USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1108 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 TYR OH : rot -135:sc= 2.14 USER MOD Set 1.2: A 168 LYS NZ :NH3+ 171:sc= 1.43 (180deg=0.0897) USER MOD Set 2.1: A 121 LYS NZ :NH3+ 175:sc= 1.37 (180deg=0.125) USER MOD Set 2.2: A 140 TYR OH : rot -97:sc= 1.2 USER MOD Set 2.3: A 160 TYR OH : rot 180:sc= 1.05 USER MOD Set 3.1: A 138 SER OG : rot -81:sc= 0.991 USER MOD Set 3.2: A 153 ASN : amide:sc= 0.864 K(o=1.9,f=-0.14) USER MOD Set 4.1: A 150 LYS NZ :NH3+ 165:sc= 1.28 (180deg=0) USER MOD Set 4.2: A 152 TYR OH : rot 30:sc= 1.07 USER MOD Set 5.1: A 108 SER OG : rot -96:sc= 0.365! USER MOD Set 5.2: A 110 SER OG : rot 180:sc= 0.0662 USER MOD Set 6.1: A 21 GLN : amide:sc= 1.37 K(o=3.5,f=-14!) USER MOD Set 6.2: A 88 LYS NZ :NH3+ 163:sc= 2.18 (180deg=-0.204) USER MOD Set 7.1: A 19 GLN : amide:sc= -0.669 K(o=-1.4,f=-0.71) USER MOD Set 7.2: A 25 ASN : amide:sc= -0.7 K(o=-1.4,f=-0.021) USER MOD Set 8.1: A 10 ASN : amide:sc= 0.319 K(o=1.5,f=-11!) USER MOD Set 8.2: A 147 LYS NZ :NH3+ -151:sc= 1.17 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.646 K(o=-0.65,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ -119:sc= 1.27 (180deg=0.289) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -150:sc= 0.776 USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= 0.259 (180deg=-2.59!) USER MOD Single : A 43 THR OG1 : rot 109:sc= 0.179 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -173:sc= 0 (180deg=-0.0119) USER MOD Single : A 53 THR OG1 : rot 121:sc= 1.96 USER MOD Single : A 55 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.25) USER MOD Single : A 56 MET CE :methyl 140:sc= -0.449 (180deg=-0.927) USER MOD Single : A 57 THR OG1 : rot 24:sc= 1.21 USER MOD Single : A 60 GLN : amide:sc= 0.41 K(o=0.41,f=-1.7) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.13) USER MOD Single : A 67 ASN : amide:sc= -0.367 K(o=-0.37,f=-3.6!) USER MOD Single : A 74 SER OG : rot -147:sc= 0.0577 USER MOD Single : A 76 SER OG : rot 43:sc= -0.0129 USER MOD Single : A 81 ASN : amide:sc= 1.42 K(o=1.4,f=-0.16) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.241 K(o=-0.24,f=-5!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0013) USER MOD Single : A 94 TYR OH : rot 0:sc= 0.591 USER MOD Single : A 97 SER OG : rot -166:sc= 1.74 USER MOD Single : A 100 ASN : amide:sc= 1.08 K(o=1.1,f=-0.84) USER MOD Single : A 105 THR OG1 : rot -71:sc= 0.759 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 1.1 K(o=1.1,f=-0.04) USER MOD Single : A 118 LYS NZ :NH3+ 156:sc= 2.3 (180deg=1.53) USER MOD Single : A 119 SER OG : rot -62:sc= 1.15 USER MOD Single : A 165 SER OG : rot 160:sc= 0 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 171 SER OG : rot 66:sc= 1.3 USER MOD Single : A 172 THR OG1 : rot -49:sc= 0.82 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -14.990 -9.739 10.268 1.00 1.19 N ATOM 113 CA ASP A 7 -15.223 -9.822 8.833 1.00 0.92 C ATOM 114 C ASP A 7 -13.858 -9.966 8.148 1.00 0.68 C ATOM 115 O ASP A 7 -13.331 -8.986 7.628 1.00 0.83 O ATOM 116 CB ASP A 7 -16.015 -8.561 8.424 1.00 1.21 C ATOM 117 CG ASP A 7 -17.358 -8.518 9.147 1.00 2.85 C ATOM 118 OD1 ASP A 7 -17.366 -8.099 10.329 1.00 3.34 O ATOM 119 OD2 ASP A 7 -18.342 -8.979 8.534 1.00 4.26 O ATOM 0 HA ASP A 7 -15.817 -10.684 8.530 1.00 0.92 H new ATOM 0 HB2 ASP A 7 -15.438 -7.668 8.663 1.00 1.21 H new ATOM 0 HB3 ASP A 7 -16.175 -8.558 7.346 1.00 1.21 H new ATOM 124 N PRO A 8 -13.236 -11.158 8.217 1.00 0.80 N ATOM 125 CA PRO A 8 -11.874 -11.375 7.757 1.00 0.92 C ATOM 126 C PRO A 8 -11.816 -11.523 6.237 1.00 0.76 C ATOM 127 O PRO A 8 -12.837 -11.672 5.571 1.00 1.12 O ATOM 128 CB PRO A 8 -11.422 -12.667 8.444 1.00 1.31 C ATOM 129 CG PRO A 8 -12.725 -13.463 8.522 1.00 1.39 C ATOM 130 CD PRO A 8 -13.750 -12.372 8.833 1.00 1.17 C ATOM 0 HA PRO A 8 -11.230 -10.531 8.002 1.00 0.92 H new ATOM 0 HB2 PRO A 8 -10.659 -13.190 7.867 1.00 1.31 H new ATOM 0 HB3 PRO A 8 -11.001 -12.477 9.431 1.00 1.31 H new ATOM 0 HG2 PRO A 8 -12.946 -13.975 7.585 1.00 1.39 H new ATOM 0 HG3 PRO A 8 -12.691 -14.224 9.301 1.00 1.39 H new ATOM 0 HD2 PRO A 8 -14.730 -12.630 8.431 1.00 1.17 H new ATOM 0 HD3 PRO A 8 -13.871 -12.244 9.909 1.00 1.17 H new ATOM 138 N LEU A 9 -10.593 -11.506 5.709 1.00 0.66 N ATOM 139 CA LEU A 9 -10.260 -11.669 4.301 1.00 0.57 C ATOM 140 C LEU A 9 -9.030 -12.576 4.219 1.00 0.57 C ATOM 141 O LEU A 9 -8.386 -12.850 5.232 1.00 0.62 O ATOM 142 CB LEU A 9 -10.029 -10.337 3.566 1.00 0.59 C ATOM 143 CG LEU A 9 -9.929 -9.122 4.486 1.00 0.70 C ATOM 144 CD1 LEU A 9 -8.997 -8.095 3.870 1.00 0.87 C ATOM 145 CD2 LEU A 9 -11.305 -8.509 4.755 1.00 0.71 C ATOM 0 H LEU A 9 -9.764 -11.370 6.288 1.00 0.66 H new ATOM 0 HA LEU A 9 -11.110 -12.120 3.790 1.00 0.57 H new ATOM 0 HB2 LEU A 9 -9.112 -10.412 2.981 1.00 0.59 H new ATOM 0 HB3 LEU A 9 -10.845 -10.178 2.861 1.00 0.59 H new ATOM 0 HG LEU A 9 -9.525 -9.447 5.445 1.00 0.70 H new ATOM 0 HD11 LEU A 9 -8.926 -7.228 4.527 1.00 0.87 H new ATOM 0 HD12 LEU A 9 -8.008 -8.534 3.739 1.00 0.87 H new ATOM 0 HD13 LEU A 9 -9.387 -7.785 2.901 1.00 0.87 H new ATOM 0 HD21 LEU A 9 -11.197 -7.647 5.413 1.00 0.71 H new ATOM 0 HD22 LEU A 9 -11.753 -8.193 3.813 1.00 0.71 H new ATOM 0 HD23 LEU A 9 -11.947 -9.250 5.231 1.00 0.71 H new ATOM 157 N ASN A 10 -8.700 -13.022 3.014 1.00 0.60 N ATOM 158 CA ASN A 10 -7.511 -13.777 2.650 1.00 0.68 C ATOM 159 C ASN A 10 -7.242 -13.474 1.180 1.00 0.69 C ATOM 160 O ASN A 10 -7.140 -14.375 0.351 1.00 0.78 O ATOM 161 CB ASN A 10 -7.732 -15.287 2.840 1.00 0.83 C ATOM 162 CG ASN A 10 -8.117 -15.675 4.260 1.00 1.05 C ATOM 163 OD1 ASN A 10 -7.245 -15.979 5.075 1.00 1.74 O ATOM 164 ND2 ASN A 10 -9.412 -15.713 4.557 1.00 1.21 N ATOM 0 H ASN A 10 -9.301 -12.852 2.208 1.00 0.60 H new ATOM 0 HA ASN A 10 -6.670 -13.494 3.283 1.00 0.68 H new ATOM 0 HB2 ASN A 10 -8.514 -15.619 2.157 1.00 0.83 H new ATOM 0 HB3 ASN A 10 -6.820 -15.816 2.563 1.00 0.83 H new ATOM 0 HD21 ASN A 10 -9.714 -16.002 5.488 1.00 1.21 H new ATOM 0 HD22 ASN A 10 -10.104 -15.454 3.854 1.00 1.21 H new ATOM 171 N TYR A 11 -7.092 -12.190 0.862 1.00 0.71 N ATOM 172 CA TYR A 11 -6.965 -11.737 -0.518 1.00 0.82 C ATOM 173 C TYR A 11 -5.524 -11.996 -0.954 1.00 0.86 C ATOM 174 O TYR A 11 -4.602 -11.486 -0.317 1.00 0.71 O ATOM 175 CB TYR A 11 -7.296 -10.242 -0.583 1.00 0.82 C ATOM 176 CG TYR A 11 -8.175 -9.678 -1.675 1.00 0.96 C ATOM 177 CD1 TYR A 11 -8.418 -10.365 -2.880 1.00 2.08 C ATOM 178 CD2 TYR A 11 -8.527 -8.321 -1.566 1.00 2.01 C ATOM 179 CE1 TYR A 11 -9.126 -9.728 -3.912 1.00 2.10 C ATOM 180 CE2 TYR A 11 -9.146 -7.656 -2.634 1.00 2.09 C ATOM 181 CZ TYR A 11 -9.457 -8.369 -3.802 1.00 1.17 C ATOM 182 OH TYR A 11 -10.321 -7.826 -4.707 1.00 1.35 O ATOM 0 H TYR A 11 -7.055 -11.439 1.551 1.00 0.71 H new ATOM 0 HA TYR A 11 -7.650 -12.267 -1.180 1.00 0.82 H new ATOM 0 HB2 TYR A 11 -7.761 -9.978 0.367 1.00 0.82 H new ATOM 0 HB3 TYR A 11 -6.347 -9.708 -0.632 1.00 0.82 H new ATOM 0 HD1 TYR A 11 -8.062 -11.376 -3.010 1.00 2.08 H new ATOM 0 HD2 TYR A 11 -8.319 -7.786 -0.651 1.00 2.01 H new ATOM 0 HE1 TYR A 11 -9.416 -10.285 -4.791 1.00 2.10 H new ATOM 0 HE2 TYR A 11 -9.381 -6.605 -2.558 1.00 2.09 H new ATOM 0 HH TYR A 11 -9.973 -6.963 -5.014 1.00 1.35 H new ATOM 192 N GLU A 12 -5.334 -12.803 -1.996 1.00 1.20 N ATOM 193 CA GLU A 12 -4.056 -13.419 -2.322 1.00 1.32 C ATOM 194 C GLU A 12 -3.116 -12.408 -2.984 1.00 1.03 C ATOM 195 O GLU A 12 -3.438 -11.846 -4.028 1.00 1.38 O ATOM 196 CB GLU A 12 -4.329 -14.602 -3.259 1.00 1.95 C ATOM 197 CG GLU A 12 -5.160 -15.689 -2.552 1.00 2.63 C ATOM 198 CD GLU A 12 -5.982 -16.525 -3.517 1.00 3.67 C ATOM 199 OE1 GLU A 12 -6.615 -15.948 -4.432 1.00 4.96 O ATOM 200 OE2 GLU A 12 -6.110 -17.749 -3.292 1.00 3.80 O ATOM 0 H GLU A 12 -6.079 -13.049 -2.647 1.00 1.20 H new ATOM 0 HA GLU A 12 -3.565 -13.765 -1.412 1.00 1.32 H new ATOM 0 HB2 GLU A 12 -4.859 -14.253 -4.145 1.00 1.95 H new ATOM 0 HB3 GLU A 12 -3.384 -15.026 -3.599 1.00 1.95 H new ATOM 0 HG2 GLU A 12 -4.492 -16.343 -1.991 1.00 2.63 H new ATOM 0 HG3 GLU A 12 -5.826 -15.218 -1.829 1.00 2.63 H new ATOM 207 N VAL A 13 -1.944 -12.197 -2.381 1.00 0.81 N ATOM 208 CA VAL A 13 -0.892 -11.329 -2.884 1.00 0.61 C ATOM 209 C VAL A 13 0.149 -12.200 -3.600 1.00 0.68 C ATOM 210 O VAL A 13 0.473 -13.293 -3.137 1.00 1.01 O ATOM 211 CB VAL A 13 -0.328 -10.514 -1.699 1.00 0.86 C ATOM 212 CG1 VAL A 13 1.170 -10.691 -1.461 1.00 2.66 C ATOM 213 CG2 VAL A 13 -0.630 -9.024 -1.856 1.00 1.53 C ATOM 0 H VAL A 13 -1.699 -12.645 -1.498 1.00 0.81 H new ATOM 0 HA VAL A 13 -1.254 -10.607 -3.616 1.00 0.61 H new ATOM 0 HB VAL A 13 -0.839 -10.919 -0.826 1.00 0.86 H new ATOM 0 HG11 VAL A 13 1.478 -10.082 -0.611 1.00 2.66 H new ATOM 0 HG12 VAL A 13 1.384 -11.739 -1.253 1.00 2.66 H new ATOM 0 HG13 VAL A 13 1.719 -10.378 -2.349 1.00 2.66 H new ATOM 0 HG21 VAL A 13 -0.220 -8.478 -1.006 1.00 1.53 H new ATOM 0 HG22 VAL A 13 -0.177 -8.656 -2.776 1.00 1.53 H new ATOM 0 HG23 VAL A 13 -1.709 -8.874 -1.897 1.00 1.53 H new ATOM 223 N GLU A 14 0.665 -11.722 -4.734 1.00 0.74 N ATOM 224 CA GLU A 14 1.579 -12.486 -5.578 1.00 0.83 C ATOM 225 C GLU A 14 3.038 -12.338 -5.124 1.00 0.69 C ATOM 226 O GLU A 14 3.504 -11.204 -4.982 1.00 0.67 O ATOM 227 CB GLU A 14 1.440 -12.049 -7.035 1.00 1.10 C ATOM 228 CG GLU A 14 0.117 -12.504 -7.669 1.00 1.52 C ATOM 229 CD GLU A 14 0.132 -13.968 -8.110 1.00 1.76 C ATOM 230 OE1 GLU A 14 1.031 -14.713 -7.668 1.00 2.41 O ATOM 231 OE2 GLU A 14 -0.767 -14.311 -8.909 1.00 2.74 O ATOM 0 H GLU A 14 0.458 -10.790 -5.092 1.00 0.74 H new ATOM 0 HA GLU A 14 1.308 -13.538 -5.485 1.00 0.83 H new ATOM 0 HB2 GLU A 14 1.510 -10.963 -7.092 1.00 1.10 H new ATOM 0 HB3 GLU A 14 2.272 -12.453 -7.612 1.00 1.10 H new ATOM 0 HG2 GLU A 14 -0.691 -12.355 -6.953 1.00 1.52 H new ATOM 0 HG3 GLU A 14 -0.101 -11.874 -8.531 1.00 1.52 H new ATOM 238 N PRO A 15 3.779 -13.445 -4.934 1.00 0.71 N ATOM 239 CA PRO A 15 5.232 -13.436 -4.817 1.00 0.73 C ATOM 240 C PRO A 15 5.877 -12.688 -5.983 1.00 0.64 C ATOM 241 O PRO A 15 5.464 -12.864 -7.129 1.00 0.71 O ATOM 242 CB PRO A 15 5.660 -14.905 -4.790 1.00 0.95 C ATOM 243 CG PRO A 15 4.424 -15.613 -4.236 1.00 1.04 C ATOM 244 CD PRO A 15 3.281 -14.809 -4.850 1.00 0.89 C ATOM 0 HA PRO A 15 5.554 -12.915 -3.915 1.00 0.73 H new ATOM 0 HB2 PRO A 15 5.921 -15.268 -5.784 1.00 0.95 H new ATOM 0 HB3 PRO A 15 6.532 -15.060 -4.155 1.00 0.95 H new ATOM 0 HG2 PRO A 15 4.389 -16.661 -4.534 1.00 1.04 H new ATOM 0 HG3 PRO A 15 4.397 -15.590 -3.147 1.00 1.04 H new ATOM 0 HD2 PRO A 15 3.014 -15.192 -5.835 1.00 0.89 H new ATOM 0 HD3 PRO A 15 2.384 -14.864 -4.233 1.00 0.89 H new ATOM 252 N PHE A 16 6.879 -11.849 -5.707 1.00 0.58 N ATOM 253 CA PHE A 16 7.558 -11.046 -6.705 1.00 0.55 C ATOM 254 C PHE A 16 8.766 -10.401 -6.029 1.00 0.53 C ATOM 255 O PHE A 16 8.846 -10.407 -4.795 1.00 0.58 O ATOM 256 CB PHE A 16 6.606 -9.979 -7.272 1.00 0.61 C ATOM 257 CG PHE A 16 7.104 -9.323 -8.542 1.00 0.83 C ATOM 258 CD1 PHE A 16 7.068 -10.041 -9.752 1.00 1.70 C ATOM 259 CD2 PHE A 16 7.629 -8.017 -8.516 1.00 2.01 C ATOM 260 CE1 PHE A 16 7.555 -9.456 -10.932 1.00 1.88 C ATOM 261 CE2 PHE A 16 8.127 -7.438 -9.697 1.00 2.22 C ATOM 262 CZ PHE A 16 8.088 -8.156 -10.904 1.00 1.49 C ATOM 0 H PHE A 16 7.241 -11.713 -4.763 1.00 0.58 H new ATOM 0 HA PHE A 16 7.883 -11.663 -7.542 1.00 0.55 H new ATOM 0 HB2 PHE A 16 5.637 -10.438 -7.468 1.00 0.61 H new ATOM 0 HB3 PHE A 16 6.447 -9.210 -6.516 1.00 0.61 H new ATOM 0 HD1 PHE A 16 6.665 -11.043 -9.773 1.00 1.70 H new ATOM 0 HD2 PHE A 16 7.649 -7.461 -7.591 1.00 2.01 H new ATOM 0 HE1 PHE A 16 7.520 -10.005 -11.861 1.00 1.88 H new ATOM 0 HE2 PHE A 16 8.540 -6.440 -9.676 1.00 2.22 H new ATOM 0 HZ PHE A 16 8.468 -7.709 -11.811 1.00 1.49 H new ATOM 272 N THR A 17 9.673 -9.842 -6.837 1.00 0.54 N ATOM 273 CA THR A 17 10.847 -9.112 -6.386 1.00 0.53 C ATOM 274 C THR A 17 10.731 -7.665 -6.850 1.00 0.49 C ATOM 275 O THR A 17 10.857 -7.373 -8.037 1.00 0.69 O ATOM 276 CB THR A 17 12.134 -9.788 -6.874 1.00 0.60 C ATOM 277 OG1 THR A 17 12.058 -11.178 -6.623 1.00 0.70 O ATOM 278 CG2 THR A 17 13.333 -9.219 -6.106 1.00 0.58 C ATOM 0 H THR A 17 9.602 -9.891 -7.853 1.00 0.54 H new ATOM 0 HA THR A 17 10.899 -9.120 -5.297 1.00 0.53 H new ATOM 0 HB THR A 17 12.253 -9.605 -7.942 1.00 0.60 H new ATOM 0 HG1 THR A 17 12.879 -11.612 -6.936 1.00 0.70 H new ATOM 0 HG21 THR A 17 14.248 -9.699 -6.452 1.00 0.58 H new ATOM 0 HG22 THR A 17 13.399 -8.145 -6.279 1.00 0.58 H new ATOM 0 HG23 THR A 17 13.205 -9.408 -5.040 1.00 0.58 H new ATOM 286 N PHE A 18 10.472 -6.762 -5.907 1.00 0.36 N ATOM 287 CA PHE A 18 10.226 -5.354 -6.153 1.00 0.35 C ATOM 288 C PHE A 18 11.501 -4.568 -5.865 1.00 0.38 C ATOM 289 O PHE A 18 12.431 -5.080 -5.236 1.00 0.40 O ATOM 290 CB PHE A 18 9.120 -4.848 -5.220 1.00 0.33 C ATOM 291 CG PHE A 18 7.902 -5.751 -5.078 1.00 0.34 C ATOM 292 CD1 PHE A 18 7.929 -6.845 -4.188 1.00 2.05 C ATOM 293 CD2 PHE A 18 6.723 -5.468 -5.793 1.00 1.94 C ATOM 294 CE1 PHE A 18 6.797 -7.665 -4.039 1.00 2.08 C ATOM 295 CE2 PHE A 18 5.581 -6.273 -5.622 1.00 1.94 C ATOM 296 CZ PHE A 18 5.617 -7.368 -4.744 1.00 0.50 C ATOM 0 H PHE A 18 10.427 -7.005 -4.917 1.00 0.36 H new ATOM 0 HA PHE A 18 9.921 -5.219 -7.191 1.00 0.35 H new ATOM 0 HB2 PHE A 18 9.550 -4.692 -4.230 1.00 0.33 H new ATOM 0 HB3 PHE A 18 8.786 -3.875 -5.579 1.00 0.33 H new ATOM 0 HD1 PHE A 18 8.823 -7.053 -3.619 1.00 2.05 H new ATOM 0 HD2 PHE A 18 6.695 -4.631 -6.475 1.00 1.94 H new ATOM 0 HE1 PHE A 18 6.833 -8.523 -3.384 1.00 2.08 H new ATOM 0 HE2 PHE A 18 4.676 -6.048 -6.167 1.00 1.94 H new ATOM 0 HZ PHE A 18 4.739 -7.982 -4.610 1.00 0.50 H new ATOM 306 N GLN A 19 11.504 -3.295 -6.268 1.00 0.43 N ATOM 307 CA GLN A 19 12.514 -2.334 -5.867 1.00 0.50 C ATOM 308 C GLN A 19 11.827 -1.197 -5.122 1.00 0.50 C ATOM 309 O GLN A 19 10.796 -0.704 -5.585 1.00 0.51 O ATOM 310 CB GLN A 19 13.259 -1.789 -7.081 1.00 0.65 C ATOM 311 CG GLN A 19 13.676 -2.935 -8.007 1.00 0.90 C ATOM 312 CD GLN A 19 14.957 -2.634 -8.767 1.00 1.15 C ATOM 313 OE1 GLN A 19 15.416 -1.500 -8.840 1.00 2.01 O ATOM 314 NE2 GLN A 19 15.577 -3.673 -9.313 1.00 2.12 N ATOM 0 H GLN A 19 10.794 -2.906 -6.889 1.00 0.43 H new ATOM 0 HA GLN A 19 13.243 -2.823 -5.221 1.00 0.50 H new ATOM 0 HB2 GLN A 19 12.623 -1.088 -7.622 1.00 0.65 H new ATOM 0 HB3 GLN A 19 14.140 -1.235 -6.757 1.00 0.65 H new ATOM 0 HG2 GLN A 19 13.812 -3.842 -7.418 1.00 0.90 H new ATOM 0 HG3 GLN A 19 12.874 -3.133 -8.718 1.00 0.90 H new ATOM 0 HE21 GLN A 19 15.172 -4.606 -9.237 1.00 2.12 H new ATOM 0 HE22 GLN A 19 16.458 -3.538 -9.809 1.00 2.12 H new ATOM 323 N ASN A 20 12.383 -0.783 -3.985 1.00 0.55 N ATOM 324 CA ASN A 20 11.950 0.418 -3.286 1.00 0.64 C ATOM 325 C ASN A 20 12.619 1.673 -3.859 1.00 0.74 C ATOM 326 O ASN A 20 13.567 1.586 -4.640 1.00 0.69 O ATOM 327 CB ASN A 20 12.034 0.237 -1.760 1.00 0.71 C ATOM 328 CG ASN A 20 13.415 0.416 -1.166 1.00 0.76 C ATOM 329 OD1 ASN A 20 14.330 0.870 -1.845 1.00 1.10 O ATOM 330 ND2 ASN A 20 13.569 0.086 0.115 1.00 0.74 N ATOM 0 H ASN A 20 13.148 -1.275 -3.524 1.00 0.55 H new ATOM 0 HA ASN A 20 10.889 0.585 -3.471 1.00 0.64 H new ATOM 0 HB2 ASN A 20 11.357 0.949 -1.288 1.00 0.71 H new ATOM 0 HB3 ASN A 20 11.674 -0.760 -1.508 1.00 0.71 H new ATOM 0 HD21 ASN A 20 14.475 0.208 0.568 1.00 0.74 H new ATOM 0 HD22 ASN A 20 12.781 -0.289 0.643 1.00 0.74 H new ATOM 337 N GLN A 21 12.113 2.853 -3.491 1.00 0.97 N ATOM 338 CA GLN A 21 12.602 4.126 -4.031 1.00 1.19 C ATOM 339 C GLN A 21 13.933 4.529 -3.386 1.00 1.08 C ATOM 340 O GLN A 21 14.617 5.429 -3.867 1.00 1.15 O ATOM 341 CB GLN A 21 11.536 5.238 -3.997 1.00 1.92 C ATOM 342 CG GLN A 21 10.724 5.369 -2.707 1.00 2.52 C ATOM 343 CD GLN A 21 11.604 5.395 -1.467 1.00 2.26 C ATOM 344 OE1 GLN A 21 12.264 6.394 -1.199 1.00 2.35 O ATOM 345 NE2 GLN A 21 11.652 4.300 -0.716 1.00 2.65 N ATOM 0 H GLN A 21 11.357 2.954 -2.814 1.00 0.97 H new ATOM 0 HA GLN A 21 12.807 3.974 -5.091 1.00 1.19 H new ATOM 0 HB2 GLN A 21 12.031 6.190 -4.186 1.00 1.92 H new ATOM 0 HB3 GLN A 21 10.842 5.070 -4.821 1.00 1.92 H new ATOM 0 HG2 GLN A 21 10.130 6.282 -2.746 1.00 2.52 H new ATOM 0 HG3 GLN A 21 10.025 4.536 -2.635 1.00 2.52 H new ATOM 0 HE21 GLN A 21 11.091 3.485 -0.965 1.00 2.65 H new ATOM 0 HE22 GLN A 21 12.250 4.274 0.110 1.00 2.65 H new ATOM 354 N ASP A 22 14.314 3.800 -2.337 1.00 1.18 N ATOM 355 CA ASP A 22 15.638 3.761 -1.756 1.00 1.28 C ATOM 356 C ASP A 22 16.571 2.855 -2.578 1.00 1.10 C ATOM 357 O ASP A 22 17.696 2.589 -2.166 1.00 1.30 O ATOM 358 CB ASP A 22 15.473 3.390 -0.277 1.00 1.69 C ATOM 359 CG ASP A 22 14.997 4.588 0.530 1.00 3.37 C ATOM 360 OD1 ASP A 22 15.799 5.519 0.763 1.00 3.93 O ATOM 361 OD2 ASP A 22 13.786 4.662 0.827 1.00 4.68 O ATOM 0 H ASP A 22 13.661 3.188 -1.848 1.00 1.18 H new ATOM 0 HA ASP A 22 16.139 4.728 -1.790 1.00 1.28 H new ATOM 0 HB2 ASP A 22 14.758 2.573 -0.180 1.00 1.69 H new ATOM 0 HB3 ASP A 22 16.422 3.032 0.121 1.00 1.69 H new ATOM 366 N GLY A 23 16.140 2.433 -3.778 1.00 0.91 N ATOM 367 CA GLY A 23 16.971 1.735 -4.748 1.00 1.00 C ATOM 368 C GLY A 23 17.359 0.353 -4.244 1.00 1.03 C ATOM 369 O GLY A 23 18.407 -0.175 -4.607 1.00 1.46 O ATOM 0 H GLY A 23 15.182 2.575 -4.099 1.00 0.91 H new ATOM 0 HA2 GLY A 23 16.434 1.644 -5.692 1.00 1.00 H new ATOM 0 HA3 GLY A 23 17.870 2.318 -4.948 1.00 1.00 H new ATOM 373 N LYS A 24 16.516 -0.222 -3.385 1.00 0.77 N ATOM 374 CA LYS A 24 16.832 -1.380 -2.585 1.00 0.79 C ATOM 375 C LYS A 24 15.798 -2.453 -2.920 1.00 0.70 C ATOM 376 O LYS A 24 14.594 -2.197 -2.915 1.00 0.66 O ATOM 377 CB LYS A 24 16.768 -0.900 -1.134 1.00 0.97 C ATOM 378 CG LYS A 24 17.447 -1.731 -0.058 1.00 1.09 C ATOM 379 CD LYS A 24 16.772 -3.106 0.004 1.00 1.61 C ATOM 380 CE LYS A 24 17.113 -3.971 1.214 1.00 2.21 C ATOM 381 NZ LYS A 24 16.259 -5.180 1.210 1.00 3.38 N ATOM 0 H LYS A 24 15.569 0.125 -3.231 1.00 0.77 H new ATOM 0 HA LYS A 24 17.815 -1.814 -2.768 1.00 0.79 H new ATOM 0 HB2 LYS A 24 17.198 0.101 -1.098 1.00 0.97 H new ATOM 0 HB3 LYS A 24 15.716 -0.805 -0.864 1.00 0.97 H new ATOM 0 HG2 LYS A 24 18.508 -1.841 -0.280 1.00 1.09 H new ATOM 0 HG3 LYS A 24 17.374 -1.231 0.908 1.00 1.09 H new ATOM 0 HD2 LYS A 24 15.692 -2.959 -0.018 1.00 1.61 H new ATOM 0 HD3 LYS A 24 17.037 -3.658 -0.897 1.00 1.61 H new ATOM 0 HE2 LYS A 24 18.165 -4.255 1.187 1.00 2.21 H new ATOM 0 HE3 LYS A 24 16.959 -3.406 2.134 1.00 2.21 H new ATOM 0 HZ1 LYS A 24 15.678 -5.197 2.072 1.00 3.38 H new ATOM 0 HZ2 LYS A 24 15.639 -5.165 0.375 1.00 3.38 H new ATOM 0 HZ3 LYS A 24 16.859 -6.029 1.180 1.00 3.38 H new ATOM 395 N ASN A 25 16.270 -3.662 -3.220 1.00 0.68 N ATOM 396 CA ASN A 25 15.413 -4.774 -3.600 1.00 0.65 C ATOM 397 C ASN A 25 14.749 -5.380 -2.370 1.00 0.64 C ATOM 398 O ASN A 25 15.379 -5.521 -1.314 1.00 0.78 O ATOM 399 CB ASN A 25 16.212 -5.854 -4.335 1.00 0.69 C ATOM 400 CG ASN A 25 16.814 -5.325 -5.627 1.00 1.99 C ATOM 401 OD1 ASN A 25 17.989 -4.980 -5.674 1.00 2.48 O ATOM 402 ND2 ASN A 25 16.009 -5.242 -6.680 1.00 3.46 N ATOM 0 H ASN A 25 17.263 -3.895 -3.205 1.00 0.68 H new ATOM 0 HA ASN A 25 14.644 -4.389 -4.270 1.00 0.65 H new ATOM 0 HB2 ASN A 25 17.007 -6.223 -3.687 1.00 0.69 H new ATOM 0 HB3 ASN A 25 15.562 -6.701 -4.556 1.00 0.69 H new ATOM 0 HD21 ASN A 25 16.364 -4.881 -7.566 1.00 3.46 H new ATOM 0 HD22 ASN A 25 15.036 -5.539 -6.603 1.00 3.46 H new ATOM 409 N VAL A 26 13.481 -5.764 -2.517 1.00 0.47 N ATOM 410 CA VAL A 26 12.737 -6.533 -1.540 1.00 0.38 C ATOM 411 C VAL A 26 12.003 -7.626 -2.312 1.00 0.47 C ATOM 412 O VAL A 26 11.517 -7.364 -3.413 1.00 0.68 O ATOM 413 CB VAL A 26 11.769 -5.615 -0.772 1.00 0.51 C ATOM 414 CG1 VAL A 26 12.521 -4.564 0.053 1.00 1.04 C ATOM 415 CG2 VAL A 26 10.739 -4.926 -1.665 1.00 1.33 C ATOM 0 H VAL A 26 12.934 -5.538 -3.347 1.00 0.47 H new ATOM 0 HA VAL A 26 13.391 -6.984 -0.793 1.00 0.38 H new ATOM 0 HB VAL A 26 11.222 -6.279 -0.102 1.00 0.51 H new ATOM 0 HG11 VAL A 26 11.804 -3.935 0.581 1.00 1.04 H new ATOM 0 HG12 VAL A 26 13.167 -5.063 0.775 1.00 1.04 H new ATOM 0 HG13 VAL A 26 13.127 -3.946 -0.610 1.00 1.04 H new ATOM 0 HG21 VAL A 26 10.092 -4.296 -1.055 1.00 1.33 H new ATOM 0 HG22 VAL A 26 11.252 -4.311 -2.404 1.00 1.33 H new ATOM 0 HG23 VAL A 26 10.137 -5.679 -2.174 1.00 1.33 H new ATOM 425 N SER A 27 11.919 -8.835 -1.759 1.00 0.52 N ATOM 426 CA SER A 27 11.098 -9.895 -2.321 1.00 0.67 C ATOM 427 C SER A 27 9.909 -10.090 -1.392 1.00 0.67 C ATOM 428 O SER A 27 9.992 -9.727 -0.219 1.00 0.60 O ATOM 429 CB SER A 27 11.921 -11.176 -2.496 1.00 0.80 C ATOM 430 OG SER A 27 13.241 -10.877 -2.917 1.00 2.18 O ATOM 0 H SER A 27 12.419 -9.102 -0.911 1.00 0.52 H new ATOM 0 HA SER A 27 10.737 -9.631 -3.315 1.00 0.67 H new ATOM 0 HB2 SER A 27 11.951 -11.725 -1.555 1.00 0.80 H new ATOM 0 HB3 SER A 27 11.440 -11.825 -3.228 1.00 0.80 H new ATOM 0 HG SER A 27 13.748 -11.709 -3.020 1.00 2.18 H new ATOM 436 N LEU A 28 8.801 -10.661 -1.867 1.00 0.76 N ATOM 437 CA LEU A 28 7.703 -10.961 -0.968 1.00 0.72 C ATOM 438 C LEU A 28 8.187 -11.846 0.187 1.00 0.57 C ATOM 439 O LEU A 28 7.780 -11.674 1.330 1.00 0.59 O ATOM 440 CB LEU A 28 6.586 -11.632 -1.756 1.00 0.82 C ATOM 441 CG LEU A 28 5.258 -11.459 -1.013 1.00 0.86 C ATOM 442 CD1 LEU A 28 4.634 -10.110 -1.392 1.00 0.99 C ATOM 443 CD2 LEU A 28 4.311 -12.595 -1.381 1.00 1.29 C ATOM 0 H LEU A 28 8.648 -10.916 -2.843 1.00 0.76 H new ATOM 0 HA LEU A 28 7.318 -10.040 -0.532 1.00 0.72 H new ATOM 0 HB2 LEU A 28 6.517 -11.195 -2.752 1.00 0.82 H new ATOM 0 HB3 LEU A 28 6.806 -12.692 -1.887 1.00 0.82 H new ATOM 0 HG LEU A 28 5.436 -11.482 0.062 1.00 0.86 H new ATOM 0 HD11 LEU A 28 3.689 -9.985 -0.864 1.00 0.99 H new ATOM 0 HD12 LEU A 28 5.314 -9.304 -1.115 1.00 0.99 H new ATOM 0 HD13 LEU A 28 4.456 -10.081 -2.467 1.00 0.99 H new ATOM 0 HD21 LEU A 28 3.367 -12.468 -0.850 1.00 1.29 H new ATOM 0 HD22 LEU A 28 4.128 -12.582 -2.455 1.00 1.29 H new ATOM 0 HD23 LEU A 28 4.760 -13.548 -1.101 1.00 1.29 H new ATOM 455 N GLU A 29 9.116 -12.752 -0.108 1.00 0.55 N ATOM 456 CA GLU A 29 9.808 -13.618 0.828 1.00 0.55 C ATOM 457 C GLU A 29 10.489 -12.818 1.946 1.00 0.50 C ATOM 458 O GLU A 29 10.604 -13.299 3.069 1.00 0.54 O ATOM 459 CB GLU A 29 10.816 -14.477 0.067 1.00 0.69 C ATOM 460 CG GLU A 29 10.193 -15.422 -0.982 1.00 0.98 C ATOM 461 CD GLU A 29 9.657 -14.743 -2.242 1.00 2.18 C ATOM 462 OE1 GLU A 29 10.030 -13.568 -2.464 1.00 3.37 O ATOM 463 OE2 GLU A 29 8.853 -15.392 -2.937 1.00 3.14 O ATOM 0 H GLU A 29 9.421 -12.906 -1.069 1.00 0.55 H new ATOM 0 HA GLU A 29 9.077 -14.266 1.311 1.00 0.55 H new ATOM 0 HB2 GLU A 29 11.529 -13.821 -0.432 1.00 0.69 H new ATOM 0 HB3 GLU A 29 11.380 -15.073 0.784 1.00 0.69 H new ATOM 0 HG2 GLU A 29 10.944 -16.155 -1.277 1.00 0.98 H new ATOM 0 HG3 GLU A 29 9.378 -15.972 -0.512 1.00 0.98 H new ATOM 470 N SER A 30 10.919 -11.587 1.655 1.00 0.49 N ATOM 471 CA SER A 30 11.467 -10.660 2.636 1.00 0.52 C ATOM 472 C SER A 30 10.432 -10.187 3.670 1.00 0.52 C ATOM 473 O SER A 30 10.788 -9.394 4.541 1.00 0.66 O ATOM 474 CB SER A 30 12.128 -9.476 1.942 1.00 0.61 C ATOM 475 OG SER A 30 12.817 -9.860 0.762 1.00 1.46 O ATOM 0 H SER A 30 10.893 -11.204 0.710 1.00 0.49 H new ATOM 0 HA SER A 30 12.222 -11.211 3.196 1.00 0.52 H new ATOM 0 HB2 SER A 30 11.369 -8.734 1.692 1.00 0.61 H new ATOM 0 HB3 SER A 30 12.827 -8.999 2.629 1.00 0.61 H new ATOM 0 HG SER A 30 13.575 -9.256 0.615 1.00 1.46 H new ATOM 481 N LEU A 31 9.155 -10.545 3.498 1.00 0.49 N ATOM 482 CA LEU A 31 8.028 -10.139 4.329 1.00 0.53 C ATOM 483 C LEU A 31 7.168 -11.338 4.769 1.00 0.56 C ATOM 484 O LEU A 31 6.628 -11.347 5.875 1.00 0.66 O ATOM 485 CB LEU A 31 7.177 -9.160 3.514 1.00 0.56 C ATOM 486 CG LEU A 31 7.958 -7.933 3.024 1.00 0.52 C ATOM 487 CD1 LEU A 31 7.165 -7.219 1.931 1.00 0.55 C ATOM 488 CD2 LEU A 31 8.229 -6.998 4.204 1.00 0.52 C ATOM 0 H LEU A 31 8.870 -11.158 2.734 1.00 0.49 H new ATOM 0 HA LEU A 31 8.408 -9.673 5.238 1.00 0.53 H new ATOM 0 HB2 LEU A 31 6.759 -9.683 2.653 1.00 0.56 H new ATOM 0 HB3 LEU A 31 6.337 -8.827 4.123 1.00 0.56 H new ATOM 0 HG LEU A 31 8.913 -8.246 2.603 1.00 0.52 H new ATOM 0 HD11 LEU A 31 7.723 -6.349 1.586 1.00 0.55 H new ATOM 0 HD12 LEU A 31 7.002 -7.900 1.096 1.00 0.55 H new ATOM 0 HD13 LEU A 31 6.203 -6.898 2.330 1.00 0.55 H new ATOM 0 HD21 LEU A 31 8.784 -6.126 3.857 1.00 0.52 H new ATOM 0 HD22 LEU A 31 7.282 -6.677 4.638 1.00 0.52 H new ATOM 0 HD23 LEU A 31 8.814 -7.524 4.958 1.00 0.52 H new ATOM 500 N LYS A 32 7.000 -12.338 3.899 1.00 0.61 N ATOM 501 CA LYS A 32 6.213 -13.529 4.165 1.00 0.61 C ATOM 502 C LYS A 32 6.599 -14.156 5.498 1.00 0.60 C ATOM 503 O LYS A 32 7.777 -14.323 5.802 1.00 0.74 O ATOM 504 CB LYS A 32 6.346 -14.505 3.003 1.00 0.68 C ATOM 505 CG LYS A 32 5.535 -15.799 3.200 1.00 0.94 C ATOM 506 CD LYS A 32 6.441 -16.882 3.788 1.00 2.60 C ATOM 507 CE LYS A 32 5.860 -18.300 3.641 1.00 2.85 C ATOM 508 NZ LYS A 32 5.043 -18.721 4.798 1.00 4.09 N ATOM 0 H LYS A 32 7.421 -12.334 2.970 1.00 0.61 H new ATOM 0 HA LYS A 32 5.162 -13.252 4.249 1.00 0.61 H new ATOM 0 HB2 LYS A 32 6.018 -14.015 2.086 1.00 0.68 H new ATOM 0 HB3 LYS A 32 7.397 -14.760 2.870 1.00 0.68 H new ATOM 0 HG2 LYS A 32 4.691 -15.615 3.865 1.00 0.94 H new ATOM 0 HG3 LYS A 32 5.123 -16.132 2.247 1.00 0.94 H new ATOM 0 HD2 LYS A 32 7.413 -16.841 3.296 1.00 2.60 H new ATOM 0 HD3 LYS A 32 6.609 -16.672 4.844 1.00 2.60 H new ATOM 0 HE2 LYS A 32 5.249 -18.343 2.739 1.00 2.85 H new ATOM 0 HE3 LYS A 32 6.678 -19.008 3.506 1.00 2.85 H new ATOM 0 HZ1 LYS A 32 4.372 -19.457 4.499 1.00 4.09 H new ATOM 0 HZ2 LYS A 32 5.664 -19.100 5.542 1.00 4.09 H new ATOM 0 HZ3 LYS A 32 4.518 -17.903 5.168 1.00 4.09 H new ATOM 522 N GLY A 33 5.583 -14.518 6.280 1.00 0.61 N ATOM 523 CA GLY A 33 5.754 -14.994 7.642 1.00 0.68 C ATOM 524 C GLY A 33 5.379 -13.901 8.637 1.00 0.59 C ATOM 525 O GLY A 33 4.863 -14.221 9.705 1.00 0.60 O ATOM 0 H GLY A 33 4.609 -14.487 5.978 1.00 0.61 H new ATOM 0 HA2 GLY A 33 5.133 -15.874 7.807 1.00 0.68 H new ATOM 0 HA3 GLY A 33 6.788 -15.300 7.800 1.00 0.68 H new ATOM 529 N GLU A 34 5.617 -12.630 8.289 1.00 0.53 N ATOM 530 CA GLU A 34 5.352 -11.504 9.178 1.00 0.50 C ATOM 531 C GLU A 34 4.017 -10.823 8.868 1.00 0.40 C ATOM 532 O GLU A 34 3.446 -11.017 7.797 1.00 0.44 O ATOM 533 CB GLU A 34 6.529 -10.514 9.114 1.00 0.55 C ATOM 534 CG GLU A 34 7.405 -10.634 10.364 1.00 0.85 C ATOM 535 CD GLU A 34 6.787 -9.900 11.545 1.00 2.34 C ATOM 536 OE1 GLU A 34 5.539 -9.947 11.659 1.00 3.50 O ATOM 537 OE2 GLU A 34 7.578 -9.281 12.290 1.00 3.20 O ATOM 0 H GLU A 34 5.998 -12.359 7.383 1.00 0.53 H new ATOM 0 HA GLU A 34 5.264 -11.882 10.197 1.00 0.50 H new ATOM 0 HB2 GLU A 34 7.127 -10.710 8.224 1.00 0.55 H new ATOM 0 HB3 GLU A 34 6.150 -9.496 9.026 1.00 0.55 H new ATOM 0 HG2 GLU A 34 7.539 -11.686 10.617 1.00 0.85 H new ATOM 0 HG3 GLU A 34 8.395 -10.227 10.158 1.00 0.85 H new ATOM 544 N VAL A 35 3.519 -10.010 9.805 1.00 0.34 N ATOM 545 CA VAL A 35 2.278 -9.250 9.640 1.00 0.31 C ATOM 546 C VAL A 35 2.592 -7.851 9.136 1.00 0.32 C ATOM 547 O VAL A 35 2.456 -6.849 9.833 1.00 0.36 O ATOM 548 CB VAL A 35 1.427 -9.285 10.919 1.00 0.34 C ATOM 549 CG1 VAL A 35 2.081 -8.700 12.179 1.00 0.37 C ATOM 550 CG2 VAL A 35 0.055 -8.639 10.684 1.00 0.39 C ATOM 0 H VAL A 35 3.971 -9.860 10.707 1.00 0.34 H new ATOM 0 HA VAL A 35 1.657 -9.721 8.878 1.00 0.31 H new ATOM 0 HB VAL A 35 1.317 -10.348 11.132 1.00 0.34 H new ATOM 0 HG11 VAL A 35 1.389 -8.778 13.018 1.00 0.37 H new ATOM 0 HG12 VAL A 35 2.992 -9.254 12.407 1.00 0.37 H new ATOM 0 HG13 VAL A 35 2.327 -7.652 12.008 1.00 0.37 H new ATOM 0 HG21 VAL A 35 -0.527 -8.677 11.605 1.00 0.39 H new ATOM 0 HG22 VAL A 35 0.189 -7.600 10.382 1.00 0.39 H new ATOM 0 HG23 VAL A 35 -0.472 -9.180 9.899 1.00 0.39 H new ATOM 560 N TRP A 36 3.036 -7.792 7.889 1.00 0.43 N ATOM 561 CA TRP A 36 3.476 -6.550 7.300 1.00 0.39 C ATOM 562 C TRP A 36 2.291 -5.741 6.776 1.00 0.36 C ATOM 563 O TRP A 36 1.296 -6.275 6.280 1.00 0.36 O ATOM 564 CB TRP A 36 4.555 -6.841 6.267 1.00 0.37 C ATOM 565 CG TRP A 36 4.124 -7.687 5.123 1.00 0.35 C ATOM 566 CD1 TRP A 36 3.989 -9.030 5.095 1.00 0.38 C ATOM 567 CD2 TRP A 36 3.795 -7.223 3.796 1.00 0.34 C ATOM 568 NE1 TRP A 36 3.615 -9.425 3.831 1.00 0.38 N ATOM 569 CE2 TRP A 36 3.540 -8.348 2.964 1.00 0.38 C ATOM 570 CE3 TRP A 36 3.707 -5.946 3.222 1.00 0.33 C ATOM 571 CZ2 TRP A 36 3.263 -8.201 1.597 1.00 0.43 C ATOM 572 CZ3 TRP A 36 3.357 -5.788 1.874 1.00 0.36 C ATOM 573 CH2 TRP A 36 3.205 -6.906 1.049 1.00 0.43 C ATOM 0 H TRP A 36 3.099 -8.599 7.268 1.00 0.43 H new ATOM 0 HA TRP A 36 3.932 -5.909 8.054 1.00 0.39 H new ATOM 0 HB2 TRP A 36 4.928 -5.894 5.878 1.00 0.37 H new ATOM 0 HB3 TRP A 36 5.391 -7.331 6.766 1.00 0.37 H new ATOM 0 HD1 TRP A 36 4.149 -9.691 5.934 1.00 0.38 H new ATOM 0 HE1 TRP A 36 3.418 -10.390 3.566 1.00 0.38 H new ATOM 0 HE3 TRP A 36 3.911 -5.074 3.826 1.00 0.33 H new ATOM 0 HZ2 TRP A 36 3.097 -9.068 0.975 1.00 0.43 H new ATOM 0 HZ3 TRP A 36 3.204 -4.798 1.471 1.00 0.36 H new ATOM 0 HH2 TRP A 36 3.043 -6.776 -0.011 1.00 0.43 H new ATOM 584 N LEU A 37 2.387 -4.427 6.953 1.00 0.41 N ATOM 585 CA LEU A 37 1.344 -3.488 6.595 1.00 0.42 C ATOM 586 C LEU A 37 1.610 -3.071 5.147 1.00 0.38 C ATOM 587 O LEU A 37 2.763 -3.038 4.718 1.00 0.37 O ATOM 588 CB LEU A 37 1.352 -2.320 7.579 1.00 0.55 C ATOM 589 CG LEU A 37 0.772 -2.654 8.972 1.00 0.62 C ATOM 590 CD1 LEU A 37 -0.747 -2.447 8.981 1.00 2.11 C ATOM 591 CD2 LEU A 37 1.108 -4.037 9.539 1.00 1.31 C ATOM 0 H LEU A 37 3.211 -3.982 7.358 1.00 0.41 H new ATOM 0 HA LEU A 37 0.345 -3.920 6.656 1.00 0.42 H new ATOM 0 HB2 LEU A 37 2.377 -1.970 7.700 1.00 0.55 H new ATOM 0 HB3 LEU A 37 0.782 -1.496 7.150 1.00 0.55 H new ATOM 0 HG LEU A 37 1.275 -1.954 9.639 1.00 0.62 H new ATOM 0 HD11 LEU A 37 -1.141 -2.686 9.969 1.00 2.11 H new ATOM 0 HD12 LEU A 37 -0.974 -1.408 8.742 1.00 2.11 H new ATOM 0 HD13 LEU A 37 -1.207 -3.099 8.239 1.00 2.11 H new ATOM 0 HD21 LEU A 37 0.644 -4.151 10.519 1.00 1.31 H new ATOM 0 HD22 LEU A 37 0.730 -4.807 8.867 1.00 1.31 H new ATOM 0 HD23 LEU A 37 2.189 -4.138 9.635 1.00 1.31 H new ATOM 603 N ALA A 38 0.556 -2.810 4.379 1.00 0.46 N ATOM 604 CA ALA A 38 0.640 -2.535 2.950 1.00 0.51 C ATOM 605 C ALA A 38 -0.259 -1.364 2.604 1.00 0.58 C ATOM 606 O ALA A 38 -1.433 -1.348 2.966 1.00 0.89 O ATOM 607 CB ALA A 38 0.230 -3.767 2.148 1.00 0.66 C ATOM 0 H ALA A 38 -0.398 -2.783 4.740 1.00 0.46 H new ATOM 0 HA ALA A 38 1.670 -2.284 2.696 1.00 0.51 H new ATOM 0 HB1 ALA A 38 0.298 -3.547 1.083 1.00 0.66 H new ATOM 0 HB2 ALA A 38 0.895 -4.596 2.390 1.00 0.66 H new ATOM 0 HB3 ALA A 38 -0.796 -4.039 2.398 1.00 0.66 H new ATOM 613 N ASP A 39 0.310 -0.407 1.876 1.00 0.57 N ATOM 614 CA ASP A 39 -0.349 0.817 1.473 1.00 0.66 C ATOM 615 C ASP A 39 -0.103 1.057 -0.006 1.00 0.78 C ATOM 616 O ASP A 39 0.679 0.355 -0.654 1.00 1.69 O ATOM 617 CB ASP A 39 0.207 1.966 2.316 1.00 1.07 C ATOM 618 CG ASP A 39 -0.131 1.737 3.775 1.00 1.64 C ATOM 619 OD1 ASP A 39 -1.341 1.718 4.063 1.00 2.83 O ATOM 620 OD2 ASP A 39 0.822 1.569 4.564 1.00 2.44 O ATOM 0 H ASP A 39 1.272 -0.471 1.544 1.00 0.57 H new ATOM 0 HA ASP A 39 -1.425 0.747 1.632 1.00 0.66 H new ATOM 0 HB2 ASP A 39 1.287 2.034 2.189 1.00 1.07 H new ATOM 0 HB3 ASP A 39 -0.213 2.914 1.979 1.00 1.07 H new ATOM 625 N PHE A 40 -0.780 2.067 -0.544 1.00 0.60 N ATOM 626 CA PHE A 40 -0.558 2.523 -1.897 1.00 0.66 C ATOM 627 C PHE A 40 -1.026 3.973 -2.002 1.00 0.73 C ATOM 628 O PHE A 40 -2.156 4.281 -1.633 1.00 0.93 O ATOM 629 CB PHE A 40 -1.178 1.550 -2.921 1.00 0.88 C ATOM 630 CG PHE A 40 -2.676 1.291 -2.831 1.00 0.97 C ATOM 631 CD1 PHE A 40 -3.220 0.635 -1.711 1.00 1.91 C ATOM 632 CD2 PHE A 40 -3.512 1.559 -3.932 1.00 2.09 C ATOM 633 CE1 PHE A 40 -4.583 0.312 -1.667 1.00 2.03 C ATOM 634 CE2 PHE A 40 -4.865 1.184 -3.912 1.00 2.23 C ATOM 635 CZ PHE A 40 -5.406 0.564 -2.776 1.00 1.43 C ATOM 0 H PHE A 40 -1.500 2.589 -0.045 1.00 0.60 H new ATOM 0 HA PHE A 40 0.503 2.519 -2.148 1.00 0.66 H new ATOM 0 HB2 PHE A 40 -0.962 1.931 -3.919 1.00 0.88 H new ATOM 0 HB3 PHE A 40 -0.665 0.593 -2.828 1.00 0.88 H new ATOM 0 HD1 PHE A 40 -2.582 0.378 -0.878 1.00 1.91 H new ATOM 0 HD2 PHE A 40 -3.108 2.058 -4.801 1.00 2.09 H new ATOM 0 HE1 PHE A 40 -5.002 -0.133 -0.776 1.00 2.03 H new ATOM 0 HE2 PHE A 40 -5.490 1.373 -4.772 1.00 2.23 H new ATOM 0 HZ PHE A 40 -6.448 0.282 -2.755 1.00 1.43 H new ATOM 645 N ILE A 41 -0.131 4.874 -2.429 1.00 0.73 N ATOM 646 CA ILE A 41 -0.406 6.300 -2.570 1.00 0.89 C ATOM 647 C ILE A 41 0.262 6.835 -3.840 1.00 0.84 C ATOM 648 O ILE A 41 1.105 6.163 -4.436 1.00 0.65 O ATOM 649 CB ILE A 41 -0.003 7.092 -1.304 1.00 1.09 C ATOM 650 CG1 ILE A 41 1.430 6.849 -0.791 1.00 1.26 C ATOM 651 CG2 ILE A 41 -0.975 6.797 -0.152 1.00 1.28 C ATOM 652 CD1 ILE A 41 2.525 7.327 -1.749 1.00 1.42 C ATOM 0 H ILE A 41 0.822 4.621 -2.690 1.00 0.73 H new ATOM 0 HA ILE A 41 -1.482 6.441 -2.674 1.00 0.89 H new ATOM 0 HB ILE A 41 -0.047 8.133 -1.623 1.00 1.09 H new ATOM 0 HG12 ILE A 41 1.553 7.356 0.166 1.00 1.26 H new ATOM 0 HG13 ILE A 41 1.563 5.783 -0.607 1.00 1.26 H new ATOM 0 HG21 ILE A 41 -0.676 7.363 0.730 1.00 1.28 H new ATOM 0 HG22 ILE A 41 -1.984 7.087 -0.444 1.00 1.28 H new ATOM 0 HG23 ILE A 41 -0.956 5.731 0.077 1.00 1.28 H new ATOM 0 HD11 ILE A 41 3.503 7.120 -1.315 1.00 1.42 H new ATOM 0 HD12 ILE A 41 2.431 6.802 -2.700 1.00 1.42 H new ATOM 0 HD13 ILE A 41 2.421 8.399 -1.915 1.00 1.42 H new ATOM 664 N PHE A 42 -0.147 8.032 -4.259 1.00 1.11 N ATOM 665 CA PHE A 42 0.294 8.754 -5.444 1.00 0.97 C ATOM 666 C PHE A 42 0.457 10.203 -5.004 1.00 0.97 C ATOM 667 O PHE A 42 -0.289 10.649 -4.134 1.00 1.31 O ATOM 668 CB PHE A 42 -0.775 8.689 -6.556 1.00 0.94 C ATOM 669 CG PHE A 42 -2.226 8.786 -6.080 1.00 1.01 C ATOM 670 CD1 PHE A 42 -2.858 7.701 -5.437 1.00 2.14 C ATOM 671 CD2 PHE A 42 -2.950 9.974 -6.278 1.00 2.21 C ATOM 672 CE1 PHE A 42 -4.200 7.786 -5.031 1.00 2.20 C ATOM 673 CE2 PHE A 42 -4.301 10.054 -5.897 1.00 2.22 C ATOM 674 CZ PHE A 42 -4.930 8.959 -5.278 1.00 1.18 C ATOM 0 H PHE A 42 -0.848 8.559 -3.737 1.00 1.11 H new ATOM 0 HA PHE A 42 1.215 8.326 -5.840 1.00 0.97 H new ATOM 0 HB2 PHE A 42 -0.588 9.497 -7.263 1.00 0.94 H new ATOM 0 HB3 PHE A 42 -0.651 7.753 -7.101 1.00 0.94 H new ATOM 0 HD1 PHE A 42 -2.303 6.793 -5.254 1.00 2.14 H new ATOM 0 HD2 PHE A 42 -2.466 10.830 -6.725 1.00 2.21 H new ATOM 0 HE1 PHE A 42 -4.669 6.952 -4.530 1.00 2.20 H new ATOM 0 HE2 PHE A 42 -4.858 10.961 -6.081 1.00 2.22 H new ATOM 0 HZ PHE A 42 -5.970 9.020 -4.994 1.00 1.18 H new ATOM 684 N THR A 43 1.397 10.939 -5.595 1.00 0.97 N ATOM 685 CA THR A 43 1.519 12.379 -5.396 1.00 1.13 C ATOM 686 C THR A 43 1.258 13.157 -6.685 1.00 1.12 C ATOM 687 O THR A 43 0.885 14.328 -6.605 1.00 2.15 O ATOM 688 CB THR A 43 2.846 12.735 -4.722 1.00 1.58 C ATOM 689 OG1 THR A 43 2.971 14.136 -4.537 1.00 3.04 O ATOM 690 CG2 THR A 43 4.048 12.215 -5.496 1.00 2.55 C ATOM 0 H THR A 43 2.097 10.550 -6.227 1.00 0.97 H new ATOM 0 HA THR A 43 0.736 12.693 -4.706 1.00 1.13 H new ATOM 0 HB THR A 43 2.833 12.244 -3.749 1.00 1.58 H new ATOM 0 HG1 THR A 43 2.891 14.348 -3.584 1.00 3.04 H new ATOM 0 HG21 THR A 43 4.964 12.494 -4.976 1.00 2.55 H new ATOM 0 HG22 THR A 43 3.990 11.129 -5.572 1.00 2.55 H new ATOM 0 HG23 THR A 43 4.052 12.649 -6.496 1.00 2.55 H new ATOM 771 N CYS A 49 -3.502 18.535 -0.373 1.00 1.64 N ATOM 772 CA CYS A 49 -4.717 18.806 0.394 1.00 1.48 C ATOM 773 C CYS A 49 -5.244 17.578 1.158 1.00 1.42 C ATOM 774 O CYS A 49 -5.448 17.676 2.369 1.00 1.31 O ATOM 775 CB CYS A 49 -5.795 19.426 -0.493 1.00 1.72 C ATOM 776 SG CYS A 49 -7.314 19.643 0.456 1.00 1.70 S ATOM 0 HA CYS A 49 -4.444 19.532 1.160 1.00 1.48 H new ATOM 0 HB2 CYS A 49 -5.455 20.388 -0.877 1.00 1.72 H new ATOM 0 HB3 CYS A 49 -5.982 18.786 -1.355 1.00 1.72 H new ATOM 0 HG CYS A 49 -8.227 20.173 -0.302 1.00 1.70 H new ATOM 782 N PRO A 50 -5.505 16.427 0.510 1.00 1.63 N ATOM 783 CA PRO A 50 -6.137 15.310 1.196 1.00 1.66 C ATOM 784 C PRO A 50 -5.180 14.604 2.172 1.00 1.29 C ATOM 785 O PRO A 50 -3.964 14.612 1.961 1.00 1.13 O ATOM 786 CB PRO A 50 -6.598 14.358 0.092 1.00 2.04 C ATOM 787 CG PRO A 50 -5.619 14.637 -1.045 1.00 2.11 C ATOM 788 CD PRO A 50 -5.348 16.131 -0.907 1.00 1.98 C ATOM 0 HA PRO A 50 -6.968 15.656 1.811 1.00 1.66 H new ATOM 0 HB2 PRO A 50 -6.554 13.318 0.414 1.00 2.04 H new ATOM 0 HB3 PRO A 50 -7.628 14.556 -0.206 1.00 2.04 H new ATOM 0 HG2 PRO A 50 -4.706 14.050 -0.944 1.00 2.11 H new ATOM 0 HG3 PRO A 50 -6.049 14.393 -2.016 1.00 2.11 H new ATOM 0 HD2 PRO A 50 -4.344 16.381 -1.251 1.00 1.98 H new ATOM 0 HD3 PRO A 50 -6.046 16.713 -1.509 1.00 1.98 H new ATOM 796 N PRO A 51 -5.727 13.950 3.215 1.00 1.30 N ATOM 797 CA PRO A 51 -4.968 13.201 4.206 1.00 1.12 C ATOM 798 C PRO A 51 -4.454 11.890 3.605 1.00 1.08 C ATOM 799 O PRO A 51 -4.963 10.804 3.881 1.00 1.37 O ATOM 800 CB PRO A 51 -5.939 12.976 5.366 1.00 1.43 C ATOM 801 CG PRO A 51 -7.297 12.899 4.671 1.00 1.75 C ATOM 802 CD PRO A 51 -7.149 13.909 3.533 1.00 1.68 C ATOM 0 HA PRO A 51 -4.079 13.731 4.547 1.00 1.12 H new ATOM 0 HB2 PRO A 51 -5.712 12.059 5.910 1.00 1.43 H new ATOM 0 HB3 PRO A 51 -5.901 13.792 6.088 1.00 1.43 H new ATOM 0 HG2 PRO A 51 -7.505 11.896 4.298 1.00 1.75 H new ATOM 0 HG3 PRO A 51 -8.112 13.164 5.344 1.00 1.75 H new ATOM 0 HD2 PRO A 51 -7.735 13.607 2.665 1.00 1.68 H new ATOM 0 HD3 PRO A 51 -7.510 14.892 3.835 1.00 1.68 H new ATOM 810 N MET A 52 -3.422 11.995 2.772 1.00 0.88 N ATOM 811 CA MET A 52 -2.830 10.841 2.126 1.00 0.86 C ATOM 812 C MET A 52 -2.043 10.017 3.136 1.00 0.70 C ATOM 813 O MET A 52 -2.589 9.074 3.703 1.00 0.86 O ATOM 814 CB MET A 52 -1.991 11.240 0.912 1.00 0.96 C ATOM 815 CG MET A 52 -2.875 11.616 -0.278 1.00 1.29 C ATOM 816 SD MET A 52 -1.930 11.974 -1.777 1.00 2.09 S ATOM 817 CE MET A 52 -3.249 12.042 -3.009 1.00 2.15 C ATOM 0 H MET A 52 -2.979 12.881 2.531 1.00 0.88 H new ATOM 0 HA MET A 52 -3.632 10.211 1.742 1.00 0.86 H new ATOM 0 HB2 MET A 52 -1.350 12.083 1.172 1.00 0.96 H new ATOM 0 HB3 MET A 52 -1.335 10.415 0.634 1.00 0.96 H new ATOM 0 HG2 MET A 52 -3.569 10.800 -0.479 1.00 1.29 H new ATOM 0 HG3 MET A 52 -3.475 12.488 -0.017 1.00 1.29 H new ATOM 0 HE1 MET A 52 -2.813 12.131 -4.004 1.00 2.15 H new ATOM 0 HE2 MET A 52 -3.845 11.131 -2.954 1.00 2.15 H new ATOM 0 HE3 MET A 52 -3.886 12.905 -2.813 1.00 2.15 H new ATOM 827 N THR A 53 -0.780 10.358 3.403 1.00 0.62 N ATOM 828 CA THR A 53 0.072 9.539 4.248 1.00 0.57 C ATOM 829 C THR A 53 -0.220 9.778 5.738 1.00 0.77 C ATOM 830 O THR A 53 0.538 9.328 6.592 1.00 1.27 O ATOM 831 CB THR A 53 1.539 9.789 3.851 1.00 0.74 C ATOM 832 OG1 THR A 53 1.595 10.586 2.683 1.00 1.38 O ATOM 833 CG2 THR A 53 2.250 8.478 3.527 1.00 1.16 C ATOM 0 H THR A 53 -0.330 11.199 3.042 1.00 0.62 H new ATOM 0 HA THR A 53 -0.139 8.481 4.092 1.00 0.57 H new ATOM 0 HB THR A 53 2.022 10.284 4.694 1.00 0.74 H new ATOM 0 HG1 THR A 53 2.097 11.406 2.871 1.00 1.38 H new ATOM 0 HG21 THR A 53 3.284 8.684 3.250 1.00 1.16 H new ATOM 0 HG22 THR A 53 2.231 7.828 4.402 1.00 1.16 H new ATOM 0 HG23 THR A 53 1.743 7.985 2.698 1.00 1.16 H new ATOM 841 N ALA A 54 -1.322 10.469 6.062 1.00 0.79 N ATOM 842 CA ALA A 54 -1.754 10.746 7.422 1.00 1.04 C ATOM 843 C ALA A 54 -1.882 9.439 8.199 1.00 1.00 C ATOM 844 O ALA A 54 -1.133 9.190 9.136 1.00 1.00 O ATOM 845 CB ALA A 54 -3.084 11.504 7.394 1.00 1.37 C ATOM 0 H ALA A 54 -1.949 10.858 5.358 1.00 0.79 H new ATOM 0 HA ALA A 54 -1.014 11.369 7.924 1.00 1.04 H new ATOM 0 HB1 ALA A 54 -3.406 11.711 8.414 1.00 1.37 H new ATOM 0 HB2 ALA A 54 -2.956 12.444 6.856 1.00 1.37 H new ATOM 0 HB3 ALA A 54 -3.838 10.898 6.891 1.00 1.37 H new ATOM 851 N HIS A 55 -2.786 8.564 7.758 1.00 1.02 N ATOM 852 CA HIS A 55 -3.112 7.343 8.491 1.00 1.03 C ATOM 853 C HIS A 55 -1.846 6.514 8.721 1.00 0.80 C ATOM 854 O HIS A 55 -1.618 5.956 9.792 1.00 0.94 O ATOM 855 CB HIS A 55 -4.186 6.556 7.722 1.00 1.18 C ATOM 856 CG HIS A 55 -5.269 7.440 7.152 1.00 1.56 C ATOM 857 ND1 HIS A 55 -5.528 7.644 5.811 1.00 1.87 N ATOM 858 CD2 HIS A 55 -5.966 8.386 7.857 1.00 1.76 C ATOM 859 CE1 HIS A 55 -6.368 8.688 5.726 1.00 2.17 C ATOM 860 NE2 HIS A 55 -6.672 9.167 6.942 1.00 2.12 N ATOM 0 H HIS A 55 -3.308 8.681 6.890 1.00 1.02 H new ATOM 0 HA HIS A 55 -3.517 7.594 9.471 1.00 1.03 H new ATOM 0 HB2 HIS A 55 -3.712 6.002 6.911 1.00 1.18 H new ATOM 0 HB3 HIS A 55 -4.638 5.821 8.389 1.00 1.18 H new ATOM 0 HD2 HIS A 55 -5.968 8.506 8.930 1.00 1.76 H new ATOM 0 HE1 HIS A 55 -6.750 9.090 4.799 1.00 2.17 H new ATOM 0 HE2 HIS A 55 -7.295 9.946 7.155 1.00 2.12 H new ATOM 868 N MET A 56 -1.002 6.467 7.693 1.00 0.56 N ATOM 869 CA MET A 56 0.247 5.740 7.681 1.00 0.52 C ATOM 870 C MET A 56 1.279 6.396 8.604 1.00 0.50 C ATOM 871 O MET A 56 2.023 5.680 9.265 1.00 0.52 O ATOM 872 CB MET A 56 0.736 5.600 6.236 1.00 0.58 C ATOM 873 CG MET A 56 -0.038 4.542 5.430 1.00 0.86 C ATOM 874 SD MET A 56 -1.840 4.665 5.273 1.00 2.03 S ATOM 875 CE MET A 56 -2.019 6.224 4.407 1.00 2.28 C ATOM 0 H MET A 56 -1.184 6.956 6.816 1.00 0.56 H new ATOM 0 HA MET A 56 0.093 4.737 8.078 1.00 0.52 H new ATOM 0 HB2 MET A 56 0.648 6.564 5.735 1.00 0.58 H new ATOM 0 HB3 MET A 56 1.794 5.339 6.242 1.00 0.58 H new ATOM 0 HG2 MET A 56 0.376 4.535 4.422 1.00 0.86 H new ATOM 0 HG3 MET A 56 0.184 3.571 5.872 1.00 0.86 H new ATOM 0 HE1 MET A 56 -2.809 6.137 3.661 1.00 2.28 H new ATOM 0 HE2 MET A 56 -2.277 7.008 5.119 1.00 2.28 H new ATOM 0 HE3 MET A 56 -1.080 6.476 3.914 1.00 2.28 H new ATOM 885 N THR A 57 1.334 7.730 8.701 1.00 0.56 N ATOM 886 CA THR A 57 2.230 8.395 9.643 1.00 0.66 C ATOM 887 C THR A 57 1.757 8.151 11.069 1.00 0.74 C ATOM 888 O THR A 57 2.551 7.766 11.928 1.00 0.82 O ATOM 889 CB THR A 57 2.382 9.899 9.368 1.00 0.80 C ATOM 890 OG1 THR A 57 1.191 10.542 8.992 1.00 2.05 O ATOM 891 CG2 THR A 57 3.408 10.136 8.271 1.00 1.52 C ATOM 0 H THR A 57 0.768 8.365 8.138 1.00 0.56 H new ATOM 0 HA THR A 57 3.220 7.959 9.508 1.00 0.66 H new ATOM 0 HB THR A 57 2.701 10.327 10.318 1.00 0.80 H new ATOM 0 HG1 THR A 57 0.424 10.034 9.330 1.00 2.05 H new ATOM 0 HG21 THR A 57 3.504 11.206 8.088 1.00 1.52 H new ATOM 0 HG22 THR A 57 4.372 9.733 8.581 1.00 1.52 H new ATOM 0 HG23 THR A 57 3.084 9.639 7.356 1.00 1.52 H new ATOM 899 N ASP A 58 0.458 8.340 11.309 1.00 0.78 N ATOM 900 CA ASP A 58 -0.159 8.010 12.581 1.00 0.95 C ATOM 901 C ASP A 58 0.229 6.585 12.973 1.00 0.83 C ATOM 902 O ASP A 58 0.689 6.340 14.089 1.00 0.92 O ATOM 903 CB ASP A 58 -1.681 8.182 12.505 1.00 1.15 C ATOM 904 CG ASP A 58 -2.115 9.641 12.558 1.00 2.39 C ATOM 905 OD1 ASP A 58 -1.680 10.325 13.512 1.00 2.69 O ATOM 906 OD2 ASP A 58 -2.890 10.037 11.662 1.00 3.92 O ATOM 0 H ASP A 58 -0.190 8.726 10.623 1.00 0.78 H new ATOM 0 HA ASP A 58 0.202 8.692 13.351 1.00 0.95 H new ATOM 0 HB2 ASP A 58 -2.047 7.732 11.582 1.00 1.15 H new ATOM 0 HB3 ASP A 58 -2.145 7.640 13.329 1.00 1.15 H new ATOM 911 N LEU A 59 0.094 5.647 12.032 1.00 0.68 N ATOM 912 CA LEU A 59 0.471 4.266 12.293 1.00 0.61 C ATOM 913 C LEU A 59 1.981 4.093 12.456 1.00 0.66 C ATOM 914 O LEU A 59 2.369 3.285 13.289 1.00 0.79 O ATOM 915 CB LEU A 59 -0.120 3.268 11.280 1.00 0.52 C ATOM 916 CG LEU A 59 -1.145 2.343 11.955 1.00 0.83 C ATOM 917 CD1 LEU A 59 -2.454 3.115 12.084 1.00 1.34 C ATOM 918 CD2 LEU A 59 -1.378 1.043 11.175 1.00 1.04 C ATOM 0 H LEU A 59 -0.270 5.821 11.095 1.00 0.68 H new ATOM 0 HA LEU A 59 0.018 4.019 13.253 1.00 0.61 H new ATOM 0 HB2 LEU A 59 -0.597 3.811 10.464 1.00 0.52 H new ATOM 0 HB3 LEU A 59 0.680 2.672 10.842 1.00 0.52 H new ATOM 0 HG LEU A 59 -0.757 2.049 12.930 1.00 0.83 H new ATOM 0 HD11 LEU A 59 -3.203 2.483 12.561 1.00 1.34 H new ATOM 0 HD12 LEU A 59 -2.292 4.007 12.690 1.00 1.34 H new ATOM 0 HD13 LEU A 59 -2.803 3.408 11.094 1.00 1.34 H new ATOM 0 HD21 LEU A 59 -2.111 0.430 11.700 1.00 1.04 H new ATOM 0 HD22 LEU A 59 -1.749 1.279 10.178 1.00 1.04 H new ATOM 0 HD23 LEU A 59 -0.439 0.495 11.093 1.00 1.04 H new ATOM 930 N GLN A 60 2.827 4.819 11.711 1.00 0.63 N ATOM 931 CA GLN A 60 4.291 4.729 11.769 1.00 0.68 C ATOM 932 C GLN A 60 4.755 4.718 13.223 1.00 0.70 C ATOM 933 O GLN A 60 5.603 3.919 13.624 1.00 0.72 O ATOM 934 CB GLN A 60 4.938 5.888 10.990 1.00 0.81 C ATOM 935 CG GLN A 60 6.405 5.638 10.605 1.00 0.92 C ATOM 936 CD GLN A 60 7.419 5.762 11.744 1.00 2.01 C ATOM 937 OE1 GLN A 60 7.184 6.432 12.745 1.00 3.35 O ATOM 938 NE2 GLN A 60 8.578 5.137 11.562 1.00 2.21 N ATOM 0 H GLN A 60 2.500 5.506 11.031 1.00 0.63 H new ATOM 0 HA GLN A 60 4.606 3.797 11.299 1.00 0.68 H new ATOM 0 HB2 GLN A 60 4.361 6.070 10.084 1.00 0.81 H new ATOM 0 HB3 GLN A 60 4.880 6.795 11.592 1.00 0.81 H new ATOM 0 HG2 GLN A 60 6.485 4.638 10.179 1.00 0.92 H new ATOM 0 HG3 GLN A 60 6.680 6.342 9.819 1.00 0.92 H new ATOM 0 HE21 GLN A 60 8.735 4.589 10.716 1.00 2.21 H new ATOM 0 HE22 GLN A 60 9.311 5.205 12.269 1.00 2.21 H new ATOM 947 N LYS A 61 4.152 5.605 14.014 1.00 0.74 N ATOM 948 CA LYS A 61 4.432 5.729 15.427 1.00 0.79 C ATOM 949 C LYS A 61 4.252 4.392 16.148 1.00 0.73 C ATOM 950 O LYS A 61 5.170 3.925 16.817 1.00 0.82 O ATOM 951 CB LYS A 61 3.554 6.836 16.004 1.00 0.88 C ATOM 952 CG LYS A 61 3.956 7.193 17.440 1.00 0.86 C ATOM 953 CD LYS A 61 3.313 8.523 17.867 1.00 0.94 C ATOM 954 CE LYS A 61 4.002 9.745 17.231 1.00 2.23 C ATOM 955 NZ LYS A 61 3.241 10.991 17.452 1.00 2.72 N ATOM 0 H LYS A 61 3.448 6.262 13.678 1.00 0.74 H new ATOM 0 HA LYS A 61 5.476 6.005 15.578 1.00 0.79 H new ATOM 0 HB2 LYS A 61 3.628 7.723 15.375 1.00 0.88 H new ATOM 0 HB3 LYS A 61 2.511 6.519 15.987 1.00 0.88 H new ATOM 0 HG2 LYS A 61 3.646 6.398 18.119 1.00 0.86 H new ATOM 0 HG3 LYS A 61 5.041 7.268 17.512 1.00 0.86 H new ATOM 0 HD2 LYS A 61 2.259 8.519 17.588 1.00 0.94 H new ATOM 0 HD3 LYS A 61 3.355 8.611 18.953 1.00 0.94 H new ATOM 0 HE2 LYS A 61 5.003 9.854 17.648 1.00 2.23 H new ATOM 0 HE3 LYS A 61 4.119 9.578 16.160 1.00 2.23 H new ATOM 0 HZ1 LYS A 61 3.741 11.787 17.007 1.00 2.72 H new ATOM 0 HZ2 LYS A 61 2.294 10.899 17.032 1.00 2.72 H new ATOM 0 HZ3 LYS A 61 3.151 11.166 18.473 1.00 2.72 H new ATOM 969 N LYS A 62 3.076 3.768 16.019 1.00 0.65 N ATOM 970 CA LYS A 62 2.813 2.472 16.607 1.00 0.62 C ATOM 971 C LYS A 62 3.708 1.405 15.984 1.00 0.54 C ATOM 972 O LYS A 62 4.215 0.550 16.696 1.00 0.58 O ATOM 973 CB LYS A 62 1.335 2.165 16.397 1.00 0.72 C ATOM 974 CG LYS A 62 0.970 0.785 16.936 1.00 1.61 C ATOM 975 CD LYS A 62 -0.545 0.650 16.849 1.00 2.40 C ATOM 976 CE LYS A 62 -0.920 -0.787 17.238 1.00 3.34 C ATOM 977 NZ LYS A 62 -2.374 -0.987 17.359 1.00 4.50 N ATOM 0 H LYS A 62 2.287 4.156 15.502 1.00 0.65 H new ATOM 0 HA LYS A 62 3.039 2.478 17.673 1.00 0.62 H new ATOM 0 HB2 LYS A 62 0.730 2.923 16.895 1.00 0.72 H new ATOM 0 HB3 LYS A 62 1.099 2.216 15.334 1.00 0.72 H new ATOM 0 HG2 LYS A 62 1.459 0.004 16.354 1.00 1.61 H new ATOM 0 HG3 LYS A 62 1.307 0.674 17.967 1.00 1.61 H new ATOM 0 HD2 LYS A 62 -1.029 1.363 17.516 1.00 2.40 H new ATOM 0 HD3 LYS A 62 -0.889 0.873 15.839 1.00 2.40 H new ATOM 0 HE2 LYS A 62 -0.525 -1.475 16.491 1.00 3.34 H new ATOM 0 HE3 LYS A 62 -0.444 -1.038 18.186 1.00 3.34 H new ATOM 0 HZ1 LYS A 62 -2.568 -1.974 17.623 1.00 4.50 H new ATOM 0 HZ2 LYS A 62 -2.752 -0.352 18.091 1.00 4.50 H new ATOM 0 HZ3 LYS A 62 -2.830 -0.776 16.449 1.00 4.50 H new ATOM 991 N LEU A 63 3.902 1.458 14.666 1.00 0.51 N ATOM 992 CA LEU A 63 4.726 0.550 13.878 1.00 0.47 C ATOM 993 C LEU A 63 6.058 0.272 14.567 1.00 0.52 C ATOM 994 O LEU A 63 6.512 -0.863 14.577 1.00 0.55 O ATOM 995 CB LEU A 63 4.962 1.131 12.484 1.00 0.60 C ATOM 996 CG LEU A 63 4.436 0.277 11.329 1.00 0.98 C ATOM 997 CD1 LEU A 63 5.174 -1.053 11.184 1.00 1.18 C ATOM 998 CD2 LEU A 63 2.917 0.078 11.387 1.00 1.27 C ATOM 0 H LEU A 63 3.463 2.177 14.091 1.00 0.51 H new ATOM 0 HA LEU A 63 4.193 -0.396 13.785 1.00 0.47 H new ATOM 0 HB2 LEU A 63 4.493 2.113 12.432 1.00 0.60 H new ATOM 0 HB3 LEU A 63 6.033 1.281 12.346 1.00 0.60 H new ATOM 0 HG LEU A 63 4.648 0.849 10.426 1.00 0.98 H new ATOM 0 HD11 LEU A 63 4.755 -1.613 10.348 1.00 1.18 H new ATOM 0 HD12 LEU A 63 6.232 -0.864 11.000 1.00 1.18 H new ATOM 0 HD13 LEU A 63 5.063 -1.633 12.100 1.00 1.18 H new ATOM 0 HD21 LEU A 63 2.598 -0.535 10.544 1.00 1.27 H new ATOM 0 HD22 LEU A 63 2.651 -0.420 12.319 1.00 1.27 H new ATOM 0 HD23 LEU A 63 2.421 1.047 11.339 1.00 1.27 H new ATOM 1010 N LYS A 64 6.673 1.293 15.171 1.00 0.63 N ATOM 1011 CA LYS A 64 7.896 1.137 15.956 1.00 0.78 C ATOM 1012 C LYS A 64 7.816 -0.063 16.920 1.00 0.80 C ATOM 1013 O LYS A 64 8.790 -0.790 17.083 1.00 0.93 O ATOM 1014 CB LYS A 64 8.167 2.431 16.741 1.00 0.93 C ATOM 1015 CG LYS A 64 8.319 3.681 15.855 1.00 1.81 C ATOM 1016 CD LYS A 64 9.776 4.092 15.609 1.00 1.60 C ATOM 1017 CE LYS A 64 10.580 3.009 14.877 1.00 1.63 C ATOM 1018 NZ LYS A 64 11.888 3.524 14.425 1.00 2.25 N ATOM 0 H LYS A 64 6.333 2.254 15.128 1.00 0.63 H new ATOM 0 HA LYS A 64 8.717 0.941 15.266 1.00 0.78 H new ATOM 0 HB2 LYS A 64 7.351 2.594 17.445 1.00 0.93 H new ATOM 0 HB3 LYS A 64 9.075 2.303 17.330 1.00 0.93 H new ATOM 0 HG2 LYS A 64 7.837 3.495 14.895 1.00 1.81 H new ATOM 0 HG3 LYS A 64 7.791 4.512 16.322 1.00 1.81 H new ATOM 0 HD2 LYS A 64 9.796 5.012 15.024 1.00 1.60 H new ATOM 0 HD3 LYS A 64 10.254 4.311 16.564 1.00 1.60 H new ATOM 0 HE2 LYS A 64 10.732 2.156 15.539 1.00 1.63 H new ATOM 0 HE3 LYS A 64 10.012 2.649 14.019 1.00 1.63 H new ATOM 0 HZ1 LYS A 64 12.379 2.790 13.875 1.00 2.25 H new ATOM 0 HZ2 LYS A 64 11.743 4.364 13.829 1.00 2.25 H new ATOM 0 HZ3 LYS A 64 12.464 3.781 15.252 1.00 2.25 H new ATOM 1032 N ALA A 65 6.664 -0.240 17.570 1.00 0.76 N ATOM 1033 CA ALA A 65 6.355 -1.343 18.478 1.00 0.84 C ATOM 1034 C ALA A 65 6.072 -2.673 17.763 1.00 0.78 C ATOM 1035 O ALA A 65 6.296 -3.738 18.332 1.00 0.88 O ATOM 1036 CB ALA A 65 5.166 -0.955 19.365 1.00 0.90 C ATOM 0 H ALA A 65 5.886 0.413 17.472 1.00 0.76 H new ATOM 0 HA ALA A 65 7.246 -1.512 19.083 1.00 0.84 H new ATOM 0 HB1 ALA A 65 4.934 -1.777 20.043 1.00 0.90 H new ATOM 0 HB2 ALA A 65 5.419 -0.067 19.944 1.00 0.90 H new ATOM 0 HB3 ALA A 65 4.298 -0.745 18.739 1.00 0.90 H new ATOM 1042 N GLU A 66 5.537 -2.606 16.542 1.00 0.66 N ATOM 1043 CA GLU A 66 5.114 -3.743 15.737 1.00 0.61 C ATOM 1044 C GLU A 66 6.303 -4.245 14.909 1.00 0.55 C ATOM 1045 O GLU A 66 6.267 -5.356 14.394 1.00 0.54 O ATOM 1046 CB GLU A 66 3.944 -3.344 14.815 1.00 0.61 C ATOM 1047 CG GLU A 66 2.850 -2.475 15.459 1.00 0.77 C ATOM 1048 CD GLU A 66 2.089 -3.139 16.600 1.00 0.81 C ATOM 1049 OE1 GLU A 66 1.957 -4.379 16.568 1.00 1.82 O ATOM 1050 OE2 GLU A 66 1.584 -2.373 17.452 1.00 1.98 O ATOM 0 H GLU A 66 5.382 -1.715 16.070 1.00 0.66 H new ATOM 0 HA GLU A 66 4.769 -4.542 16.393 1.00 0.61 H new ATOM 0 HB2 GLU A 66 4.349 -2.808 13.957 1.00 0.61 H new ATOM 0 HB3 GLU A 66 3.481 -4.254 14.433 1.00 0.61 H new ATOM 0 HG2 GLU A 66 3.308 -1.559 15.832 1.00 0.77 H new ATOM 0 HG3 GLU A 66 2.137 -2.184 14.688 1.00 0.77 H new ATOM 1057 N ASN A 67 7.327 -3.391 14.767 1.00 0.60 N ATOM 1058 CA ASN A 67 8.512 -3.468 13.932 1.00 0.56 C ATOM 1059 C ASN A 67 8.974 -4.873 13.595 1.00 0.91 C ATOM 1060 O ASN A 67 9.253 -5.113 12.431 1.00 1.69 O ATOM 1061 CB ASN A 67 9.660 -2.660 14.554 1.00 0.71 C ATOM 1062 CG ASN A 67 10.239 -3.277 15.830 1.00 2.39 C ATOM 1063 OD1 ASN A 67 9.531 -3.899 16.616 1.00 4.00 O ATOM 1064 ND2 ASN A 67 11.545 -3.140 16.038 1.00 3.27 N ATOM 0 H ASN A 67 7.334 -2.526 15.307 1.00 0.60 H new ATOM 0 HA ASN A 67 8.215 -3.032 12.978 1.00 0.56 H new ATOM 0 HB2 ASN A 67 10.458 -2.557 13.819 1.00 0.71 H new ATOM 0 HB3 ASN A 67 9.303 -1.655 14.779 1.00 0.71 H new ATOM 0 HD21 ASN A 67 11.976 -3.556 16.863 1.00 3.27 H new ATOM 0 HD22 ASN A 67 12.116 -2.619 15.372 1.00 3.27 H new ATOM 1071 N ILE A 68 9.087 -5.734 14.609 1.00 0.72 N ATOM 1072 CA ILE A 68 9.734 -7.059 14.590 1.00 0.83 C ATOM 1073 C ILE A 68 10.518 -7.309 13.277 1.00 0.84 C ATOM 1074 O ILE A 68 11.678 -6.901 13.215 1.00 0.93 O ATOM 1075 CB ILE A 68 8.767 -8.173 15.054 1.00 0.90 C ATOM 1076 CG1 ILE A 68 8.366 -8.038 16.543 1.00 0.98 C ATOM 1077 CG2 ILE A 68 9.420 -9.561 14.921 1.00 0.96 C ATOM 1078 CD1 ILE A 68 7.270 -7.014 16.858 1.00 1.08 C ATOM 0 H ILE A 68 8.705 -5.515 15.529 1.00 0.72 H new ATOM 0 HA ILE A 68 10.521 -7.083 15.344 1.00 0.83 H new ATOM 0 HB ILE A 68 7.890 -8.069 14.415 1.00 0.90 H new ATOM 0 HG12 ILE A 68 8.036 -9.014 16.899 1.00 0.98 H new ATOM 0 HG13 ILE A 68 9.256 -7.775 17.115 1.00 0.98 H new ATOM 0 HG21 ILE A 68 8.719 -10.326 15.254 1.00 0.96 H new ATOM 0 HG22 ILE A 68 9.685 -9.740 13.879 1.00 0.96 H new ATOM 0 HG23 ILE A 68 10.319 -9.601 15.536 1.00 0.96 H new ATOM 0 HD11 ILE A 68 7.074 -7.009 17.930 1.00 1.08 H new ATOM 0 HD12 ILE A 68 7.597 -6.023 16.544 1.00 1.08 H new ATOM 0 HD13 ILE A 68 6.358 -7.281 16.324 1.00 1.08 H new ATOM 1090 N ASP A 69 9.910 -7.872 12.219 1.00 0.83 N ATOM 1091 CA ASP A 69 10.212 -7.462 10.842 1.00 0.85 C ATOM 1092 C ASP A 69 8.933 -7.368 10.010 1.00 0.80 C ATOM 1093 O ASP A 69 8.838 -7.862 8.885 1.00 1.07 O ATOM 1094 CB ASP A 69 11.283 -8.305 10.165 1.00 1.05 C ATOM 1095 CG ASP A 69 11.712 -7.694 8.823 1.00 1.16 C ATOM 1096 OD1 ASP A 69 11.676 -6.455 8.663 1.00 1.87 O ATOM 1097 OD2 ASP A 69 12.058 -8.453 7.892 1.00 2.01 O ATOM 0 H ASP A 69 9.209 -8.609 12.293 1.00 0.83 H new ATOM 0 HA ASP A 69 10.649 -6.466 10.908 1.00 0.85 H new ATOM 0 HB2 ASP A 69 12.149 -8.391 10.821 1.00 1.05 H new ATOM 0 HB3 ASP A 69 10.905 -9.314 10.003 1.00 1.05 H new ATOM 1102 N VAL A 70 7.960 -6.648 10.556 1.00 0.59 N ATOM 1103 CA VAL A 70 6.950 -6.015 9.739 1.00 0.50 C ATOM 1104 C VAL A 70 7.643 -4.778 9.179 1.00 0.49 C ATOM 1105 O VAL A 70 8.265 -4.030 9.930 1.00 0.52 O ATOM 1106 CB VAL A 70 5.691 -5.653 10.556 1.00 0.55 C ATOM 1107 CG1 VAL A 70 5.198 -6.846 11.374 1.00 0.72 C ATOM 1108 CG2 VAL A 70 5.859 -4.445 11.476 1.00 0.57 C ATOM 0 H VAL A 70 7.855 -6.492 11.559 1.00 0.59 H new ATOM 0 HA VAL A 70 6.584 -6.673 8.951 1.00 0.50 H new ATOM 0 HB VAL A 70 4.949 -5.377 9.807 1.00 0.55 H new ATOM 0 HG11 VAL A 70 4.311 -6.559 11.938 1.00 0.72 H new ATOM 0 HG12 VAL A 70 4.951 -7.670 10.704 1.00 0.72 H new ATOM 0 HG13 VAL A 70 5.980 -7.162 12.064 1.00 0.72 H new ATOM 0 HG21 VAL A 70 4.927 -4.263 12.011 1.00 0.57 H new ATOM 0 HG22 VAL A 70 6.656 -4.642 12.193 1.00 0.57 H new ATOM 0 HG23 VAL A 70 6.114 -3.568 10.882 1.00 0.57 H new ATOM 1118 N ARG A 71 7.547 -4.538 7.878 1.00 0.61 N ATOM 1119 CA ARG A 71 7.848 -3.235 7.317 1.00 0.54 C ATOM 1120 C ARG A 71 6.572 -2.792 6.648 1.00 0.58 C ATOM 1121 O ARG A 71 5.878 -3.603 6.036 1.00 0.90 O ATOM 1122 CB ARG A 71 9.035 -3.305 6.353 1.00 0.67 C ATOM 1123 CG ARG A 71 10.301 -2.997 7.162 1.00 0.65 C ATOM 1124 CD ARG A 71 11.581 -3.443 6.465 1.00 0.66 C ATOM 1125 NE ARG A 71 11.644 -4.909 6.471 1.00 0.69 N ATOM 1126 CZ ARG A 71 11.454 -5.734 5.434 1.00 0.60 C ATOM 1127 NH1 ARG A 71 11.224 -5.254 4.198 1.00 0.62 N ATOM 1128 NH2 ARG A 71 11.493 -7.054 5.665 1.00 0.76 N ATOM 0 H ARG A 71 7.261 -5.236 7.191 1.00 0.61 H new ATOM 0 HA ARG A 71 8.156 -2.516 8.076 1.00 0.54 H new ATOM 0 HB2 ARG A 71 9.102 -4.293 5.897 1.00 0.67 H new ATOM 0 HB3 ARG A 71 8.914 -2.587 5.542 1.00 0.67 H new ATOM 0 HG2 ARG A 71 10.352 -1.925 7.351 1.00 0.65 H new ATOM 0 HG3 ARG A 71 10.233 -3.488 8.133 1.00 0.65 H new ATOM 0 HD2 ARG A 71 11.601 -3.070 5.441 1.00 0.66 H new ATOM 0 HD3 ARG A 71 12.451 -3.027 6.973 1.00 0.66 H new ATOM 0 HE ARG A 71 11.857 -5.349 7.366 1.00 0.69 H new ATOM 0 HH11 ARG A 71 11.192 -4.247 4.040 1.00 0.62 H new ATOM 0 HH12 ARG A 71 11.081 -5.897 3.419 1.00 0.62 H new ATOM 0 HH21 ARG A 71 11.663 -7.402 6.609 1.00 0.76 H new ATOM 0 HH22 ARG A 71 11.352 -7.710 4.897 1.00 0.76 H new ATOM 1142 N ILE A 72 6.236 -1.519 6.816 1.00 0.36 N ATOM 1143 CA ILE A 72 5.045 -0.983 6.199 1.00 0.33 C ATOM 1144 C ILE A 72 5.413 -0.741 4.732 1.00 0.29 C ATOM 1145 O ILE A 72 6.155 0.193 4.417 1.00 0.34 O ATOM 1146 CB ILE A 72 4.553 0.255 6.974 1.00 0.36 C ATOM 1147 CG1 ILE A 72 3.298 0.833 6.310 1.00 0.44 C ATOM 1148 CG2 ILE A 72 5.598 1.362 7.177 1.00 0.41 C ATOM 1149 CD1 ILE A 72 2.815 2.042 7.100 1.00 1.40 C ATOM 0 H ILE A 72 6.770 -0.850 7.370 1.00 0.36 H new ATOM 0 HA ILE A 72 4.191 -1.659 6.231 1.00 0.33 H new ATOM 0 HB ILE A 72 4.328 -0.112 7.975 1.00 0.36 H new ATOM 0 HG12 ILE A 72 3.518 1.121 5.282 1.00 0.44 H new ATOM 0 HG13 ILE A 72 2.515 0.076 6.268 1.00 0.44 H new ATOM 0 HG21 ILE A 72 5.151 2.187 7.732 1.00 0.41 H new ATOM 0 HG22 ILE A 72 6.445 0.965 7.736 1.00 0.41 H new ATOM 0 HG23 ILE A 72 5.940 1.722 6.207 1.00 0.41 H new ATOM 0 HD11 ILE A 72 1.923 2.453 6.627 1.00 1.40 H new ATOM 0 HD12 ILE A 72 2.579 1.739 8.120 1.00 1.40 H new ATOM 0 HD13 ILE A 72 3.597 2.801 7.119 1.00 1.40 H new ATOM 1161 N ILE A 73 4.992 -1.635 3.835 1.00 0.33 N ATOM 1162 CA ILE A 73 5.247 -1.455 2.423 1.00 0.31 C ATOM 1163 C ILE A 73 4.220 -0.468 1.900 1.00 0.34 C ATOM 1164 O ILE A 73 3.088 -0.427 2.375 1.00 0.48 O ATOM 1165 CB ILE A 73 5.196 -2.815 1.707 1.00 0.32 C ATOM 1166 CG1 ILE A 73 6.585 -3.460 1.622 1.00 0.37 C ATOM 1167 CG2 ILE A 73 4.590 -2.744 0.297 1.00 0.38 C ATOM 1168 CD1 ILE A 73 7.161 -3.804 2.997 1.00 0.44 C ATOM 0 H ILE A 73 4.476 -2.483 4.069 1.00 0.33 H new ATOM 0 HA ILE A 73 6.243 -1.052 2.236 1.00 0.31 H new ATOM 0 HB ILE A 73 4.538 -3.431 2.320 1.00 0.32 H new ATOM 0 HG12 ILE A 73 6.524 -4.367 1.021 1.00 0.37 H new ATOM 0 HG13 ILE A 73 7.265 -2.782 1.107 1.00 0.37 H new ATOM 0 HG21 ILE A 73 4.586 -3.739 -0.148 1.00 0.38 H new ATOM 0 HG22 ILE A 73 3.568 -2.370 0.359 1.00 0.38 H new ATOM 0 HG23 ILE A 73 5.185 -2.073 -0.322 1.00 0.38 H new ATOM 0 HD11 ILE A 73 8.145 -4.258 2.876 1.00 0.44 H new ATOM 0 HD12 ILE A 73 7.251 -2.895 3.592 1.00 0.44 H new ATOM 0 HD13 ILE A 73 6.498 -4.505 3.504 1.00 0.44 H new ATOM 1180 N SER A 74 4.600 0.323 0.904 1.00 0.37 N ATOM 1181 CA SER A 74 3.674 1.249 0.292 1.00 0.41 C ATOM 1182 C SER A 74 3.990 1.309 -1.199 1.00 0.44 C ATOM 1183 O SER A 74 4.985 1.919 -1.583 1.00 0.47 O ATOM 1184 CB SER A 74 3.828 2.590 1.010 1.00 0.49 C ATOM 1185 OG SER A 74 2.877 3.542 0.576 1.00 1.39 O ATOM 0 H SER A 74 5.540 0.337 0.509 1.00 0.37 H new ATOM 0 HA SER A 74 2.631 0.946 0.385 1.00 0.41 H new ATOM 0 HB2 SER A 74 3.723 2.439 2.084 1.00 0.49 H new ATOM 0 HB3 SER A 74 4.832 2.978 0.839 1.00 0.49 H new ATOM 0 HG SER A 74 3.275 4.437 0.603 1.00 1.39 H new ATOM 1191 N PHE A 75 3.223 0.622 -2.050 1.00 0.59 N ATOM 1192 CA PHE A 75 3.566 0.612 -3.470 1.00 0.68 C ATOM 1193 C PHE A 75 3.073 1.891 -4.137 1.00 0.59 C ATOM 1194 O PHE A 75 1.993 2.386 -3.821 1.00 0.60 O ATOM 1195 CB PHE A 75 3.103 -0.659 -4.182 1.00 0.95 C ATOM 1196 CG PHE A 75 1.614 -0.938 -4.194 1.00 0.74 C ATOM 1197 CD1 PHE A 75 0.820 -0.439 -5.245 1.00 1.81 C ATOM 1198 CD2 PHE A 75 1.094 -1.924 -3.335 1.00 1.80 C ATOM 1199 CE1 PHE A 75 -0.444 -0.998 -5.500 1.00 1.89 C ATOM 1200 CE2 PHE A 75 -0.150 -2.510 -3.615 1.00 1.87 C ATOM 1201 CZ PHE A 75 -0.910 -2.063 -4.709 1.00 1.07 C ATOM 0 H PHE A 75 2.394 0.086 -1.793 1.00 0.59 H new ATOM 0 HA PHE A 75 4.652 0.594 -3.557 1.00 0.68 H new ATOM 0 HB2 PHE A 75 3.447 -0.613 -5.215 1.00 0.95 H new ATOM 0 HB3 PHE A 75 3.603 -1.509 -3.717 1.00 0.95 H new ATOM 0 HD1 PHE A 75 1.183 0.374 -5.856 1.00 1.81 H new ATOM 0 HD2 PHE A 75 1.651 -2.229 -2.462 1.00 1.80 H new ATOM 0 HE1 PHE A 75 -1.056 -0.611 -6.301 1.00 1.89 H new ATOM 0 HE2 PHE A 75 -0.524 -3.306 -2.988 1.00 1.87 H new ATOM 0 HZ PHE A 75 -1.852 -2.537 -4.942 1.00 1.07 H new ATOM 1211 N SER A 76 3.849 2.446 -5.065 1.00 0.60 N ATOM 1212 CA SER A 76 3.473 3.706 -5.661 1.00 0.67 C ATOM 1213 C SER A 76 2.341 3.466 -6.649 1.00 0.66 C ATOM 1214 O SER A 76 2.378 2.571 -7.493 1.00 0.68 O ATOM 1215 CB SER A 76 4.679 4.360 -6.327 1.00 0.87 C ATOM 1216 OG SER A 76 5.401 3.433 -7.103 1.00 1.80 O ATOM 0 H SER A 76 4.722 2.046 -5.409 1.00 0.60 H new ATOM 0 HA SER A 76 3.122 4.394 -4.892 1.00 0.67 H new ATOM 0 HB2 SER A 76 4.346 5.184 -6.958 1.00 0.87 H new ATOM 0 HB3 SER A 76 5.332 4.786 -5.565 1.00 0.87 H new ATOM 0 HG SER A 76 4.776 2.877 -7.614 1.00 1.80 H new ATOM 1222 N VAL A 77 1.307 4.284 -6.525 1.00 0.86 N ATOM 1223 CA VAL A 77 0.187 4.271 -7.430 1.00 0.87 C ATOM 1224 C VAL A 77 0.647 5.023 -8.669 1.00 0.78 C ATOM 1225 O VAL A 77 0.544 6.244 -8.739 1.00 0.86 O ATOM 1226 CB VAL A 77 -1.012 4.903 -6.726 1.00 0.93 C ATOM 1227 CG1 VAL A 77 -2.234 5.028 -7.645 1.00 1.04 C ATOM 1228 CG2 VAL A 77 -1.399 4.017 -5.545 1.00 1.02 C ATOM 0 H VAL A 77 1.229 4.980 -5.783 1.00 0.86 H new ATOM 0 HA VAL A 77 -0.134 3.273 -7.729 1.00 0.87 H new ATOM 0 HB VAL A 77 -0.721 5.905 -6.412 1.00 0.93 H new ATOM 0 HG11 VAL A 77 -3.058 5.483 -7.095 1.00 1.04 H new ATOM 0 HG12 VAL A 77 -1.982 5.652 -8.503 1.00 1.04 H new ATOM 0 HG13 VAL A 77 -2.532 4.038 -7.991 1.00 1.04 H new ATOM 0 HG21 VAL A 77 -2.255 4.452 -5.029 1.00 1.02 H new ATOM 0 HG22 VAL A 77 -1.661 3.023 -5.907 1.00 1.02 H new ATOM 0 HG23 VAL A 77 -0.558 3.943 -4.855 1.00 1.02 H new ATOM 1238 N ASP A 78 1.187 4.246 -9.607 1.00 0.90 N ATOM 1239 CA ASP A 78 1.664 4.655 -10.914 1.00 0.89 C ATOM 1240 C ASP A 78 3.081 5.216 -10.827 1.00 0.83 C ATOM 1241 O ASP A 78 3.266 6.425 -10.897 1.00 0.96 O ATOM 1242 CB ASP A 78 0.724 5.647 -11.614 1.00 0.99 C ATOM 1243 CG ASP A 78 1.069 5.712 -13.091 1.00 1.13 C ATOM 1244 OD1 ASP A 78 2.172 5.237 -13.442 1.00 2.00 O ATOM 1245 OD2 ASP A 78 0.244 6.225 -13.872 1.00 1.89 O ATOM 0 H ASP A 78 1.308 3.245 -9.456 1.00 0.90 H new ATOM 0 HA ASP A 78 1.680 3.757 -11.531 1.00 0.89 H new ATOM 0 HB2 ASP A 78 -0.313 5.336 -11.485 1.00 0.99 H new ATOM 0 HB3 ASP A 78 0.819 6.635 -11.163 1.00 0.99 H new ATOM 1250 N PRO A 79 4.112 4.372 -10.708 1.00 0.75 N ATOM 1251 CA PRO A 79 5.477 4.855 -10.770 1.00 0.75 C ATOM 1252 C PRO A 79 5.790 5.474 -12.135 1.00 0.74 C ATOM 1253 O PRO A 79 6.552 6.439 -12.189 1.00 1.00 O ATOM 1254 CB PRO A 79 6.361 3.634 -10.504 1.00 0.79 C ATOM 1255 CG PRO A 79 5.476 2.478 -10.966 1.00 0.77 C ATOM 1256 CD PRO A 79 4.076 2.926 -10.569 1.00 0.75 C ATOM 0 HA PRO A 79 5.651 5.643 -10.038 1.00 0.75 H new ATOM 0 HB2 PRO A 79 7.295 3.679 -11.064 1.00 0.79 H new ATOM 0 HB3 PRO A 79 6.626 3.546 -9.450 1.00 0.79 H new ATOM 0 HG2 PRO A 79 5.556 2.315 -12.041 1.00 0.77 H new ATOM 0 HG3 PRO A 79 5.751 1.542 -10.480 1.00 0.77 H new ATOM 0 HD2 PRO A 79 3.318 2.483 -11.215 1.00 0.75 H new ATOM 0 HD3 PRO A 79 3.838 2.630 -9.547 1.00 0.75 H new ATOM 1264 N GLU A 80 5.217 4.948 -13.230 1.00 0.71 N ATOM 1265 CA GLU A 80 5.413 5.478 -14.567 1.00 0.76 C ATOM 1266 C GLU A 80 5.143 6.983 -14.532 1.00 0.93 C ATOM 1267 O GLU A 80 5.970 7.777 -14.981 1.00 1.15 O ATOM 1268 CB GLU A 80 4.468 4.755 -15.540 1.00 0.90 C ATOM 1269 CG GLU A 80 4.708 5.146 -16.991 1.00 1.51 C ATOM 1270 CD GLU A 80 3.512 4.798 -17.866 1.00 1.92 C ATOM 1271 OE1 GLU A 80 3.453 3.654 -18.371 1.00 2.34 O ATOM 1272 OE2 GLU A 80 2.610 5.655 -18.037 1.00 2.88 O ATOM 0 H GLU A 80 4.601 4.136 -13.200 1.00 0.71 H new ATOM 0 HA GLU A 80 6.435 5.314 -14.910 1.00 0.76 H new ATOM 0 HB2 GLU A 80 4.597 3.678 -15.432 1.00 0.90 H new ATOM 0 HB3 GLU A 80 3.436 4.981 -15.273 1.00 0.90 H new ATOM 0 HG2 GLU A 80 4.907 6.216 -17.053 1.00 1.51 H new ATOM 0 HG3 GLU A 80 5.595 4.635 -17.365 1.00 1.51 H new ATOM 1279 N ASN A 81 3.998 7.362 -13.958 1.00 1.09 N ATOM 1280 CA ASN A 81 3.587 8.759 -13.859 1.00 1.44 C ATOM 1281 C ASN A 81 3.772 9.314 -12.442 1.00 1.73 C ATOM 1282 O ASN A 81 3.153 10.320 -12.101 1.00 3.03 O ATOM 1283 CB ASN A 81 2.163 8.928 -14.412 1.00 1.72 C ATOM 1284 CG ASN A 81 2.098 8.387 -15.842 1.00 1.96 C ATOM 1285 OD1 ASN A 81 2.546 9.053 -16.772 1.00 2.79 O ATOM 1286 ND2 ASN A 81 1.600 7.169 -16.027 1.00 2.62 N ATOM 0 H ASN A 81 3.332 6.706 -13.550 1.00 1.09 H new ATOM 0 HA ASN A 81 4.244 9.367 -14.481 1.00 1.44 H new ATOM 0 HB2 ASN A 81 1.451 8.397 -13.779 1.00 1.72 H new ATOM 0 HB3 ASN A 81 1.879 9.980 -14.398 1.00 1.72 H new ATOM 0 HD21 ASN A 81 1.582 6.762 -16.962 1.00 2.62 H new ATOM 0 HD22 ASN A 81 1.235 6.641 -15.234 1.00 2.62 H new ATOM 1293 N ASP A 82 4.675 8.723 -11.646 1.00 1.01 N ATOM 1294 CA ASP A 82 5.101 9.237 -10.348 1.00 1.04 C ATOM 1295 C ASP A 82 6.533 8.766 -10.096 1.00 1.07 C ATOM 1296 O ASP A 82 6.796 7.796 -9.385 1.00 2.40 O ATOM 1297 CB ASP A 82 4.154 8.834 -9.202 1.00 1.10 C ATOM 1298 CG ASP A 82 4.036 9.948 -8.168 1.00 1.65 C ATOM 1299 OD1 ASP A 82 5.099 10.517 -7.834 1.00 2.67 O ATOM 1300 OD2 ASP A 82 2.897 10.233 -7.726 1.00 2.41 O ATOM 0 H ASP A 82 5.138 7.851 -11.900 1.00 1.01 H new ATOM 0 HA ASP A 82 5.065 10.326 -10.371 1.00 1.04 H new ATOM 0 HB2 ASP A 82 3.168 8.603 -9.605 1.00 1.10 H new ATOM 0 HB3 ASP A 82 4.523 7.927 -8.723 1.00 1.10 H new ATOM 1305 N LYS A 83 7.481 9.446 -10.740 1.00 1.17 N ATOM 1306 CA LYS A 83 8.906 9.191 -10.587 1.00 1.43 C ATOM 1307 C LYS A 83 9.283 9.045 -9.096 1.00 1.13 C ATOM 1308 O LYS A 83 8.854 9.859 -8.279 1.00 0.99 O ATOM 1309 CB LYS A 83 9.688 10.296 -11.313 1.00 1.94 C ATOM 1310 CG LYS A 83 9.382 11.665 -10.701 1.00 4.04 C ATOM 1311 CD LYS A 83 9.406 12.811 -11.721 1.00 4.64 C ATOM 1312 CE LYS A 83 8.849 14.067 -11.034 1.00 6.34 C ATOM 1313 NZ LYS A 83 8.670 15.214 -11.944 1.00 7.33 N ATOM 0 H LYS A 83 7.273 10.202 -11.393 1.00 1.17 H new ATOM 0 HA LYS A 83 9.174 8.240 -11.047 1.00 1.43 H new ATOM 0 HB2 LYS A 83 10.757 10.094 -11.249 1.00 1.94 H new ATOM 0 HB3 LYS A 83 9.427 10.298 -12.371 1.00 1.94 H new ATOM 0 HG2 LYS A 83 8.401 11.631 -10.227 1.00 4.04 H new ATOM 0 HG3 LYS A 83 10.108 11.873 -9.915 1.00 4.04 H new ATOM 0 HD2 LYS A 83 10.423 12.988 -12.072 1.00 4.64 H new ATOM 0 HD3 LYS A 83 8.806 12.556 -12.595 1.00 4.64 H new ATOM 0 HE2 LYS A 83 7.890 13.825 -10.577 1.00 6.34 H new ATOM 0 HE3 LYS A 83 9.522 14.357 -10.227 1.00 6.34 H new ATOM 0 HZ1 LYS A 83 8.292 16.024 -11.412 1.00 7.33 H new ATOM 0 HZ2 LYS A 83 9.587 15.472 -12.362 1.00 7.33 H new ATOM 0 HZ3 LYS A 83 8.005 14.956 -12.701 1.00 7.33 H new ATOM 1327 N PRO A 84 10.098 8.044 -8.718 1.00 1.12 N ATOM 1328 CA PRO A 84 10.349 7.677 -7.324 1.00 0.90 C ATOM 1329 C PRO A 84 10.828 8.843 -6.451 1.00 0.67 C ATOM 1330 O PRO A 84 10.569 8.885 -5.250 1.00 0.54 O ATOM 1331 CB PRO A 84 11.367 6.529 -7.370 1.00 1.10 C ATOM 1332 CG PRO A 84 11.981 6.616 -8.768 1.00 1.34 C ATOM 1333 CD PRO A 84 10.833 7.167 -9.611 1.00 1.45 C ATOM 0 HA PRO A 84 9.418 7.372 -6.846 1.00 0.90 H new ATOM 0 HB2 PRO A 84 12.126 6.641 -6.596 1.00 1.10 H new ATOM 0 HB3 PRO A 84 10.885 5.565 -7.208 1.00 1.10 H new ATOM 0 HG2 PRO A 84 12.849 7.275 -8.788 1.00 1.34 H new ATOM 0 HG3 PRO A 84 12.313 5.641 -9.125 1.00 1.34 H new ATOM 0 HD2 PRO A 84 11.206 7.711 -10.479 1.00 1.45 H new ATOM 0 HD3 PRO A 84 10.198 6.364 -9.986 1.00 1.45 H new ATOM 1341 N LYS A 85 11.524 9.812 -7.043 1.00 0.78 N ATOM 1342 CA LYS A 85 12.017 10.967 -6.317 1.00 0.79 C ATOM 1343 C LYS A 85 10.874 11.894 -5.889 1.00 0.80 C ATOM 1344 O LYS A 85 10.974 12.569 -4.865 1.00 0.79 O ATOM 1345 CB LYS A 85 13.081 11.674 -7.156 1.00 1.16 C ATOM 1346 CG LYS A 85 14.482 11.400 -6.617 1.00 1.42 C ATOM 1347 CD LYS A 85 15.560 12.014 -7.523 1.00 1.90 C ATOM 1348 CE LYS A 85 16.977 11.853 -6.950 1.00 2.69 C ATOM 1349 NZ LYS A 85 17.398 10.438 -6.838 1.00 3.12 N ATOM 0 H LYS A 85 11.758 9.813 -8.036 1.00 0.78 H new ATOM 0 HA LYS A 85 12.486 10.640 -5.389 1.00 0.79 H new ATOM 0 HB2 LYS A 85 13.015 11.338 -8.191 1.00 1.16 H new ATOM 0 HB3 LYS A 85 12.893 12.748 -7.157 1.00 1.16 H new ATOM 0 HG2 LYS A 85 14.573 11.810 -5.611 1.00 1.42 H new ATOM 0 HG3 LYS A 85 14.640 10.324 -6.539 1.00 1.42 H new ATOM 0 HD2 LYS A 85 15.514 11.544 -8.505 1.00 1.90 H new ATOM 0 HD3 LYS A 85 15.348 13.074 -7.666 1.00 1.90 H new ATOM 0 HE2 LYS A 85 17.683 12.387 -7.586 1.00 2.69 H new ATOM 0 HE3 LYS A 85 17.020 12.318 -5.965 1.00 2.69 H new ATOM 0 HZ1 LYS A 85 18.360 10.392 -6.446 1.00 3.12 H new ATOM 0 HZ2 LYS A 85 16.744 9.930 -6.209 1.00 3.12 H new ATOM 0 HZ3 LYS A 85 17.386 9.997 -7.780 1.00 3.12 H new ATOM 1363 N GLN A 86 9.788 11.935 -6.663 1.00 0.88 N ATOM 1364 CA GLN A 86 8.617 12.732 -6.370 1.00 0.92 C ATOM 1365 C GLN A 86 7.895 12.110 -5.184 1.00 0.71 C ATOM 1366 O GLN A 86 7.575 12.811 -4.224 1.00 0.70 O ATOM 1367 CB GLN A 86 7.775 12.778 -7.630 1.00 1.14 C ATOM 1368 CG GLN A 86 6.679 13.836 -7.648 1.00 1.80 C ATOM 1369 CD GLN A 86 7.235 15.255 -7.741 1.00 1.82 C ATOM 1370 OE1 GLN A 86 7.744 15.665 -8.784 1.00 2.45 O ATOM 1371 NE2 GLN A 86 7.158 16.014 -6.653 1.00 2.62 N ATOM 0 H GLN A 86 9.706 11.400 -7.528 1.00 0.88 H new ATOM 0 HA GLN A 86 8.860 13.757 -6.090 1.00 0.92 H new ATOM 0 HB2 GLN A 86 8.435 12.949 -8.481 1.00 1.14 H new ATOM 0 HB3 GLN A 86 7.315 11.801 -7.774 1.00 1.14 H new ATOM 0 HG2 GLN A 86 6.016 13.653 -8.494 1.00 1.80 H new ATOM 0 HG3 GLN A 86 6.076 13.744 -6.745 1.00 1.80 H new ATOM 0 HE21 GLN A 86 6.730 15.646 -5.803 1.00 2.62 H new ATOM 0 HE22 GLN A 86 7.527 16.965 -6.667 1.00 2.62 H new ATOM 1380 N LEU A 87 7.719 10.784 -5.218 1.00 0.66 N ATOM 1381 CA LEU A 87 7.295 10.032 -4.047 1.00 0.57 C ATOM 1382 C LEU A 87 8.190 10.378 -2.866 1.00 0.46 C ATOM 1383 O LEU A 87 7.675 10.667 -1.794 1.00 0.47 O ATOM 1384 CB LEU A 87 7.330 8.519 -4.295 1.00 0.73 C ATOM 1385 CG LEU A 87 6.116 8.043 -5.104 1.00 0.85 C ATOM 1386 CD1 LEU A 87 6.593 7.183 -6.272 1.00 1.32 C ATOM 1387 CD2 LEU A 87 5.175 7.242 -4.197 1.00 1.05 C ATOM 0 H LEU A 87 7.866 10.214 -6.051 1.00 0.66 H new ATOM 0 HA LEU A 87 6.264 10.309 -3.829 1.00 0.57 H new ATOM 0 HB2 LEU A 87 8.245 8.260 -4.827 1.00 0.73 H new ATOM 0 HB3 LEU A 87 7.357 7.995 -3.340 1.00 0.73 H new ATOM 0 HG LEU A 87 5.573 8.903 -5.496 1.00 0.85 H new ATOM 0 HD11 LEU A 87 5.733 6.843 -6.849 1.00 1.32 H new ATOM 0 HD12 LEU A 87 7.250 7.771 -6.913 1.00 1.32 H new ATOM 0 HD13 LEU A 87 7.137 6.320 -5.890 1.00 1.32 H new ATOM 0 HD21 LEU A 87 4.314 6.905 -4.774 1.00 1.05 H new ATOM 0 HD22 LEU A 87 5.704 6.377 -3.796 1.00 1.05 H new ATOM 0 HD23 LEU A 87 4.837 7.873 -3.375 1.00 1.05 H new ATOM 1399 N LYS A 88 9.516 10.362 -3.038 1.00 0.44 N ATOM 1400 CA LYS A 88 10.405 10.594 -1.902 1.00 0.46 C ATOM 1401 C LYS A 88 10.223 12.007 -1.329 1.00 0.58 C ATOM 1402 O LYS A 88 10.149 12.172 -0.112 1.00 0.74 O ATOM 1403 CB LYS A 88 11.864 10.252 -2.242 1.00 0.54 C ATOM 1404 CG LYS A 88 12.587 9.689 -1.003 1.00 0.72 C ATOM 1405 CD LYS A 88 13.965 9.114 -1.355 1.00 0.93 C ATOM 1406 CE LYS A 88 14.730 8.541 -0.145 1.00 1.10 C ATOM 1407 NZ LYS A 88 14.032 7.433 0.544 1.00 1.98 N ATOM 0 H LYS A 88 9.985 10.195 -3.928 1.00 0.44 H new ATOM 0 HA LYS A 88 10.121 9.907 -1.105 1.00 0.46 H new ATOM 0 HB2 LYS A 88 11.894 9.522 -3.051 1.00 0.54 H new ATOM 0 HB3 LYS A 88 12.380 11.144 -2.598 1.00 0.54 H new ATOM 0 HG2 LYS A 88 12.702 10.479 -0.260 1.00 0.72 H new ATOM 0 HG3 LYS A 88 11.975 8.911 -0.548 1.00 0.72 H new ATOM 0 HD2 LYS A 88 13.840 8.328 -2.099 1.00 0.93 H new ATOM 0 HD3 LYS A 88 14.568 9.897 -1.816 1.00 0.93 H new ATOM 0 HE2 LYS A 88 15.706 8.189 -0.480 1.00 1.10 H new ATOM 0 HE3 LYS A 88 14.909 9.343 0.571 1.00 1.10 H new ATOM 0 HZ1 LYS A 88 14.707 6.917 1.144 1.00 1.98 H new ATOM 0 HZ2 LYS A 88 13.267 7.818 1.135 1.00 1.98 H new ATOM 0 HZ3 LYS A 88 13.630 6.783 -0.162 1.00 1.98 H new ATOM 1421 N LYS A 89 10.119 13.026 -2.189 1.00 0.65 N ATOM 1422 CA LYS A 89 9.799 14.382 -1.747 1.00 0.86 C ATOM 1423 C LYS A 89 8.457 14.426 -1.004 1.00 0.80 C ATOM 1424 O LYS A 89 8.373 14.939 0.110 1.00 1.00 O ATOM 1425 CB LYS A 89 9.778 15.363 -2.928 1.00 1.07 C ATOM 1426 CG LYS A 89 11.186 15.724 -3.418 1.00 1.51 C ATOM 1427 CD LYS A 89 11.103 16.899 -4.403 1.00 1.88 C ATOM 1428 CE LYS A 89 12.505 17.378 -4.809 1.00 2.84 C ATOM 1429 NZ LYS A 89 12.458 18.606 -5.633 1.00 3.11 N ATOM 0 H LYS A 89 10.253 12.934 -3.196 1.00 0.65 H new ATOM 0 HA LYS A 89 10.585 14.688 -1.057 1.00 0.86 H new ATOM 0 HB2 LYS A 89 9.212 14.925 -3.750 1.00 1.07 H new ATOM 0 HB3 LYS A 89 9.256 16.273 -2.631 1.00 1.07 H new ATOM 0 HG2 LYS A 89 11.819 15.990 -2.572 1.00 1.51 H new ATOM 0 HG3 LYS A 89 11.646 14.862 -3.902 1.00 1.51 H new ATOM 0 HD2 LYS A 89 10.547 16.596 -5.290 1.00 1.88 H new ATOM 0 HD3 LYS A 89 10.552 17.722 -3.948 1.00 1.88 H new ATOM 0 HE2 LYS A 89 13.097 17.566 -3.913 1.00 2.84 H new ATOM 0 HE3 LYS A 89 13.010 16.588 -5.365 1.00 2.84 H new ATOM 0 HZ1 LYS A 89 13.426 18.893 -5.884 1.00 3.11 H new ATOM 0 HZ2 LYS A 89 11.916 18.421 -6.501 1.00 3.11 H new ATOM 0 HZ3 LYS A 89 12.000 19.368 -5.094 1.00 3.11 H new ATOM 1443 N PHE A 90 7.397 13.911 -1.624 1.00 0.62 N ATOM 1444 CA PHE A 90 6.059 13.875 -1.041 1.00 0.60 C ATOM 1445 C PHE A 90 6.099 13.189 0.325 1.00 0.68 C ATOM 1446 O PHE A 90 5.549 13.674 1.313 1.00 0.81 O ATOM 1447 CB PHE A 90 5.130 13.135 -2.009 1.00 0.57 C ATOM 1448 CG PHE A 90 3.874 12.581 -1.371 1.00 0.63 C ATOM 1449 CD1 PHE A 90 2.726 13.384 -1.250 1.00 1.78 C ATOM 1450 CD2 PHE A 90 3.858 11.252 -0.907 1.00 2.27 C ATOM 1451 CE1 PHE A 90 1.560 12.854 -0.674 1.00 1.74 C ATOM 1452 CE2 PHE A 90 2.707 10.740 -0.289 1.00 2.49 C ATOM 1453 CZ PHE A 90 1.561 11.541 -0.173 1.00 1.15 C ATOM 0 H PHE A 90 7.445 13.502 -2.557 1.00 0.62 H new ATOM 0 HA PHE A 90 5.684 14.887 -0.887 1.00 0.60 H new ATOM 0 HB2 PHE A 90 4.845 13.815 -2.812 1.00 0.57 H new ATOM 0 HB3 PHE A 90 5.682 12.315 -2.467 1.00 0.57 H new ATOM 0 HD1 PHE A 90 2.741 14.406 -1.599 1.00 1.78 H new ATOM 0 HD2 PHE A 90 4.731 10.627 -1.027 1.00 2.27 H new ATOM 0 HE1 PHE A 90 0.664 13.454 -0.616 1.00 1.74 H new ATOM 0 HE2 PHE A 90 2.703 9.731 0.097 1.00 2.49 H new ATOM 0 HZ PHE A 90 0.676 11.147 0.303 1.00 1.15 H new ATOM 1463 N ALA A 91 6.793 12.056 0.372 1.00 0.75 N ATOM 1464 CA ALA A 91 6.953 11.254 1.559 1.00 1.03 C ATOM 1465 C ALA A 91 7.601 12.116 2.628 1.00 1.20 C ATOM 1466 O ALA A 91 7.049 12.259 3.707 1.00 1.48 O ATOM 1467 CB ALA A 91 7.791 10.021 1.223 1.00 1.02 C ATOM 0 H ALA A 91 7.269 11.668 -0.442 1.00 0.75 H new ATOM 0 HA ALA A 91 5.993 10.902 1.936 1.00 1.03 H new ATOM 0 HB1 ALA A 91 7.915 9.411 2.118 1.00 1.02 H new ATOM 0 HB2 ALA A 91 7.287 9.437 0.453 1.00 1.02 H new ATOM 0 HB3 ALA A 91 8.769 10.334 0.859 1.00 1.02 H new ATOM 1473 N ALA A 92 8.731 12.744 2.298 1.00 1.30 N ATOM 1474 CA ALA A 92 9.419 13.678 3.176 1.00 1.52 C ATOM 1475 C ALA A 92 8.526 14.848 3.613 1.00 1.34 C ATOM 1476 O ALA A 92 8.730 15.395 4.693 1.00 1.62 O ATOM 1477 CB ALA A 92 10.680 14.181 2.471 1.00 1.77 C ATOM 0 H ALA A 92 9.196 12.613 1.400 1.00 1.30 H new ATOM 0 HA ALA A 92 9.689 13.151 4.091 1.00 1.52 H new ATOM 0 HB1 ALA A 92 11.204 14.882 3.120 1.00 1.77 H new ATOM 0 HB2 ALA A 92 11.332 13.337 2.246 1.00 1.77 H new ATOM 0 HB3 ALA A 92 10.403 14.682 1.544 1.00 1.77 H new ATOM 1483 N ASN A 93 7.564 15.263 2.780 1.00 0.96 N ATOM 1484 CA ASN A 93 6.622 16.318 3.158 1.00 0.93 C ATOM 1485 C ASN A 93 5.663 15.812 4.236 1.00 0.79 C ATOM 1486 O ASN A 93 5.435 16.499 5.230 1.00 0.76 O ATOM 1487 CB ASN A 93 5.848 16.885 1.956 1.00 0.93 C ATOM 1488 CG ASN A 93 6.624 17.972 1.219 1.00 1.06 C ATOM 1489 OD1 ASN A 93 6.234 19.134 1.223 1.00 1.58 O ATOM 1490 ND2 ASN A 93 7.727 17.616 0.570 1.00 2.00 N ATOM 0 H ASN A 93 7.419 14.885 1.844 1.00 0.96 H new ATOM 0 HA ASN A 93 7.210 17.142 3.562 1.00 0.93 H new ATOM 0 HB2 ASN A 93 5.616 16.076 1.263 1.00 0.93 H new ATOM 0 HB3 ASN A 93 4.897 17.292 2.300 1.00 0.93 H new ATOM 0 HD21 ASN A 93 8.268 18.316 0.062 1.00 2.00 H new ATOM 0 HD22 ASN A 93 8.033 16.643 0.580 1.00 2.00 H new ATOM 1497 N TYR A 94 5.090 14.618 4.057 1.00 0.78 N ATOM 1498 CA TYR A 94 4.339 13.986 5.140 1.00 0.74 C ATOM 1499 C TYR A 94 5.284 13.711 6.329 1.00 0.74 C ATOM 1500 O TYR A 94 6.454 13.395 6.125 1.00 0.86 O ATOM 1501 CB TYR A 94 3.613 12.733 4.639 1.00 0.83 C ATOM 1502 CG TYR A 94 2.167 13.023 4.273 1.00 0.87 C ATOM 1503 CD1 TYR A 94 1.834 13.532 3.002 1.00 1.40 C ATOM 1504 CD2 TYR A 94 1.162 12.879 5.248 1.00 2.31 C ATOM 1505 CE1 TYR A 94 0.498 13.860 2.704 1.00 1.31 C ATOM 1506 CE2 TYR A 94 -0.152 13.288 4.973 1.00 2.43 C ATOM 1507 CZ TYR A 94 -0.483 13.795 3.708 1.00 1.05 C ATOM 1508 OH TYR A 94 -1.778 14.140 3.461 1.00 1.22 O ATOM 0 H TYR A 94 5.131 14.081 3.191 1.00 0.78 H new ATOM 0 HA TYR A 94 3.559 14.660 5.496 1.00 0.74 H new ATOM 0 HB2 TYR A 94 4.135 12.335 3.769 1.00 0.83 H new ATOM 0 HB3 TYR A 94 3.645 11.963 5.410 1.00 0.83 H new ATOM 0 HD1 TYR A 94 2.603 13.670 2.257 1.00 1.40 H new ATOM 0 HD2 TYR A 94 1.403 12.453 6.211 1.00 2.31 H new ATOM 0 HE1 TYR A 94 0.227 14.162 1.703 1.00 1.31 H new ATOM 0 HE2 TYR A 94 -0.911 13.212 5.738 1.00 2.43 H new ATOM 0 HH TYR A 94 -1.870 14.417 2.526 1.00 1.22 H new ATOM 1518 N PRO A 95 4.832 13.837 7.589 1.00 0.89 N ATOM 1519 CA PRO A 95 5.700 13.687 8.751 1.00 1.06 C ATOM 1520 C PRO A 95 6.007 12.207 9.034 1.00 0.97 C ATOM 1521 O PRO A 95 5.574 11.661 10.048 1.00 1.17 O ATOM 1522 CB PRO A 95 4.946 14.377 9.893 1.00 1.35 C ATOM 1523 CG PRO A 95 3.480 14.166 9.515 1.00 1.33 C ATOM 1524 CD PRO A 95 3.511 14.292 7.992 1.00 1.05 C ATOM 0 HA PRO A 95 6.681 14.139 8.605 1.00 1.06 H new ATOM 0 HB2 PRO A 95 5.182 13.931 10.859 1.00 1.35 H new ATOM 0 HB3 PRO A 95 5.197 15.436 9.961 1.00 1.35 H new ATOM 0 HG2 PRO A 95 3.115 13.190 9.834 1.00 1.33 H new ATOM 0 HG3 PRO A 95 2.831 14.914 9.971 1.00 1.33 H new ATOM 0 HD2 PRO A 95 2.730 13.686 7.533 1.00 1.05 H new ATOM 0 HD3 PRO A 95 3.339 15.322 7.680 1.00 1.05 H new ATOM 1532 N LEU A 96 6.761 11.560 8.139 1.00 0.79 N ATOM 1533 CA LEU A 96 7.246 10.190 8.285 1.00 0.71 C ATOM 1534 C LEU A 96 8.765 10.160 8.404 1.00 0.64 C ATOM 1535 O LEU A 96 9.441 11.178 8.273 1.00 0.73 O ATOM 1536 CB LEU A 96 6.770 9.311 7.115 1.00 0.74 C ATOM 1537 CG LEU A 96 7.207 9.748 5.711 1.00 0.66 C ATOM 1538 CD1 LEU A 96 8.568 9.173 5.298 1.00 0.65 C ATOM 1539 CD2 LEU A 96 6.142 9.251 4.729 1.00 0.77 C ATOM 0 H LEU A 96 7.059 11.993 7.265 1.00 0.79 H new ATOM 0 HA LEU A 96 6.828 9.782 9.205 1.00 0.71 H new ATOM 0 HB2 LEU A 96 7.128 8.295 7.283 1.00 0.74 H new ATOM 0 HB3 LEU A 96 5.681 9.273 7.137 1.00 0.74 H new ATOM 0 HG LEU A 96 7.310 10.833 5.706 1.00 0.66 H new ATOM 0 HD11 LEU A 96 8.820 9.519 4.296 1.00 0.65 H new ATOM 0 HD12 LEU A 96 9.332 9.507 6.000 1.00 0.65 H new ATOM 0 HD13 LEU A 96 8.520 8.084 5.304 1.00 0.65 H new ATOM 0 HD21 LEU A 96 6.417 9.543 3.715 1.00 0.77 H new ATOM 0 HD22 LEU A 96 6.072 8.165 4.787 1.00 0.77 H new ATOM 0 HD23 LEU A 96 5.178 9.691 4.984 1.00 0.77 H new ATOM 1551 N SER A 97 9.294 8.952 8.595 1.00 0.70 N ATOM 1552 CA SER A 97 10.669 8.603 8.310 1.00 0.75 C ATOM 1553 C SER A 97 10.602 7.343 7.450 1.00 0.62 C ATOM 1554 O SER A 97 9.634 6.586 7.534 1.00 0.71 O ATOM 1555 CB SER A 97 11.426 8.356 9.619 1.00 1.09 C ATOM 1556 OG SER A 97 12.653 7.690 9.375 1.00 2.18 O ATOM 0 H SER A 97 8.753 8.170 8.964 1.00 0.70 H new ATOM 0 HA SER A 97 11.203 9.398 7.789 1.00 0.75 H new ATOM 0 HB2 SER A 97 11.616 9.306 10.119 1.00 1.09 H new ATOM 0 HB3 SER A 97 10.811 7.759 10.292 1.00 1.09 H new ATOM 0 HG SER A 97 13.015 7.351 10.220 1.00 2.18 H new ATOM 1562 N PHE A 98 11.644 7.115 6.649 1.00 0.54 N ATOM 1563 CA PHE A 98 11.854 5.858 5.944 1.00 0.47 C ATOM 1564 C PHE A 98 12.127 4.706 6.920 1.00 0.40 C ATOM 1565 O PHE A 98 11.975 3.547 6.542 1.00 0.40 O ATOM 1566 CB PHE A 98 12.993 6.022 4.936 1.00 0.58 C ATOM 1567 CG PHE A 98 12.633 6.960 3.795 1.00 0.68 C ATOM 1568 CD1 PHE A 98 11.785 6.506 2.766 1.00 2.14 C ATOM 1569 CD2 PHE A 98 12.921 8.334 3.900 1.00 1.60 C ATOM 1570 CE1 PHE A 98 11.145 7.430 1.919 1.00 2.27 C ATOM 1571 CE2 PHE A 98 12.289 9.257 3.048 1.00 1.52 C ATOM 1572 CZ PHE A 98 11.371 8.808 2.084 1.00 0.90 C ATOM 0 H PHE A 98 12.371 7.808 6.472 1.00 0.54 H new ATOM 0 HA PHE A 98 10.943 5.601 5.404 1.00 0.47 H new ATOM 0 HB2 PHE A 98 13.876 6.403 5.450 1.00 0.58 H new ATOM 0 HB3 PHE A 98 13.257 5.046 4.529 1.00 0.58 H new ATOM 0 HD1 PHE A 98 11.626 5.447 2.627 1.00 2.14 H new ATOM 0 HD2 PHE A 98 13.630 8.680 4.638 1.00 1.60 H new ATOM 0 HE1 PHE A 98 10.481 7.081 1.143 1.00 2.27 H new ATOM 0 HE2 PHE A 98 12.509 10.311 3.135 1.00 1.52 H new ATOM 0 HZ PHE A 98 10.840 9.520 1.470 1.00 0.90 H new ATOM 1582 N ASP A 99 12.497 5.058 8.161 1.00 0.45 N ATOM 1583 CA ASP A 99 12.551 4.308 9.409 1.00 0.64 C ATOM 1584 C ASP A 99 12.480 2.796 9.240 1.00 0.50 C ATOM 1585 O ASP A 99 13.428 2.070 9.526 1.00 0.76 O ATOM 1586 CB ASP A 99 11.381 4.805 10.287 1.00 1.05 C ATOM 1587 CG ASP A 99 11.791 5.469 11.587 1.00 1.50 C ATOM 1588 OD1 ASP A 99 12.768 6.244 11.569 1.00 2.89 O ATOM 1589 OD2 ASP A 99 11.085 5.202 12.588 1.00 2.13 O ATOM 0 H ASP A 99 12.808 6.015 8.325 1.00 0.45 H new ATOM 0 HA ASP A 99 13.522 4.488 9.870 1.00 0.64 H new ATOM 0 HB2 ASP A 99 10.787 5.511 9.708 1.00 1.05 H new ATOM 0 HB3 ASP A 99 10.734 3.958 10.517 1.00 1.05 H new ATOM 1594 N ASN A 100 11.294 2.344 8.848 1.00 0.39 N ATOM 1595 CA ASN A 100 10.952 0.948 8.665 1.00 0.40 C ATOM 1596 C ASN A 100 9.784 0.883 7.680 1.00 0.45 C ATOM 1597 O ASN A 100 8.769 0.238 7.936 1.00 0.67 O ATOM 1598 CB ASN A 100 10.585 0.416 10.052 1.00 0.49 C ATOM 1599 CG ASN A 100 10.407 -1.091 10.091 1.00 0.75 C ATOM 1600 OD1 ASN A 100 11.333 -1.831 9.781 1.00 1.61 O ATOM 1601 ND2 ASN A 100 9.233 -1.551 10.504 1.00 0.65 N ATOM 0 H ASN A 100 10.516 2.971 8.642 1.00 0.39 H new ATOM 0 HA ASN A 100 11.761 0.344 8.255 1.00 0.40 H new ATOM 0 HB2 ASN A 100 11.363 0.701 10.760 1.00 0.49 H new ATOM 0 HB3 ASN A 100 9.662 0.892 10.383 1.00 0.49 H new ATOM 0 HD21 ASN A 100 9.075 -2.556 10.573 1.00 0.65 H new ATOM 0 HD22 ASN A 100 8.489 -0.899 10.752 1.00 0.65 H new ATOM 1608 N TRP A 101 9.960 1.565 6.544 1.00 0.37 N ATOM 1609 CA TRP A 101 8.917 1.888 5.581 1.00 0.33 C ATOM 1610 C TRP A 101 9.471 1.700 4.167 1.00 0.34 C ATOM 1611 O TRP A 101 10.342 2.453 3.734 1.00 0.42 O ATOM 1612 CB TRP A 101 8.468 3.338 5.829 1.00 0.38 C ATOM 1613 CG TRP A 101 7.208 3.816 5.168 1.00 0.35 C ATOM 1614 CD1 TRP A 101 6.719 3.422 3.968 1.00 0.41 C ATOM 1615 CD2 TRP A 101 6.245 4.786 5.685 1.00 0.41 C ATOM 1616 NE1 TRP A 101 5.531 4.069 3.716 1.00 0.47 N ATOM 1617 CE2 TRP A 101 5.186 4.919 4.742 1.00 0.44 C ATOM 1618 CE3 TRP A 101 6.158 5.574 6.854 1.00 0.53 C ATOM 1619 CZ2 TRP A 101 4.105 5.785 4.938 1.00 0.54 C ATOM 1620 CZ3 TRP A 101 5.062 6.430 7.075 1.00 0.61 C ATOM 1621 CH2 TRP A 101 4.049 6.556 6.111 1.00 0.61 C ATOM 0 H TRP A 101 10.874 1.920 6.264 1.00 0.37 H new ATOM 0 HA TRP A 101 8.054 1.232 5.692 1.00 0.33 H new ATOM 0 HB2 TRP A 101 8.350 3.470 6.905 1.00 0.38 H new ATOM 0 HB3 TRP A 101 9.278 3.995 5.514 1.00 0.38 H new ATOM 0 HD1 TRP A 101 7.190 2.708 3.309 1.00 0.41 H new ATOM 0 HE1 TRP A 101 4.974 3.935 2.872 1.00 0.47 H new ATOM 0 HE3 TRP A 101 6.946 5.519 7.591 1.00 0.53 H new ATOM 0 HZ2 TRP A 101 3.323 5.860 4.197 1.00 0.54 H new ATOM 0 HZ3 TRP A 101 5.000 6.994 7.994 1.00 0.61 H new ATOM 0 HH2 TRP A 101 3.231 7.242 6.271 1.00 0.61 H new ATOM 1632 N ASP A 102 8.952 0.705 3.443 1.00 0.32 N ATOM 1633 CA ASP A 102 9.417 0.342 2.111 1.00 0.38 C ATOM 1634 C ASP A 102 8.445 0.932 1.073 1.00 0.36 C ATOM 1635 O ASP A 102 7.457 0.291 0.713 1.00 0.42 O ATOM 1636 CB ASP A 102 9.510 -1.200 2.014 1.00 0.45 C ATOM 1637 CG ASP A 102 10.885 -1.804 2.308 1.00 0.57 C ATOM 1638 OD1 ASP A 102 11.849 -1.324 1.668 1.00 1.55 O ATOM 1639 OD2 ASP A 102 10.944 -2.784 3.098 1.00 1.51 O ATOM 0 H ASP A 102 8.184 0.122 3.776 1.00 0.32 H new ATOM 0 HA ASP A 102 10.409 0.747 1.913 1.00 0.38 H new ATOM 0 HB2 ASP A 102 8.788 -1.633 2.707 1.00 0.45 H new ATOM 0 HB3 ASP A 102 9.209 -1.501 1.011 1.00 0.45 H new ATOM 1644 N PHE A 103 8.698 2.144 0.555 1.00 0.38 N ATOM 1645 CA PHE A 103 7.897 2.666 -0.541 1.00 0.42 C ATOM 1646 C PHE A 103 8.372 1.976 -1.822 1.00 0.44 C ATOM 1647 O PHE A 103 9.508 2.215 -2.239 1.00 0.52 O ATOM 1648 CB PHE A 103 8.033 4.187 -0.653 1.00 0.52 C ATOM 1649 CG PHE A 103 7.252 4.988 0.365 1.00 0.49 C ATOM 1650 CD1 PHE A 103 5.907 5.311 0.111 1.00 2.04 C ATOM 1651 CD2 PHE A 103 7.897 5.518 1.499 1.00 1.68 C ATOM 1652 CE1 PHE A 103 5.213 6.169 0.979 1.00 2.04 C ATOM 1653 CE2 PHE A 103 7.223 6.431 2.328 1.00 1.72 C ATOM 1654 CZ PHE A 103 5.884 6.768 2.057 1.00 0.62 C ATOM 0 H PHE A 103 9.440 2.765 0.877 1.00 0.38 H new ATOM 0 HA PHE A 103 6.841 2.462 -0.367 1.00 0.42 H new ATOM 0 HB2 PHE A 103 9.088 4.447 -0.563 1.00 0.52 H new ATOM 0 HB3 PHE A 103 7.714 4.490 -1.650 1.00 0.52 H new ATOM 0 HD1 PHE A 103 5.407 4.898 -0.753 1.00 2.04 H new ATOM 0 HD2 PHE A 103 8.910 5.223 1.732 1.00 1.68 H new ATOM 0 HE1 PHE A 103 4.164 6.368 0.818 1.00 2.04 H new ATOM 0 HE2 PHE A 103 7.732 6.873 3.172 1.00 1.72 H new ATOM 0 HZ PHE A 103 5.372 7.488 2.679 1.00 0.62 H new ATOM 1664 N LEU A 104 7.538 1.105 -2.400 1.00 0.42 N ATOM 1665 CA LEU A 104 7.891 0.247 -3.527 1.00 0.44 C ATOM 1666 C LEU A 104 7.500 0.874 -4.861 1.00 0.50 C ATOM 1667 O LEU A 104 6.471 1.534 -4.954 1.00 0.61 O ATOM 1668 CB LEU A 104 7.283 -1.153 -3.381 1.00 0.44 C ATOM 1669 CG LEU A 104 7.677 -1.865 -2.078 1.00 0.39 C ATOM 1670 CD1 LEU A 104 7.255 -3.330 -2.172 1.00 0.37 C ATOM 1671 CD2 LEU A 104 9.181 -1.814 -1.800 1.00 0.41 C ATOM 0 H LEU A 104 6.576 0.977 -2.086 1.00 0.42 H new ATOM 0 HA LEU A 104 8.976 0.143 -3.518 1.00 0.44 H new ATOM 0 HB2 LEU A 104 6.197 -1.074 -3.427 1.00 0.44 H new ATOM 0 HB3 LEU A 104 7.595 -1.765 -4.227 1.00 0.44 H new ATOM 0 HG LEU A 104 7.173 -1.347 -1.262 1.00 0.39 H new ATOM 0 HD11 LEU A 104 7.529 -3.847 -1.253 1.00 0.37 H new ATOM 0 HD12 LEU A 104 6.176 -3.389 -2.314 1.00 0.37 H new ATOM 0 HD13 LEU A 104 7.758 -3.800 -3.017 1.00 0.37 H new ATOM 0 HD21 LEU A 104 9.396 -2.334 -0.866 1.00 0.41 H new ATOM 0 HD22 LEU A 104 9.718 -2.297 -2.616 1.00 0.41 H new ATOM 0 HD23 LEU A 104 9.501 -0.775 -1.719 1.00 0.41 H new ATOM 1683 N THR A 105 8.312 0.647 -5.897 1.00 0.48 N ATOM 1684 CA THR A 105 7.990 1.059 -7.256 1.00 0.56 C ATOM 1685 C THR A 105 7.053 0.025 -7.885 1.00 0.62 C ATOM 1686 O THR A 105 5.898 0.303 -8.187 1.00 0.94 O ATOM 1687 CB THR A 105 9.281 1.224 -8.076 1.00 0.55 C ATOM 1688 OG1 THR A 105 10.028 0.020 -8.095 1.00 0.51 O ATOM 1689 CG2 THR A 105 10.158 2.347 -7.511 1.00 0.80 C ATOM 0 H THR A 105 9.210 0.172 -5.812 1.00 0.48 H new ATOM 0 HA THR A 105 7.482 2.023 -7.244 1.00 0.56 H new ATOM 0 HB THR A 105 8.983 1.481 -9.093 1.00 0.55 H new ATOM 0 HG1 THR A 105 10.413 -0.140 -7.208 1.00 0.51 H new ATOM 0 HG21 THR A 105 11.063 2.439 -8.112 1.00 0.80 H new ATOM 0 HG22 THR A 105 9.607 3.287 -7.538 1.00 0.80 H new ATOM 0 HG23 THR A 105 10.428 2.114 -6.481 1.00 0.80 H new ATOM 1697 N GLY A 106 7.591 -1.176 -8.100 1.00 0.63 N ATOM 1698 CA GLY A 106 6.959 -2.210 -8.903 1.00 0.94 C ATOM 1699 C GLY A 106 7.049 -1.867 -10.391 1.00 0.77 C ATOM 1700 O GLY A 106 6.146 -2.204 -11.145 1.00 0.93 O ATOM 0 H GLY A 106 8.492 -1.457 -7.713 1.00 0.63 H new ATOM 0 HA2 GLY A 106 7.442 -3.169 -8.716 1.00 0.94 H new ATOM 0 HA3 GLY A 106 5.914 -2.317 -8.611 1.00 0.94 H new ATOM 1704 N TYR A 107 8.156 -1.224 -10.789 1.00 0.98 N ATOM 1705 CA TYR A 107 8.506 -0.824 -12.151 1.00 0.93 C ATOM 1706 C TYR A 107 7.320 -0.509 -13.062 1.00 0.95 C ATOM 1707 O TYR A 107 6.667 0.502 -12.829 1.00 1.22 O ATOM 1708 CB TYR A 107 9.561 -1.785 -12.727 1.00 1.09 C ATOM 1709 CG TYR A 107 10.188 -1.405 -14.061 1.00 1.29 C ATOM 1710 CD1 TYR A 107 10.521 -0.068 -14.358 1.00 1.76 C ATOM 1711 CD2 TYR A 107 10.511 -2.415 -14.988 1.00 2.58 C ATOM 1712 CE1 TYR A 107 11.093 0.260 -15.600 1.00 2.11 C ATOM 1713 CE2 TYR A 107 11.067 -2.087 -16.235 1.00 3.01 C ATOM 1714 CZ TYR A 107 11.345 -0.746 -16.546 1.00 2.33 C ATOM 1715 OH TYR A 107 11.888 -0.419 -17.753 1.00 2.94 O ATOM 0 H TYR A 107 8.876 -0.953 -10.119 1.00 0.98 H new ATOM 0 HA TYR A 107 8.974 0.159 -12.096 1.00 0.93 H new ATOM 0 HB2 TYR A 107 10.361 -1.888 -11.994 1.00 1.09 H new ATOM 0 HB3 TYR A 107 9.101 -2.767 -12.837 1.00 1.09 H new ATOM 0 HD1 TYR A 107 10.336 0.707 -13.629 1.00 1.76 H new ATOM 0 HD2 TYR A 107 10.330 -3.450 -14.738 1.00 2.58 H new ATOM 0 HE1 TYR A 107 11.339 1.287 -15.826 1.00 2.11 H new ATOM 0 HE2 TYR A 107 11.280 -2.864 -16.954 1.00 3.01 H new ATOM 0 HH TYR A 107 12.000 -1.230 -18.292 1.00 2.94 H new ATOM 1725 N SER A 108 7.081 -1.250 -14.144 1.00 1.26 N ATOM 1726 CA SER A 108 6.099 -0.783 -15.107 1.00 1.23 C ATOM 1727 C SER A 108 4.678 -0.945 -14.569 1.00 0.88 C ATOM 1728 O SER A 108 4.415 -1.664 -13.604 1.00 1.05 O ATOM 1729 CB SER A 108 6.278 -1.474 -16.463 1.00 1.70 C ATOM 1730 OG SER A 108 5.865 -2.814 -16.380 1.00 3.22 O ATOM 0 H SER A 108 7.534 -2.137 -14.366 1.00 1.26 H new ATOM 0 HA SER A 108 6.265 0.283 -15.265 1.00 1.23 H new ATOM 0 HB2 SER A 108 5.698 -0.953 -17.225 1.00 1.70 H new ATOM 0 HB3 SER A 108 7.323 -1.426 -16.769 1.00 1.70 H new ATOM 0 HG SER A 108 6.643 -3.386 -16.212 1.00 3.22 H new ATOM 1736 N GLN A 109 3.751 -0.308 -15.285 1.00 0.86 N ATOM 1737 CA GLN A 109 2.332 -0.571 -15.229 1.00 0.81 C ATOM 1738 C GLN A 109 2.160 -2.089 -15.333 1.00 0.86 C ATOM 1739 O GLN A 109 1.515 -2.688 -14.489 1.00 0.98 O ATOM 1740 CB GLN A 109 1.606 0.154 -16.373 1.00 1.08 C ATOM 1741 CG GLN A 109 2.078 1.575 -16.734 1.00 1.80 C ATOM 1742 CD GLN A 109 1.673 2.707 -15.790 1.00 2.08 C ATOM 1743 OE1 GLN A 109 0.954 3.605 -16.213 1.00 3.10 O ATOM 1744 NE2 GLN A 109 2.186 2.736 -14.564 1.00 2.01 N ATOM 0 H GLN A 109 3.989 0.434 -15.944 1.00 0.86 H new ATOM 0 HA GLN A 109 1.898 -0.203 -14.300 1.00 0.81 H new ATOM 0 HB2 GLN A 109 1.688 -0.464 -17.267 1.00 1.08 H new ATOM 0 HB3 GLN A 109 0.548 0.207 -16.118 1.00 1.08 H new ATOM 0 HG2 GLN A 109 3.166 1.563 -16.800 1.00 1.80 H new ATOM 0 HG3 GLN A 109 1.701 1.814 -17.729 1.00 1.80 H new ATOM 0 HE21 GLN A 109 2.781 1.973 -14.242 1.00 2.01 H new ATOM 0 HE22 GLN A 109 1.985 3.522 -13.945 1.00 2.01 H new ATOM 1753 N SER A 110 2.826 -2.725 -16.303 1.00 1.01 N ATOM 1754 CA SER A 110 2.724 -4.153 -16.549 1.00 1.26 C ATOM 1755 C SER A 110 3.089 -4.965 -15.303 1.00 1.27 C ATOM 1756 O SER A 110 2.354 -5.874 -14.920 1.00 1.54 O ATOM 1757 CB SER A 110 3.617 -4.521 -17.740 1.00 1.56 C ATOM 1758 OG SER A 110 3.627 -3.461 -18.684 1.00 1.58 O ATOM 0 H SER A 110 3.459 -2.247 -16.945 1.00 1.01 H new ATOM 0 HA SER A 110 1.690 -4.400 -16.788 1.00 1.26 H new ATOM 0 HB2 SER A 110 4.632 -4.722 -17.396 1.00 1.56 H new ATOM 0 HB3 SER A 110 3.253 -5.434 -18.210 1.00 1.56 H new ATOM 0 HG SER A 110 4.201 -3.702 -19.441 1.00 1.58 H new ATOM 1764 N GLU A 111 4.221 -4.639 -14.669 1.00 1.10 N ATOM 1765 CA GLU A 111 4.622 -5.286 -13.425 1.00 1.18 C ATOM 1766 C GLU A 111 3.551 -5.087 -12.350 1.00 1.12 C ATOM 1767 O GLU A 111 3.015 -6.054 -11.805 1.00 1.33 O ATOM 1768 CB GLU A 111 5.969 -4.740 -12.926 1.00 1.23 C ATOM 1769 CG GLU A 111 7.191 -5.482 -13.487 1.00 1.53 C ATOM 1770 CD GLU A 111 7.577 -4.970 -14.859 1.00 2.75 C ATOM 1771 OE1 GLU A 111 7.831 -3.747 -14.940 1.00 3.53 O ATOM 1772 OE2 GLU A 111 7.570 -5.773 -15.812 1.00 4.04 O ATOM 0 H GLU A 111 4.873 -3.929 -15.002 1.00 1.10 H new ATOM 0 HA GLU A 111 4.735 -6.352 -13.625 1.00 1.18 H new ATOM 0 HB2 GLU A 111 6.043 -3.686 -13.193 1.00 1.23 H new ATOM 0 HB3 GLU A 111 5.991 -4.796 -11.838 1.00 1.23 H new ATOM 0 HG2 GLU A 111 8.033 -5.364 -12.805 1.00 1.53 H new ATOM 0 HG3 GLU A 111 6.974 -6.549 -13.545 1.00 1.53 H new ATOM 1779 N ILE A 112 3.274 -3.828 -11.998 1.00 0.94 N ATOM 1780 CA ILE A 112 2.401 -3.542 -10.866 1.00 1.01 C ATOM 1781 C ILE A 112 0.974 -4.050 -11.122 1.00 1.04 C ATOM 1782 O ILE A 112 0.310 -4.459 -10.176 1.00 1.15 O ATOM 1783 CB ILE A 112 2.483 -2.052 -10.469 1.00 1.01 C ATOM 1784 CG1 ILE A 112 1.898 -1.759 -9.075 1.00 1.30 C ATOM 1785 CG2 ILE A 112 1.778 -1.158 -11.488 1.00 1.01 C ATOM 1786 CD1 ILE A 112 2.867 -2.134 -7.953 1.00 1.19 C ATOM 0 H ILE A 112 3.638 -3.004 -12.476 1.00 0.94 H new ATOM 0 HA ILE A 112 2.752 -4.097 -9.996 1.00 1.01 H new ATOM 0 HB ILE A 112 3.549 -1.826 -10.447 1.00 1.01 H new ATOM 0 HG12 ILE A 112 1.651 -0.700 -9.001 1.00 1.30 H new ATOM 0 HG13 ILE A 112 0.967 -2.312 -8.949 1.00 1.30 H new ATOM 0 HG21 ILE A 112 1.857 -0.117 -11.175 1.00 1.01 H new ATOM 0 HG22 ILE A 112 2.247 -1.280 -12.465 1.00 1.01 H new ATOM 0 HG23 ILE A 112 0.727 -1.439 -11.553 1.00 1.01 H new ATOM 0 HD11 ILE A 112 2.411 -1.910 -6.989 1.00 1.19 H new ATOM 0 HD12 ILE A 112 3.093 -3.199 -8.008 1.00 1.19 H new ATOM 0 HD13 ILE A 112 3.788 -1.561 -8.061 1.00 1.19 H new ATOM 1798 N GLU A 113 0.507 -4.050 -12.377 1.00 1.00 N ATOM 1799 CA GLU A 113 -0.829 -4.448 -12.796 1.00 1.00 C ATOM 1800 C GLU A 113 -1.231 -5.783 -12.180 1.00 0.98 C ATOM 1801 O GLU A 113 -2.068 -5.815 -11.282 1.00 0.99 O ATOM 1802 CB GLU A 113 -0.920 -4.508 -14.333 1.00 1.10 C ATOM 1803 CG GLU A 113 -1.389 -3.189 -14.966 1.00 1.63 C ATOM 1804 CD GLU A 113 -1.080 -3.139 -16.457 1.00 2.27 C ATOM 1805 OE1 GLU A 113 -1.321 -4.173 -17.117 1.00 2.49 O ATOM 1806 OE2 GLU A 113 -0.627 -2.068 -16.915 1.00 3.44 O ATOM 0 H GLU A 113 1.087 -3.756 -13.163 1.00 1.00 H new ATOM 0 HA GLU A 113 -1.529 -3.694 -12.437 1.00 1.00 H new ATOM 0 HB2 GLU A 113 0.058 -4.770 -14.738 1.00 1.10 H new ATOM 0 HB3 GLU A 113 -1.607 -5.305 -14.619 1.00 1.10 H new ATOM 0 HG2 GLU A 113 -2.462 -3.073 -14.813 1.00 1.63 H new ATOM 0 HG3 GLU A 113 -0.903 -2.352 -14.465 1.00 1.63 H new ATOM 1813 N GLU A 114 -0.671 -6.892 -12.671 1.00 1.04 N ATOM 1814 CA GLU A 114 -1.129 -8.217 -12.275 1.00 1.10 C ATOM 1815 C GLU A 114 -1.062 -8.377 -10.753 1.00 1.02 C ATOM 1816 O GLU A 114 -2.051 -8.742 -10.112 1.00 1.05 O ATOM 1817 CB GLU A 114 -0.368 -9.299 -13.035 1.00 1.23 C ATOM 1818 CG GLU A 114 -0.970 -10.674 -12.725 1.00 1.48 C ATOM 1819 CD GLU A 114 -0.327 -11.815 -13.495 1.00 1.53 C ATOM 1820 OE1 GLU A 114 0.379 -11.542 -14.485 1.00 1.87 O ATOM 1821 OE2 GLU A 114 -0.589 -12.957 -13.053 1.00 2.36 O ATOM 0 H GLU A 114 0.098 -6.894 -13.341 1.00 1.04 H new ATOM 0 HA GLU A 114 -2.178 -8.334 -12.549 1.00 1.10 H new ATOM 0 HB2 GLU A 114 -0.415 -9.105 -14.107 1.00 1.23 H new ATOM 0 HB3 GLU A 114 0.685 -9.281 -12.754 1.00 1.23 H new ATOM 0 HG2 GLU A 114 -0.874 -10.870 -11.657 1.00 1.48 H new ATOM 0 HG3 GLU A 114 -2.036 -10.652 -12.950 1.00 1.48 H new ATOM 1828 N PHE A 115 0.102 -8.045 -10.188 1.00 0.93 N ATOM 1829 CA PHE A 115 0.337 -7.986 -8.753 1.00 0.84 C ATOM 1830 C PHE A 115 -0.831 -7.291 -8.041 1.00 0.82 C ATOM 1831 O PHE A 115 -1.463 -7.862 -7.152 1.00 0.86 O ATOM 1832 CB PHE A 115 1.669 -7.258 -8.503 1.00 0.77 C ATOM 1833 CG PHE A 115 1.831 -6.726 -7.093 1.00 0.73 C ATOM 1834 CD1 PHE A 115 2.008 -7.610 -6.012 1.00 1.78 C ATOM 1835 CD2 PHE A 115 1.621 -5.356 -6.850 1.00 1.91 C ATOM 1836 CE1 PHE A 115 1.944 -7.126 -4.692 1.00 1.77 C ATOM 1837 CE2 PHE A 115 1.590 -4.871 -5.535 1.00 1.99 C ATOM 1838 CZ PHE A 115 1.724 -5.757 -4.453 1.00 0.89 C ATOM 0 H PHE A 115 0.927 -7.804 -10.737 1.00 0.93 H new ATOM 0 HA PHE A 115 0.402 -8.994 -8.344 1.00 0.84 H new ATOM 0 HB2 PHE A 115 2.490 -7.942 -8.718 1.00 0.77 H new ATOM 0 HB3 PHE A 115 1.754 -6.428 -9.204 1.00 0.77 H new ATOM 0 HD1 PHE A 115 2.193 -8.658 -6.195 1.00 1.78 H new ATOM 0 HD2 PHE A 115 1.483 -4.677 -7.678 1.00 1.91 H new ATOM 0 HE1 PHE A 115 2.064 -7.806 -3.862 1.00 1.77 H new ATOM 0 HE2 PHE A 115 1.463 -3.814 -5.353 1.00 1.99 H new ATOM 0 HZ PHE A 115 1.658 -5.388 -3.440 1.00 0.89 H new ATOM 1848 N ALA A 116 -1.122 -6.051 -8.435 1.00 0.81 N ATOM 1849 CA ALA A 116 -2.113 -5.212 -7.790 1.00 0.85 C ATOM 1850 C ALA A 116 -3.532 -5.719 -8.043 1.00 0.92 C ATOM 1851 O ALA A 116 -4.409 -5.502 -7.207 1.00 0.98 O ATOM 1852 CB ALA A 116 -1.953 -3.765 -8.242 1.00 0.97 C ATOM 0 H ALA A 116 -0.663 -5.600 -9.227 1.00 0.81 H new ATOM 0 HA ALA A 116 -1.947 -5.258 -6.714 1.00 0.85 H new ATOM 0 HB1 ALA A 116 -2.703 -3.145 -7.751 1.00 0.97 H new ATOM 0 HB2 ALA A 116 -0.958 -3.409 -7.977 1.00 0.97 H new ATOM 0 HB3 ALA A 116 -2.084 -3.705 -9.322 1.00 0.97 H new ATOM 1858 N LEU A 117 -3.769 -6.372 -9.185 1.00 0.97 N ATOM 1859 CA LEU A 117 -5.027 -7.025 -9.515 1.00 1.08 C ATOM 1860 C LEU A 117 -5.309 -8.097 -8.472 1.00 1.17 C ATOM 1861 O LEU A 117 -6.311 -8.032 -7.764 1.00 1.26 O ATOM 1862 CB LEU A 117 -4.960 -7.638 -10.921 1.00 1.15 C ATOM 1863 CG LEU A 117 -6.275 -7.617 -11.716 1.00 1.30 C ATOM 1864 CD1 LEU A 117 -7.428 -8.234 -10.918 1.00 1.59 C ATOM 1865 CD2 LEU A 117 -6.648 -6.214 -12.201 1.00 1.35 C ATOM 0 H LEU A 117 -3.068 -6.460 -9.921 1.00 0.97 H new ATOM 0 HA LEU A 117 -5.835 -6.293 -9.511 1.00 1.08 H new ATOM 0 HB2 LEU A 117 -4.201 -7.106 -11.494 1.00 1.15 H new ATOM 0 HB3 LEU A 117 -4.626 -8.672 -10.832 1.00 1.15 H new ATOM 0 HG LEU A 117 -6.103 -8.230 -12.600 1.00 1.30 H new ATOM 0 HD11 LEU A 117 -8.341 -8.201 -11.513 1.00 1.59 H new ATOM 0 HD12 LEU A 117 -7.190 -9.270 -10.676 1.00 1.59 H new ATOM 0 HD13 LEU A 117 -7.575 -7.671 -9.996 1.00 1.59 H new ATOM 0 HD21 LEU A 117 -7.585 -6.258 -12.756 1.00 1.35 H new ATOM 0 HD22 LEU A 117 -6.766 -5.552 -11.343 1.00 1.35 H new ATOM 0 HD23 LEU A 117 -5.860 -5.832 -12.849 1.00 1.35 H new ATOM 1877 N LYS A 118 -4.402 -9.075 -8.388 1.00 1.19 N ATOM 1878 CA LYS A 118 -4.510 -10.170 -7.438 1.00 1.34 C ATOM 1879 C LYS A 118 -4.627 -9.607 -6.018 1.00 1.30 C ATOM 1880 O LYS A 118 -5.578 -9.913 -5.302 1.00 1.48 O ATOM 1881 CB LYS A 118 -3.294 -11.099 -7.568 1.00 1.41 C ATOM 1882 CG LYS A 118 -3.479 -12.242 -8.576 1.00 1.73 C ATOM 1883 CD LYS A 118 -3.388 -11.783 -10.037 1.00 2.20 C ATOM 1884 CE LYS A 118 -3.385 -12.971 -11.016 1.00 2.74 C ATOM 1885 NZ LYS A 118 -2.080 -13.666 -11.082 1.00 3.05 N ATOM 0 H LYS A 118 -3.573 -9.124 -8.981 1.00 1.19 H new ATOM 0 HA LYS A 118 -5.405 -10.755 -7.652 1.00 1.34 H new ATOM 0 HB2 LYS A 118 -2.428 -10.506 -7.863 1.00 1.41 H new ATOM 0 HB3 LYS A 118 -3.070 -11.525 -6.590 1.00 1.41 H new ATOM 0 HG2 LYS A 118 -2.721 -13.004 -8.394 1.00 1.73 H new ATOM 0 HG3 LYS A 118 -4.449 -12.711 -8.409 1.00 1.73 H new ATOM 0 HD2 LYS A 118 -4.229 -11.128 -10.264 1.00 2.20 H new ATOM 0 HD3 LYS A 118 -2.480 -11.196 -10.177 1.00 2.20 H new ATOM 0 HE2 LYS A 118 -4.154 -13.683 -10.716 1.00 2.74 H new ATOM 0 HE3 LYS A 118 -3.651 -12.615 -12.011 1.00 2.74 H new ATOM 0 HZ1 LYS A 118 -2.224 -14.644 -11.405 1.00 3.05 H new ATOM 0 HZ2 LYS A 118 -1.455 -13.169 -11.749 1.00 3.05 H new ATOM 0 HZ3 LYS A 118 -1.643 -13.674 -10.138 1.00 3.05 H new ATOM 1899 N SER A 119 -3.664 -8.762 -5.642 1.00 1.11 N ATOM 1900 CA SER A 119 -3.576 -8.166 -4.319 1.00 1.12 C ATOM 1901 C SER A 119 -4.891 -7.485 -3.932 1.00 1.18 C ATOM 1902 O SER A 119 -5.503 -7.845 -2.927 1.00 1.27 O ATOM 1903 CB SER A 119 -2.389 -7.188 -4.297 1.00 1.04 C ATOM 1904 OG SER A 119 -2.163 -6.618 -3.024 1.00 2.86 O ATOM 0 H SER A 119 -2.911 -8.471 -6.266 1.00 1.11 H new ATOM 0 HA SER A 119 -3.405 -8.943 -3.574 1.00 1.12 H new ATOM 0 HB2 SER A 119 -1.489 -7.712 -4.619 1.00 1.04 H new ATOM 0 HB3 SER A 119 -2.569 -6.391 -5.018 1.00 1.04 H new ATOM 0 HG SER A 119 -2.947 -6.094 -2.756 1.00 2.86 H new ATOM 1910 N PHE A 120 -5.292 -6.463 -4.697 1.00 1.17 N ATOM 1911 CA PHE A 120 -6.375 -5.559 -4.325 1.00 1.26 C ATOM 1912 C PHE A 120 -7.470 -5.522 -5.382 1.00 1.30 C ATOM 1913 O PHE A 120 -8.618 -5.785 -5.045 1.00 1.50 O ATOM 1914 CB PHE A 120 -5.832 -4.149 -4.039 1.00 1.26 C ATOM 1915 CG PHE A 120 -4.798 -4.021 -2.928 1.00 1.32 C ATOM 1916 CD1 PHE A 120 -4.745 -4.944 -1.866 1.00 1.91 C ATOM 1917 CD2 PHE A 120 -3.922 -2.919 -2.919 1.00 2.13 C ATOM 1918 CE1 PHE A 120 -3.693 -4.891 -0.939 1.00 1.87 C ATOM 1919 CE2 PHE A 120 -2.933 -2.811 -1.925 1.00 2.29 C ATOM 1920 CZ PHE A 120 -2.777 -3.831 -0.972 1.00 1.52 C ATOM 0 H PHE A 120 -4.868 -6.242 -5.598 1.00 1.17 H new ATOM 0 HA PHE A 120 -6.826 -5.944 -3.410 1.00 1.26 H new ATOM 0 HB2 PHE A 120 -5.392 -3.762 -4.958 1.00 1.26 H new ATOM 0 HB3 PHE A 120 -6.676 -3.504 -3.793 1.00 1.26 H new ATOM 0 HD1 PHE A 120 -5.515 -5.694 -1.765 1.00 1.91 H new ATOM 0 HD2 PHE A 120 -4.010 -2.155 -3.677 1.00 2.13 H new ATOM 0 HE1 PHE A 120 -3.589 -5.670 -0.198 1.00 1.87 H new ATOM 0 HE2 PHE A 120 -2.292 -1.942 -1.894 1.00 2.29 H new ATOM 0 HZ PHE A 120 -1.957 -3.799 -0.270 1.00 1.52 H new ATOM 1930 N LYS A 121 -7.143 -5.228 -6.639 1.00 1.30 N ATOM 1931 CA LYS A 121 -7.843 -4.325 -7.555 1.00 1.56 C ATOM 1932 C LYS A 121 -7.270 -2.894 -7.503 1.00 1.66 C ATOM 1933 O LYS A 121 -7.964 -1.923 -7.217 1.00 2.25 O ATOM 1934 CB LYS A 121 -9.389 -4.444 -7.501 1.00 1.88 C ATOM 1935 CG LYS A 121 -10.220 -3.428 -6.691 1.00 2.08 C ATOM 1936 CD LYS A 121 -9.765 -3.156 -5.254 1.00 2.14 C ATOM 1937 CE LYS A 121 -10.534 -1.982 -4.633 1.00 2.33 C ATOM 1938 NZ LYS A 121 -10.153 -1.707 -3.230 1.00 3.28 N ATOM 0 H LYS A 121 -6.322 -5.645 -7.077 1.00 1.30 H new ATOM 0 HA LYS A 121 -7.629 -4.667 -8.567 1.00 1.56 H new ATOM 0 HB2 LYS A 121 -9.751 -4.411 -8.529 1.00 1.88 H new ATOM 0 HB3 LYS A 121 -9.623 -5.435 -7.112 1.00 1.88 H new ATOM 0 HG2 LYS A 121 -10.222 -2.482 -7.232 1.00 2.08 H new ATOM 0 HG3 LYS A 121 -11.251 -3.780 -6.660 1.00 2.08 H new ATOM 0 HD2 LYS A 121 -9.914 -4.050 -4.649 1.00 2.14 H new ATOM 0 HD3 LYS A 121 -8.697 -2.938 -5.244 1.00 2.14 H new ATOM 0 HE2 LYS A 121 -10.361 -1.087 -5.231 1.00 2.33 H new ATOM 0 HE3 LYS A 121 -11.602 -2.193 -4.677 1.00 2.33 H new ATOM 0 HZ1 LYS A 121 -10.645 -0.853 -2.898 1.00 3.28 H new ATOM 0 HZ2 LYS A 121 -10.421 -2.515 -2.633 1.00 3.28 H new ATOM 0 HZ3 LYS A 121 -9.125 -1.559 -3.172 1.00 3.28 H new ATOM 1952 N ALA A 122 -5.973 -2.744 -7.800 1.00 1.28 N ATOM 1953 CA ALA A 122 -5.329 -1.429 -7.767 1.00 1.47 C ATOM 1954 C ALA A 122 -4.264 -1.253 -8.858 1.00 1.45 C ATOM 1955 O ALA A 122 -3.137 -0.859 -8.563 1.00 2.48 O ATOM 1956 CB ALA A 122 -4.752 -1.189 -6.369 1.00 1.59 C ATOM 0 H ALA A 122 -5.355 -3.511 -8.064 1.00 1.28 H new ATOM 0 HA ALA A 122 -6.087 -0.676 -7.983 1.00 1.47 H new ATOM 0 HB1 ALA A 122 -4.271 -0.212 -6.337 1.00 1.59 H new ATOM 0 HB2 ALA A 122 -5.555 -1.222 -5.633 1.00 1.59 H new ATOM 0 HB3 ALA A 122 -4.018 -1.962 -6.140 1.00 1.59 H new ATOM 1962 N ILE A 123 -4.609 -1.528 -10.121 1.00 1.36 N ATOM 1963 CA ILE A 123 -3.706 -1.229 -11.233 1.00 1.32 C ATOM 1964 C ILE A 123 -3.668 0.273 -11.510 1.00 1.04 C ATOM 1965 O ILE A 123 -4.435 1.035 -10.921 1.00 2.06 O ATOM 1966 CB ILE A 123 -4.042 -2.026 -12.492 1.00 2.47 C ATOM 1967 CG1 ILE A 123 -5.289 -1.471 -13.197 1.00 3.97 C ATOM 1968 CG2 ILE A 123 -4.237 -3.502 -12.114 1.00 3.66 C ATOM 1969 CD1 ILE A 123 -5.554 -2.262 -14.470 1.00 5.16 C ATOM 0 H ILE A 123 -5.496 -1.952 -10.394 1.00 1.36 H new ATOM 0 HA ILE A 123 -2.707 -1.545 -10.931 1.00 1.32 H new ATOM 0 HB ILE A 123 -3.215 -1.936 -13.196 1.00 2.47 H new ATOM 0 HG12 ILE A 123 -6.151 -1.532 -12.533 1.00 3.97 H new ATOM 0 HG13 ILE A 123 -5.145 -0.417 -13.436 1.00 3.97 H new ATOM 0 HG21 ILE A 123 -4.477 -4.078 -13.008 1.00 3.66 H new ATOM 0 HG22 ILE A 123 -3.320 -3.888 -11.669 1.00 3.66 H new ATOM 0 HG23 ILE A 123 -5.053 -3.589 -11.396 1.00 3.66 H new ATOM 0 HD11 ILE A 123 -6.439 -1.865 -14.967 1.00 5.16 H new ATOM 0 HD12 ILE A 123 -4.695 -2.178 -15.136 1.00 5.16 H new ATOM 0 HD13 ILE A 123 -5.718 -3.310 -14.220 1.00 5.16 H new ATOM 2201 N SER A 138 -6.065 4.196 1.163 1.00 1.22 N ATOM 2202 CA SER A 138 -6.596 3.021 1.838 1.00 1.03 C ATOM 2203 C SER A 138 -5.452 2.161 2.376 1.00 0.85 C ATOM 2204 O SER A 138 -4.396 2.061 1.753 1.00 0.96 O ATOM 2205 CB SER A 138 -7.457 2.190 0.877 1.00 1.36 C ATOM 2206 OG SER A 138 -8.205 3.028 0.009 1.00 1.79 O ATOM 0 HA SER A 138 -7.217 3.355 2.669 1.00 1.03 H new ATOM 0 HB2 SER A 138 -6.819 1.530 0.290 1.00 1.36 H new ATOM 0 HB3 SER A 138 -8.134 1.554 1.447 1.00 1.36 H new ATOM 0 HG SER A 138 -9.009 3.344 0.472 1.00 1.79 H new ATOM 2212 N PHE A 139 -5.694 1.530 3.522 1.00 0.72 N ATOM 2213 CA PHE A 139 -4.763 0.660 4.223 1.00 0.60 C ATOM 2214 C PHE A 139 -5.044 -0.785 3.837 1.00 0.58 C ATOM 2215 O PHE A 139 -6.187 -1.122 3.534 1.00 0.74 O ATOM 2216 CB PHE A 139 -4.992 0.798 5.738 1.00 0.70 C ATOM 2217 CG PHE A 139 -3.816 1.311 6.544 1.00 0.65 C ATOM 2218 CD1 PHE A 139 -2.584 0.633 6.493 1.00 2.25 C ATOM 2219 CD2 PHE A 139 -3.951 2.453 7.356 1.00 1.70 C ATOM 2220 CE1 PHE A 139 -1.458 1.174 7.131 1.00 2.48 C ATOM 2221 CE2 PHE A 139 -2.839 2.952 8.055 1.00 1.68 C ATOM 2222 CZ PHE A 139 -1.585 2.337 7.905 1.00 1.18 C ATOM 0 H PHE A 139 -6.587 1.618 4.007 1.00 0.72 H new ATOM 0 HA PHE A 139 -3.741 0.935 3.962 1.00 0.60 H new ATOM 0 HB2 PHE A 139 -5.837 1.468 5.898 1.00 0.70 H new ATOM 0 HB3 PHE A 139 -5.279 -0.177 6.132 1.00 0.70 H new ATOM 0 HD1 PHE A 139 -2.505 -0.304 5.962 1.00 2.25 H new ATOM 0 HD2 PHE A 139 -4.909 2.945 7.442 1.00 1.70 H new ATOM 0 HE1 PHE A 139 -0.495 0.696 7.027 1.00 2.48 H new ATOM 0 HE2 PHE A 139 -2.948 3.807 8.706 1.00 1.68 H new ATOM 0 HZ PHE A 139 -0.716 2.761 8.387 1.00 1.18 H new ATOM 2232 N TYR A 140 -4.025 -1.636 3.944 1.00 0.46 N ATOM 2233 CA TYR A 140 -4.136 -3.088 3.979 1.00 0.44 C ATOM 2234 C TYR A 140 -3.163 -3.645 5.024 1.00 0.51 C ATOM 2235 O TYR A 140 -2.098 -3.074 5.258 1.00 0.93 O ATOM 2236 CB TYR A 140 -3.876 -3.683 2.589 1.00 0.55 C ATOM 2237 CG TYR A 140 -5.055 -3.595 1.637 1.00 0.70 C ATOM 2238 CD1 TYR A 140 -5.306 -2.416 0.912 1.00 1.60 C ATOM 2239 CD2 TYR A 140 -5.916 -4.697 1.488 1.00 2.29 C ATOM 2240 CE1 TYR A 140 -6.461 -2.313 0.114 1.00 1.68 C ATOM 2241 CE2 TYR A 140 -6.992 -4.634 0.586 1.00 2.51 C ATOM 2242 CZ TYR A 140 -7.316 -3.415 -0.029 1.00 1.35 C ATOM 2243 OH TYR A 140 -8.568 -3.227 -0.536 1.00 1.82 O ATOM 0 H TYR A 140 -3.059 -1.316 4.011 1.00 0.46 H new ATOM 0 HA TYR A 140 -5.149 -3.371 4.265 1.00 0.44 H new ATOM 0 HB2 TYR A 140 -3.025 -3.170 2.141 1.00 0.55 H new ATOM 0 HB3 TYR A 140 -3.594 -4.730 2.703 1.00 0.55 H new ATOM 0 HD1 TYR A 140 -4.613 -1.590 0.968 1.00 1.60 H new ATOM 0 HD2 TYR A 140 -5.750 -5.593 2.068 1.00 2.29 H new ATOM 0 HE1 TYR A 140 -6.689 -1.385 -0.388 1.00 1.68 H new ATOM 0 HE2 TYR A 140 -7.568 -5.521 0.367 1.00 2.51 H new ATOM 0 HH TYR A 140 -9.210 -3.147 0.200 1.00 1.82 H new ATOM 2253 N LEU A 141 -3.525 -4.764 5.658 1.00 0.44 N ATOM 2254 CA LEU A 141 -2.663 -5.538 6.546 1.00 0.42 C ATOM 2255 C LEU A 141 -2.518 -6.922 5.943 1.00 0.39 C ATOM 2256 O LEU A 141 -3.502 -7.656 5.800 1.00 0.43 O ATOM 2257 CB LEU A 141 -3.260 -5.574 7.957 1.00 0.43 C ATOM 2258 CG LEU A 141 -2.504 -6.481 8.954 1.00 0.40 C ATOM 2259 CD1 LEU A 141 -2.576 -5.851 10.350 1.00 0.69 C ATOM 2260 CD2 LEU A 141 -3.125 -7.884 9.034 1.00 0.66 C ATOM 0 H LEU A 141 -4.457 -5.166 5.562 1.00 0.44 H new ATOM 0 HA LEU A 141 -1.676 -5.085 6.641 1.00 0.42 H new ATOM 0 HB2 LEU A 141 -3.281 -4.559 8.354 1.00 0.43 H new ATOM 0 HB3 LEU A 141 -4.294 -5.912 7.891 1.00 0.43 H new ATOM 0 HG LEU A 141 -1.475 -6.574 8.607 1.00 0.40 H new ATOM 0 HD11 LEU A 141 -2.045 -6.483 11.062 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.115 -4.863 10.328 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.619 -5.758 10.654 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.564 -8.490 9.746 1.00 0.66 H new ATOM 0 HD22 LEU A 141 -4.161 -7.805 9.362 1.00 0.66 H new ATOM 0 HD23 LEU A 141 -3.091 -8.354 8.051 1.00 0.66 H new ATOM 2272 N VAL A 142 -1.283 -7.251 5.562 1.00 0.38 N ATOM 2273 CA VAL A 142 -0.963 -8.491 4.904 1.00 0.40 C ATOM 2274 C VAL A 142 -0.644 -9.514 5.981 1.00 0.44 C ATOM 2275 O VAL A 142 0.118 -9.244 6.908 1.00 0.59 O ATOM 2276 CB VAL A 142 0.186 -8.305 3.910 1.00 0.53 C ATOM 2277 CG1 VAL A 142 0.255 -9.536 2.993 1.00 0.56 C ATOM 2278 CG2 VAL A 142 -0.003 -7.058 3.040 1.00 0.62 C ATOM 0 H VAL A 142 -0.475 -6.646 5.710 1.00 0.38 H new ATOM 0 HA VAL A 142 -1.808 -8.845 4.313 1.00 0.40 H new ATOM 0 HB VAL A 142 1.106 -8.184 4.482 1.00 0.53 H new ATOM 0 HG11 VAL A 142 1.071 -9.414 2.281 1.00 0.56 H new ATOM 0 HG12 VAL A 142 0.429 -10.428 3.594 1.00 0.56 H new ATOM 0 HG13 VAL A 142 -0.686 -9.640 2.453 1.00 0.56 H new ATOM 0 HG21 VAL A 142 0.835 -6.965 2.350 1.00 0.62 H new ATOM 0 HG22 VAL A 142 -0.931 -7.146 2.474 1.00 0.62 H new ATOM 0 HG23 VAL A 142 -0.048 -6.174 3.676 1.00 0.62 H new ATOM 2288 N GLY A 143 -1.262 -10.685 5.874 1.00 0.47 N ATOM 2289 CA GLY A 143 -0.953 -11.804 6.730 1.00 0.53 C ATOM 2290 C GLY A 143 0.438 -12.358 6.426 1.00 0.43 C ATOM 2291 O GLY A 143 1.163 -11.838 5.578 1.00 0.51 O ATOM 0 H GLY A 143 -1.991 -10.876 5.187 1.00 0.47 H new ATOM 0 HA2 GLY A 143 -1.005 -11.493 7.774 1.00 0.53 H new ATOM 0 HA3 GLY A 143 -1.698 -12.588 6.594 1.00 0.53 H new ATOM 2295 N PRO A 144 0.788 -13.460 7.096 1.00 0.55 N ATOM 2296 CA PRO A 144 2.085 -14.077 6.987 1.00 0.59 C ATOM 2297 C PRO A 144 2.218 -14.649 5.582 1.00 0.62 C ATOM 2298 O PRO A 144 3.076 -14.210 4.823 1.00 1.13 O ATOM 2299 CB PRO A 144 2.119 -15.117 8.108 1.00 0.82 C ATOM 2300 CG PRO A 144 0.656 -15.498 8.345 1.00 0.89 C ATOM 2301 CD PRO A 144 -0.133 -14.279 7.856 1.00 0.84 C ATOM 0 HA PRO A 144 2.934 -13.404 7.109 1.00 0.59 H new ATOM 0 HB2 PRO A 144 2.711 -15.986 7.821 1.00 0.82 H new ATOM 0 HB3 PRO A 144 2.571 -14.708 9.012 1.00 0.82 H new ATOM 0 HG2 PRO A 144 0.384 -16.397 7.792 1.00 0.89 H new ATOM 0 HG3 PRO A 144 0.463 -15.701 9.398 1.00 0.89 H new ATOM 0 HD2 PRO A 144 -0.976 -14.587 7.238 1.00 0.84 H new ATOM 0 HD3 PRO A 144 -0.542 -13.721 8.698 1.00 0.84 H new ATOM 2309 N ASP A 145 1.353 -15.590 5.208 1.00 0.75 N ATOM 2310 CA ASP A 145 1.431 -16.277 3.928 1.00 0.75 C ATOM 2311 C ASP A 145 0.649 -15.495 2.879 1.00 0.91 C ATOM 2312 O ASP A 145 -0.325 -15.983 2.309 1.00 1.98 O ATOM 2313 CB ASP A 145 1.031 -17.750 4.098 1.00 1.65 C ATOM 2314 CG ASP A 145 2.186 -18.515 4.727 1.00 3.10 C ATOM 2315 OD1 ASP A 145 2.764 -18.006 5.715 1.00 3.99 O ATOM 2316 OD2 ASP A 145 2.662 -19.510 4.136 1.00 4.53 O ATOM 0 H ASP A 145 0.574 -15.896 5.791 1.00 0.75 H new ATOM 0 HA ASP A 145 2.454 -16.309 3.554 1.00 0.75 H new ATOM 0 HB2 ASP A 145 0.143 -17.828 4.726 1.00 1.65 H new ATOM 0 HB3 ASP A 145 0.776 -18.184 3.131 1.00 1.65 H new ATOM 2321 N GLY A 146 1.117 -14.266 2.643 1.00 0.76 N ATOM 2322 CA GLY A 146 0.769 -13.423 1.507 1.00 0.81 C ATOM 2323 C GLY A 146 -0.725 -13.353 1.198 1.00 0.97 C ATOM 2324 O GLY A 146 -1.113 -13.404 0.032 1.00 1.72 O ATOM 0 H GLY A 146 1.781 -13.815 3.272 1.00 0.76 H new ATOM 0 HA2 GLY A 146 1.135 -12.414 1.695 1.00 0.81 H new ATOM 0 HA3 GLY A 146 1.292 -13.792 0.625 1.00 0.81 H new ATOM 2328 N LYS A 147 -1.565 -13.193 2.224 1.00 0.66 N ATOM 2329 CA LYS A 147 -2.982 -12.961 2.080 1.00 0.69 C ATOM 2330 C LYS A 147 -3.409 -11.868 3.050 1.00 0.57 C ATOM 2331 O LYS A 147 -3.069 -11.950 4.228 1.00 0.61 O ATOM 2332 CB LYS A 147 -3.750 -14.261 2.244 1.00 0.84 C ATOM 2333 CG LYS A 147 -3.641 -14.854 3.649 1.00 0.84 C ATOM 2334 CD LYS A 147 -3.672 -16.388 3.599 1.00 1.13 C ATOM 2335 CE LYS A 147 -3.650 -17.006 5.005 1.00 1.32 C ATOM 2336 NZ LYS A 147 -5.006 -17.198 5.564 1.00 2.07 N ATOM 0 H LYS A 147 -1.259 -13.224 3.197 1.00 0.66 H new ATOM 0 HA LYS A 147 -3.215 -12.606 1.076 1.00 0.69 H new ATOM 0 HB2 LYS A 147 -4.800 -14.086 2.011 1.00 0.84 H new ATOM 0 HB3 LYS A 147 -3.380 -14.988 1.521 1.00 0.84 H new ATOM 0 HG2 LYS A 147 -2.716 -14.520 4.118 1.00 0.84 H new ATOM 0 HG3 LYS A 147 -4.462 -14.489 4.267 1.00 0.84 H new ATOM 0 HD2 LYS A 147 -4.568 -16.716 3.072 1.00 1.13 H new ATOM 0 HD3 LYS A 147 -2.816 -16.750 3.029 1.00 1.13 H new ATOM 0 HE2 LYS A 147 -3.137 -17.967 4.967 1.00 1.32 H new ATOM 0 HE3 LYS A 147 -3.074 -16.364 5.671 1.00 1.32 H new ATOM 0 HZ1 LYS A 147 -4.966 -17.135 6.601 1.00 2.07 H new ATOM 0 HZ2 LYS A 147 -5.640 -16.460 5.197 1.00 2.07 H new ATOM 0 HZ3 LYS A 147 -5.366 -18.134 5.287 1.00 2.07 H new ATOM 2350 N VAL A 148 -4.112 -10.837 2.577 1.00 0.49 N ATOM 2351 CA VAL A 148 -4.529 -9.749 3.461 1.00 0.46 C ATOM 2352 C VAL A 148 -5.728 -10.172 4.291 1.00 0.47 C ATOM 2353 O VAL A 148 -6.596 -10.890 3.797 1.00 0.51 O ATOM 2354 CB VAL A 148 -4.816 -8.439 2.717 1.00 0.52 C ATOM 2355 CG1 VAL A 148 -3.532 -7.738 2.298 1.00 1.98 C ATOM 2356 CG2 VAL A 148 -5.637 -8.674 1.475 1.00 1.88 C ATOM 0 H VAL A 148 -4.400 -10.733 1.604 1.00 0.49 H new ATOM 0 HA VAL A 148 -3.687 -9.544 4.122 1.00 0.46 H new ATOM 0 HB VAL A 148 -5.370 -7.813 3.417 1.00 0.52 H new ATOM 0 HG11 VAL A 148 -3.776 -6.814 1.774 1.00 1.98 H new ATOM 0 HG12 VAL A 148 -2.938 -7.507 3.182 1.00 1.98 H new ATOM 0 HG13 VAL A 148 -2.961 -8.390 1.637 1.00 1.98 H new ATOM 0 HG21 VAL A 148 -5.820 -7.723 0.975 1.00 1.88 H new ATOM 0 HG22 VAL A 148 -5.097 -9.340 0.802 1.00 1.88 H new ATOM 0 HG23 VAL A 148 -6.589 -9.129 1.749 1.00 1.88 H new ATOM 2366 N LEU A 149 -5.736 -9.725 5.550 1.00 0.46 N ATOM 2367 CA LEU A 149 -6.732 -10.083 6.552 1.00 0.49 C ATOM 2368 C LEU A 149 -7.515 -8.864 7.033 1.00 0.51 C ATOM 2369 O LEU A 149 -8.557 -9.030 7.667 1.00 0.60 O ATOM 2370 CB LEU A 149 -6.023 -10.695 7.759 1.00 0.53 C ATOM 2371 CG LEU A 149 -5.355 -12.037 7.435 1.00 0.59 C ATOM 2372 CD1 LEU A 149 -4.028 -12.110 8.191 1.00 1.06 C ATOM 2373 CD2 LEU A 149 -6.268 -13.187 7.862 1.00 0.88 C ATOM 0 H LEU A 149 -5.026 -9.085 5.906 1.00 0.46 H new ATOM 0 HA LEU A 149 -7.427 -10.788 6.095 1.00 0.49 H new ATOM 0 HB2 LEU A 149 -5.269 -9.998 8.125 1.00 0.53 H new ATOM 0 HB3 LEU A 149 -6.743 -10.837 8.565 1.00 0.53 H new ATOM 0 HG LEU A 149 -5.176 -12.119 6.363 1.00 0.59 H new ATOM 0 HD11 LEU A 149 -3.537 -13.058 7.973 1.00 1.06 H new ATOM 0 HD12 LEU A 149 -3.385 -11.288 7.877 1.00 1.06 H new ATOM 0 HD13 LEU A 149 -4.215 -12.036 9.262 1.00 1.06 H new ATOM 0 HD21 LEU A 149 -5.788 -14.138 7.629 1.00 0.88 H new ATOM 0 HD22 LEU A 149 -6.452 -13.126 8.935 1.00 0.88 H new ATOM 0 HD23 LEU A 149 -7.215 -13.118 7.327 1.00 0.88 H new ATOM 2385 N LYS A 150 -7.007 -7.657 6.776 1.00 0.58 N ATOM 2386 CA LYS A 150 -7.703 -6.416 7.060 1.00 0.66 C ATOM 2387 C LYS A 150 -7.358 -5.337 6.032 1.00 0.71 C ATOM 2388 O LYS A 150 -6.274 -5.374 5.442 1.00 0.90 O ATOM 2389 CB LYS A 150 -7.350 -5.927 8.463 1.00 0.82 C ATOM 2390 CG LYS A 150 -8.236 -6.523 9.560 1.00 0.93 C ATOM 2391 CD LYS A 150 -8.102 -5.631 10.797 1.00 1.69 C ATOM 2392 CE LYS A 150 -9.102 -6.023 11.886 1.00 2.14 C ATOM 2393 NZ LYS A 150 -9.127 -5.015 12.963 1.00 3.60 N ATOM 0 H LYS A 150 -6.086 -7.520 6.359 1.00 0.58 H new ATOM 0 HA LYS A 150 -8.774 -6.611 7.002 1.00 0.66 H new ATOM 0 HB2 LYS A 150 -6.309 -6.174 8.674 1.00 0.82 H new ATOM 0 HB3 LYS A 150 -7.432 -4.840 8.491 1.00 0.82 H new ATOM 0 HG2 LYS A 150 -9.274 -6.569 9.231 1.00 0.93 H new ATOM 0 HG3 LYS A 150 -7.929 -7.544 9.788 1.00 0.93 H new ATOM 0 HD2 LYS A 150 -7.088 -5.704 11.190 1.00 1.69 H new ATOM 0 HD3 LYS A 150 -8.260 -4.590 10.514 1.00 1.69 H new ATOM 0 HE2 LYS A 150 -10.097 -6.123 11.453 1.00 2.14 H new ATOM 0 HE3 LYS A 150 -8.834 -6.996 12.299 1.00 2.14 H new ATOM 0 HZ1 LYS A 150 -9.972 -5.157 13.552 1.00 3.60 H new ATOM 0 HZ2 LYS A 150 -8.275 -5.114 13.551 1.00 3.60 H new ATOM 0 HZ3 LYS A 150 -9.152 -4.062 12.546 1.00 3.60 H new ATOM 2407 N ASP A 151 -8.269 -4.367 5.918 1.00 0.70 N ATOM 2408 CA ASP A 151 -8.183 -3.118 5.168 1.00 0.74 C ATOM 2409 C ASP A 151 -8.394 -1.982 6.184 1.00 1.00 C ATOM 2410 O ASP A 151 -8.507 -2.247 7.376 1.00 1.67 O ATOM 2411 CB ASP A 151 -9.237 -3.049 4.053 1.00 0.91 C ATOM 2412 CG ASP A 151 -9.112 -4.060 2.916 1.00 1.16 C ATOM 2413 OD1 ASP A 151 -8.570 -5.161 3.141 1.00 1.79 O ATOM 2414 OD2 ASP A 151 -9.571 -3.711 1.805 1.00 2.27 O ATOM 0 H ASP A 151 -9.168 -4.447 6.394 1.00 0.70 H new ATOM 0 HA ASP A 151 -7.214 -3.038 4.676 1.00 0.74 H new ATOM 0 HB2 ASP A 151 -10.220 -3.171 4.508 1.00 0.91 H new ATOM 0 HB3 ASP A 151 -9.208 -2.049 3.621 1.00 0.91 H new ATOM 2419 N TYR A 152 -8.359 -0.720 5.746 1.00 0.85 N ATOM 2420 CA TYR A 152 -8.919 0.441 6.442 1.00 0.91 C ATOM 2421 C TYR A 152 -9.020 1.558 5.399 1.00 0.95 C ATOM 2422 O TYR A 152 -8.376 1.461 4.353 1.00 1.12 O ATOM 2423 CB TYR A 152 -8.135 0.859 7.707 1.00 1.23 C ATOM 2424 CG TYR A 152 -8.539 0.129 8.979 1.00 1.30 C ATOM 2425 CD1 TYR A 152 -9.893 0.105 9.364 1.00 2.70 C ATOM 2426 CD2 TYR A 152 -7.606 -0.661 9.681 1.00 2.40 C ATOM 2427 CE1 TYR A 152 -10.339 -0.834 10.307 1.00 3.81 C ATOM 2428 CE2 TYR A 152 -8.052 -1.585 10.645 1.00 3.48 C ATOM 2429 CZ TYR A 152 -9.430 -1.738 10.875 1.00 3.93 C ATOM 2430 OH TYR A 152 -9.895 -2.739 11.684 1.00 5.42 O ATOM 0 H TYR A 152 -7.921 -0.470 4.859 1.00 0.85 H new ATOM 0 HA TYR A 152 -9.901 0.194 6.845 1.00 0.91 H new ATOM 0 HB2 TYR A 152 -7.073 0.691 7.531 1.00 1.23 H new ATOM 0 HB3 TYR A 152 -8.267 1.930 7.862 1.00 1.23 H new ATOM 0 HD1 TYR A 152 -10.589 0.810 8.933 1.00 2.70 H new ATOM 0 HD2 TYR A 152 -6.550 -0.557 9.479 1.00 2.40 H new ATOM 0 HE1 TYR A 152 -11.380 -0.860 10.594 1.00 3.81 H new ATOM 0 HE2 TYR A 152 -7.339 -2.173 11.205 1.00 3.48 H new ATOM 0 HH TYR A 152 -10.800 -2.991 11.405 1.00 5.42 H new ATOM 2440 N ASN A 153 -9.783 2.629 5.653 1.00 0.99 N ATOM 2441 CA ASN A 153 -9.993 3.672 4.669 1.00 1.21 C ATOM 2442 C ASN A 153 -10.159 5.033 5.347 1.00 1.79 C ATOM 2443 O ASN A 153 -11.184 5.698 5.217 1.00 3.10 O ATOM 2444 CB ASN A 153 -11.216 3.288 3.849 1.00 1.57 C ATOM 2445 CG ASN A 153 -11.175 4.040 2.533 1.00 2.24 C ATOM 2446 OD1 ASN A 153 -10.380 3.728 1.647 1.00 3.11 O ATOM 2447 ND2 ASN A 153 -11.971 5.088 2.425 1.00 2.22 N ATOM 0 H ASN A 153 -10.263 2.786 6.539 1.00 0.99 H new ATOM 0 HA ASN A 153 -9.128 3.765 4.012 1.00 1.21 H new ATOM 0 HB2 ASN A 153 -11.228 2.213 3.670 1.00 1.57 H new ATOM 0 HB3 ASN A 153 -12.128 3.531 4.394 1.00 1.57 H new ATOM 0 HD21 ASN A 153 -11.939 5.669 1.587 1.00 2.22 H new ATOM 0 HD22 ASN A 153 -12.618 5.317 3.180 1.00 2.22 H new ATOM 2520 N PRO A 159 -14.366 1.184 5.309 1.00 1.33 N ATOM 2521 CA PRO A 159 -13.084 0.688 5.774 1.00 1.04 C ATOM 2522 C PRO A 159 -12.487 -0.361 4.850 1.00 1.05 C ATOM 2523 O PRO A 159 -11.268 -0.466 4.783 1.00 1.32 O ATOM 2524 CB PRO A 159 -13.318 0.169 7.194 1.00 1.06 C ATOM 2525 CG PRO A 159 -14.793 -0.223 7.181 1.00 1.05 C ATOM 2526 CD PRO A 159 -15.415 0.794 6.222 1.00 1.30 C ATOM 0 HA PRO A 159 -12.339 1.484 5.774 1.00 1.04 H new ATOM 0 HB2 PRO A 159 -12.677 -0.682 7.423 1.00 1.06 H new ATOM 0 HB3 PRO A 159 -13.111 0.934 7.942 1.00 1.06 H new ATOM 0 HG2 PRO A 159 -14.935 -1.246 6.831 1.00 1.05 H new ATOM 0 HG3 PRO A 159 -15.235 -0.162 8.175 1.00 1.05 H new ATOM 0 HD2 PRO A 159 -16.256 0.357 5.684 1.00 1.30 H new ATOM 0 HD3 PRO A 159 -15.798 1.657 6.766 1.00 1.30 H new ATOM 2534 N TYR A 160 -13.341 -1.091 4.135 1.00 1.05 N ATOM 2535 CA TYR A 160 -13.056 -2.123 3.172 1.00 1.28 C ATOM 2536 C TYR A 160 -12.828 -3.485 3.802 1.00 1.47 C ATOM 2537 O TYR A 160 -13.024 -4.458 3.089 1.00 1.61 O ATOM 2538 CB TYR A 160 -11.953 -1.735 2.192 1.00 1.66 C ATOM 2539 CG TYR A 160 -12.265 -0.670 1.164 1.00 1.74 C ATOM 2540 CD1 TYR A 160 -13.088 -1.032 0.087 1.00 2.81 C ATOM 2541 CD2 TYR A 160 -11.379 0.415 1.011 1.00 2.14 C ATOM 2542 CE1 TYR A 160 -12.820 -0.542 -1.196 1.00 3.10 C ATOM 2543 CE2 TYR A 160 -11.205 1.003 -0.255 1.00 2.43 C ATOM 2544 CZ TYR A 160 -11.880 0.485 -1.372 1.00 2.47 C ATOM 2545 OH TYR A 160 -11.368 0.684 -2.622 1.00 3.08 O ATOM 0 H TYR A 160 -14.346 -0.951 4.235 1.00 1.05 H new ATOM 0 HA TYR A 160 -13.965 -2.222 2.578 1.00 1.28 H new ATOM 0 HB2 TYR A 160 -11.093 -1.399 2.772 1.00 1.66 H new ATOM 0 HB3 TYR A 160 -11.647 -2.635 1.659 1.00 1.66 H new ATOM 0 HD1 TYR A 160 -13.929 -1.690 0.248 1.00 2.81 H new ATOM 0 HD2 TYR A 160 -10.835 0.794 1.863 1.00 2.14 H new ATOM 0 HE1 TYR A 160 -13.336 -0.954 -2.050 1.00 3.10 H new ATOM 0 HE2 TYR A 160 -10.551 1.855 -0.368 1.00 2.43 H new ATOM 0 HH TYR A 160 -10.730 1.427 -2.600 1.00 3.08 H new ATOM 2555 N ASP A 161 -12.590 -3.615 5.112 1.00 1.63 N ATOM 2556 CA ASP A 161 -12.586 -4.933 5.744 1.00 1.97 C ATOM 2557 C ASP A 161 -13.906 -5.630 5.421 1.00 1.67 C ATOM 2558 O ASP A 161 -13.960 -6.765 4.957 1.00 1.71 O ATOM 2559 CB ASP A 161 -12.492 -4.806 7.267 1.00 2.53 C ATOM 2560 CG ASP A 161 -11.280 -4.048 7.769 1.00 3.03 C ATOM 2561 OD1 ASP A 161 -10.199 -4.671 7.821 1.00 3.40 O ATOM 2562 OD2 ASP A 161 -11.473 -2.865 8.127 1.00 3.86 O ATOM 0 H ASP A 161 -12.401 -2.837 5.743 1.00 1.63 H new ATOM 0 HA ASP A 161 -11.729 -5.495 5.371 1.00 1.97 H new ATOM 0 HB2 ASP A 161 -13.391 -4.309 7.632 1.00 2.53 H new ATOM 0 HB3 ASP A 161 -12.483 -5.806 7.701 1.00 2.53 H new ATOM 2567 N ASP A 162 -14.971 -4.871 5.654 1.00 1.48 N ATOM 2568 CA ASP A 162 -16.361 -5.207 5.460 1.00 1.49 C ATOM 2569 C ASP A 162 -16.607 -5.537 3.991 1.00 1.13 C ATOM 2570 O ASP A 162 -17.059 -6.627 3.651 1.00 1.26 O ATOM 2571 CB ASP A 162 -17.219 -4.015 5.941 1.00 1.67 C ATOM 2572 CG ASP A 162 -16.889 -2.654 5.314 1.00 2.15 C ATOM 2573 OD1 ASP A 162 -15.758 -2.506 4.785 1.00 3.48 O ATOM 2574 OD2 ASP A 162 -17.767 -1.771 5.371 1.00 2.69 O ATOM 0 H ASP A 162 -14.865 -3.923 6.015 1.00 1.48 H new ATOM 0 HA ASP A 162 -16.637 -6.088 6.039 1.00 1.49 H new ATOM 0 HB2 ASP A 162 -18.266 -4.242 5.739 1.00 1.67 H new ATOM 0 HB3 ASP A 162 -17.114 -3.930 7.023 1.00 1.67 H new ATOM 2579 N ILE A 163 -16.301 -4.582 3.119 1.00 0.96 N ATOM 2580 CA ILE A 163 -16.626 -4.652 1.703 1.00 1.02 C ATOM 2581 C ILE A 163 -15.857 -5.812 1.068 1.00 0.99 C ATOM 2582 O ILE A 163 -16.444 -6.687 0.434 1.00 1.07 O ATOM 2583 CB ILE A 163 -16.327 -3.307 1.024 1.00 1.22 C ATOM 2584 CG1 ILE A 163 -17.157 -2.166 1.646 1.00 1.38 C ATOM 2585 CG2 ILE A 163 -16.600 -3.359 -0.486 1.00 1.66 C ATOM 2586 CD1 ILE A 163 -16.318 -0.910 1.902 1.00 1.56 C ATOM 0 H ILE A 163 -15.813 -3.726 3.382 1.00 0.96 H new ATOM 0 HA ILE A 163 -17.691 -4.843 1.568 1.00 1.02 H new ATOM 0 HB ILE A 163 -15.267 -3.110 1.185 1.00 1.22 H new ATOM 0 HG12 ILE A 163 -17.985 -1.918 0.982 1.00 1.38 H new ATOM 0 HG13 ILE A 163 -17.593 -2.507 2.585 1.00 1.38 H new ATOM 0 HG21 ILE A 163 -16.377 -2.389 -0.930 1.00 1.66 H new ATOM 0 HG22 ILE A 163 -15.970 -4.121 -0.944 1.00 1.66 H new ATOM 0 HG23 ILE A 163 -17.648 -3.604 -0.658 1.00 1.66 H new ATOM 0 HD11 ILE A 163 -16.947 -0.135 2.340 1.00 1.56 H new ATOM 0 HD12 ILE A 163 -15.505 -1.149 2.588 1.00 1.56 H new ATOM 0 HD13 ILE A 163 -15.904 -0.551 0.960 1.00 1.56 H new ATOM 2598 N ILE A 164 -14.533 -5.833 1.223 1.00 1.08 N ATOM 2599 CA ILE A 164 -13.702 -6.889 0.697 1.00 1.31 C ATOM 2600 C ILE A 164 -14.110 -8.224 1.318 1.00 1.23 C ATOM 2601 O ILE A 164 -14.279 -9.165 0.553 1.00 1.28 O ATOM 2602 CB ILE A 164 -12.222 -6.508 0.845 1.00 1.67 C ATOM 2603 CG1 ILE A 164 -11.779 -5.558 -0.277 1.00 2.00 C ATOM 2604 CG2 ILE A 164 -11.281 -7.712 0.840 1.00 1.98 C ATOM 2605 CD1 ILE A 164 -12.728 -4.408 -0.603 1.00 1.86 C ATOM 0 H ILE A 164 -14.015 -5.109 1.721 1.00 1.08 H new ATOM 0 HA ILE A 164 -13.852 -7.020 -0.375 1.00 1.31 H new ATOM 0 HB ILE A 164 -12.152 -6.020 1.817 1.00 1.67 H new ATOM 0 HG12 ILE A 164 -10.811 -5.136 -0.006 1.00 2.00 H new ATOM 0 HG13 ILE A 164 -11.629 -6.145 -1.183 1.00 2.00 H new ATOM 0 HG21 ILE A 164 -10.252 -7.370 0.948 1.00 1.98 H new ATOM 0 HG22 ILE A 164 -11.532 -8.374 1.669 1.00 1.98 H new ATOM 0 HG23 ILE A 164 -11.387 -8.252 -0.101 1.00 1.98 H new ATOM 0 HD11 ILE A 164 -12.308 -3.807 -1.410 1.00 1.86 H new ATOM 0 HD12 ILE A 164 -13.693 -4.809 -0.914 1.00 1.86 H new ATOM 0 HD13 ILE A 164 -12.862 -3.785 0.281 1.00 1.86 H new ATOM 2617 N SER A 165 -14.327 -8.330 2.636 1.00 1.26 N ATOM 2618 CA SER A 165 -14.871 -9.556 3.226 1.00 1.45 C ATOM 2619 C SER A 165 -16.120 -10.003 2.468 1.00 1.25 C ATOM 2620 O SER A 165 -16.181 -11.143 2.007 1.00 1.31 O ATOM 2621 CB SER A 165 -15.199 -9.358 4.716 1.00 1.82 C ATOM 2622 OG SER A 165 -15.871 -10.482 5.258 1.00 2.73 O ATOM 0 H SER A 165 -14.135 -7.587 3.308 1.00 1.26 H new ATOM 0 HA SER A 165 -14.110 -10.332 3.146 1.00 1.45 H new ATOM 0 HB2 SER A 165 -14.278 -9.182 5.271 1.00 1.82 H new ATOM 0 HB3 SER A 165 -15.819 -8.470 4.837 1.00 1.82 H new ATOM 0 HG SER A 165 -15.782 -10.477 6.234 1.00 2.73 H new ATOM 2628 N ASP A 166 -17.105 -9.114 2.304 1.00 1.15 N ATOM 2629 CA ASP A 166 -18.350 -9.472 1.632 1.00 1.29 C ATOM 2630 C ASP A 166 -18.076 -9.991 0.218 1.00 1.22 C ATOM 2631 O ASP A 166 -18.441 -11.115 -0.136 1.00 1.35 O ATOM 2632 CB ASP A 166 -19.300 -8.272 1.614 1.00 1.43 C ATOM 2633 CG ASP A 166 -20.532 -8.588 0.778 1.00 1.76 C ATOM 2634 OD1 ASP A 166 -21.460 -9.205 1.341 1.00 2.62 O ATOM 2635 OD2 ASP A 166 -20.505 -8.235 -0.420 1.00 2.38 O ATOM 0 H ASP A 166 -17.061 -8.147 2.627 1.00 1.15 H new ATOM 0 HA ASP A 166 -18.830 -10.278 2.187 1.00 1.29 H new ATOM 0 HB2 ASP A 166 -19.597 -8.019 2.632 1.00 1.43 H new ATOM 0 HB3 ASP A 166 -18.789 -7.400 1.206 1.00 1.43 H new ATOM 2640 N VAL A 167 -17.382 -9.189 -0.588 1.00 1.17 N ATOM 2641 CA VAL A 167 -17.128 -9.519 -1.977 1.00 1.35 C ATOM 2642 C VAL A 167 -16.306 -10.811 -2.085 1.00 1.29 C ATOM 2643 O VAL A 167 -16.593 -11.652 -2.933 1.00 1.44 O ATOM 2644 CB VAL A 167 -16.481 -8.316 -2.686 1.00 1.53 C ATOM 2645 CG1 VAL A 167 -16.155 -8.648 -4.146 1.00 1.87 C ATOM 2646 CG2 VAL A 167 -17.437 -7.114 -2.697 1.00 1.70 C ATOM 0 H VAL A 167 -16.984 -8.298 -0.292 1.00 1.17 H new ATOM 0 HA VAL A 167 -18.068 -9.721 -2.491 1.00 1.35 H new ATOM 0 HB VAL A 167 -15.569 -8.079 -2.138 1.00 1.53 H new ATOM 0 HG11 VAL A 167 -15.699 -7.781 -4.623 1.00 1.87 H new ATOM 0 HG12 VAL A 167 -15.462 -9.488 -4.182 1.00 1.87 H new ATOM 0 HG13 VAL A 167 -17.072 -8.911 -4.673 1.00 1.87 H new ATOM 0 HG21 VAL A 167 -16.960 -6.274 -3.203 1.00 1.70 H new ATOM 0 HG22 VAL A 167 -18.353 -7.382 -3.224 1.00 1.70 H new ATOM 0 HG23 VAL A 167 -17.678 -6.831 -1.672 1.00 1.70 H new ATOM 2656 N LYS A 168 -15.272 -10.990 -1.259 1.00 1.20 N ATOM 2657 CA LYS A 168 -14.446 -12.195 -1.248 1.00 1.32 C ATOM 2658 C LYS A 168 -15.246 -13.410 -0.783 1.00 1.32 C ATOM 2659 O LYS A 168 -15.073 -14.494 -1.344 1.00 1.43 O ATOM 2660 CB LYS A 168 -13.184 -11.985 -0.402 1.00 1.49 C ATOM 2661 CG LYS A 168 -11.980 -11.443 -1.196 1.00 1.94 C ATOM 2662 CD LYS A 168 -12.205 -10.136 -1.980 1.00 2.09 C ATOM 2663 CE LYS A 168 -12.604 -10.350 -3.451 1.00 2.59 C ATOM 2664 NZ LYS A 168 -12.692 -9.082 -4.204 1.00 3.34 N ATOM 0 H LYS A 168 -14.983 -10.293 -0.572 1.00 1.20 H new ATOM 0 HA LYS A 168 -14.125 -12.395 -2.270 1.00 1.32 H new ATOM 0 HB2 LYS A 168 -13.413 -11.293 0.408 1.00 1.49 H new ATOM 0 HB3 LYS A 168 -12.906 -12.933 0.058 1.00 1.49 H new ATOM 0 HG2 LYS A 168 -11.156 -11.286 -0.500 1.00 1.94 H new ATOM 0 HG3 LYS A 168 -11.661 -12.212 -1.900 1.00 1.94 H new ATOM 0 HD2 LYS A 168 -12.983 -9.556 -1.484 1.00 2.09 H new ATOM 0 HD3 LYS A 168 -11.292 -9.541 -1.944 1.00 2.09 H new ATOM 0 HE2 LYS A 168 -11.875 -11.004 -3.930 1.00 2.59 H new ATOM 0 HE3 LYS A 168 -13.566 -10.861 -3.492 1.00 2.59 H new ATOM 0 HZ1 LYS A 168 -12.813 -9.287 -5.216 1.00 3.34 H new ATOM 0 HZ2 LYS A 168 -13.506 -8.531 -3.863 1.00 3.34 H new ATOM 0 HZ3 LYS A 168 -11.820 -8.534 -4.063 1.00 3.34 H new ATOM 2678 N SER A 169 -16.128 -13.230 0.202 1.00 1.33 N ATOM 2679 CA SER A 169 -17.077 -14.249 0.617 1.00 1.58 C ATOM 2680 C SER A 169 -17.861 -14.710 -0.607 1.00 1.62 C ATOM 2681 O SER A 169 -17.754 -15.871 -1.008 1.00 1.75 O ATOM 2682 CB SER A 169 -17.967 -13.742 1.763 1.00 1.84 C ATOM 2683 OG SER A 169 -18.765 -14.795 2.267 1.00 2.29 O ATOM 0 H SER A 169 -16.199 -12.363 0.735 1.00 1.33 H new ATOM 0 HA SER A 169 -16.554 -15.115 1.024 1.00 1.58 H new ATOM 0 HB2 SER A 169 -17.347 -13.333 2.560 1.00 1.84 H new ATOM 0 HB3 SER A 169 -18.604 -12.932 1.407 1.00 1.84 H new ATOM 0 HG SER A 169 -19.326 -14.460 2.997 1.00 2.29 H new ATOM 2689 N ALA A 170 -18.564 -13.767 -1.241 1.00 1.63 N ATOM 2690 CA ALA A 170 -19.330 -14.000 -2.456 1.00 1.88 C ATOM 2691 C ALA A 170 -18.472 -14.633 -3.554 1.00 1.86 C ATOM 2692 O ALA A 170 -18.954 -15.497 -4.280 1.00 2.07 O ATOM 2693 CB ALA A 170 -19.956 -12.685 -2.930 1.00 2.04 C ATOM 0 H ALA A 170 -18.614 -12.803 -0.912 1.00 1.63 H new ATOM 0 HA ALA A 170 -20.126 -14.710 -2.231 1.00 1.88 H new ATOM 0 HB1 ALA A 170 -20.529 -12.862 -3.840 1.00 2.04 H new ATOM 0 HB2 ALA A 170 -20.617 -12.296 -2.155 1.00 2.04 H new ATOM 0 HB3 ALA A 170 -19.168 -11.959 -3.133 1.00 2.04 H new ATOM 2699 N SER A 171 -17.210 -14.205 -3.686 1.00 1.74 N ATOM 2700 CA SER A 171 -16.295 -14.772 -4.664 1.00 1.88 C ATOM 2701 C SER A 171 -16.115 -16.270 -4.422 1.00 1.84 C ATOM 2702 O SER A 171 -16.470 -17.064 -5.288 1.00 2.09 O ATOM 2703 CB SER A 171 -14.943 -14.044 -4.683 1.00 2.13 C ATOM 2704 OG SER A 171 -15.098 -12.664 -4.958 1.00 2.36 O ATOM 0 H SER A 171 -16.804 -13.461 -3.119 1.00 1.74 H new ATOM 0 HA SER A 171 -16.739 -14.632 -5.649 1.00 1.88 H new ATOM 0 HB2 SER A 171 -14.448 -14.170 -3.720 1.00 2.13 H new ATOM 0 HB3 SER A 171 -14.297 -14.495 -5.436 1.00 2.13 H new ATOM 0 HG SER A 171 -15.581 -12.236 -4.221 1.00 2.36 H new ATOM 2710 N THR A 172 -15.521 -16.649 -3.282 1.00 1.77 N ATOM 2711 CA THR A 172 -15.213 -18.030 -2.921 1.00 1.89 C ATOM 2712 C THR A 172 -14.427 -17.995 -1.617 1.00 2.06 C ATOM 2713 O THR A 172 -13.369 -18.611 -1.496 1.00 2.06 O ATOM 2714 CB THR A 172 -14.464 -18.770 -4.045 1.00 2.33 C ATOM 2715 OG1 THR A 172 -14.018 -20.047 -3.632 1.00 3.10 O ATOM 2716 CG2 THR A 172 -13.266 -17.980 -4.582 1.00 3.30 C ATOM 0 H THR A 172 -15.235 -15.979 -2.568 1.00 1.77 H new ATOM 0 HA THR A 172 -16.133 -18.597 -2.781 1.00 1.89 H new ATOM 0 HB THR A 172 -15.194 -18.881 -4.847 1.00 2.33 H new ATOM 0 HG1 THR A 172 -13.547 -19.968 -2.776 1.00 3.10 H new ATOM 0 HG21 THR A 172 -12.778 -18.551 -5.371 1.00 3.30 H new ATOM 0 HG22 THR A 172 -13.609 -17.027 -4.983 1.00 3.30 H new ATOM 0 HG23 THR A 172 -12.557 -17.799 -3.774 1.00 3.30 H new