USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 775 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 112 HIS : no HD1:sc= -0.135 X(o=-0.29,f=-0.29) USER MOD Set 1.2: A 113 GLN :FLIP amide:sc= -0.153 X(o=-0.66,f=-0.29) USER MOD Set 2.1: A 80 GLN : amide:sc= -1.92 K(o=-1.8,f=-2.3) USER MOD Set 2.2: A 84 THR OG1 : rot 85:sc= 0.132 USER MOD Set 3.1: A 45 LYS NZ :NH3+ 158:sc= 0.204 (180deg=0) USER MOD Set 3.2: A 48 CYS SG : rot -1:sc= -0.588 USER MOD Set 4.1: A 44 SER OG : rot 23:sc= 0.278 USER MOD Set 4.2: A 51 SER OG : rot 80:sc= -0.0662 USER MOD Set 4.3: A 52 THR OG1 : rot -3:sc= 1.24 USER MOD Single : A 38 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.2!) USER MOD Single : A 41 MET CE :methyl 138:sc= -11.4! (180deg=-21.9!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.987 X(o=-0.99,f=-0.9) USER MOD Single : A 55 LYS NZ :NH3+ 136:sc= -1.2 (180deg=-5.12!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.234 K(o=-0.23,f=-1.8!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 89 GLN : amide:sc= -6.24! C(o=-6.2!,f=-8!) USER MOD Single : A 90 LYS NZ :NH3+ 163:sc= -0.0158 (180deg=-0.206) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 94 ASN : amide:sc= -3.62! C(o=-3.6!,f=-6!) USER MOD Single : A 98 ASN :FLIP amide:sc= 0.934 F(o=-0.36,f=0.93) USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.697) USER MOD Single : A 101 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.63) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -126:sc= -1.79 USER MOD Single : A 110 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.5) USER MOD Single : A 114 ASN : amide:sc= 0.035 X(o=0.035,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 27 3.483 -2.187 -5.459 1.00 1.02 N ATOM 66 CA LEU A 27 4.537 -3.057 -5.969 1.00 4.23 C ATOM 67 C LEU A 27 3.978 -4.059 -6.974 1.00 12.12 C ATOM 68 O LEU A 27 4.405 -4.099 -8.128 1.00 0.22 O ATOM 69 CB LEU A 27 5.215 -3.800 -4.816 1.00 2.23 C ATOM 70 CG LEU A 27 6.049 -5.022 -5.202 1.00 73.01 C ATOM 71 CD1 LEU A 27 7.513 -4.802 -4.850 1.00 74.41 C ATOM 72 CD2 LEU A 27 5.515 -6.271 -4.516 1.00 13.44 C ATOM 0 HA LEU A 27 5.274 -2.434 -6.476 1.00 4.23 H new ATOM 0 HB2 LEU A 27 5.859 -3.098 -4.287 1.00 2.23 H new ATOM 0 HB3 LEU A 27 4.445 -4.118 -4.113 1.00 2.23 H new ATOM 0 HG LEU A 27 5.973 -5.164 -6.280 1.00 73.01 H new ATOM 0 HD11 LEU A 27 8.091 -5.682 -5.132 1.00 74.41 H new ATOM 0 HD12 LEU A 27 7.890 -3.932 -5.388 1.00 74.41 H new ATOM 0 HD13 LEU A 27 7.608 -4.634 -3.777 1.00 74.41 H new ATOM 0 HD21 LEU A 27 6.121 -7.131 -4.802 1.00 13.44 H new ATOM 0 HD22 LEU A 27 5.560 -6.140 -3.435 1.00 13.44 H new ATOM 0 HD23 LEU A 27 4.481 -6.439 -4.819 1.00 13.44 H new ATOM 84 N ARG A 28 3.018 -4.863 -6.529 1.00 10.12 N ATOM 85 CA ARG A 28 2.399 -5.864 -7.390 1.00 13.43 C ATOM 86 C ARG A 28 1.892 -5.230 -8.682 1.00 53.11 C ATOM 87 O ARG A 28 1.976 -5.829 -9.753 1.00 71.23 O ATOM 88 CB ARG A 28 1.245 -6.552 -6.659 1.00 71.52 C ATOM 89 CG ARG A 28 0.902 -7.924 -7.218 1.00 1.20 C ATOM 90 CD ARG A 28 0.232 -7.818 -8.579 1.00 73.22 C ATOM 91 NE ARG A 28 -0.751 -8.879 -8.789 1.00 3.03 N ATOM 92 CZ ARG A 28 -1.739 -8.801 -9.672 1.00 14.23 C ATOM 93 NH1 ARG A 28 -1.877 -7.718 -10.424 1.00 10.44 N ATOM 94 NH2 ARG A 28 -2.594 -9.808 -9.804 1.00 42.34 N ATOM 0 H ARG A 28 2.652 -4.841 -5.577 1.00 10.12 H new ATOM 0 HA ARG A 28 3.154 -6.608 -7.643 1.00 13.43 H new ATOM 0 HB2 ARG A 28 1.502 -6.652 -5.605 1.00 71.52 H new ATOM 0 HB3 ARG A 28 0.361 -5.916 -6.712 1.00 71.52 H new ATOM 0 HG2 ARG A 28 1.810 -8.521 -7.303 1.00 1.20 H new ATOM 0 HG3 ARG A 28 0.242 -8.446 -6.525 1.00 1.20 H new ATOM 0 HD2 ARG A 28 -0.257 -6.848 -8.668 1.00 73.22 H new ATOM 0 HD3 ARG A 28 0.990 -7.866 -9.361 1.00 73.22 H new ATOM 0 HE ARG A 28 -0.674 -9.726 -8.226 1.00 3.03 H new ATOM 0 HH11 ARG A 28 -1.223 -6.942 -10.325 1.00 10.44 H new ATOM 0 HH12 ARG A 28 -2.637 -7.661 -11.102 1.00 10.44 H new ATOM 0 HH21 ARG A 28 -2.492 -10.643 -9.227 1.00 42.34 H new ATOM 0 HH22 ARG A 28 -3.353 -9.747 -10.483 1.00 42.34 H new ATOM 108 N ARG A 29 1.365 -4.015 -8.572 1.00 13.12 N ATOM 109 CA ARG A 29 0.842 -3.300 -9.730 1.00 64.33 C ATOM 110 C ARG A 29 1.919 -3.139 -10.800 1.00 61.11 C ATOM 111 O ARG A 29 1.614 -2.970 -11.981 1.00 71.10 O ATOM 112 CB ARG A 29 0.313 -1.927 -9.314 1.00 11.01 C ATOM 113 CG ARG A 29 -1.138 -1.691 -9.700 1.00 15.21 C ATOM 114 CD ARG A 29 -2.078 -2.585 -8.906 1.00 11.33 C ATOM 115 NE ARG A 29 -2.595 -1.916 -7.715 1.00 0.14 N ATOM 116 CZ ARG A 29 -3.467 -0.915 -7.755 1.00 2.30 C ATOM 117 NH1 ARG A 29 -3.918 -0.470 -8.919 1.00 51.13 N ATOM 118 NH2 ARG A 29 -3.890 -0.357 -6.628 1.00 14.31 N ATOM 0 H ARG A 29 1.289 -3.505 -7.692 1.00 13.12 H new ATOM 0 HA ARG A 29 0.022 -3.885 -10.147 1.00 64.33 H new ATOM 0 HB2 ARG A 29 0.415 -1.820 -8.234 1.00 11.01 H new ATOM 0 HB3 ARG A 29 0.932 -1.155 -9.771 1.00 11.01 H new ATOM 0 HG2 ARG A 29 -1.396 -0.646 -9.528 1.00 15.21 H new ATOM 0 HG3 ARG A 29 -1.268 -1.880 -10.766 1.00 15.21 H new ATOM 0 HD2 ARG A 29 -2.910 -2.890 -9.540 1.00 11.33 H new ATOM 0 HD3 ARG A 29 -1.552 -3.493 -8.612 1.00 11.33 H new ATOM 0 HE ARG A 29 -2.269 -2.235 -6.803 1.00 0.14 H new ATOM 0 HH11 ARG A 29 -3.595 -0.896 -9.788 1.00 51.13 H new ATOM 0 HH12 ARG A 29 -4.588 0.299 -8.946 1.00 51.13 H new ATOM 0 HH21 ARG A 29 -3.545 -0.697 -5.730 1.00 14.31 H new ATOM 0 HH22 ARG A 29 -4.560 0.412 -6.660 1.00 14.31 H new ATOM 132 N ARG A 30 3.178 -3.192 -10.378 1.00 54.32 N ATOM 133 CA ARG A 30 4.299 -3.049 -11.299 1.00 60.33 C ATOM 134 C ARG A 30 4.670 -4.396 -11.916 1.00 10.34 C ATOM 135 O ARG A 30 4.970 -4.483 -13.107 1.00 61.52 O ATOM 136 CB ARG A 30 5.509 -2.458 -10.576 1.00 51.53 C ATOM 137 CG ARG A 30 6.680 -2.152 -11.496 1.00 51.33 C ATOM 138 CD ARG A 30 8.010 -2.300 -10.775 1.00 13.25 C ATOM 139 NE ARG A 30 8.033 -1.563 -9.514 1.00 35.14 N ATOM 140 CZ ARG A 30 8.960 -1.738 -8.578 1.00 12.31 C ATOM 141 NH1 ARG A 30 9.934 -2.617 -8.761 1.00 32.54 N ATOM 142 NH2 ARG A 30 8.913 -1.029 -7.457 1.00 1.04 N ATOM 0 H ARG A 30 3.447 -3.333 -9.404 1.00 54.32 H new ATOM 0 HA ARG A 30 3.996 -2.372 -12.098 1.00 60.33 H new ATOM 0 HB2 ARG A 30 5.207 -1.541 -10.070 1.00 51.53 H new ATOM 0 HB3 ARG A 30 5.837 -3.155 -9.805 1.00 51.53 H new ATOM 0 HG2 ARG A 30 6.654 -2.823 -12.355 1.00 51.33 H new ATOM 0 HG3 ARG A 30 6.585 -1.137 -11.882 1.00 51.33 H new ATOM 0 HD2 ARG A 30 8.202 -3.355 -10.582 1.00 13.25 H new ATOM 0 HD3 ARG A 30 8.813 -1.942 -11.419 1.00 13.25 H new ATOM 0 HE ARG A 30 7.298 -0.877 -9.343 1.00 35.14 H new ATOM 0 HH11 ARG A 30 9.974 -3.162 -9.622 1.00 32.54 H new ATOM 0 HH12 ARG A 30 10.644 -2.749 -8.041 1.00 32.54 H new ATOM 0 HH21 ARG A 30 8.165 -0.350 -7.314 1.00 1.04 H new ATOM 0 HH22 ARG A 30 9.624 -1.163 -6.738 1.00 1.04 H new ATOM 156 N LEU A 31 4.648 -5.441 -11.098 1.00 33.32 N ATOM 157 CA LEU A 31 4.982 -6.783 -11.562 1.00 32.52 C ATOM 158 C LEU A 31 3.966 -7.273 -12.588 1.00 32.11 C ATOM 159 O LEU A 31 4.315 -7.982 -13.533 1.00 11.04 O ATOM 160 CB LEU A 31 5.038 -7.754 -10.380 1.00 43.34 C ATOM 161 CG LEU A 31 5.650 -7.205 -9.091 1.00 30.42 C ATOM 162 CD1 LEU A 31 5.801 -8.312 -8.058 1.00 72.33 C ATOM 163 CD2 LEU A 31 6.994 -6.551 -9.374 1.00 10.33 C ATOM 0 H LEU A 31 4.402 -5.386 -10.110 1.00 33.32 H new ATOM 0 HA LEU A 31 5.962 -6.742 -12.038 1.00 32.52 H new ATOM 0 HB2 LEU A 31 4.024 -8.090 -10.163 1.00 43.34 H new ATOM 0 HB3 LEU A 31 5.607 -8.633 -10.684 1.00 43.34 H new ATOM 0 HG LEU A 31 4.978 -6.448 -8.687 1.00 30.42 H new ATOM 0 HD11 LEU A 31 6.238 -7.903 -7.147 1.00 72.33 H new ATOM 0 HD12 LEU A 31 4.822 -8.735 -7.832 1.00 72.33 H new ATOM 0 HD13 LEU A 31 6.451 -9.092 -8.453 1.00 72.33 H new ATOM 0 HD21 LEU A 31 7.414 -6.166 -8.445 1.00 10.33 H new ATOM 0 HD22 LEU A 31 7.674 -7.287 -9.802 1.00 10.33 H new ATOM 0 HD23 LEU A 31 6.858 -5.730 -10.078 1.00 10.33 H new ATOM 175 N ARG A 32 2.708 -6.889 -12.398 1.00 72.31 N ATOM 176 CA ARG A 32 1.640 -7.289 -13.308 1.00 42.20 C ATOM 177 C ARG A 32 1.598 -6.375 -14.529 1.00 74.44 C ATOM 178 O ARG A 32 1.127 -6.771 -15.596 1.00 53.51 O ATOM 179 CB ARG A 32 0.291 -7.261 -12.589 1.00 42.31 C ATOM 180 CG ARG A 32 -0.839 -7.884 -13.391 1.00 55.14 C ATOM 181 CD ARG A 32 -0.757 -9.402 -13.383 1.00 22.32 C ATOM 182 NE ARG A 32 -1.890 -10.016 -14.070 1.00 72.03 N ATOM 183 CZ ARG A 32 -2.014 -10.055 -15.392 1.00 75.33 C ATOM 184 NH1 ARG A 32 -1.080 -9.519 -16.165 1.00 44.01 N ATOM 185 NH2 ARG A 32 -3.074 -10.631 -15.944 1.00 34.32 N ATOM 0 H ARG A 32 2.403 -6.301 -11.622 1.00 72.31 H new ATOM 0 HA ARG A 32 1.843 -8.306 -13.643 1.00 42.20 H new ATOM 0 HB2 ARG A 32 0.384 -7.787 -11.639 1.00 42.31 H new ATOM 0 HB3 ARG A 32 0.034 -6.227 -12.357 1.00 42.31 H new ATOM 0 HG2 ARG A 32 -1.797 -7.568 -12.978 1.00 55.14 H new ATOM 0 HG3 ARG A 32 -0.800 -7.522 -14.418 1.00 55.14 H new ATOM 0 HD2 ARG A 32 0.171 -9.717 -13.861 1.00 22.32 H new ATOM 0 HD3 ARG A 32 -0.722 -9.757 -12.353 1.00 22.32 H new ATOM 0 HE ARG A 32 -2.626 -10.438 -13.504 1.00 72.03 H new ATOM 0 HH11 ARG A 32 -0.263 -9.075 -15.745 1.00 44.01 H new ATOM 0 HH12 ARG A 32 -1.178 -9.551 -17.180 1.00 44.01 H new ATOM 0 HH21 ARG A 32 -3.795 -11.045 -15.353 1.00 34.32 H new ATOM 0 HH22 ARG A 32 -3.168 -10.660 -16.959 1.00 34.32 H new ATOM 199 N ASP A 33 2.091 -5.153 -14.366 1.00 3.03 N ATOM 200 CA ASP A 33 2.110 -4.184 -15.455 1.00 3.23 C ATOM 201 C ASP A 33 3.316 -4.409 -16.363 1.00 14.34 C ATOM 202 O ASP A 33 3.244 -4.190 -17.573 1.00 5.43 O ATOM 203 CB ASP A 33 2.135 -2.759 -14.897 1.00 61.33 C ATOM 204 CG ASP A 33 2.036 -1.709 -15.986 1.00 65.12 C ATOM 205 OD1 ASP A 33 3.052 -1.470 -16.674 1.00 55.02 O ATOM 206 OD2 ASP A 33 0.944 -1.128 -16.152 1.00 14.21 O ATOM 0 H ASP A 33 2.483 -4.809 -13.489 1.00 3.03 H new ATOM 0 HA ASP A 33 1.204 -4.320 -16.045 1.00 3.23 H new ATOM 0 HB2 ASP A 33 1.309 -2.631 -14.197 1.00 61.33 H new ATOM 0 HB3 ASP A 33 3.056 -2.609 -14.334 1.00 61.33 H new ATOM 211 N LEU A 34 4.421 -4.847 -15.771 1.00 4.44 N ATOM 212 CA LEU A 34 5.644 -5.101 -16.526 1.00 15.24 C ATOM 213 C LEU A 34 5.390 -6.096 -17.653 1.00 51.24 C ATOM 214 O LEU A 34 6.144 -6.153 -18.625 1.00 24.41 O ATOM 215 CB LEU A 34 6.738 -5.631 -15.598 1.00 64.34 C ATOM 216 CG LEU A 34 8.114 -4.981 -15.743 1.00 1.12 C ATOM 217 CD1 LEU A 34 9.125 -5.661 -14.832 1.00 11.43 C ATOM 218 CD2 LEU A 34 8.579 -5.032 -17.191 1.00 21.20 C ATOM 0 H LEU A 34 4.496 -5.034 -14.771 1.00 4.44 H new ATOM 0 HA LEU A 34 5.974 -4.160 -16.965 1.00 15.24 H new ATOM 0 HB2 LEU A 34 6.405 -5.505 -14.568 1.00 64.34 H new ATOM 0 HB3 LEU A 34 6.844 -6.702 -15.769 1.00 64.34 H new ATOM 0 HG LEU A 34 8.033 -3.936 -15.445 1.00 1.12 H new ATOM 0 HD11 LEU A 34 10.098 -5.185 -14.949 1.00 11.43 H new ATOM 0 HD12 LEU A 34 8.799 -5.571 -13.796 1.00 11.43 H new ATOM 0 HD13 LEU A 34 9.203 -6.715 -15.098 1.00 11.43 H new ATOM 0 HD21 LEU A 34 9.560 -4.565 -17.275 1.00 21.20 H new ATOM 0 HD22 LEU A 34 8.643 -6.070 -17.516 1.00 21.20 H new ATOM 0 HD23 LEU A 34 7.868 -4.498 -17.821 1.00 21.20 H new ATOM 230 N ILE A 35 4.323 -6.877 -17.517 1.00 45.02 N ATOM 231 CA ILE A 35 3.969 -7.867 -18.527 1.00 32.35 C ATOM 232 C ILE A 35 3.509 -7.197 -19.816 1.00 73.31 C ATOM 233 O ILE A 35 3.737 -7.712 -20.910 1.00 44.24 O ATOM 234 CB ILE A 35 2.857 -8.809 -18.025 1.00 42.21 C ATOM 235 CG1 ILE A 35 3.241 -9.410 -16.672 1.00 22.53 C ATOM 236 CG2 ILE A 35 2.595 -9.906 -19.044 1.00 71.40 C ATOM 237 CD1 ILE A 35 4.461 -10.303 -16.732 1.00 11.45 C ATOM 0 H ILE A 35 3.690 -6.843 -16.718 1.00 45.02 H new ATOM 0 HA ILE A 35 4.867 -8.451 -18.726 1.00 32.35 H new ATOM 0 HB ILE A 35 1.941 -8.232 -17.897 1.00 42.21 H new ATOM 0 HG12 ILE A 35 3.426 -8.602 -15.964 1.00 22.53 H new ATOM 0 HG13 ILE A 35 2.399 -9.985 -16.286 1.00 22.53 H new ATOM 0 HG21 ILE A 35 1.807 -10.564 -18.676 1.00 71.40 H new ATOM 0 HG22 ILE A 35 2.283 -9.459 -19.988 1.00 71.40 H new ATOM 0 HG23 ILE A 35 3.506 -10.483 -19.200 1.00 71.40 H new ATOM 0 HD11 ILE A 35 4.675 -10.694 -15.737 1.00 11.45 H new ATOM 0 HD12 ILE A 35 4.272 -11.131 -17.415 1.00 11.45 H new ATOM 0 HD13 ILE A 35 5.316 -9.728 -17.087 1.00 11.45 H new ATOM 249 N GLU A 36 2.859 -6.045 -19.680 1.00 22.20 N ATOM 250 CA GLU A 36 2.368 -5.304 -20.835 1.00 51.35 C ATOM 251 C GLU A 36 3.314 -4.160 -21.192 1.00 22.55 C ATOM 252 O GLU A 36 3.517 -3.851 -22.365 1.00 3.54 O ATOM 253 CB GLU A 36 0.967 -4.754 -20.558 1.00 1.31 C ATOM 254 CG GLU A 36 0.470 -3.790 -21.623 1.00 24.10 C ATOM 255 CD GLU A 36 0.712 -2.339 -21.255 1.00 15.34 C ATOM 256 OE1 GLU A 36 0.415 -1.962 -20.101 1.00 74.44 O ATOM 257 OE2 GLU A 36 1.198 -1.581 -22.119 1.00 43.32 O ATOM 0 H GLU A 36 2.661 -5.605 -18.781 1.00 22.20 H new ATOM 0 HA GLU A 36 2.321 -5.990 -21.681 1.00 51.35 H new ATOM 0 HB2 GLU A 36 0.268 -5.587 -20.479 1.00 1.31 H new ATOM 0 HB3 GLU A 36 0.969 -4.247 -19.593 1.00 1.31 H new ATOM 0 HG2 GLU A 36 0.968 -4.009 -22.567 1.00 24.10 H new ATOM 0 HG3 GLU A 36 -0.597 -3.948 -21.781 1.00 24.10 H new ATOM 264 N GLY A 37 3.890 -3.536 -20.168 1.00 70.41 N ATOM 265 CA GLY A 37 4.807 -2.434 -20.393 1.00 11.33 C ATOM 266 C GLY A 37 5.977 -2.824 -21.273 1.00 43.43 C ATOM 267 O GLY A 37 6.605 -1.969 -21.896 1.00 0.45 O ATOM 0 H GLY A 37 3.738 -3.774 -19.188 1.00 70.41 H new ATOM 0 HA2 GLY A 37 4.269 -1.606 -20.855 1.00 11.33 H new ATOM 0 HA3 GLY A 37 5.181 -2.075 -19.434 1.00 11.33 H new ATOM 271 N ASN A 38 6.271 -4.119 -21.325 1.00 23.02 N ATOM 272 CA ASN A 38 7.377 -4.620 -22.135 1.00 0.03 C ATOM 273 C ASN A 38 6.952 -5.849 -22.933 1.00 3.14 C ATOM 274 O ASN A 38 6.322 -6.761 -22.398 1.00 61.24 O ATOM 275 CB ASN A 38 8.573 -4.964 -21.245 1.00 50.10 C ATOM 276 CG ASN A 38 9.231 -3.730 -20.659 1.00 1.20 C ATOM 277 OD1 ASN A 38 9.007 -2.612 -21.124 1.00 72.34 O ATOM 278 ND2 ASN A 38 10.050 -3.927 -19.632 1.00 12.51 N ATOM 0 H ASN A 38 5.760 -4.840 -20.817 1.00 23.02 H new ATOM 0 HA ASN A 38 7.667 -3.836 -22.835 1.00 0.03 H new ATOM 0 HB2 ASN A 38 8.245 -5.616 -20.436 1.00 50.10 H new ATOM 0 HB3 ASN A 38 9.307 -5.522 -21.827 1.00 50.10 H new ATOM 0 HD21 ASN A 38 10.522 -3.134 -19.197 1.00 12.51 H new ATOM 0 HD22 ASN A 38 10.207 -4.871 -19.279 1.00 12.51 H new ATOM 285 N ARG A 39 7.302 -5.864 -24.215 1.00 23.31 N ATOM 286 CA ARG A 39 6.958 -6.981 -25.087 1.00 42.33 C ATOM 287 C ARG A 39 7.327 -8.311 -24.439 1.00 65.32 C ATOM 288 O ARG A 39 6.506 -9.225 -24.359 1.00 44.04 O ATOM 289 CB ARG A 39 7.669 -6.842 -26.434 1.00 2.34 C ATOM 290 CG ARG A 39 6.878 -7.406 -27.602 1.00 2.51 C ATOM 291 CD ARG A 39 7.119 -8.898 -27.769 1.00 41.40 C ATOM 292 NE ARG A 39 6.933 -9.332 -29.151 1.00 11.43 N ATOM 293 CZ ARG A 39 7.847 -9.170 -30.101 1.00 55.51 C ATOM 294 NH1 ARG A 39 9.005 -8.589 -29.820 1.00 43.44 N ATOM 295 NH2 ARG A 39 7.604 -9.591 -31.336 1.00 40.44 N ATOM 0 H ARG A 39 7.823 -5.116 -24.673 1.00 23.31 H new ATOM 0 HA ARG A 39 5.880 -6.963 -25.250 1.00 42.33 H new ATOM 0 HB2 ARG A 39 7.873 -5.788 -26.620 1.00 2.34 H new ATOM 0 HB3 ARG A 39 8.633 -7.349 -26.380 1.00 2.34 H new ATOM 0 HG2 ARG A 39 5.815 -7.223 -27.445 1.00 2.51 H new ATOM 0 HG3 ARG A 39 7.159 -6.886 -28.518 1.00 2.51 H new ATOM 0 HD2 ARG A 39 8.132 -9.140 -27.447 1.00 41.40 H new ATOM 0 HD3 ARG A 39 6.438 -9.450 -27.121 1.00 41.40 H new ATOM 0 HE ARG A 39 6.053 -9.784 -29.400 1.00 11.43 H new ATOM 0 HH11 ARG A 39 9.196 -8.265 -28.872 1.00 43.44 H new ATOM 0 HH12 ARG A 39 9.705 -8.466 -30.552 1.00 43.44 H new ATOM 0 HH21 ARG A 39 6.715 -10.039 -31.556 1.00 40.44 H new ATOM 0 HH22 ARG A 39 8.307 -9.466 -32.065 1.00 40.44 H new ATOM 309 N VAL A 40 8.570 -8.414 -23.977 1.00 50.42 N ATOM 310 CA VAL A 40 9.049 -9.633 -23.336 1.00 4.31 C ATOM 311 C VAL A 40 9.786 -9.318 -22.039 1.00 1.10 C ATOM 312 O VAL A 40 10.823 -8.656 -22.047 1.00 1.13 O ATOM 313 CB VAL A 40 9.987 -10.425 -24.266 1.00 54.25 C ATOM 314 CG1 VAL A 40 10.534 -11.652 -23.553 1.00 22.33 C ATOM 315 CG2 VAL A 40 9.260 -10.819 -25.543 1.00 31.52 C ATOM 0 H VAL A 40 9.263 -7.668 -24.035 1.00 50.42 H new ATOM 0 HA VAL A 40 8.171 -10.240 -23.115 1.00 4.31 H new ATOM 0 HB VAL A 40 10.828 -9.787 -24.536 1.00 54.25 H new ATOM 0 HG11 VAL A 40 11.195 -12.199 -24.225 1.00 22.33 H new ATOM 0 HG12 VAL A 40 11.092 -11.341 -22.670 1.00 22.33 H new ATOM 0 HG13 VAL A 40 9.708 -12.296 -23.252 1.00 22.33 H new ATOM 0 HG21 VAL A 40 9.937 -11.378 -26.189 1.00 31.52 H new ATOM 0 HG22 VAL A 40 8.399 -11.440 -25.295 1.00 31.52 H new ATOM 0 HG23 VAL A 40 8.922 -9.921 -26.061 1.00 31.52 H new ATOM 325 N MET A 41 9.242 -9.796 -20.925 1.00 23.02 N ATOM 326 CA MET A 41 9.848 -9.568 -19.619 1.00 5.22 C ATOM 327 C MET A 41 9.957 -10.871 -18.833 1.00 43.11 C ATOM 328 O MET A 41 9.022 -11.671 -18.809 1.00 4.41 O ATOM 329 CB MET A 41 9.031 -8.546 -18.824 1.00 64.42 C ATOM 330 CG MET A 41 9.127 -8.730 -17.318 1.00 72.15 C ATOM 331 SD MET A 41 7.791 -9.744 -16.656 1.00 12.41 S ATOM 332 CE MET A 41 8.714 -11.122 -15.980 1.00 12.40 C ATOM 0 H MET A 41 8.382 -10.344 -20.901 1.00 23.02 H new ATOM 0 HA MET A 41 10.852 -9.176 -19.778 1.00 5.22 H new ATOM 0 HB2 MET A 41 9.370 -7.543 -19.081 1.00 64.42 H new ATOM 0 HB3 MET A 41 7.986 -8.616 -19.124 1.00 64.42 H new ATOM 0 HG2 MET A 41 10.084 -9.191 -17.072 1.00 72.15 H new ATOM 0 HG3 MET A 41 9.110 -7.753 -16.835 1.00 72.15 H new ATOM 0 HE1 MET A 41 8.299 -11.398 -15.011 1.00 12.40 H new ATOM 0 HE2 MET A 41 8.647 -11.972 -16.659 1.00 12.40 H new ATOM 0 HE3 MET A 41 9.759 -10.836 -15.859 1.00 12.40 H new ATOM 342 N ILE A 42 11.104 -11.077 -18.194 1.00 24.11 N ATOM 343 CA ILE A 42 11.334 -12.283 -17.407 1.00 52.24 C ATOM 344 C ILE A 42 11.982 -11.951 -16.068 1.00 53.43 C ATOM 345 O ILE A 42 12.879 -11.111 -15.992 1.00 41.11 O ATOM 346 CB ILE A 42 12.225 -13.286 -18.163 1.00 4.41 C ATOM 347 CG1 ILE A 42 12.977 -12.582 -19.294 1.00 42.13 C ATOM 348 CG2 ILE A 42 11.388 -14.432 -18.708 1.00 62.24 C ATOM 349 CD1 ILE A 42 12.122 -12.314 -20.514 1.00 21.45 C ATOM 0 H ILE A 42 11.888 -10.425 -18.206 1.00 24.11 H new ATOM 0 HA ILE A 42 10.359 -12.737 -17.232 1.00 52.24 H new ATOM 0 HB ILE A 42 12.956 -13.696 -17.467 1.00 4.41 H new ATOM 0 HG12 ILE A 42 13.373 -11.637 -18.923 1.00 42.13 H new ATOM 0 HG13 ILE A 42 13.832 -13.192 -19.586 1.00 42.13 H new ATOM 0 HG21 ILE A 42 12.032 -15.132 -19.240 1.00 62.24 H new ATOM 0 HG22 ILE A 42 10.895 -14.947 -17.883 1.00 62.24 H new ATOM 0 HG23 ILE A 42 10.636 -14.040 -19.392 1.00 62.24 H new ATOM 0 HD11 ILE A 42 12.721 -11.813 -21.275 1.00 21.45 H new ATOM 0 HD12 ILE A 42 11.747 -13.258 -20.910 1.00 21.45 H new ATOM 0 HD13 ILE A 42 11.281 -11.678 -20.237 1.00 21.45 H new ATOM 361 N PHE A 43 11.523 -12.617 -15.014 1.00 22.03 N ATOM 362 CA PHE A 43 12.059 -12.393 -13.676 1.00 64.43 C ATOM 363 C PHE A 43 12.992 -13.530 -13.267 1.00 2.11 C ATOM 364 O PHE A 43 12.792 -14.680 -13.654 1.00 22.51 O ATOM 365 CB PHE A 43 10.921 -12.263 -12.662 1.00 2.30 C ATOM 366 CG PHE A 43 10.011 -11.097 -12.929 1.00 72.24 C ATOM 367 CD1 PHE A 43 10.492 -9.953 -13.546 1.00 62.21 C ATOM 368 CD2 PHE A 43 8.676 -11.146 -12.564 1.00 55.32 C ATOM 369 CE1 PHE A 43 9.658 -8.880 -13.793 1.00 75.01 C ATOM 370 CE2 PHE A 43 7.836 -10.076 -12.809 1.00 51.30 C ATOM 371 CZ PHE A 43 8.327 -8.941 -13.425 1.00 21.32 C ATOM 0 H PHE A 43 10.782 -13.316 -15.060 1.00 22.03 H new ATOM 0 HA PHE A 43 12.630 -11.465 -13.691 1.00 64.43 H new ATOM 0 HB2 PHE A 43 10.333 -13.181 -12.667 1.00 2.30 H new ATOM 0 HB3 PHE A 43 11.345 -12.162 -11.663 1.00 2.30 H new ATOM 0 HD1 PHE A 43 11.531 -9.900 -13.837 1.00 62.21 H new ATOM 0 HD2 PHE A 43 8.287 -12.031 -12.082 1.00 55.32 H new ATOM 0 HE1 PHE A 43 10.046 -7.994 -14.273 1.00 75.01 H new ATOM 0 HE2 PHE A 43 6.797 -10.127 -12.519 1.00 51.30 H new ATOM 0 HZ PHE A 43 7.673 -8.104 -13.618 1.00 21.32 H new ATOM 381 N SER A 44 14.011 -13.197 -12.481 1.00 52.35 N ATOM 382 CA SER A 44 14.978 -14.188 -12.023 1.00 72.41 C ATOM 383 C SER A 44 15.613 -13.758 -10.704 1.00 31.10 C ATOM 384 O SER A 44 15.119 -12.854 -10.028 1.00 73.55 O ATOM 385 CB SER A 44 16.063 -14.400 -13.079 1.00 63.12 C ATOM 386 OG SER A 44 16.270 -15.780 -13.329 1.00 4.21 O ATOM 0 H SER A 44 14.188 -12.249 -12.148 1.00 52.35 H new ATOM 0 HA SER A 44 14.449 -15.128 -11.863 1.00 72.41 H new ATOM 0 HB2 SER A 44 15.777 -13.899 -14.004 1.00 63.12 H new ATOM 0 HB3 SER A 44 16.995 -13.944 -12.744 1.00 63.12 H new ATOM 0 HG SER A 44 15.466 -16.282 -13.079 1.00 4.21 H new ATOM 392 N LYS A 45 16.710 -14.412 -10.342 1.00 25.41 N ATOM 393 CA LYS A 45 17.416 -14.098 -9.105 1.00 62.32 C ATOM 394 C LYS A 45 18.923 -14.263 -9.281 1.00 54.33 C ATOM 395 O LYS A 45 19.407 -14.478 -10.391 1.00 50.24 O ATOM 396 CB LYS A 45 16.923 -15.000 -7.971 1.00 4.53 C ATOM 397 CG LYS A 45 15.696 -14.462 -7.256 1.00 60.10 C ATOM 398 CD LYS A 45 15.773 -14.704 -5.758 1.00 33.42 C ATOM 399 CE LYS A 45 14.747 -15.734 -5.307 1.00 63.45 C ATOM 400 NZ LYS A 45 15.212 -16.494 -4.114 1.00 23.22 N ATOM 0 H LYS A 45 17.131 -15.164 -10.888 1.00 25.41 H new ATOM 0 HA LYS A 45 17.210 -13.058 -8.851 1.00 62.32 H new ATOM 0 HB2 LYS A 45 16.694 -15.986 -8.376 1.00 4.53 H new ATOM 0 HB3 LYS A 45 17.727 -15.131 -7.247 1.00 4.53 H new ATOM 0 HG2 LYS A 45 15.601 -13.393 -7.448 1.00 60.10 H new ATOM 0 HG3 LYS A 45 14.802 -14.939 -7.657 1.00 60.10 H new ATOM 0 HD2 LYS A 45 16.774 -15.046 -5.494 1.00 33.42 H new ATOM 0 HD3 LYS A 45 15.607 -13.766 -5.228 1.00 33.42 H new ATOM 0 HE2 LYS A 45 13.807 -15.233 -5.075 1.00 63.45 H new ATOM 0 HE3 LYS A 45 14.545 -16.427 -6.123 1.00 63.45 H new ATOM 0 HZ1 LYS A 45 14.392 -16.898 -3.618 1.00 23.22 H new ATOM 0 HZ2 LYS A 45 15.846 -17.261 -4.416 1.00 23.22 H new ATOM 0 HZ3 LYS A 45 15.724 -15.855 -3.473 1.00 23.22 H new ATOM 414 N SER A 46 19.658 -14.161 -8.178 1.00 12.43 N ATOM 415 CA SER A 46 21.109 -14.295 -8.211 1.00 63.23 C ATOM 416 C SER A 46 21.517 -15.764 -8.261 1.00 52.10 C ATOM 417 O SER A 46 22.323 -16.168 -9.099 1.00 44.32 O ATOM 418 CB SER A 46 21.733 -13.621 -6.988 1.00 10.15 C ATOM 419 OG SER A 46 23.059 -13.202 -7.258 1.00 24.22 O ATOM 0 H SER A 46 19.272 -13.986 -7.250 1.00 12.43 H new ATOM 0 HA SER A 46 21.475 -13.803 -9.113 1.00 63.23 H new ATOM 0 HB2 SER A 46 21.129 -12.762 -6.695 1.00 10.15 H new ATOM 0 HB3 SER A 46 21.731 -14.314 -6.147 1.00 10.15 H new ATOM 0 HG SER A 46 23.435 -12.773 -6.461 1.00 24.22 H new ATOM 425 N TYR A 47 20.954 -16.558 -7.357 1.00 23.12 N ATOM 426 CA TYR A 47 21.261 -17.982 -7.295 1.00 73.21 C ATOM 427 C TYR A 47 19.985 -18.817 -7.342 1.00 71.01 C ATOM 428 O TYR A 47 19.615 -19.461 -6.360 1.00 73.51 O ATOM 429 CB TYR A 47 22.045 -18.301 -6.021 1.00 33.53 C ATOM 430 CG TYR A 47 21.719 -17.386 -4.863 1.00 54.53 C ATOM 431 CD1 TYR A 47 20.560 -17.562 -4.118 1.00 35.54 C ATOM 432 CD2 TYR A 47 22.568 -16.344 -4.515 1.00 5.23 C ATOM 433 CE1 TYR A 47 20.257 -16.728 -3.060 1.00 15.14 C ATOM 434 CE2 TYR A 47 22.274 -15.505 -3.457 1.00 63.22 C ATOM 435 CZ TYR A 47 21.117 -15.700 -2.733 1.00 45.01 C ATOM 436 OH TYR A 47 20.820 -14.867 -1.679 1.00 31.40 O ATOM 0 H TYR A 47 20.283 -16.240 -6.658 1.00 23.12 H new ATOM 0 HA TYR A 47 21.871 -18.234 -8.162 1.00 73.21 H new ATOM 0 HB2 TYR A 47 21.841 -19.331 -5.728 1.00 33.53 H new ATOM 0 HB3 TYR A 47 23.112 -18.236 -6.235 1.00 33.53 H new ATOM 0 HD1 TYR A 47 19.884 -18.365 -4.371 1.00 35.54 H new ATOM 0 HD2 TYR A 47 23.474 -16.186 -5.081 1.00 5.23 H new ATOM 0 HE1 TYR A 47 19.351 -16.880 -2.491 1.00 15.14 H new ATOM 0 HE2 TYR A 47 22.947 -14.701 -3.199 1.00 63.22 H new ATOM 0 HH TYR A 47 21.529 -14.197 -1.582 1.00 31.40 H new ATOM 446 N CYS A 48 19.317 -18.800 -8.490 1.00 61.34 N ATOM 447 CA CYS A 48 18.081 -19.555 -8.668 1.00 3.25 C ATOM 448 C CYS A 48 17.984 -20.113 -10.084 1.00 44.34 C ATOM 449 O CYS A 48 17.590 -19.422 -11.024 1.00 1.22 O ATOM 450 CB CYS A 48 16.871 -18.668 -8.372 1.00 30.45 C ATOM 451 SG CYS A 48 16.764 -18.115 -6.653 1.00 1.11 S ATOM 0 H CYS A 48 19.610 -18.272 -9.312 1.00 61.34 H new ATOM 0 HA CYS A 48 18.090 -20.390 -7.968 1.00 3.25 H new ATOM 0 HB2 CYS A 48 16.907 -17.794 -9.022 1.00 30.45 H new ATOM 0 HB3 CYS A 48 15.963 -19.215 -8.624 1.00 30.45 H new ATOM 0 HG CYS A 48 17.754 -18.614 -5.974 1.00 1.11 H new ATOM 457 N PRO A 49 18.352 -21.392 -10.242 1.00 65.42 N ATOM 458 CA PRO A 49 18.317 -22.072 -11.541 1.00 52.20 C ATOM 459 C PRO A 49 16.892 -22.320 -12.026 1.00 42.22 C ATOM 460 O PRO A 49 15.931 -22.148 -11.275 1.00 62.24 O ATOM 461 CB PRO A 49 19.027 -23.399 -11.267 1.00 72.12 C ATOM 462 CG PRO A 49 18.839 -23.636 -9.808 1.00 12.34 C ATOM 463 CD PRO A 49 18.832 -22.275 -9.166 1.00 64.15 C ATOM 0 HA PRO A 49 18.785 -21.477 -12.325 1.00 52.20 H new ATOM 0 HB2 PRO A 49 18.597 -24.207 -11.858 1.00 72.12 H new ATOM 0 HB3 PRO A 49 20.084 -23.343 -11.526 1.00 72.12 H new ATOM 0 HG2 PRO A 49 17.905 -24.163 -9.615 1.00 12.34 H new ATOM 0 HG3 PRO A 49 19.642 -24.253 -9.406 1.00 12.34 H new ATOM 0 HD2 PRO A 49 18.174 -22.244 -8.297 1.00 64.15 H new ATOM 0 HD3 PRO A 49 19.826 -21.987 -8.824 1.00 64.15 H new ATOM 471 N HIS A 50 16.762 -22.723 -13.286 1.00 64.25 N ATOM 472 CA HIS A 50 15.455 -22.996 -13.871 1.00 61.42 C ATOM 473 C HIS A 50 14.743 -21.698 -14.240 1.00 63.21 C ATOM 474 O HIS A 50 14.261 -21.540 -15.362 1.00 35.21 O ATOM 475 CB HIS A 50 14.596 -23.802 -12.897 1.00 74.53 C ATOM 476 CG HIS A 50 15.344 -24.898 -12.202 1.00 3.12 C ATOM 477 ND1 HIS A 50 15.113 -25.253 -10.891 1.00 31.31 N ATOM 478 CD2 HIS A 50 16.326 -25.718 -12.645 1.00 13.12 C ATOM 479 CE1 HIS A 50 15.920 -26.244 -10.556 1.00 70.21 C ATOM 480 NE2 HIS A 50 16.666 -26.546 -11.603 1.00 33.10 N ATOM 0 H HIS A 50 17.547 -22.868 -13.921 1.00 64.25 H new ATOM 0 HA HIS A 50 15.606 -23.579 -14.780 1.00 61.42 H new ATOM 0 HB2 HIS A 50 14.179 -23.127 -12.149 1.00 74.53 H new ATOM 0 HB3 HIS A 50 13.755 -24.235 -13.440 1.00 74.53 H new ATOM 0 HD2 HIS A 50 16.761 -25.721 -13.634 1.00 13.12 H new ATOM 0 HE1 HIS A 50 15.962 -26.725 -9.590 1.00 70.21 H new ATOM 0 HE2 HIS A 50 17.379 -27.275 -11.633 1.00 33.10 H new ATOM 488 N SER A 51 14.682 -20.771 -13.289 1.00 71.52 N ATOM 489 CA SER A 51 14.026 -19.488 -13.514 1.00 32.34 C ATOM 490 C SER A 51 14.887 -18.583 -14.390 1.00 74.51 C ATOM 491 O SER A 51 14.377 -17.702 -15.082 1.00 32.11 O ATOM 492 CB SER A 51 13.737 -18.800 -12.179 1.00 12.32 C ATOM 493 OG SER A 51 13.732 -17.390 -12.323 1.00 1.45 O ATOM 0 H SER A 51 15.079 -20.884 -12.356 1.00 71.52 H new ATOM 0 HA SER A 51 13.085 -19.674 -14.031 1.00 32.34 H new ATOM 0 HB2 SER A 51 12.772 -19.133 -11.796 1.00 12.32 H new ATOM 0 HB3 SER A 51 14.489 -19.091 -11.446 1.00 12.32 H new ATOM 0 HG SER A 51 12.872 -17.102 -12.696 1.00 1.45 H new ATOM 499 N THR A 52 16.196 -18.808 -14.354 1.00 3.22 N ATOM 500 CA THR A 52 17.130 -18.014 -15.143 1.00 62.23 C ATOM 501 C THR A 52 17.269 -18.571 -16.555 1.00 24.11 C ATOM 502 O THR A 52 17.243 -17.823 -17.533 1.00 20.43 O ATOM 503 CB THR A 52 18.521 -17.963 -14.483 1.00 45.32 C ATOM 504 OG1 THR A 52 18.476 -17.151 -13.305 1.00 54.20 O ATOM 505 CG2 THR A 52 19.558 -17.407 -15.449 1.00 75.40 C ATOM 0 H THR A 52 16.634 -19.534 -13.787 1.00 3.22 H new ATOM 0 HA THR A 52 16.723 -17.004 -15.193 1.00 62.23 H new ATOM 0 HB THR A 52 18.807 -18.979 -14.212 1.00 45.32 H new ATOM 0 HG1 THR A 52 17.581 -16.762 -13.210 1.00 54.20 H new ATOM 0 HG21 THR A 52 20.532 -17.380 -14.961 1.00 75.40 H new ATOM 0 HG22 THR A 52 19.612 -18.044 -16.332 1.00 75.40 H new ATOM 0 HG23 THR A 52 19.274 -16.398 -15.747 1.00 75.40 H new ATOM 513 N ARG A 53 17.417 -19.888 -16.655 1.00 44.41 N ATOM 514 CA ARG A 53 17.561 -20.545 -17.949 1.00 11.23 C ATOM 515 C ARG A 53 16.411 -20.170 -18.879 1.00 45.42 C ATOM 516 O ARG A 53 16.624 -19.861 -20.053 1.00 1.13 O ATOM 517 CB ARG A 53 17.612 -22.063 -17.770 1.00 52.44 C ATOM 518 CG ARG A 53 16.794 -22.825 -18.800 1.00 72.23 C ATOM 519 CD ARG A 53 16.944 -24.328 -18.630 1.00 35.22 C ATOM 520 NE ARG A 53 17.922 -24.890 -19.557 1.00 31.14 N ATOM 521 CZ ARG A 53 18.510 -26.067 -19.380 1.00 64.52 C ATOM 522 NH1 ARG A 53 18.221 -26.805 -18.317 1.00 54.41 N ATOM 523 NH2 ARG A 53 19.391 -26.511 -20.269 1.00 14.13 N ATOM 0 H ARG A 53 17.440 -20.521 -15.856 1.00 44.41 H new ATOM 0 HA ARG A 53 18.495 -20.207 -18.399 1.00 11.23 H new ATOM 0 HB2 ARG A 53 18.649 -22.392 -17.826 1.00 52.44 H new ATOM 0 HB3 ARG A 53 17.251 -22.315 -16.773 1.00 52.44 H new ATOM 0 HG2 ARG A 53 15.743 -22.550 -18.707 1.00 72.23 H new ATOM 0 HG3 ARG A 53 17.111 -22.538 -19.803 1.00 72.23 H new ATOM 0 HD2 ARG A 53 17.247 -24.548 -17.606 1.00 35.22 H new ATOM 0 HD3 ARG A 53 15.978 -24.808 -18.787 1.00 35.22 H new ATOM 0 HE ARG A 53 18.167 -24.349 -20.386 1.00 31.14 H new ATOM 0 HH11 ARG A 53 17.545 -26.469 -17.631 1.00 54.41 H new ATOM 0 HH12 ARG A 53 18.675 -27.709 -18.185 1.00 54.41 H new ATOM 0 HH21 ARG A 53 19.616 -25.948 -21.089 1.00 14.13 H new ATOM 0 HH22 ARG A 53 19.842 -27.415 -20.132 1.00 14.13 H new ATOM 537 N VAL A 54 15.193 -20.198 -18.350 1.00 21.25 N ATOM 538 CA VAL A 54 14.011 -19.861 -19.132 1.00 74.25 C ATOM 539 C VAL A 54 14.206 -18.551 -19.885 1.00 50.15 C ATOM 540 O VAL A 54 13.607 -18.332 -20.940 1.00 23.32 O ATOM 541 CB VAL A 54 12.761 -19.745 -18.239 1.00 34.30 C ATOM 542 CG1 VAL A 54 12.828 -18.488 -17.386 1.00 63.13 C ATOM 543 CG2 VAL A 54 11.498 -19.758 -19.087 1.00 31.44 C ATOM 0 H VAL A 54 14.999 -20.451 -17.381 1.00 21.25 H new ATOM 0 HA VAL A 54 13.864 -20.670 -19.847 1.00 74.25 H new ATOM 0 HB VAL A 54 12.732 -20.606 -17.571 1.00 34.30 H new ATOM 0 HG11 VAL A 54 11.936 -18.424 -16.762 1.00 63.13 H new ATOM 0 HG12 VAL A 54 13.713 -18.526 -16.751 1.00 63.13 H new ATOM 0 HG13 VAL A 54 12.882 -17.612 -18.032 1.00 63.13 H new ATOM 0 HG21 VAL A 54 10.625 -19.675 -18.440 1.00 31.44 H new ATOM 0 HG22 VAL A 54 11.517 -18.917 -19.781 1.00 31.44 H new ATOM 0 HG23 VAL A 54 11.446 -20.691 -19.649 1.00 31.44 H new ATOM 553 N LYS A 55 15.048 -17.680 -19.340 1.00 0.24 N ATOM 554 CA LYS A 55 15.325 -16.391 -19.960 1.00 41.42 C ATOM 555 C LYS A 55 16.243 -16.554 -21.168 1.00 52.40 C ATOM 556 O LYS A 55 16.025 -15.938 -22.211 1.00 30.41 O ATOM 557 CB LYS A 55 15.965 -15.440 -18.946 1.00 0.54 C ATOM 558 CG LYS A 55 15.258 -15.419 -17.602 1.00 20.14 C ATOM 559 CD LYS A 55 15.703 -14.239 -16.756 1.00 3.33 C ATOM 560 CE LYS A 55 17.160 -14.368 -16.341 1.00 21.01 C ATOM 561 NZ LYS A 55 18.080 -13.773 -17.351 1.00 20.04 N ATOM 0 H LYS A 55 15.551 -17.844 -18.468 1.00 0.24 H new ATOM 0 HA LYS A 55 14.379 -15.969 -20.298 1.00 41.42 H new ATOM 0 HB2 LYS A 55 17.005 -15.729 -18.796 1.00 0.54 H new ATOM 0 HB3 LYS A 55 15.971 -14.432 -19.360 1.00 0.54 H new ATOM 0 HG2 LYS A 55 14.180 -15.370 -17.758 1.00 20.14 H new ATOM 0 HG3 LYS A 55 15.461 -16.347 -17.068 1.00 20.14 H new ATOM 0 HD2 LYS A 55 15.564 -13.315 -17.317 1.00 3.33 H new ATOM 0 HD3 LYS A 55 15.075 -14.170 -15.867 1.00 3.33 H new ATOM 0 HE2 LYS A 55 17.309 -13.876 -15.380 1.00 21.01 H new ATOM 0 HE3 LYS A 55 17.406 -15.421 -16.201 1.00 21.01 H new ATOM 0 HZ1 LYS A 55 18.810 -13.212 -16.868 1.00 20.04 H new ATOM 0 HZ2 LYS A 55 18.533 -14.533 -17.898 1.00 20.04 H new ATOM 0 HZ3 LYS A 55 17.540 -13.159 -17.993 1.00 20.04 H new ATOM 575 N GLU A 56 17.267 -17.388 -21.019 1.00 54.42 N ATOM 576 CA GLU A 56 18.216 -17.631 -22.100 1.00 31.41 C ATOM 577 C GLU A 56 17.489 -18.001 -23.389 1.00 74.50 C ATOM 578 O GLU A 56 17.938 -17.668 -24.486 1.00 11.40 O ATOM 579 CB GLU A 56 19.189 -18.747 -21.712 1.00 14.33 C ATOM 580 CG GLU A 56 20.020 -18.429 -20.480 1.00 53.10 C ATOM 581 CD GLU A 56 20.889 -19.592 -20.046 1.00 62.52 C ATOM 582 OE1 GLU A 56 21.402 -20.311 -20.930 1.00 50.54 O ATOM 583 OE2 GLU A 56 21.057 -19.785 -18.824 1.00 60.50 O ATOM 0 H GLU A 56 17.461 -17.906 -20.162 1.00 54.42 H new ATOM 0 HA GLU A 56 18.777 -16.712 -22.271 1.00 31.41 H new ATOM 0 HB2 GLU A 56 18.626 -19.663 -21.533 1.00 14.33 H new ATOM 0 HB3 GLU A 56 19.858 -18.942 -22.550 1.00 14.33 H new ATOM 0 HG2 GLU A 56 20.652 -17.565 -20.686 1.00 53.10 H new ATOM 0 HG3 GLU A 56 19.357 -18.151 -19.661 1.00 53.10 H new ATOM 590 N LEU A 57 16.364 -18.693 -23.249 1.00 33.12 N ATOM 591 CA LEU A 57 15.573 -19.110 -24.402 1.00 73.33 C ATOM 592 C LEU A 57 15.308 -17.933 -25.336 1.00 3.22 C ATOM 593 O LEU A 57 15.656 -17.973 -26.516 1.00 13.55 O ATOM 594 CB LEU A 57 14.247 -19.720 -23.943 1.00 31.13 C ATOM 595 CG LEU A 57 14.222 -21.243 -23.801 1.00 45.24 C ATOM 596 CD1 LEU A 57 15.445 -21.728 -23.039 1.00 41.22 C ATOM 597 CD2 LEU A 57 12.945 -21.692 -23.107 1.00 1.34 C ATOM 0 H LEU A 57 15.979 -18.977 -22.348 1.00 33.12 H new ATOM 0 HA LEU A 57 16.142 -19.862 -24.948 1.00 73.33 H new ATOM 0 HB2 LEU A 57 13.982 -19.281 -22.981 1.00 31.13 H new ATOM 0 HB3 LEU A 57 13.471 -19.428 -24.651 1.00 31.13 H new ATOM 0 HG LEU A 57 14.244 -21.683 -24.798 1.00 45.24 H new ATOM 0 HD11 LEU A 57 15.410 -22.814 -22.948 1.00 41.22 H new ATOM 0 HD12 LEU A 57 16.348 -21.438 -23.577 1.00 41.22 H new ATOM 0 HD13 LEU A 57 15.456 -21.281 -22.045 1.00 41.22 H new ATOM 0 HD21 LEU A 57 12.944 -22.778 -23.014 1.00 1.34 H new ATOM 0 HD22 LEU A 57 12.893 -21.243 -22.115 1.00 1.34 H new ATOM 0 HD23 LEU A 57 12.082 -21.377 -23.694 1.00 1.34 H new ATOM 609 N PHE A 58 14.693 -16.885 -24.797 1.00 74.34 N ATOM 610 CA PHE A 58 14.382 -15.696 -25.582 1.00 4.31 C ATOM 611 C PHE A 58 15.617 -15.200 -26.330 1.00 60.43 C ATOM 612 O PHE A 58 15.561 -14.927 -27.530 1.00 23.25 O ATOM 613 CB PHE A 58 13.844 -14.587 -24.675 1.00 75.44 C ATOM 614 CG PHE A 58 12.553 -14.945 -23.995 1.00 14.23 C ATOM 615 CD1 PHE A 58 12.556 -15.607 -22.778 1.00 63.42 C ATOM 616 CD2 PHE A 58 11.336 -14.618 -24.573 1.00 4.33 C ATOM 617 CE1 PHE A 58 11.370 -15.937 -22.149 1.00 2.22 C ATOM 618 CE2 PHE A 58 10.147 -14.944 -23.949 1.00 22.12 C ATOM 619 CZ PHE A 58 10.165 -15.605 -22.736 1.00 34.54 C ATOM 0 H PHE A 58 14.401 -16.835 -23.821 1.00 74.34 H new ATOM 0 HA PHE A 58 13.618 -15.963 -26.312 1.00 4.31 H new ATOM 0 HB2 PHE A 58 14.592 -14.353 -23.918 1.00 75.44 H new ATOM 0 HB3 PHE A 58 13.696 -13.684 -25.267 1.00 75.44 H new ATOM 0 HD1 PHE A 58 13.496 -15.868 -22.315 1.00 63.42 H new ATOM 0 HD2 PHE A 58 11.317 -14.103 -25.522 1.00 4.33 H new ATOM 0 HE1 PHE A 58 11.386 -16.453 -21.201 1.00 2.22 H new ATOM 0 HE2 PHE A 58 9.205 -14.683 -24.409 1.00 22.12 H new ATOM 0 HZ PHE A 58 9.237 -15.862 -22.247 1.00 34.54 H new ATOM 629 N SER A 59 16.730 -15.086 -25.613 1.00 64.40 N ATOM 630 CA SER A 59 17.978 -14.620 -26.207 1.00 21.20 C ATOM 631 C SER A 59 18.329 -15.440 -27.445 1.00 4.11 C ATOM 632 O SER A 59 18.648 -14.888 -28.498 1.00 40.32 O ATOM 633 CB SER A 59 19.115 -14.703 -25.187 1.00 14.23 C ATOM 634 OG SER A 59 20.088 -13.701 -25.426 1.00 11.41 O ATOM 0 H SER A 59 16.793 -15.310 -24.620 1.00 64.40 H new ATOM 0 HA SER A 59 17.844 -13.581 -26.507 1.00 21.20 H new ATOM 0 HB2 SER A 59 18.713 -14.591 -24.180 1.00 14.23 H new ATOM 0 HB3 SER A 59 19.582 -15.687 -25.237 1.00 14.23 H new ATOM 0 HG SER A 59 20.803 -13.774 -24.760 1.00 11.41 H new ATOM 640 N SER A 60 18.271 -16.760 -27.309 1.00 25.24 N ATOM 641 CA SER A 60 18.587 -17.658 -28.414 1.00 34.13 C ATOM 642 C SER A 60 17.439 -17.708 -29.418 1.00 44.12 C ATOM 643 O SER A 60 17.551 -18.330 -30.476 1.00 31.43 O ATOM 644 CB SER A 60 18.882 -19.064 -27.889 1.00 62.43 C ATOM 645 OG SER A 60 20.112 -19.098 -27.187 1.00 25.50 O ATOM 0 H SER A 60 18.008 -17.232 -26.444 1.00 25.24 H new ATOM 0 HA SER A 60 19.473 -17.274 -28.920 1.00 34.13 H new ATOM 0 HB2 SER A 60 18.075 -19.387 -27.231 1.00 62.43 H new ATOM 0 HB3 SER A 60 18.915 -19.767 -28.721 1.00 62.43 H new ATOM 0 HG SER A 60 20.277 -20.007 -26.860 1.00 25.50 H new ATOM 651 N LEU A 61 16.337 -17.049 -29.080 1.00 53.33 N ATOM 652 CA LEU A 61 15.167 -17.017 -29.951 1.00 40.00 C ATOM 653 C LEU A 61 15.224 -15.821 -30.895 1.00 54.54 C ATOM 654 O LEU A 61 14.236 -15.485 -31.548 1.00 74.11 O ATOM 655 CB LEU A 61 13.886 -16.963 -29.116 1.00 43.21 C ATOM 656 CG LEU A 61 12.732 -17.840 -29.599 1.00 14.20 C ATOM 657 CD1 LEU A 61 12.585 -17.745 -31.110 1.00 70.14 C ATOM 658 CD2 LEU A 61 12.944 -19.285 -29.172 1.00 51.02 C ATOM 0 H LEU A 61 16.229 -16.529 -28.209 1.00 53.33 H new ATOM 0 HA LEU A 61 15.165 -17.928 -30.549 1.00 40.00 H new ATOM 0 HB2 LEU A 61 14.131 -17.250 -28.093 1.00 43.21 H new ATOM 0 HB3 LEU A 61 13.541 -15.930 -29.083 1.00 43.21 H new ATOM 0 HG LEU A 61 11.811 -17.479 -29.141 1.00 14.20 H new ATOM 0 HD11 LEU A 61 11.758 -18.376 -31.436 1.00 70.14 H new ATOM 0 HD12 LEU A 61 12.385 -16.711 -31.392 1.00 70.14 H new ATOM 0 HD13 LEU A 61 13.506 -18.079 -31.587 1.00 70.14 H new ATOM 0 HD21 LEU A 61 12.112 -19.894 -29.525 1.00 51.02 H new ATOM 0 HD22 LEU A 61 13.874 -19.658 -29.600 1.00 51.02 H new ATOM 0 HD23 LEU A 61 12.998 -19.339 -28.085 1.00 51.02 H new ATOM 670 N GLY A 62 16.387 -15.181 -30.964 1.00 21.40 N ATOM 671 CA GLY A 62 16.551 -14.031 -31.832 1.00 64.44 C ATOM 672 C GLY A 62 15.683 -12.861 -31.416 1.00 34.22 C ATOM 673 O GLY A 62 15.552 -11.882 -32.151 1.00 23.11 O ATOM 0 H GLY A 62 17.219 -15.439 -30.433 1.00 21.40 H new ATOM 0 HA2 GLY A 62 17.597 -13.723 -31.828 1.00 64.44 H new ATOM 0 HA3 GLY A 62 16.306 -14.315 -32.856 1.00 64.44 H new ATOM 677 N VAL A 63 15.084 -12.962 -30.234 1.00 2.14 N ATOM 678 CA VAL A 63 14.222 -11.904 -29.720 1.00 21.41 C ATOM 679 C VAL A 63 14.821 -11.263 -28.473 1.00 64.43 C ATOM 680 O VAL A 63 15.429 -11.941 -27.645 1.00 21.15 O ATOM 681 CB VAL A 63 12.817 -12.439 -29.383 1.00 44.54 C ATOM 682 CG1 VAL A 63 12.791 -13.027 -27.982 1.00 21.43 C ATOM 683 CG2 VAL A 63 11.780 -11.335 -29.527 1.00 33.32 C ATOM 0 H VAL A 63 15.180 -13.766 -29.614 1.00 2.14 H new ATOM 0 HA VAL A 63 14.139 -11.154 -30.507 1.00 21.41 H new ATOM 0 HB VAL A 63 12.570 -13.233 -30.088 1.00 44.54 H new ATOM 0 HG11 VAL A 63 11.790 -13.400 -27.762 1.00 21.43 H new ATOM 0 HG12 VAL A 63 13.506 -13.847 -27.918 1.00 21.43 H new ATOM 0 HG13 VAL A 63 13.058 -12.256 -27.259 1.00 21.43 H new ATOM 0 HG21 VAL A 63 10.793 -11.729 -29.285 1.00 33.32 H new ATOM 0 HG22 VAL A 63 12.021 -10.518 -28.846 1.00 33.32 H new ATOM 0 HG23 VAL A 63 11.782 -10.965 -30.552 1.00 33.32 H new ATOM 693 N VAL A 64 14.647 -9.951 -28.347 1.00 63.15 N ATOM 694 CA VAL A 64 15.169 -9.218 -27.200 1.00 45.13 C ATOM 695 C VAL A 64 14.165 -9.202 -26.054 1.00 65.20 C ATOM 696 O VAL A 64 12.954 -9.203 -26.275 1.00 74.44 O ATOM 697 CB VAL A 64 15.524 -7.767 -27.577 1.00 52.13 C ATOM 698 CG1 VAL A 64 14.327 -7.070 -28.206 1.00 63.44 C ATOM 699 CG2 VAL A 64 16.014 -7.004 -26.355 1.00 35.52 C ATOM 0 H VAL A 64 14.149 -9.374 -29.025 1.00 63.15 H new ATOM 0 HA VAL A 64 16.073 -9.735 -26.879 1.00 45.13 H new ATOM 0 HB VAL A 64 16.329 -7.788 -28.311 1.00 52.13 H new ATOM 0 HG11 VAL A 64 14.597 -6.046 -28.466 1.00 63.44 H new ATOM 0 HG12 VAL A 64 14.026 -7.605 -29.107 1.00 63.44 H new ATOM 0 HG13 VAL A 64 13.499 -7.058 -27.497 1.00 63.44 H new ATOM 0 HG21 VAL A 64 16.260 -5.981 -26.639 1.00 35.52 H new ATOM 0 HG22 VAL A 64 15.232 -6.991 -25.596 1.00 35.52 H new ATOM 0 HG23 VAL A 64 16.902 -7.492 -25.953 1.00 35.52 H new ATOM 709 N TYR A 65 14.676 -9.188 -24.827 1.00 55.23 N ATOM 710 CA TYR A 65 13.824 -9.174 -23.645 1.00 15.24 C ATOM 711 C TYR A 65 14.489 -8.412 -22.503 1.00 34.42 C ATOM 712 O TYR A 65 15.634 -7.975 -22.617 1.00 75.20 O ATOM 713 CB TYR A 65 13.507 -10.603 -23.203 1.00 31.22 C ATOM 714 CG TYR A 65 14.729 -11.397 -22.798 1.00 15.24 C ATOM 715 CD1 TYR A 65 15.530 -12.012 -23.751 1.00 54.05 C ATOM 716 CD2 TYR A 65 15.081 -11.533 -21.461 1.00 23.34 C ATOM 717 CE1 TYR A 65 16.646 -12.739 -23.387 1.00 4.35 C ATOM 718 CE2 TYR A 65 16.197 -12.256 -21.086 1.00 10.24 C ATOM 719 CZ TYR A 65 16.976 -12.857 -22.053 1.00 22.34 C ATOM 720 OH TYR A 65 18.088 -13.580 -21.684 1.00 34.10 O ATOM 0 H TYR A 65 15.676 -9.186 -24.626 1.00 55.23 H new ATOM 0 HA TYR A 65 12.895 -8.666 -23.904 1.00 15.24 H new ATOM 0 HB2 TYR A 65 12.812 -10.569 -22.364 1.00 31.22 H new ATOM 0 HB3 TYR A 65 13.000 -11.122 -24.016 1.00 31.22 H new ATOM 0 HD1 TYR A 65 15.275 -11.920 -24.797 1.00 54.05 H new ATOM 0 HD2 TYR A 65 14.472 -11.065 -20.702 1.00 23.34 H new ATOM 0 HE1 TYR A 65 17.256 -13.212 -24.142 1.00 4.35 H new ATOM 0 HE2 TYR A 65 16.458 -12.350 -20.042 1.00 10.24 H new ATOM 0 HH TYR A 65 18.180 -13.564 -20.708 1.00 34.10 H new ATOM 730 N ASN A 66 13.762 -8.257 -21.401 1.00 20.32 N ATOM 731 CA ASN A 66 14.280 -7.548 -20.237 1.00 2.33 C ATOM 732 C ASN A 66 14.598 -8.520 -19.105 1.00 33.41 C ATOM 733 O ASN A 66 13.795 -9.395 -18.782 1.00 35.40 O ATOM 734 CB ASN A 66 13.270 -6.503 -19.759 1.00 3.23 C ATOM 735 CG ASN A 66 13.884 -5.122 -19.632 1.00 5.41 C ATOM 736 OD1 ASN A 66 14.094 -4.622 -18.527 1.00 51.10 O ATOM 737 ND2 ASN A 66 14.174 -4.497 -20.767 1.00 62.14 N ATOM 0 H ASN A 66 12.813 -8.613 -21.290 1.00 20.32 H new ATOM 0 HA ASN A 66 15.202 -7.045 -20.530 1.00 2.33 H new ATOM 0 HB2 ASN A 66 12.434 -6.463 -20.457 1.00 3.23 H new ATOM 0 HB3 ASN A 66 12.865 -6.808 -18.794 1.00 3.23 H new ATOM 0 HD21 ASN A 66 14.588 -3.565 -20.745 1.00 62.14 H new ATOM 0 HD22 ASN A 66 13.983 -4.949 -21.661 1.00 62.14 H new ATOM 744 N ILE A 67 15.772 -8.358 -18.505 1.00 73.22 N ATOM 745 CA ILE A 67 16.194 -9.221 -17.408 1.00 4.21 C ATOM 746 C ILE A 67 16.118 -8.487 -16.073 1.00 22.41 C ATOM 747 O ILE A 67 16.806 -7.488 -15.861 1.00 62.21 O ATOM 748 CB ILE A 67 17.631 -9.736 -17.617 1.00 14.12 C ATOM 749 CG1 ILE A 67 17.776 -10.352 -19.010 1.00 5.11 C ATOM 750 CG2 ILE A 67 17.991 -10.751 -16.543 1.00 13.55 C ATOM 751 CD1 ILE A 67 18.807 -9.658 -19.873 1.00 21.33 C ATOM 0 H ILE A 67 16.448 -7.638 -18.759 1.00 73.22 H new ATOM 0 HA ILE A 67 15.511 -10.071 -17.393 1.00 4.21 H new ATOM 0 HB ILE A 67 18.319 -8.894 -17.538 1.00 14.12 H new ATOM 0 HG12 ILE A 67 18.048 -11.403 -18.907 1.00 5.11 H new ATOM 0 HG13 ILE A 67 16.810 -10.320 -19.515 1.00 5.11 H new ATOM 0 HG21 ILE A 67 19.009 -11.106 -16.704 1.00 13.55 H new ATOM 0 HG22 ILE A 67 17.921 -10.282 -15.561 1.00 13.55 H new ATOM 0 HG23 ILE A 67 17.301 -11.594 -16.593 1.00 13.55 H new ATOM 0 HD11 ILE A 67 18.856 -10.148 -20.846 1.00 21.33 H new ATOM 0 HD12 ILE A 67 18.526 -8.613 -20.006 1.00 21.33 H new ATOM 0 HD13 ILE A 67 19.782 -9.713 -19.390 1.00 21.33 H new ATOM 763 N LEU A 68 15.280 -8.991 -15.174 1.00 30.44 N ATOM 764 CA LEU A 68 15.115 -8.387 -13.857 1.00 54.53 C ATOM 765 C LEU A 68 15.289 -9.426 -12.754 1.00 55.32 C ATOM 766 O LEU A 68 14.657 -10.482 -12.780 1.00 71.43 O ATOM 767 CB LEU A 68 13.737 -7.731 -13.744 1.00 43.10 C ATOM 768 CG LEU A 68 13.219 -7.037 -15.004 1.00 31.13 C ATOM 769 CD1 LEU A 68 12.330 -7.978 -15.804 1.00 14.25 C ATOM 770 CD2 LEU A 68 12.464 -5.766 -14.641 1.00 75.51 C ATOM 0 H LEU A 68 14.704 -9.817 -15.333 1.00 30.44 H new ATOM 0 HA LEU A 68 15.885 -7.625 -13.736 1.00 54.53 H new ATOM 0 HB2 LEU A 68 13.016 -8.494 -13.451 1.00 43.10 H new ATOM 0 HB3 LEU A 68 13.770 -6.998 -12.938 1.00 43.10 H new ATOM 0 HG LEU A 68 14.074 -6.763 -15.623 1.00 31.13 H new ATOM 0 HD11 LEU A 68 11.970 -7.467 -16.697 1.00 14.25 H new ATOM 0 HD12 LEU A 68 12.902 -8.859 -16.095 1.00 14.25 H new ATOM 0 HD13 LEU A 68 11.480 -8.283 -15.193 1.00 14.25 H new ATOM 0 HD21 LEU A 68 12.103 -5.285 -15.550 1.00 75.51 H new ATOM 0 HD22 LEU A 68 11.617 -6.016 -14.001 1.00 75.51 H new ATOM 0 HD23 LEU A 68 13.131 -5.086 -14.111 1.00 75.51 H new ATOM 782 N GLU A 69 16.146 -9.118 -11.787 1.00 1.15 N ATOM 783 CA GLU A 69 16.400 -10.025 -10.674 1.00 62.41 C ATOM 784 C GLU A 69 15.904 -9.429 -9.361 1.00 34.14 C ATOM 785 O GLU A 69 16.296 -8.325 -8.979 1.00 33.10 O ATOM 786 CB GLU A 69 17.896 -10.337 -10.573 1.00 35.22 C ATOM 787 CG GLU A 69 18.477 -10.949 -11.836 1.00 35.25 C ATOM 788 CD GLU A 69 19.989 -11.050 -11.793 1.00 12.20 C ATOM 789 OE1 GLU A 69 20.641 -10.032 -11.476 1.00 43.04 O ATOM 790 OE2 GLU A 69 20.520 -12.143 -12.076 1.00 32.21 O ATOM 0 H GLU A 69 16.676 -8.247 -11.751 1.00 1.15 H new ATOM 0 HA GLU A 69 15.854 -10.950 -10.861 1.00 62.41 H new ATOM 0 HB2 GLU A 69 18.435 -9.418 -10.343 1.00 35.22 H new ATOM 0 HB3 GLU A 69 18.061 -11.020 -9.740 1.00 35.22 H new ATOM 0 HG2 GLU A 69 18.054 -11.943 -11.981 1.00 35.25 H new ATOM 0 HG3 GLU A 69 18.181 -10.348 -12.696 1.00 35.25 H new ATOM 797 N LEU A 70 15.038 -10.167 -8.673 1.00 53.35 N ATOM 798 CA LEU A 70 14.486 -9.711 -7.402 1.00 31.11 C ATOM 799 C LEU A 70 15.504 -9.873 -6.277 1.00 35.31 C ATOM 800 O LEU A 70 15.302 -9.378 -5.168 1.00 72.23 O ATOM 801 CB LEU A 70 13.212 -10.489 -7.070 1.00 31.35 C ATOM 802 CG LEU A 70 12.419 -11.023 -8.264 1.00 11.43 C ATOM 803 CD1 LEU A 70 12.715 -12.498 -8.485 1.00 4.21 C ATOM 804 CD2 LEU A 70 10.929 -10.802 -8.055 1.00 15.32 C ATOM 0 H LEU A 70 14.704 -11.082 -8.974 1.00 53.35 H new ATOM 0 HA LEU A 70 14.244 -8.653 -7.497 1.00 31.11 H new ATOM 0 HB2 LEU A 70 13.481 -11.331 -6.432 1.00 31.35 H new ATOM 0 HB3 LEU A 70 12.558 -9.842 -6.485 1.00 31.35 H new ATOM 0 HG LEU A 70 12.726 -10.475 -9.155 1.00 11.43 H new ATOM 0 HD11 LEU A 70 12.142 -12.860 -9.338 1.00 4.21 H new ATOM 0 HD12 LEU A 70 13.779 -12.630 -8.680 1.00 4.21 H new ATOM 0 HD13 LEU A 70 12.436 -13.062 -7.595 1.00 4.21 H new ATOM 0 HD21 LEU A 70 10.380 -11.188 -8.914 1.00 15.32 H new ATOM 0 HD22 LEU A 70 10.607 -11.324 -7.154 1.00 15.32 H new ATOM 0 HD23 LEU A 70 10.731 -9.736 -7.947 1.00 15.32 H new ATOM 816 N ASP A 71 16.597 -10.568 -6.571 1.00 72.15 N ATOM 817 CA ASP A 71 17.647 -10.793 -5.586 1.00 24.55 C ATOM 818 C ASP A 71 18.655 -9.647 -5.594 1.00 60.22 C ATOM 819 O ASP A 71 19.583 -9.619 -4.786 1.00 14.21 O ATOM 820 CB ASP A 71 18.361 -12.117 -5.863 1.00 24.31 C ATOM 821 CG ASP A 71 18.670 -12.885 -4.593 1.00 44.11 C ATOM 822 OD1 ASP A 71 18.721 -12.255 -3.515 1.00 61.25 O ATOM 823 OD2 ASP A 71 18.861 -14.117 -4.676 1.00 1.44 O ATOM 0 H ASP A 71 16.779 -10.985 -7.484 1.00 72.15 H new ATOM 0 HA ASP A 71 17.182 -10.838 -4.601 1.00 24.55 H new ATOM 0 HB2 ASP A 71 17.740 -12.732 -6.514 1.00 24.31 H new ATOM 0 HB3 ASP A 71 19.289 -11.921 -6.400 1.00 24.31 H new ATOM 828 N GLN A 72 18.465 -8.706 -6.513 1.00 41.24 N ATOM 829 CA GLN A 72 19.358 -7.559 -6.628 1.00 2.10 C ATOM 830 C GLN A 72 18.616 -6.260 -6.331 1.00 73.04 C ATOM 831 O GLN A 72 19.226 -5.252 -5.976 1.00 41.43 O ATOM 832 CB GLN A 72 19.973 -7.502 -8.027 1.00 12.21 C ATOM 833 CG GLN A 72 20.892 -8.672 -8.337 1.00 31.11 C ATOM 834 CD GLN A 72 21.951 -8.327 -9.365 1.00 54.50 C ATOM 835 OE1 GLN A 72 21.977 -7.217 -9.898 1.00 35.13 O ATOM 836 NE2 GLN A 72 22.832 -9.278 -9.649 1.00 65.31 N ATOM 0 H GLN A 72 17.701 -8.715 -7.189 1.00 41.24 H new ATOM 0 HA GLN A 72 20.155 -7.676 -5.894 1.00 2.10 H new ATOM 0 HB2 GLN A 72 19.172 -7.475 -8.766 1.00 12.21 H new ATOM 0 HB3 GLN A 72 20.534 -6.573 -8.130 1.00 12.21 H new ATOM 0 HG2 GLN A 72 21.377 -9.001 -7.418 1.00 31.11 H new ATOM 0 HG3 GLN A 72 20.297 -9.510 -8.701 1.00 31.11 H new ATOM 0 HE21 GLN A 72 22.773 -10.183 -9.183 1.00 65.31 H new ATOM 0 HE22 GLN A 72 23.568 -9.103 -10.333 1.00 65.31 H new ATOM 845 N VAL A 73 17.295 -6.291 -6.480 1.00 44.23 N ATOM 846 CA VAL A 73 16.470 -5.116 -6.228 1.00 61.33 C ATOM 847 C VAL A 73 16.459 -4.760 -4.746 1.00 71.35 C ATOM 848 O VAL A 73 17.185 -5.354 -3.949 1.00 0.01 O ATOM 849 CB VAL A 73 15.021 -5.336 -6.704 1.00 0.14 C ATOM 850 CG1 VAL A 73 14.994 -5.728 -8.172 1.00 43.35 C ATOM 851 CG2 VAL A 73 14.335 -6.391 -5.849 1.00 70.31 C ATOM 0 H VAL A 73 16.774 -7.117 -6.774 1.00 44.23 H new ATOM 0 HA VAL A 73 16.909 -4.293 -6.792 1.00 61.33 H new ATOM 0 HB VAL A 73 14.475 -4.399 -6.594 1.00 0.14 H new ATOM 0 HG11 VAL A 73 13.962 -5.879 -8.489 1.00 43.35 H new ATOM 0 HG12 VAL A 73 15.445 -4.935 -8.769 1.00 43.35 H new ATOM 0 HG13 VAL A 73 15.556 -6.652 -8.312 1.00 43.35 H new ATOM 0 HG21 VAL A 73 13.313 -6.534 -6.199 1.00 70.31 H new ATOM 0 HG22 VAL A 73 14.880 -7.332 -5.926 1.00 70.31 H new ATOM 0 HG23 VAL A 73 14.321 -6.064 -4.809 1.00 70.31 H new ATOM 861 N ASP A 74 15.629 -3.788 -4.383 1.00 24.22 N ATOM 862 CA ASP A 74 15.521 -3.354 -2.995 1.00 11.40 C ATOM 863 C ASP A 74 14.310 -3.987 -2.320 1.00 34.14 C ATOM 864 O ASP A 74 14.346 -4.308 -1.132 1.00 60.22 O ATOM 865 CB ASP A 74 15.422 -1.829 -2.923 1.00 4.35 C ATOM 866 CG ASP A 74 16.724 -1.146 -3.293 1.00 10.33 C ATOM 867 OD1 ASP A 74 17.513 -1.744 -4.054 1.00 22.05 O ATOM 868 OD2 ASP A 74 16.953 -0.011 -2.823 1.00 52.00 O ATOM 0 H ASP A 74 15.021 -3.286 -5.030 1.00 24.22 H new ATOM 0 HA ASP A 74 16.418 -3.678 -2.467 1.00 11.40 H new ATOM 0 HB2 ASP A 74 14.633 -1.487 -3.593 1.00 4.35 H new ATOM 0 HB3 ASP A 74 15.134 -1.534 -1.914 1.00 4.35 H new ATOM 873 N ASP A 75 13.238 -4.164 -3.084 1.00 14.11 N ATOM 874 CA ASP A 75 12.014 -4.760 -2.560 1.00 10.52 C ATOM 875 C ASP A 75 11.973 -6.258 -2.844 1.00 2.11 C ATOM 876 O ASP A 75 10.902 -6.845 -2.986 1.00 1.53 O ATOM 877 CB ASP A 75 10.788 -4.079 -3.170 1.00 1.32 C ATOM 878 CG ASP A 75 10.997 -2.593 -3.384 1.00 51.33 C ATOM 879 OD1 ASP A 75 11.170 -1.867 -2.383 1.00 55.44 O ATOM 880 OD2 ASP A 75 10.989 -2.156 -4.555 1.00 1.53 O ATOM 0 H ASP A 75 13.191 -3.903 -4.069 1.00 14.11 H new ATOM 0 HA ASP A 75 12.002 -4.613 -1.480 1.00 10.52 H new ATOM 0 HB2 ASP A 75 10.551 -4.551 -4.124 1.00 1.32 H new ATOM 0 HB3 ASP A 75 9.929 -4.232 -2.517 1.00 1.32 H new ATOM 885 N GLY A 76 13.151 -6.871 -2.927 1.00 32.43 N ATOM 886 CA GLY A 76 13.227 -8.295 -3.195 1.00 42.30 C ATOM 887 C GLY A 76 12.342 -9.108 -2.271 1.00 1.10 C ATOM 888 O GLY A 76 11.982 -10.242 -2.585 1.00 72.22 O ATOM 0 H GLY A 76 14.052 -6.407 -2.814 1.00 32.43 H new ATOM 0 HA2 GLY A 76 12.937 -8.483 -4.229 1.00 42.30 H new ATOM 0 HA3 GLY A 76 14.260 -8.627 -3.088 1.00 42.30 H new ATOM 892 N ALA A 77 11.992 -8.528 -1.128 1.00 4.41 N ATOM 893 CA ALA A 77 11.143 -9.205 -0.156 1.00 40.31 C ATOM 894 C ALA A 77 9.689 -9.217 -0.612 1.00 35.21 C ATOM 895 O ALA A 77 9.080 -10.279 -0.749 1.00 12.32 O ATOM 896 CB ALA A 77 11.266 -8.539 1.207 1.00 61.21 C ATOM 0 H ALA A 77 12.284 -7.590 -0.852 1.00 4.41 H new ATOM 0 HA ALA A 77 11.479 -10.239 -0.074 1.00 40.31 H new ATOM 0 HB1 ALA A 77 10.626 -9.055 1.923 1.00 61.21 H new ATOM 0 HB2 ALA A 77 12.301 -8.588 1.544 1.00 61.21 H new ATOM 0 HB3 ALA A 77 10.958 -7.496 1.131 1.00 61.21 H new ATOM 902 N SER A 78 9.136 -8.032 -0.844 1.00 12.41 N ATOM 903 CA SER A 78 7.750 -7.906 -1.280 1.00 73.24 C ATOM 904 C SER A 78 7.616 -8.231 -2.765 1.00 51.51 C ATOM 905 O SER A 78 6.755 -9.014 -3.166 1.00 41.13 O ATOM 906 CB SER A 78 7.232 -6.492 -1.007 1.00 22.15 C ATOM 907 OG SER A 78 7.153 -6.239 0.385 1.00 11.32 O ATOM 0 H SER A 78 9.627 -7.144 -0.737 1.00 12.41 H new ATOM 0 HA SER A 78 7.151 -8.619 -0.714 1.00 73.24 H new ATOM 0 HB2 SER A 78 7.892 -5.762 -1.476 1.00 22.15 H new ATOM 0 HB3 SER A 78 6.248 -6.368 -1.459 1.00 22.15 H new ATOM 0 HG SER A 78 6.821 -5.329 0.534 1.00 11.32 H new ATOM 913 N VAL A 79 8.474 -7.622 -3.576 1.00 40.33 N ATOM 914 CA VAL A 79 8.454 -7.845 -5.017 1.00 32.20 C ATOM 915 C VAL A 79 8.395 -9.334 -5.341 1.00 41.03 C ATOM 916 O VAL A 79 7.698 -9.749 -6.267 1.00 21.25 O ATOM 917 CB VAL A 79 9.692 -7.231 -5.698 1.00 61.13 C ATOM 918 CG1 VAL A 79 10.894 -8.153 -5.552 1.00 52.40 C ATOM 919 CG2 VAL A 79 9.405 -6.943 -7.164 1.00 11.21 C ATOM 0 H VAL A 79 9.192 -6.970 -3.260 1.00 40.33 H new ATOM 0 HA VAL A 79 7.558 -7.356 -5.401 1.00 32.20 H new ATOM 0 HB VAL A 79 9.926 -6.287 -5.205 1.00 61.13 H new ATOM 0 HG11 VAL A 79 11.759 -7.703 -6.039 1.00 52.40 H new ATOM 0 HG12 VAL A 79 11.111 -8.304 -4.494 1.00 52.40 H new ATOM 0 HG13 VAL A 79 10.674 -9.114 -6.018 1.00 52.40 H new ATOM 0 HG21 VAL A 79 10.290 -6.510 -7.630 1.00 11.21 H new ATOM 0 HG22 VAL A 79 9.145 -7.871 -7.673 1.00 11.21 H new ATOM 0 HG23 VAL A 79 8.574 -6.242 -7.241 1.00 11.21 H new ATOM 929 N GLN A 80 9.130 -10.130 -4.574 1.00 23.31 N ATOM 930 CA GLN A 80 9.162 -11.573 -4.780 1.00 74.32 C ATOM 931 C GLN A 80 8.045 -12.259 -4.000 1.00 4.14 C ATOM 932 O GLN A 80 7.632 -13.369 -4.335 1.00 3.40 O ATOM 933 CB GLN A 80 10.518 -12.141 -4.358 1.00 31.21 C ATOM 934 CG GLN A 80 10.969 -13.327 -5.197 1.00 54.42 C ATOM 935 CD GLN A 80 11.540 -14.452 -4.357 1.00 62.12 C ATOM 936 OE1 GLN A 80 11.215 -15.621 -4.562 1.00 72.44 O ATOM 937 NE2 GLN A 80 12.399 -14.104 -3.406 1.00 3.23 N ATOM 0 H GLN A 80 9.712 -9.801 -3.804 1.00 23.31 H new ATOM 0 HA GLN A 80 9.011 -11.766 -5.842 1.00 74.32 H new ATOM 0 HB2 GLN A 80 11.269 -11.354 -4.424 1.00 31.21 H new ATOM 0 HB3 GLN A 80 10.466 -12.445 -3.313 1.00 31.21 H new ATOM 0 HG2 GLN A 80 10.123 -13.702 -5.773 1.00 54.42 H new ATOM 0 HG3 GLN A 80 11.721 -12.996 -5.913 1.00 54.42 H new ATOM 0 HE21 GLN A 80 12.640 -13.122 -3.271 1.00 3.23 H new ATOM 0 HE22 GLN A 80 12.818 -14.819 -2.811 1.00 3.23 H new ATOM 946 N GLU A 81 7.562 -11.591 -2.958 1.00 14.22 N ATOM 947 CA GLU A 81 6.493 -12.137 -2.129 1.00 33.42 C ATOM 948 C GLU A 81 5.208 -12.301 -2.936 1.00 61.51 C ATOM 949 O GLU A 81 4.523 -13.318 -2.834 1.00 21.30 O ATOM 950 CB GLU A 81 6.239 -11.231 -0.922 1.00 60.25 C ATOM 951 CG GLU A 81 4.993 -11.602 -0.135 1.00 43.11 C ATOM 952 CD GLU A 81 5.050 -11.126 1.304 1.00 60.33 C ATOM 953 OE1 GLU A 81 5.063 -9.897 1.523 1.00 75.24 O ATOM 954 OE2 GLU A 81 5.081 -11.985 2.211 1.00 1.54 O ATOM 0 H GLU A 81 7.893 -10.671 -2.667 1.00 14.22 H new ATOM 0 HA GLU A 81 6.808 -13.119 -1.776 1.00 33.42 H new ATOM 0 HB2 GLU A 81 7.103 -11.272 -0.259 1.00 60.25 H new ATOM 0 HB3 GLU A 81 6.149 -10.200 -1.264 1.00 60.25 H new ATOM 0 HG2 GLU A 81 4.118 -11.171 -0.622 1.00 43.11 H new ATOM 0 HG3 GLU A 81 4.866 -12.684 -0.151 1.00 43.11 H new ATOM 961 N VAL A 82 4.887 -11.290 -3.738 1.00 21.22 N ATOM 962 CA VAL A 82 3.686 -11.322 -4.564 1.00 12.33 C ATOM 963 C VAL A 82 3.954 -12.009 -5.898 1.00 14.51 C ATOM 964 O VAL A 82 3.032 -12.497 -6.553 1.00 74.41 O ATOM 965 CB VAL A 82 3.150 -9.902 -4.828 1.00 2.13 C ATOM 966 CG1 VAL A 82 1.633 -9.916 -4.938 1.00 3.01 C ATOM 967 CG2 VAL A 82 3.605 -8.948 -3.733 1.00 60.51 C ATOM 0 H VAL A 82 5.442 -10.439 -3.833 1.00 21.22 H new ATOM 0 HA VAL A 82 2.936 -11.889 -4.012 1.00 12.33 H new ATOM 0 HB VAL A 82 3.556 -9.550 -5.776 1.00 2.13 H new ATOM 0 HG11 VAL A 82 1.272 -8.904 -5.124 1.00 3.01 H new ATOM 0 HG12 VAL A 82 1.334 -10.565 -5.761 1.00 3.01 H new ATOM 0 HG13 VAL A 82 1.204 -10.288 -4.008 1.00 3.01 H new ATOM 0 HG21 VAL A 82 3.217 -7.950 -3.936 1.00 60.51 H new ATOM 0 HG22 VAL A 82 3.230 -9.294 -2.770 1.00 60.51 H new ATOM 0 HG23 VAL A 82 4.694 -8.916 -3.708 1.00 60.51 H new ATOM 977 N LEU A 83 5.220 -12.043 -6.296 1.00 21.53 N ATOM 978 CA LEU A 83 5.611 -12.671 -7.553 1.00 32.31 C ATOM 979 C LEU A 83 5.658 -14.190 -7.411 1.00 54.21 C ATOM 980 O LEU A 83 5.110 -14.919 -8.240 1.00 22.22 O ATOM 981 CB LEU A 83 6.975 -12.147 -8.006 1.00 72.30 C ATOM 982 CG LEU A 83 7.277 -12.269 -9.500 1.00 2.12 C ATOM 983 CD1 LEU A 83 7.181 -13.719 -9.948 1.00 41.33 C ATOM 984 CD2 LEU A 83 6.331 -11.394 -10.309 1.00 24.10 C ATOM 0 H LEU A 83 5.994 -11.643 -5.766 1.00 21.53 H new ATOM 0 HA LEU A 83 4.864 -12.417 -8.305 1.00 32.31 H new ATOM 0 HB2 LEU A 83 7.050 -11.097 -7.725 1.00 72.30 H new ATOM 0 HB3 LEU A 83 7.749 -12.681 -7.454 1.00 72.30 H new ATOM 0 HG LEU A 83 8.296 -11.924 -9.674 1.00 2.12 H new ATOM 0 HD11 LEU A 83 7.399 -13.786 -11.014 1.00 41.33 H new ATOM 0 HD12 LEU A 83 7.901 -14.320 -9.392 1.00 41.33 H new ATOM 0 HD13 LEU A 83 6.174 -14.092 -9.760 1.00 41.33 H new ATOM 0 HD21 LEU A 83 6.561 -11.494 -11.370 1.00 24.10 H new ATOM 0 HD22 LEU A 83 5.303 -11.707 -10.130 1.00 24.10 H new ATOM 0 HD23 LEU A 83 6.451 -10.353 -10.008 1.00 24.10 H new ATOM 996 N THR A 84 6.314 -14.661 -6.355 1.00 15.20 N ATOM 997 CA THR A 84 6.431 -16.092 -6.104 1.00 12.42 C ATOM 998 C THR A 84 5.058 -16.751 -6.027 1.00 10.41 C ATOM 999 O THR A 84 4.924 -17.952 -6.257 1.00 52.32 O ATOM 1000 CB THR A 84 7.196 -16.372 -4.798 1.00 4.44 C ATOM 1001 OG1 THR A 84 8.588 -16.081 -4.973 1.00 61.13 O ATOM 1002 CG2 THR A 84 7.026 -17.822 -4.370 1.00 51.45 C ATOM 0 H THR A 84 6.772 -14.072 -5.660 1.00 15.20 H new ATOM 0 HA THR A 84 6.988 -16.515 -6.940 1.00 12.42 H new ATOM 0 HB THR A 84 6.786 -15.730 -4.019 1.00 4.44 H new ATOM 0 HG1 THR A 84 8.745 -15.127 -4.814 1.00 61.13 H new ATOM 0 HG21 THR A 84 7.576 -17.995 -3.445 1.00 51.45 H new ATOM 0 HG22 THR A 84 5.969 -18.032 -4.209 1.00 51.45 H new ATOM 0 HG23 THR A 84 7.412 -18.479 -5.150 1.00 51.45 H new ATOM 1010 N GLU A 85 4.042 -15.957 -5.702 1.00 44.41 N ATOM 1011 CA GLU A 85 2.681 -16.465 -5.595 1.00 15.22 C ATOM 1012 C GLU A 85 2.069 -16.678 -6.977 1.00 31.24 C ATOM 1013 O GLU A 85 1.146 -17.477 -7.142 1.00 41.11 O ATOM 1014 CB GLU A 85 1.813 -15.498 -4.785 1.00 63.33 C ATOM 1015 CG GLU A 85 1.397 -16.044 -3.431 1.00 33.45 C ATOM 1016 CD GLU A 85 0.773 -14.986 -2.541 1.00 45.42 C ATOM 1017 OE1 GLU A 85 -0.172 -14.309 -2.999 1.00 61.04 O ATOM 1018 OE2 GLU A 85 1.229 -14.834 -1.389 1.00 30.12 O ATOM 0 H GLU A 85 4.137 -14.960 -5.509 1.00 44.41 H new ATOM 0 HA GLU A 85 2.719 -17.425 -5.081 1.00 15.22 H new ATOM 0 HB2 GLU A 85 2.360 -14.567 -4.639 1.00 63.33 H new ATOM 0 HB3 GLU A 85 0.919 -15.256 -5.360 1.00 63.33 H new ATOM 0 HG2 GLU A 85 0.686 -16.858 -3.575 1.00 33.45 H new ATOM 0 HG3 GLU A 85 2.268 -16.466 -2.931 1.00 33.45 H new ATOM 1025 N ILE A 86 2.589 -15.958 -7.965 1.00 2.41 N ATOM 1026 CA ILE A 86 2.095 -16.068 -9.332 1.00 63.21 C ATOM 1027 C ILE A 86 1.993 -17.527 -9.764 1.00 10.11 C ATOM 1028 O ILE A 86 1.056 -17.915 -10.461 1.00 1.04 O ATOM 1029 CB ILE A 86 3.003 -15.314 -10.321 1.00 44.11 C ATOM 1030 CG1 ILE A 86 2.962 -13.811 -10.041 1.00 64.13 C ATOM 1031 CG2 ILE A 86 2.581 -15.604 -11.754 1.00 42.12 C ATOM 1032 CD1 ILE A 86 3.675 -12.982 -11.086 1.00 42.33 C ATOM 0 H ILE A 86 3.352 -15.292 -7.845 1.00 2.41 H new ATOM 0 HA ILE A 86 1.103 -15.617 -9.346 1.00 63.21 H new ATOM 0 HB ILE A 86 4.028 -15.661 -10.188 1.00 44.11 H new ATOM 0 HG12 ILE A 86 1.922 -13.489 -9.981 1.00 64.13 H new ATOM 0 HG13 ILE A 86 3.412 -13.619 -9.067 1.00 64.13 H new ATOM 0 HG21 ILE A 86 3.232 -15.064 -12.441 1.00 42.12 H new ATOM 0 HG22 ILE A 86 2.658 -16.674 -11.946 1.00 42.12 H new ATOM 0 HG23 ILE A 86 1.550 -15.282 -11.902 1.00 42.12 H new ATOM 0 HD11 ILE A 86 3.605 -11.927 -10.823 1.00 42.33 H new ATOM 0 HD12 ILE A 86 4.724 -13.276 -11.131 1.00 42.33 H new ATOM 0 HD13 ILE A 86 3.211 -13.145 -12.059 1.00 42.33 H new ATOM 1044 N SER A 87 2.963 -18.333 -9.344 1.00 3.14 N ATOM 1045 CA SER A 87 2.985 -19.749 -9.687 1.00 72.13 C ATOM 1046 C SER A 87 3.238 -20.605 -8.450 1.00 65.34 C ATOM 1047 O SER A 87 3.293 -21.832 -8.532 1.00 44.15 O ATOM 1048 CB SER A 87 4.059 -20.024 -10.741 1.00 51.42 C ATOM 1049 OG SER A 87 3.518 -20.715 -11.854 1.00 31.15 O ATOM 0 H SER A 87 3.745 -18.028 -8.765 1.00 3.14 H new ATOM 0 HA SER A 87 2.010 -20.013 -10.096 1.00 72.13 H new ATOM 0 HB2 SER A 87 4.497 -19.083 -11.072 1.00 51.42 H new ATOM 0 HB3 SER A 87 4.863 -20.613 -10.300 1.00 51.42 H new ATOM 0 HG SER A 87 4.225 -20.877 -12.514 1.00 31.15 H new ATOM 1055 N ASN A 88 3.394 -19.949 -7.306 1.00 11.21 N ATOM 1056 CA ASN A 88 3.643 -20.649 -6.051 1.00 13.44 C ATOM 1057 C ASN A 88 4.744 -21.690 -6.218 1.00 42.21 C ATOM 1058 O ASN A 88 4.581 -22.847 -5.834 1.00 22.45 O ATOM 1059 CB ASN A 88 2.361 -21.321 -5.554 1.00 52.15 C ATOM 1060 CG ASN A 88 2.254 -21.317 -4.042 1.00 24.41 C ATOM 1061 OD1 ASN A 88 3.244 -21.523 -3.338 1.00 64.54 O ATOM 1062 ND2 ASN A 88 1.050 -21.083 -3.534 1.00 5.13 N ATOM 0 H ASN A 88 3.353 -18.933 -7.221 1.00 11.21 H new ATOM 0 HA ASN A 88 3.970 -19.916 -5.314 1.00 13.44 H new ATOM 0 HB2 ASN A 88 1.498 -20.808 -5.978 1.00 52.15 H new ATOM 0 HB3 ASN A 88 2.330 -22.349 -5.915 1.00 52.15 H new ATOM 0 HD21 ASN A 88 0.917 -21.069 -2.523 1.00 5.13 H new ATOM 0 HD22 ASN A 88 0.258 -20.917 -4.155 1.00 5.13 H new ATOM 1069 N GLN A 89 5.866 -21.270 -6.794 1.00 52.35 N ATOM 1070 CA GLN A 89 6.994 -22.167 -7.013 1.00 62.34 C ATOM 1071 C GLN A 89 8.223 -21.693 -6.243 1.00 32.44 C ATOM 1072 O GLN A 89 8.309 -20.532 -5.844 1.00 64.32 O ATOM 1073 CB GLN A 89 7.318 -22.260 -8.505 1.00 14.13 C ATOM 1074 CG GLN A 89 8.129 -21.085 -9.027 1.00 15.01 C ATOM 1075 CD GLN A 89 7.407 -19.761 -8.864 1.00 61.34 C ATOM 1076 OE1 GLN A 89 7.366 -19.192 -7.773 1.00 63.33 O ATOM 1077 NE2 GLN A 89 6.833 -19.263 -9.953 1.00 13.43 N ATOM 0 H GLN A 89 6.018 -20.315 -7.117 1.00 52.35 H new ATOM 0 HA GLN A 89 6.716 -23.155 -6.647 1.00 62.34 H new ATOM 0 HB2 GLN A 89 7.869 -23.182 -8.692 1.00 14.13 H new ATOM 0 HB3 GLN A 89 6.386 -22.326 -9.067 1.00 14.13 H new ATOM 0 HG2 GLN A 89 9.082 -21.043 -8.499 1.00 15.01 H new ATOM 0 HG3 GLN A 89 8.355 -21.244 -10.081 1.00 15.01 H new ATOM 0 HE21 GLN A 89 6.892 -19.768 -10.837 1.00 13.43 H new ATOM 0 HE22 GLN A 89 6.333 -18.375 -9.905 1.00 13.43 H new ATOM 1086 N LYS A 90 9.172 -22.600 -6.038 1.00 32.25 N ATOM 1087 CA LYS A 90 10.397 -22.277 -5.316 1.00 31.23 C ATOM 1088 C LYS A 90 11.120 -21.104 -5.970 1.00 52.31 C ATOM 1089 O LYS A 90 11.435 -20.111 -5.315 1.00 5.41 O ATOM 1090 CB LYS A 90 11.321 -23.495 -5.265 1.00 61.40 C ATOM 1091 CG LYS A 90 12.566 -23.281 -4.422 1.00 11.12 C ATOM 1092 CD LYS A 90 12.305 -23.584 -2.956 1.00 1.01 C ATOM 1093 CE LYS A 90 13.415 -23.041 -2.069 1.00 61.34 C ATOM 1094 NZ LYS A 90 13.392 -21.554 -1.998 1.00 54.31 N ATOM 0 H LYS A 90 9.116 -23.566 -6.362 1.00 32.25 H new ATOM 0 HA LYS A 90 10.125 -21.993 -4.299 1.00 31.23 H new ATOM 0 HB2 LYS A 90 10.766 -24.345 -4.868 1.00 61.40 H new ATOM 0 HB3 LYS A 90 11.621 -23.756 -6.280 1.00 61.40 H new ATOM 0 HG2 LYS A 90 13.369 -23.920 -4.789 1.00 11.12 H new ATOM 0 HG3 LYS A 90 12.905 -22.250 -4.527 1.00 11.12 H new ATOM 0 HD2 LYS A 90 11.352 -23.147 -2.657 1.00 1.01 H new ATOM 0 HD3 LYS A 90 12.220 -24.662 -2.816 1.00 1.01 H new ATOM 0 HE2 LYS A 90 13.312 -23.454 -1.065 1.00 61.34 H new ATOM 0 HE3 LYS A 90 14.380 -23.371 -2.452 1.00 61.34 H new ATOM 0 HZ1 LYS A 90 13.955 -21.237 -1.183 1.00 54.31 H new ATOM 0 HZ2 LYS A 90 13.794 -21.158 -2.872 1.00 54.31 H new ATOM 0 HZ3 LYS A 90 12.411 -21.227 -1.889 1.00 54.31 H new ATOM 1108 N THR A 91 11.379 -21.225 -7.269 1.00 24.15 N ATOM 1109 CA THR A 91 12.066 -20.175 -8.012 1.00 55.11 C ATOM 1110 C THR A 91 11.110 -19.043 -8.372 1.00 13.50 C ATOM 1111 O THR A 91 9.947 -19.047 -7.969 1.00 12.13 O ATOM 1112 CB THR A 91 12.701 -20.725 -9.303 1.00 22.13 C ATOM 1113 OG1 THR A 91 11.841 -21.704 -9.895 1.00 34.10 O ATOM 1114 CG2 THR A 91 14.060 -21.345 -9.015 1.00 44.32 C ATOM 0 H THR A 91 11.123 -22.039 -7.828 1.00 24.15 H new ATOM 0 HA THR A 91 12.853 -19.791 -7.364 1.00 55.11 H new ATOM 0 HB THR A 91 12.836 -19.895 -9.997 1.00 22.13 H new ATOM 0 HG1 THR A 91 12.252 -22.047 -10.716 1.00 34.10 H new ATOM 0 HG21 THR A 91 14.489 -21.727 -9.941 1.00 44.32 H new ATOM 0 HG22 THR A 91 14.722 -20.590 -8.592 1.00 44.32 H new ATOM 0 HG23 THR A 91 13.943 -22.164 -8.305 1.00 44.32 H new ATOM 1122 N VAL A 92 11.609 -18.074 -9.134 1.00 34.20 N ATOM 1123 CA VAL A 92 10.798 -16.936 -9.550 1.00 12.22 C ATOM 1124 C VAL A 92 10.671 -16.876 -11.067 1.00 71.43 C ATOM 1125 O VAL A 92 10.900 -15.843 -11.695 1.00 23.12 O ATOM 1126 CB VAL A 92 11.393 -15.608 -9.043 1.00 44.24 C ATOM 1127 CG1 VAL A 92 10.343 -14.508 -9.066 1.00 74.51 C ATOM 1128 CG2 VAL A 92 11.966 -15.781 -7.645 1.00 44.14 C ATOM 0 H VAL A 92 12.570 -18.055 -9.475 1.00 34.20 H new ATOM 0 HA VAL A 92 9.810 -17.075 -9.111 1.00 12.22 H new ATOM 0 HB VAL A 92 12.204 -15.316 -9.710 1.00 44.24 H new ATOM 0 HG11 VAL A 92 10.782 -13.578 -8.705 1.00 74.51 H new ATOM 0 HG12 VAL A 92 9.985 -14.368 -10.086 1.00 74.51 H new ATOM 0 HG13 VAL A 92 9.508 -14.789 -8.424 1.00 74.51 H new ATOM 0 HG21 VAL A 92 12.382 -14.834 -7.302 1.00 44.14 H new ATOM 0 HG22 VAL A 92 11.176 -16.097 -6.964 1.00 44.14 H new ATOM 0 HG23 VAL A 92 12.752 -16.536 -7.665 1.00 44.14 H new ATOM 1138 N PRO A 93 10.296 -18.012 -11.674 1.00 35.42 N ATOM 1139 CA PRO A 93 10.128 -18.116 -13.127 1.00 40.02 C ATOM 1140 C PRO A 93 8.918 -17.334 -13.628 1.00 5.44 C ATOM 1141 O PRO A 93 7.786 -17.601 -13.230 1.00 52.13 O ATOM 1142 CB PRO A 93 9.925 -19.616 -13.354 1.00 1.11 C ATOM 1143 CG PRO A 93 9.378 -20.124 -12.066 1.00 22.43 C ATOM 1144 CD PRO A 93 10.005 -19.283 -10.988 1.00 42.14 C ATOM 0 HA PRO A 93 10.979 -17.700 -13.666 1.00 40.02 H new ATOM 0 HB2 PRO A 93 9.236 -19.802 -14.178 1.00 1.11 H new ATOM 0 HB3 PRO A 93 10.864 -20.109 -13.607 1.00 1.11 H new ATOM 0 HG2 PRO A 93 8.291 -20.040 -12.044 1.00 22.43 H new ATOM 0 HG3 PRO A 93 9.619 -21.178 -11.928 1.00 22.43 H new ATOM 0 HD2 PRO A 93 9.328 -19.139 -10.146 1.00 42.14 H new ATOM 0 HD3 PRO A 93 10.911 -19.744 -10.594 1.00 42.14 H new ATOM 1152 N ASN A 94 9.168 -16.365 -14.504 1.00 73.52 N ATOM 1153 CA ASN A 94 8.099 -15.544 -15.060 1.00 61.30 C ATOM 1154 C ASN A 94 8.277 -15.365 -16.564 1.00 43.51 C ATOM 1155 O ASN A 94 9.181 -14.659 -17.013 1.00 62.23 O ATOM 1156 CB ASN A 94 8.068 -14.177 -14.372 1.00 41.13 C ATOM 1157 CG ASN A 94 6.948 -14.066 -13.357 1.00 12.21 C ATOM 1158 OD1 ASN A 94 6.284 -13.034 -13.259 1.00 53.22 O ATOM 1159 ND2 ASN A 94 6.732 -15.133 -12.595 1.00 4.52 N ATOM 0 H ASN A 94 10.101 -16.130 -14.843 1.00 73.52 H new ATOM 0 HA ASN A 94 7.152 -16.054 -14.883 1.00 61.30 H new ATOM 0 HB2 ASN A 94 9.023 -14.001 -13.876 1.00 41.13 H new ATOM 0 HB3 ASN A 94 7.951 -13.397 -15.125 1.00 41.13 H new ATOM 0 HD21 ASN A 94 5.991 -15.118 -11.894 1.00 4.52 H new ATOM 0 HD22 ASN A 94 7.307 -15.967 -12.711 1.00 4.52 H new ATOM 1166 N ILE A 95 7.409 -16.008 -17.338 1.00 72.22 N ATOM 1167 CA ILE A 95 7.469 -15.918 -18.791 1.00 62.50 C ATOM 1168 C ILE A 95 6.156 -15.396 -19.364 1.00 63.15 C ATOM 1169 O ILE A 95 5.173 -16.130 -19.461 1.00 73.44 O ATOM 1170 CB ILE A 95 7.787 -17.285 -19.428 1.00 11.33 C ATOM 1171 CG1 ILE A 95 7.249 -18.417 -18.550 1.00 20.23 C ATOM 1172 CG2 ILE A 95 9.285 -17.436 -19.636 1.00 44.40 C ATOM 1173 CD1 ILE A 95 8.210 -18.850 -17.466 1.00 24.03 C ATOM 0 H ILE A 95 6.656 -16.597 -16.983 1.00 72.22 H new ATOM 0 HA ILE A 95 8.271 -15.220 -19.031 1.00 62.50 H new ATOM 0 HB ILE A 95 7.298 -17.340 -20.400 1.00 11.33 H new ATOM 0 HG12 ILE A 95 6.315 -18.096 -18.089 1.00 20.23 H new ATOM 0 HG13 ILE A 95 7.015 -19.275 -19.180 1.00 20.23 H new ATOM 0 HG21 ILE A 95 9.494 -18.406 -20.087 1.00 44.40 H new ATOM 0 HG22 ILE A 95 9.642 -16.645 -20.296 1.00 44.40 H new ATOM 0 HG23 ILE A 95 9.795 -17.365 -18.675 1.00 44.40 H new ATOM 0 HD11 ILE A 95 7.762 -19.655 -16.883 1.00 24.03 H new ATOM 0 HD12 ILE A 95 9.136 -19.202 -17.920 1.00 24.03 H new ATOM 0 HD13 ILE A 95 8.425 -18.005 -16.812 1.00 24.03 H new ATOM 1185 N PHE A 96 6.147 -14.123 -19.746 1.00 4.41 N ATOM 1186 CA PHE A 96 4.956 -13.502 -20.312 1.00 35.15 C ATOM 1187 C PHE A 96 5.327 -12.524 -21.422 1.00 72.00 C ATOM 1188 O PHE A 96 5.926 -11.479 -21.170 1.00 63.54 O ATOM 1189 CB PHE A 96 4.166 -12.776 -19.219 1.00 63.02 C ATOM 1190 CG PHE A 96 3.901 -13.622 -18.008 1.00 25.41 C ATOM 1191 CD1 PHE A 96 4.882 -13.802 -17.045 1.00 14.55 C ATOM 1192 CD2 PHE A 96 2.674 -14.240 -17.831 1.00 55.52 C ATOM 1193 CE1 PHE A 96 4.641 -14.580 -15.928 1.00 2.22 C ATOM 1194 CE2 PHE A 96 2.427 -15.017 -16.716 1.00 63.54 C ATOM 1195 CZ PHE A 96 3.413 -15.190 -15.764 1.00 1.13 C ATOM 0 H PHE A 96 6.952 -13.501 -19.674 1.00 4.41 H new ATOM 0 HA PHE A 96 4.334 -14.289 -20.739 1.00 35.15 H new ATOM 0 HB2 PHE A 96 4.715 -11.885 -18.916 1.00 63.02 H new ATOM 0 HB3 PHE A 96 3.215 -12.439 -19.632 1.00 63.02 H new ATOM 0 HD1 PHE A 96 5.845 -13.329 -17.169 1.00 14.55 H new ATOM 0 HD2 PHE A 96 1.901 -14.113 -18.574 1.00 55.52 H new ATOM 0 HE1 PHE A 96 5.413 -14.711 -15.184 1.00 2.22 H new ATOM 0 HE2 PHE A 96 1.464 -15.489 -16.589 1.00 63.54 H new ATOM 0 HZ PHE A 96 3.224 -15.801 -14.894 1.00 1.13 H new ATOM 1205 N VAL A 97 4.965 -12.871 -22.653 1.00 60.42 N ATOM 1206 CA VAL A 97 5.259 -12.025 -23.804 1.00 30.22 C ATOM 1207 C VAL A 97 3.977 -11.584 -24.503 1.00 23.43 C ATOM 1208 O VAL A 97 3.054 -12.376 -24.683 1.00 55.20 O ATOM 1209 CB VAL A 97 6.161 -12.751 -24.819 1.00 21.43 C ATOM 1210 CG1 VAL A 97 5.598 -14.126 -25.146 1.00 55.11 C ATOM 1211 CG2 VAL A 97 6.321 -11.918 -26.081 1.00 14.30 C ATOM 0 H VAL A 97 4.468 -13.732 -22.879 1.00 60.42 H new ATOM 0 HA VAL A 97 5.784 -11.148 -23.426 1.00 30.22 H new ATOM 0 HB VAL A 97 7.146 -12.885 -24.372 1.00 21.43 H new ATOM 0 HG11 VAL A 97 6.249 -14.624 -25.865 1.00 55.11 H new ATOM 0 HG12 VAL A 97 5.540 -14.722 -24.235 1.00 55.11 H new ATOM 0 HG13 VAL A 97 4.601 -14.019 -25.573 1.00 55.11 H new ATOM 0 HG21 VAL A 97 6.962 -12.447 -26.787 1.00 14.30 H new ATOM 0 HG22 VAL A 97 5.343 -11.751 -26.533 1.00 14.30 H new ATOM 0 HG23 VAL A 97 6.773 -10.959 -25.829 1.00 14.30 H new ATOM 1221 N ASN A 98 3.931 -10.315 -24.895 1.00 71.05 N ATOM 1222 CA ASN A 98 2.763 -9.768 -25.576 1.00 31.13 C ATOM 1223 C ASN A 98 1.541 -9.792 -24.662 1.00 12.10 C ATOM 1224 O ASN A 98 0.412 -9.978 -25.119 1.00 65.23 O ATOM 1225 CB ASN A 98 2.473 -10.559 -26.853 1.00 62.03 C ATOM 1226 CG ASN A 98 1.721 -9.738 -27.883 1.00 65.30 C ATOM 1227 OD1 ASN A 98 2.248 -9.692 -29.102 1.00 2.21 O flip ATOM 1228 ND2 ASN A 98 0.679 -9.154 -27.587 1.00 22.25 N flip ATOM 0 H ASN A 98 4.688 -9.647 -24.753 1.00 71.05 H new ATOM 0 HA ASN A 98 2.979 -8.733 -25.840 1.00 31.13 H new ATOM 0 HB2 ASN A 98 3.412 -10.905 -27.284 1.00 62.03 H new ATOM 0 HB3 ASN A 98 1.891 -11.446 -26.603 1.00 62.03 H new ATOM 0 HD21 ASN A 98 0.311 -9.217 -26.638 1.00 22.25 H new ATOM 0 HD22 ASN A 98 0.183 -8.607 -28.291 1.00 22.25 H new ATOM 1235 N LYS A 99 1.773 -9.601 -23.368 1.00 61.11 N ATOM 1236 CA LYS A 99 0.692 -9.598 -22.389 1.00 23.45 C ATOM 1237 C LYS A 99 0.014 -10.963 -22.323 1.00 21.32 C ATOM 1238 O LYS A 99 -1.176 -11.062 -22.025 1.00 71.32 O ATOM 1239 CB LYS A 99 -0.337 -8.521 -22.738 1.00 73.40 C ATOM 1240 CG LYS A 99 0.279 -7.166 -23.040 1.00 53.11 C ATOM 1241 CD LYS A 99 -0.006 -6.731 -24.468 1.00 31.00 C ATOM 1242 CE LYS A 99 1.112 -5.858 -25.017 1.00 50.12 C ATOM 1243 NZ LYS A 99 0.664 -4.454 -25.233 1.00 44.24 N ATOM 0 H LYS A 99 2.700 -9.446 -22.972 1.00 61.11 H new ATOM 0 HA LYS A 99 1.121 -9.378 -21.412 1.00 23.45 H new ATOM 0 HB2 LYS A 99 -0.915 -8.849 -23.602 1.00 73.40 H new ATOM 0 HB3 LYS A 99 -1.036 -8.416 -21.908 1.00 73.40 H new ATOM 0 HG2 LYS A 99 -0.115 -6.423 -22.347 1.00 53.11 H new ATOM 0 HG3 LYS A 99 1.356 -7.211 -22.880 1.00 53.11 H new ATOM 0 HD2 LYS A 99 -0.127 -7.611 -25.100 1.00 31.00 H new ATOM 0 HD3 LYS A 99 -0.947 -6.183 -24.502 1.00 31.00 H new ATOM 0 HE2 LYS A 99 1.954 -5.868 -24.325 1.00 50.12 H new ATOM 0 HE3 LYS A 99 1.469 -6.274 -25.959 1.00 50.12 H new ATOM 0 HZ1 LYS A 99 1.487 -3.819 -25.208 1.00 44.24 H new ATOM 0 HZ2 LYS A 99 0.196 -4.377 -26.159 1.00 44.24 H new ATOM 0 HZ3 LYS A 99 -0.005 -4.184 -24.484 1.00 44.24 H new ATOM 1257 N VAL A 100 0.781 -12.013 -22.599 1.00 73.55 N ATOM 1258 CA VAL A 100 0.253 -13.372 -22.569 1.00 22.31 C ATOM 1259 C VAL A 100 1.066 -14.256 -21.629 1.00 62.12 C ATOM 1260 O VAL A 100 2.222 -13.957 -21.322 1.00 53.22 O ATOM 1261 CB VAL A 100 0.249 -14.005 -23.974 1.00 1.00 C ATOM 1262 CG1 VAL A 100 1.537 -14.777 -24.217 1.00 1.43 C ATOM 1263 CG2 VAL A 100 -0.964 -14.907 -24.148 1.00 3.11 C ATOM 0 H VAL A 100 1.769 -11.949 -22.846 1.00 73.55 H new ATOM 0 HA VAL A 100 -0.773 -13.305 -22.206 1.00 22.31 H new ATOM 0 HB VAL A 100 0.189 -13.206 -24.713 1.00 1.00 H new ATOM 0 HG11 VAL A 100 1.515 -15.217 -25.214 1.00 1.43 H new ATOM 0 HG12 VAL A 100 2.388 -14.100 -24.137 1.00 1.43 H new ATOM 0 HG13 VAL A 100 1.633 -15.568 -23.474 1.00 1.43 H new ATOM 0 HG21 VAL A 100 -0.951 -15.346 -25.146 1.00 3.11 H new ATOM 0 HG22 VAL A 100 -0.937 -15.701 -23.402 1.00 3.11 H new ATOM 0 HG23 VAL A 100 -1.874 -14.321 -24.021 1.00 3.11 H new ATOM 1273 N HIS A 101 0.457 -15.346 -21.175 1.00 13.20 N ATOM 1274 CA HIS A 101 1.125 -16.274 -20.269 1.00 74.11 C ATOM 1275 C HIS A 101 1.710 -17.455 -21.038 1.00 23.12 C ATOM 1276 O HIS A 101 1.017 -18.108 -21.817 1.00 40.15 O ATOM 1277 CB HIS A 101 0.146 -16.777 -19.208 1.00 22.12 C ATOM 1278 CG HIS A 101 -1.154 -17.263 -19.773 1.00 25.34 C ATOM 1279 ND1 HIS A 101 -2.248 -16.444 -19.957 1.00 25.13 N ATOM 1280 CD2 HIS A 101 -1.530 -18.492 -20.197 1.00 54.22 C ATOM 1281 CE1 HIS A 101 -3.241 -17.148 -20.467 1.00 51.14 C ATOM 1282 NE2 HIS A 101 -2.831 -18.394 -20.623 1.00 52.15 N ATOM 0 H HIS A 101 -0.498 -15.609 -21.419 1.00 13.20 H new ATOM 0 HA HIS A 101 1.940 -15.742 -19.778 1.00 74.11 H new ATOM 0 HB2 HIS A 101 0.614 -17.586 -18.648 1.00 22.12 H new ATOM 0 HB3 HIS A 101 -0.053 -15.973 -18.499 1.00 22.12 H new ATOM 0 HD2 HIS A 101 -0.920 -19.383 -20.200 1.00 54.22 H new ATOM 0 HE1 HIS A 101 -4.222 -16.770 -20.715 1.00 51.14 H new ATOM 0 HE2 HIS A 101 -3.391 -19.159 -20.999 1.00 52.15 H new ATOM 1290 N VAL A 102 2.993 -17.723 -20.813 1.00 44.12 N ATOM 1291 CA VAL A 102 3.673 -18.825 -21.484 1.00 44.24 C ATOM 1292 C VAL A 102 3.696 -20.071 -20.608 1.00 34.33 C ATOM 1293 O VAL A 102 3.464 -21.183 -21.084 1.00 4.33 O ATOM 1294 CB VAL A 102 5.119 -18.447 -21.858 1.00 71.30 C ATOM 1295 CG1 VAL A 102 5.834 -19.633 -22.487 1.00 65.03 C ATOM 1296 CG2 VAL A 102 5.131 -17.248 -22.794 1.00 62.45 C ATOM 0 H VAL A 102 3.582 -17.192 -20.171 1.00 44.12 H new ATOM 0 HA VAL A 102 3.113 -19.035 -22.395 1.00 44.24 H new ATOM 0 HB VAL A 102 5.652 -18.173 -20.948 1.00 71.30 H new ATOM 0 HG11 VAL A 102 6.854 -19.348 -22.745 1.00 65.03 H new ATOM 0 HG12 VAL A 102 5.857 -20.461 -21.779 1.00 65.03 H new ATOM 0 HG13 VAL A 102 5.304 -19.941 -23.389 1.00 65.03 H new ATOM 0 HG21 VAL A 102 6.160 -16.995 -23.048 1.00 62.45 H new ATOM 0 HG22 VAL A 102 4.582 -17.491 -23.704 1.00 62.45 H new ATOM 0 HG23 VAL A 102 4.659 -16.398 -22.302 1.00 62.45 H new ATOM 1306 N GLY A 103 3.975 -19.881 -19.322 1.00 55.54 N ATOM 1307 CA GLY A 103 4.022 -20.998 -18.398 1.00 65.00 C ATOM 1308 C GLY A 103 5.401 -21.199 -17.801 1.00 30.34 C ATOM 1309 O GLY A 103 5.706 -20.669 -16.733 1.00 53.41 O ATOM 0 H GLY A 103 4.170 -18.971 -18.904 1.00 55.54 H new ATOM 0 HA2 GLY A 103 3.303 -20.832 -17.596 1.00 65.00 H new ATOM 0 HA3 GLY A 103 3.718 -21.907 -18.916 1.00 65.00 H new ATOM 1313 N GLY A 104 6.236 -21.970 -18.491 1.00 24.43 N ATOM 1314 CA GLY A 104 7.580 -22.228 -18.005 1.00 54.11 C ATOM 1315 C GLY A 104 7.679 -23.532 -17.239 1.00 31.04 C ATOM 1316 O GLY A 104 6.673 -24.055 -16.756 1.00 43.41 O ATOM 0 H GLY A 104 6.007 -22.420 -19.377 1.00 24.43 H new ATOM 0 HA2 GLY A 104 8.270 -22.253 -18.849 1.00 54.11 H new ATOM 0 HA3 GLY A 104 7.894 -21.407 -17.361 1.00 54.11 H new ATOM 1320 N CYS A 105 8.892 -24.061 -17.128 1.00 41.42 N ATOM 1321 CA CYS A 105 9.119 -25.313 -16.418 1.00 31.30 C ATOM 1322 C CYS A 105 8.444 -26.477 -17.138 1.00 10.31 C ATOM 1323 O CYS A 105 8.329 -27.574 -16.592 1.00 52.02 O ATOM 1324 CB CYS A 105 8.596 -25.213 -14.984 1.00 60.15 C ATOM 1325 SG CYS A 105 9.384 -26.359 -13.829 1.00 62.23 S ATOM 0 H CYS A 105 9.734 -23.641 -17.521 1.00 41.42 H new ATOM 0 HA CYS A 105 10.193 -25.498 -16.393 1.00 31.30 H new ATOM 0 HB2 CYS A 105 8.743 -24.194 -14.625 1.00 60.15 H new ATOM 0 HB3 CYS A 105 7.522 -25.398 -14.987 1.00 60.15 H new ATOM 0 HG CYS A 105 8.877 -26.197 -12.643 1.00 62.23 H new ATOM 1331 N ASP A 106 7.999 -26.228 -18.364 1.00 54.41 N ATOM 1332 CA ASP A 106 7.333 -27.254 -19.159 1.00 3.52 C ATOM 1333 C ASP A 106 6.817 -26.674 -20.472 1.00 12.11 C ATOM 1334 O ASP A 106 6.972 -27.279 -21.533 1.00 63.40 O ATOM 1335 CB ASP A 106 6.178 -27.871 -18.370 1.00 23.21 C ATOM 1336 CG ASP A 106 6.498 -29.268 -17.873 1.00 1.53 C ATOM 1337 OD1 ASP A 106 7.182 -30.016 -18.602 1.00 40.13 O ATOM 1338 OD2 ASP A 106 6.065 -29.612 -16.754 1.00 33.22 O ATOM 0 H ASP A 106 8.087 -25.325 -18.830 1.00 54.41 H new ATOM 0 HA ASP A 106 8.062 -28.032 -19.388 1.00 3.52 H new ATOM 0 HB2 ASP A 106 5.940 -27.232 -17.520 1.00 23.21 H new ATOM 0 HB3 ASP A 106 5.289 -27.907 -19.000 1.00 23.21 H new ATOM 1343 N ARG A 107 6.201 -25.499 -20.392 1.00 74.21 N ATOM 1344 CA ARG A 107 5.659 -24.839 -21.574 1.00 52.41 C ATOM 1345 C ARG A 107 6.762 -24.129 -22.354 1.00 3.14 C ATOM 1346 O ARG A 107 6.984 -24.410 -23.532 1.00 60.23 O ATOM 1347 CB ARG A 107 4.577 -23.835 -21.172 1.00 72.31 C ATOM 1348 CG ARG A 107 3.300 -23.957 -21.987 1.00 72.15 C ATOM 1349 CD ARG A 107 3.557 -23.713 -23.466 1.00 3.22 C ATOM 1350 NE ARG A 107 2.343 -23.857 -24.264 1.00 70.31 N ATOM 1351 CZ ARG A 107 1.392 -22.932 -24.329 1.00 50.35 C ATOM 1352 NH1 ARG A 107 1.515 -21.801 -23.649 1.00 55.35 N ATOM 1353 NH2 ARG A 107 0.316 -23.137 -25.079 1.00 33.22 N ATOM 0 H ARG A 107 6.065 -24.985 -19.522 1.00 74.21 H new ATOM 0 HA ARG A 107 5.217 -25.602 -22.215 1.00 52.41 H new ATOM 0 HB2 ARG A 107 4.339 -23.973 -20.117 1.00 72.31 H new ATOM 0 HB3 ARG A 107 4.972 -22.825 -21.280 1.00 72.31 H new ATOM 0 HG2 ARG A 107 2.873 -24.951 -21.850 1.00 72.15 H new ATOM 0 HG3 ARG A 107 2.564 -23.241 -21.622 1.00 72.15 H new ATOM 0 HD2 ARG A 107 3.964 -22.711 -23.603 1.00 3.22 H new ATOM 0 HD3 ARG A 107 4.311 -24.414 -23.823 1.00 3.22 H new ATOM 0 HE ARG A 107 2.218 -24.715 -24.801 1.00 70.31 H new ATOM 0 HH11 ARG A 107 2.342 -21.639 -23.074 1.00 55.35 H new ATOM 0 HH12 ARG A 107 0.783 -21.093 -23.701 1.00 55.35 H new ATOM 0 HH21 ARG A 107 0.219 -24.005 -25.606 1.00 33.22 H new ATOM 0 HH22 ARG A 107 -0.414 -22.426 -25.129 1.00 33.22 H new ATOM 1367 N THR A 108 7.451 -23.207 -21.689 1.00 74.05 N ATOM 1368 CA THR A 108 8.529 -22.455 -22.320 1.00 20.25 C ATOM 1369 C THR A 108 9.696 -23.367 -22.681 1.00 4.03 C ATOM 1370 O THR A 108 10.472 -23.069 -23.589 1.00 73.12 O ATOM 1371 CB THR A 108 9.037 -21.327 -21.403 1.00 43.02 C ATOM 1372 OG1 THR A 108 7.930 -20.622 -20.833 1.00 32.33 O ATOM 1373 CG2 THR A 108 9.918 -20.357 -22.178 1.00 12.30 C ATOM 0 H THR A 108 7.282 -22.963 -20.713 1.00 74.05 H new ATOM 0 HA THR A 108 8.120 -22.016 -23.230 1.00 20.25 H new ATOM 0 HB THR A 108 9.630 -21.776 -20.606 1.00 43.02 H new ATOM 0 HG1 THR A 108 8.023 -19.664 -21.016 1.00 32.33 H new ATOM 0 HG21 THR A 108 10.266 -19.568 -21.511 1.00 12.30 H new ATOM 0 HG22 THR A 108 10.776 -20.891 -22.586 1.00 12.30 H new ATOM 0 HG23 THR A 108 9.344 -19.916 -22.993 1.00 12.30 H new ATOM 1381 N PHE A 109 9.815 -24.480 -21.963 1.00 53.23 N ATOM 1382 CA PHE A 109 10.889 -25.435 -22.209 1.00 24.24 C ATOM 1383 C PHE A 109 10.570 -26.314 -23.414 1.00 50.14 C ATOM 1384 O PHE A 109 11.413 -26.514 -24.289 1.00 32.45 O ATOM 1385 CB PHE A 109 11.115 -26.308 -20.973 1.00 21.24 C ATOM 1386 CG PHE A 109 12.564 -26.600 -20.702 1.00 33.53 C ATOM 1387 CD1 PHE A 109 13.421 -26.934 -21.737 1.00 64.54 C ATOM 1388 CD2 PHE A 109 13.067 -26.543 -19.412 1.00 54.34 C ATOM 1389 CE1 PHE A 109 14.755 -27.204 -21.492 1.00 2.31 C ATOM 1390 CE2 PHE A 109 14.398 -26.811 -19.161 1.00 24.41 C ATOM 1391 CZ PHE A 109 15.244 -27.143 -20.202 1.00 70.01 C ATOM 0 H PHE A 109 9.182 -24.742 -21.207 1.00 53.23 H new ATOM 0 HA PHE A 109 11.799 -24.874 -22.422 1.00 24.24 H new ATOM 0 HB2 PHE A 109 10.684 -25.812 -20.104 1.00 21.24 H new ATOM 0 HB3 PHE A 109 10.580 -27.249 -21.100 1.00 21.24 H new ATOM 0 HD1 PHE A 109 13.043 -26.984 -22.748 1.00 64.54 H new ATOM 0 HD2 PHE A 109 12.411 -26.286 -18.594 1.00 54.34 H new ATOM 0 HE1 PHE A 109 15.413 -27.462 -22.308 1.00 2.31 H new ATOM 0 HE2 PHE A 109 14.778 -26.761 -18.151 1.00 24.41 H new ATOM 0 HZ PHE A 109 16.285 -27.354 -20.007 1.00 70.01 H new ATOM 1401 N GLN A 110 9.349 -26.836 -23.453 1.00 52.02 N ATOM 1402 CA GLN A 110 8.919 -27.695 -24.550 1.00 3.32 C ATOM 1403 C GLN A 110 8.652 -26.876 -25.809 1.00 73.45 C ATOM 1404 O GLN A 110 9.193 -27.166 -26.876 1.00 40.11 O ATOM 1405 CB GLN A 110 7.662 -28.471 -24.156 1.00 55.33 C ATOM 1406 CG GLN A 110 7.908 -29.532 -23.096 1.00 3.23 C ATOM 1407 CD GLN A 110 6.639 -29.942 -22.374 1.00 63.10 C ATOM 1408 OE1 GLN A 110 6.616 -30.052 -21.148 1.00 63.44 O ATOM 1409 NE2 GLN A 110 5.574 -30.172 -23.134 1.00 43.41 N ATOM 0 H GLN A 110 8.639 -26.679 -22.737 1.00 52.02 H new ATOM 0 HA GLN A 110 9.722 -28.402 -24.761 1.00 3.32 H new ATOM 0 HB2 GLN A 110 6.913 -27.770 -23.789 1.00 55.33 H new ATOM 0 HB3 GLN A 110 7.246 -28.946 -25.044 1.00 55.33 H new ATOM 0 HG2 GLN A 110 8.355 -30.409 -23.563 1.00 3.23 H new ATOM 0 HG3 GLN A 110 8.629 -29.155 -22.370 1.00 3.23 H new ATOM 0 HE21 GLN A 110 5.638 -30.069 -24.147 1.00 43.41 H new ATOM 0 HE22 GLN A 110 4.692 -30.452 -22.705 1.00 43.41 H new ATOM 1418 N ALA A 111 7.814 -25.853 -25.677 1.00 63.10 N ATOM 1419 CA ALA A 111 7.477 -24.991 -26.804 1.00 22.34 C ATOM 1420 C ALA A 111 8.732 -24.521 -27.529 1.00 41.44 C ATOM 1421 O ALA A 111 8.708 -24.273 -28.736 1.00 21.24 O ATOM 1422 CB ALA A 111 6.659 -23.799 -26.330 1.00 72.30 C ATOM 0 H ALA A 111 7.356 -25.601 -24.801 1.00 63.10 H new ATOM 0 HA ALA A 111 6.879 -25.570 -27.508 1.00 22.34 H new ATOM 0 HB1 ALA A 111 6.414 -23.164 -27.181 1.00 72.30 H new ATOM 0 HB2 ALA A 111 5.739 -24.151 -25.864 1.00 72.30 H new ATOM 0 HB3 ALA A 111 7.237 -23.226 -25.605 1.00 72.30 H new ATOM 1428 N HIS A 112 9.828 -24.397 -26.787 1.00 50.22 N ATOM 1429 CA HIS A 112 11.094 -23.955 -27.361 1.00 1.52 C ATOM 1430 C HIS A 112 11.597 -24.951 -28.400 1.00 63.05 C ATOM 1431 O HIS A 112 11.987 -24.567 -29.503 1.00 74.41 O ATOM 1432 CB HIS A 112 12.142 -23.774 -26.262 1.00 34.25 C ATOM 1433 CG HIS A 112 13.506 -23.442 -26.783 1.00 30.33 C ATOM 1434 ND1 HIS A 112 13.747 -22.396 -27.648 1.00 2.43 N ATOM 1435 CD2 HIS A 112 14.706 -24.024 -26.554 1.00 72.24 C ATOM 1436 CE1 HIS A 112 15.036 -22.350 -27.931 1.00 3.52 C ATOM 1437 NE2 HIS A 112 15.641 -23.327 -27.279 1.00 3.53 N ATOM 0 H HIS A 112 9.865 -24.596 -25.787 1.00 50.22 H new ATOM 0 HA HIS A 112 10.926 -22.997 -27.853 1.00 1.52 H new ATOM 0 HB2 HIS A 112 11.817 -22.981 -25.588 1.00 34.25 H new ATOM 0 HB3 HIS A 112 12.200 -24.689 -25.673 1.00 34.25 H new ATOM 0 HD2 HIS A 112 14.893 -24.878 -25.919 1.00 72.24 H new ATOM 0 HE1 HIS A 112 15.514 -21.635 -28.584 1.00 3.52 H new ATOM 0 HE2 HIS A 112 16.640 -23.530 -27.309 1.00 3.53 H new ATOM 1445 N GLN A 113 11.586 -26.231 -28.040 1.00 43.20 N ATOM 1446 CA GLN A 113 12.044 -27.282 -28.942 1.00 11.43 C ATOM 1447 C GLN A 113 10.904 -27.771 -29.830 1.00 22.45 C ATOM 1448 O GLN A 113 11.133 -28.433 -30.841 1.00 33.15 O ATOM 1449 CB GLN A 113 12.624 -28.451 -28.144 1.00 72.02 C ATOM 1450 CG GLN A 113 13.885 -28.096 -27.375 1.00 4.54 C ATOM 1451 CD GLN A 113 15.050 -27.762 -28.285 1.00 0.22 C ATOM 1452 OE1 GLN A 113 15.127 -26.507 -28.712 1.00 44.22 O flip ATOM 1453 NE2 GLN A 113 15.872 -28.622 -28.601 1.00 40.33 N flip ATOM 0 H GLN A 113 11.265 -26.565 -27.131 1.00 43.20 H new ATOM 0 HA GLN A 113 12.824 -26.866 -29.580 1.00 11.43 H new ATOM 0 HB2 GLN A 113 11.871 -28.811 -27.444 1.00 72.02 H new ATOM 0 HB3 GLN A 113 12.844 -29.272 -28.826 1.00 72.02 H new ATOM 0 HG2 GLN A 113 13.682 -27.245 -26.725 1.00 4.54 H new ATOM 0 HG3 GLN A 113 14.160 -28.931 -26.731 1.00 4.54 H new ATOM 0 HE21 GLN A 113 15.774 -29.575 -28.250 1.00 40.33 H new ATOM 0 HE22 GLN A 113 16.651 -28.382 -29.214 1.00 40.33 H new ATOM 1462 N ASN A 114 9.676 -27.441 -29.443 1.00 52.54 N ATOM 1463 CA ASN A 114 8.500 -27.848 -30.204 1.00 33.23 C ATOM 1464 C ASN A 114 8.144 -26.803 -31.256 1.00 15.11 C ATOM 1465 O ASN A 114 7.385 -27.075 -32.185 1.00 61.12 O ATOM 1466 CB ASN A 114 7.312 -28.069 -29.265 1.00 50.43 C ATOM 1467 CG ASN A 114 7.166 -29.520 -28.848 1.00 53.30 C ATOM 1468 OD1 ASN A 114 6.311 -30.242 -29.362 1.00 20.13 O ATOM 1469 ND2 ASN A 114 8.003 -29.954 -27.912 1.00 72.15 N ATOM 0 H ASN A 114 9.469 -26.893 -28.608 1.00 52.54 H new ATOM 0 HA ASN A 114 8.732 -28.784 -30.712 1.00 33.23 H new ATOM 0 HB2 ASN A 114 7.434 -27.449 -28.377 1.00 50.43 H new ATOM 0 HB3 ASN A 114 6.397 -27.742 -29.758 1.00 50.43 H new ATOM 0 HD21 ASN A 114 7.953 -30.921 -27.592 1.00 72.15 H new ATOM 0 HD22 ASN A 114 8.696 -29.320 -27.514 1.00 72.15 H new ATOM 1476 N GLY A 115 8.697 -25.604 -31.103 1.00 2.41 N ATOM 1477 CA GLY A 115 8.427 -24.535 -32.047 1.00 33.01 C ATOM 1478 C GLY A 115 7.212 -23.713 -31.660 1.00 25.40 C ATOM 1479 O GLY A 115 6.929 -22.685 -32.276 1.00 11.15 O ATOM 0 H GLY A 115 9.328 -25.353 -30.342 1.00 2.41 H new ATOM 0 HA2 GLY A 115 9.298 -23.883 -32.111 1.00 33.01 H new ATOM 0 HA3 GLY A 115 8.273 -24.960 -33.039 1.00 33.01 H new ATOM 1483 N LEU A 116 6.493 -24.168 -30.640 1.00 60.34 N ATOM 1484 CA LEU A 116 5.301 -23.470 -30.174 1.00 45.42 C ATOM 1485 C LEU A 116 5.672 -22.156 -29.492 1.00 51.00 C ATOM 1486 O LEU A 116 4.826 -21.279 -29.309 1.00 61.40 O ATOM 1487 CB LEU A 116 4.513 -24.354 -29.207 1.00 30.30 C ATOM 1488 CG LEU A 116 3.147 -23.823 -28.772 1.00 11.52 C ATOM 1489 CD1 LEU A 116 2.179 -24.971 -28.529 1.00 3.22 C ATOM 1490 CD2 LEU A 116 3.282 -22.964 -27.522 1.00 42.43 C ATOM 0 H LEU A 116 6.715 -25.017 -30.120 1.00 60.34 H new ATOM 0 HA LEU A 116 4.679 -23.246 -31.041 1.00 45.42 H new ATOM 0 HB2 LEU A 116 4.370 -25.329 -29.673 1.00 30.30 H new ATOM 0 HB3 LEU A 116 5.119 -24.513 -28.315 1.00 30.30 H new ATOM 0 HG LEU A 116 2.748 -23.203 -29.575 1.00 11.52 H new ATOM 0 HD11 LEU A 116 1.212 -24.573 -28.220 1.00 3.22 H new ATOM 0 HD12 LEU A 116 2.058 -25.546 -29.447 1.00 3.22 H new ATOM 0 HD13 LEU A 116 2.572 -25.618 -27.745 1.00 3.22 H new ATOM 0 HD21 LEU A 116 2.300 -22.594 -27.227 1.00 42.43 H new ATOM 0 HD22 LEU A 116 3.703 -23.562 -26.714 1.00 42.43 H new ATOM 0 HD23 LEU A 116 3.940 -22.120 -27.730 1.00 42.43 H new ATOM 1502 N LEU A 117 6.940 -22.027 -29.119 1.00 50.32 N ATOM 1503 CA LEU A 117 7.424 -20.820 -28.459 1.00 52.35 C ATOM 1504 C LEU A 117 7.860 -19.776 -29.483 1.00 61.43 C ATOM 1505 O LEU A 117 7.446 -18.620 -29.420 1.00 0.01 O ATOM 1506 CB LEU A 117 8.591 -21.156 -27.529 1.00 33.02 C ATOM 1507 CG LEU A 117 8.786 -20.222 -26.333 1.00 21.12 C ATOM 1508 CD1 LEU A 117 7.606 -20.323 -25.379 1.00 44.53 C ATOM 1509 CD2 LEU A 117 10.086 -20.546 -25.612 1.00 30.11 C ATOM 0 H LEU A 117 7.652 -22.743 -29.262 1.00 50.32 H new ATOM 0 HA LEU A 117 6.606 -20.405 -27.870 1.00 52.35 H new ATOM 0 HB2 LEU A 117 8.450 -22.170 -27.154 1.00 33.02 H new ATOM 0 HB3 LEU A 117 9.509 -21.158 -28.117 1.00 33.02 H new ATOM 0 HG LEU A 117 8.842 -19.197 -26.701 1.00 21.12 H new ATOM 0 HD11 LEU A 117 7.762 -19.652 -24.535 1.00 44.53 H new ATOM 0 HD12 LEU A 117 6.691 -20.043 -25.901 1.00 44.53 H new ATOM 0 HD13 LEU A 117 7.518 -21.347 -25.017 1.00 44.53 H new ATOM 0 HD21 LEU A 117 10.209 -19.872 -24.764 1.00 30.11 H new ATOM 0 HD22 LEU A 117 10.058 -21.576 -25.256 1.00 30.11 H new ATOM 0 HD23 LEU A 117 10.923 -20.422 -26.299 1.00 30.11 H new ATOM 1521 N GLN A 118 8.697 -20.196 -30.427 1.00 40.32 N ATOM 1522 CA GLN A 118 9.188 -19.297 -31.466 1.00 33.22 C ATOM 1523 C GLN A 118 8.029 -18.661 -32.227 1.00 72.54 C ATOM 1524 O GLN A 118 8.108 -17.507 -32.647 1.00 52.34 O ATOM 1525 CB GLN A 118 10.097 -20.053 -32.436 1.00 72.15 C ATOM 1526 CG GLN A 118 9.339 -20.915 -33.434 1.00 22.25 C ATOM 1527 CD GLN A 118 10.252 -21.565 -34.454 1.00 61.43 C ATOM 1528 OE1 GLN A 118 10.752 -22.671 -34.242 1.00 2.22 O ATOM 1529 NE2 GLN A 118 10.474 -20.881 -35.571 1.00 62.53 N ATOM 0 H GLN A 118 9.049 -21.151 -30.494 1.00 40.32 H new ATOM 0 HA GLN A 118 9.761 -18.505 -30.985 1.00 33.22 H new ATOM 0 HB2 GLN A 118 10.710 -19.335 -32.981 1.00 72.15 H new ATOM 0 HB3 GLN A 118 10.777 -20.685 -31.865 1.00 72.15 H new ATOM 0 HG2 GLN A 118 8.791 -21.689 -32.897 1.00 22.25 H new ATOM 0 HG3 GLN A 118 8.601 -20.302 -33.951 1.00 22.25 H new ATOM 0 HE21 GLN A 118 10.039 -19.968 -35.705 1.00 62.53 H new ATOM 0 HE22 GLN A 118 11.079 -21.269 -36.295 1.00 62.53 H new ATOM 1538 N LYS A 119 6.954 -19.422 -32.401 1.00 63.14 N ATOM 1539 CA LYS A 119 5.777 -18.933 -33.112 1.00 44.10 C ATOM 1540 C LYS A 119 4.972 -17.977 -32.237 1.00 4.02 C ATOM 1541 O LYS A 119 4.208 -17.154 -32.741 1.00 51.12 O ATOM 1542 CB LYS A 119 4.897 -20.106 -33.549 1.00 14.22 C ATOM 1543 CG LYS A 119 4.541 -21.054 -32.417 1.00 20.14 C ATOM 1544 CD LYS A 119 3.068 -20.961 -32.055 1.00 73.42 C ATOM 1545 CE LYS A 119 2.302 -22.193 -32.516 1.00 3.04 C ATOM 1546 NZ LYS A 119 0.831 -22.023 -32.358 1.00 41.04 N ATOM 0 H LYS A 119 6.873 -20.380 -32.060 1.00 63.14 H new ATOM 0 HA LYS A 119 6.115 -18.391 -33.996 1.00 44.10 H new ATOM 0 HB2 LYS A 119 3.978 -19.716 -33.988 1.00 14.22 H new ATOM 0 HB3 LYS A 119 5.412 -20.664 -34.331 1.00 14.22 H new ATOM 0 HG2 LYS A 119 4.781 -22.077 -32.708 1.00 20.14 H new ATOM 0 HG3 LYS A 119 5.147 -20.821 -31.542 1.00 20.14 H new ATOM 0 HD2 LYS A 119 2.964 -20.849 -30.976 1.00 73.42 H new ATOM 0 HD3 LYS A 119 2.636 -20.070 -32.511 1.00 73.42 H new ATOM 0 HE2 LYS A 119 2.534 -22.395 -33.562 1.00 3.04 H new ATOM 0 HE3 LYS A 119 2.631 -23.060 -31.944 1.00 3.04 H new ATOM 0 HZ1 LYS A 119 0.345 -22.883 -32.683 1.00 41.04 H new ATOM 0 HZ2 LYS A 119 0.606 -21.856 -31.356 1.00 41.04 H new ATOM 0 HZ3 LYS A 119 0.513 -21.211 -32.924 1.00 41.04 H new ATOM 1560 N LEU A 120 5.150 -18.091 -30.925 1.00 71.35 N ATOM 1561 CA LEU A 120 4.441 -17.235 -29.980 1.00 72.40 C ATOM 1562 C LEU A 120 5.106 -15.866 -29.880 1.00 73.52 C ATOM 1563 O LEU A 120 4.447 -14.834 -30.010 1.00 44.50 O ATOM 1564 CB LEU A 120 4.393 -17.895 -28.601 1.00 25.11 C ATOM 1565 CG LEU A 120 3.435 -17.267 -27.589 1.00 1.33 C ATOM 1566 CD1 LEU A 120 3.996 -15.952 -27.067 1.00 21.23 C ATOM 1567 CD2 LEU A 120 2.064 -17.053 -28.214 1.00 3.53 C ATOM 0 H LEU A 120 5.779 -18.767 -30.492 1.00 71.35 H new ATOM 0 HA LEU A 120 3.423 -17.097 -30.345 1.00 72.40 H new ATOM 0 HB2 LEU A 120 4.118 -18.942 -28.731 1.00 25.11 H new ATOM 0 HB3 LEU A 120 5.397 -17.880 -28.178 1.00 25.11 H new ATOM 0 HG LEU A 120 3.326 -17.951 -26.748 1.00 1.33 H new ATOM 0 HD11 LEU A 120 3.300 -15.520 -26.348 1.00 21.23 H new ATOM 0 HD12 LEU A 120 4.955 -16.133 -26.581 1.00 21.23 H new ATOM 0 HD13 LEU A 120 4.135 -15.260 -27.898 1.00 21.23 H new ATOM 0 HD21 LEU A 120 1.395 -16.605 -27.479 1.00 3.53 H new ATOM 0 HD22 LEU A 120 2.156 -16.389 -29.074 1.00 3.53 H new ATOM 0 HD23 LEU A 120 1.658 -18.011 -28.538 1.00 3.53 H new ATOM 1579 N LEU A 121 6.414 -15.866 -29.651 1.00 12.21 N ATOM 1580 CA LEU A 121 7.170 -14.623 -29.535 1.00 64.44 C ATOM 1581 C LEU A 121 7.078 -13.809 -30.821 1.00 65.13 C ATOM 1582 O LEU A 121 7.227 -12.588 -30.805 1.00 0.45 O ATOM 1583 CB LEU A 121 8.634 -14.923 -29.210 1.00 63.44 C ATOM 1584 CG LEU A 121 8.881 -15.926 -28.083 1.00 40.13 C ATOM 1585 CD1 LEU A 121 10.350 -15.941 -27.693 1.00 43.01 C ATOM 1586 CD2 LEU A 121 8.010 -15.598 -26.878 1.00 64.53 C ATOM 0 H LEU A 121 6.974 -16.712 -29.542 1.00 12.21 H new ATOM 0 HA LEU A 121 6.738 -14.036 -28.724 1.00 64.44 H new ATOM 0 HB2 LEU A 121 9.116 -15.296 -30.113 1.00 63.44 H new ATOM 0 HB3 LEU A 121 9.127 -13.986 -28.950 1.00 63.44 H new ATOM 0 HG LEU A 121 8.612 -16.920 -28.441 1.00 40.13 H new ATOM 0 HD11 LEU A 121 10.506 -16.661 -26.890 1.00 43.01 H new ATOM 0 HD12 LEU A 121 10.953 -16.224 -28.556 1.00 43.01 H new ATOM 0 HD13 LEU A 121 10.646 -14.949 -27.353 1.00 43.01 H new ATOM 0 HD21 LEU A 121 8.198 -16.322 -26.085 1.00 64.53 H new ATOM 0 HD22 LEU A 121 8.248 -14.597 -26.519 1.00 64.53 H new ATOM 0 HD23 LEU A 121 6.960 -15.641 -27.166 1.00 64.53 H new