A 114 THR OG1 : rot 180:sc= -2.02 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0.418 K(o=0.42,f=-0.21) USER MOD Single : A 123 THR OG1 : rot 75:sc= 1.05 USER MOD Single : A 124 LYS NZ :NH3+ 171:sc= -6.55! (180deg=-7.05!) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 ASP N :NH3+ 136:sc= 1.16 (180deg=0.322) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 26.839 -18.632 -3.031 1.00 1.51 N ATOM 2 CA ARG A 1 25.452 -19.134 -3.247 1.00 1.47 C ATOM 3 C ARG A 1 24.693 -18.160 -4.152 1.00 1.42 C ATOM 4 O ARG A 1 25.226 -17.159 -4.587 1.00 1.41 O ATOM 5 CB ARG A 1 24.735 -19.245 -1.899 1.00 1.52 C ATOM 6 CG ARG A 1 25.658 -19.915 -0.877 1.00 1.58 C ATOM 7 CD ARG A 1 26.094 -21.288 -1.397 1.00 1.56 C ATOM 8 NE ARG A 1 26.628 -22.100 -0.267 1.00 1.55 N ATOM 9 CZ ARG A 1 26.781 -23.390 -0.405 1.00 1.55 C ATOM 10 NH1 ARG A 1 26.462 -23.970 -1.530 1.00 1.57 N ATOM 11 NH2 ARG A 1 27.251 -24.100 0.584 1.00 1.54 N ATOM 0 H1 ARG A 1 27.484 -19.438 -2.903 1.00 1.51 H new ATOM 0 H2 ARG A 1 27.139 -18.076 -3.857 1.00 1.51 H new ATOM 0 H3 ARG A 1 26.863 -18.032 -2.182 1.00 1.51 H new ATOM 0 HA ARG A 1 25.489 -20.115 -3.720 1.00 1.47 H new ATOM 0 HB2 ARG A 1 24.445 -18.255 -1.548 1.00 1.52 H new ATOM 0 HB3 ARG A 1 23.818 -19.824 -2.010 1.00 1.52 H new ATOM 0 HG2 ARG A 1 26.532 -19.289 -0.697 1.00 1.58 H new ATOM 0 HG3 ARG A 1 25.142 -20.024 0.077 1.00 1.58 H new ATOM 0 HD2 ARG A 1 25.249 -21.799 -1.859 1.00 1.56 H new ATOM 0 HD3 ARG A 1 26.856 -21.172 -2.168 1.00 1.56 H new ATOM 0 HE ARG A 1 26.874 -21.649 0.614 1.00 1.55 H new ATOM 0 HH11 ARG A 1 26.093 -23.416 -2.303 1.00 1.57 H new ATOM 0 HH12 ARG A 1 26.582 -24.977 -1.636 1.00 1.57 H new ATOM 0 HH21 ARG A 1 27.499 -23.648 1.464 1.00 1.54 H new ATOM 0 HH22 ARG A 1 27.371 -25.107 0.477 1.00 1.54 H new ATOM 27 N HIS A 2 23.452 -18.446 -4.440 1.00 1.39 N ATOM 28 CA HIS A 2 22.661 -17.536 -5.317 1.00 1.35 C ATOM 29 C HIS A 2 22.153 -16.348 -4.498 1.00 1.38 C ATOM 30 O HIS A 2 21.847 -16.473 -3.329 1.00 1.44 O ATOM 31 CB HIS A 2 21.470 -18.299 -5.901 1.00 1.31 C ATOM 32 CG HIS A 2 20.690 -18.944 -4.789 1.00 1.26 C ATOM 33 ND1 HIS A 2 21.188 -19.052 -3.500 1.00 1.27 N ATOM 34 CD2 HIS A 2 19.444 -19.520 -4.758 1.00 1.20 C ATOM 35 CE1 HIS A 2 20.254 -19.672 -2.755 1.00 1.22 C ATOM 36 NE2 HIS A 2 19.171 -19.979 -3.473 1.00 1.17 N ATOM 0 H HIS A 2 22.952 -19.270 -4.106 1.00 1.39 H new ATOM 0 HA HIS A 2 23.294 -17.173 -6.127 1.00 1.35 H new ATOM 0 HB2 HIS A 2 20.829 -17.619 -6.461 1.00 1.31 H new ATOM 0 HB3 HIS A 2 21.819 -19.058 -6.601 1.00 1.31 H new ATOM 0 HD2 HIS A 2 18.777 -19.604 -5.603 1.00 1.20 H new ATOM 0 HE1 HIS A 2 20.367 -19.894 -1.704 1.00 1.22 H new ATOM 0 HE2 HIS A 2 18.326 -20.449 -3.149 1.00 1.17 H new ATOM 44 N GLU A 3 22.062 -15.194 -5.103 1.00 1.36 N ATOM 45 CA GLU A 3 21.575 -14.000 -4.357 1.00 1.40 C ATOM 46 C GLU A 3 20.102 -14.193 -3.988 1.00 1.39 C ATOM 47 O GLU A 3 19.301 -14.628 -4.791 1.00 1.34 O ATOM 48 CB GLU A 3 21.727 -12.753 -5.234 1.00 1.39 C ATOM 49 CG GLU A 3 21.274 -13.069 -6.661 1.00 1.41 C ATOM 50 CD GLU A 3 21.111 -11.765 -7.444 1.00 1.40 C ATOM 51 OE1 GLU A 3 21.594 -10.749 -6.971 1.00 1.53 O ATOM 52 OE2 GLU A 3 20.507 -11.804 -8.503 1.00 1.60 O ATOM 0 H GLU A 3 22.304 -15.028 -6.080 1.00 1.36 H new ATOM 0 HA GLU A 3 22.162 -13.876 -3.447 1.00 1.40 H new ATOM 0 HB2 GLU A 3 21.133 -11.935 -4.826 1.00 1.39 H new ATOM 0 HB3 GLU A 3 22.766 -12.422 -5.236 1.00 1.39 H new ATOM 0 HG2 GLU A 3 22.005 -13.712 -7.152 1.00 1.41 H new ATOM 0 HG3 GLU A 3 20.331 -13.615 -6.642 1.00 1.41 H new ATOM 59 N ARG A 4 19.741 -13.876 -2.775 1.00 1.44 N ATOM 60 CA ARG A 4 18.334 -14.038 -2.342 1.00 1.44 C ATOM 61 C ARG A 4 17.416 -13.168 -3.212 1.00 1.43 C ATOM 62 O ARG A 4 17.343 -13.353 -4.411 1.00 1.45 O ATOM 63 CB ARG A 4 18.236 -13.610 -0.880 1.00 1.51 C ATOM 64 CG ARG A 4 19.096 -14.533 0.003 1.00 1.53 C ATOM 65 CD ARG A 4 18.299 -15.777 0.401 1.00 1.56 C ATOM 66 NE ARG A 4 17.135 -15.372 1.239 1.00 1.64 N ATOM 67 CZ ARG A 4 16.167 -16.217 1.465 1.00 1.68 C ATOM 68 NH1 ARG A 4 16.223 -17.422 0.965 1.00 1.65 N ATOM 69 NH2 ARG A 4 15.144 -15.860 2.193 1.00 1.74 N ATOM 0 H ARG A 4 20.371 -13.508 -2.062 1.00 1.44 H new ATOM 0 HA ARG A 4 18.021 -15.077 -2.449 1.00 1.44 H new ATOM 0 HB2 ARG A 4 18.569 -12.578 -0.773 1.00 1.51 H new ATOM 0 HB3 ARG A 4 17.197 -13.645 -0.552 1.00 1.51 H new ATOM 0 HG2 ARG A 4 19.997 -14.827 -0.535 1.00 1.53 H new ATOM 0 HG3 ARG A 4 19.418 -13.997 0.896 1.00 1.53 H new ATOM 0 HD2 ARG A 4 17.955 -16.302 -0.490 1.00 1.56 H new ATOM 0 HD3 ARG A 4 18.935 -16.469 0.953 1.00 1.56 H new ATOM 0 HE ARG A 4 17.095 -14.433 1.636 1.00 1.64 H new ATOM 0 HH11 ARG A 4 17.023 -17.702 0.398 1.00 1.65 H new ATOM 0 HH12 ARG A 4 15.466 -18.083 1.141 1.00 1.65 H new ATOM 0 HH21 ARG A 4 15.101 -14.920 2.586 1.00 1.74 H new ATOM 0 HH22 ARG A 4 14.388 -16.521 2.369 1.00 1.74 H new ATOM 83 N ASP A 5 16.702 -12.229 -2.625 1.00 1.40 N ATOM 84 CA ASP A 5 15.780 -11.366 -3.429 1.00 1.39 C ATOM 85 C ASP A 5 15.915 -9.898 -3.005 1.00 1.41 C ATOM 86 O ASP A 5 16.999 -9.383 -2.830 1.00 1.46 O ATOM 87 CB ASP A 5 14.336 -11.837 -3.202 1.00 1.32 C ATOM 88 CG ASP A 5 13.468 -11.460 -4.406 1.00 1.32 C ATOM 89 OD1 ASP A 5 13.816 -10.510 -5.086 1.00 1.33 O ATOM 90 OD2 ASP A 5 12.475 -12.133 -4.629 1.00 1.32 O ATOM 0 H ASP A 5 16.721 -12.026 -1.625 1.00 1.40 H new ATOM 0 HA ASP A 5 16.040 -11.447 -4.485 1.00 1.39 H new ATOM 0 HB2 ASP A 5 14.316 -12.916 -3.052 1.00 1.32 H new ATOM 0 HB3 ASP A 5 13.934 -11.382 -2.297 1.00 1.32 H new ATOM 95 N ALA A 6 14.807 -9.220 -2.875 1.00 1.37 N ATOM 96 CA ALA A 6 14.837 -7.771 -2.486 1.00 1.39 C ATOM 97 C ALA A 6 14.834 -7.594 -0.957 1.00 1.40 C ATOM 98 O ALA A 6 15.721 -6.978 -0.387 1.00 1.45 O ATOM 99 CB ALA A 6 13.609 -7.073 -3.074 1.00 1.34 C ATOM 0 H ALA A 6 13.874 -9.606 -3.021 1.00 1.37 H new ATOM 0 HA ALA A 6 15.755 -7.332 -2.876 1.00 1.39 H new ATOM 0 HB1 ALA A 6 13.622 -6.019 -2.797 1.00 1.34 H new ATOM 0 HB2 ALA A 6 13.625 -7.163 -4.160 1.00 1.34 H new ATOM 0 HB3 ALA A 6 12.704 -7.540 -2.685 1.00 1.34 H new ATOM 105 N PHE A 7 13.826 -8.100 -0.288 1.00 1.35 N ATOM 106 CA PHE A 7 13.753 -7.924 1.199 1.00 1.36 C ATOM 107 C PHE A 7 15.026 -8.443 1.867 1.00 1.43 C ATOM 108 O PHE A 7 15.422 -7.973 2.909 1.00 1.46 O ATOM 109 CB PHE A 7 12.526 -8.662 1.776 1.00 1.31 C ATOM 110 CG PHE A 7 12.022 -9.665 0.783 1.00 1.26 C ATOM 111 CD1 PHE A 7 11.086 -9.265 -0.165 1.00 1.21 C ATOM 112 CD2 PHE A 7 12.483 -10.986 0.813 1.00 1.27 C ATOM 113 CE1 PHE A 7 10.601 -10.195 -1.097 1.00 1.16 C ATOM 114 CE2 PHE A 7 12.002 -11.914 -0.117 1.00 1.23 C ATOM 115 CZ PHE A 7 11.060 -11.518 -1.072 1.00 1.18 C ATOM 0 H PHE A 7 13.055 -8.624 -0.703 1.00 1.35 H new ATOM 0 HA PHE A 7 13.654 -6.858 1.405 1.00 1.36 H new ATOM 0 HB2 PHE A 7 12.795 -9.162 2.706 1.00 1.31 H new ATOM 0 HB3 PHE A 7 11.739 -7.946 2.015 1.00 1.31 H new ATOM 0 HD1 PHE A 7 10.734 -8.244 -0.184 1.00 1.21 H new ATOM 0 HD2 PHE A 7 13.209 -11.289 1.553 1.00 1.27 H new ATOM 0 HE1 PHE A 7 9.873 -9.890 -1.834 1.00 1.16 H new ATOM 0 HE2 PHE A 7 12.357 -12.934 -0.098 1.00 1.23 H new ATOM 0 HZ PHE A 7 10.686 -12.233 -1.790 1.00 1.18 H new ATOM 125 N ASP A 8 15.646 -9.420 1.292 1.00 1.47 N ATOM 126 CA ASP A 8 16.873 -9.999 1.914 1.00 1.54 C ATOM 127 C ASP A 8 17.801 -8.911 2.414 1.00 1.58 C ATOM 128 O ASP A 8 17.914 -8.646 3.590 1.00 1.60 O ATOM 129 CB ASP A 8 17.626 -10.776 0.839 1.00 1.58 C ATOM 130 CG ASP A 8 17.768 -9.941 -0.436 1.00 1.64 C ATOM 131 OD1 ASP A 8 17.116 -8.914 -0.525 1.00 1.64 O ATOM 132 OD2 ASP A 8 18.534 -10.334 -1.300 1.00 1.69 O ATOM 0 H ASP A 8 15.361 -9.851 0.413 1.00 1.47 H new ATOM 0 HA ASP A 8 16.573 -10.630 2.751 1.00 1.54 H new ATOM 0 HB2 ASP A 8 18.613 -11.054 1.209 1.00 1.58 H new ATOM 0 HB3 ASP A 8 17.097 -11.702 0.615 1.00 1.58 H new ATOM 137 N THR A 9 18.462 -8.299 1.508 1.00 1.61 N ATOM 138 CA THR A 9 19.425 -7.219 1.864 1.00 1.66 C ATOM 139 C THR A 9 18.701 -6.066 2.545 1.00 1.62 C ATOM 140 O THR A 9 19.228 -5.424 3.430 1.00 1.65 O ATOM 141 CB THR A 9 20.119 -6.714 0.597 1.00 1.71 C ATOM 142 OG1 THR A 9 20.547 -7.823 -0.180 1.00 1.71 O ATOM 143 CG2 THR A 9 21.327 -5.860 0.981 1.00 1.78 C ATOM 0 H THR A 9 18.386 -8.493 0.509 1.00 1.61 H new ATOM 0 HA THR A 9 20.168 -7.622 2.552 1.00 1.66 H new ATOM 0 HB THR A 9 19.422 -6.111 0.016 1.00 1.71 H new ATOM 0 HG1 THR A 9 20.990 -7.501 -0.993 1.00 1.71 H new ATOM 0 HG21 THR A 9 21.821 -5.501 0.078 1.00 1.78 H new ATOM 0 HG22 THR A 9 20.996 -5.009 1.577 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.027 -6.460 1.563 1.00 1.78 H new ATOM 151 N LEU A 10 17.506 -5.793 2.140 1.00 1.55 N ATOM 152 CA LEU A 10 16.756 -4.669 2.767 1.00 1.52 C ATOM 153 C LEU A 10 16.478 -4.998 4.246 1.00 1.51 C ATOM 154 O LEU A 10 16.676 -4.177 5.120 1.00 1.54 O ATOM 155 CB LEU A 10 15.435 -4.459 1.989 1.00 1.44 C ATOM 156 CG LEU A 10 15.454 -3.125 1.223 1.00 1.43 C ATOM 157 CD1 LEU A 10 14.357 -3.137 0.156 1.00 1.48 C ATOM 158 CD2 LEU A 10 15.207 -1.963 2.196 1.00 1.36 C ATOM 0 H LEU A 10 17.009 -6.294 1.403 1.00 1.55 H new ATOM 0 HA LEU A 10 17.342 -3.751 2.727 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.285 -5.282 1.290 1.00 1.44 H new ATOM 0 HB3 LEU A 10 14.594 -4.473 2.682 1.00 1.44 H new ATOM 0 HG LEU A 10 16.427 -2.996 0.748 1.00 1.43 H new ATOM 0 HD11 LEU A 10 14.368 -2.193 -0.388 1.00 1.48 H new ATOM 0 HD12 LEU A 10 14.534 -3.958 -0.539 1.00 1.48 H new ATOM 0 HD13 LEU A 10 13.386 -3.269 0.634 1.00 1.48 H new ATOM 0 HD21 LEU A 10 15.221 -1.021 1.648 1.00 1.36 H new ATOM 0 HD22 LEU A 10 14.236 -2.090 2.675 1.00 1.36 H new ATOM 0 HD23 LEU A 10 15.988 -1.953 2.956 1.00 1.36 H new ATOM 170 N PHE A 11 16.018 -6.188 4.530 1.00 1.48 N ATOM 171 CA PHE A 11 15.720 -6.567 5.944 1.00 1.48 C ATOM 172 C PHE A 11 16.983 -7.113 6.610 1.00 1.55 C ATOM 173 O PHE A 11 17.110 -7.109 7.818 1.00 1.57 O ATOM 174 CB PHE A 11 14.624 -7.648 5.943 1.00 1.42 C ATOM 175 CG PHE A 11 13.282 -6.994 5.870 1.00 1.36 C ATOM 176 CD1 PHE A 11 12.790 -6.676 4.631 1.00 1.31 C ATOM 177 CD2 PHE A 11 12.559 -6.688 7.028 1.00 1.34 C ATOM 178 CE1 PHE A 11 11.558 -6.035 4.505 1.00 1.25 C ATOM 179 CE2 PHE A 11 11.316 -6.053 6.919 1.00 1.27 C ATOM 180 CZ PHE A 11 10.815 -5.724 5.653 1.00 1.23 C ATOM 0 H PHE A 11 15.835 -6.917 3.841 1.00 1.48 H new ATOM 0 HA PHE A 11 15.380 -5.693 6.499 1.00 1.48 H new ATOM 0 HB2 PHE A 11 14.760 -8.319 5.095 1.00 1.42 H new ATOM 0 HB3 PHE A 11 14.696 -8.256 6.845 1.00 1.42 H new ATOM 0 HD1 PHE A 11 13.360 -6.923 3.747 1.00 1.31 H new ATOM 0 HD2 PHE A 11 12.957 -6.940 8.000 1.00 1.34 H new ATOM 0 HE1 PHE A 11 11.178 -5.779 3.527 1.00 1.25 H new ATOM 0 HE2 PHE A 11 10.747 -5.818 7.806 1.00 1.27 H new ATOM 0 HZ PHE A 11 9.858 -5.232 5.561 1.00 1.23 H new ATOM 190 N ASP A 12 17.913 -7.593 5.834 1.00 1.58 N ATOM 191 CA ASP A 12 19.171 -8.154 6.429 1.00 1.65 C ATOM 192 C ASP A 12 20.265 -7.083 6.482 1.00 1.70 C ATOM 193 O ASP A 12 21.310 -7.298 7.063 1.00 1.75 O ATOM 194 CB ASP A 12 19.667 -9.333 5.587 1.00 1.68 C ATOM 195 CG ASP A 12 18.547 -10.365 5.437 1.00 1.63 C ATOM 196 OD1 ASP A 12 17.674 -10.391 6.289 1.00 1.58 O ATOM 197 OD2 ASP A 12 18.581 -11.112 4.473 1.00 1.65 O ATOM 0 H ASP A 12 17.863 -7.624 4.816 1.00 1.58 H new ATOM 0 HA ASP A 12 18.949 -8.491 7.442 1.00 1.65 H new ATOM 0 HB2 ASP A 12 19.986 -8.983 4.605 1.00 1.68 H new ATOM 0 HB3 ASP A 12 20.536 -9.791 6.060 1.00 1.68 H new ATOM 202 N HIS A 13 20.050 -5.935 5.879 1.00 1.70 N ATOM 203 CA HIS A 13 21.106 -4.867 5.907 1.00 1.76 C ATOM 204 C HIS A 13 20.477 -3.480 6.086 1.00 1.73 C ATOM 205 O HIS A 13 21.131 -2.474 5.896 1.00 1.77 O ATOM 206 CB HIS A 13 21.895 -4.894 4.591 1.00 1.80 C ATOM 207 CG HIS A 13 23.186 -4.138 4.758 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.298 -4.701 5.364 1.00 1.87 N ATOM 209 CD2 HIS A 13 23.555 -2.863 4.407 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.275 -3.775 5.359 1.00 1.93 C ATOM 211 NE2 HIS A 13 24.875 -2.636 4.787 1.00 1.95 N ATOM 0 H HIS A 13 19.198 -5.692 5.373 1.00 1.70 H new ATOM 0 HA HIS A 13 21.770 -5.062 6.749 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.101 -5.924 4.300 1.00 1.80 H new ATOM 0 HB3 HIS A 13 21.303 -4.449 3.791 1.00 1.80 H new ATOM 0 HD2 HIS A 13 22.918 -2.145 3.911 1.00 1.91 H new ATOM 0 HE1 HIS A 13 26.262 -3.934 5.768 1.00 1.93 H new ATOM 0 HE2 HIS A 13 25.420 -1.783 4.657 1.00 1.95 H new ATOM 219 N ALA A 14 19.227 -3.400 6.459 1.00 1.66 N ATOM 220 CA ALA A 14 18.613 -2.049 6.647 1.00 1.63 C ATOM 221 C ALA A 14 17.234 -2.150 7.309 1.00 1.56 C ATOM 222 O ALA A 14 16.244 -1.804 6.697 1.00 1.51 O ATOM 223 CB ALA A 14 18.467 -1.372 5.283 1.00 1.62 C ATOM 0 H ALA A 14 18.613 -4.194 6.639 1.00 1.66 H new ATOM 0 HA ALA A 14 19.263 -1.464 7.298 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.020 -0.386 5.412 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.449 -1.267 4.822 1.00 1.62 H new ATOM 0 HB3 ALA A 14 17.828 -1.979 4.642 1.00 1.62 H new ATOM 229 N PRO A 15 17.199 -2.589 8.549 1.00 1.57 N ATOM 230 CA PRO A 15 15.933 -2.694 9.288 1.00 1.51 C ATOM 231 C PRO A 15 15.425 -1.279 9.609 1.00 1.50 C ATOM 232 O PRO A 15 14.291 -1.086 9.999 1.00 1.44 O ATOM 233 CB PRO A 15 16.298 -3.456 10.587 1.00 1.54 C ATOM 234 CG PRO A 15 17.834 -3.698 10.574 1.00 1.62 C ATOM 235 CD PRO A 15 18.393 -3.018 9.308 1.00 1.64 C ATOM 0 HA PRO A 15 15.148 -3.206 8.731 1.00 1.51 H new ATOM 0 HB2 PRO A 15 16.009 -2.877 11.464 1.00 1.54 H new ATOM 0 HB3 PRO A 15 15.761 -4.403 10.639 1.00 1.54 H new ATOM 0 HG2 PRO A 15 18.296 -3.283 11.470 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.055 -4.765 10.567 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.026 -2.168 9.563 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.004 -3.708 8.726 1.00 1.64 H new ATOM 243 N ASP A 16 16.275 -0.294 9.466 1.00 1.55 N ATOM 244 CA ASP A 16 15.864 1.111 9.784 1.00 1.55 C ATOM 245 C ASP A 16 15.199 1.768 8.570 1.00 1.52 C ATOM 246 O ASP A 16 14.159 2.393 8.680 1.00 1.48 O ATOM 247 CB ASP A 16 17.101 1.918 10.181 1.00 1.63 C ATOM 248 CG ASP A 16 17.684 1.352 11.477 1.00 1.65 C ATOM 249 OD1 ASP A 16 16.907 1.023 12.358 1.00 1.64 O ATOM 250 OD2 ASP A 16 18.897 1.258 11.567 1.00 1.68 O ATOM 0 H ASP A 16 17.237 -0.400 9.143 1.00 1.55 H new ATOM 0 HA ASP A 16 15.148 1.091 10.606 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.846 1.877 9.386 1.00 1.63 H new ATOM 0 HB3 ASP A 16 16.836 2.967 10.316 1.00 1.63 H new ATOM 255 N LYS A 17 15.790 1.645 7.416 1.00 1.55 N ATOM 256 CA LYS A 17 15.191 2.273 6.206 1.00 1.54 C ATOM 257 C LYS A 17 13.799 1.689 5.973 1.00 1.46 C ATOM 258 O LYS A 17 12.865 2.393 5.660 1.00 1.42 O ATOM 259 CB LYS A 17 16.073 1.991 4.988 1.00 1.59 C ATOM 260 CG LYS A 17 17.479 2.542 5.237 1.00 1.67 C ATOM 261 CD LYS A 17 18.336 2.335 3.986 1.00 1.72 C ATOM 262 CE LYS A 17 19.614 3.170 4.094 1.00 1.80 C ATOM 263 NZ LYS A 17 19.297 4.600 3.823 1.00 1.80 N ATOM 0 H LYS A 17 16.661 1.138 7.258 1.00 1.55 H new ATOM 0 HA LYS A 17 15.118 3.350 6.354 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.119 0.918 4.800 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.642 2.452 4.099 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.427 3.602 5.484 1.00 1.67 H new ATOM 0 HG3 LYS A 17 17.933 2.038 6.090 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.587 1.280 3.876 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.775 2.624 3.097 1.00 1.72 H new ATOM 0 HE2 LYS A 17 20.047 3.065 5.089 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.358 2.810 3.383 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 20.021 5.003 3.195 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 18.365 4.668 3.366 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 19.283 5.128 4.719 1.00 1.80 H new ATOM 277 N LEU A 18 13.654 0.405 6.125 1.00 1.43 N ATOM 278 CA LEU A 18 12.321 -0.222 5.913 1.00 1.36 C ATOM 279 C LEU A 18 11.283 0.478 6.790 1.00 1.31 C ATOM 280 O LEU A 18 10.138 0.629 6.412 1.00 1.26 O ATOM 281 CB LEU A 18 12.401 -1.704 6.285 1.00 1.35 C ATOM 282 CG LEU A 18 13.113 -2.485 5.160 1.00 1.35 C ATOM 283 CD1 LEU A 18 13.767 -3.742 5.739 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.099 -2.893 4.077 1.00 1.41 C ATOM 0 H LEU A 18 14.401 -0.239 6.387 1.00 1.43 H new ATOM 0 HA LEU A 18 12.028 -0.125 4.868 1.00 1.36 H new ATOM 0 HB2 LEU A 18 12.942 -1.825 7.223 1.00 1.35 H new ATOM 0 HB3 LEU A 18 11.399 -2.104 6.441 1.00 1.35 H new ATOM 0 HG LEU A 18 13.876 -1.846 4.716 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.269 -4.291 4.942 1.00 1.28 H new ATOM 0 HD12 LEU A 18 14.496 -3.456 6.498 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.003 -4.375 6.190 1.00 1.28 H new ATOM 0 HD21 LEU A 18 12.611 -3.443 3.288 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.329 -3.525 4.519 1.00 1.41 H new ATOM 0 HD23 LEU A 18 11.638 -2.000 3.656 1.00 1.41 H new ATOM 296 N ASN A 19 11.674 0.912 7.954 1.00 1.33 N ATOM 297 CA ASN A 19 10.706 1.608 8.846 1.00 1.29 C ATOM 298 C ASN A 19 10.312 2.939 8.204 1.00 1.30 C ATOM 299 O ASN A 19 9.145 3.259 8.072 1.00 1.25 O ATOM 300 CB ASN A 19 11.357 1.865 10.207 1.00 1.32 C ATOM 301 CG ASN A 19 10.361 2.574 11.127 1.00 1.27 C ATOM 302 OD1 ASN A 19 10.508 3.746 11.413 1.00 1.29 O ATOM 303 ND2 ASN A 19 9.346 1.908 11.607 1.00 1.22 N ATOM 0 H ASN A 19 12.619 0.816 8.326 1.00 1.33 H new ATOM 0 HA ASN A 19 9.820 0.989 8.986 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.673 0.922 10.654 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.252 2.475 10.084 1.00 1.32 H new ATOM 0 HD21 ASN A 19 8.677 2.371 12.222 1.00 1.22 H new ATOM 0 HD22 ASN A 19 9.222 0.924 11.367 1.00 1.22 H new ATOM 310 N VAL A 20 11.279 3.714 7.797 1.00 1.36 N ATOM 311 CA VAL A 20 10.964 5.021 7.156 1.00 1.38 C ATOM 312 C VAL A 20 10.307 4.784 5.792 1.00 1.34 C ATOM 313 O VAL A 20 9.478 5.557 5.353 1.00 1.32 O ATOM 314 CB VAL A 20 12.253 5.822 6.967 1.00 1.46 C ATOM 315 CG1 VAL A 20 11.940 7.128 6.236 1.00 1.48 C ATOM 316 CG2 VAL A 20 12.860 6.139 8.336 1.00 1.50 C ATOM 0 H VAL A 20 12.273 3.499 7.881 1.00 1.36 H new ATOM 0 HA VAL A 20 10.279 5.578 7.795 1.00 1.38 H new ATOM 0 HB VAL A 20 12.961 5.237 6.380 1.00 1.46 H new ATOM 0 HG11 VAL A 20 12.859 7.699 6.101 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.506 6.904 5.262 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.232 7.713 6.823 1.00 1.48 H new ATOM 0 HG21 VAL A 20 13.779 6.710 8.203 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.151 6.724 8.922 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.083 5.209 8.859 1.00 1.50 H new ATOM 326 N VAL A 21 10.666 3.724 5.113 1.00 1.33 N ATOM 327 CA VAL A 21 10.051 3.460 3.779 1.00 1.30 C ATOM 328 C VAL A 21 8.546 3.225 3.950 1.00 1.22 C ATOM 329 O VAL A 21 7.753 3.695 3.161 1.00 1.19 O ATOM 330 CB VAL A 21 10.704 2.232 3.126 1.00 1.30 C ATOM 331 CG1 VAL A 21 9.971 1.902 1.817 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.195 2.518 2.824 1.00 1.38 C ATOM 0 H VAL A 21 11.353 3.036 5.422 1.00 1.33 H new ATOM 0 HA VAL A 21 10.212 4.323 3.133 1.00 1.30 H new ATOM 0 HB VAL A 21 10.637 1.386 3.810 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.432 1.031 1.351 1.00 1.26 H new ATOM 0 HG12 VAL A 21 8.924 1.688 2.030 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.036 2.753 1.139 1.00 1.26 H new ATOM 0 HG21 VAL A 21 12.647 1.641 2.361 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.272 3.367 2.145 1.00 1.38 H new ATOM 0 HG23 VAL A 21 12.717 2.748 3.753 1.00 1.38 H new ATOM 342 N LYS A 22 8.129 2.531 4.983 1.00 1.19 N ATOM 343 CA LYS A 22 6.680 2.322 5.178 1.00 1.12 C ATOM 344 C LYS A 22 6.073 3.696 5.416 1.00 1.12 C ATOM 345 O LYS A 22 5.088 4.042 4.831 1.00 1.09 O ATOM 346 CB LYS A 22 6.456 1.381 6.381 1.00 1.09 C ATOM 347 CG LYS A 22 5.020 1.522 6.969 1.00 1.03 C ATOM 348 CD LYS A 22 5.067 1.411 8.502 1.00 1.03 C ATOM 349 CE LYS A 22 5.746 2.660 9.106 1.00 1.09 C ATOM 350 NZ LYS A 22 6.816 2.227 10.049 1.00 1.14 N ATOM 0 H LYS A 22 8.733 2.108 5.688 1.00 1.19 H new ATOM 0 HA LYS A 22 6.210 1.854 4.313 1.00 1.12 H new ATOM 0 HB2 LYS A 22 6.622 0.349 6.071 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.189 1.602 7.157 1.00 1.09 H new ATOM 0 HG2 LYS A 22 4.592 2.481 6.678 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.373 0.747 6.560 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.056 1.310 8.898 1.00 1.03 H new ATOM 0 HD3 LYS A 22 5.614 0.514 8.792 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.170 3.277 8.314 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.010 3.272 9.628 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 7.277 3.064 10.459 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.397 1.655 10.810 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.521 1.659 9.537 1.00 1.14 H new ATOM 364 N LYS A 23 6.654 4.468 6.284 1.00 1.17 N ATOM 365 CA LYS A 23 6.102 5.827 6.570 1.00 1.18 C ATOM 366 C LYS A 23 5.960 6.637 5.272 1.00 1.20 C ATOM 367 O LYS A 23 5.136 7.528 5.174 1.00 1.20 O ATOM 368 CB LYS A 23 7.043 6.570 7.523 1.00 1.25 C ATOM 369 CG LYS A 23 7.080 5.860 8.881 1.00 1.23 C ATOM 370 CD LYS A 23 7.659 6.803 9.940 1.00 1.29 C ATOM 371 CE LYS A 23 7.594 6.137 11.317 1.00 1.36 C ATOM 372 NZ LYS A 23 7.768 7.171 12.376 1.00 1.39 N ATOM 0 H LYS A 23 7.491 4.221 6.813 1.00 1.17 H new ATOM 0 HA LYS A 23 5.119 5.713 7.027 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.046 6.612 7.098 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.707 7.599 7.650 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.075 5.549 9.167 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.686 4.957 8.814 1.00 1.23 H new ATOM 0 HD2 LYS A 23 8.691 7.051 9.694 1.00 1.29 H new ATOM 0 HD3 LYS A 23 7.100 7.739 9.952 1.00 1.29 H new ATOM 0 HE2 LYS A 23 6.638 5.629 11.443 1.00 1.36 H new ATOM 0 HE3 LYS A 23 8.372 5.378 11.403 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 7.724 6.720 13.312 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 8.691 7.636 12.259 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 7.011 7.879 12.297 1.00 1.39 H new ATOM 386 N THR A 24 6.748 6.344 4.270 1.00 1.22 N ATOM 387 CA THR A 24 6.638 7.115 2.993 1.00 1.24 C ATOM 388 C THR A 24 5.506 6.527 2.167 1.00 1.18 C ATOM 389 O THR A 24 4.761 7.231 1.511 1.00 1.18 O ATOM 390 CB THR A 24 7.957 7.025 2.219 1.00 1.30 C ATOM 391 OG1 THR A 24 9.032 7.366 3.083 1.00 1.36 O ATOM 392 CG2 THR A 24 7.929 7.992 1.032 1.00 1.31 C ATOM 0 H THR A 24 7.457 5.611 4.278 1.00 1.22 H new ATOM 0 HA THR A 24 6.431 8.164 3.206 1.00 1.24 H new ATOM 0 HB THR A 24 8.091 6.008 1.849 1.00 1.30 H new ATOM 0 HG1 THR A 24 9.177 6.642 3.727 1.00 1.36 H new ATOM 0 HG21 THR A 24 8.869 7.924 0.485 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.104 7.731 0.369 1.00 1.31 H new ATOM 0 HG23 THR A 24 7.794 9.011 1.396 1.00 1.31 H new ATOM 400 N LEU A 25 5.340 5.243 2.232 1.00 1.13 N ATOM 401 CA LEU A 25 4.228 4.609 1.500 1.00 1.07 C ATOM 402 C LEU A 25 2.938 5.180 2.092 1.00 1.03 C ATOM 403 O LEU A 25 1.957 5.412 1.401 1.00 0.99 O ATOM 404 CB LEU A 25 4.316 3.095 1.706 1.00 1.03 C ATOM 405 CG LEU A 25 5.561 2.555 0.981 1.00 1.08 C ATOM 406 CD1 LEU A 25 5.766 1.061 1.326 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.415 2.753 -0.550 1.00 1.09 C ATOM 0 H LEU A 25 5.931 4.605 2.764 1.00 1.13 H new ATOM 0 HA LEU A 25 4.261 4.805 0.428 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.372 2.864 2.770 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.418 2.611 1.321 1.00 1.03 H new ATOM 0 HG LEU A 25 6.438 3.109 1.315 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.649 0.686 0.809 1.00 1.06 H new ATOM 0 HD12 LEU A 25 5.902 0.951 2.402 1.00 1.06 H new ATOM 0 HD13 LEU A 25 4.892 0.491 1.011 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.302 2.367 -1.053 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.535 2.216 -0.904 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.306 3.815 -0.771 1.00 1.09 H new ATOM 419 N ILE A 26 2.960 5.464 3.373 1.00 1.04 N ATOM 420 CA ILE A 26 1.773 6.073 4.015 1.00 1.01 C ATOM 421 C ILE A 26 1.531 7.398 3.313 1.00 1.05 C ATOM 422 O ILE A 26 0.480 7.640 2.801 1.00 1.02 O ATOM 423 CB ILE A 26 2.040 6.328 5.514 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.295 5.000 6.230 1.00 0.99 C ATOM 425 CG2 ILE A 26 0.825 7.001 6.169 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.506 5.239 7.730 1.00 1.01 C ATOM 0 H ILE A 26 3.752 5.297 3.993 1.00 1.04 H new ATOM 0 HA ILE A 26 0.911 5.411 3.936 1.00 1.01 H new ATOM 0 HB ILE A 26 2.911 6.978 5.598 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.451 4.328 6.077 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.172 4.512 5.805 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.030 7.174 7.226 1.00 1.02 H new ATOM 0 HG22 ILE A 26 0.628 7.954 5.677 1.00 1.02 H new ATOM 0 HG23 ILE A 26 -0.047 6.354 6.070 1.00 1.02 H new ATOM 0 HD11 ILE A 26 2.686 4.287 8.228 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.365 5.894 7.877 1.00 1.01 H new ATOM 0 HD13 ILE A 26 1.617 5.707 8.153 1.00 1.01 H new ATOM 438 N THR A 27 2.510 8.255 3.291 1.00 1.11 N ATOM 439 CA THR A 27 2.337 9.581 2.627 1.00 1.15 C ATOM 440 C THR A 27 1.625 9.440 1.264 1.00 1.12 C ATOM 441 O THR A 27 0.784 10.242 0.920 1.00 1.12 O ATOM 442 CB THR A 27 3.721 10.220 2.435 1.00 1.23 C ATOM 443 OG1 THR A 27 4.241 10.593 3.703 1.00 1.27 O ATOM 444 CG2 THR A 27 3.608 11.464 1.549 1.00 1.27 C ATOM 0 H THR A 27 3.428 8.096 3.705 1.00 1.11 H new ATOM 0 HA THR A 27 1.713 10.214 3.259 1.00 1.15 H new ATOM 0 HB THR A 27 4.385 9.501 1.956 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.125 11.000 3.587 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.594 11.909 1.419 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.206 11.182 0.576 1.00 1.27 H new ATOM 0 HG23 THR A 27 2.943 12.187 2.021 1.00 1.27 H new ATOM 452 N PHE A 28 1.951 8.446 0.483 1.00 1.10 N ATOM 453 CA PHE A 28 1.284 8.299 -0.854 1.00 1.07 C ATOM 454 C PHE A 28 -0.234 8.115 -0.655 1.00 1.01 C ATOM 455 O PHE A 28 -1.049 8.843 -1.218 1.00 1.02 O ATOM 456 CB PHE A 28 1.927 7.099 -1.607 1.00 1.05 C ATOM 457 CG PHE A 28 0.916 6.347 -2.455 1.00 1.03 C ATOM 458 CD1 PHE A 28 0.305 6.980 -3.543 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.582 5.020 -2.140 1.00 0.97 C ATOM 460 CE1 PHE A 28 -0.641 6.292 -4.310 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.359 4.333 -2.913 1.00 0.96 C ATOM 462 CZ PHE A 28 -0.973 4.969 -3.996 1.00 1.00 C ATOM 0 H PHE A 28 2.644 7.732 0.705 1.00 1.10 H new ATOM 0 HA PHE A 28 1.427 9.194 -1.459 1.00 1.07 H new ATOM 0 HB2 PHE A 28 2.734 7.462 -2.243 1.00 1.05 H new ATOM 0 HB3 PHE A 28 2.373 6.415 -0.885 1.00 1.05 H new ATOM 0 HD1 PHE A 28 0.564 7.999 -3.790 1.00 1.08 H new ATOM 0 HD2 PHE A 28 1.052 4.530 -1.300 1.00 0.97 H new ATOM 0 HE1 PHE A 28 -1.116 6.783 -5.146 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.612 3.311 -2.673 1.00 0.96 H new ATOM 0 HZ PHE A 28 -1.703 4.440 -4.590 1.00 1.00 H new ATOM 472 N VAL A 29 -0.631 7.161 0.138 1.00 0.97 N ATOM 473 CA VAL A 29 -2.093 6.963 0.350 1.00 0.92 C ATOM 474 C VAL A 29 -2.672 8.199 1.064 1.00 0.95 C ATOM 475 O VAL A 29 -3.729 8.683 0.720 1.00 0.94 O ATOM 476 CB VAL A 29 -2.331 5.698 1.193 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.729 5.129 0.906 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.272 4.646 0.843 1.00 0.85 C ATOM 0 H VAL A 29 -0.019 6.519 0.642 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.591 6.838 -0.611 1.00 0.92 H new ATOM 0 HB VAL A 29 -2.260 5.955 2.250 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.888 4.234 1.507 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.484 5.874 1.158 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.808 4.875 -0.151 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.439 3.749 1.439 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.343 4.396 -0.216 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.280 5.044 1.056 1.00 0.85 H new ATOM 488 N ASN A 30 -1.969 8.714 2.041 1.00 0.99 N ATOM 489 CA ASN A 30 -2.434 9.918 2.787 1.00 1.03 C ATOM 490 C ASN A 30 -2.618 11.064 1.802 1.00 1.06 C ATOM 491 O ASN A 30 -3.257 12.041 2.084 1.00 1.09 O ATOM 492 CB ASN A 30 -1.361 10.296 3.833 1.00 1.08 C ATOM 493 CG ASN A 30 -2.008 10.622 5.181 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.773 9.838 6.191 1.00 1.11 O flip ATOM 495 ND2 ASN A 30 -2.728 11.592 5.312 1.00 1.06 N flip ATOM 0 H ASN A 30 -1.074 8.341 2.358 1.00 0.99 H new ATOM 0 HA ASN A 30 -3.380 9.715 3.290 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.657 9.473 3.952 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.790 11.155 3.481 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -2.909 12.204 4.516 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -3.151 11.794 6.218 1.00 1.06 H new ATOM 502 N LYS A 31 -2.042 10.945 0.654 1.00 1.07 N ATOM 503 CA LYS A 31 -2.155 12.023 -0.354 1.00 1.11 C ATOM 504 C LYS A 31 -3.510 11.911 -1.023 1.00 1.06 C ATOM 505 O LYS A 31 -4.301 12.846 -1.033 1.00 1.08 O ATOM 506 CB LYS A 31 -1.039 11.865 -1.400 1.00 1.13 C ATOM 507 CG LYS A 31 -0.836 13.189 -2.164 1.00 1.18 C ATOM 508 CD LYS A 31 0.131 14.102 -1.399 1.00 1.19 C ATOM 509 CE LYS A 31 0.405 15.360 -2.224 1.00 1.23 C ATOM 510 NZ LYS A 31 -0.846 16.163 -2.333 1.00 1.29 N ATOM 0 H LYS A 31 -1.490 10.138 0.363 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.056 12.999 0.121 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.110 11.573 -0.910 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.295 11.069 -2.099 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -0.443 12.985 -3.160 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -1.794 13.692 -2.296 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -0.295 14.373 -0.433 1.00 1.19 H new ATOM 0 HD3 LYS A 31 1.064 13.575 -1.199 1.00 1.19 H new ATOM 0 HE2 LYS A 31 1.191 15.952 -1.754 1.00 1.23 H new ATOM 0 HE3 LYS A 31 0.762 15.086 -3.217 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 -0.617 17.116 -2.680 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 -1.499 15.700 -2.997 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 -1.296 16.234 -1.398 1.00 1.29 H new ATOM 524 N HIS A 32 -3.813 10.766 -1.565 1.00 1.01 N ATOM 525 CA HIS A 32 -5.093 10.605 -2.201 1.00 0.97 C ATOM 526 C HIS A 32 -6.150 10.691 -1.106 1.00 0.95 C ATOM 527 O HIS A 32 -7.267 11.062 -1.336 1.00 0.95 O ATOM 528 CB HIS A 32 -5.070 9.236 -2.902 1.00 0.91 C ATOM 529 CG HIS A 32 -5.180 9.407 -4.396 1.00 0.93 C ATOM 530 ND1 HIS A 32 -4.193 8.959 -5.261 1.00 0.89 N ATOM 531 CD2 HIS A 32 -6.134 9.990 -5.187 1.00 0.98 C ATOM 532 CE1 HIS A 32 -4.574 9.281 -6.508 1.00 0.93 C ATOM 533 NE2 HIS A 32 -5.749 9.911 -6.519 1.00 0.98 N ATOM 0 H HIS A 32 -3.208 9.945 -1.581 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.317 11.368 -2.946 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -4.147 8.711 -2.657 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -5.893 8.621 -2.539 1.00 0.91 H new ATOM 0 HD1 HIS A 32 -3.335 8.474 -4.998 1.00 0.89 H new ATOM 0 HD2 HIS A 32 -7.047 10.442 -4.829 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -3.999 9.057 -7.394 1.00 0.93 H new ATOM 541 N LEU A 33 -5.783 10.396 0.102 1.00 0.95 N ATOM 542 CA LEU A 33 -6.758 10.494 1.216 1.00 0.94 C ATOM 543 C LEU A 33 -6.768 11.942 1.690 1.00 1.01 C ATOM 544 O LEU A 33 -7.810 12.531 1.896 1.00 1.02 O ATOM 545 CB LEU A 33 -6.315 9.550 2.343 1.00 0.92 C ATOM 546 CG LEU A 33 -6.979 8.165 2.190 1.00 0.85 C ATOM 547 CD1 LEU A 33 -6.172 7.116 2.962 1.00 0.82 C ATOM 548 CD2 LEU A 33 -8.407 8.194 2.752 1.00 0.84 C ATOM 0 H LEU A 33 -4.847 10.090 0.369 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.761 10.206 0.902 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -5.230 9.442 2.328 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.579 9.980 3.309 1.00 0.92 H new ATOM 0 HG LEU A 33 -7.008 7.912 1.130 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -6.644 6.140 2.851 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -5.157 7.075 2.567 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -6.140 7.386 4.018 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -8.863 7.211 2.637 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -8.377 8.459 3.809 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.997 8.933 2.209 1.00 0.84 H new ATOM 560 N ASN A 34 -5.611 12.529 1.852 1.00 1.05 N ATOM 561 CA ASN A 34 -5.568 13.949 2.296 1.00 1.12 C ATOM 562 C ASN A 34 -6.537 14.774 1.441 1.00 1.14 C ATOM 563 O ASN A 34 -7.033 15.790 1.883 1.00 1.18 O ATOM 564 CB ASN A 34 -4.140 14.509 2.165 1.00 1.18 C ATOM 565 CG ASN A 34 -4.159 16.042 2.226 1.00 1.25 C ATOM 566 OD1 ASN A 34 -4.081 16.703 1.210 1.00 1.26 O ATOM 567 ND2 ASN A 34 -4.260 16.636 3.384 1.00 1.29 N ATOM 0 H ASN A 34 -4.703 12.090 1.697 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.865 14.007 3.343 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.513 14.115 2.965 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -3.699 14.182 1.223 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -4.273 17.655 3.435 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -4.326 16.082 4.238 1.00 1.29 H new ATOM 574 N LYS A 35 -6.838 14.365 0.226 1.00 1.11 N ATOM 575 CA LYS A 35 -7.796 15.187 -0.556 1.00 1.13 C ATOM 576 C LYS A 35 -9.110 15.217 0.217 1.00 1.11 C ATOM 577 O LYS A 35 -9.624 16.269 0.543 1.00 1.16 O ATOM 578 CB LYS A 35 -7.981 14.594 -1.950 1.00 1.10 C ATOM 579 CG LYS A 35 -6.717 14.881 -2.779 1.00 0.97 C ATOM 580 CD LYS A 35 -6.958 14.565 -4.262 1.00 1.01 C ATOM 581 CE LYS A 35 -6.674 13.092 -4.543 1.00 1.10 C ATOM 582 NZ LYS A 35 -7.276 12.712 -5.851 1.00 1.15 N ATOM 0 H LYS A 35 -6.474 13.531 -0.235 1.00 1.11 H new ATOM 0 HA LYS A 35 -7.424 16.203 -0.688 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -8.154 13.520 -1.884 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -8.856 15.029 -2.433 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -6.432 15.927 -2.666 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -5.887 14.282 -2.405 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -7.988 14.801 -4.528 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.317 15.191 -4.883 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -5.599 12.915 -4.560 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -7.087 12.473 -3.747 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -8.178 12.221 -5.688 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -7.445 13.568 -6.417 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -6.626 12.081 -6.362 1.00 1.15 H new ATOM 596 N LEU A 36 -9.628 14.074 0.568 1.00 1.04 N ATOM 597 CA LEU A 36 -10.874 14.049 1.384 1.00 1.02 C ATOM 598 C LEU A 36 -10.489 14.481 2.802 1.00 1.05 C ATOM 599 O LEU A 36 -11.264 14.412 3.732 1.00 1.03 O ATOM 600 CB LEU A 36 -11.424 12.626 1.410 1.00 0.95 C ATOM 601 CG LEU A 36 -12.888 12.609 1.891 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.801 13.342 0.885 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.345 11.151 2.036 1.00 0.89 C ATOM 0 H LEU A 36 -9.245 13.160 0.327 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.634 14.712 0.971 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.360 12.189 0.413 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.814 12.008 2.069 1.00 0.95 H new ATOM 0 HG LEU A 36 -12.955 13.121 2.851 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.830 13.318 1.243 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.475 14.377 0.785 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -13.743 12.848 -0.085 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.380 11.126 2.376 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -13.268 10.648 1.072 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -12.712 10.642 2.763 1.00 0.89 H new ATOM 615 N ASN A 37 -9.268 14.909 2.944 1.00 1.11 N ATOM 616 CA ASN A 37 -8.726 15.359 4.246 1.00 1.16 C ATOM 617 C ASN A 37 -8.917 14.298 5.322 1.00 1.11 C ATOM 618 O ASN A 37 -9.744 14.404 6.203 1.00 1.12 O ATOM 619 CB ASN A 37 -9.343 16.697 4.644 1.00 1.22 C ATOM 620 CG ASN A 37 -10.791 16.545 5.126 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.714 16.599 4.337 1.00 1.16 O ATOM 622 ND2 ASN A 37 -11.034 16.387 6.398 1.00 1.21 N ATOM 0 H ASN A 37 -8.600 14.966 2.176 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.651 15.508 4.141 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.744 17.151 5.434 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.315 17.376 3.792 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -11.996 16.309 6.728 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -10.262 16.341 7.063 1.00 1.21 H new ATOM 629 N LEU A 38 -8.107 13.281 5.255 1.00 1.06 N ATOM 630 CA LEU A 38 -8.154 12.181 6.268 1.00 1.02 C ATOM 631 C LEU A 38 -6.723 11.910 6.742 1.00 1.02 C ATOM 632 O LEU A 38 -5.864 12.763 6.643 1.00 1.06 O ATOM 633 CB LEU A 38 -8.751 10.918 5.645 1.00 0.98 C ATOM 634 CG LEU A 38 -10.249 11.122 5.363 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.789 9.905 4.599 1.00 0.96 C ATOM 636 CD2 LEU A 38 -11.028 11.295 6.687 1.00 1.02 C ATOM 0 H LEU A 38 -7.400 13.159 4.530 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.780 12.472 7.111 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.228 10.679 4.719 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.612 10.071 6.317 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.380 12.022 4.763 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.851 10.044 4.396 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -10.251 9.799 3.657 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.649 9.007 5.200 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -12.087 11.438 6.470 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.901 10.405 7.303 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.646 12.164 7.223 1.00 1.02 H new ATOM 648 N GLU A 39 -6.449 10.745 7.263 1.00 1.02 N ATOM 649 CA GLU A 39 -5.062 10.471 7.740 1.00 1.03 C ATOM 650 C GLU A 39 -4.866 8.984 8.060 1.00 0.98 C ATOM 651 O GLU A 39 -5.494 8.438 8.945 1.00 0.95 O ATOM 652 CB GLU A 39 -4.796 11.293 9.001 1.00 1.08 C ATOM 653 CG GLU A 39 -3.313 11.204 9.368 1.00 1.11 C ATOM 654 CD GLU A 39 -3.036 12.084 10.587 1.00 1.16 C ATOM 655 OE1 GLU A 39 -3.434 13.237 10.563 1.00 1.24 O ATOM 656 OE2 GLU A 39 -2.432 11.590 11.525 1.00 1.13 O ATOM 0 H GLU A 39 -7.114 9.980 7.378 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.366 10.746 6.948 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -5.078 12.333 8.836 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -5.408 10.923 9.824 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -3.042 10.170 9.583 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.699 11.526 8.527 1.00 1.11 H new ATOM 663 N VAL A 40 -3.969 8.338 7.361 1.00 0.98 N ATOM 664 CA VAL A 40 -3.675 6.891 7.624 1.00 0.94 C ATOM 665 C VAL A 40 -2.353 6.814 8.397 1.00 0.95 C ATOM 666 O VAL A 40 -1.564 7.738 8.373 1.00 0.99 O ATOM 667 CB VAL A 40 -3.559 6.150 6.283 1.00 0.91 C ATOM 668 CG1 VAL A 40 -2.746 6.995 5.297 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.877 4.788 6.486 1.00 0.89 C ATOM 0 H VAL A 40 -3.419 8.754 6.609 1.00 0.98 H new ATOM 0 HA VAL A 40 -4.470 6.427 8.207 1.00 0.94 H new ATOM 0 HB VAL A 40 -4.559 5.986 5.881 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -2.665 6.468 4.347 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -3.245 7.951 5.140 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.749 7.168 5.702 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.801 4.273 5.528 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.879 4.939 6.897 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.467 4.185 7.176 1.00 0.89 H new ATOM 679 N THR A 41 -2.107 5.733 9.100 1.00 0.93 N ATOM 680 CA THR A 41 -0.835 5.624 9.889 1.00 0.95 C ATOM 681 C THR A 41 -0.269 4.200 9.830 1.00 0.91 C ATOM 682 O THR A 41 0.903 3.992 10.074 1.00 0.96 O ATOM 683 CB THR A 41 -1.125 5.970 11.357 1.00 1.01 C ATOM 684 OG1 THR A 41 -2.084 7.016 11.413 1.00 1.12 O ATOM 685 CG2 THR A 41 0.163 6.417 12.055 1.00 1.20 C ATOM 0 H THR A 41 -2.727 4.926 9.162 1.00 0.93 H new ATOM 0 HA THR A 41 -0.106 6.313 9.461 1.00 0.95 H new ATOM 0 HB THR A 41 -1.515 5.087 11.864 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.272 7.238 12.349 1.00 1.12 H new ATOM 0 HG21 THR A 41 -0.053 6.660 13.095 1.00 1.20 H new ATOM 0 HG22 THR A 41 0.897 5.612 12.015 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.563 7.297 11.552 1.00 1.20 H new ATOM 693 N GLU A 42 -1.088 3.215 9.543 1.00 0.86 N ATOM 694 CA GLU A 42 -0.582 1.801 9.508 1.00 0.83 C ATOM 695 C GLU A 42 -0.710 1.228 8.103 1.00 0.81 C ATOM 696 O GLU A 42 -1.630 0.501 7.804 1.00 0.88 O ATOM 697 CB GLU A 42 -1.411 0.952 10.475 1.00 0.78 C ATOM 698 CG GLU A 42 -1.572 1.696 11.802 1.00 0.77 C ATOM 699 CD GLU A 42 -2.253 0.781 12.821 1.00 0.78 C ATOM 700 OE1 GLU A 42 -3.408 0.449 12.611 1.00 0.83 O ATOM 701 OE2 GLU A 42 -1.608 0.428 13.795 1.00 0.84 O ATOM 0 H GLU A 42 -2.080 3.326 9.332 1.00 0.86 H new ATOM 0 HA GLU A 42 0.468 1.790 9.800 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -2.390 0.742 10.043 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.923 -0.008 10.642 1.00 0.78 H new ATOM 0 HG2 GLU A 42 -0.597 2.011 12.175 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -2.165 2.599 11.655 1.00 0.77 H new ATOM 708 N LEU A 43 0.222 1.514 7.242 1.00 0.80 N ATOM 709 CA LEU A 43 0.143 0.953 5.872 1.00 0.78 C ATOM 710 C LEU A 43 0.024 -0.572 5.993 1.00 0.74 C ATOM 711 O LEU A 43 -0.773 -1.209 5.336 1.00 0.70 O ATOM 712 CB LEU A 43 1.415 1.364 5.110 1.00 0.86 C ATOM 713 CG LEU A 43 1.543 0.629 3.766 1.00 0.83 C ATOM 714 CD1 LEU A 43 1.982 -0.842 3.964 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.203 0.707 3.013 1.00 0.90 C ATOM 0 H LEU A 43 1.030 2.108 7.427 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.722 1.328 5.325 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.401 2.440 4.935 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.290 1.152 5.724 1.00 0.86 H new ATOM 0 HG LEU A 43 2.317 1.116 3.173 1.00 0.83 H new ATOM 0 HD11 LEU A 43 2.062 -1.331 2.993 1.00 0.85 H new ATOM 0 HD12 LEU A 43 2.950 -0.869 4.465 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.243 -1.363 4.573 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.291 0.187 2.059 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.578 0.239 3.611 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -0.054 1.751 2.834 1.00 0.90 H new ATOM 727 N GLU A 44 0.822 -1.165 6.827 1.00 0.79 N ATOM 728 CA GLU A 44 0.766 -2.653 6.979 1.00 0.77 C ATOM 729 C GLU A 44 -0.684 -3.154 7.201 1.00 0.69 C ATOM 730 O GLU A 44 -1.233 -3.923 6.424 1.00 0.70 O ATOM 731 CB GLU A 44 1.637 -3.072 8.189 1.00 0.83 C ATOM 732 CG GLU A 44 2.523 -1.910 8.630 1.00 0.84 C ATOM 733 CD GLU A 44 3.465 -2.375 9.742 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.508 -3.568 9.995 1.00 1.11 O ATOM 735 OE2 GLU A 44 4.127 -1.530 10.322 1.00 1.14 O ATOM 0 H GLU A 44 1.511 -0.693 7.412 1.00 0.79 H new ATOM 0 HA GLU A 44 1.141 -3.101 6.059 1.00 0.77 H new ATOM 0 HB2 GLU A 44 0.998 -3.385 9.015 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.255 -3.929 7.922 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.100 -1.538 7.783 1.00 0.84 H new ATOM 0 HG3 GLU A 44 1.907 -1.084 8.984 1.00 0.84 H new ATOM 742 N THR A 45 -1.289 -2.748 8.273 1.00 0.65 N ATOM 743 CA THR A 45 -2.668 -3.222 8.583 1.00 0.60 C ATOM 744 C THR A 45 -3.701 -2.524 7.704 1.00 0.58 C ATOM 745 O THR A 45 -4.880 -2.795 7.793 1.00 0.58 O ATOM 746 CB THR A 45 -2.982 -2.933 10.054 1.00 0.65 C ATOM 747 OG1 THR A 45 -3.422 -1.589 10.186 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.724 -3.144 10.899 1.00 0.64 C ATOM 0 H THR A 45 -0.890 -2.104 8.956 1.00 0.65 H new ATOM 0 HA THR A 45 -2.716 -4.293 8.387 1.00 0.60 H new ATOM 0 HB THR A 45 -3.765 -3.609 10.398 1.00 0.65 H new ATOM 0 HG1 THR A 45 -3.255 -1.278 11.100 1.00 0.84 H new ATOM 0 HG21 THR A 45 -1.950 -2.938 11.945 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.386 -4.175 10.797 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.939 -2.469 10.557 1.00 0.64 H new ATOM 756 N GLN A 46 -3.289 -1.639 6.845 1.00 0.59 N ATOM 757 CA GLN A 46 -4.279 -0.958 5.986 1.00 0.59 C ATOM 758 C GLN A 46 -4.719 -1.931 4.908 1.00 0.54 C ATOM 759 O GLN A 46 -5.767 -1.783 4.312 1.00 0.58 O ATOM 760 CB GLN A 46 -3.671 0.302 5.363 1.00 0.65 C ATOM 761 CG GLN A 46 -3.680 1.455 6.401 1.00 0.66 C ATOM 762 CD GLN A 46 -4.838 2.420 6.127 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.923 2.999 5.064 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.735 2.619 7.053 1.00 1.04 N ATOM 0 H GLN A 46 -2.317 -1.362 6.704 1.00 0.59 H new ATOM 0 HA GLN A 46 -5.140 -0.648 6.579 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.651 0.102 5.036 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -4.238 0.592 4.478 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.772 1.045 7.407 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.733 1.994 6.362 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.663 2.132 7.946 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.509 3.262 6.884 1.00 1.04 H new ATOM 773 N PHE A 47 -3.941 -2.961 4.677 1.00 0.50 N ATOM 774 CA PHE A 47 -4.333 -3.970 3.676 1.00 0.49 C ATOM 775 C PHE A 47 -5.065 -5.049 4.433 1.00 0.46 C ATOM 776 O PHE A 47 -5.796 -5.841 3.877 1.00 0.49 O ATOM 777 CB PHE A 47 -3.093 -4.554 2.994 1.00 0.54 C ATOM 778 CG PHE A 47 -2.730 -3.724 1.781 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.128 -2.471 1.942 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.992 -4.214 0.497 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.789 -1.710 0.817 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.651 -3.455 -0.626 1.00 0.83 C ATOM 783 CZ PHE A 47 -2.050 -2.203 -0.467 1.00 0.89 C ATOM 0 H PHE A 47 -3.052 -3.136 5.146 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.958 -3.533 2.897 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.258 -4.574 3.694 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.283 -5.585 2.696 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -1.925 -2.092 2.933 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -3.458 -5.180 0.373 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.326 -0.742 0.940 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.852 -3.836 -1.616 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.787 -1.616 -1.335 1.00 0.89 H new ATOM 793 N ALA A 48 -4.900 -5.051 5.720 1.00 0.42 N ATOM 794 CA ALA A 48 -5.612 -6.051 6.557 1.00 0.40 C ATOM 795 C ALA A 48 -7.105 -5.746 6.501 1.00 0.36 C ATOM 796 O ALA A 48 -7.856 -6.043 7.407 1.00 0.36 O ATOM 797 CB ALA A 48 -5.119 -5.983 8.004 1.00 0.42 C ATOM 0 H ALA A 48 -4.302 -4.403 6.232 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.418 -7.055 6.179 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.650 -6.722 8.604 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -4.050 -6.192 8.034 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -5.306 -4.987 8.406 1.00 0.42 H new ATOM 803 N ASP A 49 -7.519 -5.134 5.432 1.00 0.34 N ATOM 804 CA ASP A 49 -8.940 -4.765 5.260 1.00 0.32 C ATOM 805 C ASP A 49 -9.158 -4.200 3.852 1.00 0.31 C ATOM 806 O ASP A 49 -10.274 -4.017 3.414 1.00 0.31 O ATOM 807 CB ASP A 49 -9.270 -3.690 6.285 1.00 0.32 C ATOM 808 CG ASP A 49 -8.381 -2.466 6.051 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.390 -1.951 4.947 1.00 0.36 O ATOM 810 OD2 ASP A 49 -7.705 -2.065 6.984 1.00 0.34 O ATOM 0 H ASP A 49 -6.915 -4.869 4.654 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.577 -5.639 5.396 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -10.320 -3.409 6.207 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -9.117 -4.075 7.293 1.00 0.32 H new ATOM 815 N GLY A 50 -8.101 -3.925 3.137 1.00 0.32 N ATOM 816 CA GLY A 50 -8.256 -3.358 1.761 1.00 0.33 C ATOM 817 C GLY A 50 -9.279 -2.199 1.770 1.00 0.33 C ATOM 818 O GLY A 50 -9.705 -1.726 0.729 1.00 0.34 O ATOM 0 H GLY A 50 -7.138 -4.067 3.443 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.293 -2.999 1.398 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.586 -4.138 1.074 1.00 0.33 H new ATOM 822 N VAL A 51 -9.680 -1.738 2.931 1.00 0.33 N ATOM 823 CA VAL A 51 -10.677 -0.619 2.999 1.00 0.36 C ATOM 824 C VAL A 51 -10.029 0.686 2.543 1.00 0.40 C ATOM 825 O VAL A 51 -10.432 1.288 1.567 1.00 0.42 O ATOM 826 CB VAL A 51 -11.118 -0.438 4.457 1.00 0.37 C ATOM 827 CG1 VAL A 51 -11.895 0.881 4.625 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.010 -1.606 4.894 1.00 0.36 C ATOM 0 H VAL A 51 -9.361 -2.087 3.835 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.525 -0.859 2.357 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.224 -0.412 5.080 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.200 0.993 5.665 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -11.257 1.718 4.342 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -12.779 0.866 3.987 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.315 -1.463 5.931 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.894 -1.646 4.258 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.456 -2.540 4.804 1.00 0.36 H new ATOM 838 N TYR A 52 -9.033 1.132 3.255 1.00 0.41 N ATOM 839 CA TYR A 52 -8.366 2.401 2.878 1.00 0.47 C ATOM 840 C TYR A 52 -7.924 2.299 1.430 1.00 0.47 C ATOM 841 O TYR A 52 -7.593 3.279 0.791 1.00 0.51 O ATOM 842 CB TYR A 52 -7.153 2.629 3.778 1.00 0.49 C ATOM 843 CG TYR A 52 -7.619 3.061 5.150 1.00 0.51 C ATOM 844 CD1 TYR A 52 -8.154 2.116 6.035 1.00 0.48 C ATOM 845 CD2 TYR A 52 -7.517 4.404 5.537 1.00 0.57 C ATOM 846 CE1 TYR A 52 -8.588 2.514 7.305 1.00 0.51 C ATOM 847 CE2 TYR A 52 -7.951 4.801 6.808 1.00 0.60 C ATOM 848 CZ TYR A 52 -8.486 3.856 7.692 1.00 0.57 C ATOM 849 OH TYR A 52 -8.913 4.247 8.944 1.00 0.60 O ATOM 0 H TYR A 52 -8.654 0.670 4.082 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.053 3.238 2.998 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.565 1.714 3.853 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -6.504 3.391 3.346 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -8.232 1.081 5.738 1.00 0.48 H new ATOM 0 HD2 TYR A 52 -7.104 5.133 4.855 1.00 0.57 H new ATOM 0 HE1 TYR A 52 -9.002 1.786 7.987 1.00 0.51 H new ATOM 0 HE2 TYR A 52 -7.873 5.836 7.106 1.00 0.60 H new ATOM 0 HH TYR A 52 -8.771 5.211 9.052 1.00 0.60 H new ATOM 859 N LEU A 53 -7.924 1.110 0.905 1.00 0.43 N ATOM 860 CA LEU A 53 -7.502 0.933 -0.513 1.00 0.44 C ATOM 861 C LEU A 53 -8.617 1.432 -1.436 1.00 0.45 C ATOM 862 O LEU A 53 -8.427 2.361 -2.197 1.00 0.50 O ATOM 863 CB LEU A 53 -7.198 -0.561 -0.779 1.00 0.41 C ATOM 864 CG LEU A 53 -5.684 -0.781 -0.973 1.00 0.44 C ATOM 865 CD1 LEU A 53 -4.948 -0.532 0.354 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.414 -2.222 -1.449 1.00 0.46 C ATOM 0 H LEU A 53 -8.196 0.255 1.391 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.598 1.510 -0.709 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -7.555 -1.164 0.056 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.736 -0.895 -1.666 1.00 0.41 H new ATOM 0 HG LEU A 53 -5.321 -0.082 -1.727 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -3.879 -0.689 0.212 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -5.124 0.493 0.681 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -5.319 -1.223 1.111 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -4.342 -2.366 -1.583 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.785 -2.927 -0.705 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -5.924 -2.394 -2.397 1.00 0.46 H new ATOM 878 N VAL A 54 -9.777 0.833 -1.390 1.00 0.43 N ATOM 879 CA VAL A 54 -10.862 1.312 -2.286 1.00 0.46 C ATOM 880 C VAL A 54 -11.037 2.823 -2.098 1.00 0.51 C ATOM 881 O VAL A 54 -11.422 3.535 -3.010 1.00 0.55 O ATOM 882 CB VAL A 54 -12.160 0.574 -1.960 1.00 0.44 C ATOM 883 CG1 VAL A 54 -13.238 0.973 -2.971 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.910 -0.940 -2.039 1.00 0.41 C ATOM 0 H VAL A 54 -10.015 0.049 -0.783 1.00 0.43 H new ATOM 0 HA VAL A 54 -10.603 1.112 -3.326 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.494 0.836 -0.956 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -14.165 0.448 -2.741 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -13.407 2.048 -2.917 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -12.910 0.707 -3.976 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -12.832 -1.474 -1.808 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -11.581 -1.203 -3.045 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -11.139 -1.219 -1.321 1.00 0.41 H new ATOM 894 N LEU A 55 -10.729 3.331 -0.932 1.00 0.52 N ATOM 895 CA LEU A 55 -10.858 4.798 -0.715 1.00 0.58 C ATOM 896 C LEU A 55 -9.928 5.502 -1.711 1.00 0.62 C ATOM 897 O LEU A 55 -10.371 6.258 -2.541 1.00 0.66 O ATOM 898 CB LEU A 55 -10.445 5.140 0.736 1.00 0.59 C ATOM 899 CG LEU A 55 -11.694 5.302 1.631 1.00 0.60 C ATOM 900 CD1 LEU A 55 -11.320 5.056 3.098 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.252 6.724 1.486 1.00 0.67 C ATOM 0 H LEU A 55 -10.397 2.797 -0.129 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.886 5.125 -0.868 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -9.805 4.352 1.134 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -9.861 6.060 0.747 1.00 0.59 H new ATOM 0 HG LEU A 55 -12.448 4.578 1.322 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.205 5.172 3.723 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -10.927 4.045 3.209 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -10.562 5.776 3.406 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.133 6.835 2.118 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -11.493 7.445 1.790 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.527 6.903 0.446 1.00 0.67 H new ATOM 913 N LEU A 56 -8.645 5.214 -1.642 1.00 0.62 N ATOM 914 CA LEU A 56 -7.644 5.821 -2.583 1.00 0.66 C ATOM 915 C LEU A 56 -8.247 5.852 -3.988 1.00 0.67 C ATOM 916 O LEU A 56 -8.278 6.873 -4.648 1.00 0.72 O ATOM 917 CB LEU A 56 -6.367 4.937 -2.528 1.00 0.65 C ATOM 918 CG LEU A 56 -5.602 4.889 -3.868 1.00 0.69 C ATOM 919 CD1 LEU A 56 -5.137 6.289 -4.265 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.375 3.991 -3.701 1.00 0.66 C ATOM 0 H LEU A 56 -8.243 4.571 -0.959 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.387 6.844 -2.307 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.703 5.317 -1.752 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.647 3.924 -2.240 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.262 4.500 -4.643 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.599 6.239 -5.212 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -6.002 6.943 -4.373 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.477 6.686 -3.493 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -3.825 3.948 -4.641 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.730 4.397 -2.921 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.694 2.987 -3.421 1.00 0.66 H new ATOM 932 N MET A 57 -8.722 4.736 -4.437 1.00 0.62 N ATOM 933 CA MET A 57 -9.325 4.674 -5.799 1.00 0.63 C ATOM 934 C MET A 57 -10.407 5.748 -5.931 1.00 0.68 C ATOM 935 O MET A 57 -10.640 6.286 -6.996 1.00 0.72 O ATOM 936 CB MET A 57 -9.948 3.294 -6.019 1.00 0.58 C ATOM 937 CG MET A 57 -8.914 2.211 -5.703 1.00 0.55 C ATOM 938 SD MET A 57 -9.524 0.607 -6.279 1.00 0.60 S ATOM 939 CE MET A 57 -7.916 -0.211 -6.412 1.00 0.57 C ATOM 0 H MET A 57 -8.722 3.855 -3.922 1.00 0.62 H new ATOM 0 HA MET A 57 -8.550 4.847 -6.546 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.824 3.173 -5.381 1.00 0.58 H new ATOM 0 HB3 MET A 57 -10.288 3.197 -7.050 1.00 0.58 H new ATOM 0 HG2 MET A 57 -7.966 2.446 -6.187 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.725 2.176 -4.630 1.00 0.55 H new ATOM 0 HE1 MET A 57 -8.056 -1.235 -6.759 1.00 0.57 H new ATOM 0 HE2 MET A 57 -7.290 0.330 -7.122 1.00 0.57 H new ATOM 0 HE3 MET A 57 -7.431 -0.222 -5.436 1.00 0.57 H new ATOM 949 N GLY A 58 -11.080 6.053 -4.859 1.00 0.67 N ATOM 950 CA GLY A 58 -12.160 7.078 -4.921 1.00 0.73 C ATOM 951 C GLY A 58 -11.589 8.495 -4.943 1.00 0.79 C ATOM 952 O GLY A 58 -11.885 9.269 -5.831 1.00 0.84 O ATOM 0 H GLY A 58 -10.930 5.637 -3.940 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.766 6.915 -5.812 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.820 6.964 -4.061 1.00 0.73 H new ATOM 956 N LEU A 59 -10.797 8.863 -3.976 1.00 0.79 N ATOM 957 CA LEU A 59 -10.257 10.252 -3.976 1.00 0.86 C ATOM 958 C LEU A 59 -9.594 10.505 -5.325 1.00 0.88 C ATOM 959 O LEU A 59 -9.421 11.629 -5.747 1.00 0.94 O ATOM 960 CB LEU A 59 -9.260 10.465 -2.810 1.00 0.86 C ATOM 961 CG LEU A 59 -9.887 10.068 -1.429 1.00 0.82 C ATOM 962 CD1 LEU A 59 -11.415 10.289 -1.401 1.00 0.82 C ATOM 963 CD2 LEU A 59 -9.559 8.596 -1.093 1.00 0.87 C ATOM 0 H LEU A 59 -10.503 8.274 -3.197 1.00 0.79 H new ATOM 0 HA LEU A 59 -11.069 10.964 -3.826 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.363 9.872 -2.986 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.951 11.510 -2.782 1.00 0.86 H new ATOM 0 HG LEU A 59 -9.446 10.719 -0.674 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -11.807 10.001 -0.425 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -11.634 11.341 -1.583 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -11.885 9.681 -2.174 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -10.001 8.335 -0.131 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -9.966 7.946 -1.868 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -8.478 8.467 -1.042 1.00 0.87 H new ATOM 975 N LEU A 60 -9.275 9.456 -6.028 1.00 0.84 N ATOM 976 CA LEU A 60 -8.680 9.621 -7.383 1.00 0.87 C ATOM 977 C LEU A 60 -9.821 10.011 -8.316 1.00 0.91 C ATOM 978 O LEU A 60 -9.755 10.988 -9.035 1.00 0.96 O ATOM 979 CB LEU A 60 -8.042 8.292 -7.832 1.00 0.82 C ATOM 980 CG LEU A 60 -7.625 8.329 -9.323 1.00 0.87 C ATOM 981 CD1 LEU A 60 -8.847 8.183 -10.265 1.00 0.83 C ATOM 982 CD2 LEU A 60 -6.880 9.639 -9.628 1.00 0.91 C ATOM 0 H LEU A 60 -9.400 8.491 -5.723 1.00 0.84 H new ATOM 0 HA LEU A 60 -7.901 10.383 -7.390 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -7.168 8.082 -7.215 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -8.748 7.477 -7.672 1.00 0.82 H new ATOM 0 HG LEU A 60 -6.963 7.482 -9.504 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -8.513 8.214 -11.302 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -9.344 7.232 -10.072 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -9.545 9.000 -10.084 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -6.590 9.657 -10.679 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -7.533 10.486 -9.417 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -5.988 9.704 -9.005 1.00 0.91 H new ATOM 994 N GLU A 61 -10.887 9.260 -8.285 1.00 0.87 N ATOM 995 CA GLU A 61 -12.055 9.587 -9.145 1.00 0.91 C ATOM 996 C GLU A 61 -12.499 11.020 -8.840 1.00 0.96 C ATOM 997 O GLU A 61 -12.801 11.791 -9.729 1.00 1.00 O ATOM 998 CB GLU A 61 -13.196 8.606 -8.832 1.00 0.86 C ATOM 999 CG GLU A 61 -14.108 8.449 -10.053 1.00 0.82 C ATOM 1000 CD GLU A 61 -15.349 7.645 -9.663 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -15.352 7.087 -8.578 1.00 0.74 O ATOM 1002 OE2 GLU A 61 -16.275 7.600 -10.456 1.00 0.77 O ATOM 0 H GLU A 61 -10.998 8.432 -7.699 1.00 0.87 H new ATOM 0 HA GLU A 61 -11.790 9.503 -10.199 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -12.785 7.637 -8.549 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -13.774 8.968 -7.982 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -14.400 9.429 -10.430 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -13.573 7.944 -10.857 1.00 0.82 H new ATOM 1009 N GLY A 62 -12.536 11.376 -7.578 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.956 12.760 -7.184 1.00 1.01 C ATOM 1011 C GLY A 62 -14.348 12.714 -6.559 1.00 1.00 C ATOM 1012 O GLY A 62 -15.231 13.465 -6.921 1.00 1.03 O ATOM 0 H GLY A 62 -12.292 10.764 -6.799 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -12.242 13.180 -6.476 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -12.960 13.412 -8.057 1.00 1.01 H new ATOM 1016 N TYR A 63 -14.548 11.836 -5.621 1.00 0.96 N ATOM 1017 CA TYR A 63 -15.881 11.734 -4.963 1.00 0.95 C ATOM 1018 C TYR A 63 -15.730 11.053 -3.601 1.00 0.93 C ATOM 1019 O TYR A 63 -14.685 10.531 -3.269 1.00 0.89 O ATOM 1020 CB TYR A 63 -16.823 10.910 -5.844 1.00 0.91 C ATOM 1021 CG TYR A 63 -17.244 11.734 -7.039 1.00 0.95 C ATOM 1022 CD1 TYR A 63 -18.077 12.844 -6.860 1.00 0.99 C ATOM 1023 CD2 TYR A 63 -16.803 11.390 -8.324 1.00 0.94 C ATOM 1024 CE1 TYR A 63 -18.470 13.611 -7.963 1.00 1.03 C ATOM 1025 CE2 TYR A 63 -17.196 12.157 -9.428 1.00 0.98 C ATOM 1026 CZ TYR A 63 -18.030 13.268 -9.247 1.00 1.02 C ATOM 1027 OH TYR A 63 -18.417 14.025 -10.334 1.00 1.06 O ATOM 0 H TYR A 63 -13.845 11.181 -5.279 1.00 0.96 H new ATOM 0 HA TYR A 63 -16.294 12.733 -4.824 1.00 0.95 H new ATOM 0 HB2 TYR A 63 -16.325 9.999 -6.174 1.00 0.91 H new ATOM 0 HB3 TYR A 63 -17.699 10.605 -5.272 1.00 0.91 H new ATOM 0 HD1 TYR A 63 -18.417 13.109 -5.870 1.00 0.99 H new ATOM 0 HD2 TYR A 63 -16.160 10.533 -8.463 1.00 0.94 H new ATOM 0 HE1 TYR A 63 -19.113 14.468 -7.823 1.00 1.03 H new ATOM 0 HE2 TYR A 63 -16.856 11.892 -10.418 1.00 0.98 H new ATOM 0 HH TYR A 63 -18.023 13.651 -11.150 1.00 1.06 H new ATOM 1037 N PHE A 64 -16.769 11.057 -2.811 1.00 0.95 N ATOM 1038 CA PHE A 64 -16.692 10.412 -1.468 1.00 0.93 C ATOM 1039 C PHE A 64 -16.745 8.886 -1.615 1.00 0.86 C ATOM 1040 O PHE A 64 -16.975 8.363 -2.688 1.00 0.83 O ATOM 1041 CB PHE A 64 -17.848 10.919 -0.584 1.00 0.98 C ATOM 1042 CG PHE A 64 -19.144 10.171 -0.858 1.00 1.01 C ATOM 1043 CD1 PHE A 64 -19.455 9.710 -2.148 1.00 1.07 C ATOM 1044 CD2 PHE A 64 -20.043 9.949 0.193 1.00 0.98 C ATOM 1045 CE1 PHE A 64 -20.658 9.032 -2.379 1.00 1.10 C ATOM 1046 CE2 PHE A 64 -21.245 9.270 -0.040 1.00 1.01 C ATOM 1047 CZ PHE A 64 -21.552 8.812 -1.326 1.00 1.07 C ATOM 0 H PHE A 64 -17.669 11.480 -3.037 1.00 0.95 H new ATOM 0 HA PHE A 64 -15.748 10.676 -0.991 1.00 0.93 H new ATOM 0 HB2 PHE A 64 -17.579 10.805 0.466 1.00 0.98 H new ATOM 0 HB3 PHE A 64 -18.000 11.984 -0.761 1.00 0.98 H new ATOM 0 HD1 PHE A 64 -18.766 9.879 -2.962 1.00 1.07 H new ATOM 0 HD2 PHE A 64 -19.808 10.303 1.186 1.00 0.98 H new ATOM 0 HE1 PHE A 64 -20.896 8.678 -3.371 1.00 1.10 H new ATOM 0 HE2 PHE A 64 -21.935 9.100 0.773 1.00 1.01 H new ATOM 0 HZ PHE A 64 -22.479 8.289 -1.506 1.00 1.07 H new ATOM 1057 N VAL A 65 -16.522 8.170 -0.543 1.00 0.83 N ATOM 1058 CA VAL A 65 -16.543 6.676 -0.606 1.00 0.76 C ATOM 1059 C VAL A 65 -17.159 6.123 0.699 1.00 0.76 C ATOM 1060 O VAL A 65 -16.443 5.932 1.661 1.00 0.75 O ATOM 1061 CB VAL A 65 -15.097 6.165 -0.737 1.00 0.71 C ATOM 1062 CG1 VAL A 65 -15.102 4.720 -1.240 1.00 0.67 C ATOM 1063 CG2 VAL A 65 -14.333 7.043 -1.730 1.00 0.76 C ATOM 0 H VAL A 65 -16.325 8.558 0.380 1.00 0.83 H new ATOM 0 HA VAL A 65 -17.134 6.346 -1.460 1.00 0.76 H new ATOM 0 HB VAL A 65 -14.613 6.207 0.239 1.00 0.71 H new ATOM 0 HG11 VAL A 65 -14.076 4.363 -1.331 1.00 0.67 H new ATOM 0 HG12 VAL A 65 -15.644 4.091 -0.534 1.00 0.67 H new ATOM 0 HG13 VAL A 65 -15.589 4.675 -2.214 1.00 0.67 H new ATOM 0 HG21 VAL A 65 -13.309 6.681 -1.823 1.00 0.76 H new ATOM 0 HG22 VAL A 65 -14.822 7.002 -2.703 1.00 0.76 H new ATOM 0 HG23 VAL A 65 -14.323 8.073 -1.372 1.00 0.76 H new ATOM 1073 N PRO A 66 -18.463 5.887 0.725 1.00 0.78 N ATOM 1074 CA PRO A 66 -19.115 5.373 1.946 1.00 0.79 C ATOM 1075 C PRO A 66 -18.466 4.050 2.378 1.00 0.72 C ATOM 1076 O PRO A 66 -17.633 3.498 1.686 1.00 0.67 O ATOM 1077 CB PRO A 66 -20.602 5.186 1.560 1.00 0.81 C ATOM 1078 CG PRO A 66 -20.785 5.772 0.130 1.00 0.82 C ATOM 1079 CD PRO A 66 -19.380 6.105 -0.419 1.00 0.79 C ATOM 0 HA PRO A 66 -19.012 6.050 2.794 1.00 0.79 H new ATOM 0 HB2 PRO A 66 -20.875 4.131 1.581 1.00 0.81 H new ATOM 0 HB3 PRO A 66 -21.251 5.697 2.271 1.00 0.81 H new ATOM 0 HG2 PRO A 66 -21.289 5.054 -0.517 1.00 0.82 H new ATOM 0 HG3 PRO A 66 -21.407 6.667 0.159 1.00 0.82 H new ATOM 0 HD2 PRO A 66 -19.122 5.462 -1.261 1.00 0.79 H new ATOM 0 HD3 PRO A 66 -19.329 7.134 -0.776 1.00 0.79 H new ATOM 1087 N LEU A 67 -18.838 3.547 3.524 1.00 0.73 N ATOM 1088 CA LEU A 67 -18.245 2.276 4.014 1.00 0.68 C ATOM 1089 C LEU A 67 -18.877 1.092 3.274 1.00 0.65 C ATOM 1090 O LEU A 67 -18.200 0.161 2.889 1.00 0.60 O ATOM 1091 CB LEU A 67 -18.516 2.153 5.518 1.00 0.72 C ATOM 1092 CG LEU A 67 -17.511 3.005 6.299 1.00 0.74 C ATOM 1093 CD1 LEU A 67 -17.653 4.474 5.891 1.00 0.85 C ATOM 1094 CD2 LEU A 67 -17.785 2.864 7.799 1.00 0.77 C ATOM 0 H LEU A 67 -19.531 3.967 4.143 1.00 0.73 H new ATOM 0 HA LEU A 67 -17.170 2.273 3.831 1.00 0.68 H new ATOM 0 HB2 LEU A 67 -19.532 2.478 5.741 1.00 0.72 H new ATOM 0 HB3 LEU A 67 -18.439 1.110 5.826 1.00 0.72 H new ATOM 0 HG LEU A 67 -16.499 2.666 6.077 1.00 0.74 H new ATOM 0 HD11 LEU A 67 -16.937 5.077 6.449 1.00 0.85 H new ATOM 0 HD12 LEU A 67 -17.459 4.575 4.823 1.00 0.85 H new ATOM 0 HD13 LEU A 67 -18.664 4.816 6.111 1.00 0.85 H new ATOM 0 HD21 LEU A 67 -17.071 3.469 8.358 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -18.798 3.203 8.017 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -17.681 1.819 8.091 1.00 0.77 H new ATOM 1106 N HIS A 68 -20.169 1.115 3.078 1.00 0.69 N ATOM 1107 CA HIS A 68 -20.836 -0.015 2.366 1.00 0.68 C ATOM 1108 C HIS A 68 -20.749 0.204 0.857 1.00 0.68 C ATOM 1109 O HIS A 68 -21.431 -0.444 0.087 1.00 0.72 O ATOM 1110 CB HIS A 68 -22.306 -0.090 2.786 1.00 0.75 C ATOM 1111 CG HIS A 68 -22.985 1.216 2.477 1.00 0.81 C ATOM 1112 ND1 HIS A 68 -22.863 1.841 1.246 1.00 0.87 N ATOM 1113 CD2 HIS A 68 -23.799 2.028 3.229 1.00 0.84 C ATOM 1114 CE1 HIS A 68 -23.585 2.976 1.293 1.00 0.91 C ATOM 1115 NE2 HIS A 68 -24.176 3.138 2.480 1.00 0.90 N ATOM 0 H HIS A 68 -20.790 1.866 3.379 1.00 0.69 H new ATOM 0 HA HIS A 68 -20.336 -0.948 2.625 1.00 0.68 H new ATOM 0 HB2 HIS A 68 -22.804 -0.904 2.260 1.00 0.75 H new ATOM 0 HB3 HIS A 68 -22.380 -0.307 3.852 1.00 0.75 H new ATOM 0 HD2 HIS A 68 -24.101 1.834 4.248 1.00 0.84 H new ATOM 0 HE1 HIS A 68 -23.675 3.671 0.471 1.00 0.91 H new ATOM 0 HE2 HIS A 68 -24.775 3.910 2.774 1.00 0.90 H new ATOM 1123 N SER A 69 -19.915 1.106 0.425 1.00 0.66 N ATOM 1124 CA SER A 69 -19.787 1.355 -1.036 1.00 0.67 C ATOM 1125 C SER A 69 -18.990 0.224 -1.667 1.00 0.61 C ATOM 1126 O SER A 69 -19.208 -0.164 -2.797 1.00 0.63 O ATOM 1127 CB SER A 69 -19.064 2.690 -1.268 1.00 0.69 C ATOM 1128 OG SER A 69 -19.740 3.416 -2.287 1.00 0.69 O ATOM 0 H SER A 69 -19.317 1.681 1.019 1.00 0.66 H new ATOM 0 HA SER A 69 -20.777 1.401 -1.489 1.00 0.67 H new ATOM 0 HB2 SER A 69 -19.041 3.270 -0.346 1.00 0.69 H new ATOM 0 HB3 SER A 69 -18.029 2.511 -1.558 1.00 0.69 H new ATOM 0 HG SER A 69 -19.083 3.853 -2.868 1.00 0.69 H new ATOM 1134 N PHE A 70 -18.057 -0.286 -0.931 1.00 0.56 N ATOM 1135 CA PHE A 70 -17.194 -1.390 -1.443 1.00 0.51 C ATOM 1136 C PHE A 70 -17.717 -2.736 -0.924 1.00 0.50 C ATOM 1137 O PHE A 70 -18.908 -2.926 -0.775 1.00 0.56 O ATOM 1138 CB PHE A 70 -15.736 -1.145 -0.999 1.00 0.48 C ATOM 1139 CG PHE A 70 -15.474 -1.622 0.422 1.00 0.49 C ATOM 1140 CD1 PHE A 70 -16.489 -1.603 1.393 1.00 0.52 C ATOM 1141 CD2 PHE A 70 -14.195 -2.093 0.762 1.00 0.49 C ATOM 1142 CE1 PHE A 70 -16.225 -2.054 2.691 1.00 0.55 C ATOM 1143 CE2 PHE A 70 -13.937 -2.546 2.061 1.00 0.51 C ATOM 1144 CZ PHE A 70 -14.952 -2.527 3.025 1.00 0.54 C ATOM 0 H PHE A 70 -17.846 0.015 0.021 1.00 0.56 H new ATOM 0 HA PHE A 70 -17.222 -1.414 -2.532 1.00 0.51 H new ATOM 0 HB2 PHE A 70 -15.060 -1.659 -1.682 1.00 0.48 H new ATOM 0 HB3 PHE A 70 -15.512 -0.081 -1.069 1.00 0.48 H new ATOM 0 HD1 PHE A 70 -17.474 -1.240 1.138 1.00 0.52 H new ATOM 0 HD2 PHE A 70 -13.410 -2.106 0.020 1.00 0.49 H new ATOM 0 HE1 PHE A 70 -17.006 -2.037 3.437 1.00 0.55 H new ATOM 0 HE2 PHE A 70 -12.954 -2.911 2.320 1.00 0.51 H new ATOM 0 HZ PHE A 70 -14.752 -2.878 4.027 1.00 0.54 H new ATOM 1154 N PHE A 71 -16.849 -3.668 -0.633 1.00 0.45 N ATOM 1155 CA PHE A 71 -17.330 -4.980 -0.113 1.00 0.45 C ATOM 1156 C PHE A 71 -17.888 -4.773 1.298 1.00 0.50 C ATOM 1157 O PHE A 71 -18.063 -3.658 1.743 1.00 0.51 O ATOM 1158 CB PHE A 71 -16.165 -5.977 -0.068 1.00 0.41 C ATOM 1159 CG PHE A 71 -15.890 -6.501 -1.461 1.00 0.40 C ATOM 1160 CD1 PHE A 71 -15.260 -5.681 -2.405 1.00 0.41 C ATOM 1161 CD2 PHE A 71 -16.263 -7.807 -1.807 1.00 0.43 C ATOM 1162 CE1 PHE A 71 -15.005 -6.165 -3.694 1.00 0.44 C ATOM 1163 CE2 PHE A 71 -16.007 -8.290 -3.095 1.00 0.46 C ATOM 1164 CZ PHE A 71 -15.378 -7.470 -4.039 1.00 0.46 C ATOM 0 H PHE A 71 -15.838 -3.579 -0.732 1.00 0.45 H new ATOM 0 HA PHE A 71 -18.108 -5.376 -0.766 1.00 0.45 H new ATOM 0 HB2 PHE A 71 -15.274 -5.493 0.332 1.00 0.41 H new ATOM 0 HB3 PHE A 71 -16.406 -6.803 0.601 1.00 0.41 H new ATOM 0 HD1 PHE A 71 -14.971 -4.675 -2.139 1.00 0.41 H new ATOM 0 HD2 PHE A 71 -16.748 -8.441 -1.079 1.00 0.43 H new ATOM 0 HE1 PHE A 71 -14.520 -5.532 -4.422 1.00 0.44 H new ATOM 0 HE2 PHE A 71 -16.295 -9.296 -3.361 1.00 0.46 H new ATOM 0 HZ PHE A 71 -15.180 -7.844 -5.033 1.00 0.46 H new ATOM 1174 N LEU A 72 -18.168 -5.830 2.009 1.00 0.54 N ATOM 1175 CA LEU A 72 -18.708 -5.666 3.391 1.00 0.59 C ATOM 1176 C LEU A 72 -17.546 -5.396 4.350 1.00 0.57 C ATOM 1177 O LEU A 72 -16.399 -5.354 3.952 1.00 0.59 O ATOM 1178 CB LEU A 72 -19.462 -6.943 3.822 1.00 0.64 C ATOM 1179 CG LEU A 72 -20.183 -7.583 2.604 1.00 0.66 C ATOM 1180 CD1 LEU A 72 -19.323 -8.711 2.007 1.00 0.72 C ATOM 1181 CD2 LEU A 72 -21.537 -8.165 3.041 1.00 0.71 C ATOM 0 H LEU A 72 -18.048 -6.794 1.697 1.00 0.54 H new ATOM 0 HA LEU A 72 -19.405 -4.828 3.413 1.00 0.59 H new ATOM 0 HB2 LEU A 72 -18.762 -7.658 4.255 1.00 0.64 H new ATOM 0 HB3 LEU A 72 -20.189 -6.700 4.597 1.00 0.64 H new ATOM 0 HG LEU A 72 -20.340 -6.810 1.852 1.00 0.66 H new ATOM 0 HD11 LEU A 72 -19.840 -9.151 1.154 1.00 0.72 H new ATOM 0 HD12 LEU A 72 -18.366 -8.305 1.681 1.00 0.72 H new ATOM 0 HD13 LEU A 72 -19.153 -9.478 2.763 1.00 0.72 H new ATOM 0 HD21 LEU A 72 -22.036 -8.612 2.181 1.00 0.71 H new ATOM 0 HD22 LEU A 72 -21.376 -8.927 3.803 1.00 0.71 H new ATOM 0 HD23 LEU A 72 -22.160 -7.369 3.449 1.00 0.71 H new ATOM 1193 N THR A 73 -17.829 -5.217 5.611 1.00 0.53 N ATOM 1194 CA THR A 73 -16.730 -4.956 6.581 1.00 0.52 C ATOM 1195 C THR A 73 -15.931 -6.263 6.776 1.00 0.44 C ATOM 1196 O THR A 73 -16.535 -7.301 6.960 1.00 0.43 O ATOM 1197 CB THR A 73 -17.330 -4.523 7.925 1.00 0.59 C ATOM 1198 OG1 THR A 73 -16.383 -4.755 8.958 1.00 0.59 O ATOM 1199 CG2 THR A 73 -18.605 -5.321 8.210 1.00 0.61 C ATOM 0 H THR A 73 -18.768 -5.240 6.009 1.00 0.53 H new ATOM 0 HA THR A 73 -16.077 -4.167 6.207 1.00 0.52 H new ATOM 0 HB THR A 73 -17.577 -3.462 7.884 1.00 0.59 H new ATOM 0 HG1 THR A 73 -16.763 -4.478 9.818 1.00 0.59 H new ATOM 0 HG21 THR A 73 -19.024 -5.007 9.166 1.00 0.61 H new ATOM 0 HG22 THR A 73 -19.332 -5.140 7.418 1.00 0.61 H new ATOM 0 HG23 THR A 73 -18.368 -6.384 8.249 1.00 0.61 H new ATOM 1207 N PRO A 74 -14.606 -6.214 6.736 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.803 -7.438 6.918 1.00 0.35 C ATOM 1209 C PRO A 74 -14.318 -8.247 8.114 1.00 0.35 C ATOM 1210 O PRO A 74 -14.545 -7.712 9.181 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.365 -6.921 7.137 1.00 0.37 C ATOM 1212 CG PRO A 74 -12.331 -5.461 6.618 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.800 -4.986 6.518 1.00 0.47 C ATOM 0 HA PRO A 74 -13.858 -8.117 6.067 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -12.096 -6.963 8.192 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.646 -7.539 6.600 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.764 -4.823 7.296 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.841 -5.408 5.646 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -14.023 -4.227 7.268 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -14.008 -4.543 5.544 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.511 -9.538 7.934 1.00 0.34 N ATOM 1222 CA ASP A 75 -15.022 -10.398 9.055 1.00 0.38 C ATOM 1223 C ASP A 75 -13.932 -11.382 9.491 1.00 0.36 C ATOM 1224 O ASP A 75 -13.693 -11.591 10.664 1.00 0.36 O ATOM 1225 CB ASP A 75 -16.254 -11.180 8.548 1.00 0.46 C ATOM 1226 CG ASP A 75 -17.305 -11.307 9.660 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -17.972 -10.323 9.933 1.00 0.82 O ATOM 1228 OD2 ASP A 75 -17.421 -12.386 10.217 1.00 1.34 O ATOM 0 H ASP A 75 -14.336 -10.032 7.059 1.00 0.34 H new ATOM 0 HA ASP A 75 -15.296 -9.776 9.907 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.687 -10.670 7.687 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.950 -12.171 8.212 1.00 0.46 H new ATOM 1233 N SER A 76 -13.298 -12.005 8.541 1.00 0.38 N ATOM 1234 CA SER A 76 -12.239 -13.015 8.844 1.00 0.41 C ATOM 1235 C SER A 76 -11.024 -12.790 7.948 1.00 0.39 C ATOM 1236 O SER A 76 -10.863 -11.766 7.326 1.00 0.37 O ATOM 1237 CB SER A 76 -12.791 -14.414 8.588 1.00 0.51 C ATOM 1238 OG SER A 76 -13.430 -14.443 7.319 1.00 0.54 O ATOM 0 H SER A 76 -13.470 -11.857 7.547 1.00 0.38 H new ATOM 0 HA SER A 76 -11.940 -12.913 9.887 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.984 -15.147 8.618 1.00 0.51 H new ATOM 0 HB3 SER A 76 -13.499 -14.687 9.371 1.00 0.51 H new ATOM 0 HG SER A 76 -13.784 -15.341 7.151 1.00 0.54 H new ATOM 1244 N PHE A 77 -10.151 -13.739 7.901 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.945 -13.595 7.060 1.00 0.44 C ATOM 1246 C PHE A 77 -9.325 -13.702 5.606 1.00 0.48 C ATOM 1247 O PHE A 77 -9.071 -12.828 4.828 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.979 -14.723 7.424 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.758 -14.728 6.521 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.992 -13.566 6.354 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -6.381 -15.911 5.868 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.850 -13.590 5.534 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -5.246 -15.932 5.050 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.482 -14.772 4.884 1.00 0.90 C ATOM 0 H PHE A 77 -10.220 -14.618 8.414 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.477 -12.625 7.229 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.664 -14.612 8.462 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -8.493 -15.681 7.347 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -6.279 -12.653 6.855 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.968 -16.808 5.997 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -4.258 -12.696 5.406 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.960 -16.844 4.547 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.606 -14.789 4.252 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.923 -14.767 5.243 1.00 0.51 N ATOM 1265 CA GLU A 78 -10.317 -14.953 3.821 1.00 0.56 C ATOM 1266 C GLU A 78 -10.985 -13.685 3.269 1.00 0.53 C ATOM 1267 O GLU A 78 -10.690 -13.269 2.166 1.00 0.59 O ATOM 1268 CB GLU A 78 -11.274 -16.166 3.725 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.715 -17.219 2.757 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.642 -18.435 2.729 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -12.660 -18.364 2.060 1.00 1.45 O ATOM 1272 OE2 GLU A 78 -11.318 -19.418 3.374 1.00 1.04 O ATOM 0 H GLU A 78 -10.167 -15.538 5.865 1.00 0.51 H new ATOM 0 HA GLU A 78 -9.429 -15.141 3.218 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -11.411 -16.608 4.712 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.256 -15.836 3.385 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -10.624 -16.796 1.757 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.715 -17.519 3.069 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.865 -13.055 3.998 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.497 -11.832 3.429 1.00 0.45 C ATOM 1281 C GLN A 79 -11.417 -10.783 3.199 1.00 0.40 C ATOM 1282 O GLN A 79 -11.424 -10.072 2.214 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.605 -11.278 4.333 1.00 0.49 C ATOM 1284 CG GLN A 79 -13.200 -11.310 5.789 1.00 0.49 C ATOM 1285 CD GLN A 79 -12.409 -10.059 6.142 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -12.169 -9.778 7.395 1.00 0.47 O flip ATOM 1287 NE2 GLN A 79 -12.016 -9.317 5.267 1.00 0.45 N flip ATOM 0 H GLN A 79 -12.167 -13.323 4.935 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.971 -12.096 2.483 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -13.836 -10.254 4.041 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -14.515 -11.862 4.194 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.087 -11.378 6.419 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -12.599 -12.197 5.987 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -12.204 -9.537 4.289 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -11.498 -8.473 5.509 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.476 -10.696 4.092 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.374 -9.706 3.914 1.00 0.38 C ATOM 1298 C LYS A 80 -8.564 -10.097 2.676 1.00 0.39 C ATOM 1299 O LYS A 80 -8.382 -9.318 1.761 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.439 -9.727 5.130 1.00 0.41 C ATOM 1301 CG LYS A 80 -9.108 -9.084 6.339 1.00 0.50 C ATOM 1302 CD LYS A 80 -8.099 -8.985 7.485 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.804 -8.485 8.747 1.00 0.51 C ATOM 1304 NZ LYS A 80 -7.804 -8.312 9.838 1.00 1.03 N ATOM 0 H LYS A 80 -10.419 -11.265 4.937 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.802 -8.709 3.804 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -8.164 -10.755 5.365 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.517 -9.196 4.894 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.478 -8.092 6.079 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.970 -9.675 6.649 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.647 -9.959 7.670 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -7.291 -8.305 7.214 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -9.306 -7.539 8.546 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -9.573 -9.195 9.053 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -8.276 -8.409 10.760 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -7.065 -9.038 9.750 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -7.373 -7.368 9.767 1.00 1.03 H new ATOM 1318 N VAL A 81 -8.073 -11.309 2.654 1.00 0.44 N ATOM 1319 CA VAL A 81 -7.265 -11.782 1.497 1.00 0.47 C ATOM 1320 C VAL A 81 -8.005 -11.488 0.203 1.00 0.45 C ATOM 1321 O VAL A 81 -7.410 -11.355 -0.838 1.00 0.46 O ATOM 1322 CB VAL A 81 -7.051 -13.291 1.608 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -6.134 -13.763 0.479 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -6.409 -13.620 2.954 1.00 0.56 C ATOM 0 H VAL A 81 -8.200 -11.996 3.397 1.00 0.44 H new ATOM 0 HA VAL A 81 -6.304 -11.268 1.499 1.00 0.47 H new ATOM 0 HB VAL A 81 -8.013 -13.798 1.531 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.982 -14.839 0.559 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.592 -13.532 -0.483 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -5.173 -13.254 0.554 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -6.257 -14.697 3.031 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -5.448 -13.111 3.033 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -7.063 -13.287 3.760 1.00 0.56 H new ATOM 1334 N LEU A 82 -9.301 -11.402 0.258 1.00 0.44 N ATOM 1335 CA LEU A 82 -10.083 -11.132 -0.986 1.00 0.44 C ATOM 1336 C LEU A 82 -10.131 -9.640 -1.258 1.00 0.38 C ATOM 1337 O LEU A 82 -10.056 -9.211 -2.386 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.506 -11.683 -0.832 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.214 -11.722 -2.202 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.822 -12.990 -2.974 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.733 -11.719 -1.995 1.00 0.54 C ATOM 0 H LEU A 82 -9.857 -11.506 1.107 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.597 -11.626 -1.827 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.471 -12.685 -0.404 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -12.072 -11.060 -0.140 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.910 -10.845 -2.773 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.331 -13.001 -3.938 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.744 -13.001 -3.133 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -12.113 -13.870 -2.400 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -14.232 -11.747 -2.964 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -14.023 -12.594 -1.412 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -14.026 -10.815 -1.462 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.244 -8.840 -0.251 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.273 -7.383 -0.500 1.00 0.32 C ATOM 1355 C ASN A 83 -8.941 -6.994 -1.157 1.00 0.31 C ATOM 1356 O ASN A 83 -8.868 -6.090 -1.977 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.468 -6.646 0.845 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.488 -5.513 0.687 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.180 -4.360 0.915 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.699 -5.806 0.300 1.00 0.36 N ATOM 0 H ASN A 83 -10.317 -9.125 0.726 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.096 -7.107 -1.160 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.809 -7.348 1.606 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.515 -6.242 1.188 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.392 -5.066 0.188 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -12.953 -6.775 0.110 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.882 -7.692 -0.819 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.557 -7.368 -1.438 1.00 0.37 C ATOM 1369 C VAL A 84 -6.414 -8.113 -2.750 1.00 0.39 C ATOM 1370 O VAL A 84 -5.831 -7.621 -3.677 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.391 -7.747 -0.521 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.084 -7.310 -1.190 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.547 -7.031 0.829 1.00 0.40 C ATOM 0 H VAL A 84 -7.877 -8.462 -0.150 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.525 -6.291 -1.603 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.380 -8.824 -0.352 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.242 -7.573 -0.550 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -3.981 -7.815 -2.151 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.098 -6.231 -1.346 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.717 -7.301 1.482 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.549 -5.953 0.671 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.486 -7.331 1.294 1.00 0.40 H new ATOM 1383 N SER A 85 -6.941 -9.292 -2.842 1.00 0.41 N ATOM 1384 CA SER A 85 -6.829 -10.039 -4.118 1.00 0.46 C ATOM 1385 C SER A 85 -7.542 -9.219 -5.184 1.00 0.42 C ATOM 1386 O SER A 85 -7.249 -9.280 -6.357 1.00 0.45 O ATOM 1387 CB SER A 85 -7.505 -11.403 -3.982 1.00 0.50 C ATOM 1388 OG SER A 85 -7.205 -12.190 -5.127 1.00 0.53 O ATOM 0 H SER A 85 -7.443 -9.771 -2.094 1.00 0.41 H new ATOM 0 HA SER A 85 -5.784 -10.198 -4.382 1.00 0.46 H new ATOM 0 HB2 SER A 85 -7.158 -11.906 -3.079 1.00 0.50 H new ATOM 0 HB3 SER A 85 -8.583 -11.279 -3.883 1.00 0.50 H new ATOM 0 HG SER A 85 -7.635 -13.066 -5.043 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.488 -8.449 -4.753 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.277 -7.605 -5.684 1.00 0.36 C ATOM 1396 C PHE A 86 -8.448 -6.402 -6.127 1.00 0.34 C ATOM 1397 O PHE A 86 -8.213 -6.183 -7.295 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.529 -7.133 -4.942 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.201 -5.973 -5.650 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.168 -5.867 -7.046 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -11.874 -5.004 -4.894 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -11.806 -4.796 -7.681 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.508 -3.932 -5.530 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.475 -3.828 -6.924 1.00 0.32 C ATOM 0 H PHE A 86 -8.756 -8.365 -3.772 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.554 -8.174 -6.571 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.232 -7.961 -4.853 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.260 -6.834 -3.929 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -10.650 -6.612 -7.632 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -11.903 -5.085 -3.817 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -11.782 -4.716 -8.758 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.023 -3.185 -4.945 1.00 0.32 H new ATOM 0 HZ PHE A 86 -12.966 -3.001 -7.416 1.00 0.32 H new ATOM 1414 N ALA A 87 -7.996 -5.616 -5.207 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.176 -4.442 -5.613 1.00 0.33 C ATOM 1416 C ALA A 87 -5.994 -4.970 -6.419 1.00 0.38 C ATOM 1417 O ALA A 87 -5.491 -4.334 -7.323 1.00 0.39 O ATOM 1418 CB ALA A 87 -6.675 -3.704 -4.372 1.00 0.35 C ATOM 0 H ALA A 87 -8.151 -5.726 -4.205 1.00 0.32 H new ATOM 0 HA ALA A 87 -7.766 -3.745 -6.208 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.076 -2.846 -4.676 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.526 -3.362 -3.784 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.065 -4.377 -3.770 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.585 -6.161 -6.099 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.469 -6.813 -6.807 1.00 0.48 C ATOM 1426 C PHE A 88 -4.971 -7.232 -8.170 1.00 0.48 C ATOM 1427 O PHE A 88 -4.210 -7.466 -9.075 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.054 -8.047 -6.008 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.155 -8.951 -6.825 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.704 -9.764 -7.826 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -1.779 -8.988 -6.573 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -2.880 -10.611 -8.573 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -0.954 -9.834 -7.322 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.505 -10.647 -8.322 1.00 0.74 C ATOM 0 H PHE A 88 -5.995 -6.722 -5.352 1.00 0.41 H new ATOM 0 HA PHE A 88 -3.616 -6.143 -6.913 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.536 -7.738 -5.100 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -4.942 -8.598 -5.697 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -4.766 -9.736 -8.021 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.354 -8.364 -5.801 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -3.305 -11.237 -9.343 1.00 0.69 H new ATOM 0 HE2 PHE A 88 0.108 -9.861 -7.129 1.00 0.73 H new ATOM 0 HZ PHE A 88 -0.868 -11.301 -8.899 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.256 -7.373 -8.311 1.00 0.44 N ATOM 1445 CA GLU A 89 -6.803 -7.812 -9.625 1.00 0.46 C ATOM 1446 C GLU A 89 -6.857 -6.603 -10.560 1.00 0.43 C ATOM 1447 O GLU A 89 -6.422 -6.662 -11.698 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.206 -8.419 -9.411 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.085 -9.927 -9.172 1.00 0.51 C ATOM 1450 CD GLU A 89 -7.905 -10.652 -10.509 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -8.843 -10.657 -11.288 1.00 0.63 O ATOM 1452 OE2 GLU A 89 -6.832 -11.189 -10.729 1.00 0.60 O ATOM 0 H GLU A 89 -6.948 -7.205 -7.581 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.168 -8.574 -10.076 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -8.692 -7.944 -8.559 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -8.832 -8.228 -10.283 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.237 -10.134 -8.519 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -8.976 -10.297 -8.665 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.348 -5.495 -10.086 1.00 0.38 N ATOM 1460 CA LEU A 90 -7.389 -4.291 -10.951 1.00 0.37 C ATOM 1461 C LEU A 90 -5.963 -3.791 -11.132 1.00 0.41 C ATOM 1462 O LEU A 90 -5.668 -3.034 -12.035 1.00 0.42 O ATOM 1463 CB LEU A 90 -8.239 -3.197 -10.296 1.00 0.34 C ATOM 1464 CG LEU A 90 -9.733 -3.513 -10.457 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -10.539 -2.549 -9.580 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.169 -3.359 -11.932 1.00 0.36 C ATOM 0 H LEU A 90 -7.720 -5.373 -9.144 1.00 0.38 H new ATOM 0 HA LEU A 90 -7.832 -4.540 -11.915 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -7.989 -3.118 -9.238 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.014 -2.232 -10.750 1.00 0.34 H new ATOM 0 HG LEU A 90 -9.915 -4.543 -10.152 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -11.602 -2.764 -9.686 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -10.246 -2.674 -8.538 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -10.343 -1.523 -9.892 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.231 -3.588 -12.023 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -9.989 -2.335 -12.260 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -9.595 -4.046 -12.555 1.00 0.36 H new ATOM 1478 N MET A 91 -5.064 -4.224 -10.288 1.00 0.43 N ATOM 1479 CA MET A 91 -3.647 -3.773 -10.433 1.00 0.49 C ATOM 1480 C MET A 91 -2.955 -4.693 -11.425 1.00 0.54 C ATOM 1481 O MET A 91 -2.296 -4.252 -12.347 1.00 0.58 O ATOM 1482 CB MET A 91 -2.936 -3.832 -9.083 1.00 0.52 C ATOM 1483 CG MET A 91 -3.385 -2.659 -8.204 1.00 0.48 C ATOM 1484 SD MET A 91 -2.460 -1.171 -8.677 1.00 0.55 S ATOM 1485 CE MET A 91 -3.872 -0.068 -8.947 1.00 0.60 C ATOM 0 H MET A 91 -5.245 -4.862 -9.513 1.00 0.43 H new ATOM 0 HA MET A 91 -3.617 -2.744 -10.790 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.159 -4.776 -8.586 1.00 0.52 H new ATOM 0 HB3 MET A 91 -1.856 -3.796 -9.229 1.00 0.52 H new ATOM 0 HG2 MET A 91 -4.455 -2.489 -8.322 1.00 0.48 H new ATOM 0 HG3 MET A 91 -3.213 -2.890 -7.153 1.00 0.48 H new ATOM 0 HE1 MET A 91 -3.513 0.915 -9.250 1.00 0.60 H new ATOM 0 HE2 MET A 91 -4.510 -0.478 -9.730 1.00 0.60 H new ATOM 0 HE3 MET A 91 -4.444 0.023 -8.024 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.123 -5.972 -11.260 1.00 0.56 N ATOM 1496 CA GLN A 92 -2.503 -6.930 -12.208 1.00 0.62 C ATOM 1497 C GLN A 92 -2.923 -6.524 -13.614 1.00 0.61 C ATOM 1498 O GLN A 92 -2.213 -6.737 -14.576 1.00 0.69 O ATOM 1499 CB GLN A 92 -2.993 -8.348 -11.907 1.00 0.64 C ATOM 1500 CG GLN A 92 -2.257 -9.344 -12.805 1.00 0.66 C ATOM 1501 CD GLN A 92 -2.622 -10.770 -12.391 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -1.856 -11.435 -11.722 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -3.768 -11.271 -12.761 1.00 0.67 N ATOM 0 H GLN A 92 -3.665 -6.396 -10.507 1.00 0.56 H new ATOM 0 HA GLN A 92 -1.417 -6.915 -12.114 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -2.818 -8.590 -10.859 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.068 -8.416 -12.075 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -2.525 -9.177 -13.848 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -1.180 -9.195 -12.725 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -4.411 -10.713 -13.323 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -4.021 -12.221 -12.489 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.074 -5.910 -13.734 1.00 0.54 N ATOM 1513 CA ASP A 93 -4.535 -5.457 -15.073 1.00 0.54 C ATOM 1514 C ASP A 93 -3.892 -4.105 -15.354 1.00 0.55 C ATOM 1515 O ASP A 93 -3.232 -3.905 -16.354 1.00 0.62 O ATOM 1516 CB ASP A 93 -6.070 -5.325 -15.061 1.00 0.50 C ATOM 1517 CG ASP A 93 -6.647 -5.686 -16.435 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -6.562 -6.845 -16.806 1.00 0.80 O ATOM 1519 OD2 ASP A 93 -7.164 -4.796 -17.091 1.00 0.75 O ATOM 0 H ASP A 93 -4.709 -5.705 -12.963 1.00 0.54 H new ATOM 0 HA ASP A 93 -4.253 -6.171 -15.846 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -6.492 -5.980 -14.299 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -6.352 -4.306 -14.797 1.00 0.50 H new ATOM 1524 N GLY A 94 -4.076 -3.183 -14.459 1.00 0.54 N ATOM 1525 CA GLY A 94 -3.472 -1.839 -14.641 1.00 0.61 C ATOM 1526 C GLY A 94 -1.954 -1.981 -14.774 1.00 0.73 C ATOM 1527 O GLY A 94 -1.252 -1.011 -14.978 1.00 0.82 O ATOM 0 H GLY A 94 -4.621 -3.302 -13.605 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -3.883 -1.360 -15.530 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -3.716 -1.200 -13.792 1.00 0.61 H new ATOM 1531 N GLY A 95 -1.440 -3.190 -14.668 1.00 0.80 N ATOM 1532 CA GLY A 95 0.043 -3.404 -14.798 1.00 0.94 C ATOM 1533 C GLY A 95 0.577 -4.189 -13.593 1.00 0.92 C ATOM 1534 O GLY A 95 0.437 -5.392 -13.519 1.00 0.91 O ATOM 0 H GLY A 95 -1.983 -4.036 -14.497 1.00 0.80 H new ATOM 0 HA2 GLY A 95 0.259 -3.946 -15.718 1.00 0.94 H new ATOM 0 HA3 GLY A 95 0.551 -2.442 -14.868 1.00 0.94 H new ATOM 1538 N LEU A 96 1.197 -3.510 -12.656 1.00 0.92 N ATOM 1539 CA LEU A 96 1.758 -4.189 -11.445 1.00 0.91 C ATOM 1540 C LEU A 96 2.922 -5.108 -11.831 1.00 0.94 C ATOM 1541 O LEU A 96 3.819 -5.350 -11.048 1.00 0.95 O ATOM 1542 CB LEU A 96 0.660 -5.003 -10.758 1.00 0.89 C ATOM 1543 CG LEU A 96 1.051 -5.303 -9.300 1.00 0.87 C ATOM 1544 CD1 LEU A 96 1.072 -4.009 -8.458 1.00 0.93 C ATOM 1545 CD2 LEU A 96 0.040 -6.297 -8.711 1.00 0.86 C ATOM 0 H LEU A 96 1.340 -2.500 -12.680 1.00 0.92 H new ATOM 0 HA LEU A 96 2.131 -3.428 -10.759 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.280 -4.452 -10.784 1.00 0.89 H new ATOM 0 HB3 LEU A 96 0.498 -5.936 -11.298 1.00 0.89 H new ATOM 0 HG LEU A 96 2.053 -5.733 -9.280 1.00 0.87 H new ATOM 0 HD11 LEU A 96 1.351 -4.247 -7.432 1.00 0.93 H new ATOM 0 HD12 LEU A 96 1.797 -3.313 -8.879 1.00 0.93 H new ATOM 0 HD13 LEU A 96 0.082 -3.552 -8.468 1.00 0.93 H new ATOM 0 HD21 LEU A 96 0.307 -6.518 -7.677 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -0.959 -5.862 -8.743 1.00 0.86 H new ATOM 0 HD23 LEU A 96 0.054 -7.218 -9.294 1.00 0.86 H new ATOM 1557 N GLU A 97 2.911 -5.617 -13.025 1.00 0.96 N ATOM 1558 CA GLU A 97 4.010 -6.521 -13.475 1.00 1.00 C ATOM 1559 C GLU A 97 4.135 -7.716 -12.524 1.00 0.99 C ATOM 1560 O GLU A 97 3.655 -7.687 -11.409 1.00 0.99 O ATOM 1561 CB GLU A 97 5.330 -5.749 -13.504 1.00 1.05 C ATOM 1562 CG GLU A 97 5.131 -4.428 -14.248 1.00 1.13 C ATOM 1563 CD GLU A 97 6.494 -3.820 -14.582 1.00 1.25 C ATOM 1564 OE1 GLU A 97 7.397 -3.959 -13.774 1.00 1.37 O ATOM 1565 OE2 GLU A 97 6.613 -3.227 -15.642 1.00 1.27 O ATOM 0 H GLU A 97 2.183 -5.447 -13.719 1.00 0.96 H new ATOM 0 HA GLU A 97 3.779 -6.887 -14.475 1.00 1.00 H new ATOM 0 HB2 GLU A 97 5.674 -5.558 -12.488 1.00 1.05 H new ATOM 0 HB3 GLU A 97 6.101 -6.343 -13.995 1.00 1.05 H new ATOM 0 HG2 GLU A 97 4.562 -4.596 -15.162 1.00 1.13 H new ATOM 0 HG3 GLU A 97 4.553 -3.737 -13.635 1.00 1.13 H new ATOM 1572 N LYS A 98 4.779 -8.763 -12.979 1.00 1.02 N ATOM 1573 CA LYS A 98 4.966 -9.999 -12.152 1.00 1.01 C ATOM 1574 C LYS A 98 5.155 -9.647 -10.653 1.00 1.00 C ATOM 1575 O LYS A 98 6.242 -9.273 -10.262 1.00 1.04 O ATOM 1576 CB LYS A 98 6.224 -10.727 -12.658 1.00 1.08 C ATOM 1577 CG LYS A 98 7.283 -9.698 -13.064 1.00 1.09 C ATOM 1578 CD LYS A 98 8.619 -10.405 -13.296 1.00 1.13 C ATOM 1579 CE LYS A 98 9.655 -9.390 -13.785 1.00 1.16 C ATOM 1580 NZ LYS A 98 9.953 -8.421 -12.693 1.00 1.18 N ATOM 0 H LYS A 98 5.193 -8.815 -13.910 1.00 1.02 H new ATOM 0 HA LYS A 98 4.081 -10.628 -12.245 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.617 -11.380 -11.879 1.00 1.08 H new ATOM 0 HB3 LYS A 98 5.973 -11.361 -13.509 1.00 1.08 H new ATOM 0 HG2 LYS A 98 6.972 -9.179 -13.971 1.00 1.09 H new ATOM 0 HG3 LYS A 98 7.389 -8.943 -12.285 1.00 1.09 H new ATOM 0 HD2 LYS A 98 8.960 -10.873 -12.373 1.00 1.13 H new ATOM 0 HD3 LYS A 98 8.499 -11.201 -14.031 1.00 1.13 H new ATOM 0 HE2 LYS A 98 10.567 -9.903 -14.090 1.00 1.16 H new ATOM 0 HE3 LYS A 98 9.278 -8.863 -14.661 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 10.831 -7.909 -12.913 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 9.169 -7.743 -12.607 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 10.067 -8.934 -11.795 1.00 1.18 H new ATOM 1594 N PRO A 99 4.114 -9.782 -9.841 1.00 0.93 N ATOM 1595 CA PRO A 99 4.228 -9.476 -8.400 1.00 0.91 C ATOM 1596 C PRO A 99 5.111 -10.533 -7.725 1.00 0.98 C ATOM 1597 O PRO A 99 5.365 -11.581 -8.285 1.00 1.02 O ATOM 1598 CB PRO A 99 2.783 -9.533 -7.858 1.00 0.84 C ATOM 1599 CG PRO A 99 1.875 -10.039 -9.017 1.00 0.82 C ATOM 1600 CD PRO A 99 2.767 -10.229 -10.264 1.00 0.88 C ATOM 0 HA PRO A 99 4.683 -8.504 -8.208 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.720 -10.202 -7.000 1.00 0.84 H new ATOM 0 HB3 PRO A 99 2.461 -8.549 -7.519 1.00 0.84 H new ATOM 0 HG2 PRO A 99 1.394 -10.978 -8.744 1.00 0.82 H new ATOM 0 HG3 PRO A 99 1.080 -9.322 -9.221 1.00 0.82 H new ATOM 0 HD2 PRO A 99 2.779 -11.270 -10.586 1.00 0.88 H new ATOM 0 HD3 PRO A 99 2.401 -9.640 -11.105 1.00 0.88 H new ATOM 1608 N LYS A 100 5.582 -10.259 -6.529 1.00 0.98 N ATOM 1609 CA LYS A 100 6.461 -11.245 -5.809 1.00 1.05 C ATOM 1610 C LYS A 100 5.715 -11.857 -4.593 1.00 1.02 C ATOM 1611 O LYS A 100 5.685 -13.066 -4.472 1.00 1.04 O ATOM 1612 CB LYS A 100 7.787 -10.539 -5.389 1.00 1.11 C ATOM 1613 CG LYS A 100 8.991 -11.122 -6.166 1.00 1.18 C ATOM 1614 CD LYS A 100 10.163 -10.127 -6.174 1.00 1.25 C ATOM 1615 CE LYS A 100 10.644 -9.835 -4.743 1.00 1.22 C ATOM 1616 NZ LYS A 100 10.450 -11.034 -3.879 1.00 1.30 N ATOM 0 H LYS A 100 5.397 -9.395 -6.019 1.00 0.98 H new ATOM 0 HA LYS A 100 6.710 -12.072 -6.474 1.00 1.05 H new ATOM 0 HB2 LYS A 100 7.710 -9.468 -5.579 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.946 -10.662 -4.318 1.00 1.11 H new ATOM 0 HG2 LYS A 100 9.306 -12.060 -5.709 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.694 -11.351 -7.190 1.00 1.18 H new ATOM 0 HD2 LYS A 100 10.986 -10.533 -6.763 1.00 1.25 H new ATOM 0 HD3 LYS A 100 9.854 -9.199 -6.655 1.00 1.25 H new ATOM 0 HE2 LYS A 100 11.697 -9.554 -4.756 1.00 1.22 H new ATOM 0 HE3 LYS A 100 10.093 -8.989 -4.332 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 10.914 -10.879 -2.961 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 9.433 -11.194 -3.730 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 10.867 -11.867 -4.342 1.00 1.30 H new ATOM 1630 N PRO A 101 5.130 -11.047 -3.725 1.00 0.97 N ATOM 1631 CA PRO A 101 4.402 -11.577 -2.555 1.00 0.95 C ATOM 1632 C PRO A 101 2.972 -11.957 -2.987 1.00 0.89 C ATOM 1633 O PRO A 101 2.668 -11.966 -4.164 1.00 0.89 O ATOM 1634 CB PRO A 101 4.417 -10.401 -1.571 1.00 0.92 C ATOM 1635 CG PRO A 101 4.610 -9.125 -2.407 1.00 0.92 C ATOM 1636 CD PRO A 101 5.135 -9.569 -3.799 1.00 0.95 C ATOM 0 HA PRO A 101 4.836 -12.475 -2.115 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.485 -10.357 -1.007 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.223 -10.514 -0.846 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.670 -8.582 -2.505 1.00 0.92 H new ATOM 0 HG3 PRO A 101 5.318 -8.451 -1.925 1.00 0.92 H new ATOM 0 HD2 PRO A 101 4.493 -9.207 -4.602 1.00 0.95 H new ATOM 0 HD3 PRO A 101 6.136 -9.182 -3.991 1.00 0.95 H new ATOM 1644 N ARG A 102 2.101 -12.293 -2.059 1.00 0.84 N ATOM 1645 CA ARG A 102 0.701 -12.698 -2.427 1.00 0.79 C ATOM 1646 C ARG A 102 -0.318 -11.911 -1.567 1.00 0.71 C ATOM 1647 O ARG A 102 -0.008 -11.568 -0.447 1.00 0.71 O ATOM 1648 CB ARG A 102 0.563 -14.198 -2.142 1.00 0.83 C ATOM 1649 CG ARG A 102 1.813 -14.909 -2.654 1.00 0.92 C ATOM 1650 CD ARG A 102 1.589 -16.422 -2.642 1.00 0.96 C ATOM 1651 NE ARG A 102 1.047 -16.838 -1.317 1.00 1.05 N ATOM 1652 CZ ARG A 102 0.508 -18.019 -1.176 1.00 1.11 C ATOM 1653 NH1 ARG A 102 0.444 -18.833 -2.194 1.00 1.09 N ATOM 1654 NH2 ARG A 102 0.033 -18.385 -0.017 1.00 1.18 N ATOM 0 H ARG A 102 2.301 -12.304 -1.059 1.00 0.84 H new ATOM 0 HA ARG A 102 0.506 -12.484 -3.478 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.441 -14.370 -1.073 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.326 -14.596 -2.632 1.00 0.83 H new ATOM 0 HG2 ARG A 102 2.045 -14.574 -3.665 1.00 0.92 H new ATOM 0 HG3 ARG A 102 2.669 -14.654 -2.030 1.00 0.92 H new ATOM 0 HD2 ARG A 102 0.895 -16.703 -3.434 1.00 0.96 H new ATOM 0 HD3 ARG A 102 2.527 -16.940 -2.841 1.00 0.96 H new ATOM 0 HE ARG A 102 1.097 -16.201 -0.522 1.00 1.05 H new ATOM 0 HH11 ARG A 102 0.815 -18.547 -3.100 1.00 1.09 H new ATOM 0 HH12 ARG A 102 0.023 -19.755 -2.084 1.00 1.09 H new ATOM 0 HH21 ARG A 102 0.083 -17.749 0.779 1.00 1.18 H new ATOM 0 HH22 ARG A 102 -0.388 -19.307 0.093 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.514 -11.661 -2.099 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.574 -10.928 -1.365 1.00 0.59 C ATOM 1670 C PRO A 103 -2.580 -11.310 0.116 1.00 0.59 C ATOM 1671 O PRO A 103 -2.966 -10.532 0.965 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.869 -11.345 -2.081 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.448 -11.840 -3.491 1.00 0.61 C ATOM 1674 CD PRO A 103 -1.923 -12.091 -3.451 1.00 0.67 C ATOM 0 HA PRO A 103 -2.434 -9.847 -1.373 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.382 -12.133 -1.529 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.560 -10.506 -2.154 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -3.982 -12.754 -3.753 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.696 -11.097 -4.249 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.689 -13.142 -3.621 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.406 -11.520 -4.223 1.00 0.67 H new ATOM 1682 N GLU A 104 -2.135 -12.488 0.437 1.00 0.64 N ATOM 1683 CA GLU A 104 -2.095 -12.896 1.866 1.00 0.65 C ATOM 1684 C GLU A 104 -0.936 -12.163 2.528 1.00 0.67 C ATOM 1685 O GLU A 104 -1.107 -11.405 3.460 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.862 -14.406 1.961 1.00 0.71 C ATOM 1687 CG GLU A 104 -3.107 -15.154 1.482 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.992 -16.632 1.860 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -3.113 -16.933 3.036 1.00 0.81 O ATOM 1690 OE2 GLU A 104 -2.782 -17.437 0.968 1.00 0.82 O ATOM 0 H GLU A 104 -1.797 -13.186 -0.226 1.00 0.64 H new ATOM 0 HA GLU A 104 -3.036 -12.651 2.359 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -1.001 -14.689 1.355 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.633 -14.684 2.990 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -4.000 -14.721 1.933 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -3.213 -15.051 0.402 1.00 0.71 H new ATOM 1697 N ASP A 105 0.240 -12.385 2.022 1.00 0.73 N ATOM 1698 CA ASP A 105 1.460 -11.731 2.559 1.00 0.78 C ATOM 1699 C ASP A 105 1.177 -10.255 2.850 1.00 0.73 C ATOM 1700 O ASP A 105 1.828 -9.639 3.662 1.00 0.77 O ATOM 1701 CB ASP A 105 2.568 -11.838 1.501 1.00 0.83 C ATOM 1702 CG ASP A 105 2.517 -13.213 0.832 1.00 0.88 C ATOM 1703 OD1 ASP A 105 1.792 -14.067 1.317 1.00 0.86 O ATOM 1704 OD2 ASP A 105 3.214 -13.390 -0.151 1.00 0.94 O ATOM 0 H ASP A 105 0.411 -13.011 1.235 1.00 0.73 H new ATOM 0 HA ASP A 105 1.766 -12.219 3.484 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.445 -11.055 0.753 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.542 -11.686 1.965 1.00 0.83 H new ATOM 1709 N ILE A 106 0.209 -9.685 2.193 1.00 0.67 N ATOM 1710 CA ILE A 106 -0.113 -8.245 2.438 1.00 0.64 C ATOM 1711 C ILE A 106 -1.023 -8.176 3.672 1.00 0.59 C ATOM 1712 O ILE A 106 -0.621 -7.737 4.732 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.839 -7.659 1.202 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.394 -8.383 -0.078 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.528 -6.171 1.046 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.124 -8.258 -0.269 1.00 0.72 C ATOM 0 H ILE A 106 -0.375 -10.149 1.497 1.00 0.67 H new ATOM 0 HA ILE A 106 0.795 -7.666 2.607 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.909 -7.797 1.354 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.674 -9.435 -0.023 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -0.911 -7.960 -0.940 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -1.048 -5.780 0.172 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.860 -5.635 1.935 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.546 -6.035 0.920 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.420 -8.777 -1.181 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.396 -7.205 -0.346 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.636 -8.703 0.584 1.00 0.72 H new ATOM 1728 N VAL A 107 -2.237 -8.651 3.540 1.00 0.54 N ATOM 1729 CA VAL A 107 -3.188 -8.674 4.698 1.00 0.51 C ATOM 1730 C VAL A 107 -2.435 -9.180 5.932 1.00 0.53 C ATOM 1731 O VAL A 107 -2.783 -8.889 7.059 1.00 0.50 O ATOM 1732 CB VAL A 107 -4.287 -9.696 4.356 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -5.102 -10.106 5.595 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -5.216 -9.110 3.302 1.00 0.46 C ATOM 0 H VAL A 107 -2.615 -9.028 2.671 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.604 -7.685 4.889 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.799 -10.592 3.972 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.866 -10.828 5.306 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -4.439 -10.556 6.334 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.580 -9.225 6.024 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.994 -9.834 3.060 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.675 -8.199 3.687 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.645 -8.877 2.403 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.426 -9.974 5.707 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.648 -10.565 6.832 1.00 0.63 C ATOM 1746 C ASN A 108 -0.063 -9.461 7.729 1.00 0.63 C ATOM 1747 O ASN A 108 0.767 -9.723 8.577 1.00 0.66 O ATOM 1748 CB ASN A 108 0.497 -11.417 6.242 1.00 0.69 C ATOM 1749 CG ASN A 108 0.898 -12.514 7.235 1.00 1.07 C ATOM 1750 OD1 ASN A 108 2.027 -12.563 7.681 1.00 1.33 O ATOM 1751 ND2 ASN A 108 0.013 -13.400 7.601 1.00 1.35 N ATOM 0 H ASN A 108 -1.103 -10.243 4.778 1.00 0.59 H new ATOM 0 HA ASN A 108 -1.307 -11.184 7.441 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.180 -11.865 5.300 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.356 -10.784 6.020 1.00 0.69 H new ATOM 0 HD21 ASN A 108 0.269 -14.134 8.262 1.00 1.35 H new ATOM 0 HD22 ASN A 108 -0.935 -13.359 7.227 1.00 1.35 H new ATOM 1758 N CYS A 109 -0.500 -8.237 7.571 1.00 0.61 N ATOM 1759 CA CYS A 109 0.020 -7.141 8.432 1.00 0.63 C ATOM 1760 C CYS A 109 1.551 -7.190 8.466 1.00 0.70 C ATOM 1761 O CYS A 109 2.182 -6.488 9.231 1.00 0.85 O ATOM 1762 CB CYS A 109 -0.551 -7.326 9.839 1.00 0.62 C ATOM 1763 SG CYS A 109 -2.157 -6.498 9.953 1.00 0.66 S ATOM 0 H CYS A 109 -1.195 -7.953 6.881 1.00 0.61 H new ATOM 0 HA CYS A 109 -0.281 -6.171 8.036 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.661 -8.387 10.062 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.136 -6.914 10.579 1.00 0.62 H new ATOM 0 HG CYS A 109 -2.643 -6.657 11.148 1.00 0.66 H new ATOM 1769 N ASP A 110 2.159 -8.001 7.640 1.00 0.72 N ATOM 1770 CA ASP A 110 3.637 -8.068 7.633 1.00 0.79 C ATOM 1771 C ASP A 110 4.156 -6.884 6.836 1.00 0.81 C ATOM 1772 O ASP A 110 3.436 -6.266 6.079 1.00 0.80 O ATOM 1773 CB ASP A 110 4.111 -9.378 6.991 1.00 0.84 C ATOM 1774 CG ASP A 110 3.610 -9.475 5.549 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.365 -8.441 4.951 1.00 0.98 O ATOM 1776 OD2 ASP A 110 3.485 -10.587 5.063 1.00 0.88 O ATOM 0 H ASP A 110 1.691 -8.616 6.974 1.00 0.72 H new ATOM 0 HA ASP A 110 4.016 -8.036 8.655 1.00 0.79 H new ATOM 0 HB2 ASP A 110 5.200 -9.426 7.009 1.00 0.84 H new ATOM 0 HB3 ASP A 110 3.745 -10.227 7.568 1.00 0.84 H new ATOM 1781 N LEU A 111 5.396 -6.568 6.996 1.00 0.89 N ATOM 1782 CA LEU A 111 5.990 -5.434 6.257 1.00 0.93 C ATOM 1783 C LEU A 111 6.699 -5.983 5.028 1.00 0.97 C ATOM 1784 O LEU A 111 6.477 -5.562 3.937 1.00 0.96 O ATOM 1785 CB LEU A 111 7.002 -4.733 7.172 1.00 1.02 C ATOM 1786 CG LEU A 111 6.269 -3.804 8.166 1.00 1.06 C ATOM 1787 CD1 LEU A 111 7.111 -3.629 9.434 1.00 1.09 C ATOM 1788 CD2 LEU A 111 6.041 -2.427 7.529 1.00 1.12 C ATOM 0 H LEU A 111 6.039 -7.056 7.620 1.00 0.89 H new ATOM 0 HA LEU A 111 5.223 -4.723 5.951 1.00 0.93 H new ATOM 0 HB2 LEU A 111 7.584 -5.475 7.718 1.00 1.02 H new ATOM 0 HB3 LEU A 111 7.705 -4.154 6.573 1.00 1.02 H new ATOM 0 HG LEU A 111 5.309 -4.254 8.419 1.00 1.06 H new ATOM 0 HD11 LEU A 111 6.588 -2.973 10.130 1.00 1.09 H new ATOM 0 HD12 LEU A 111 7.271 -4.601 9.901 1.00 1.09 H new ATOM 0 HD13 LEU A 111 8.074 -3.189 9.174 1.00 1.09 H new ATOM 0 HD21 LEU A 111 5.524 -1.780 8.237 1.00 1.12 H new ATOM 0 HD22 LEU A 111 7.002 -1.984 7.267 1.00 1.12 H new ATOM 0 HD23 LEU A 111 5.435 -2.538 6.630 1.00 1.12 H new ATOM 1800 N LYS A 112 7.556 -6.924 5.231 1.00 1.00 N ATOM 1801 CA LYS A 112 8.346 -7.532 4.121 1.00 1.04 C ATOM 1802 C LYS A 112 7.633 -7.513 2.764 1.00 1.02 C ATOM 1803 O LYS A 112 7.942 -6.732 1.872 1.00 1.04 O ATOM 1804 CB LYS A 112 8.566 -8.987 4.525 1.00 1.06 C ATOM 1805 CG LYS A 112 9.331 -9.733 3.432 1.00 1.12 C ATOM 1806 CD LYS A 112 9.956 -11.024 4.009 1.00 1.15 C ATOM 1807 CE LYS A 112 10.057 -12.103 2.918 1.00 1.20 C ATOM 1808 NZ LYS A 112 8.773 -12.854 2.847 1.00 1.17 N ATOM 0 H LYS A 112 7.756 -7.318 6.150 1.00 1.00 H new ATOM 0 HA LYS A 112 9.262 -6.957 3.988 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.122 -9.031 5.462 1.00 1.06 H new ATOM 0 HB3 LYS A 112 7.606 -9.472 4.701 1.00 1.06 H new ATOM 0 HG2 LYS A 112 8.659 -9.981 2.611 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.112 -9.093 3.022 1.00 1.12 H new ATOM 0 HD2 LYS A 112 10.947 -10.809 4.410 1.00 1.15 H new ATOM 0 HD3 LYS A 112 9.350 -11.391 4.837 1.00 1.15 H new ATOM 0 HE2 LYS A 112 10.276 -11.643 1.955 1.00 1.20 H new ATOM 0 HE3 LYS A 112 10.878 -12.785 3.140 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 8.838 -13.585 2.110 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 8.583 -13.304 3.765 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 7.999 -12.198 2.617 1.00 1.17 H new ATOM 1822 N SER A 113 6.714 -8.386 2.601 1.00 0.98 N ATOM 1823 CA SER A 113 5.985 -8.496 1.318 1.00 0.96 C ATOM 1824 C SER A 113 5.250 -7.192 0.976 1.00 0.92 C ATOM 1825 O SER A 113 5.441 -6.588 -0.068 1.00 0.94 O ATOM 1826 CB SER A 113 4.969 -9.607 1.527 1.00 0.92 C ATOM 1827 OG SER A 113 4.583 -9.625 2.895 1.00 0.90 O ATOM 0 H SER A 113 6.421 -9.052 3.316 1.00 0.98 H new ATOM 0 HA SER A 113 6.673 -8.698 0.497 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.098 -9.446 0.891 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.397 -10.568 1.243 1.00 0.92 H new ATOM 0 HG SER A 113 3.614 -9.497 2.963 1.00 0.90 H new ATOM 1833 N THR A 114 4.394 -6.793 1.853 1.00 0.88 N ATOM 1834 CA THR A 114 3.586 -5.560 1.646 1.00 0.85 C ATOM 1835 C THR A 114 4.495 -4.430 1.132 1.00 0.89 C ATOM 1836 O THR A 114 4.102 -3.640 0.307 1.00 0.89 O ATOM 1837 CB THR A 114 2.898 -5.198 2.990 1.00 0.81 C ATOM 1838 OG1 THR A 114 1.536 -5.572 2.934 1.00 0.76 O ATOM 1839 CG2 THR A 114 2.962 -3.698 3.272 1.00 0.84 C ATOM 0 H THR A 114 4.209 -7.277 2.732 1.00 0.88 H new ATOM 0 HA THR A 114 2.812 -5.716 0.894 1.00 0.85 H new ATOM 0 HB THR A 114 3.424 -5.730 3.782 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.100 -5.346 3.782 1.00 0.76 H new ATOM 0 HG21 THR A 114 2.470 -3.485 4.221 1.00 0.84 H new ATOM 0 HG22 THR A 114 4.004 -3.382 3.324 1.00 0.84 H new ATOM 0 HG23 THR A 114 2.458 -3.156 2.472 1.00 0.84 H new ATOM 1847 N LEU A 115 5.700 -4.359 1.611 1.00 0.95 N ATOM 1848 CA LEU A 115 6.634 -3.298 1.155 1.00 1.00 C ATOM 1849 C LEU A 115 6.899 -3.519 -0.329 1.00 1.02 C ATOM 1850 O LEU A 115 6.887 -2.598 -1.114 1.00 1.02 O ATOM 1851 CB LEU A 115 7.966 -3.400 1.947 1.00 1.06 C ATOM 1852 CG LEU A 115 8.038 -2.374 3.100 1.00 1.04 C ATOM 1853 CD1 LEU A 115 8.404 -0.988 2.551 1.00 1.09 C ATOM 1854 CD2 LEU A 115 6.702 -2.306 3.865 1.00 1.06 C ATOM 0 H LEU A 115 6.083 -4.998 2.307 1.00 0.95 H new ATOM 0 HA LEU A 115 6.204 -2.311 1.323 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.070 -4.407 2.351 1.00 1.06 H new ATOM 0 HB3 LEU A 115 8.804 -3.241 1.268 1.00 1.06 H new ATOM 0 HG LEU A 115 8.812 -2.698 3.796 1.00 1.04 H new ATOM 0 HD11 LEU A 115 8.452 -0.273 3.372 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.374 -1.037 2.055 1.00 1.09 H new ATOM 0 HD13 LEU A 115 7.647 -0.669 1.835 1.00 1.09 H new ATOM 0 HD21 LEU A 115 6.781 -1.576 4.671 1.00 1.06 H new ATOM 0 HD22 LEU A 115 5.906 -2.008 3.182 1.00 1.06 H new ATOM 0 HD23 LEU A 115 6.472 -3.286 4.284 1.00 1.06 H new ATOM 1866 N ARG A 116 7.151 -4.737 -0.718 1.00 1.03 N ATOM 1867 CA ARG A 116 7.433 -4.998 -2.161 1.00 1.05 C ATOM 1868 C ARG A 116 6.304 -4.429 -3.053 1.00 1.01 C ATOM 1869 O ARG A 116 6.553 -3.702 -3.998 1.00 1.04 O ATOM 1870 CB ARG A 116 7.554 -6.526 -2.357 1.00 1.04 C ATOM 1871 CG ARG A 116 8.949 -6.918 -2.874 1.00 1.10 C ATOM 1872 CD ARG A 116 9.039 -6.636 -4.376 1.00 1.10 C ATOM 1873 NE ARG A 116 10.466 -6.660 -4.803 1.00 1.16 N ATOM 1874 CZ ARG A 116 10.766 -6.736 -6.072 1.00 1.17 C ATOM 1875 NH1 ARG A 116 9.816 -6.800 -6.964 1.00 1.13 N ATOM 1876 NH2 ARG A 116 12.016 -6.750 -6.448 1.00 1.23 N ATOM 0 H ARG A 116 7.175 -5.556 -0.110 1.00 1.03 H new ATOM 0 HA ARG A 116 8.361 -4.505 -2.451 1.00 1.05 H new ATOM 0 HB2 ARG A 116 7.360 -7.032 -1.411 1.00 1.04 H new ATOM 0 HB3 ARG A 116 6.795 -6.865 -3.062 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.716 -6.356 -2.342 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.136 -7.974 -2.680 1.00 1.10 H new ATOM 0 HD2 ARG A 116 8.470 -7.382 -4.931 1.00 1.10 H new ATOM 0 HD3 ARG A 116 8.597 -5.665 -4.601 1.00 1.10 H new ATOM 0 HE ARG A 116 11.208 -6.617 -4.105 1.00 1.16 H new ATOM 0 HH11 ARG A 116 8.839 -6.791 -6.670 1.00 1.13 H new ATOM 0 HH12 ARG A 116 10.050 -6.859 -7.955 1.00 1.13 H new ATOM 0 HH21 ARG A 116 12.759 -6.702 -5.751 1.00 1.23 H new ATOM 0 HH22 ARG A 116 12.250 -6.809 -7.439 1.00 1.23 H new ATOM 1890 N VAL A 117 5.077 -4.782 -2.783 1.00 0.95 N ATOM 1891 CA VAL A 117 3.949 -4.300 -3.637 1.00 0.91 C ATOM 1892 C VAL A 117 3.728 -2.796 -3.467 1.00 0.92 C ATOM 1893 O VAL A 117 3.529 -2.087 -4.434 1.00 0.94 O ATOM 1894 CB VAL A 117 2.667 -5.079 -3.274 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.418 -4.328 -3.764 1.00 0.82 C ATOM 1896 CG2 VAL A 117 2.710 -6.471 -3.931 1.00 0.85 C ATOM 0 H VAL A 117 4.804 -5.385 -2.007 1.00 0.95 H new ATOM 0 HA VAL A 117 4.200 -4.478 -4.683 1.00 0.91 H new ATOM 0 HB VAL A 117 2.616 -5.178 -2.190 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.525 -4.894 -3.498 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.377 -3.345 -3.295 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.465 -4.212 -4.847 1.00 0.82 H new ATOM 0 HG21 VAL A 117 1.805 -7.022 -3.675 1.00 0.85 H new ATOM 0 HG22 VAL A 117 2.774 -6.361 -5.014 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.582 -7.017 -3.570 1.00 0.85 H new ATOM 1906 N LEU A 118 3.742 -2.295 -2.270 1.00 0.91 N ATOM 1907 CA LEU A 118 3.511 -0.840 -2.104 1.00 0.92 C ATOM 1908 C LEU A 118 4.552 -0.105 -2.935 1.00 0.98 C ATOM 1909 O LEU A 118 4.255 0.871 -3.580 1.00 1.00 O ATOM 1910 CB LEU A 118 3.604 -0.430 -0.620 1.00 0.92 C ATOM 1911 CG LEU A 118 2.209 -0.434 0.041 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.407 0.821 -0.382 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.440 -1.721 -0.335 1.00 0.81 C ATOM 0 H LEU A 118 3.901 -2.820 -1.410 1.00 0.91 H new ATOM 0 HA LEU A 118 2.508 -0.581 -2.443 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.264 -1.116 -0.090 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.046 0.563 -0.540 1.00 0.92 H new ATOM 0 HG LEU A 118 2.337 -0.412 1.123 1.00 0.86 H new ATOM 0 HD11 LEU A 118 0.426 0.803 0.093 1.00 0.86 H new ATOM 0 HD12 LEU A 118 1.944 1.717 -0.072 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.286 0.827 -1.465 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.458 -1.710 0.138 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.320 -1.770 -1.417 1.00 0.81 H new ATOM 0 HD23 LEU A 118 1.998 -2.592 0.008 1.00 0.81 H new ATOM 1925 N TYR A 119 5.762 -0.587 -2.967 1.00 1.03 N ATOM 1926 CA TYR A 119 6.782 0.078 -3.813 1.00 1.09 C ATOM 1927 C TYR A 119 6.201 0.160 -5.215 1.00 1.08 C ATOM 1928 O TYR A 119 6.108 1.208 -5.824 1.00 1.11 O ATOM 1929 CB TYR A 119 8.033 -0.789 -3.850 1.00 1.13 C ATOM 1930 CG TYR A 119 9.124 -0.053 -4.575 1.00 1.20 C ATOM 1931 CD1 TYR A 119 9.774 1.013 -3.952 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.478 -0.434 -5.869 1.00 1.24 C ATOM 1933 CE1 TYR A 119 10.788 1.704 -4.626 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.491 0.253 -6.548 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.147 1.323 -5.926 1.00 1.34 C ATOM 1936 OH TYR A 119 12.146 2.002 -6.594 1.00 1.41 O ATOM 0 H TYR A 119 6.084 -1.404 -2.449 1.00 1.03 H new ATOM 0 HA TYR A 119 7.037 1.065 -3.428 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.353 -1.030 -2.836 1.00 1.13 H new ATOM 0 HB3 TYR A 119 7.820 -1.734 -4.351 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.495 1.305 -2.950 1.00 1.24 H new ATOM 0 HD2 TYR A 119 8.971 -1.259 -6.347 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.293 2.529 -4.145 1.00 1.31 H new ATOM 0 HE2 TYR A 119 10.766 -0.041 -7.550 1.00 1.31 H new ATOM 0 HH TYR A 119 12.270 1.609 -7.483 1.00 1.41 H new ATOM 1946 N ASN A 120 5.791 -0.969 -5.699 1.00 1.06 N ATOM 1947 CA ASN A 120 5.174 -1.054 -7.045 1.00 1.05 C ATOM 1948 C ASN A 120 4.138 0.081 -7.219 1.00 1.03 C ATOM 1949 O ASN A 120 4.010 0.664 -8.281 1.00 1.05 O ATOM 1950 CB ASN A 120 4.487 -2.438 -7.154 1.00 1.01 C ATOM 1951 CG ASN A 120 4.717 -3.045 -8.544 1.00 1.04 C ATOM 1952 OD1 ASN A 120 4.698 -2.345 -9.537 1.00 1.06 O ATOM 1953 ND2 ASN A 120 4.933 -4.327 -8.656 1.00 1.06 N ATOM 0 H ASN A 120 5.859 -1.860 -5.207 1.00 1.06 H new ATOM 0 HA ASN A 120 5.926 -0.944 -7.826 1.00 1.05 H new ATOM 0 HB2 ASN A 120 4.881 -3.107 -6.389 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.418 -2.335 -6.968 1.00 1.01 H new ATOM 0 HD21 ASN A 120 5.086 -4.740 -9.576 1.00 1.06 H new ATOM 0 HD22 ASN A 120 4.949 -4.916 -7.823 1.00 1.06 H new ATOM 1960 N LEU A 121 3.397 0.395 -6.185 1.00 0.99 N ATOM 1961 CA LEU A 121 2.376 1.476 -6.298 1.00 0.97 C ATOM 1962 C LEU A 121 3.072 2.831 -6.351 1.00 1.03 C ATOM 1963 O LEU A 121 2.919 3.562 -7.296 1.00 1.05 O ATOM 1964 CB LEU A 121 1.442 1.439 -5.082 1.00 0.92 C ATOM 1965 CG LEU A 121 0.277 0.453 -5.323 1.00 0.87 C ATOM 1966 CD1 LEU A 121 -0.266 -0.044 -3.980 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.855 1.152 -6.090 1.00 0.87 C ATOM 0 H LEU A 121 3.457 -0.051 -5.270 1.00 0.99 H new ATOM 0 HA LEU A 121 1.795 1.323 -7.208 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.001 1.140 -4.196 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.048 2.437 -4.889 1.00 0.92 H new ATOM 0 HG LEU A 121 0.647 -0.389 -5.907 1.00 0.87 H new ATOM 0 HD11 LEU A 121 -1.087 -0.739 -4.154 1.00 0.86 H new ATOM 0 HD12 LEU A 121 0.528 -0.551 -3.432 1.00 0.86 H new ATOM 0 HD13 LEU A 121 -0.626 0.804 -3.397 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.671 0.449 -6.255 1.00 0.87 H new ATOM 0 HD22 LEU A 121 -1.218 2.000 -5.509 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -0.480 1.504 -7.051 1.00 0.87 H new ATOM 1979 N PHE A 122 3.829 3.170 -5.337 1.00 1.05 N ATOM 1980 CA PHE A 122 4.539 4.484 -5.316 1.00 1.11 C ATOM 1981 C PHE A 122 5.091 4.758 -6.689 1.00 1.16 C ATOM 1982 O PHE A 122 5.235 5.872 -7.114 1.00 1.20 O ATOM 1983 CB PHE A 122 5.708 4.381 -4.311 1.00 1.14 C ATOM 1984 CG PHE A 122 5.874 5.659 -3.546 1.00 1.18 C ATOM 1985 CD1 PHE A 122 5.050 5.888 -2.461 1.00 1.16 C ATOM 1986 CD2 PHE A 122 6.855 6.590 -3.904 1.00 1.25 C ATOM 1987 CE1 PHE A 122 5.191 7.061 -1.707 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.000 7.767 -3.160 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.167 8.003 -2.059 1.00 1.27 C ATOM 0 H PHE A 122 3.986 2.586 -4.516 1.00 1.05 H new ATOM 0 HA PHE A 122 3.859 5.286 -5.027 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.525 3.560 -3.618 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.630 4.149 -4.843 1.00 1.14 H new ATOM 0 HD1 PHE A 122 4.296 5.162 -2.194 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.498 6.401 -4.751 1.00 1.25 H new ATOM 0 HE1 PHE A 122 4.549 7.238 -0.857 1.00 1.20 H new ATOM 0 HE2 PHE A 122 7.753 8.491 -3.434 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.277 8.909 -1.482 1.00 1.27 H new ATOM 1999 N THR A 123 5.373 3.725 -7.371 1.00 1.15 N ATOM 2000 CA THR A 123 5.914 3.875 -8.745 1.00 1.20 C ATOM 2001 C THR A 123 4.793 4.315 -9.684 1.00 1.18 C ATOM 2002 O THR A 123 4.929 5.251 -10.446 1.00 1.22 O ATOM 2003 CB THR A 123 6.484 2.536 -9.220 1.00 1.21 C ATOM 2004 OG1 THR A 123 7.272 1.966 -8.184 1.00 1.22 O ATOM 2005 CG2 THR A 123 7.352 2.759 -10.460 1.00 1.27 C ATOM 0 H THR A 123 5.258 2.764 -7.050 1.00 1.15 H new ATOM 0 HA THR A 123 6.705 4.624 -8.746 1.00 1.20 H new ATOM 0 HB THR A 123 5.666 1.860 -9.470 1.00 1.21 H new ATOM 0 HG1 THR A 123 6.685 1.611 -7.484 1.00 1.22 H new ATOM 0 HG21 THR A 123 7.757 1.805 -10.797 1.00 1.27 H new ATOM 0 HG22 THR A 123 6.747 3.197 -11.254 1.00 1.27 H new ATOM 0 HG23 THR A 123 8.171 3.434 -10.214 1.00 1.27 H new ATOM 2013 N LYS A 124 3.697 3.624 -9.644 1.00 1.12 N ATOM 2014 CA LYS A 124 2.558 3.944 -10.542 1.00 1.10 C ATOM 2015 C LYS A 124 1.856 5.262 -10.190 1.00 1.10 C ATOM 2016 O LYS A 124 1.219 5.853 -11.040 1.00 1.11 O ATOM 2017 CB LYS A 124 1.546 2.816 -10.423 1.00 1.04 C ATOM 2018 CG LYS A 124 2.116 1.541 -11.041 1.00 1.04 C ATOM 2019 CD LYS A 124 1.183 0.350 -10.724 1.00 0.99 C ATOM 2020 CE LYS A 124 1.013 -0.512 -11.967 1.00 0.98 C ATOM 2021 NZ LYS A 124 0.022 -1.590 -11.694 1.00 0.92 N ATOM 0 H LYS A 124 3.537 2.836 -9.016 1.00 1.12 H new ATOM 0 HA LYS A 124 2.953 4.053 -11.552 1.00 1.10 H new ATOM 0 HB2 LYS A 124 1.301 2.645 -9.375 1.00 1.04 H new ATOM 0 HB3 LYS A 124 0.619 3.092 -10.926 1.00 1.04 H new ATOM 0 HG2 LYS A 124 2.216 1.661 -12.120 1.00 1.04 H new ATOM 0 HG3 LYS A 124 3.114 1.349 -10.648 1.00 1.04 H new ATOM 0 HD2 LYS A 124 1.600 -0.245 -9.911 1.00 0.99 H new ATOM 0 HD3 LYS A 124 0.213 0.715 -10.387 1.00 0.99 H new ATOM 0 HE2 LYS A 124 0.678 0.101 -12.804 1.00 0.98 H new ATOM 0 HE3 LYS A 124 1.970 -0.948 -12.254 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 -0.208 -2.083 -12.581 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 0.424 -2.268 -11.016 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 -0.843 -1.173 -11.295 1.00 0.92 H new ATOM 2035 N TYR A 125 1.915 5.717 -8.960 1.00 1.10 N ATOM 2036 CA TYR A 125 1.185 6.982 -8.597 1.00 1.11 C ATOM 2037 C TYR A 125 2.163 8.146 -8.428 1.00 1.17 C ATOM 2038 O TYR A 125 1.785 9.299 -8.465 1.00 1.20 O ATOM 2039 CB TYR A 125 0.410 6.749 -7.297 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.844 5.947 -7.594 1.00 1.00 C ATOM 2041 CD1 TYR A 125 -0.752 4.589 -7.936 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -2.100 6.565 -7.532 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -1.912 3.856 -8.213 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -3.259 5.830 -7.808 1.00 0.94 C ATOM 2045 CZ TYR A 125 -3.165 4.476 -8.149 1.00 0.90 C ATOM 2046 OH TYR A 125 -4.307 3.752 -8.422 1.00 0.86 O ATOM 0 H TYR A 125 2.430 5.276 -8.198 1.00 1.10 H new ATOM 0 HA TYR A 125 0.494 7.241 -9.399 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.034 6.216 -6.579 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.145 7.704 -6.843 1.00 1.06 H new ATOM 0 HD1 TYR A 125 0.214 4.109 -7.986 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -2.174 7.610 -7.271 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -1.840 2.811 -8.476 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -4.226 6.308 -7.758 1.00 0.94 H new ATOM 0 HH TYR A 125 -5.092 4.332 -8.331 1.00 0.86 H new ATOM 2056 N ARG A 126 3.407 7.848 -8.242 1.00 1.20 N ATOM 2057 CA ARG A 126 4.440 8.904 -8.071 1.00 1.27 C ATOM 2058 C ARG A 126 4.209 10.053 -9.068 1.00 1.31 C ATOM 2059 O ARG A 126 4.562 11.188 -8.818 1.00 1.35 O ATOM 2060 CB ARG A 126 5.816 8.228 -8.292 1.00 1.31 C ATOM 2061 CG ARG A 126 6.752 9.120 -9.114 1.00 1.38 C ATOM 2062 CD ARG A 126 8.167 8.499 -9.205 1.00 1.42 C ATOM 2063 NE ARG A 126 9.207 9.553 -8.972 1.00 1.49 N ATOM 2064 CZ ARG A 126 9.141 10.718 -9.565 1.00 1.52 C ATOM 2065 NH1 ARG A 126 8.217 10.957 -10.453 1.00 1.50 N ATOM 2066 NH2 ARG A 126 10.025 11.637 -9.288 1.00 1.59 N ATOM 0 H ARG A 126 3.766 6.894 -8.199 1.00 1.20 H new ATOM 0 HA ARG A 126 4.392 9.344 -7.075 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.274 8.008 -7.328 1.00 1.31 H new ATOM 0 HB3 ARG A 126 5.677 7.275 -8.803 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.345 9.256 -10.116 1.00 1.38 H new ATOM 0 HG3 ARG A 126 6.813 10.108 -8.658 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.272 7.704 -8.467 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.311 8.045 -10.185 1.00 1.42 H new ATOM 0 HE ARG A 126 9.982 9.358 -8.338 1.00 1.49 H new ATOM 0 HH11 ARG A 126 7.538 10.233 -10.690 1.00 1.50 H new ATOM 0 HH12 ARG A 126 8.173 11.868 -10.910 1.00 1.50 H new ATOM 0 HH21 ARG A 126 10.764 11.446 -8.611 1.00 1.59 H new ATOM 0 HH22 ARG A 126 9.977 12.546 -9.748 1.00 1.59 H new ATOM 2080 N ASN A 127 3.649 9.754 -10.198 1.00 1.30 N ATOM 2081 CA ASN A 127 3.417 10.797 -11.233 1.00 1.33 C ATOM 2082 C ASN A 127 2.050 11.418 -11.002 1.00 1.29 C ATOM 2083 O ASN A 127 1.755 12.515 -11.432 1.00 1.31 O ATOM 2084 CB ASN A 127 3.463 10.108 -12.609 1.00 1.35 C ATOM 2085 CG ASN A 127 4.835 10.306 -13.266 1.00 1.43 C ATOM 2086 OD1 ASN A 127 5.130 11.369 -13.774 1.00 1.46 O ATOM 2087 ND2 ASN A 127 5.688 9.318 -13.277 1.00 1.46 N ATOM 0 H ASN A 127 3.336 8.818 -10.456 1.00 1.30 H new ATOM 0 HA ASN A 127 4.173 11.581 -11.184 1.00 1.33 H new ATOM 0 HB2 ASN A 127 3.258 9.043 -12.496 1.00 1.35 H new ATOM 0 HB3 ASN A 127 2.683 10.516 -13.252 1.00 1.35 H new ATOM 0 HD21 ASN A 127 6.603 9.439 -13.712 1.00 1.46 H new ATOM 0 HD22 ASN A 127 5.440 8.425 -12.850 1.00 1.46 H new ATOM 2094 N VAL A 128 1.223 10.701 -10.327 1.00 1.23 N ATOM 2095 CA VAL A 128 -0.144 11.180 -10.035 1.00 1.18 C ATOM 2096 C VAL A 128 -0.132 11.966 -8.733 1.00 1.15 C ATOM 2097 O VAL A 128 0.544 11.632 -7.781 1.00 1.11 O ATOM 2098 CB VAL A 128 -1.057 9.965 -9.916 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -2.405 10.366 -9.303 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -1.286 9.369 -11.307 1.00 1.17 C ATOM 0 H VAL A 128 1.438 9.777 -9.953 1.00 1.23 H new ATOM 0 HA VAL A 128 -0.505 11.832 -10.830 1.00 1.18 H new ATOM 0 HB VAL A 128 -0.583 9.227 -9.268 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -3.045 9.487 -9.225 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -2.243 10.786 -8.310 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.886 11.110 -9.938 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -1.938 8.500 -11.227 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -1.753 10.115 -11.950 1.00 1.17 H new ATOM 0 HG23 VAL A 128 -0.330 9.067 -11.735 1.00 1.17 H new ATOM 2110 N GLU A 129 -0.869 13.021 -8.717 1.00 1.19 N ATOM 2111 CA GLU A 129 -0.937 13.895 -7.528 1.00 1.17 C ATOM 2112 C GLU A 129 -1.627 13.158 -6.375 1.00 1.11 C ATOM 2113 O GLU A 129 -1.370 13.508 -5.235 1.00 1.08 O ATOM 2114 CB GLU A 129 -1.719 15.162 -7.913 1.00 1.21 C ATOM 2115 CG GLU A 129 -1.561 15.419 -9.422 1.00 1.28 C ATOM 2116 CD GLU A 129 -1.798 16.900 -9.733 1.00 1.30 C ATOM 2117 OE1 GLU A 129 -1.304 17.727 -8.984 1.00 1.32 O ATOM 2118 OE2 GLU A 129 -2.467 17.180 -10.714 1.00 1.30 O ATOM 2119 OXT GLU A 129 -2.401 12.256 -6.653 1.00 1.08 O ATOM 0 H GLU A 129 -1.446 13.327 -9.500 1.00 1.19 H new ATOM 0 HA GLU A 129 0.065 14.168 -7.196 1.00 1.17 H new ATOM 0 HB2 GLU A 129 -2.773 15.043 -7.661 1.00 1.21 H new ATOM 0 HB3 GLU A 129 -1.350 16.017 -7.346 1.00 1.21 H new ATOM 0 HG2 GLU A 129 -0.562 15.127 -9.746 1.00 1.28 H new ATOM 0 HG3 GLU A 129 -2.269 14.805 -9.979 1.00 1.28 H new TER 2126 GLU A 129 ATOM 2127 N ASP B 1 19.293 -0.510 -5.488 1.00 8.77 N ATOM 2128 CA ASP B 1 20.271 -0.513 -4.363 1.00 7.64 C ATOM 2129 C ASP B 1 19.635 0.137 -3.131 1.00 6.39 C ATOM 2130 O ASP B 1 18.576 0.731 -3.206 1.00 5.37 O ATOM 2131 CB ASP B 1 21.517 0.277 -4.769 1.00 8.05 C ATOM 2132 CG ASP B 1 22.110 -0.323 -6.045 1.00 9.22 C ATOM 2133 OD1 ASP B 1 21.441 -0.278 -7.064 1.00 9.45 O ATOM 2134 OD2 ASP B 1 23.224 -0.817 -5.981 1.00 10.03 O ATOM 0 H1 ASP B 1 19.772 -0.220 -6.364 1.00 8.77 H new ATOM 0 H2 ASP B 1 18.900 -1.465 -5.609 1.00 8.77 H new ATOM 0 H3 ASP B 1 18.523 0.157 -5.277 1.00 8.77 H new ATOM 0 HA ASP B 1 20.551 -1.540 -4.128 1.00 7.64 H new ATOM 0 HB2 ASP B 1 21.260 1.323 -4.932 1.00 8.05 H new ATOM 0 HB3 ASP B 1 22.254 0.252 -3.966 1.00 8.05 H new ATOM 2141 N LEU B 2 20.275 0.037 -1.997 1.00 6.54 N ATOM 2142 CA LEU B 2 19.704 0.656 -0.770 1.00 5.60 C ATOM 2143 C LEU B 2 19.901 2.168 -0.841 1.00 4.68 C ATOM 2144 O LEU B 2 19.007 2.939 -0.546 1.00 3.60 O ATOM 2145 CB LEU B 2 20.407 0.102 0.480 1.00 6.47 C ATOM 2146 CG LEU B 2 20.094 -1.410 0.656 1.00 7.32 C ATOM 2147 CD1 LEU B 2 21.185 -2.260 -0.008 1.00 8.33 C ATOM 2148 CD2 LEU B 2 20.036 -1.761 2.150 1.00 6.54 C ATOM 0 H LEU B 2 21.165 -0.445 -1.869 1.00 6.54 H new ATOM 0 HA LEU B 2 18.641 0.421 -0.707 1.00 5.60 H new ATOM 0 HB2 LEU B 2 21.484 0.249 0.394 1.00 6.47 H new ATOM 0 HB3 LEU B 2 20.080 0.652 1.362 1.00 6.47 H new ATOM 0 HG LEU B 2 19.133 -1.619 0.187 1.00 7.32 H new ATOM 0 HD11 LEU B 2 20.953 -3.317 0.123 1.00 8.33 H new ATOM 0 HD12 LEU B 2 21.230 -2.028 -1.072 1.00 8.33 H new ATOM 0 HD13 LEU B 2 22.148 -2.040 0.453 1.00 8.33 H new ATOM 0 HD21 LEU B 2 19.816 -2.822 2.266 1.00 6.54 H new ATOM 0 HD22 LEU B 2 20.996 -1.536 2.614 1.00 6.54 H new ATOM 0 HD23 LEU B 2 19.254 -1.174 2.632 1.00 6.54 H new ATOM 2160 N ASP B 3 21.060 2.598 -1.243 1.00 5.20 N ATOM 2161 CA ASP B 3 21.313 4.061 -1.349 1.00 4.64 C ATOM 2162 C ASP B 3 20.345 4.654 -2.371 1.00 3.51 C ATOM 2163 O ASP B 3 20.053 5.833 -2.357 1.00 2.74 O ATOM 2164 CB ASP B 3 22.753 4.303 -1.806 1.00 5.61 C ATOM 2165 CG ASP B 3 22.972 5.801 -2.030 1.00 6.82 C ATOM 2166 OD1 ASP B 3 22.370 6.582 -1.311 1.00 7.61 O ATOM 2167 OD2 ASP B 3 23.738 6.142 -2.915 1.00 6.92 O ATOM 0 H ASP B 3 21.845 2.001 -1.503 1.00 5.20 H new ATOM 0 HA ASP B 3 21.164 4.534 -0.378 1.00 4.64 H new ATOM 0 HB2 ASP B 3 23.451 3.931 -1.056 1.00 5.61 H new ATOM 0 HB3 ASP B 3 22.951 3.754 -2.727 1.00 5.61 H new ATOM 2172 N ALA B 4 19.841 3.838 -3.257 1.00 3.85 N ATOM 2173 CA ALA B 4 18.886 4.344 -4.280 1.00 3.42 C ATOM 2174 C ALA B 4 17.511 4.528 -3.636 1.00 2.89 C ATOM 2175 O ALA B 4 16.846 5.521 -3.844 1.00 2.66 O ATOM 2176 CB ALA B 4 18.784 3.337 -5.427 1.00 4.60 C ATOM 0 H ALA B 4 20.051 2.842 -3.315 1.00 3.85 H new ATOM 0 HA ALA B 4 19.238 5.299 -4.670 1.00 3.42 H new ATOM 0 HB1 ALA B 4 18.084 3.708 -6.176 1.00 4.60 H new ATOM 0 HB2 ALA B 4 19.765 3.203 -5.882 1.00 4.60 H new ATOM 0 HB3 ALA B 4 18.429 2.381 -5.041 1.00 4.60 H new ATOM 2182 N LEU B 5 17.081 3.579 -2.850 1.00 3.21 N ATOM 2183 CA LEU B 5 15.755 3.704 -2.193 1.00 2.91 C ATOM 2184 C LEU B 5 15.736 4.968 -1.331 1.00 1.92 C ATOM 2185 O LEU B 5 14.719 5.616 -1.186 1.00 2.42 O ATOM 2186 CB LEU B 5 15.522 2.472 -1.312 1.00 3.33 C ATOM 2187 CG LEU B 5 15.089 1.272 -2.181 1.00 4.74 C ATOM 2188 CD1 LEU B 5 15.449 -0.035 -1.469 1.00 5.26 C ATOM 2189 CD2 LEU B 5 13.572 1.306 -2.418 1.00 5.44 C ATOM 0 H LEU B 5 17.593 2.723 -2.636 1.00 3.21 H new ATOM 0 HA LEU B 5 14.968 3.771 -2.945 1.00 2.91 H new ATOM 0 HB2 LEU B 5 16.434 2.227 -0.768 1.00 3.33 H new ATOM 0 HB3 LEU B 5 14.755 2.687 -0.568 1.00 3.33 H new ATOM 0 HG LEU B 5 15.606 1.331 -3.139 1.00 4.74 H new ATOM 0 HD11 LEU B 5 15.142 -0.881 -2.084 1.00 5.26 H new ATOM 0 HD12 LEU B 5 16.526 -0.076 -1.306 1.00 5.26 H new ATOM 0 HD13 LEU B 5 14.935 -0.080 -0.509 1.00 5.26 H new ATOM 0 HD21 LEU B 5 13.281 0.454 -3.032 1.00 5.44 H new ATOM 0 HD22 LEU B 5 13.053 1.258 -1.461 1.00 5.44 H new ATOM 0 HD23 LEU B 5 13.304 2.231 -2.930 1.00 5.44 H new ATOM 2201 N LEU B 6 16.851 5.322 -0.753 1.00 1.59 N ATOM 2202 CA LEU B 6 16.891 6.541 0.103 1.00 2.01 C ATOM 2203 C LEU B 6 16.998 7.788 -0.778 1.00 2.52 C ATOM 2204 O LEU B 6 16.360 8.791 -0.530 1.00 3.51 O ATOM 2205 CB LEU B 6 18.109 6.468 1.032 1.00 2.97 C ATOM 2206 CG LEU B 6 18.041 7.587 2.094 1.00 3.38 C ATOM 2207 CD1 LEU B 6 17.150 7.156 3.267 1.00 4.76 C ATOM 2208 CD2 LEU B 6 19.450 7.878 2.622 1.00 3.25 C ATOM 0 H LEU B 6 17.735 4.820 -0.836 1.00 1.59 H new ATOM 0 HA LEU B 6 15.978 6.597 0.696 1.00 2.01 H new ATOM 0 HB2 LEU B 6 18.144 5.495 1.521 1.00 2.97 H new ATOM 0 HB3 LEU B 6 19.025 6.565 0.450 1.00 2.97 H new ATOM 0 HG LEU B 6 17.621 8.481 1.632 1.00 3.38 H new ATOM 0 HD11 LEU B 6 17.112 7.955 4.008 1.00 4.76 H new ATOM 0 HD12 LEU B 6 16.143 6.950 2.903 1.00 4.76 H new ATOM 0 HD13 LEU B 6 17.561 6.256 3.725 1.00 4.76 H new ATOM 0 HD21 LEU B 6 19.402 8.668 3.372 1.00 3.25 H new ATOM 0 HD22 LEU B 6 19.864 6.975 3.072 1.00 3.25 H new ATOM 0 HD23 LEU B 6 20.088 8.198 1.798 1.00 3.25 H new ATOM 2220 N ALA B 7 17.804 7.736 -1.801 1.00 2.20 N ATOM 2221 CA ALA B 7 17.958 8.922 -2.691 1.00 2.86 C ATOM 2222 C ALA B 7 16.662 9.163 -3.470 1.00 3.63 C ATOM 2223 O ALA B 7 16.504 10.177 -4.121 1.00 4.63 O ATOM 2224 CB ALA B 7 19.104 8.671 -3.672 1.00 2.54 C ATOM 0 H ALA B 7 18.363 6.923 -2.060 1.00 2.20 H new ATOM 0 HA ALA B 7 18.177 9.801 -2.085 1.00 2.86 H new ATOM 0 HB1 ALA B 7 19.220 9.536 -4.325 1.00 2.54 H new ATOM 0 HB2 ALA B 7 20.028 8.508 -3.118 1.00 2.54 H new ATOM 0 HB3 ALA B 7 18.882 7.790 -4.274 1.00 2.54 H new ATOM 2230 N ASP B 8 15.738 8.235 -3.416 1.00 3.56 N ATOM 2231 CA ASP B 8 14.448 8.396 -4.161 1.00 4.78 C ATOM 2232 C ASP B 8 13.304 8.697 -3.186 1.00 5.44 C ATOM 2233 O ASP B 8 12.378 9.415 -3.510 1.00 6.57 O ATOM 2234 CB ASP B 8 14.139 7.097 -4.909 1.00 5.06 C ATOM 2235 CG ASP B 8 12.871 7.278 -5.745 1.00 5.28 C ATOM 2236 OD1 ASP B 8 11.796 7.248 -5.169 1.00 5.19 O ATOM 2237 OD2 ASP B 8 12.996 7.445 -6.947 1.00 5.79 O ATOM 0 H ASP B 8 15.821 7.368 -2.885 1.00 3.56 H new ATOM 0 HA ASP B 8 14.543 9.224 -4.863 1.00 4.78 H new ATOM 0 HB2 ASP B 8 14.976 6.828 -5.553 1.00 5.06 H new ATOM 0 HB3 ASP B 8 14.006 6.280 -4.200 1.00 5.06 H new ATOM 2242 N LEU B 9 13.344 8.145 -1.999 1.00 4.79 N ATOM 2243 CA LEU B 9 12.241 8.394 -1.016 1.00 5.50 C ATOM 2244 C LEU B 9 12.590 9.575 -0.103 1.00 6.37 C ATOM 2245 O LEU B 9 11.822 9.936 0.767 1.00 7.54 O ATOM 2246 CB LEU B 9 12.032 7.144 -0.157 1.00 4.72 C ATOM 2247 CG LEU B 9 11.590 5.963 -1.043 1.00 3.99 C ATOM 2248 CD1 LEU B 9 11.881 4.648 -0.323 1.00 3.18 C ATOM 2249 CD2 LEU B 9 10.082 6.038 -1.323 1.00 4.98 C ATOM 0 H LEU B 9 14.090 7.534 -1.667 1.00 4.79 H new ATOM 0 HA LEU B 9 11.330 8.628 -1.567 1.00 5.50 H new ATOM 0 HB2 LEU B 9 12.956 6.892 0.364 1.00 4.72 H new ATOM 0 HB3 LEU B 9 11.278 7.339 0.606 1.00 4.72 H new ATOM 0 HG LEU B 9 12.139 6.013 -1.983 1.00 3.99 H new ATOM 0 HD11 LEU B 9 11.568 3.813 -0.950 1.00 3.18 H new ATOM 0 HD12 LEU B 9 12.950 4.571 -0.123 1.00 3.18 H new ATOM 0 HD13 LEU B 9 11.333 4.620 0.619 1.00 3.18 H new ATOM 0 HD21 LEU B 9 9.786 5.197 -1.950 1.00 4.98 H new ATOM 0 HD22 LEU B 9 9.535 5.999 -0.381 1.00 4.98 H new ATOM 0 HD23 LEU B 9 9.853 6.972 -1.837 1.00 4.98 H new ATOM 2261 N GLU B 10 13.738 10.177 -0.280 1.00 5.97 N ATOM 2262 CA GLU B 10 14.125 11.324 0.586 1.00 6.96 C ATOM 2263 C GLU B 10 12.942 12.292 0.738 1.00 7.65 C ATOM 2264 O GLU B 10 12.230 12.175 1.721 1.00 8.69 O ATOM 2265 CB GLU B 10 15.338 12.049 -0.018 1.00 6.57 C ATOM 2266 CG GLU B 10 15.377 11.763 -1.501 1.00 6.56 C ATOM 2267 CD GLU B 10 16.284 12.769 -2.214 1.00 6.60 C ATOM 2268 OE1 GLU B 10 16.965 13.513 -1.528 1.00 7.16 O ATOM 2269 OE2 GLU B 10 16.282 12.777 -3.434 1.00 6.36 O ATOM 2270 OXT GLU B 10 12.773 13.130 -0.132 1.00 7.20 O ATOM 0 H GLU B 10 14.424 9.921 -0.990 1.00 5.97 H new ATOM 0 HA GLU B 10 14.397 10.951 1.573 1.00 6.96 H new ATOM 0 HB2 GLU B 10 15.265 13.122 0.159 1.00 6.57 H new ATOM 0 HB3 GLU B 10 16.258 11.709 0.458 1.00 6.57 H new ATOM 0 HG2 GLU B 10 15.741 10.750 -1.673 1.00 6.56 H new ATOM 0 HG3 GLU B 10 14.370 11.815 -1.915 1.00 6.56 H new TER 2277 GLU B 10