USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 862 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 Single : A 18 SER OG : rot 93:sc= 1.28 USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 1.72 (180deg=1.66) USER MOD Single : A 28 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.439 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -82:sc= 1.15 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 0.925 (180deg=0.739) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -98:sc= 1.24 USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 51 MET CE :methyl -156:sc= -2.06 (180deg=-4.24!) USER MOD Single : A 53 CYS SG : rot 86:sc= 1.07 USER MOD Single : A 55 SER OG : rot 77:sc= 0.815 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 75:sc= 0.0518 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 85 SER OG : rot 77:sc= 1.21 USER MOD Single : B 18 SER OG : rot 101:sc= 1.27 USER MOD Single : B 19 LYS NZ :NH3+ 174:sc= 1.69 (180deg=1.62) USER MOD Single : B 28 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1) USER MOD Single : B 29 TYR OH : rot 180:sc= -0.498 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 SER OG : rot -82:sc= 1.24 USER MOD Single : B 36 LYS NZ :NH3+ -168:sc= 0.907 (180deg=0.751) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 46 SER OG : rot -96:sc= 1.23 USER MOD Single : B 48 ASN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : B 51 MET CE :methyl -158:sc= -1.95! (180deg=-4.27!) USER MOD Single : B 53 CYS SG : rot 86:sc= 1.1 USER MOD Single : B 55 SER OG : rot 77:sc= 0.81 USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot 76:sc= 0.0478 USER MOD Single : B 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : B 84 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 85 SER OG : rot 77:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 48 N ALA A 17 -8.462 -6.771 6.921 1.00 0.93 N ATOM 49 CA ALA A 17 -7.226 -6.539 6.198 1.00 0.81 C ATOM 50 C ALA A 17 -6.036 -7.015 7.019 1.00 0.69 C ATOM 51 O ALA A 17 -5.528 -6.287 7.875 1.00 0.70 O ATOM 52 CB ALA A 17 -7.088 -5.068 5.847 1.00 1.09 C ATOM 0 HA ALA A 17 -7.250 -7.110 5.270 1.00 0.81 H new ATOM 0 HB1 ALA A 17 -6.156 -4.909 5.305 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -7.928 -4.763 5.223 1.00 1.09 H new ATOM 0 HB3 ALA A 17 -7.081 -4.475 6.761 1.00 1.09 H new ATOM 58 N SER A 18 -5.614 -8.248 6.778 1.00 0.64 N ATOM 59 CA SER A 18 -4.491 -8.816 7.508 1.00 0.61 C ATOM 60 C SER A 18 -3.178 -8.249 6.982 1.00 0.50 C ATOM 61 O SER A 18 -3.122 -7.761 5.851 1.00 0.45 O ATOM 62 CB SER A 18 -4.493 -10.338 7.382 1.00 0.66 C ATOM 63 OG SER A 18 -5.809 -10.855 7.487 1.00 1.32 O ATOM 0 H SER A 18 -6.030 -8.871 6.086 1.00 0.64 H new ATOM 0 HA SER A 18 -4.591 -8.551 8.561 1.00 0.61 H new ATOM 0 HB2 SER A 18 -4.060 -10.628 6.425 1.00 0.66 H new ATOM 0 HB3 SER A 18 -3.865 -10.772 8.160 1.00 0.66 H new ATOM 0 HG SER A 18 -6.201 -10.937 6.592 1.00 1.32 H new ATOM 69 N LYS A 19 -2.131 -8.320 7.795 1.00 0.50 N ATOM 70 CA LYS A 19 -0.837 -7.741 7.444 1.00 0.43 C ATOM 71 C LYS A 19 -0.365 -8.233 6.075 1.00 0.34 C ATOM 72 O LYS A 19 -0.080 -7.433 5.178 1.00 0.28 O ATOM 73 CB LYS A 19 0.196 -8.092 8.518 1.00 0.54 C ATOM 74 CG LYS A 19 -0.209 -7.654 9.916 1.00 0.84 C ATOM 75 CD LYS A 19 0.739 -8.200 10.972 1.00 1.12 C ATOM 76 CE LYS A 19 0.288 -7.826 12.376 1.00 1.73 C ATOM 77 NZ LYS A 19 0.371 -6.363 12.621 1.00 2.10 N ATOM 0 H LYS A 19 -2.152 -8.775 8.707 1.00 0.50 H new ATOM 0 HA LYS A 19 -0.948 -6.658 7.391 1.00 0.43 H new ATOM 0 HB2 LYS A 19 0.358 -9.170 8.516 1.00 0.54 H new ATOM 0 HB3 LYS A 19 1.148 -7.626 8.261 1.00 0.54 H new ATOM 0 HG2 LYS A 19 -0.223 -6.565 9.967 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -1.223 -7.996 10.125 1.00 0.84 H new ATOM 0 HD2 LYS A 19 0.796 -9.285 10.884 1.00 1.12 H new ATOM 0 HD3 LYS A 19 1.743 -7.813 10.796 1.00 1.12 H new ATOM 0 HE2 LYS A 19 -0.738 -8.160 12.527 1.00 1.73 H new ATOM 0 HE3 LYS A 19 0.905 -8.350 13.106 1.00 1.73 H new ATOM 0 HZ1 LYS A 19 -0.025 -6.145 13.558 1.00 2.10 H new ATOM 0 HZ2 LYS A 19 1.366 -6.061 12.586 1.00 2.10 H new ATOM 0 HZ3 LYS A 19 -0.170 -5.857 11.891 1.00 2.10 H new ATOM 91 N GLU A 20 -0.321 -9.553 5.915 1.00 0.41 N ATOM 92 CA GLU A 20 0.150 -10.169 4.678 1.00 0.41 C ATOM 93 C GLU A 20 -0.718 -9.769 3.481 1.00 0.34 C ATOM 94 O GLU A 20 -0.208 -9.559 2.383 1.00 0.30 O ATOM 95 CB GLU A 20 0.175 -11.694 4.821 1.00 0.57 C ATOM 96 CG GLU A 20 -1.183 -12.302 5.139 1.00 0.64 C ATOM 97 CD GLU A 20 -1.137 -13.810 5.239 1.00 0.95 C ATOM 98 OE1 GLU A 20 -0.843 -14.329 6.336 1.00 1.49 O ATOM 99 OE2 GLU A 20 -1.400 -14.485 4.224 1.00 1.57 O ATOM 0 H GLU A 20 -0.608 -10.220 6.631 1.00 0.41 H new ATOM 0 HA GLU A 20 1.161 -9.807 4.494 1.00 0.41 H new ATOM 0 HB2 GLU A 20 0.551 -12.130 3.896 1.00 0.57 H new ATOM 0 HB3 GLU A 20 0.878 -11.964 5.609 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -1.550 -11.890 6.079 1.00 0.64 H new ATOM 0 HG3 GLU A 20 -1.895 -12.015 4.366 1.00 0.64 H new ATOM 106 N GLU A 21 -2.021 -9.645 3.709 1.00 0.37 N ATOM 107 CA GLU A 21 -2.966 -9.343 2.640 1.00 0.39 C ATOM 108 C GLU A 21 -2.743 -7.940 2.095 1.00 0.32 C ATOM 109 O GLU A 21 -2.768 -7.718 0.885 1.00 0.34 O ATOM 110 CB GLU A 21 -4.401 -9.473 3.145 1.00 0.50 C ATOM 111 CG GLU A 21 -4.740 -10.859 3.662 1.00 0.61 C ATOM 112 CD GLU A 21 -6.203 -11.005 4.020 1.00 0.91 C ATOM 113 OE1 GLU A 21 -6.624 -10.462 5.061 1.00 1.54 O ATOM 114 OE2 GLU A 21 -6.942 -11.672 3.261 1.00 1.49 O ATOM 0 H GLU A 21 -2.448 -9.750 4.629 1.00 0.37 H new ATOM 0 HA GLU A 21 -2.800 -10.060 1.836 1.00 0.39 H new ATOM 0 HB2 GLU A 21 -4.564 -8.747 3.942 1.00 0.50 H new ATOM 0 HB3 GLU A 21 -5.086 -9.218 2.337 1.00 0.50 H new ATOM 0 HG2 GLU A 21 -4.479 -11.599 2.905 1.00 0.61 H new ATOM 0 HG3 GLU A 21 -4.132 -11.074 4.541 1.00 0.61 H new ATOM 121 N ILE A 22 -2.523 -7.000 3.000 1.00 0.30 N ATOM 122 CA ILE A 22 -2.284 -5.620 2.619 1.00 0.28 C ATOM 123 C ILE A 22 -0.969 -5.503 1.865 1.00 0.24 C ATOM 124 O ILE A 22 -0.909 -4.901 0.793 1.00 0.26 O ATOM 125 CB ILE A 22 -2.254 -4.700 3.852 1.00 0.30 C ATOM 126 CG1 ILE A 22 -3.539 -4.875 4.658 1.00 0.36 C ATOM 127 CG2 ILE A 22 -2.079 -3.247 3.429 1.00 0.31 C ATOM 128 CD1 ILE A 22 -3.522 -4.164 5.987 1.00 0.44 C ATOM 0 H ILE A 22 -2.505 -7.170 4.006 1.00 0.30 H new ATOM 0 HA ILE A 22 -3.103 -5.306 1.972 1.00 0.28 H new ATOM 0 HB ILE A 22 -1.405 -4.974 4.479 1.00 0.30 H new ATOM 0 HG12 ILE A 22 -4.379 -4.507 4.070 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -3.710 -5.938 4.827 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.060 -2.610 4.314 1.00 0.31 H new ATOM 0 HG22 ILE A 22 -1.142 -3.137 2.883 1.00 0.31 H new ATOM 0 HG23 ILE A 22 -2.910 -2.952 2.788 1.00 0.31 H new ATOM 0 HD11 ILE A 22 -4.467 -4.334 6.503 1.00 0.44 H new ATOM 0 HD12 ILE A 22 -2.703 -4.549 6.595 1.00 0.44 H new ATOM 0 HD13 ILE A 22 -3.383 -3.095 5.826 1.00 0.44 H new ATOM 135 N ALA A 23 0.074 -6.108 2.423 1.00 0.20 N ATOM 136 CA ALA A 23 1.387 -6.112 1.795 1.00 0.19 C ATOM 137 C ALA A 23 1.314 -6.722 0.400 1.00 0.20 C ATOM 138 O ALA A 23 1.952 -6.236 -0.533 1.00 0.20 O ATOM 139 CB ALA A 23 2.381 -6.875 2.654 1.00 0.20 C ATOM 0 H ALA A 23 0.033 -6.604 3.313 1.00 0.20 H new ATOM 0 HA ALA A 23 1.726 -5.080 1.701 1.00 0.19 H new ATOM 0 HB1 ALA A 23 3.358 -6.869 2.171 1.00 0.20 H new ATOM 0 HB2 ALA A 23 2.456 -6.400 3.632 1.00 0.20 H new ATOM 0 HB3 ALA A 23 2.042 -7.904 2.776 1.00 0.20 H new ATOM 145 N ALA A 24 0.516 -7.777 0.273 1.00 0.22 N ATOM 146 CA ALA A 24 0.303 -8.446 -1.003 1.00 0.25 C ATOM 147 C ALA A 24 -0.215 -7.470 -2.055 1.00 0.24 C ATOM 148 O ALA A 24 0.308 -7.400 -3.166 1.00 0.25 O ATOM 149 CB ALA A 24 -0.674 -9.597 -0.823 1.00 0.31 C ATOM 0 H ALA A 24 0.001 -8.191 1.050 1.00 0.22 H new ATOM 0 HA ALA A 24 1.259 -8.837 -1.352 1.00 0.25 H new ATOM 0 HB1 ALA A 24 -0.830 -10.095 -1.780 1.00 0.31 H new ATOM 0 HB2 ALA A 24 -0.268 -10.310 -0.105 1.00 0.31 H new ATOM 0 HB3 ALA A 24 -1.625 -9.213 -0.454 1.00 0.31 H new ATOM 155 N LEU A 25 -1.236 -6.709 -1.693 1.00 0.23 N ATOM 156 CA LEU A 25 -1.813 -5.727 -2.600 1.00 0.23 C ATOM 157 C LEU A 25 -0.825 -4.606 -2.890 1.00 0.22 C ATOM 158 O LEU A 25 -0.720 -4.138 -4.025 1.00 0.25 O ATOM 159 CB LEU A 25 -3.093 -5.145 -2.008 1.00 0.26 C ATOM 160 CG LEU A 25 -4.273 -6.110 -1.927 1.00 0.36 C ATOM 161 CD1 LEU A 25 -5.436 -5.450 -1.210 1.00 0.46 C ATOM 162 CD2 LEU A 25 -4.692 -6.559 -3.320 1.00 0.44 C ATOM 0 H LEU A 25 -1.683 -6.752 -0.777 1.00 0.23 H new ATOM 0 HA LEU A 25 -2.049 -6.233 -3.536 1.00 0.23 H new ATOM 0 HB2 LEU A 25 -2.876 -4.778 -1.005 1.00 0.26 H new ATOM 0 HB3 LEU A 25 -3.390 -4.283 -2.605 1.00 0.26 H new ATOM 0 HG LEU A 25 -3.967 -6.990 -1.362 1.00 0.36 H new ATOM 0 HD11 LEU A 25 -6.273 -6.146 -1.157 1.00 0.46 H new ATOM 0 HD12 LEU A 25 -5.131 -5.172 -0.201 1.00 0.46 H new ATOM 0 HD13 LEU A 25 -5.741 -4.557 -1.756 1.00 0.46 H new ATOM 0 HD21 LEU A 25 -5.534 -7.246 -3.243 1.00 0.44 H new ATOM 0 HD22 LEU A 25 -4.985 -5.690 -3.909 1.00 0.44 H new ATOM 0 HD23 LEU A 25 -3.857 -7.062 -3.807 1.00 0.44 H new ATOM 174 N ILE A 26 -0.099 -4.190 -1.862 1.00 0.21 N ATOM 175 CA ILE A 26 0.873 -3.114 -1.990 1.00 0.22 C ATOM 176 C ILE A 26 1.990 -3.487 -2.965 1.00 0.20 C ATOM 177 O ILE A 26 2.284 -2.733 -3.897 1.00 0.23 O ATOM 178 CB ILE A 26 1.473 -2.742 -0.615 1.00 0.22 C ATOM 179 CG1 ILE A 26 0.384 -2.163 0.295 1.00 0.26 C ATOM 180 CG2 ILE A 26 2.616 -1.750 -0.775 1.00 0.25 C ATOM 181 CD1 ILE A 26 0.860 -1.854 1.698 1.00 0.27 C ATOM 0 H ILE A 26 -0.166 -4.585 -0.924 1.00 0.21 H new ATOM 0 HA ILE A 26 0.346 -2.246 -2.387 1.00 0.22 H new ATOM 0 HB ILE A 26 1.872 -3.646 -0.155 1.00 0.22 H new ATOM 0 HG12 ILE A 26 -0.005 -1.250 -0.156 1.00 0.26 H new ATOM 0 HG13 ILE A 26 -0.444 -2.870 0.350 1.00 0.26 H new ATOM 0 HG21 ILE A 26 3.023 -1.503 0.205 1.00 0.25 H new ATOM 0 HG22 ILE A 26 3.398 -2.193 -1.391 1.00 0.25 H new ATOM 0 HG23 ILE A 26 2.246 -0.843 -1.254 1.00 0.25 H new ATOM 0 HD11 ILE A 26 0.034 -1.448 2.281 1.00 0.27 H new ATOM 0 HD12 ILE A 26 1.222 -2.768 2.169 1.00 0.27 H new ATOM 0 HD13 ILE A 26 1.668 -1.123 1.656 1.00 0.27 H new ATOM 188 N VAL A 27 2.596 -4.655 -2.770 1.00 0.18 N ATOM 189 CA VAL A 27 3.689 -5.087 -3.635 1.00 0.20 C ATOM 190 C VAL A 27 3.189 -5.367 -5.047 1.00 0.22 C ATOM 191 O VAL A 27 3.882 -5.082 -6.023 1.00 0.24 O ATOM 192 CB VAL A 27 4.433 -6.332 -3.090 1.00 0.21 C ATOM 193 CG1 VAL A 27 5.061 -6.033 -1.740 1.00 0.21 C ATOM 194 CG2 VAL A 27 3.513 -7.541 -2.993 1.00 0.21 C ATOM 0 H VAL A 27 2.352 -5.313 -2.029 1.00 0.18 H new ATOM 0 HA VAL A 27 4.401 -4.262 -3.656 1.00 0.20 H new ATOM 0 HB VAL A 27 5.224 -6.575 -3.799 1.00 0.21 H new ATOM 0 HG11 VAL A 27 5.578 -6.920 -1.375 1.00 0.21 H new ATOM 0 HG12 VAL A 27 5.773 -5.214 -1.843 1.00 0.21 H new ATOM 0 HG13 VAL A 27 4.283 -5.750 -1.031 1.00 0.21 H new ATOM 0 HG21 VAL A 27 4.072 -8.393 -2.607 1.00 0.21 H new ATOM 0 HG22 VAL A 27 2.685 -7.315 -2.321 1.00 0.21 H new ATOM 0 HG23 VAL A 27 3.122 -7.781 -3.982 1.00 0.21 H new ATOM 198 N ASN A 28 1.974 -5.897 -5.159 1.00 0.26 N ATOM 199 CA ASN A 28 1.405 -6.206 -6.465 1.00 0.32 C ATOM 200 C ASN A 28 1.056 -4.922 -7.209 1.00 0.27 C ATOM 201 O ASN A 28 1.126 -4.867 -8.436 1.00 0.29 O ATOM 202 CB ASN A 28 0.165 -7.095 -6.334 1.00 0.45 C ATOM 203 CG ASN A 28 -0.301 -7.635 -7.676 1.00 0.68 C ATOM 204 OD1 ASN A 28 0.498 -7.825 -8.596 1.00 1.59 O ATOM 205 ND2 ASN A 28 -1.592 -7.902 -7.796 1.00 0.86 N ATOM 0 H ASN A 28 1.370 -6.119 -4.368 1.00 0.26 H new ATOM 0 HA ASN A 28 2.155 -6.754 -7.036 1.00 0.32 H new ATOM 0 HB2 ASN A 28 0.387 -7.928 -5.667 1.00 0.45 H new ATOM 0 HB3 ASN A 28 -0.642 -6.524 -5.874 1.00 0.45 H new ATOM 0 HD21 ASN A 28 -1.956 -8.278 -8.672 1.00 0.86 H new ATOM 0 HD22 ASN A 28 -2.223 -7.732 -7.013 1.00 0.86 H new ATOM 212 N TYR A 29 0.688 -3.883 -6.465 1.00 0.25 N ATOM 213 CA TYR A 29 0.418 -2.586 -7.070 1.00 0.24 C ATOM 214 C TYR A 29 1.699 -2.004 -7.650 1.00 0.19 C ATOM 215 O TYR A 29 1.744 -1.637 -8.820 1.00 0.19 O ATOM 216 CB TYR A 29 -0.196 -1.607 -6.062 1.00 0.29 C ATOM 217 CG TYR A 29 -0.389 -0.216 -6.631 1.00 0.32 C ATOM 218 CD1 TYR A 29 -1.131 -0.020 -7.789 1.00 1.23 C ATOM 219 CD2 TYR A 29 0.189 0.895 -6.030 1.00 1.20 C ATOM 220 CE1 TYR A 29 -1.296 1.240 -8.330 1.00 1.25 C ATOM 221 CE2 TYR A 29 0.031 2.160 -6.566 1.00 1.22 C ATOM 222 CZ TYR A 29 -0.713 2.326 -7.717 1.00 0.43 C ATOM 223 OH TYR A 29 -0.867 3.582 -8.263 1.00 0.50 O ATOM 0 H TYR A 29 0.571 -3.914 -5.452 1.00 0.25 H new ATOM 0 HA TYR A 29 -0.307 -2.737 -7.870 1.00 0.24 H new ATOM 0 HB2 TYR A 29 -1.159 -1.994 -5.728 1.00 0.29 H new ATOM 0 HB3 TYR A 29 0.446 -1.548 -5.183 1.00 0.29 H new ATOM 0 HD1 TYR A 29 -1.588 -0.869 -8.276 1.00 1.23 H new ATOM 0 HD2 TYR A 29 0.771 0.769 -5.129 1.00 1.20 H new ATOM 0 HE1 TYR A 29 -1.879 1.373 -9.229 1.00 1.25 H new ATOM 0 HE2 TYR A 29 0.487 3.014 -6.087 1.00 1.22 H new ATOM 0 HH TYR A 29 -0.395 4.239 -7.710 1.00 0.50 H new ATOM 233 N PHE A 30 2.745 -1.948 -6.837 1.00 0.16 N ATOM 234 CA PHE A 30 4.032 -1.434 -7.293 1.00 0.16 C ATOM 235 C PHE A 30 4.555 -2.261 -8.467 1.00 0.18 C ATOM 236 O PHE A 30 5.127 -1.722 -9.416 1.00 0.21 O ATOM 237 CB PHE A 30 5.058 -1.443 -6.159 1.00 0.19 C ATOM 238 CG PHE A 30 4.745 -0.518 -5.011 1.00 0.19 C ATOM 239 CD1 PHE A 30 4.004 0.639 -5.201 1.00 1.18 C ATOM 240 CD2 PHE A 30 5.216 -0.804 -3.740 1.00 1.19 C ATOM 241 CE1 PHE A 30 3.738 1.489 -4.145 1.00 1.17 C ATOM 242 CE2 PHE A 30 4.952 0.044 -2.680 1.00 1.22 C ATOM 243 CZ PHE A 30 4.213 1.190 -2.884 1.00 0.25 C ATOM 0 H PHE A 30 2.730 -2.250 -5.863 1.00 0.16 H new ATOM 0 HA PHE A 30 3.882 -0.405 -7.620 1.00 0.16 H new ATOM 0 HB2 PHE A 30 5.144 -2.459 -5.774 1.00 0.19 H new ATOM 0 HB3 PHE A 30 6.032 -1.174 -6.568 1.00 0.19 H new ATOM 0 HD1 PHE A 30 3.631 0.878 -6.186 1.00 1.18 H new ATOM 0 HD2 PHE A 30 5.796 -1.700 -3.575 1.00 1.19 H new ATOM 0 HE1 PHE A 30 3.159 2.386 -4.306 1.00 1.17 H new ATOM 0 HE2 PHE A 30 5.324 -0.191 -1.694 1.00 1.22 H new ATOM 0 HZ PHE A 30 4.006 1.853 -2.057 1.00 0.25 H new ATOM 253 N SER A 31 4.336 -3.568 -8.398 1.00 0.21 N ATOM 254 CA SER A 31 4.757 -4.479 -9.453 1.00 0.27 C ATOM 255 C SER A 31 4.025 -4.171 -10.760 1.00 0.25 C ATOM 256 O SER A 31 4.631 -4.153 -11.830 1.00 0.27 O ATOM 257 CB SER A 31 4.501 -5.928 -9.024 1.00 0.35 C ATOM 258 OG SER A 31 4.979 -6.848 -9.990 1.00 1.15 O ATOM 0 H SER A 31 3.865 -4.023 -7.616 1.00 0.21 H new ATOM 0 HA SER A 31 5.825 -4.344 -9.624 1.00 0.27 H new ATOM 0 HB2 SER A 31 4.989 -6.117 -8.068 1.00 0.35 H new ATOM 0 HB3 SER A 31 3.432 -6.080 -8.873 1.00 0.35 H new ATOM 0 HG SER A 31 4.802 -7.763 -9.686 1.00 1.15 H new ATOM 264 N SER A 32 2.729 -3.903 -10.670 1.00 0.27 N ATOM 265 CA SER A 32 1.937 -3.614 -11.856 1.00 0.30 C ATOM 266 C SER A 32 2.207 -2.196 -12.368 1.00 0.28 C ATOM 267 O SER A 32 1.955 -1.890 -13.536 1.00 0.35 O ATOM 268 CB SER A 32 0.448 -3.828 -11.568 1.00 0.40 C ATOM 269 OG SER A 32 0.070 -3.247 -10.333 1.00 0.99 O ATOM 0 H SER A 32 2.207 -3.880 -9.794 1.00 0.27 H new ATOM 0 HA SER A 32 2.233 -4.306 -12.644 1.00 0.30 H new ATOM 0 HB2 SER A 32 -0.145 -3.394 -12.373 1.00 0.40 H new ATOM 0 HB3 SER A 32 0.229 -4.896 -11.551 1.00 0.40 H new ATOM 0 HG SER A 32 0.295 -3.859 -9.601 1.00 0.99 H new ATOM 275 N ILE A 33 2.723 -1.335 -11.493 1.00 0.24 N ATOM 276 CA ILE A 33 3.137 0.005 -11.896 1.00 0.26 C ATOM 277 C ILE A 33 4.317 -0.077 -12.854 1.00 0.26 C ATOM 278 O ILE A 33 4.272 0.454 -13.964 1.00 0.31 O ATOM 279 CB ILE A 33 3.548 0.879 -10.688 1.00 0.30 C ATOM 280 CG1 ILE A 33 2.357 1.156 -9.777 1.00 0.30 C ATOM 281 CG2 ILE A 33 4.157 2.191 -11.160 1.00 0.43 C ATOM 282 CD1 ILE A 33 2.703 2.044 -8.601 1.00 0.34 C ATOM 0 H ILE A 33 2.864 -1.541 -10.504 1.00 0.24 H new ATOM 0 HA ILE A 33 2.277 0.467 -12.382 1.00 0.26 H new ATOM 0 HB ILE A 33 4.295 0.326 -10.118 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.564 1.626 -10.359 1.00 0.30 H new ATOM 0 HG13 ILE A 33 1.963 0.210 -9.407 1.00 0.30 H new ATOM 0 HG21 ILE A 33 4.440 2.792 -10.296 1.00 0.43 H new ATOM 0 HG22 ILE A 33 5.041 1.985 -11.764 1.00 0.43 H new ATOM 0 HG23 ILE A 33 3.427 2.736 -11.758 1.00 0.43 H new ATOM 0 HD11 ILE A 33 1.814 2.203 -7.991 1.00 0.34 H new ATOM 0 HD12 ILE A 33 3.475 1.565 -7.998 1.00 0.34 H new ATOM 0 HD13 ILE A 33 3.070 3.004 -8.965 1.00 0.34 H new ATOM 289 N VAL A 34 5.368 -0.761 -12.422 1.00 0.24 N ATOM 290 CA VAL A 34 6.584 -0.878 -13.215 1.00 0.31 C ATOM 291 C VAL A 34 6.365 -1.795 -14.414 1.00 0.37 C ATOM 292 O VAL A 34 7.094 -1.730 -15.400 1.00 0.47 O ATOM 293 CB VAL A 34 7.766 -1.400 -12.368 1.00 0.34 C ATOM 294 CG1 VAL A 34 8.019 -0.482 -11.184 1.00 0.35 C ATOM 295 CG2 VAL A 34 7.515 -2.822 -11.890 1.00 0.33 C ATOM 0 H VAL A 34 5.403 -1.244 -11.524 1.00 0.24 H new ATOM 0 HA VAL A 34 6.832 0.122 -13.572 1.00 0.31 H new ATOM 0 HB VAL A 34 8.653 -1.408 -13.001 1.00 0.34 H new ATOM 0 HG11 VAL A 34 8.855 -0.865 -10.599 1.00 0.35 H new ATOM 0 HG12 VAL A 34 8.257 0.519 -11.544 1.00 0.35 H new ATOM 0 HG13 VAL A 34 7.127 -0.440 -10.559 1.00 0.35 H new ATOM 0 HG21 VAL A 34 8.364 -3.162 -11.297 1.00 0.33 H new ATOM 0 HG22 VAL A 34 6.613 -2.847 -11.279 1.00 0.33 H new ATOM 0 HG23 VAL A 34 7.388 -3.478 -12.751 1.00 0.33 H new ATOM 299 N GLU A 35 5.343 -2.634 -14.320 1.00 0.35 N ATOM 300 CA GLU A 35 5.000 -3.566 -15.384 1.00 0.46 C ATOM 301 C GLU A 35 4.591 -2.822 -16.654 1.00 0.50 C ATOM 302 O GLU A 35 5.098 -3.104 -17.736 1.00 0.61 O ATOM 303 CB GLU A 35 3.870 -4.481 -14.910 1.00 0.50 C ATOM 304 CG GLU A 35 3.461 -5.542 -15.914 1.00 0.70 C ATOM 305 CD GLU A 35 2.427 -6.490 -15.347 1.00 1.49 C ATOM 306 OE1 GLU A 35 1.233 -6.124 -15.307 1.00 2.22 O ATOM 307 OE2 GLU A 35 2.802 -7.605 -14.929 1.00 2.19 O ATOM 0 H GLU A 35 4.730 -2.688 -13.506 1.00 0.35 H new ATOM 0 HA GLU A 35 5.877 -4.168 -15.622 1.00 0.46 H new ATOM 0 HB2 GLU A 35 4.179 -4.971 -13.987 1.00 0.50 H new ATOM 0 HB3 GLU A 35 3.000 -3.870 -14.671 1.00 0.50 H new ATOM 0 HG2 GLU A 35 3.061 -5.061 -16.807 1.00 0.70 H new ATOM 0 HG3 GLU A 35 4.340 -6.107 -16.223 1.00 0.70 H new ATOM 314 N LYS A 36 3.693 -1.854 -16.514 1.00 0.47 N ATOM 315 CA LYS A 36 3.201 -1.107 -17.666 1.00 0.54 C ATOM 316 C LYS A 36 3.793 0.300 -17.721 1.00 0.50 C ATOM 317 O LYS A 36 3.280 1.177 -18.416 1.00 0.60 O ATOM 318 CB LYS A 36 1.672 -1.042 -17.651 1.00 0.67 C ATOM 319 CG LYS A 36 1.092 -0.595 -16.321 1.00 0.71 C ATOM 320 CD LYS A 36 -0.420 -0.468 -16.390 1.00 0.97 C ATOM 321 CE LYS A 36 -1.024 -0.201 -15.019 1.00 1.42 C ATOM 322 NZ LYS A 36 -0.801 -1.336 -14.086 1.00 2.08 N ATOM 0 H LYS A 36 3.293 -1.569 -15.620 1.00 0.47 H new ATOM 0 HA LYS A 36 3.523 -1.637 -18.562 1.00 0.54 H new ATOM 0 HB2 LYS A 36 1.339 -0.357 -18.431 1.00 0.67 H new ATOM 0 HB3 LYS A 36 1.273 -2.026 -17.899 1.00 0.67 H new ATOM 0 HG2 LYS A 36 1.363 -1.311 -15.545 1.00 0.71 H new ATOM 0 HG3 LYS A 36 1.526 0.363 -16.037 1.00 0.71 H new ATOM 0 HD2 LYS A 36 -0.687 0.341 -17.069 1.00 0.97 H new ATOM 0 HD3 LYS A 36 -0.844 -1.383 -16.803 1.00 0.97 H new ATOM 0 HE2 LYS A 36 -0.587 0.705 -14.600 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -2.094 -0.020 -15.122 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -1.379 -1.202 -13.232 1.00 2.08 H new ATOM 0 HZ2 LYS A 36 -1.071 -2.226 -14.551 1.00 2.08 H new ATOM 0 HZ3 LYS A 36 0.204 -1.375 -13.821 1.00 2.08 H new ATOM 336 N LYS A 37 4.875 0.491 -16.966 1.00 0.47 N ATOM 337 CA LYS A 37 5.604 1.760 -16.913 1.00 0.54 C ATOM 338 C LYS A 37 4.679 2.920 -16.535 1.00 0.59 C ATOM 339 O LYS A 37 4.394 3.803 -17.339 1.00 0.75 O ATOM 340 CB LYS A 37 6.305 2.033 -18.248 1.00 0.71 C ATOM 341 CG LYS A 37 7.325 3.158 -18.186 1.00 1.18 C ATOM 342 CD LYS A 37 8.112 3.265 -19.481 1.00 1.41 C ATOM 343 CE LYS A 37 9.153 4.369 -19.414 1.00 1.98 C ATOM 344 NZ LYS A 37 9.976 4.429 -20.651 1.00 2.60 N ATOM 0 H LYS A 37 5.273 -0.235 -16.370 1.00 0.47 H new ATOM 0 HA LYS A 37 6.363 1.678 -16.135 1.00 0.54 H new ATOM 0 HB2 LYS A 37 6.803 1.122 -18.579 1.00 0.71 H new ATOM 0 HB3 LYS A 37 5.554 2.277 -18.999 1.00 0.71 H new ATOM 0 HG2 LYS A 37 6.816 4.102 -17.989 1.00 1.18 H new ATOM 0 HG3 LYS A 37 8.010 2.985 -17.356 1.00 1.18 H new ATOM 0 HD2 LYS A 37 8.602 2.314 -19.689 1.00 1.41 H new ATOM 0 HD3 LYS A 37 7.428 3.459 -20.308 1.00 1.41 H new ATOM 0 HE2 LYS A 37 8.657 5.327 -19.261 1.00 1.98 H new ATOM 0 HE3 LYS A 37 9.802 4.205 -18.554 1.00 1.98 H new ATOM 0 HZ1 LYS A 37 10.675 5.195 -20.566 1.00 2.60 H new ATOM 0 HZ2 LYS A 37 10.470 3.523 -20.784 1.00 2.60 H new ATOM 0 HZ3 LYS A 37 9.360 4.611 -21.469 1.00 2.60 H new ATOM 358 N GLU A 38 4.216 2.903 -15.295 1.00 0.54 N ATOM 359 CA GLU A 38 3.344 3.949 -14.779 1.00 0.68 C ATOM 360 C GLU A 38 4.112 4.839 -13.824 1.00 0.69 C ATOM 361 O GLU A 38 3.547 5.718 -13.170 1.00 1.03 O ATOM 362 CB GLU A 38 2.138 3.340 -14.065 1.00 0.79 C ATOM 363 CG GLU A 38 0.995 2.988 -14.995 1.00 1.36 C ATOM 364 CD GLU A 38 0.442 4.204 -15.698 1.00 1.41 C ATOM 365 OE1 GLU A 38 -0.014 5.137 -15.005 1.00 1.86 O ATOM 366 OE2 GLU A 38 0.475 4.241 -16.945 1.00 2.12 O ATOM 0 H GLU A 38 4.432 2.169 -14.621 1.00 0.54 H new ATOM 0 HA GLU A 38 2.987 4.546 -15.618 1.00 0.68 H new ATOM 0 HB2 GLU A 38 2.455 2.441 -13.537 1.00 0.79 H new ATOM 0 HB3 GLU A 38 1.780 4.042 -13.312 1.00 0.79 H new ATOM 0 HG2 GLU A 38 1.340 2.267 -15.736 1.00 1.36 H new ATOM 0 HG3 GLU A 38 0.200 2.506 -14.426 1.00 1.36 H new ATOM 373 N ILE A 39 5.402 4.583 -13.737 1.00 0.42 N ATOM 374 CA ILE A 39 6.276 5.342 -12.870 1.00 0.43 C ATOM 375 C ILE A 39 7.583 5.657 -13.591 1.00 0.48 C ATOM 376 O ILE A 39 7.922 5.007 -14.585 1.00 0.51 O ATOM 377 CB ILE A 39 6.550 4.553 -11.572 1.00 0.38 C ATOM 378 CG1 ILE A 39 7.080 5.477 -10.475 1.00 0.45 C ATOM 379 CG2 ILE A 39 7.522 3.408 -11.828 1.00 0.36 C ATOM 380 CD1 ILE A 39 7.155 4.815 -9.120 1.00 0.47 C ATOM 0 H ILE A 39 5.871 3.846 -14.264 1.00 0.42 H new ATOM 0 HA ILE A 39 5.789 6.281 -12.608 1.00 0.43 H new ATOM 0 HB ILE A 39 5.606 4.127 -11.231 1.00 0.38 H new ATOM 0 HG12 ILE A 39 8.073 5.829 -10.755 1.00 0.45 H new ATOM 0 HG13 ILE A 39 6.438 6.355 -10.408 1.00 0.45 H new ATOM 0 HG21 ILE A 39 7.700 2.867 -10.899 1.00 0.36 H new ATOM 0 HG22 ILE A 39 7.098 2.729 -12.568 1.00 0.36 H new ATOM 0 HG23 ILE A 39 8.465 3.808 -12.201 1.00 0.36 H new ATOM 0 HD11 ILE A 39 7.539 5.526 -8.388 1.00 0.47 H new ATOM 0 HD12 ILE A 39 6.160 4.487 -8.820 1.00 0.47 H new ATOM 0 HD13 ILE A 39 7.820 3.953 -9.172 1.00 0.47 H new ATOM 387 N SER A 40 8.293 6.666 -13.107 1.00 0.54 N ATOM 388 CA SER A 40 9.560 7.067 -13.695 1.00 0.62 C ATOM 389 C SER A 40 10.617 5.978 -13.505 1.00 0.53 C ATOM 390 O SER A 40 10.532 5.203 -12.549 1.00 0.48 O ATOM 391 CB SER A 40 10.029 8.375 -13.058 1.00 0.76 C ATOM 392 OG SER A 40 8.980 9.331 -13.035 1.00 1.82 O ATOM 0 H SER A 40 8.009 7.225 -12.302 1.00 0.54 H new ATOM 0 HA SER A 40 9.417 7.217 -14.765 1.00 0.62 H new ATOM 0 HB2 SER A 40 10.376 8.186 -12.042 1.00 0.76 H new ATOM 0 HB3 SER A 40 10.877 8.773 -13.616 1.00 0.76 H new ATOM 0 HG SER A 40 9.301 10.159 -12.622 1.00 1.82 H new ATOM 398 N GLU A 41 11.596 5.915 -14.404 1.00 0.59 N ATOM 399 CA GLU A 41 12.624 4.871 -14.357 1.00 0.60 C ATOM 400 C GLU A 41 13.265 4.782 -12.974 1.00 0.49 C ATOM 401 O GLU A 41 13.389 3.692 -12.404 1.00 0.46 O ATOM 402 CB GLU A 41 13.705 5.135 -15.404 1.00 0.78 C ATOM 403 CG GLU A 41 13.188 5.163 -16.832 1.00 1.07 C ATOM 404 CD GLU A 41 14.289 5.414 -17.837 1.00 1.43 C ATOM 405 OE1 GLU A 41 14.700 6.580 -17.991 1.00 1.99 O ATOM 406 OE2 GLU A 41 14.762 4.448 -18.468 1.00 2.19 O ATOM 0 H GLU A 41 11.702 6.574 -15.176 1.00 0.59 H new ATOM 0 HA GLU A 41 12.135 3.921 -14.573 1.00 0.60 H new ATOM 0 HB2 GLU A 41 14.185 6.088 -15.183 1.00 0.78 H new ATOM 0 HB3 GLU A 41 14.472 4.365 -15.321 1.00 0.78 H new ATOM 0 HG2 GLU A 41 12.702 4.214 -17.059 1.00 1.07 H new ATOM 0 HG3 GLU A 41 12.429 5.940 -16.926 1.00 1.07 H new ATOM 413 N ASP A 42 13.649 5.938 -12.436 1.00 0.52 N ATOM 414 CA ASP A 42 14.269 6.010 -11.114 1.00 0.52 C ATOM 415 C ASP A 42 13.359 5.401 -10.059 1.00 0.43 C ATOM 416 O ASP A 42 13.796 4.596 -9.238 1.00 0.47 O ATOM 417 CB ASP A 42 14.580 7.461 -10.731 1.00 0.62 C ATOM 418 CG ASP A 42 15.609 8.103 -11.636 1.00 1.50 C ATOM 419 OD1 ASP A 42 16.789 7.700 -11.588 1.00 2.30 O ATOM 420 OD2 ASP A 42 15.240 9.015 -12.406 1.00 2.21 O ATOM 0 H ASP A 42 13.541 6.841 -12.897 1.00 0.52 H new ATOM 0 HA ASP A 42 15.200 5.445 -11.159 1.00 0.52 H new ATOM 0 HB2 ASP A 42 13.660 8.045 -10.764 1.00 0.62 H new ATOM 0 HB3 ASP A 42 14.940 7.491 -9.702 1.00 0.62 H new ATOM 425 N GLY A 43 12.088 5.779 -10.105 1.00 0.39 N ATOM 426 CA GLY A 43 11.131 5.296 -9.132 1.00 0.37 C ATOM 427 C GLY A 43 10.882 3.808 -9.253 1.00 0.34 C ATOM 428 O GLY A 43 10.676 3.127 -8.249 1.00 0.35 O ATOM 0 H GLY A 43 11.703 6.415 -10.803 1.00 0.39 H new ATOM 0 HA2 GLY A 43 11.493 5.520 -8.129 1.00 0.37 H new ATOM 0 HA3 GLY A 43 10.189 5.830 -9.257 1.00 0.37 H new ATOM 432 N ALA A 44 10.905 3.304 -10.480 1.00 0.33 N ATOM 433 CA ALA A 44 10.748 1.878 -10.724 1.00 0.33 C ATOM 434 C ALA A 44 11.851 1.099 -10.020 1.00 0.32 C ATOM 435 O ALA A 44 11.608 0.055 -9.415 1.00 0.31 O ATOM 436 CB ALA A 44 10.764 1.591 -12.218 1.00 0.38 C ATOM 0 H ALA A 44 11.031 3.864 -11.323 1.00 0.33 H new ATOM 0 HA ALA A 44 9.786 1.559 -10.322 1.00 0.33 H new ATOM 0 HB1 ALA A 44 10.646 0.520 -12.384 1.00 0.38 H new ATOM 0 HB2 ALA A 44 9.946 2.126 -12.700 1.00 0.38 H new ATOM 0 HB3 ALA A 44 11.712 1.921 -12.642 1.00 0.38 H new ATOM 442 N ASP A 45 13.060 1.638 -10.088 1.00 0.36 N ATOM 443 CA ASP A 45 14.214 1.030 -9.442 1.00 0.38 C ATOM 444 C ASP A 45 14.068 1.088 -7.926 1.00 0.36 C ATOM 445 O ASP A 45 14.348 0.114 -7.226 1.00 0.37 O ATOM 446 CB ASP A 45 15.494 1.748 -9.878 1.00 0.48 C ATOM 447 CG ASP A 45 16.734 1.169 -9.233 1.00 1.11 C ATOM 448 OD1 ASP A 45 17.289 0.191 -9.773 1.00 1.84 O ATOM 449 OD2 ASP A 45 17.168 1.691 -8.185 1.00 1.81 O ATOM 0 H ASP A 45 13.268 2.502 -10.588 1.00 0.36 H new ATOM 0 HA ASP A 45 14.273 -0.016 -9.743 1.00 0.38 H new ATOM 0 HB2 ASP A 45 15.590 1.686 -10.962 1.00 0.48 H new ATOM 0 HB3 ASP A 45 15.417 2.805 -9.625 1.00 0.48 H new ATOM 454 N SER A 46 13.610 2.232 -7.429 1.00 0.38 N ATOM 455 CA SER A 46 13.384 2.420 -6.003 1.00 0.41 C ATOM 456 C SER A 46 12.348 1.424 -5.481 1.00 0.36 C ATOM 457 O SER A 46 12.484 0.887 -4.381 1.00 0.39 O ATOM 458 CB SER A 46 12.920 3.854 -5.739 1.00 0.51 C ATOM 459 OG SER A 46 13.783 4.787 -6.367 1.00 0.98 O ATOM 0 H SER A 46 13.387 3.048 -7.999 1.00 0.38 H new ATOM 0 HA SER A 46 14.321 2.242 -5.475 1.00 0.41 H new ATOM 0 HB2 SER A 46 11.903 3.986 -6.109 1.00 0.51 H new ATOM 0 HB3 SER A 46 12.895 4.041 -4.665 1.00 0.51 H new ATOM 0 HG SER A 46 14.432 5.124 -5.714 1.00 0.98 H new ATOM 465 N LEU A 47 11.318 1.168 -6.285 1.00 0.32 N ATOM 466 CA LEU A 47 10.277 0.217 -5.916 1.00 0.30 C ATOM 467 C LEU A 47 10.830 -1.197 -5.789 1.00 0.27 C ATOM 468 O LEU A 47 10.300 -2.007 -5.033 1.00 0.29 O ATOM 469 CB LEU A 47 9.134 0.235 -6.935 1.00 0.30 C ATOM 470 CG LEU A 47 8.233 1.470 -6.889 1.00 0.35 C ATOM 471 CD1 LEU A 47 7.149 1.376 -7.952 1.00 0.39 C ATOM 472 CD2 LEU A 47 7.611 1.622 -5.508 1.00 0.41 C ATOM 0 H LEU A 47 11.184 1.607 -7.196 1.00 0.32 H new ATOM 0 HA LEU A 47 9.892 0.524 -4.944 1.00 0.30 H new ATOM 0 HB2 LEU A 47 9.560 0.154 -7.935 1.00 0.30 H new ATOM 0 HB3 LEU A 47 8.517 -0.650 -6.779 1.00 0.30 H new ATOM 0 HG LEU A 47 8.842 2.351 -7.093 1.00 0.35 H new ATOM 0 HD11 LEU A 47 6.516 2.262 -7.906 1.00 0.39 H new ATOM 0 HD12 LEU A 47 7.610 1.310 -8.937 1.00 0.39 H new ATOM 0 HD13 LEU A 47 6.542 0.488 -7.775 1.00 0.39 H new ATOM 0 HD21 LEU A 47 6.973 2.505 -5.492 1.00 0.41 H new ATOM 0 HD22 LEU A 47 7.015 0.739 -5.278 1.00 0.41 H new ATOM 0 HD23 LEU A 47 8.400 1.731 -4.764 1.00 0.41 H new ATOM 484 N ASN A 48 11.900 -1.492 -6.519 1.00 0.26 N ATOM 485 CA ASN A 48 12.491 -2.826 -6.484 1.00 0.26 C ATOM 486 C ASN A 48 13.111 -3.118 -5.121 1.00 0.28 C ATOM 487 O ASN A 48 12.770 -4.118 -4.485 1.00 0.32 O ATOM 488 CB ASN A 48 13.537 -3.002 -7.589 1.00 0.28 C ATOM 489 CG ASN A 48 12.929 -3.362 -8.935 1.00 0.33 C ATOM 490 OD1 ASN A 48 11.733 -2.866 -9.210 1.00 0.48 O flip ATOM 491 ND2 ASN A 48 13.537 -4.079 -9.729 1.00 0.40 N flip ATOM 0 H ASN A 48 12.373 -0.833 -7.137 1.00 0.26 H new ATOM 0 HA ASN A 48 11.686 -3.540 -6.658 1.00 0.26 H new ATOM 0 HB2 ASN A 48 14.108 -2.079 -7.690 1.00 0.28 H new ATOM 0 HB3 ASN A 48 14.240 -3.781 -7.295 1.00 0.28 H new ATOM 0 HD21 ASN A 48 14.457 -4.444 -9.485 1.00 0.40 H new ATOM 0 HD22 ASN A 48 13.121 -4.308 -10.632 1.00 0.40 H new ATOM 498 N VAL A 49 14.005 -2.243 -4.657 1.00 0.27 N ATOM 499 CA VAL A 49 14.629 -2.434 -3.348 1.00 0.29 C ATOM 500 C VAL A 49 13.583 -2.332 -2.244 1.00 0.30 C ATOM 501 O VAL A 49 13.636 -3.060 -1.251 1.00 0.32 O ATOM 502 CB VAL A 49 15.784 -1.431 -3.077 1.00 0.32 C ATOM 503 CG1 VAL A 49 15.297 0.009 -3.101 1.00 0.34 C ATOM 504 CG2 VAL A 49 16.461 -1.737 -1.745 1.00 0.36 C ATOM 0 H VAL A 49 14.309 -1.409 -5.159 1.00 0.27 H new ATOM 0 HA VAL A 49 15.066 -3.432 -3.352 1.00 0.29 H new ATOM 0 HB VAL A 49 16.512 -1.550 -3.879 1.00 0.32 H new ATOM 0 HG11 VAL A 49 16.134 0.680 -2.907 1.00 0.34 H new ATOM 0 HG12 VAL A 49 14.872 0.233 -4.079 1.00 0.34 H new ATOM 0 HG13 VAL A 49 14.535 0.148 -2.334 1.00 0.34 H new ATOM 0 HG21 VAL A 49 17.267 -1.023 -1.574 1.00 0.36 H new ATOM 0 HG22 VAL A 49 15.731 -1.660 -0.939 1.00 0.36 H new ATOM 0 HG23 VAL A 49 16.870 -2.747 -1.768 1.00 0.36 H new ATOM 508 N ALA A 50 12.612 -1.446 -2.438 1.00 0.30 N ATOM 509 CA ALA A 50 11.530 -1.280 -1.484 1.00 0.34 C ATOM 510 C ALA A 50 10.726 -2.564 -1.353 1.00 0.34 C ATOM 511 O ALA A 50 10.395 -2.986 -0.251 1.00 0.37 O ATOM 512 CB ALA A 50 10.623 -0.133 -1.901 1.00 0.37 C ATOM 0 H ALA A 50 12.555 -0.832 -3.251 1.00 0.30 H new ATOM 0 HA ALA A 50 11.967 -1.045 -0.513 1.00 0.34 H new ATOM 0 HB1 ALA A 50 9.818 -0.023 -1.175 1.00 0.37 H new ATOM 0 HB2 ALA A 50 11.201 0.790 -1.945 1.00 0.37 H new ATOM 0 HB3 ALA A 50 10.199 -0.343 -2.883 1.00 0.37 H new ATOM 518 N MET A 51 10.448 -3.196 -2.486 1.00 0.34 N ATOM 519 CA MET A 51 9.609 -4.388 -2.527 1.00 0.39 C ATOM 520 C MET A 51 10.242 -5.542 -1.767 1.00 0.31 C ATOM 521 O MET A 51 9.553 -6.285 -1.064 1.00 0.30 O ATOM 522 CB MET A 51 9.349 -4.793 -3.970 1.00 0.52 C ATOM 523 CG MET A 51 8.258 -5.837 -4.124 1.00 0.62 C ATOM 524 SD MET A 51 7.526 -5.801 -5.765 1.00 0.65 S ATOM 525 CE MET A 51 7.150 -4.053 -5.885 1.00 0.41 C ATOM 0 H MET A 51 10.795 -2.899 -3.398 1.00 0.34 H new ATOM 0 HA MET A 51 8.663 -4.148 -2.042 1.00 0.39 H new ATOM 0 HB2 MET A 51 9.075 -3.907 -4.543 1.00 0.52 H new ATOM 0 HB3 MET A 51 10.272 -5.179 -4.402 1.00 0.52 H new ATOM 0 HG2 MET A 51 8.673 -6.827 -3.933 1.00 0.62 H new ATOM 0 HG3 MET A 51 7.483 -5.666 -3.377 1.00 0.62 H new ATOM 0 HE1 MET A 51 6.342 -3.903 -6.601 1.00 0.41 H new ATOM 0 HE2 MET A 51 6.843 -3.679 -4.908 1.00 0.41 H new ATOM 0 HE3 MET A 51 8.036 -3.512 -6.219 1.00 0.41 H new ATOM 535 N ASP A 52 11.551 -5.692 -1.911 1.00 0.31 N ATOM 536 CA ASP A 52 12.277 -6.712 -1.169 1.00 0.32 C ATOM 537 C ASP A 52 12.159 -6.440 0.322 1.00 0.28 C ATOM 538 O ASP A 52 11.998 -7.355 1.123 1.00 0.30 O ATOM 539 CB ASP A 52 13.750 -6.748 -1.579 1.00 0.42 C ATOM 540 CG ASP A 52 14.527 -7.819 -0.835 1.00 1.16 C ATOM 541 OD1 ASP A 52 14.396 -9.009 -1.196 1.00 1.99 O ATOM 542 OD2 ASP A 52 15.282 -7.477 0.101 1.00 1.84 O ATOM 0 H ASP A 52 12.129 -5.124 -2.531 1.00 0.31 H new ATOM 0 HA ASP A 52 11.839 -7.683 -1.399 1.00 0.32 H new ATOM 0 HB2 ASP A 52 13.822 -6.928 -2.652 1.00 0.42 H new ATOM 0 HB3 ASP A 52 14.202 -5.775 -1.388 1.00 0.42 H new ATOM 547 N CYS A 53 12.202 -5.164 0.674 1.00 0.27 N ATOM 548 CA CYS A 53 12.091 -4.745 2.059 1.00 0.27 C ATOM 549 C CYS A 53 10.663 -4.923 2.578 1.00 0.29 C ATOM 550 O CYS A 53 10.466 -5.245 3.744 1.00 0.36 O ATOM 551 CB CYS A 53 12.541 -3.294 2.202 1.00 0.36 C ATOM 552 SG CYS A 53 14.238 -3.004 1.647 1.00 1.05 S ATOM 0 H CYS A 53 12.314 -4.396 0.012 1.00 0.27 H new ATOM 0 HA CYS A 53 12.742 -5.377 2.663 1.00 0.27 H new ATOM 0 HB2 CYS A 53 11.867 -2.655 1.631 1.00 0.36 H new ATOM 0 HB3 CYS A 53 12.454 -2.997 3.247 1.00 0.36 H new ATOM 0 HG CYS A 53 14.245 -2.791 0.365 1.00 1.05 H new ATOM 558 N ILE A 54 9.670 -4.711 1.713 1.00 0.26 N ATOM 559 CA ILE A 54 8.275 -4.961 2.079 1.00 0.29 C ATOM 560 C ILE A 54 8.090 -6.443 2.391 1.00 0.30 C ATOM 561 O ILE A 54 7.528 -6.814 3.424 1.00 0.33 O ATOM 562 CB ILE A 54 7.281 -4.567 0.956 1.00 0.29 C ATOM 563 CG1 ILE A 54 7.507 -3.122 0.496 1.00 0.31 C ATOM 564 CG2 ILE A 54 5.846 -4.742 1.445 1.00 0.33 C ATOM 565 CD1 ILE A 54 6.681 -2.726 -0.717 1.00 0.34 C ATOM 0 H ILE A 54 9.804 -4.369 0.761 1.00 0.26 H new ATOM 0 HA ILE A 54 8.059 -4.343 2.950 1.00 0.29 H new ATOM 0 HB ILE A 54 7.455 -5.224 0.104 1.00 0.29 H new ATOM 0 HG12 ILE A 54 7.272 -2.448 1.320 1.00 0.31 H new ATOM 0 HG13 ILE A 54 8.563 -2.986 0.264 1.00 0.31 H new ATOM 0 HG21 ILE A 54 5.154 -4.463 0.650 1.00 0.33 H new ATOM 0 HG22 ILE A 54 5.680 -5.783 1.722 1.00 0.33 H new ATOM 0 HG23 ILE A 54 5.677 -4.105 2.313 1.00 0.33 H new ATOM 0 HD11 ILE A 54 6.896 -1.691 -0.981 1.00 0.34 H new ATOM 0 HD12 ILE A 54 6.933 -3.375 -1.556 1.00 0.34 H new ATOM 0 HD13 ILE A 54 5.621 -2.828 -0.485 1.00 0.34 H new ATOM 572 N SER A 55 8.593 -7.280 1.492 1.00 0.30 N ATOM 573 CA SER A 55 8.518 -8.724 1.649 1.00 0.36 C ATOM 574 C SER A 55 9.273 -9.165 2.901 1.00 0.38 C ATOM 575 O SER A 55 8.776 -9.968 3.693 1.00 0.41 O ATOM 576 CB SER A 55 9.091 -9.408 0.407 1.00 0.40 C ATOM 577 OG SER A 55 8.461 -8.926 -0.771 1.00 0.80 O ATOM 0 H SER A 55 9.062 -6.977 0.638 1.00 0.30 H new ATOM 0 HA SER A 55 7.474 -9.015 1.763 1.00 0.36 H new ATOM 0 HB2 SER A 55 10.165 -9.228 0.350 1.00 0.40 H new ATOM 0 HB3 SER A 55 8.952 -10.486 0.484 1.00 0.40 H new ATOM 0 HG SER A 55 8.818 -8.041 -0.994 1.00 0.80 H new ATOM 583 N GLU A 56 10.464 -8.609 3.077 1.00 0.39 N ATOM 584 CA GLU A 56 11.298 -8.884 4.240 1.00 0.48 C ATOM 585 C GLU A 56 10.596 -8.453 5.525 1.00 0.43 C ATOM 586 O GLU A 56 10.687 -9.124 6.552 1.00 0.46 O ATOM 587 CB GLU A 56 12.628 -8.142 4.086 1.00 0.60 C ATOM 588 CG GLU A 56 13.628 -8.388 5.202 1.00 0.83 C ATOM 589 CD GLU A 56 14.970 -7.746 4.915 1.00 1.81 C ATOM 590 OE1 GLU A 56 15.797 -8.376 4.220 1.00 2.38 O ATOM 591 OE2 GLU A 56 15.207 -6.611 5.380 1.00 2.66 O ATOM 0 H GLU A 56 10.880 -7.953 2.416 1.00 0.39 H new ATOM 0 HA GLU A 56 11.481 -9.957 4.304 1.00 0.48 H new ATOM 0 HB2 GLU A 56 13.083 -8.433 3.139 1.00 0.60 H new ATOM 0 HB3 GLU A 56 12.426 -7.072 4.027 1.00 0.60 H new ATOM 0 HG2 GLU A 56 13.231 -7.994 6.138 1.00 0.83 H new ATOM 0 HG3 GLU A 56 13.762 -9.461 5.339 1.00 0.83 H new ATOM 598 N ALA A 57 9.879 -7.342 5.447 1.00 0.39 N ATOM 599 CA ALA A 57 9.210 -6.769 6.605 1.00 0.39 C ATOM 600 C ALA A 57 8.083 -7.660 7.114 1.00 0.33 C ATOM 601 O ALA A 57 8.027 -7.985 8.300 1.00 0.39 O ATOM 602 CB ALA A 57 8.679 -5.384 6.269 1.00 0.42 C ATOM 0 H ALA A 57 9.745 -6.815 4.584 1.00 0.39 H new ATOM 0 HA ALA A 57 9.946 -6.690 7.405 1.00 0.39 H new ATOM 0 HB1 ALA A 57 8.180 -4.964 7.142 1.00 0.42 H new ATOM 0 HB2 ALA A 57 9.507 -4.738 5.978 1.00 0.42 H new ATOM 0 HB3 ALA A 57 7.969 -5.457 5.445 1.00 0.42 H new ATOM 608 N PHE A 58 7.192 -8.058 6.218 1.00 0.29 N ATOM 609 CA PHE A 58 6.029 -8.849 6.607 1.00 0.28 C ATOM 610 C PHE A 58 6.352 -10.339 6.656 1.00 0.30 C ATOM 611 O PHE A 58 5.525 -11.150 7.077 1.00 0.38 O ATOM 612 CB PHE A 58 4.861 -8.598 5.651 1.00 0.26 C ATOM 613 CG PHE A 58 4.247 -7.234 5.780 1.00 0.25 C ATOM 614 CD1 PHE A 58 4.868 -6.121 5.239 1.00 1.24 C ATOM 615 CD2 PHE A 58 3.041 -7.069 6.438 1.00 1.18 C ATOM 616 CE1 PHE A 58 4.298 -4.870 5.352 1.00 1.22 C ATOM 617 CE2 PHE A 58 2.464 -5.819 6.553 1.00 1.22 C ATOM 618 CZ PHE A 58 3.094 -4.718 6.010 1.00 0.28 C ATOM 0 H PHE A 58 7.249 -7.849 5.221 1.00 0.29 H new ATOM 0 HA PHE A 58 5.743 -8.533 7.610 1.00 0.28 H new ATOM 0 HB2 PHE A 58 5.208 -8.733 4.627 1.00 0.26 H new ATOM 0 HB3 PHE A 58 4.092 -9.350 5.829 1.00 0.26 H new ATOM 0 HD1 PHE A 58 5.810 -6.234 4.722 1.00 1.24 H new ATOM 0 HD2 PHE A 58 2.545 -7.927 6.867 1.00 1.18 H new ATOM 0 HE1 PHE A 58 4.793 -4.010 4.926 1.00 1.22 H new ATOM 0 HE2 PHE A 58 1.521 -5.704 7.067 1.00 1.22 H new ATOM 0 HZ PHE A 58 2.646 -3.739 6.100 1.00 0.28 H new ATOM 628 N GLY A 59 7.555 -10.691 6.217 1.00 0.34 N ATOM 629 CA GLY A 59 8.000 -12.069 6.283 1.00 0.39 C ATOM 630 C GLY A 59 7.393 -12.936 5.202 1.00 0.38 C ATOM 631 O GLY A 59 6.990 -14.068 5.460 1.00 0.43 O ATOM 0 H GLY A 59 8.232 -10.043 5.815 1.00 0.34 H new ATOM 0 HA2 GLY A 59 9.086 -12.099 6.199 1.00 0.39 H new ATOM 0 HA3 GLY A 59 7.744 -12.482 7.259 1.00 0.39 H new ATOM 635 N PHE A 60 7.326 -12.412 3.988 1.00 0.35 N ATOM 636 CA PHE A 60 6.785 -13.161 2.865 1.00 0.39 C ATOM 637 C PHE A 60 7.632 -12.907 1.627 1.00 0.40 C ATOM 638 O PHE A 60 8.641 -12.206 1.696 1.00 0.42 O ATOM 639 CB PHE A 60 5.312 -12.789 2.612 1.00 0.40 C ATOM 640 CG PHE A 60 5.094 -11.457 1.941 1.00 0.31 C ATOM 641 CD1 PHE A 60 5.451 -10.277 2.566 1.00 1.19 C ATOM 642 CD2 PHE A 60 4.520 -11.394 0.681 1.00 1.22 C ATOM 643 CE1 PHE A 60 5.241 -9.058 1.948 1.00 1.22 C ATOM 644 CE2 PHE A 60 4.306 -10.180 0.059 1.00 1.20 C ATOM 645 CZ PHE A 60 4.668 -9.010 0.694 1.00 0.33 C ATOM 0 H PHE A 60 7.640 -11.470 3.755 1.00 0.35 H new ATOM 0 HA PHE A 60 6.817 -14.224 3.102 1.00 0.39 H new ATOM 0 HB2 PHE A 60 4.858 -13.566 1.998 1.00 0.40 H new ATOM 0 HB3 PHE A 60 4.785 -12.788 3.566 1.00 0.40 H new ATOM 0 HD1 PHE A 60 5.899 -10.307 3.548 1.00 1.19 H new ATOM 0 HD2 PHE A 60 4.236 -12.307 0.179 1.00 1.22 H new ATOM 0 HE1 PHE A 60 5.526 -8.143 2.447 1.00 1.22 H new ATOM 0 HE2 PHE A 60 3.856 -10.146 -0.922 1.00 1.20 H new ATOM 0 HZ PHE A 60 4.503 -8.058 0.210 1.00 0.33 H new ATOM 655 N GLU A 61 7.238 -13.484 0.506 1.00 0.48 N ATOM 656 CA GLU A 61 7.988 -13.332 -0.730 1.00 0.55 C ATOM 657 C GLU A 61 7.140 -12.661 -1.798 1.00 0.50 C ATOM 658 O GLU A 61 5.917 -12.797 -1.812 1.00 0.48 O ATOM 659 CB GLU A 61 8.452 -14.695 -1.238 1.00 0.70 C ATOM 660 CG GLU A 61 9.348 -15.442 -0.267 1.00 0.81 C ATOM 661 CD GLU A 61 9.850 -16.745 -0.842 1.00 1.48 C ATOM 662 OE1 GLU A 61 9.110 -17.751 -0.784 1.00 2.33 O ATOM 663 OE2 GLU A 61 10.978 -16.771 -1.371 1.00 2.05 O ATOM 0 H GLU A 61 6.402 -14.063 0.425 1.00 0.48 H new ATOM 0 HA GLU A 61 8.855 -12.706 -0.521 1.00 0.55 H new ATOM 0 HB2 GLU A 61 7.577 -15.308 -1.455 1.00 0.70 H new ATOM 0 HB3 GLU A 61 8.986 -14.559 -2.178 1.00 0.70 H new ATOM 0 HG2 GLU A 61 10.197 -14.813 -0.001 1.00 0.81 H new ATOM 0 HG3 GLU A 61 8.798 -15.641 0.653 1.00 0.81 H new ATOM 670 N ARG A 62 7.810 -11.956 -2.702 1.00 0.54 N ATOM 671 CA ARG A 62 7.153 -11.291 -3.825 1.00 0.53 C ATOM 672 C ARG A 62 6.487 -12.318 -4.733 1.00 0.53 C ATOM 673 O ARG A 62 5.561 -12.001 -5.469 1.00 0.64 O ATOM 674 CB ARG A 62 8.178 -10.487 -4.627 1.00 0.63 C ATOM 675 CG ARG A 62 7.575 -9.671 -5.760 1.00 1.40 C ATOM 676 CD ARG A 62 8.605 -9.386 -6.840 1.00 1.46 C ATOM 677 NE ARG A 62 9.041 -10.617 -7.504 1.00 2.25 N ATOM 678 CZ ARG A 62 10.177 -10.746 -8.185 1.00 2.60 C ATOM 679 NH1 ARG A 62 11.026 -9.729 -8.284 1.00 2.13 N ATOM 680 NH2 ARG A 62 10.460 -11.905 -8.766 1.00 3.67 N ATOM 0 H ARG A 62 8.822 -11.828 -2.679 1.00 0.54 H new ATOM 0 HA ARG A 62 6.391 -10.617 -3.433 1.00 0.53 H new ATOM 0 HB2 ARG A 62 8.707 -9.815 -3.951 1.00 0.63 H new ATOM 0 HB3 ARG A 62 8.919 -11.172 -5.040 1.00 0.63 H new ATOM 0 HG2 ARG A 62 6.732 -10.210 -6.191 1.00 1.40 H new ATOM 0 HG3 ARG A 62 7.186 -8.731 -5.368 1.00 1.40 H new ATOM 0 HD2 ARG A 62 8.182 -8.704 -7.577 1.00 1.46 H new ATOM 0 HD3 ARG A 62 9.466 -8.884 -6.399 1.00 1.46 H new ATOM 0 HE ARG A 62 8.431 -11.432 -7.440 1.00 2.25 H new ATOM 0 HH11 ARG A 62 10.810 -8.839 -7.836 1.00 2.13 H new ATOM 0 HH12 ARG A 62 11.894 -9.838 -8.808 1.00 2.13 H new ATOM 0 HH21 ARG A 62 9.809 -12.687 -8.688 1.00 3.67 H new ATOM 0 HH22 ARG A 62 11.328 -12.014 -9.290 1.00 3.67 H new ATOM 694 N GLU A 63 6.973 -13.548 -4.676 1.00 0.58 N ATOM 695 CA GLU A 63 6.405 -14.626 -5.468 1.00 0.64 C ATOM 696 C GLU A 63 5.251 -15.291 -4.722 1.00 0.63 C ATOM 697 O GLU A 63 4.456 -16.021 -5.310 1.00 0.75 O ATOM 698 CB GLU A 63 7.483 -15.657 -5.799 1.00 0.74 C ATOM 699 CG GLU A 63 8.668 -15.077 -6.554 1.00 1.70 C ATOM 700 CD GLU A 63 8.264 -14.432 -7.861 1.00 2.53 C ATOM 701 OE1 GLU A 63 8.127 -15.156 -8.865 1.00 3.12 O ATOM 702 OE2 GLU A 63 8.091 -13.196 -7.892 1.00 3.20 O ATOM 0 H GLU A 63 7.760 -13.824 -4.089 1.00 0.58 H new ATOM 0 HA GLU A 63 6.018 -14.207 -6.397 1.00 0.64 H new ATOM 0 HB2 GLU A 63 7.839 -16.109 -4.873 1.00 0.74 H new ATOM 0 HB3 GLU A 63 7.040 -16.456 -6.394 1.00 0.74 H new ATOM 0 HG2 GLU A 63 9.167 -14.338 -5.927 1.00 1.70 H new ATOM 0 HG3 GLU A 63 9.391 -15.868 -6.752 1.00 1.70 H new ATOM 709 N ALA A 64 5.151 -15.014 -3.428 1.00 0.55 N ATOM 710 CA ALA A 64 4.129 -15.627 -2.588 1.00 0.60 C ATOM 711 C ALA A 64 2.858 -14.789 -2.571 1.00 0.54 C ATOM 712 O ALA A 64 1.852 -15.180 -1.978 1.00 0.57 O ATOM 713 CB ALA A 64 4.654 -15.817 -1.174 1.00 0.67 C ATOM 0 H ALA A 64 5.767 -14.367 -2.936 1.00 0.55 H new ATOM 0 HA ALA A 64 3.885 -16.602 -3.009 1.00 0.60 H new ATOM 0 HB1 ALA A 64 3.881 -16.276 -0.557 1.00 0.67 H new ATOM 0 HB2 ALA A 64 5.532 -16.463 -1.195 1.00 0.67 H new ATOM 0 HB3 ALA A 64 4.926 -14.849 -0.754 1.00 0.67 H new ATOM 719 N VAL A 65 2.909 -13.639 -3.232 1.00 0.51 N ATOM 720 CA VAL A 65 1.765 -12.737 -3.298 1.00 0.47 C ATOM 721 C VAL A 65 0.564 -13.427 -3.952 1.00 0.53 C ATOM 722 O VAL A 65 -0.583 -13.195 -3.568 1.00 0.54 O ATOM 723 CB VAL A 65 2.117 -11.433 -4.059 1.00 0.47 C ATOM 724 CG1 VAL A 65 2.589 -11.721 -5.471 1.00 0.51 C ATOM 725 CG2 VAL A 65 0.939 -10.480 -4.093 1.00 0.50 C ATOM 0 H VAL A 65 3.734 -13.308 -3.732 1.00 0.51 H new ATOM 0 HA VAL A 65 1.498 -12.470 -2.275 1.00 0.47 H new ATOM 0 HB VAL A 65 2.933 -10.959 -3.514 1.00 0.47 H new ATOM 0 HG11 VAL A 65 2.827 -10.783 -5.974 1.00 0.51 H new ATOM 0 HG12 VAL A 65 3.479 -12.350 -5.436 1.00 0.51 H new ATOM 0 HG13 VAL A 65 1.801 -12.237 -6.020 1.00 0.51 H new ATOM 0 HG21 VAL A 65 1.218 -9.576 -4.634 1.00 0.50 H new ATOM 0 HG22 VAL A 65 0.098 -10.958 -4.596 1.00 0.50 H new ATOM 0 HG23 VAL A 65 0.652 -10.220 -3.074 1.00 0.50 H new ATOM 729 N SER A 66 0.842 -14.305 -4.910 1.00 0.63 N ATOM 730 CA SER A 66 -0.200 -15.042 -5.608 1.00 0.75 C ATOM 731 C SER A 66 -0.938 -15.981 -4.651 1.00 0.76 C ATOM 732 O SER A 66 -2.154 -16.147 -4.741 1.00 0.84 O ATOM 733 CB SER A 66 0.420 -15.834 -6.759 1.00 0.89 C ATOM 734 OG SER A 66 1.212 -14.990 -7.580 1.00 1.63 O ATOM 0 H SER A 66 1.789 -14.523 -5.221 1.00 0.63 H new ATOM 0 HA SER A 66 -0.925 -14.333 -6.007 1.00 0.75 H new ATOM 0 HB2 SER A 66 1.033 -16.643 -6.362 1.00 0.89 H new ATOM 0 HB3 SER A 66 -0.367 -16.295 -7.355 1.00 0.89 H new ATOM 0 HG SER A 66 1.602 -15.515 -8.310 1.00 1.63 H new ATOM 740 N GLY A 67 -0.194 -16.578 -3.727 1.00 0.73 N ATOM 741 CA GLY A 67 -0.793 -17.466 -2.750 1.00 0.75 C ATOM 742 C GLY A 67 -1.645 -16.713 -1.753 1.00 0.70 C ATOM 743 O GLY A 67 -2.722 -17.171 -1.370 1.00 0.76 O ATOM 0 H GLY A 67 0.815 -16.462 -3.637 1.00 0.73 H new ATOM 0 HA2 GLY A 67 -1.404 -18.210 -3.262 1.00 0.75 H new ATOM 0 HA3 GLY A 67 -0.008 -18.007 -2.222 1.00 0.75 H new ATOM 747 N ILE A 68 -1.162 -15.548 -1.338 1.00 0.63 N ATOM 748 CA ILE A 68 -1.891 -14.705 -0.401 1.00 0.59 C ATOM 749 C ILE A 68 -3.188 -14.203 -1.030 1.00 0.63 C ATOM 750 O ILE A 68 -4.269 -14.378 -0.467 1.00 0.71 O ATOM 751 CB ILE A 68 -1.041 -13.497 0.049 1.00 0.51 C ATOM 752 CG1 ILE A 68 0.261 -13.976 0.697 1.00 0.50 C ATOM 753 CG2 ILE A 68 -1.827 -12.621 1.018 1.00 0.50 C ATOM 754 CD1 ILE A 68 1.204 -12.853 1.072 1.00 0.45 C ATOM 0 H ILE A 68 -0.265 -15.165 -1.638 1.00 0.63 H new ATOM 0 HA ILE A 68 -2.121 -15.314 0.473 1.00 0.59 H new ATOM 0 HB ILE A 68 -0.794 -12.901 -0.830 1.00 0.51 H new ATOM 0 HG12 ILE A 68 0.021 -14.551 1.591 1.00 0.50 H new ATOM 0 HG13 ILE A 68 0.771 -14.652 0.011 1.00 0.50 H new ATOM 0 HG21 ILE A 68 -1.212 -11.775 1.324 1.00 0.50 H new ATOM 0 HG22 ILE A 68 -2.729 -12.255 0.528 1.00 0.50 H new ATOM 0 HG23 ILE A 68 -2.102 -13.206 1.896 1.00 0.50 H new ATOM 0 HD11 ILE A 68 2.104 -13.269 1.525 1.00 0.45 H new ATOM 0 HD12 ILE A 68 1.475 -12.291 0.178 1.00 0.45 H new ATOM 0 HD13 ILE A 68 0.714 -12.188 1.783 1.00 0.45 H new ATOM 761 N LEU A 69 -3.074 -13.614 -2.218 1.00 0.62 N ATOM 762 CA LEU A 69 -4.232 -13.063 -2.918 1.00 0.67 C ATOM 763 C LEU A 69 -5.195 -14.164 -3.349 1.00 0.85 C ATOM 764 O LEU A 69 -6.334 -13.889 -3.716 1.00 1.14 O ATOM 765 CB LEU A 69 -3.789 -12.250 -4.137 1.00 0.62 C ATOM 766 CG LEU A 69 -2.970 -10.995 -3.821 1.00 0.47 C ATOM 767 CD1 LEU A 69 -2.599 -10.266 -5.103 1.00 0.50 C ATOM 768 CD2 LEU A 69 -3.740 -10.072 -2.887 1.00 0.45 C ATOM 0 H LEU A 69 -2.191 -13.506 -2.717 1.00 0.62 H new ATOM 0 HA LEU A 69 -4.754 -12.405 -2.223 1.00 0.67 H new ATOM 0 HB2 LEU A 69 -3.199 -12.895 -4.789 1.00 0.62 H new ATOM 0 HB3 LEU A 69 -4.675 -11.954 -4.698 1.00 0.62 H new ATOM 0 HG LEU A 69 -2.052 -11.302 -3.319 1.00 0.47 H new ATOM 0 HD11 LEU A 69 -2.017 -9.377 -4.861 1.00 0.50 H new ATOM 0 HD12 LEU A 69 -2.007 -10.925 -5.738 1.00 0.50 H new ATOM 0 HD13 LEU A 69 -3.507 -9.973 -5.631 1.00 0.50 H new ATOM 0 HD21 LEU A 69 -3.141 -9.187 -2.675 1.00 0.45 H new ATOM 0 HD22 LEU A 69 -4.675 -9.773 -3.361 1.00 0.45 H new ATOM 0 HD23 LEU A 69 -3.957 -10.595 -1.956 1.00 0.45 H new ATOM 780 N GLY A 70 -4.733 -15.406 -3.298 1.00 0.81 N ATOM 781 CA GLY A 70 -5.592 -16.527 -3.612 1.00 0.94 C ATOM 782 C GLY A 70 -6.667 -16.725 -2.563 1.00 0.99 C ATOM 783 O GLY A 70 -7.771 -17.175 -2.869 1.00 1.25 O ATOM 0 H GLY A 70 -3.777 -15.656 -3.044 1.00 0.81 H new ATOM 0 HA2 GLY A 70 -6.058 -16.366 -4.584 1.00 0.94 H new ATOM 0 HA3 GLY A 70 -4.992 -17.433 -3.692 1.00 0.94 H new ATOM 787 N LYS A 71 -6.345 -16.369 -1.326 1.00 0.87 N ATOM 788 CA LYS A 71 -7.283 -16.508 -0.220 1.00 0.98 C ATOM 789 C LYS A 71 -7.980 -15.179 0.061 1.00 0.99 C ATOM 790 O LYS A 71 -9.153 -15.147 0.440 1.00 1.26 O ATOM 791 CB LYS A 71 -6.552 -16.996 1.034 1.00 1.11 C ATOM 792 CG LYS A 71 -7.468 -17.232 2.227 1.00 1.69 C ATOM 793 CD LYS A 71 -6.680 -17.595 3.477 1.00 2.11 C ATOM 794 CE LYS A 71 -5.977 -18.933 3.330 1.00 2.60 C ATOM 795 NZ LYS A 71 -5.142 -19.255 4.517 1.00 3.16 N ATOM 0 H LYS A 71 -5.439 -15.981 -1.063 1.00 0.87 H new ATOM 0 HA LYS A 71 -8.038 -17.243 -0.497 1.00 0.98 H new ATOM 0 HB2 LYS A 71 -6.029 -17.923 0.800 1.00 1.11 H new ATOM 0 HB3 LYS A 71 -5.794 -16.263 1.309 1.00 1.11 H new ATOM 0 HG2 LYS A 71 -8.058 -16.335 2.416 1.00 1.69 H new ATOM 0 HG3 LYS A 71 -8.170 -18.032 1.994 1.00 1.69 H new ATOM 0 HD2 LYS A 71 -5.944 -16.818 3.681 1.00 2.11 H new ATOM 0 HD3 LYS A 71 -7.353 -17.630 4.334 1.00 2.11 H new ATOM 0 HE2 LYS A 71 -6.719 -19.718 3.184 1.00 2.60 H new ATOM 0 HE3 LYS A 71 -5.350 -18.917 2.439 1.00 2.60 H new ATOM 0 HZ1 LYS A 71 -4.680 -20.176 4.377 1.00 3.16 H new ATOM 0 HZ2 LYS A 71 -4.418 -18.519 4.642 1.00 3.16 H new ATOM 0 HZ3 LYS A 71 -5.744 -19.295 5.364 1.00 3.16 H new ATOM 809 N SER A 72 -7.251 -14.087 -0.129 1.00 0.92 N ATOM 810 CA SER A 72 -7.781 -12.753 0.111 1.00 1.08 C ATOM 811 C SER A 72 -8.939 -12.431 -0.833 1.00 1.04 C ATOM 812 O SER A 72 -8.904 -12.758 -2.016 1.00 1.21 O ATOM 813 CB SER A 72 -6.670 -11.720 -0.057 1.00 1.30 C ATOM 814 OG SER A 72 -5.604 -11.977 0.835 1.00 2.02 O ATOM 0 H SER A 72 -6.283 -14.101 -0.451 1.00 0.92 H new ATOM 0 HA SER A 72 -8.163 -12.720 1.131 1.00 1.08 H new ATOM 0 HB2 SER A 72 -6.303 -11.738 -1.083 1.00 1.30 H new ATOM 0 HB3 SER A 72 -7.067 -10.721 0.122 1.00 1.30 H new ATOM 0 HG SER A 72 -5.089 -12.748 0.516 1.00 2.02 H new ATOM 820 N GLU A 73 -9.949 -11.754 -0.297 1.00 1.13 N ATOM 821 CA GLU A 73 -11.148 -11.404 -1.057 1.00 1.31 C ATOM 822 C GLU A 73 -10.876 -10.235 -2.001 1.00 1.26 C ATOM 823 O GLU A 73 -11.777 -9.737 -2.678 1.00 1.87 O ATOM 824 CB GLU A 73 -12.275 -11.048 -0.092 1.00 1.67 C ATOM 825 CG GLU A 73 -12.581 -12.152 0.903 1.00 1.87 C ATOM 826 CD GLU A 73 -13.437 -11.676 2.056 1.00 2.12 C ATOM 827 OE1 GLU A 73 -13.080 -10.651 2.670 1.00 2.64 O ATOM 828 OE2 GLU A 73 -14.455 -12.329 2.359 1.00 2.46 O ATOM 0 H GLU A 73 -9.962 -11.433 0.671 1.00 1.13 H new ATOM 0 HA GLU A 73 -11.441 -12.263 -1.661 1.00 1.31 H new ATOM 0 HB2 GLU A 73 -12.007 -10.142 0.451 1.00 1.67 H new ATOM 0 HB3 GLU A 73 -13.176 -10.822 -0.663 1.00 1.67 H new ATOM 0 HG2 GLU A 73 -13.090 -12.968 0.390 1.00 1.87 H new ATOM 0 HG3 GLU A 73 -11.646 -12.555 1.292 1.00 1.87 H new ATOM 835 N PHE A 74 -9.627 -9.804 -2.041 1.00 1.04 N ATOM 836 CA PHE A 74 -9.212 -8.721 -2.914 1.00 1.02 C ATOM 837 C PHE A 74 -8.876 -9.269 -4.296 1.00 1.08 C ATOM 838 O PHE A 74 -8.641 -8.511 -5.238 1.00 1.45 O ATOM 839 CB PHE A 74 -7.997 -8.000 -2.326 1.00 0.94 C ATOM 840 CG PHE A 74 -8.176 -7.579 -0.892 1.00 0.96 C ATOM 841 CD1 PHE A 74 -9.135 -6.644 -0.542 1.00 1.61 C ATOM 842 CD2 PHE A 74 -7.377 -8.118 0.105 1.00 1.18 C ATOM 843 CE1 PHE A 74 -9.296 -6.255 0.773 1.00 1.70 C ATOM 844 CE2 PHE A 74 -7.534 -7.731 1.423 1.00 1.25 C ATOM 845 CZ PHE A 74 -8.495 -6.800 1.757 1.00 1.19 C ATOM 0 H PHE A 74 -8.875 -10.193 -1.472 1.00 1.04 H new ATOM 0 HA PHE A 74 -10.031 -8.008 -3.003 1.00 1.02 H new ATOM 0 HB2 PHE A 74 -7.128 -8.654 -2.397 1.00 0.94 H new ATOM 0 HB3 PHE A 74 -7.782 -7.118 -2.930 1.00 0.94 H new ATOM 0 HD1 PHE A 74 -9.765 -6.214 -1.307 1.00 1.61 H new ATOM 0 HD2 PHE A 74 -6.624 -8.848 -0.151 1.00 1.18 H new ATOM 0 HE1 PHE A 74 -10.048 -5.525 1.032 1.00 1.70 H new ATOM 0 HE2 PHE A 74 -6.905 -8.157 2.190 1.00 1.25 H new ATOM 0 HZ PHE A 74 -8.621 -6.498 2.786 1.00 1.19 H new ATOM 901 N HIS A 78 -7.283 -4.927 -8.011 1.00 0.88 N ATOM 902 CA HIS A 78 -5.992 -4.468 -7.526 1.00 0.85 C ATOM 903 C HIS A 78 -6.193 -3.429 -6.429 1.00 0.69 C ATOM 904 O HIS A 78 -7.314 -2.962 -6.222 1.00 0.68 O ATOM 905 CB HIS A 78 -5.155 -3.878 -8.661 1.00 1.02 C ATOM 906 CG HIS A 78 -4.852 -4.831 -9.775 1.00 1.16 C ATOM 907 ND1 HIS A 78 -5.304 -4.647 -11.062 1.00 1.50 N ATOM 908 CD2 HIS A 78 -4.116 -5.968 -9.797 1.00 1.41 C ATOM 909 CE1 HIS A 78 -4.860 -5.625 -11.827 1.00 1.96 C ATOM 910 NE2 HIS A 78 -4.137 -6.438 -11.085 1.00 1.85 N ATOM 0 HA HIS A 78 -5.454 -5.324 -7.120 1.00 0.85 H new ATOM 0 HB2 HIS A 78 -5.680 -3.016 -9.071 1.00 1.02 H new ATOM 0 HB3 HIS A 78 -4.215 -3.512 -8.249 1.00 1.02 H new ATOM 0 HD2 HIS A 78 -3.608 -6.420 -8.958 1.00 1.41 H new ATOM 0 HE1 HIS A 78 -5.056 -5.740 -12.883 1.00 1.96 H new ATOM 0 HE2 HIS A 78 -3.668 -7.282 -11.415 1.00 1.85 H new ATOM 919 N LEU A 79 -5.115 -3.062 -5.741 1.00 0.60 N ATOM 920 CA LEU A 79 -5.200 -2.150 -4.599 1.00 0.46 C ATOM 921 C LEU A 79 -5.883 -0.834 -4.970 1.00 0.44 C ATOM 922 O LEU A 79 -6.807 -0.391 -4.288 1.00 0.42 O ATOM 923 CB LEU A 79 -3.802 -1.859 -4.042 1.00 0.44 C ATOM 924 CG LEU A 79 -3.769 -0.947 -2.812 1.00 0.37 C ATOM 925 CD1 LEU A 79 -4.467 -1.606 -1.632 1.00 0.37 C ATOM 926 CD2 LEU A 79 -2.337 -0.588 -2.451 1.00 0.41 C ATOM 0 H LEU A 79 -4.170 -3.382 -5.953 1.00 0.60 H new ATOM 0 HA LEU A 79 -5.804 -2.644 -3.838 1.00 0.46 H new ATOM 0 HB2 LEU A 79 -3.326 -2.805 -3.786 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -3.202 -1.403 -4.829 1.00 0.44 H new ATOM 0 HG LEU A 79 -4.304 -0.029 -3.055 1.00 0.37 H new ATOM 0 HD11 LEU A 79 -4.431 -0.940 -0.770 1.00 0.37 H new ATOM 0 HD12 LEU A 79 -5.506 -1.809 -1.891 1.00 0.37 H new ATOM 0 HD13 LEU A 79 -3.964 -2.542 -1.389 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -2.334 0.060 -1.575 1.00 0.41 H new ATOM 0 HD22 LEU A 79 -1.778 -1.498 -2.231 1.00 0.41 H new ATOM 0 HD23 LEU A 79 -1.870 -0.069 -3.288 1.00 0.41 H new ATOM 938 N ALA A 80 -5.439 -0.227 -6.062 1.00 0.50 N ATOM 939 CA ALA A 80 -5.929 1.088 -6.454 1.00 0.54 C ATOM 940 C ALA A 80 -7.411 1.065 -6.805 1.00 0.58 C ATOM 941 O ALA A 80 -8.119 2.032 -6.551 1.00 0.61 O ATOM 942 CB ALA A 80 -5.116 1.632 -7.611 1.00 0.63 C ATOM 0 H ALA A 80 -4.741 -0.623 -6.692 1.00 0.50 H new ATOM 0 HA ALA A 80 -5.811 1.749 -5.596 1.00 0.54 H new ATOM 0 HB1 ALA A 80 -5.495 2.615 -7.892 1.00 0.63 H new ATOM 0 HB2 ALA A 80 -4.071 1.717 -7.313 1.00 0.63 H new ATOM 0 HB3 ALA A 80 -5.196 0.956 -8.462 1.00 0.63 H new ATOM 948 N ASP A 81 -7.881 -0.039 -7.377 1.00 0.64 N ATOM 949 CA ASP A 81 -9.300 -0.184 -7.700 1.00 0.70 C ATOM 950 C ASP A 81 -10.130 -0.144 -6.424 1.00 0.60 C ATOM 951 O ASP A 81 -11.208 0.452 -6.377 1.00 0.67 O ATOM 952 CB ASP A 81 -9.558 -1.494 -8.447 1.00 0.78 C ATOM 953 CG ASP A 81 -11.017 -1.662 -8.834 1.00 1.52 C ATOM 954 OD1 ASP A 81 -11.397 -1.225 -9.941 1.00 2.06 O ATOM 955 OD2 ASP A 81 -11.789 -2.238 -8.034 1.00 2.30 O ATOM 0 H ASP A 81 -7.305 -0.843 -7.626 1.00 0.64 H new ATOM 0 HA ASP A 81 -9.591 0.644 -8.346 1.00 0.70 H new ATOM 0 HB2 ASP A 81 -8.941 -1.525 -9.345 1.00 0.78 H new ATOM 0 HB3 ASP A 81 -9.252 -2.332 -7.821 1.00 0.78 H new ATOM 960 N ILE A 82 -9.598 -0.775 -5.389 1.00 0.50 N ATOM 961 CA ILE A 82 -10.211 -0.765 -4.069 1.00 0.45 C ATOM 962 C ILE A 82 -10.324 0.664 -3.542 1.00 0.48 C ATOM 963 O ILE A 82 -11.391 1.097 -3.103 1.00 0.61 O ATOM 964 CB ILE A 82 -9.380 -1.617 -3.086 1.00 0.41 C ATOM 965 CG1 ILE A 82 -9.448 -3.093 -3.482 1.00 0.51 C ATOM 966 CG2 ILE A 82 -9.849 -1.411 -1.655 1.00 0.46 C ATOM 967 CD1 ILE A 82 -8.530 -3.981 -2.672 1.00 0.61 C ATOM 0 H ILE A 82 -8.730 -1.308 -5.440 1.00 0.50 H new ATOM 0 HA ILE A 82 -11.211 -1.191 -4.154 1.00 0.45 H new ATOM 0 HB ILE A 82 -8.340 -1.293 -3.139 1.00 0.41 H new ATOM 0 HG12 ILE A 82 -10.473 -3.444 -3.367 1.00 0.51 H new ATOM 0 HG13 ILE A 82 -9.194 -3.189 -4.538 1.00 0.51 H new ATOM 0 HG21 ILE A 82 -9.247 -2.023 -0.983 1.00 0.46 H new ATOM 0 HG22 ILE A 82 -9.741 -0.361 -1.384 1.00 0.46 H new ATOM 0 HG23 ILE A 82 -10.896 -1.702 -1.570 1.00 0.46 H new ATOM 0 HD11 ILE A 82 -8.632 -5.013 -3.008 1.00 0.61 H new ATOM 0 HD12 ILE A 82 -7.498 -3.656 -2.806 1.00 0.61 H new ATOM 0 HD13 ILE A 82 -8.797 -3.915 -1.617 1.00 0.61 H new ATOM 974 N LEU A 83 -9.218 1.391 -3.610 1.00 0.44 N ATOM 975 CA LEU A 83 -9.169 2.773 -3.148 1.00 0.52 C ATOM 976 C LEU A 83 -10.034 3.671 -4.032 1.00 0.69 C ATOM 977 O LEU A 83 -10.658 4.614 -3.552 1.00 0.83 O ATOM 978 CB LEU A 83 -7.721 3.276 -3.129 1.00 0.47 C ATOM 979 CG LEU A 83 -6.890 2.898 -1.891 1.00 0.39 C ATOM 980 CD1 LEU A 83 -6.851 1.391 -1.676 1.00 0.32 C ATOM 981 CD2 LEU A 83 -5.479 3.442 -2.029 1.00 0.42 C ATOM 0 H LEU A 83 -8.335 1.044 -3.984 1.00 0.44 H new ATOM 0 HA LEU A 83 -9.566 2.810 -2.133 1.00 0.52 H new ATOM 0 HB2 LEU A 83 -7.213 2.892 -4.014 1.00 0.47 H new ATOM 0 HB3 LEU A 83 -7.734 4.363 -3.215 1.00 0.47 H new ATOM 0 HG LEU A 83 -7.369 3.344 -1.019 1.00 0.39 H new ATOM 0 HD11 LEU A 83 -6.255 1.165 -0.792 1.00 0.32 H new ATOM 0 HD12 LEU A 83 -7.865 1.017 -1.535 1.00 0.32 H new ATOM 0 HD13 LEU A 83 -6.405 0.911 -2.547 1.00 0.32 H new ATOM 0 HD21 LEU A 83 -4.897 3.170 -1.149 1.00 0.42 H new ATOM 0 HD22 LEU A 83 -5.011 3.019 -2.918 1.00 0.42 H new ATOM 0 HD23 LEU A 83 -5.515 4.528 -2.119 1.00 0.42 H new ATOM 993 N ASN A 84 -10.072 3.361 -5.324 1.00 0.74 N ATOM 994 CA ASN A 84 -10.920 4.077 -6.276 1.00 0.94 C ATOM 995 C ASN A 84 -12.381 3.978 -5.857 1.00 0.97 C ATOM 996 O ASN A 84 -13.150 4.929 -5.997 1.00 1.15 O ATOM 997 CB ASN A 84 -10.747 3.486 -7.681 1.00 1.04 C ATOM 998 CG ASN A 84 -11.608 4.174 -8.726 1.00 1.27 C ATOM 999 OD1 ASN A 84 -12.780 3.840 -8.898 1.00 1.83 O ATOM 1000 ND2 ASN A 84 -11.024 5.107 -9.461 1.00 1.79 N ATOM 0 H ASN A 84 -9.520 2.611 -5.741 1.00 0.74 H new ATOM 0 HA ASN A 84 -10.623 5.126 -6.287 1.00 0.94 H new ATOM 0 HB2 ASN A 84 -9.700 3.562 -7.974 1.00 1.04 H new ATOM 0 HB3 ASN A 84 -10.995 2.425 -7.656 1.00 1.04 H new ATOM 0 HD21 ASN A 84 -11.548 5.576 -10.200 1.00 1.79 H new ATOM 0 HD22 ASN A 84 -10.050 5.357 -9.288 1.00 1.79 H new ATOM 1007 N SER A 85 -12.743 2.823 -5.317 1.00 0.87 N ATOM 1008 CA SER A 85 -14.108 2.560 -4.895 1.00 0.93 C ATOM 1009 C SER A 85 -14.404 3.222 -3.549 1.00 0.91 C ATOM 1010 O SER A 85 -15.552 3.286 -3.114 1.00 1.01 O ATOM 1011 CB SER A 85 -14.332 1.050 -4.808 1.00 0.98 C ATOM 1012 OG SER A 85 -13.945 0.412 -6.017 1.00 1.50 O ATOM 0 H SER A 85 -12.101 2.046 -5.160 1.00 0.87 H new ATOM 0 HA SER A 85 -14.790 2.985 -5.631 1.00 0.93 H new ATOM 0 HB2 SER A 85 -13.759 0.640 -3.976 1.00 0.98 H new ATOM 0 HB3 SER A 85 -15.383 0.845 -4.604 1.00 0.98 H new ATOM 0 HG SER A 85 -12.968 0.349 -6.055 1.00 1.50 H new ATOM 1018 N ALA A 86 -13.361 3.724 -2.900 1.00 0.88 N ATOM 1019 CA ALA A 86 -13.501 4.352 -1.596 1.00 0.95 C ATOM 1020 C ALA A 86 -13.524 5.874 -1.723 1.00 1.14 C ATOM 1021 O ALA A 86 -12.791 6.581 -1.029 1.00 1.71 O ATOM 1022 CB ALA A 86 -12.375 3.906 -0.675 1.00 1.09 C ATOM 0 H ALA A 86 -12.406 3.707 -3.259 1.00 0.88 H new ATOM 0 HA ALA A 86 -14.451 4.038 -1.163 1.00 0.95 H new ATOM 0 HB1 ALA A 86 -12.491 4.383 0.298 1.00 1.09 H new ATOM 0 HB2 ALA A 86 -12.410 2.823 -0.555 1.00 1.09 H new ATOM 0 HB3 ALA A 86 -11.416 4.192 -1.108 1.00 1.09 H new ATOM 1162 N ALA B 17 -8.166 6.769 -7.292 1.00 0.94 N ATOM 1163 CA ALA B 17 -6.957 6.524 -6.530 1.00 0.81 C ATOM 1164 C ALA B 17 -5.735 6.985 -7.312 1.00 0.69 C ATOM 1165 O ALA B 17 -5.203 6.246 -8.144 1.00 0.71 O ATOM 1166 CB ALA B 17 -6.845 5.049 -6.177 1.00 1.09 C ATOM 0 HA ALA B 17 -7.006 7.096 -5.603 1.00 0.81 H new ATOM 0 HB1 ALA B 17 -5.933 4.880 -5.605 1.00 1.09 H new ATOM 0 HB2 ALA B 17 -7.707 4.751 -5.581 1.00 1.09 H new ATOM 0 HB3 ALA B 17 -6.815 4.457 -7.092 1.00 1.09 H new ATOM 1172 N SER B 18 -5.306 8.212 -7.057 1.00 0.64 N ATOM 1173 CA SER B 18 -4.154 8.769 -7.747 1.00 0.61 C ATOM 1174 C SER B 18 -2.865 8.193 -7.177 1.00 0.50 C ATOM 1175 O SER B 18 -2.853 7.704 -6.045 1.00 0.45 O ATOM 1176 CB SER B 18 -4.149 10.290 -7.621 1.00 0.67 C ATOM 1177 OG SER B 18 -5.460 10.808 -7.766 1.00 1.33 O ATOM 0 H SER B 18 -5.738 8.839 -6.379 1.00 0.64 H new ATOM 0 HA SER B 18 -4.219 8.503 -8.802 1.00 0.61 H new ATOM 0 HB2 SER B 18 -3.744 10.578 -6.651 1.00 0.67 H new ATOM 0 HB3 SER B 18 -3.496 10.721 -8.380 1.00 0.67 H new ATOM 0 HG SER B 18 -5.829 11.016 -6.882 1.00 1.33 H new ATOM 1183 N LYS B 19 -1.793 8.250 -7.955 1.00 0.50 N ATOM 1184 CA LYS B 19 -0.517 7.658 -7.561 1.00 0.43 C ATOM 1185 C LYS B 19 -0.087 8.146 -6.176 1.00 0.35 C ATOM 1186 O LYS B 19 0.161 7.343 -5.271 1.00 0.28 O ATOM 1187 CB LYS B 19 0.556 8.000 -8.599 1.00 0.54 C ATOM 1188 CG LYS B 19 0.194 7.567 -10.011 1.00 0.85 C ATOM 1189 CD LYS B 19 1.183 8.103 -11.034 1.00 1.13 C ATOM 1190 CE LYS B 19 0.776 7.735 -12.454 1.00 1.74 C ATOM 1191 NZ LYS B 19 0.853 6.269 -12.695 1.00 2.10 N ATOM 0 H LYS B 19 -1.780 8.703 -8.869 1.00 0.50 H new ATOM 0 HA LYS B 19 -0.640 6.576 -7.513 1.00 0.43 H new ATOM 0 HB2 LYS B 19 0.728 9.076 -8.591 1.00 0.54 H new ATOM 0 HB3 LYS B 19 1.494 7.525 -8.311 1.00 0.54 H new ATOM 0 HG2 LYS B 19 0.170 6.479 -10.063 1.00 0.85 H new ATOM 0 HG3 LYS B 19 -0.808 7.920 -10.254 1.00 0.85 H new ATOM 0 HD2 LYS B 19 1.249 9.187 -10.943 1.00 1.13 H new ATOM 0 HD3 LYS B 19 2.176 7.704 -10.825 1.00 1.13 H new ATOM 0 HE2 LYS B 19 -0.241 8.080 -12.640 1.00 1.74 H new ATOM 0 HE3 LYS B 19 1.423 8.253 -13.162 1.00 1.74 H new ATOM 0 HZ1 LYS B 19 0.472 6.052 -13.638 1.00 2.10 H new ATOM 0 HZ2 LYS B 19 1.845 5.960 -12.643 1.00 2.10 H new ATOM 0 HZ3 LYS B 19 0.296 5.769 -11.973 1.00 2.10 H new ATOM 1205 N GLU B 20 -0.035 9.465 -6.014 1.00 0.41 N ATOM 1206 CA GLU B 20 0.400 10.076 -4.761 1.00 0.42 C ATOM 1207 C GLU B 20 -0.511 9.686 -3.595 1.00 0.34 C ATOM 1208 O GLU B 20 -0.040 9.471 -2.480 1.00 0.30 O ATOM 1209 CB GLU B 20 0.445 11.601 -4.903 1.00 0.57 C ATOM 1210 CG GLU B 20 -0.894 12.222 -5.266 1.00 0.64 C ATOM 1211 CD GLU B 20 -0.833 13.729 -5.363 1.00 0.95 C ATOM 1212 OE1 GLU B 20 -0.521 14.249 -6.454 1.00 1.49 O ATOM 1213 OE2 GLU B 20 -1.102 14.403 -4.354 1.00 1.58 O ATOM 0 H GLU B 20 -0.290 10.135 -6.739 1.00 0.41 H new ATOM 0 HA GLU B 20 1.401 9.703 -4.542 1.00 0.42 H new ATOM 0 HB2 GLU B 20 0.794 12.034 -3.965 1.00 0.57 H new ATOM 0 HB3 GLU B 20 1.176 11.864 -5.667 1.00 0.57 H new ATOM 0 HG2 GLU B 20 -1.232 11.814 -6.219 1.00 0.64 H new ATOM 0 HG3 GLU B 20 -1.635 11.940 -4.518 1.00 0.64 H new ATOM 1220 N GLU B 21 -1.808 9.575 -3.867 1.00 0.37 N ATOM 1221 CA GLU B 21 -2.792 9.281 -2.829 1.00 0.39 C ATOM 1222 C GLU B 21 -2.601 7.877 -2.279 1.00 0.32 C ATOM 1223 O GLU B 21 -2.669 7.654 -1.068 1.00 0.33 O ATOM 1224 CB GLU B 21 -4.207 9.426 -3.384 1.00 0.50 C ATOM 1225 CG GLU B 21 -4.515 10.815 -3.912 1.00 0.62 C ATOM 1226 CD GLU B 21 -5.964 10.974 -4.319 1.00 0.91 C ATOM 1227 OE1 GLU B 21 -6.355 10.442 -5.378 1.00 1.54 O ATOM 1228 OE2 GLU B 21 -6.723 11.639 -3.580 1.00 1.49 O ATOM 0 H GLU B 21 -2.203 9.685 -4.801 1.00 0.37 H new ATOM 0 HA GLU B 21 -2.647 9.995 -2.018 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -4.349 8.702 -4.186 1.00 0.50 H new ATOM 0 HB3 GLU B 21 -4.923 9.178 -2.600 1.00 0.50 H new ATOM 0 HG2 GLU B 21 -4.273 11.553 -3.147 1.00 0.62 H new ATOM 0 HG3 GLU B 21 -3.875 11.024 -4.770 1.00 0.62 H new ATOM 1235 N ILE B 22 -2.360 6.935 -3.176 1.00 0.30 N ATOM 1236 CA ILE B 22 -2.147 5.552 -2.788 1.00 0.29 C ATOM 1237 C ILE B 22 -0.860 5.422 -1.989 1.00 0.24 C ATOM 1238 O ILE B 22 -0.843 4.818 -0.917 1.00 0.26 O ATOM 1239 CB ILE B 22 -2.084 4.632 -4.019 1.00 0.30 C ATOM 1240 CG1 ILE B 22 -3.339 4.819 -4.868 1.00 0.36 C ATOM 1241 CG2 ILE B 22 -1.937 3.177 -3.592 1.00 0.31 C ATOM 1242 CD1 ILE B 22 -3.283 4.109 -6.197 1.00 0.44 C ATOM 0 H ILE B 22 -2.307 7.104 -4.180 1.00 0.30 H new ATOM 0 HA ILE B 22 -2.991 5.246 -2.170 1.00 0.29 H new ATOM 0 HB ILE B 22 -1.212 4.899 -4.616 1.00 0.30 H new ATOM 0 HG12 ILE B 22 -4.202 4.458 -4.309 1.00 0.36 H new ATOM 0 HG13 ILE B 22 -3.494 5.884 -5.041 1.00 0.36 H new ATOM 0 HG21 ILE B 22 -1.894 2.541 -4.476 1.00 0.31 H new ATOM 0 HG22 ILE B 22 -1.020 3.058 -3.015 1.00 0.31 H new ATOM 0 HG23 ILE B 22 -2.791 2.890 -2.979 1.00 0.31 H new ATOM 0 HD11 ILE B 22 -4.209 4.287 -6.744 1.00 0.44 H new ATOM 0 HD12 ILE B 22 -2.440 4.487 -6.776 1.00 0.44 H new ATOM 0 HD13 ILE B 22 -3.159 3.039 -6.033 1.00 0.44 H new ATOM 1249 N ALA B 23 0.209 6.016 -2.511 1.00 0.20 N ATOM 1250 CA ALA B 23 1.499 6.006 -1.839 1.00 0.19 C ATOM 1251 C ALA B 23 1.386 6.617 -0.448 1.00 0.20 C ATOM 1252 O ALA B 23 1.988 6.126 0.505 1.00 0.20 O ATOM 1253 CB ALA B 23 2.528 6.760 -2.663 1.00 0.20 C ATOM 0 H ALA B 23 0.204 6.512 -3.402 1.00 0.20 H new ATOM 0 HA ALA B 23 1.823 4.971 -1.734 1.00 0.19 H new ATOM 0 HB1 ALA B 23 3.489 6.744 -2.148 1.00 0.20 H new ATOM 0 HB2 ALA B 23 2.632 6.285 -3.639 1.00 0.20 H new ATOM 0 HB3 ALA B 23 2.203 7.792 -2.794 1.00 0.20 H new ATOM 1259 N ALA B 24 0.594 7.680 -0.348 1.00 0.22 N ATOM 1260 CA ALA B 24 0.346 8.352 0.919 1.00 0.25 C ATOM 1261 C ALA B 24 -0.216 7.381 1.953 1.00 0.23 C ATOM 1262 O ALA B 24 0.269 7.305 3.082 1.00 0.25 O ATOM 1263 CB ALA B 24 -0.613 9.511 0.709 1.00 0.31 C ATOM 0 H ALA B 24 0.108 8.097 -1.142 1.00 0.22 H new ATOM 0 HA ALA B 24 1.294 8.735 1.297 1.00 0.25 H new ATOM 0 HB1 ALA B 24 -0.795 10.010 1.661 1.00 0.31 H new ATOM 0 HB2 ALA B 24 -0.178 10.220 0.005 1.00 0.31 H new ATOM 0 HB3 ALA B 24 -1.556 9.136 0.310 1.00 0.31 H new ATOM 1269 N LEU B 25 -1.233 6.630 1.556 1.00 0.23 N ATOM 1270 CA LEU B 25 -1.850 5.654 2.443 1.00 0.23 C ATOM 1271 C LEU B 25 -0.885 4.522 2.767 1.00 0.22 C ATOM 1272 O LEU B 25 -0.827 4.050 3.902 1.00 0.25 O ATOM 1273 CB LEU B 25 -3.117 5.084 1.809 1.00 0.26 C ATOM 1274 CG LEU B 25 -4.284 6.062 1.687 1.00 0.36 C ATOM 1275 CD1 LEU B 25 -5.429 5.414 0.933 1.00 0.46 C ATOM 1276 CD2 LEU B 25 -4.745 6.514 3.066 1.00 0.43 C ATOM 0 H LEU B 25 -1.648 6.678 0.626 1.00 0.23 H new ATOM 0 HA LEU B 25 -2.111 6.164 3.370 1.00 0.23 H new ATOM 0 HB2 LEU B 25 -2.870 4.713 0.814 1.00 0.26 H new ATOM 0 HB3 LEU B 25 -3.443 4.226 2.397 1.00 0.26 H new ATOM 0 HG LEU B 25 -3.950 6.938 1.132 1.00 0.36 H new ATOM 0 HD11 LEU B 25 -6.256 6.119 0.851 1.00 0.46 H new ATOM 0 HD12 LEU B 25 -5.094 5.131 -0.065 1.00 0.46 H new ATOM 0 HD13 LEU B 25 -5.761 4.525 1.470 1.00 0.46 H new ATOM 0 HD21 LEU B 25 -5.577 7.210 2.961 1.00 0.43 H new ATOM 0 HD22 LEU B 25 -5.067 5.648 3.644 1.00 0.43 H new ATOM 0 HD23 LEU B 25 -3.921 7.008 3.581 1.00 0.43 H new ATOM 1288 N ILE B 26 -0.129 4.099 1.763 1.00 0.20 N ATOM 1289 CA ILE B 26 0.827 3.014 1.923 1.00 0.21 C ATOM 1290 C ILE B 26 1.914 3.374 2.936 1.00 0.20 C ATOM 1291 O ILE B 26 2.168 2.617 3.878 1.00 0.22 O ATOM 1292 CB ILE B 26 1.470 2.635 0.570 1.00 0.22 C ATOM 1293 CG1 ILE B 26 0.407 2.068 -0.377 1.00 0.26 C ATOM 1294 CG2 ILE B 26 2.597 1.632 0.769 1.00 0.24 C ATOM 1295 CD1 ILE B 26 0.926 1.755 -1.762 1.00 0.27 C ATOM 0 H ILE B 26 -0.161 4.494 0.823 1.00 0.20 H new ATOM 0 HA ILE B 26 0.277 2.152 2.301 1.00 0.21 H new ATOM 0 HB ILE B 26 1.894 3.535 0.124 1.00 0.22 H new ATOM 0 HG12 ILE B 26 -0.007 1.159 0.059 1.00 0.26 H new ATOM 0 HG13 ILE B 26 -0.411 2.783 -0.459 1.00 0.26 H new ATOM 0 HG21 ILE B 26 3.035 1.380 -0.197 1.00 0.24 H new ATOM 0 HG22 ILE B 26 3.362 2.067 1.412 1.00 0.24 H new ATOM 0 HG23 ILE B 26 2.202 0.729 1.235 1.00 0.24 H new ATOM 0 HD11 ILE B 26 0.115 1.358 -2.373 1.00 0.27 H new ATOM 0 HD12 ILE B 26 1.313 2.665 -2.220 1.00 0.27 H new ATOM 0 HD13 ILE B 26 1.724 1.016 -1.693 1.00 0.27 H new ATOM 1302 N VAL B 27 2.538 4.537 2.762 1.00 0.18 N ATOM 1303 CA VAL B 27 3.606 4.958 3.663 1.00 0.20 C ATOM 1304 C VAL B 27 3.062 5.241 5.059 1.00 0.22 C ATOM 1305 O VAL B 27 3.718 4.946 6.057 1.00 0.23 O ATOM 1306 CB VAL B 27 4.381 6.196 3.145 1.00 0.21 C ATOM 1307 CG1 VAL B 27 5.050 5.891 1.816 1.00 0.21 C ATOM 1308 CG2 VAL B 27 3.476 7.413 3.018 1.00 0.21 C ATOM 0 H VAL B 27 2.325 5.197 2.014 1.00 0.18 H new ATOM 0 HA VAL B 27 4.309 4.126 3.706 1.00 0.20 H new ATOM 0 HB VAL B 27 5.151 6.431 3.880 1.00 0.21 H new ATOM 0 HG11 VAL B 27 5.589 6.773 1.469 1.00 0.21 H new ATOM 0 HG12 VAL B 27 5.749 5.064 1.942 1.00 0.21 H new ATOM 0 HG13 VAL B 27 4.292 5.617 1.082 1.00 0.21 H new ATOM 0 HG21 VAL B 27 4.055 8.261 2.652 1.00 0.21 H new ATOM 0 HG22 VAL B 27 2.670 7.195 2.318 1.00 0.21 H new ATOM 0 HG23 VAL B 27 3.054 7.656 3.993 1.00 0.21 H new ATOM 1312 N ASN B 28 1.849 5.783 5.130 1.00 0.25 N ATOM 1313 CA ASN B 28 1.240 6.099 6.417 1.00 0.32 C ATOM 1314 C ASN B 28 0.852 4.818 7.147 1.00 0.27 C ATOM 1315 O ASN B 28 0.880 4.761 8.376 1.00 0.28 O ATOM 1316 CB ASN B 28 0.013 7.000 6.243 1.00 0.44 C ATOM 1317 CG ASN B 28 -0.495 7.547 7.567 1.00 0.67 C ATOM 1318 OD1 ASN B 28 0.273 7.729 8.512 1.00 1.58 O ATOM 1319 ND2 ASN B 28 -1.788 7.826 7.642 1.00 0.86 N ATOM 0 H ASN B 28 1.274 6.010 4.319 1.00 0.25 H new ATOM 0 HA ASN B 28 1.975 6.639 7.013 1.00 0.32 H new ATOM 0 HB2 ASN B 28 0.265 7.830 5.583 1.00 0.44 H new ATOM 0 HB3 ASN B 28 -0.783 6.436 5.756 1.00 0.44 H new ATOM 0 HD21 ASN B 28 -2.179 8.205 8.504 1.00 0.86 H new ATOM 0 HD22 ASN B 28 -2.393 7.661 6.837 1.00 0.86 H new ATOM 1326 N TYR B 29 0.498 3.783 6.390 1.00 0.25 N ATOM 1327 CA TYR B 29 0.195 2.490 6.983 1.00 0.24 C ATOM 1328 C TYR B 29 1.450 1.896 7.607 1.00 0.18 C ATOM 1329 O TYR B 29 1.452 1.527 8.776 1.00 0.19 O ATOM 1330 CB TYR B 29 -0.396 1.518 5.955 1.00 0.28 C ATOM 1331 CG TYR B 29 -0.623 0.129 6.517 1.00 0.31 C ATOM 1332 CD1 TYR B 29 -1.406 -0.057 7.649 1.00 1.23 C ATOM 1333 CD2 TYR B 29 -0.034 -0.986 5.936 1.00 1.20 C ATOM 1334 CE1 TYR B 29 -1.601 -1.316 8.184 1.00 1.25 C ATOM 1335 CE2 TYR B 29 -0.221 -2.250 6.468 1.00 1.22 C ATOM 1336 CZ TYR B 29 -1.005 -2.408 7.593 1.00 0.42 C ATOM 1337 OH TYR B 29 -1.186 -3.663 8.134 1.00 0.49 O ATOM 0 H TYR B 29 0.415 3.816 5.374 1.00 0.25 H new ATOM 0 HA TYR B 29 -0.555 2.647 7.758 1.00 0.24 H new ATOM 0 HB2 TYR B 29 -1.343 1.915 5.590 1.00 0.28 H new ATOM 0 HB3 TYR B 29 0.274 1.452 5.098 1.00 0.28 H new ATOM 0 HD1 TYR B 29 -1.870 0.797 8.119 1.00 1.23 H new ATOM 0 HD2 TYR B 29 0.579 -0.865 5.055 1.00 1.20 H new ATOM 0 HE1 TYR B 29 -2.218 -1.443 9.061 1.00 1.25 H new ATOM 0 HE2 TYR B 29 0.244 -3.108 6.005 1.00 1.22 H new ATOM 0 HH TYR B 29 -0.700 -4.324 7.598 1.00 0.49 H new ATOM 1347 N PHE B 30 2.523 1.828 6.829 1.00 0.16 N ATOM 1348 CA PHE B 30 3.788 1.302 7.330 1.00 0.16 C ATOM 1349 C PHE B 30 4.278 2.122 8.520 1.00 0.18 C ATOM 1350 O PHE B 30 4.813 1.578 9.487 1.00 0.21 O ATOM 1351 CB PHE B 30 4.853 1.300 6.231 1.00 0.19 C ATOM 1352 CG PHE B 30 4.568 0.379 5.073 1.00 0.19 C ATOM 1353 CD1 PHE B 30 3.809 -0.771 5.237 1.00 1.17 C ATOM 1354 CD2 PHE B 30 5.086 0.660 3.819 1.00 1.20 C ATOM 1355 CE1 PHE B 30 3.572 -1.617 4.172 1.00 1.16 C ATOM 1356 CE2 PHE B 30 4.848 -0.184 2.750 1.00 1.22 C ATOM 1357 CZ PHE B 30 4.091 -1.323 2.929 1.00 0.25 C ATOM 0 H PHE B 30 2.544 2.128 5.854 1.00 0.16 H new ATOM 0 HA PHE B 30 3.616 0.275 7.653 1.00 0.16 H new ATOM 0 HB2 PHE B 30 4.963 2.315 5.850 1.00 0.19 H new ATOM 0 HB3 PHE B 30 5.809 1.020 6.673 1.00 0.19 H new ATOM 0 HD1 PHE B 30 3.399 -1.007 6.208 1.00 1.17 H new ATOM 0 HD2 PHE B 30 5.683 1.549 3.675 1.00 1.20 H new ATOM 0 HE1 PHE B 30 2.980 -2.509 4.313 1.00 1.16 H new ATOM 0 HE2 PHE B 30 5.254 0.048 1.777 1.00 1.22 H new ATOM 0 HZ PHE B 30 3.905 -1.984 2.096 1.00 0.25 H new ATOM 1367 N SER B 31 4.076 3.432 8.445 1.00 0.21 N ATOM 1368 CA SER B 31 4.469 4.336 9.514 1.00 0.26 C ATOM 1369 C SER B 31 3.691 4.034 10.795 1.00 0.25 C ATOM 1370 O SER B 31 4.260 4.008 11.885 1.00 0.27 O ATOM 1371 CB SER B 31 4.244 5.788 9.082 1.00 0.35 C ATOM 1372 OG SER B 31 4.696 6.702 10.069 1.00 1.15 O ATOM 0 H SER B 31 3.638 3.893 7.647 1.00 0.21 H new ATOM 0 HA SER B 31 5.529 4.188 9.719 1.00 0.26 H new ATOM 0 HB2 SER B 31 4.768 5.975 8.145 1.00 0.35 H new ATOM 0 HB3 SER B 31 3.183 5.952 8.892 1.00 0.35 H new ATOM 0 HG SER B 31 4.539 7.619 9.762 1.00 1.15 H new ATOM 1378 N SER B 32 2.396 3.782 10.662 1.00 0.27 N ATOM 1379 CA SER B 32 1.562 3.502 11.821 1.00 0.30 C ATOM 1380 C SER B 32 1.798 2.082 12.341 1.00 0.28 C ATOM 1381 O SER B 32 1.502 1.779 13.499 1.00 0.36 O ATOM 1382 CB SER B 32 0.086 3.732 11.484 1.00 0.40 C ATOM 1383 OG SER B 32 -0.254 3.153 10.238 1.00 0.99 O ATOM 0 H SER B 32 1.903 3.766 9.769 1.00 0.27 H new ATOM 0 HA SER B 32 1.841 4.191 12.618 1.00 0.30 H new ATOM 0 HB2 SER B 32 -0.539 3.305 12.268 1.00 0.40 H new ATOM 0 HB3 SER B 32 -0.121 4.802 11.459 1.00 0.40 H new ATOM 0 HG SER B 32 0.001 3.762 9.514 1.00 0.99 H new ATOM 1389 N ILE B 33 2.334 1.215 11.484 1.00 0.24 N ATOM 1390 CA ILE B 33 2.723 -0.128 11.900 1.00 0.27 C ATOM 1391 C ILE B 33 3.871 -0.058 12.899 1.00 0.26 C ATOM 1392 O ILE B 33 3.782 -0.586 14.007 1.00 0.32 O ATOM 1393 CB ILE B 33 3.165 -1.006 10.706 1.00 0.30 C ATOM 1394 CG1 ILE B 33 2.003 -1.272 9.753 1.00 0.30 C ATOM 1395 CG2 ILE B 33 3.745 -2.324 11.197 1.00 0.44 C ATOM 1396 CD1 ILE B 33 2.380 -2.164 8.591 1.00 0.34 C ATOM 0 H ILE B 33 2.508 1.419 10.500 1.00 0.24 H new ATOM 0 HA ILE B 33 1.844 -0.582 12.357 1.00 0.27 H new ATOM 0 HB ILE B 33 3.935 -0.459 10.162 1.00 0.30 H new ATOM 0 HG12 ILE B 33 1.185 -1.733 10.307 1.00 0.30 H new ATOM 0 HG13 ILE B 33 1.632 -0.322 9.368 1.00 0.30 H new ATOM 0 HG21 ILE B 33 4.050 -2.928 10.343 1.00 0.44 H new ATOM 0 HG22 ILE B 33 4.610 -2.127 11.830 1.00 0.44 H new ATOM 0 HG23 ILE B 33 2.991 -2.862 11.771 1.00 0.44 H new ATOM 0 HD11 ILE B 33 1.511 -2.315 7.951 1.00 0.34 H new ATOM 0 HD12 ILE B 33 3.177 -1.694 8.015 1.00 0.34 H new ATOM 0 HD13 ILE B 33 2.724 -3.127 8.968 1.00 0.34 H new ATOM 1403 N VAL B 34 4.943 0.615 12.502 1.00 0.25 N ATOM 1404 CA VAL B 34 6.135 0.720 13.336 1.00 0.31 C ATOM 1405 C VAL B 34 5.887 1.639 14.528 1.00 0.37 C ATOM 1406 O VAL B 34 6.587 1.567 15.536 1.00 0.47 O ATOM 1407 CB VAL B 34 7.350 1.230 12.528 1.00 0.34 C ATOM 1408 CG1 VAL B 34 7.633 0.309 11.354 1.00 0.35 C ATOM 1409 CG2 VAL B 34 7.130 2.656 12.043 1.00 0.33 C ATOM 0 H VAL B 34 5.012 1.098 11.606 1.00 0.25 H new ATOM 0 HA VAL B 34 6.361 -0.282 13.701 1.00 0.31 H new ATOM 0 HB VAL B 34 8.216 1.229 13.190 1.00 0.34 H new ATOM 0 HG11 VAL B 34 8.491 0.684 10.796 1.00 0.35 H new ATOM 0 HG12 VAL B 34 7.849 -0.694 11.722 1.00 0.35 H new ATOM 0 HG13 VAL B 34 6.762 0.276 10.700 1.00 0.35 H new ATOM 0 HG21 VAL B 34 8.002 2.987 11.478 1.00 0.33 H new ATOM 0 HG22 VAL B 34 6.248 2.691 11.403 1.00 0.33 H new ATOM 0 HG23 VAL B 34 6.982 3.313 12.900 1.00 0.33 H new ATOM 1413 N GLU B 35 4.876 2.488 14.400 1.00 0.35 N ATOM 1414 CA GLU B 35 4.505 3.423 15.452 1.00 0.46 C ATOM 1415 C GLU B 35 4.046 2.682 16.707 1.00 0.51 C ATOM 1416 O GLU B 35 4.518 2.957 17.809 1.00 0.62 O ATOM 1417 CB GLU B 35 3.401 4.350 14.940 1.00 0.51 C ATOM 1418 CG GLU B 35 2.967 5.416 15.929 1.00 0.70 C ATOM 1419 CD GLU B 35 1.968 6.376 15.323 1.00 1.49 C ATOM 1420 OE1 GLU B 35 0.771 6.024 15.238 1.00 2.22 O ATOM 1421 OE2 GLU B 35 2.377 7.484 14.912 1.00 2.19 O ATOM 0 H GLU B 35 4.292 2.547 13.566 1.00 0.35 H new ATOM 0 HA GLU B 35 5.379 4.017 15.721 1.00 0.46 H new ATOM 0 HB2 GLU B 35 3.747 4.837 14.028 1.00 0.51 H new ATOM 0 HB3 GLU B 35 2.534 3.747 14.670 1.00 0.51 H new ATOM 0 HG2 GLU B 35 2.527 4.940 16.806 1.00 0.70 H new ATOM 0 HG3 GLU B 35 3.841 5.970 16.272 1.00 0.70 H new ATOM 1428 N LYS B 36 3.144 1.723 16.534 1.00 0.47 N ATOM 1429 CA LYS B 36 2.603 0.980 17.668 1.00 0.55 C ATOM 1430 C LYS B 36 3.180 -0.431 17.743 1.00 0.51 C ATOM 1431 O LYS B 36 2.639 -1.301 18.427 1.00 0.61 O ATOM 1432 CB LYS B 36 1.077 0.929 17.600 1.00 0.67 C ATOM 1433 CG LYS B 36 0.535 0.490 16.250 1.00 0.71 C ATOM 1434 CD LYS B 36 -0.981 0.384 16.267 1.00 0.98 C ATOM 1435 CE LYS B 36 -1.542 0.122 14.880 1.00 1.42 C ATOM 1436 NZ LYS B 36 -1.275 1.252 13.952 1.00 2.08 N ATOM 0 H LYS B 36 2.773 1.442 15.626 1.00 0.47 H new ATOM 0 HA LYS B 36 2.897 1.507 18.576 1.00 0.55 H new ATOM 0 HB2 LYS B 36 0.712 0.246 18.367 1.00 0.67 H new ATOM 0 HB3 LYS B 36 0.679 1.916 17.837 1.00 0.67 H new ATOM 0 HG2 LYS B 36 0.843 1.202 15.484 1.00 0.71 H new ATOM 0 HG3 LYS B 36 0.965 -0.474 15.980 1.00 0.71 H new ATOM 0 HD2 LYS B 36 -1.282 -0.420 16.939 1.00 0.98 H new ATOM 0 HD3 LYS B 36 -1.406 1.306 16.663 1.00 0.98 H new ATOM 0 HE2 LYS B 36 -1.103 -0.790 14.477 1.00 1.42 H new ATOM 0 HE3 LYS B 36 -2.617 -0.045 14.949 1.00 1.42 H new ATOM 0 HZ1 LYS B 36 -1.840 1.132 13.087 1.00 2.08 H new ATOM 0 HZ2 LYS B 36 -1.534 2.148 14.412 1.00 2.08 H new ATOM 0 HZ3 LYS B 36 -0.265 1.268 13.706 1.00 2.08 H new ATOM 1450 N LYS B 37 4.284 -0.633 17.023 1.00 0.48 N ATOM 1451 CA LYS B 37 5.001 -1.909 16.996 1.00 0.55 C ATOM 1452 C LYS B 37 4.077 -3.059 16.588 1.00 0.59 C ATOM 1453 O LYS B 37 3.757 -3.940 17.385 1.00 0.76 O ATOM 1454 CB LYS B 37 5.656 -2.187 18.353 1.00 0.72 C ATOM 1455 CG LYS B 37 6.666 -3.324 18.325 1.00 1.19 C ATOM 1456 CD LYS B 37 7.406 -3.441 19.647 1.00 1.42 C ATOM 1457 CE LYS B 37 8.437 -4.556 19.616 1.00 1.99 C ATOM 1458 NZ LYS B 37 9.212 -4.628 20.881 1.00 2.60 N ATOM 0 H LYS B 37 4.708 0.088 16.439 1.00 0.48 H new ATOM 0 HA LYS B 37 5.787 -1.837 16.244 1.00 0.55 H new ATOM 0 HB2 LYS B 37 6.153 -1.280 18.699 1.00 0.72 H new ATOM 0 HB3 LYS B 37 4.879 -2.422 19.080 1.00 0.72 H new ATOM 0 HG2 LYS B 37 6.154 -4.262 18.108 1.00 1.19 H new ATOM 0 HG3 LYS B 37 7.381 -3.158 17.519 1.00 1.19 H new ATOM 0 HD2 LYS B 37 7.899 -2.496 19.873 1.00 1.42 H new ATOM 0 HD3 LYS B 37 6.692 -3.628 20.449 1.00 1.42 H new ATOM 0 HE2 LYS B 37 7.937 -5.509 19.442 1.00 1.99 H new ATOM 0 HE3 LYS B 37 9.119 -4.397 18.781 1.00 1.99 H new ATOM 0 HZ1 LYS B 37 9.905 -5.401 20.820 1.00 2.60 H new ATOM 0 HZ2 LYS B 37 9.710 -3.728 21.035 1.00 2.60 H new ATOM 0 HZ3 LYS B 37 8.564 -4.805 21.675 1.00 2.60 H new ATOM 1472 N GLU B 38 3.658 -3.039 15.333 1.00 0.54 N ATOM 1473 CA GLU B 38 2.793 -4.075 14.788 1.00 0.69 C ATOM 1474 C GLU B 38 3.586 -4.973 13.860 1.00 0.69 C ATOM 1475 O GLU B 38 3.034 -5.847 13.190 1.00 1.03 O ATOM 1476 CB GLU B 38 1.619 -3.454 14.032 1.00 0.79 C ATOM 1477 CG GLU B 38 0.448 -3.092 14.922 1.00 1.35 C ATOM 1478 CD GLU B 38 -0.145 -4.307 15.598 1.00 1.41 C ATOM 1479 OE1 GLU B 38 -0.583 -5.232 14.884 1.00 1.86 O ATOM 1480 OE2 GLU B 38 -0.162 -4.353 16.841 1.00 2.11 O ATOM 0 H GLU B 38 3.906 -2.309 14.666 1.00 0.54 H new ATOM 0 HA GLU B 38 2.399 -4.667 15.614 1.00 0.69 H new ATOM 0 HB2 GLU B 38 1.963 -2.558 13.516 1.00 0.79 H new ATOM 0 HB3 GLU B 38 1.281 -4.152 13.266 1.00 0.79 H new ATOM 0 HG2 GLU B 38 0.775 -2.379 15.679 1.00 1.35 H new ATOM 0 HG3 GLU B 38 -0.320 -2.597 14.328 1.00 1.35 H new ATOM 1487 N ILE B 39 4.880 -4.730 13.816 1.00 0.42 N ATOM 1488 CA ILE B 39 5.774 -5.497 12.976 1.00 0.43 C ATOM 1489 C ILE B 39 7.054 -5.826 13.740 1.00 0.48 C ATOM 1490 O ILE B 39 7.370 -5.173 14.739 1.00 0.52 O ATOM 1491 CB ILE B 39 6.100 -4.711 11.687 1.00 0.38 C ATOM 1492 CG1 ILE B 39 6.659 -5.639 10.609 1.00 0.46 C ATOM 1493 CG2 ILE B 39 7.073 -3.575 11.977 1.00 0.36 C ATOM 1494 CD1 ILE B 39 6.786 -4.977 9.257 1.00 0.47 C ATOM 0 H ILE B 39 5.339 -3.999 14.359 1.00 0.42 H new ATOM 0 HA ILE B 39 5.285 -6.430 12.697 1.00 0.43 H new ATOM 0 HB ILE B 39 5.172 -4.278 11.313 1.00 0.38 H new ATOM 0 HG12 ILE B 39 7.639 -6.000 10.922 1.00 0.46 H new ATOM 0 HG13 ILE B 39 6.012 -6.511 10.519 1.00 0.46 H new ATOM 0 HG21 ILE B 39 7.288 -3.036 11.055 1.00 0.36 H new ATOM 0 HG22 ILE B 39 6.630 -2.892 12.702 1.00 0.36 H new ATOM 0 HG23 ILE B 39 7.999 -3.983 12.383 1.00 0.36 H new ATOM 0 HD11 ILE B 39 7.189 -5.691 8.539 1.00 0.47 H new ATOM 0 HD12 ILE B 39 5.805 -4.640 8.923 1.00 0.47 H new ATOM 0 HD13 ILE B 39 7.457 -4.121 9.333 1.00 0.47 H new ATOM 1501 N SER B 40 7.768 -6.844 13.282 1.00 0.55 N ATOM 1502 CA SER B 40 9.011 -7.257 13.912 1.00 0.62 C ATOM 1503 C SER B 40 10.083 -6.176 13.758 1.00 0.53 C ATOM 1504 O SER B 40 10.038 -5.399 12.802 1.00 0.48 O ATOM 1505 CB SER B 40 9.490 -8.570 13.291 1.00 0.77 C ATOM 1506 OG SER B 40 8.436 -9.518 13.230 1.00 1.82 O ATOM 0 H SER B 40 7.504 -7.402 12.470 1.00 0.55 H new ATOM 0 HA SER B 40 8.831 -7.407 14.977 1.00 0.62 H new ATOM 0 HB2 SER B 40 9.874 -8.383 12.288 1.00 0.77 H new ATOM 0 HB3 SER B 40 10.314 -8.975 13.878 1.00 0.77 H new ATOM 0 HG SER B 40 8.766 -10.349 12.828 1.00 1.82 H new ATOM 1512 N GLU B 41 11.033 -6.123 14.689 1.00 0.59 N ATOM 1513 CA GLU B 41 12.073 -5.091 14.677 1.00 0.60 C ATOM 1514 C GLU B 41 12.760 -5.008 13.316 1.00 0.49 C ATOM 1515 O GLU B 41 12.914 -3.919 12.751 1.00 0.46 O ATOM 1516 CB GLU B 41 13.116 -5.369 15.759 1.00 0.78 C ATOM 1517 CG GLU B 41 12.548 -5.394 17.168 1.00 1.08 C ATOM 1518 CD GLU B 41 13.613 -5.642 18.211 1.00 1.44 C ATOM 1519 OE1 GLU B 41 14.021 -6.810 18.388 1.00 1.99 O ATOM 1520 OE2 GLU B 41 14.058 -4.666 18.853 1.00 2.19 O ATOM 0 H GLU B 41 11.106 -6.783 15.463 1.00 0.59 H new ATOM 0 HA GLU B 41 11.588 -4.136 14.878 1.00 0.60 H new ATOM 0 HB2 GLU B 41 13.593 -6.327 15.553 1.00 0.78 H new ATOM 0 HB3 GLU B 41 13.894 -4.607 15.705 1.00 0.78 H new ATOM 0 HG2 GLU B 41 12.054 -4.445 17.375 1.00 1.08 H new ATOM 0 HG3 GLU B 41 11.787 -6.171 17.237 1.00 1.08 H new ATOM 1527 N ASP B 42 13.150 -6.167 12.790 1.00 0.52 N ATOM 1528 CA ASP B 42 13.813 -6.246 11.491 1.00 0.51 C ATOM 1529 C ASP B 42 12.946 -5.626 10.407 1.00 0.43 C ATOM 1530 O ASP B 42 13.418 -4.819 9.607 1.00 0.47 O ATOM 1531 CB ASP B 42 14.124 -7.699 11.119 1.00 0.61 C ATOM 1532 CG ASP B 42 15.123 -8.347 12.051 1.00 1.49 C ATOM 1533 OD1 ASP B 42 16.306 -7.948 12.031 1.00 2.29 O ATOM 1534 OD2 ASP B 42 14.735 -9.256 12.813 1.00 2.20 O ATOM 0 H ASP B 42 13.017 -7.069 13.247 1.00 0.52 H new ATOM 0 HA ASP B 42 14.748 -5.692 11.567 1.00 0.51 H new ATOM 0 HB2 ASP B 42 13.200 -8.276 11.128 1.00 0.61 H new ATOM 0 HB3 ASP B 42 14.511 -7.733 10.101 1.00 0.61 H new ATOM 1539 N GLY B 43 11.672 -5.992 10.408 1.00 0.39 N ATOM 1540 CA GLY B 43 10.753 -5.499 9.404 1.00 0.37 C ATOM 1541 C GLY B 43 10.515 -4.010 9.516 1.00 0.34 C ATOM 1542 O GLY B 43 10.356 -3.326 8.506 1.00 0.34 O ATOM 0 H GLY B 43 11.257 -6.626 11.091 1.00 0.39 H new ATOM 0 HA2 GLY B 43 11.146 -5.727 8.413 1.00 0.37 H new ATOM 0 HA3 GLY B 43 9.802 -6.023 9.498 1.00 0.37 H new ATOM 1546 N ALA B 44 10.500 -3.506 10.744 1.00 0.33 N ATOM 1547 CA ALA B 44 10.350 -2.076 10.983 1.00 0.33 C ATOM 1548 C ALA B 44 11.483 -1.308 10.315 1.00 0.32 C ATOM 1549 O ALA B 44 11.271 -0.263 9.696 1.00 0.31 O ATOM 1550 CB ALA B 44 10.320 -1.791 12.478 1.00 0.38 C ATOM 0 H ALA B 44 10.590 -4.067 11.591 1.00 0.33 H new ATOM 0 HA ALA B 44 9.406 -1.745 10.550 1.00 0.33 H new ATOM 0 HB1 ALA B 44 10.208 -0.719 12.642 1.00 0.38 H new ATOM 0 HB2 ALA B 44 9.481 -2.318 12.932 1.00 0.38 H new ATOM 0 HB3 ALA B 44 11.250 -2.132 12.932 1.00 0.38 H new ATOM 1556 N ASP B 45 12.684 -1.859 10.426 1.00 0.36 N ATOM 1557 CA ASP B 45 13.866 -1.262 9.821 1.00 0.38 C ATOM 1558 C ASP B 45 13.770 -1.318 8.300 1.00 0.36 C ATOM 1559 O ASP B 45 14.079 -0.342 7.609 1.00 0.37 O ATOM 1560 CB ASP B 45 15.121 -1.992 10.299 1.00 0.48 C ATOM 1561 CG ASP B 45 16.386 -1.429 9.693 1.00 1.11 C ATOM 1562 OD1 ASP B 45 16.932 -0.451 10.250 1.00 1.84 O ATOM 1563 OD2 ASP B 45 16.843 -1.966 8.664 1.00 1.81 O ATOM 0 H ASP B 45 12.866 -2.725 10.933 1.00 0.36 H new ATOM 0 HA ASP B 45 13.927 -0.217 10.125 1.00 0.38 H new ATOM 0 HB2 ASP B 45 15.183 -1.928 11.385 1.00 0.48 H new ATOM 0 HB3 ASP B 45 15.041 -3.049 10.046 1.00 0.48 H new ATOM 1568 N SER B 46 13.322 -2.460 7.788 1.00 0.37 N ATOM 1569 CA SER B 46 13.142 -2.646 6.355 1.00 0.40 C ATOM 1570 C SER B 46 12.132 -1.642 5.799 1.00 0.36 C ATOM 1571 O SER B 46 12.311 -1.103 4.706 1.00 0.38 O ATOM 1572 CB SER B 46 12.678 -4.077 6.077 1.00 0.50 C ATOM 1573 OG SER B 46 13.514 -5.016 6.738 1.00 0.98 O ATOM 0 H SER B 46 13.076 -3.275 8.350 1.00 0.37 H new ATOM 0 HA SER B 46 14.096 -2.475 5.857 1.00 0.40 H new ATOM 0 HB2 SER B 46 11.648 -4.202 6.412 1.00 0.50 H new ATOM 0 HB3 SER B 46 12.689 -4.266 5.004 1.00 0.50 H new ATOM 0 HG SER B 46 14.202 -5.335 6.117 1.00 0.98 H new ATOM 1579 N LEU B 47 11.078 -1.376 6.567 1.00 0.32 N ATOM 1580 CA LEU B 47 10.059 -0.412 6.163 1.00 0.30 C ATOM 1581 C LEU B 47 10.632 0.997 6.057 1.00 0.27 C ATOM 1582 O LEU B 47 10.139 1.812 5.283 1.00 0.28 O ATOM 1583 CB LEU B 47 8.882 -0.417 7.143 1.00 0.30 C ATOM 1584 CG LEU B 47 7.971 -1.644 7.067 1.00 0.35 C ATOM 1585 CD1 LEU B 47 6.852 -1.541 8.093 1.00 0.39 C ATOM 1586 CD2 LEU B 47 7.395 -1.789 5.666 1.00 0.41 C ATOM 0 H LEU B 47 10.908 -1.815 7.472 1.00 0.32 H new ATOM 0 HA LEU B 47 9.704 -0.715 5.178 1.00 0.30 H new ATOM 0 HB2 LEU B 47 9.275 -0.339 8.157 1.00 0.30 H new ATOM 0 HB3 LEU B 47 8.279 0.474 6.965 1.00 0.30 H new ATOM 0 HG LEU B 47 8.564 -2.530 7.292 1.00 0.35 H new ATOM 0 HD11 LEU B 47 6.214 -2.422 8.025 1.00 0.39 H new ATOM 0 HD12 LEU B 47 7.280 -1.480 9.093 1.00 0.39 H new ATOM 0 HD13 LEU B 47 6.259 -0.648 7.897 1.00 0.39 H new ATOM 0 HD21 LEU B 47 6.749 -2.666 5.627 1.00 0.41 H new ATOM 0 HD22 LEU B 47 6.815 -0.900 5.417 1.00 0.41 H new ATOM 0 HD23 LEU B 47 8.208 -1.905 4.949 1.00 0.41 H new ATOM 1598 N ASN B 48 11.676 1.280 6.827 1.00 0.26 N ATOM 1599 CA ASN B 48 12.285 2.606 6.811 1.00 0.26 C ATOM 1600 C ASN B 48 12.953 2.891 5.469 1.00 0.27 C ATOM 1601 O ASN B 48 12.645 3.897 4.824 1.00 0.32 O ATOM 1602 CB ASN B 48 13.295 2.772 7.950 1.00 0.28 C ATOM 1603 CG ASN B 48 12.643 3.140 9.274 1.00 0.33 C ATOM 1604 OD1 ASN B 48 11.434 2.656 9.509 1.00 0.48 O flip ATOM 1605 ND2 ASN B 48 13.229 3.852 10.087 1.00 0.40 N flip ATOM 0 H ASN B 48 12.116 0.617 7.465 1.00 0.26 H new ATOM 0 HA ASN B 48 11.483 3.329 6.958 1.00 0.26 H new ATOM 0 HB2 ASN B 48 13.853 1.843 8.072 1.00 0.28 H new ATOM 0 HB3 ASN B 48 14.016 3.544 7.679 1.00 0.28 H new ATOM 0 HD21 ASN B 48 14.161 4.209 9.874 1.00 0.40 H new ATOM 0 HD22 ASN B 48 12.784 4.086 10.974 1.00 0.40 H new ATOM 1612 N VAL B 49 13.853 2.007 5.033 1.00 0.27 N ATOM 1613 CA VAL B 49 14.523 2.195 3.745 1.00 0.29 C ATOM 1614 C VAL B 49 13.512 2.106 2.606 1.00 0.29 C ATOM 1615 O VAL B 49 13.606 2.836 1.617 1.00 0.32 O ATOM 1616 CB VAL B 49 15.675 1.181 3.511 1.00 0.32 C ATOM 1617 CG1 VAL B 49 15.174 -0.255 3.519 1.00 0.34 C ATOM 1618 CG2 VAL B 49 16.401 1.481 2.203 1.00 0.36 C ATOM 0 H VAL B 49 14.131 1.168 5.542 1.00 0.27 H new ATOM 0 HA VAL B 49 14.971 3.189 3.766 1.00 0.29 H new ATOM 0 HB VAL B 49 16.377 1.292 4.337 1.00 0.32 H new ATOM 0 HG11 VAL B 49 16.011 -0.933 3.352 1.00 0.34 H new ATOM 0 HG12 VAL B 49 14.715 -0.475 4.483 1.00 0.34 H new ATOM 0 HG13 VAL B 49 14.436 -0.387 2.728 1.00 0.34 H new ATOM 0 HG21 VAL B 49 17.204 0.759 2.059 1.00 0.36 H new ATOM 0 HG22 VAL B 49 15.698 1.413 1.373 1.00 0.36 H new ATOM 0 HG23 VAL B 49 16.820 2.487 2.242 1.00 0.36 H new ATOM 1622 N ALA B 50 12.527 1.229 2.767 1.00 0.30 N ATOM 1623 CA ALA B 50 11.476 1.073 1.776 1.00 0.34 C ATOM 1624 C ALA B 50 10.691 2.366 1.619 1.00 0.33 C ATOM 1625 O ALA B 50 10.402 2.792 0.508 1.00 0.37 O ATOM 1626 CB ALA B 50 10.544 -0.065 2.163 1.00 0.37 C ATOM 0 H ALA B 50 12.437 0.616 3.577 1.00 0.30 H new ATOM 0 HA ALA B 50 11.941 0.833 0.820 1.00 0.34 H new ATOM 0 HB1 ALA B 50 9.763 -0.168 1.410 1.00 0.37 H new ATOM 0 HB2 ALA B 50 11.111 -0.994 2.227 1.00 0.37 H new ATOM 0 HB3 ALA B 50 10.089 0.150 3.130 1.00 0.37 H new ATOM 1632 N MET B 51 10.380 3.000 2.744 1.00 0.34 N ATOM 1633 CA MET B 51 9.552 4.201 2.755 1.00 0.39 C ATOM 1634 C MET B 51 10.222 5.347 2.020 1.00 0.31 C ATOM 1635 O MET B 51 9.567 6.096 1.291 1.00 0.30 O ATOM 1636 CB MET B 51 9.247 4.607 4.191 1.00 0.52 C ATOM 1637 CG MET B 51 8.163 5.663 4.309 1.00 0.62 C ATOM 1638 SD MET B 51 7.377 5.633 5.925 1.00 0.65 S ATOM 1639 CE MET B 51 6.979 3.889 6.029 1.00 0.41 C ATOM 0 H MET B 51 10.692 2.699 3.667 1.00 0.34 H new ATOM 0 HA MET B 51 8.621 3.973 2.236 1.00 0.39 H new ATOM 0 HB2 MET B 51 8.944 3.723 4.753 1.00 0.52 H new ATOM 0 HB3 MET B 51 10.159 4.982 4.655 1.00 0.52 H new ATOM 0 HG2 MET B 51 8.594 6.648 4.133 1.00 0.62 H new ATOM 0 HG3 MET B 51 7.412 5.501 3.536 1.00 0.62 H new ATOM 0 HE1 MET B 51 6.170 3.742 6.745 1.00 0.41 H new ATOM 0 HE2 MET B 51 6.666 3.528 5.049 1.00 0.41 H new ATOM 0 HE3 MET B 51 7.858 3.334 6.357 1.00 0.41 H new ATOM 1649 N ASP B 52 11.528 5.483 2.209 1.00 0.31 N ATOM 1650 CA ASP B 52 12.288 6.498 1.492 1.00 0.32 C ATOM 1651 C ASP B 52 12.220 6.226 -0.003 1.00 0.28 C ATOM 1652 O ASP B 52 12.096 7.143 -0.810 1.00 0.30 O ATOM 1653 CB ASP B 52 13.746 6.519 1.954 1.00 0.42 C ATOM 1654 CG ASP B 52 14.563 7.574 1.232 1.00 1.16 C ATOM 1655 OD1 ASP B 52 14.430 8.769 1.566 1.00 1.99 O ATOM 1656 OD2 ASP B 52 15.344 7.211 0.327 1.00 1.84 O ATOM 0 H ASP B 52 12.079 4.909 2.847 1.00 0.31 H new ATOM 0 HA ASP B 52 11.850 7.473 1.705 1.00 0.32 H new ATOM 0 HB2 ASP B 52 13.782 6.706 3.027 1.00 0.42 H new ATOM 0 HB3 ASP B 52 14.192 5.539 1.786 1.00 0.42 H new ATOM 1661 N CYS B 53 12.262 4.950 -0.354 1.00 0.27 N ATOM 1662 CA CYS B 53 12.194 4.534 -1.743 1.00 0.27 C ATOM 1663 C CYS B 53 10.786 4.727 -2.310 1.00 0.28 C ATOM 1664 O CYS B 53 10.633 5.057 -3.480 1.00 0.36 O ATOM 1665 CB CYS B 53 12.633 3.078 -1.870 1.00 0.36 C ATOM 1666 SG CYS B 53 14.304 2.772 -1.256 1.00 1.05 S ATOM 0 H CYS B 53 12.343 4.181 0.311 1.00 0.27 H new ATOM 0 HA CYS B 53 12.871 5.160 -2.325 1.00 0.27 H new ATOM 0 HB2 CYS B 53 11.932 2.447 -1.323 1.00 0.36 H new ATOM 0 HB3 CYS B 53 12.579 2.781 -2.917 1.00 0.36 H new ATOM 0 HG CYS B 53 14.263 2.561 0.026 1.00 1.05 H new ATOM 1672 N ILE B 54 9.761 4.524 -1.480 1.00 0.26 N ATOM 1673 CA ILE B 54 8.381 4.788 -1.893 1.00 0.29 C ATOM 1674 C ILE B 54 8.221 6.271 -2.210 1.00 0.30 C ATOM 1675 O ILE B 54 7.701 6.648 -3.261 1.00 0.33 O ATOM 1676 CB ILE B 54 7.345 4.402 -0.803 1.00 0.29 C ATOM 1677 CG1 ILE B 54 7.541 2.955 -0.336 1.00 0.31 C ATOM 1678 CG2 ILE B 54 5.929 4.592 -1.340 1.00 0.33 C ATOM 1679 CD1 ILE B 54 6.670 2.569 0.848 1.00 0.33 C ATOM 0 H ILE B 54 9.859 4.180 -0.525 1.00 0.26 H new ATOM 0 HA ILE B 54 8.188 4.173 -2.772 1.00 0.29 H new ATOM 0 HB ILE B 54 7.497 5.056 0.056 1.00 0.29 H new ATOM 0 HG12 ILE B 54 7.327 2.283 -1.167 1.00 0.31 H new ATOM 0 HG13 ILE B 54 8.587 2.808 -0.069 1.00 0.31 H new ATOM 0 HG21 ILE B 54 5.208 4.319 -0.569 1.00 0.33 H new ATOM 0 HG22 ILE B 54 5.783 5.635 -1.620 1.00 0.33 H new ATOM 0 HG23 ILE B 54 5.783 3.958 -2.214 1.00 0.33 H new ATOM 0 HD11 ILE B 54 6.865 1.532 1.120 1.00 0.33 H new ATOM 0 HD12 ILE B 54 6.900 3.216 1.695 1.00 0.33 H new ATOM 0 HD13 ILE B 54 5.620 2.682 0.579 1.00 0.33 H new ATOM 1686 N SER B 55 8.702 7.104 -1.293 1.00 0.30 N ATOM 1687 CA SER B 55 8.646 8.549 -1.453 1.00 0.36 C ATOM 1688 C SER B 55 9.449 8.984 -2.678 1.00 0.38 C ATOM 1689 O SER B 55 8.989 9.793 -3.485 1.00 0.41 O ATOM 1690 CB SER B 55 9.181 9.224 -0.190 1.00 0.40 C ATOM 1691 OG SER B 55 8.506 8.747 0.963 1.00 0.80 O ATOM 0 H SER B 55 9.139 6.797 -0.424 1.00 0.30 H new ATOM 0 HA SER B 55 7.610 8.852 -1.605 1.00 0.36 H new ATOM 0 HB2 SER B 55 10.250 9.033 -0.096 1.00 0.40 H new ATOM 0 HB3 SER B 55 9.056 10.304 -0.269 1.00 0.40 H new ATOM 0 HG SER B 55 8.848 7.859 1.198 1.00 0.80 H new ATOM 1697 N GLU B 56 10.640 8.414 -2.813 1.00 0.39 N ATOM 1698 CA GLU B 56 11.515 8.680 -3.946 1.00 0.48 C ATOM 1699 C GLU B 56 10.852 8.256 -5.255 1.00 0.42 C ATOM 1700 O GLU B 56 10.983 8.927 -6.277 1.00 0.45 O ATOM 1701 CB GLU B 56 12.832 7.922 -3.748 1.00 0.59 C ATOM 1702 CG GLU B 56 13.868 8.156 -4.832 1.00 0.82 C ATOM 1703 CD GLU B 56 15.194 7.500 -4.504 1.00 1.81 C ATOM 1704 OE1 GLU B 56 16.006 8.120 -3.784 1.00 2.38 O ATOM 1705 OE2 GLU B 56 15.432 6.358 -4.954 1.00 2.66 O ATOM 0 H GLU B 56 11.026 7.753 -2.139 1.00 0.39 H new ATOM 0 HA GLU B 56 11.712 9.751 -4.002 1.00 0.48 H new ATOM 0 HB2 GLU B 56 13.260 8.209 -2.788 1.00 0.59 H new ATOM 0 HB3 GLU B 56 12.617 6.855 -3.695 1.00 0.59 H new ATOM 0 HG2 GLU B 56 13.495 7.766 -5.779 1.00 0.82 H new ATOM 0 HG3 GLU B 56 14.017 9.228 -4.965 1.00 0.82 H new ATOM 1712 N ALA B 57 10.122 7.152 -5.202 1.00 0.38 N ATOM 1713 CA ALA B 57 9.488 6.585 -6.382 1.00 0.39 C ATOM 1714 C ALA B 57 8.387 7.487 -6.928 1.00 0.33 C ATOM 1715 O ALA B 57 8.376 7.813 -8.114 1.00 0.38 O ATOM 1716 CB ALA B 57 8.931 5.205 -6.064 1.00 0.41 C ATOM 0 H ALA B 57 9.953 6.626 -4.344 1.00 0.38 H new ATOM 0 HA ALA B 57 10.251 6.498 -7.156 1.00 0.39 H new ATOM 0 HB1 ALA B 57 8.459 4.789 -6.954 1.00 0.41 H new ATOM 0 HB2 ALA B 57 9.742 4.550 -5.744 1.00 0.41 H new ATOM 0 HB3 ALA B 57 8.193 5.286 -5.266 1.00 0.41 H new ATOM 1722 N PHE B 58 7.469 7.895 -6.063 1.00 0.28 N ATOM 1723 CA PHE B 58 6.328 8.699 -6.491 1.00 0.27 C ATOM 1724 C PHE B 58 6.674 10.185 -6.533 1.00 0.30 C ATOM 1725 O PHE B 58 5.882 11.006 -7.004 1.00 0.38 O ATOM 1726 CB PHE B 58 5.126 8.461 -5.575 1.00 0.27 C ATOM 1727 CG PHE B 58 4.503 7.102 -5.725 1.00 0.25 C ATOM 1728 CD1 PHE B 58 5.095 5.982 -5.163 1.00 1.24 C ATOM 1729 CD2 PHE B 58 3.318 6.948 -6.423 1.00 1.18 C ATOM 1730 CE1 PHE B 58 4.517 4.736 -5.297 1.00 1.21 C ATOM 1731 CE2 PHE B 58 2.733 5.705 -6.560 1.00 1.22 C ATOM 1732 CZ PHE B 58 3.333 4.597 -5.996 1.00 0.29 C ATOM 0 H PHE B 58 7.490 7.685 -5.065 1.00 0.28 H new ATOM 0 HA PHE B 58 6.068 8.386 -7.502 1.00 0.27 H new ATOM 0 HB2 PHE B 58 5.440 8.593 -4.539 1.00 0.27 H new ATOM 0 HB3 PHE B 58 4.371 9.220 -5.779 1.00 0.27 H new ATOM 0 HD1 PHE B 58 6.019 6.085 -4.614 1.00 1.24 H new ATOM 0 HD2 PHE B 58 2.845 7.812 -6.866 1.00 1.18 H new ATOM 0 HE1 PHE B 58 4.989 3.871 -4.856 1.00 1.21 H new ATOM 0 HE2 PHE B 58 1.808 5.600 -7.107 1.00 1.22 H new ATOM 0 HZ PHE B 58 2.878 3.623 -6.101 1.00 0.29 H new ATOM 1742 N GLY B 59 7.859 10.524 -6.047 1.00 0.33 N ATOM 1743 CA GLY B 59 8.323 11.897 -6.099 1.00 0.38 C ATOM 1744 C GLY B 59 7.689 12.772 -5.037 1.00 0.37 C ATOM 1745 O GLY B 59 7.314 13.913 -5.305 1.00 0.42 O ATOM 0 H GLY B 59 8.511 9.870 -5.615 1.00 0.33 H new ATOM 0 HA2 GLY B 59 9.406 11.914 -5.978 1.00 0.38 H new ATOM 0 HA3 GLY B 59 8.105 12.312 -7.083 1.00 0.38 H new ATOM 1749 N PHE B 60 7.572 12.247 -3.829 1.00 0.35 N ATOM 1750 CA PHE B 60 7.001 13.001 -2.723 1.00 0.39 C ATOM 1751 C PHE B 60 7.802 12.734 -1.455 1.00 0.39 C ATOM 1752 O PHE B 60 8.802 12.020 -1.489 1.00 0.42 O ATOM 1753 CB PHE B 60 5.516 12.644 -2.521 1.00 0.40 C ATOM 1754 CG PHE B 60 5.262 11.316 -1.857 1.00 0.30 C ATOM 1755 CD1 PHE B 60 5.629 10.132 -2.471 1.00 1.19 C ATOM 1756 CD2 PHE B 60 4.644 11.259 -0.618 1.00 1.21 C ATOM 1757 CE1 PHE B 60 5.387 8.915 -1.861 1.00 1.23 C ATOM 1758 CE2 PHE B 60 4.398 10.046 -0.004 1.00 1.19 C ATOM 1759 CZ PHE B 60 4.771 8.872 -0.626 1.00 0.33 C ATOM 0 H PHE B 60 7.865 11.300 -3.588 1.00 0.35 H new ATOM 0 HA PHE B 60 7.054 14.064 -2.957 1.00 0.39 H new ATOM 0 HB2 PHE B 60 5.048 13.427 -1.924 1.00 0.40 H new ATOM 0 HB3 PHE B 60 5.022 12.647 -3.493 1.00 0.40 H new ATOM 0 HD1 PHE B 60 6.110 10.159 -3.438 1.00 1.19 H new ATOM 0 HD2 PHE B 60 4.351 12.175 -0.126 1.00 1.21 H new ATOM 0 HE1 PHE B 60 5.680 7.998 -2.351 1.00 1.23 H new ATOM 0 HE2 PHE B 60 3.915 10.017 0.961 1.00 1.19 H new ATOM 0 HZ PHE B 60 4.582 7.922 -0.148 1.00 0.33 H new ATOM 1769 N GLU B 61 7.376 13.318 -0.350 1.00 0.47 N ATOM 1770 CA GLU B 61 8.083 13.160 0.911 1.00 0.55 C ATOM 1771 C GLU B 61 7.192 12.497 1.948 1.00 0.50 C ATOM 1772 O GLU B 61 5.971 12.650 1.922 1.00 0.47 O ATOM 1773 CB GLU B 61 8.541 14.520 1.433 1.00 0.70 C ATOM 1774 CG GLU B 61 9.476 15.254 0.492 1.00 0.80 C ATOM 1775 CD GLU B 61 9.970 16.551 1.085 1.00 1.48 C ATOM 1776 OE1 GLU B 61 9.240 17.559 1.008 1.00 2.33 O ATOM 1777 OE2 GLU B 61 11.090 16.567 1.639 1.00 2.06 O ATOM 0 H GLU B 61 6.544 13.906 -0.298 1.00 0.47 H new ATOM 0 HA GLU B 61 8.952 12.527 0.734 1.00 0.55 H new ATOM 0 HB2 GLU B 61 7.665 15.142 1.617 1.00 0.70 H new ATOM 0 HB3 GLU B 61 9.041 14.381 2.392 1.00 0.70 H new ATOM 0 HG2 GLU B 61 10.327 14.616 0.256 1.00 0.80 H new ATOM 0 HG3 GLU B 61 8.960 15.457 -0.446 1.00 0.80 H new ATOM 1784 N ARG B 62 7.822 11.782 2.872 1.00 0.53 N ATOM 1785 CA ARG B 62 7.122 11.126 3.972 1.00 0.53 C ATOM 1786 C ARG B 62 6.437 12.160 4.857 1.00 0.52 C ATOM 1787 O ARG B 62 5.482 11.855 5.563 1.00 0.64 O ATOM 1788 CB ARG B 62 8.113 10.313 4.809 1.00 0.62 C ATOM 1789 CG ARG B 62 7.463 9.503 5.921 1.00 1.40 C ATOM 1790 CD ARG B 62 8.451 9.206 7.035 1.00 1.46 C ATOM 1791 NE ARG B 62 8.878 10.432 7.714 1.00 2.25 N ATOM 1792 CZ ARG B 62 9.990 10.548 8.435 1.00 2.60 C ATOM 1793 NH1 ARG B 62 10.822 9.523 8.564 1.00 2.13 N ATOM 1794 NH2 ARG B 62 10.266 11.702 9.023 1.00 3.67 N ATOM 0 H ARG B 62 8.832 11.640 2.881 1.00 0.53 H new ATOM 0 HA ARG B 62 6.367 10.460 3.555 1.00 0.53 H new ATOM 0 HB2 ARG B 62 8.659 9.636 4.152 1.00 0.62 H new ATOM 0 HB3 ARG B 62 8.845 10.991 5.247 1.00 0.62 H new ATOM 0 HG2 ARG B 62 6.611 10.051 6.324 1.00 1.40 H new ATOM 0 HG3 ARG B 62 7.077 8.568 5.515 1.00 1.40 H new ATOM 0 HD2 ARG B 62 7.994 8.529 7.757 1.00 1.46 H new ATOM 0 HD3 ARG B 62 9.321 8.694 6.624 1.00 1.46 H new ATOM 0 HE ARG B 62 8.281 11.254 7.628 1.00 2.25 H new ATOM 0 HH11 ARG B 62 10.612 8.635 8.108 1.00 2.13 H new ATOM 0 HH12 ARG B 62 11.672 9.623 9.119 1.00 2.13 H new ATOM 0 HH21 ARG B 62 9.629 12.492 8.921 1.00 3.67 H new ATOM 0 HH22 ARG B 62 11.116 11.801 9.578 1.00 3.67 H new ATOM 1808 N GLU B 63 6.941 13.384 4.822 1.00 0.57 N ATOM 1809 CA GLU B 63 6.357 14.470 5.592 1.00 0.63 C ATOM 1810 C GLU B 63 5.232 15.144 4.809 1.00 0.62 C ATOM 1811 O GLU B 63 4.419 15.874 5.371 1.00 0.74 O ATOM 1812 CB GLU B 63 7.433 15.493 5.956 1.00 0.73 C ATOM 1813 CG GLU B 63 8.582 14.901 6.755 1.00 1.69 C ATOM 1814 CD GLU B 63 8.124 14.265 8.050 1.00 2.52 C ATOM 1815 OE1 GLU B 63 7.942 14.997 9.043 1.00 3.12 O ATOM 1816 OE2 GLU B 63 7.944 13.031 8.084 1.00 3.19 O ATOM 0 H GLU B 63 7.755 13.650 4.267 1.00 0.57 H new ATOM 0 HA GLU B 63 5.936 14.056 6.508 1.00 0.63 H new ATOM 0 HB2 GLU B 63 7.827 15.936 5.041 1.00 0.73 H new ATOM 0 HB3 GLU B 63 6.978 16.299 6.531 1.00 0.73 H new ATOM 0 HG2 GLU B 63 9.094 14.154 6.149 1.00 1.69 H new ATOM 0 HG3 GLU B 63 9.307 15.684 6.976 1.00 1.69 H new ATOM 1823 N ALA B 64 5.175 14.869 3.510 1.00 0.55 N ATOM 1824 CA ALA B 64 4.190 15.492 2.636 1.00 0.59 C ATOM 1825 C ALA B 64 2.911 14.666 2.577 1.00 0.53 C ATOM 1826 O ALA B 64 1.930 15.069 1.952 1.00 0.56 O ATOM 1827 CB ALA B 64 4.764 15.679 1.240 1.00 0.66 C ATOM 0 H ALA B 64 5.802 14.217 3.039 1.00 0.55 H new ATOM 0 HA ALA B 64 3.943 16.470 3.048 1.00 0.59 H new ATOM 0 HB1 ALA B 64 4.016 16.146 0.599 1.00 0.66 H new ATOM 0 HB2 ALA B 64 5.646 16.317 1.292 1.00 0.66 H new ATOM 0 HB3 ALA B 64 5.041 14.709 0.828 1.00 0.66 H new ATOM 1833 N VAL B 65 2.927 13.516 3.240 1.00 0.50 N ATOM 1834 CA VAL B 65 1.771 12.627 3.266 1.00 0.46 C ATOM 1835 C VAL B 65 0.556 13.330 3.878 1.00 0.52 C ATOM 1836 O VAL B 65 -0.579 13.112 3.456 1.00 0.53 O ATOM 1837 CB VAL B 65 2.083 11.320 4.038 1.00 0.46 C ATOM 1838 CG1 VAL B 65 2.510 11.602 5.465 1.00 0.51 C ATOM 1839 CG2 VAL B 65 0.895 10.379 4.031 1.00 0.50 C ATOM 0 H VAL B 65 3.730 13.176 3.769 1.00 0.50 H new ATOM 0 HA VAL B 65 1.536 12.363 2.235 1.00 0.46 H new ATOM 0 HB VAL B 65 2.913 10.838 3.521 1.00 0.46 H new ATOM 0 HG11 VAL B 65 2.720 10.662 5.974 1.00 0.51 H new ATOM 0 HG12 VAL B 65 3.407 12.221 5.461 1.00 0.51 H new ATOM 0 HG13 VAL B 65 1.710 12.127 5.987 1.00 0.51 H new ATOM 0 HG21 VAL B 65 1.146 9.472 4.581 1.00 0.50 H new ATOM 0 HG22 VAL B 65 0.042 10.866 4.505 1.00 0.50 H new ATOM 0 HG23 VAL B 65 0.641 10.122 3.003 1.00 0.50 H new ATOM 1843 N SER B 66 0.812 14.204 4.844 1.00 0.62 N ATOM 1844 CA SER B 66 -0.246 14.953 5.506 1.00 0.74 C ATOM 1845 C SER B 66 -0.939 15.900 4.529 1.00 0.75 C ATOM 1846 O SER B 66 -2.155 16.089 4.586 1.00 0.83 O ATOM 1847 CB SER B 66 0.345 15.736 6.676 1.00 0.88 C ATOM 1848 OG SER B 66 1.104 14.881 7.515 1.00 1.63 O ATOM 0 H SER B 66 1.750 14.411 5.187 1.00 0.62 H new ATOM 0 HA SER B 66 -0.994 14.253 5.878 1.00 0.74 H new ATOM 0 HB2 SER B 66 0.977 16.541 6.300 1.00 0.88 H new ATOM 0 HB3 SER B 66 -0.456 16.202 7.251 1.00 0.88 H new ATOM 0 HG SER B 66 1.477 15.399 8.259 1.00 1.63 H new ATOM 1854 N GLY B 67 -0.161 16.488 3.629 1.00 0.71 N ATOM 1855 CA GLY B 67 -0.718 17.383 2.634 1.00 0.74 C ATOM 1856 C GLY B 67 -1.546 16.640 1.608 1.00 0.69 C ATOM 1857 O GLY B 67 -2.605 17.115 1.193 1.00 0.74 O ATOM 0 H GLY B 67 0.849 16.360 3.571 1.00 0.71 H new ATOM 0 HA2 GLY B 67 -1.337 18.133 3.126 1.00 0.74 H new ATOM 0 HA3 GLY B 67 0.090 17.916 2.132 1.00 0.74 H new ATOM 1861 N ILE B 68 -1.063 15.470 1.208 1.00 0.61 N ATOM 1862 CA ILE B 68 -1.768 14.633 0.246 1.00 0.58 C ATOM 1863 C ILE B 68 -3.090 14.145 0.833 1.00 0.62 C ATOM 1864 O ILE B 68 -4.154 14.336 0.241 1.00 0.70 O ATOM 1865 CB ILE B 68 -0.915 13.416 -0.175 1.00 0.50 C ATOM 1866 CG1 ILE B 68 0.415 13.882 -0.777 1.00 0.49 C ATOM 1867 CG2 ILE B 68 -1.677 12.549 -1.171 1.00 0.49 C ATOM 1868 CD1 ILE B 68 1.359 12.750 -1.121 1.00 0.45 C ATOM 0 H ILE B 68 -0.181 15.078 1.537 1.00 0.61 H new ATOM 0 HA ILE B 68 -1.962 15.242 -0.637 1.00 0.58 H new ATOM 0 HB ILE B 68 -0.704 12.817 0.711 1.00 0.50 H new ATOM 0 HG12 ILE B 68 0.212 14.460 -1.678 1.00 0.49 H new ATOM 0 HG13 ILE B 68 0.907 14.552 -0.072 1.00 0.49 H new ATOM 0 HG21 ILE B 68 -1.061 11.696 -1.457 1.00 0.49 H new ATOM 0 HG22 ILE B 68 -2.599 12.193 -0.712 1.00 0.49 H new ATOM 0 HG23 ILE B 68 -1.916 13.137 -2.057 1.00 0.49 H new ATOM 0 HD11 ILE B 68 2.278 13.158 -1.542 1.00 0.45 H new ATOM 0 HD12 ILE B 68 1.593 12.184 -0.219 1.00 0.45 H new ATOM 0 HD13 ILE B 68 0.887 12.091 -1.850 1.00 0.45 H new ATOM 1875 N LEU B 69 -3.019 13.550 2.022 1.00 0.61 N ATOM 1876 CA LEU B 69 -4.205 13.013 2.683 1.00 0.66 C ATOM 1877 C LEU B 69 -5.171 14.123 3.082 1.00 0.84 C ATOM 1878 O LEU B 69 -6.324 13.862 3.412 1.00 1.13 O ATOM 1879 CB LEU B 69 -3.813 12.195 3.916 1.00 0.61 C ATOM 1880 CG LEU B 69 -2.997 10.933 3.628 1.00 0.46 C ATOM 1881 CD1 LEU B 69 -2.675 10.200 4.921 1.00 0.49 C ATOM 1882 CD2 LEU B 69 -3.745 10.018 2.668 1.00 0.45 C ATOM 0 H LEU B 69 -2.153 13.428 2.547 1.00 0.61 H new ATOM 0 HA LEU B 69 -4.710 12.361 1.970 1.00 0.66 H new ATOM 0 HB2 LEU B 69 -3.240 12.833 4.589 1.00 0.61 H new ATOM 0 HB3 LEU B 69 -4.721 11.908 4.446 1.00 0.61 H new ATOM 0 HG LEU B 69 -2.060 11.231 3.158 1.00 0.46 H new ATOM 0 HD11 LEU B 69 -2.094 9.305 4.697 1.00 0.49 H new ATOM 0 HD12 LEU B 69 -2.097 10.853 5.575 1.00 0.49 H new ATOM 0 HD13 LEU B 69 -3.602 9.916 5.419 1.00 0.49 H new ATOM 0 HD21 LEU B 69 -3.148 9.126 2.476 1.00 0.45 H new ATOM 0 HD22 LEU B 69 -4.698 9.728 3.110 1.00 0.45 H new ATOM 0 HD23 LEU B 69 -3.925 10.543 1.730 1.00 0.45 H new ATOM 1894 N GLY B 70 -4.694 15.360 3.048 1.00 0.79 N ATOM 1895 CA GLY B 70 -5.551 16.491 3.333 1.00 0.93 C ATOM 1896 C GLY B 70 -6.589 16.696 2.248 1.00 0.98 C ATOM 1897 O GLY B 70 -7.698 17.154 2.520 1.00 1.24 O ATOM 0 H GLY B 70 -3.727 15.599 2.828 1.00 0.79 H new ATOM 0 HA2 GLY B 70 -6.050 16.337 4.290 1.00 0.93 H new ATOM 0 HA3 GLY B 70 -4.945 17.391 3.431 1.00 0.93 H new ATOM 1901 N LYS B 71 -6.230 16.339 1.021 1.00 0.86 N ATOM 1902 CA LYS B 71 -7.128 16.489 -0.114 1.00 0.97 C ATOM 1903 C LYS B 71 -7.828 15.166 -0.420 1.00 0.98 C ATOM 1904 O LYS B 71 -8.989 15.144 -0.836 1.00 1.25 O ATOM 1905 CB LYS B 71 -6.351 16.969 -1.343 1.00 1.11 C ATOM 1906 CG LYS B 71 -7.223 17.214 -2.567 1.00 1.68 C ATOM 1907 CD LYS B 71 -6.392 17.571 -3.790 1.00 2.11 C ATOM 1908 CE LYS B 71 -5.681 18.903 -3.616 1.00 2.60 C ATOM 1909 NZ LYS B 71 -4.803 19.218 -4.773 1.00 3.15 N ATOM 0 H LYS B 71 -5.320 15.942 0.788 1.00 0.86 H new ATOM 0 HA LYS B 71 -7.884 17.233 0.139 1.00 0.97 H new ATOM 0 HB2 LYS B 71 -5.827 17.891 -1.092 1.00 1.11 H new ATOM 0 HB3 LYS B 71 -5.591 16.228 -1.593 1.00 1.11 H new ATOM 0 HG2 LYS B 71 -7.814 16.322 -2.777 1.00 1.68 H new ATOM 0 HG3 LYS B 71 -7.926 18.020 -2.357 1.00 1.68 H new ATOM 0 HD2 LYS B 71 -5.657 16.787 -3.972 1.00 2.11 H new ATOM 0 HD3 LYS B 71 -7.036 17.614 -4.668 1.00 2.11 H new ATOM 0 HE2 LYS B 71 -6.419 19.695 -3.494 1.00 2.60 H new ATOM 0 HE3 LYS B 71 -5.085 18.880 -2.704 1.00 2.60 H new ATOM 0 HZ1 LYS B 71 -4.336 20.134 -4.615 1.00 3.15 H new ATOM 0 HZ2 LYS B 71 -4.082 18.475 -4.874 1.00 3.15 H new ATOM 0 HZ3 LYS B 71 -5.375 19.266 -5.640 1.00 3.15 H new ATOM 1923 N SER B 72 -7.116 14.067 -0.205 1.00 0.91 N ATOM 1924 CA SER B 72 -7.652 12.739 -0.464 1.00 1.08 C ATOM 1925 C SER B 72 -8.844 12.430 0.440 1.00 1.03 C ATOM 1926 O SER B 72 -8.846 12.758 1.625 1.00 1.20 O ATOM 1927 CB SER B 72 -6.561 11.693 -0.257 1.00 1.29 C ATOM 1928 OG SER B 72 -5.462 11.938 -1.110 1.00 2.02 O ATOM 0 H SER B 72 -6.160 14.071 0.150 1.00 0.91 H new ATOM 0 HA SER B 72 -7.998 12.711 -1.497 1.00 1.08 H new ATOM 0 HB2 SER B 72 -6.231 11.706 0.782 1.00 1.29 H new ATOM 0 HB3 SER B 72 -6.963 10.699 -0.451 1.00 1.29 H new ATOM 0 HG SER B 72 -4.943 12.695 -0.766 1.00 2.02 H new ATOM 1934 N GLU B 73 -9.844 11.764 -0.129 1.00 1.12 N ATOM 1935 CA GLU B 73 -11.071 11.426 0.590 1.00 1.30 C ATOM 1936 C GLU B 73 -10.844 10.253 1.542 1.00 1.26 C ATOM 1937 O GLU B 73 -11.773 9.763 2.185 1.00 1.86 O ATOM 1938 CB GLU B 73 -12.169 11.081 -0.412 1.00 1.67 C ATOM 1939 CG GLU B 73 -12.432 12.190 -1.415 1.00 1.87 C ATOM 1940 CD GLU B 73 -13.259 11.724 -2.591 1.00 2.11 C ATOM 1941 OE1 GLU B 73 -12.895 10.698 -3.200 1.00 2.64 O ATOM 1942 OE2 GLU B 73 -14.269 12.387 -2.916 1.00 2.46 O ATOM 0 H GLU B 73 -9.829 11.444 -1.097 1.00 1.12 H new ATOM 0 HA GLU B 73 -11.374 12.288 1.184 1.00 1.30 H new ATOM 0 HB2 GLU B 73 -11.891 10.173 -0.948 1.00 1.67 H new ATOM 0 HB3 GLU B 73 -13.090 10.863 0.129 1.00 1.67 H new ATOM 0 HG2 GLU B 73 -12.946 13.012 -0.916 1.00 1.87 H new ATOM 0 HG3 GLU B 73 -11.481 12.581 -1.776 1.00 1.87 H new ATOM 1949 N PHE B 74 -9.599 9.809 1.624 1.00 1.03 N ATOM 1950 CA PHE B 74 -9.227 8.721 2.512 1.00 1.02 C ATOM 1951 C PHE B 74 -8.930 9.267 3.905 1.00 1.07 C ATOM 1952 O PHE B 74 -8.734 8.508 4.854 1.00 1.44 O ATOM 1953 CB PHE B 74 -8.000 7.989 1.963 1.00 0.94 C ATOM 1954 CG PHE B 74 -8.135 7.571 0.522 1.00 0.96 C ATOM 1955 CD1 PHE B 74 -9.091 6.646 0.140 1.00 1.61 C ATOM 1956 CD2 PHE B 74 -7.297 8.101 -0.448 1.00 1.18 C ATOM 1957 CE1 PHE B 74 -9.210 6.257 -1.179 1.00 1.70 C ATOM 1958 CE2 PHE B 74 -7.413 7.716 -1.769 1.00 1.25 C ATOM 1959 CZ PHE B 74 -8.372 6.795 -2.136 1.00 1.19 C ATOM 0 H PHE B 74 -8.824 10.190 1.081 1.00 1.03 H new ATOM 0 HA PHE B 74 -10.056 8.017 2.576 1.00 1.02 H new ATOM 0 HB2 PHE B 74 -7.128 8.635 2.064 1.00 0.94 H new ATOM 0 HB3 PHE B 74 -7.814 7.105 2.572 1.00 0.94 H new ATOM 0 HD1 PHE B 74 -9.752 6.224 0.883 1.00 1.61 H new ATOM 0 HD2 PHE B 74 -6.545 8.823 -0.167 1.00 1.18 H new ATOM 0 HE1 PHE B 74 -9.958 5.532 -1.463 1.00 1.70 H new ATOM 0 HE2 PHE B 74 -6.753 8.136 -2.514 1.00 1.25 H new ATOM 0 HZ PHE B 74 -8.467 6.495 -3.169 1.00 1.19 H new ATOM 2015 N HIS B 78 -7.508 4.908 7.666 1.00 0.88 N ATOM 2016 CA HIS B 78 -6.206 4.433 7.226 1.00 0.85 C ATOM 2017 C HIS B 78 -6.380 3.397 6.122 1.00 0.69 C ATOM 2018 O HIS B 78 -7.497 2.937 5.883 1.00 0.68 O ATOM 2019 CB HIS B 78 -5.414 3.828 8.389 1.00 1.02 C ATOM 2020 CG HIS B 78 -5.140 4.782 9.513 1.00 1.16 C ATOM 2021 ND1 HIS B 78 -5.638 4.605 10.784 1.00 1.50 N ATOM 2022 CD2 HIS B 78 -4.395 5.912 9.558 1.00 1.41 C ATOM 2023 CE1 HIS B 78 -5.211 5.581 11.562 1.00 1.95 C ATOM 2024 NE2 HIS B 78 -4.455 6.387 10.842 1.00 1.85 N ATOM 0 HA HIS B 78 -5.645 5.285 6.842 1.00 0.85 H new ATOM 0 HB2 HIS B 78 -5.963 2.972 8.781 1.00 1.02 H new ATOM 0 HB3 HIS B 78 -4.465 3.451 8.009 1.00 1.02 H new ATOM 0 HD2 HIS B 78 -3.854 6.356 8.735 1.00 1.41 H new ATOM 0 HE1 HIS B 78 -5.441 5.700 12.610 1.00 1.95 H new ATOM 0 HE2 HIS B 78 -3.990 7.228 11.185 1.00 1.85 H new ATOM 2033 N LEU B 79 -5.284 3.023 5.468 1.00 0.60 N ATOM 2034 CA LEU B 79 -5.339 2.111 4.323 1.00 0.46 C ATOM 2035 C LEU B 79 -6.047 0.803 4.673 1.00 0.44 C ATOM 2036 O LEU B 79 -6.950 0.365 3.960 1.00 0.42 O ATOM 2037 CB LEU B 79 -3.927 1.806 3.815 1.00 0.44 C ATOM 2038 CG LEU B 79 -3.860 0.893 2.587 1.00 0.37 C ATOM 2039 CD1 LEU B 79 -4.511 1.560 1.385 1.00 0.38 C ATOM 2040 CD2 LEU B 79 -2.421 0.520 2.275 1.00 0.41 C ATOM 0 H LEU B 79 -4.344 3.337 5.710 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.911 2.610 3.540 1.00 0.46 H new ATOM 0 HB2 LEU B 79 -3.433 2.748 3.575 1.00 0.44 H new ATOM 0 HB3 LEU B 79 -3.359 1.344 4.623 1.00 0.44 H new ATOM 0 HG LEU B 79 -4.411 -0.020 2.812 1.00 0.37 H new ATOM 0 HD11 LEU B 79 -4.452 0.895 0.524 1.00 0.38 H new ATOM 0 HD12 LEU B 79 -5.556 1.773 1.609 1.00 0.38 H new ATOM 0 HD13 LEU B 79 -3.991 2.491 1.160 1.00 0.38 H new ATOM 0 HD21 LEU B 79 -2.395 -0.129 1.400 1.00 0.41 H new ATOM 0 HD22 LEU B 79 -1.846 1.424 2.074 1.00 0.41 H new ATOM 0 HD23 LEU B 79 -1.988 -0.003 3.127 1.00 0.41 H new ATOM 2052 N ALA B 80 -5.647 0.193 5.780 1.00 0.50 N ATOM 2053 CA ALA B 80 -6.161 -1.116 6.156 1.00 0.54 C ATOM 2054 C ALA B 80 -7.655 -1.080 6.458 1.00 0.58 C ATOM 2055 O ALA B 80 -8.360 -2.042 6.184 1.00 0.61 O ATOM 2056 CB ALA B 80 -5.391 -1.665 7.340 1.00 0.63 C ATOM 0 H ALA B 80 -4.968 0.584 6.433 1.00 0.50 H new ATOM 0 HA ALA B 80 -6.021 -1.779 5.303 1.00 0.54 H new ATOM 0 HB1 ALA B 80 -5.787 -2.644 7.609 1.00 0.63 H new ATOM 0 HB2 ALA B 80 -4.338 -1.760 7.077 1.00 0.63 H new ATOM 0 HB3 ALA B 80 -5.494 -0.987 8.187 1.00 0.63 H new ATOM 2062 N ASP B 81 -8.134 0.029 7.012 1.00 0.64 N ATOM 2063 CA ASP B 81 -9.563 0.186 7.287 1.00 0.70 C ATOM 2064 C ASP B 81 -10.350 0.152 5.983 1.00 0.60 C ATOM 2065 O ASP B 81 -11.430 -0.437 5.900 1.00 0.67 O ATOM 2066 CB ASP B 81 -9.832 1.500 8.023 1.00 0.78 C ATOM 2067 CG ASP B 81 -11.298 1.685 8.366 1.00 1.52 C ATOM 2068 OD1 ASP B 81 -12.048 2.251 7.544 1.00 2.30 O ATOM 2069 OD2 ASP B 81 -11.707 1.273 9.473 1.00 2.06 O ATOM 0 H ASP B 81 -7.560 0.829 7.279 1.00 0.64 H new ATOM 0 HA ASP B 81 -9.884 -0.639 7.923 1.00 0.70 H new ATOM 0 HB2 ASP B 81 -9.242 1.527 8.939 1.00 0.78 H new ATOM 0 HB3 ASP B 81 -9.499 2.334 7.405 1.00 0.78 H new ATOM 2074 N ILE B 82 -9.778 0.780 4.965 1.00 0.50 N ATOM 2075 CA ILE B 82 -10.345 0.775 3.626 1.00 0.44 C ATOM 2076 C ILE B 82 -10.453 -0.652 3.096 1.00 0.48 C ATOM 2077 O ILE B 82 -11.509 -1.078 2.627 1.00 0.60 O ATOM 2078 CB ILE B 82 -9.472 1.618 2.672 1.00 0.41 C ATOM 2079 CG1 ILE B 82 -9.537 3.095 3.066 1.00 0.51 C ATOM 2080 CG2 ILE B 82 -9.895 1.418 1.226 1.00 0.46 C ATOM 2081 CD1 ILE B 82 -8.584 3.974 2.288 1.00 0.61 C ATOM 0 H ILE B 82 -8.908 1.307 5.045 1.00 0.50 H new ATOM 0 HA ILE B 82 -11.343 1.210 3.676 1.00 0.44 H new ATOM 0 HB ILE B 82 -8.439 1.283 2.760 1.00 0.41 H new ATOM 0 HG12 ILE B 82 -10.554 3.457 2.918 1.00 0.51 H new ATOM 0 HG13 ILE B 82 -9.317 3.188 4.130 1.00 0.51 H new ATOM 0 HG21 ILE B 82 -9.264 2.023 0.575 1.00 0.46 H new ATOM 0 HG22 ILE B 82 -9.790 0.367 0.958 1.00 0.46 H new ATOM 0 HG23 ILE B 82 -10.935 1.720 1.106 1.00 0.46 H new ATOM 0 HD11 ILE B 82 -8.687 5.007 2.622 1.00 0.61 H new ATOM 0 HD12 ILE B 82 -7.561 3.638 2.456 1.00 0.61 H new ATOM 0 HD13 ILE B 82 -8.817 3.911 1.225 1.00 0.61 H new ATOM 2088 N LEU B 83 -9.356 -1.389 3.199 1.00 0.44 N ATOM 2089 CA LEU B 83 -9.306 -2.772 2.739 1.00 0.52 C ATOM 2090 C LEU B 83 -10.209 -3.662 3.592 1.00 0.69 C ATOM 2091 O LEU B 83 -10.826 -4.600 3.091 1.00 0.83 O ATOM 2092 CB LEU B 83 -7.863 -3.289 2.769 1.00 0.47 C ATOM 2093 CG LEU B 83 -6.987 -2.919 1.561 1.00 0.39 C ATOM 2094 CD1 LEU B 83 -6.927 -1.413 1.348 1.00 0.32 C ATOM 2095 CD2 LEU B 83 -5.587 -3.478 1.746 1.00 0.43 C ATOM 0 H LEU B 83 -8.482 -1.050 3.600 1.00 0.44 H new ATOM 0 HA LEU B 83 -9.669 -2.805 1.712 1.00 0.52 H new ATOM 0 HB2 LEU B 83 -7.382 -2.910 3.671 1.00 0.47 H new ATOM 0 HB3 LEU B 83 -7.889 -4.375 2.854 1.00 0.47 H new ATOM 0 HG LEU B 83 -7.440 -3.359 0.673 1.00 0.39 H new ATOM 0 HD11 LEU B 83 -6.298 -1.192 0.485 1.00 0.32 H new ATOM 0 HD12 LEU B 83 -7.932 -1.030 1.172 1.00 0.32 H new ATOM 0 HD13 LEU B 83 -6.507 -0.937 2.234 1.00 0.32 H new ATOM 0 HD21 LEU B 83 -4.972 -3.212 0.886 1.00 0.43 H new ATOM 0 HD22 LEU B 83 -5.145 -3.061 2.651 1.00 0.43 H new ATOM 0 HD23 LEU B 83 -5.637 -4.563 1.834 1.00 0.43 H new ATOM 2107 N ASN B 84 -10.290 -3.350 4.880 1.00 0.74 N ATOM 2108 CA ASN B 84 -11.176 -4.057 5.803 1.00 0.94 C ATOM 2109 C ASN B 84 -12.621 -3.945 5.337 1.00 0.97 C ATOM 2110 O ASN B 84 -13.405 -4.886 5.456 1.00 1.14 O ATOM 2111 CB ASN B 84 -11.045 -3.469 7.214 1.00 1.03 C ATOM 2112 CG ASN B 84 -11.947 -4.152 8.230 1.00 1.27 C ATOM 2113 OD1 ASN B 84 -13.123 -3.816 8.361 1.00 1.83 O ATOM 2114 ND2 ASN B 84 -11.392 -5.086 8.983 1.00 1.79 N ATOM 0 H ASN B 84 -9.747 -2.604 5.315 1.00 0.74 H new ATOM 0 HA ASN B 84 -10.888 -5.108 5.823 1.00 0.94 H new ATOM 0 HB2 ASN B 84 -10.009 -3.554 7.542 1.00 1.03 H new ATOM 0 HB3 ASN B 84 -11.283 -2.406 7.182 1.00 1.03 H new ATOM 0 HD21 ASN B 84 -11.942 -5.555 9.702 1.00 1.79 H new ATOM 0 HD22 ASN B 84 -10.413 -5.338 8.845 1.00 1.79 H new ATOM 2121 N SER B 85 -12.953 -2.787 4.783 1.00 0.87 N ATOM 2122 CA SER B 85 -14.301 -2.510 4.317 1.00 0.93 C ATOM 2123 C SER B 85 -14.554 -3.164 2.958 1.00 0.91 C ATOM 2124 O SER B 85 -15.688 -3.211 2.479 1.00 1.01 O ATOM 2125 CB SER B 85 -14.507 -0.998 4.225 1.00 0.97 C ATOM 2126 OG SER B 85 -14.155 -0.362 5.447 1.00 1.50 O ATOM 0 H SER B 85 -12.298 -2.018 4.645 1.00 0.87 H new ATOM 0 HA SER B 85 -15.012 -2.930 5.029 1.00 0.93 H new ATOM 0 HB2 SER B 85 -13.903 -0.594 3.413 1.00 0.97 H new ATOM 0 HB3 SER B 85 -15.548 -0.783 3.985 1.00 0.97 H new ATOM 0 HG SER B 85 -13.179 -0.311 5.520 1.00 1.50 H new ATOM 2132 N ALA B 86 -13.498 -3.684 2.349 1.00 0.88 N ATOM 2133 CA ALA B 86 -13.600 -4.309 1.041 1.00 0.95 C ATOM 2134 C ALA B 86 -13.644 -5.830 1.164 1.00 1.14 C ATOM 2135 O ALA B 86 -12.895 -6.543 0.493 1.00 1.70 O ATOM 2136 CB ALA B 86 -12.440 -3.871 0.157 1.00 1.09 C ATOM 0 H ALA B 86 -12.557 -3.685 2.743 1.00 0.88 H new ATOM 0 HA ALA B 86 -14.532 -3.986 0.577 1.00 0.95 H new ATOM 0 HB1 ALA B 86 -12.528 -4.346 -0.820 1.00 1.09 H new ATOM 0 HB2 ALA B 86 -12.463 -2.788 0.037 1.00 1.09 H new ATOM 0 HB3 ALA B 86 -11.498 -4.165 0.620 1.00 1.09 H new