USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1090 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 120 SER OG : rot -81:sc= 0.142 USER MOD Set 1.2: A 122 GLN : amide:sc= -0.39 X(o=-0.25,f=0.14) USER MOD Set 2.1: A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 125 ASN : amide:sc= 0.125 K(o=0.13,f=-0.9) USER MOD Set 3.1: A 13 ASN : amide:sc= 1.04 K(o=3.2,f=-1.4) USER MOD Set 3.2: A 46 TYR OH : rot 55:sc= 2.18 USER MOD Set 4.1: A 23 SER OG : rot 73:sc= 1.8 USER MOD Set 4.2: A 26 SER OG : rot 78:sc= 0.945 USER MOD Set 4.3: A 66 HIS : no HD1:sc= 0.652 K(o=3.4,f=-2.6!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.165 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 73:sc= 0.546 USER MOD Single : A 18 SER OG : rot 119:sc= 1.28 USER MOD Single : A 19 GLN : amide:sc= -0.495 K(o=-0.5,f=-1.2) USER MOD Single : A 21 SER OG : rot -170:sc= -2.36! USER MOD Single : A 24 SER OG : rot 78:sc= 1.25 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.529 K(o=-0.53,f=-1.5) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00771) USER MOD Single : A 42 MET CE :methyl -167:sc= -0.679 (180deg=-1.34) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 0.67 (180deg=0.668) USER MOD Single : A 47 MET CE :methyl 148:sc= -0.897 (180deg=-2.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.191 K(o=0.19,f=-6.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= 2.03 (180deg=1.15) USER MOD Single : A 62 TYR OH : rot -130:sc= -0.155 USER MOD Single : A 64 MET CE :methyl -123:sc= -0.193 (180deg=-0.818) USER MOD Single : A 65 ASN : amide:sc= -0.419 K(o=-0.42,f=-1.2) USER MOD Single : A 69 GLN : amide:sc= 0.366 K(o=0.37,f=-5.6!) USER MOD Single : A 70 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.18) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0731) USER MOD Single : A 74 GLN : amide:sc=-0.00153 K(o=-0.0015,f=-0.66) USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= 1.35 (180deg=1.18) USER MOD Single : A 78 GLN : amide:sc= -0.991 K(o=-0.99,f=-2!) USER MOD Single : A 80 GLN : amide:sc= -1.91! X(o=-1.9!,f=-1.5) USER MOD Single : A 82 SER OG : rot 81:sc= 1.11 USER MOD Single : A 85 LYS NZ :NH3+ -158:sc= 1.27 (180deg=0.165) USER MOD Single : A 95 ASN : amide:sc= -0.527 K(o=-0.53,f=-1.6) USER MOD Single : A 96 GLN : amide:sc= 0.146 K(o=0.15,f=-0.37) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -172:sc= 1.11 (180deg=0.972) USER MOD Single : A 107 SER OG : rot 70:sc= 1.05 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.23) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 SER OG : rot 59:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 7 14.808 -5.578 -7.020 1.00 0.63 N ATOM 69 CA GLN A 7 15.091 -5.225 -5.629 1.00 0.61 C ATOM 70 C GLN A 7 13.812 -5.154 -4.791 1.00 0.52 C ATOM 71 O GLN A 7 13.640 -5.908 -3.836 1.00 0.61 O ATOM 72 CB GLN A 7 15.828 -3.884 -5.569 1.00 0.75 C ATOM 73 CG GLN A 7 17.332 -4.015 -5.388 1.00 1.58 C ATOM 74 CD GLN A 7 18.060 -2.699 -5.581 1.00 2.04 C ATOM 75 OE1 GLN A 7 18.203 -1.912 -4.645 1.00 2.40 O ATOM 76 NE2 GLN A 7 18.531 -2.453 -6.796 1.00 2.75 N ATOM 0 HA GLN A 7 15.722 -6.009 -5.210 1.00 0.61 H new ATOM 0 HB2 GLN A 7 15.629 -3.330 -6.486 1.00 0.75 H new ATOM 0 HB3 GLN A 7 15.423 -3.294 -4.747 1.00 0.75 H new ATOM 0 HG2 GLN A 7 17.542 -4.399 -4.390 1.00 1.58 H new ATOM 0 HG3 GLN A 7 17.717 -4.747 -6.098 1.00 1.58 H new ATOM 0 HE21 GLN A 7 18.391 -3.132 -7.544 1.00 2.75 H new ATOM 0 HE22 GLN A 7 19.033 -1.585 -6.982 1.00 2.75 H new ATOM 85 N PHE A 8 12.913 -4.256 -5.169 1.00 0.49 N ATOM 86 CA PHE A 8 11.656 -4.074 -4.449 1.00 0.45 C ATOM 87 C PHE A 8 10.741 -5.285 -4.620 1.00 0.44 C ATOM 88 O PHE A 8 10.127 -5.758 -3.662 1.00 0.42 O ATOM 89 CB PHE A 8 10.957 -2.810 -4.958 1.00 0.51 C ATOM 90 CG PHE A 8 9.609 -2.554 -4.343 1.00 0.48 C ATOM 91 CD1 PHE A 8 9.504 -2.079 -3.047 1.00 0.89 C ATOM 92 CD2 PHE A 8 8.451 -2.774 -5.069 1.00 0.88 C ATOM 93 CE1 PHE A 8 8.267 -1.829 -2.484 1.00 0.91 C ATOM 94 CE2 PHE A 8 7.212 -2.528 -4.512 1.00 0.90 C ATOM 95 CZ PHE A 8 7.119 -2.053 -3.219 1.00 0.55 C ATOM 0 H PHE A 8 13.030 -3.639 -5.973 1.00 0.49 H new ATOM 0 HA PHE A 8 11.876 -3.970 -3.387 1.00 0.45 H new ATOM 0 HB2 PHE A 8 11.600 -1.951 -4.764 1.00 0.51 H new ATOM 0 HB3 PHE A 8 10.841 -2.884 -6.039 1.00 0.51 H new ATOM 0 HD1 PHE A 8 10.399 -1.902 -2.469 1.00 0.89 H new ATOM 0 HD2 PHE A 8 8.518 -3.142 -6.082 1.00 0.88 H new ATOM 0 HE1 PHE A 8 8.198 -1.459 -1.472 1.00 0.91 H new ATOM 0 HE2 PHE A 8 6.316 -2.707 -5.087 1.00 0.90 H new ATOM 0 HZ PHE A 8 6.151 -1.857 -2.783 1.00 0.55 H new ATOM 105 N THR A 9 10.676 -5.791 -5.842 1.00 0.50 N ATOM 106 CA THR A 9 9.828 -6.925 -6.179 1.00 0.56 C ATOM 107 C THR A 9 10.171 -8.186 -5.380 1.00 0.56 C ATOM 108 O THR A 9 9.275 -8.888 -4.908 1.00 0.60 O ATOM 109 CB THR A 9 9.945 -7.222 -7.679 1.00 0.67 C ATOM 110 OG1 THR A 9 10.711 -6.178 -8.304 1.00 0.76 O ATOM 111 CG2 THR A 9 8.575 -7.311 -8.334 1.00 0.86 C ATOM 0 H THR A 9 11.211 -5.426 -6.630 1.00 0.50 H new ATOM 0 HA THR A 9 8.806 -6.650 -5.919 1.00 0.56 H new ATOM 0 HB THR A 9 10.441 -8.184 -7.805 1.00 0.67 H new ATOM 0 HG1 THR A 9 10.792 -6.361 -9.263 1.00 0.76 H new ATOM 0 HG21 THR A 9 8.693 -7.522 -9.397 1.00 0.86 H new ATOM 0 HG22 THR A 9 8.000 -8.110 -7.867 1.00 0.86 H new ATOM 0 HG23 THR A 9 8.050 -6.364 -8.209 1.00 0.86 H new ATOM 119 N THR A 10 11.460 -8.469 -5.220 1.00 0.57 N ATOM 120 CA THR A 10 11.891 -9.656 -4.492 1.00 0.63 C ATOM 121 C THR A 10 11.651 -9.506 -2.988 1.00 0.58 C ATOM 122 O THR A 10 11.542 -10.501 -2.267 1.00 0.66 O ATOM 123 CB THR A 10 13.382 -9.983 -4.781 1.00 0.71 C ATOM 124 OG1 THR A 10 13.559 -11.402 -4.913 1.00 1.42 O ATOM 125 CG2 THR A 10 14.308 -9.450 -3.690 1.00 1.31 C ATOM 0 H THR A 10 12.221 -7.895 -5.583 1.00 0.57 H new ATOM 0 HA THR A 10 11.287 -10.492 -4.846 1.00 0.63 H new ATOM 0 HB THR A 10 13.648 -9.488 -5.715 1.00 0.71 H new ATOM 0 HG1 THR A 10 14.501 -11.598 -5.097 1.00 1.42 H new ATOM 0 HG21 THR A 10 15.340 -9.702 -3.934 1.00 1.31 H new ATOM 0 HG22 THR A 10 14.205 -8.367 -3.622 1.00 1.31 H new ATOM 0 HG23 THR A 10 14.041 -9.900 -2.734 1.00 1.31 H new ATOM 133 N LYS A 11 11.544 -8.265 -2.520 1.00 0.51 N ATOM 134 CA LYS A 11 11.309 -8.007 -1.105 1.00 0.50 C ATOM 135 C LYS A 11 9.903 -8.438 -0.713 1.00 0.48 C ATOM 136 O LYS A 11 9.690 -8.975 0.372 1.00 0.52 O ATOM 137 CB LYS A 11 11.522 -6.525 -0.778 1.00 0.50 C ATOM 138 CG LYS A 11 12.986 -6.126 -0.679 1.00 0.59 C ATOM 139 CD LYS A 11 13.659 -6.766 0.525 1.00 0.80 C ATOM 140 CE LYS A 11 15.140 -6.428 0.580 1.00 1.06 C ATOM 141 NZ LYS A 11 15.812 -7.078 1.736 1.00 1.30 N ATOM 0 H LYS A 11 11.616 -7.427 -3.098 1.00 0.51 H new ATOM 0 HA LYS A 11 12.027 -8.591 -0.529 1.00 0.50 H new ATOM 0 HB2 LYS A 11 11.041 -5.920 -1.546 1.00 0.50 H new ATOM 0 HB3 LYS A 11 11.027 -6.295 0.166 1.00 0.50 H new ATOM 0 HG2 LYS A 11 13.507 -6.423 -1.589 1.00 0.59 H new ATOM 0 HG3 LYS A 11 13.064 -5.041 -0.607 1.00 0.59 H new ATOM 0 HD2 LYS A 11 13.173 -6.425 1.439 1.00 0.80 H new ATOM 0 HD3 LYS A 11 13.533 -7.848 0.481 1.00 0.80 H new ATOM 0 HE2 LYS A 11 15.620 -6.746 -0.345 1.00 1.06 H new ATOM 0 HE3 LYS A 11 15.264 -5.347 0.648 1.00 1.06 H new ATOM 0 HZ1 LYS A 11 16.820 -6.824 1.739 1.00 1.30 H new ATOM 0 HZ2 LYS A 11 15.371 -6.755 2.621 1.00 1.30 H new ATOM 0 HZ3 LYS A 11 15.716 -8.111 1.658 1.00 1.30 H new ATOM 155 N LEU A 12 8.954 -8.233 -1.622 1.00 0.47 N ATOM 156 CA LEU A 12 7.561 -8.603 -1.381 1.00 0.50 C ATOM 157 C LEU A 12 7.421 -10.114 -1.243 1.00 0.56 C ATOM 158 O LEU A 12 6.539 -10.612 -0.544 1.00 0.65 O ATOM 159 CB LEU A 12 6.673 -8.104 -2.526 1.00 0.54 C ATOM 160 CG LEU A 12 5.958 -6.772 -2.282 1.00 0.66 C ATOM 161 CD1 LEU A 12 4.926 -6.911 -1.172 1.00 1.57 C ATOM 162 CD2 LEU A 12 6.956 -5.672 -1.951 1.00 0.84 C ATOM 0 H LEU A 12 9.124 -7.811 -2.535 1.00 0.47 H new ATOM 0 HA LEU A 12 7.241 -8.135 -0.450 1.00 0.50 H new ATOM 0 HB2 LEU A 12 7.287 -8.007 -3.421 1.00 0.54 H new ATOM 0 HB3 LEU A 12 5.922 -8.865 -2.736 1.00 0.54 H new ATOM 0 HG LEU A 12 5.440 -6.494 -3.200 1.00 0.66 H new ATOM 0 HD11 LEU A 12 4.430 -5.953 -1.015 1.00 1.57 H new ATOM 0 HD12 LEU A 12 4.187 -7.661 -1.454 1.00 1.57 H new ATOM 0 HD13 LEU A 12 5.421 -7.218 -0.251 1.00 1.57 H new ATOM 0 HD21 LEU A 12 6.423 -4.736 -1.782 1.00 0.84 H new ATOM 0 HD22 LEU A 12 7.510 -5.942 -1.052 1.00 0.84 H new ATOM 0 HD23 LEU A 12 7.651 -5.549 -2.782 1.00 0.84 H new ATOM 174 N ASN A 13 8.312 -10.837 -1.909 1.00 0.60 N ATOM 175 CA ASN A 13 8.307 -12.293 -1.873 1.00 0.71 C ATOM 176 C ASN A 13 8.937 -12.808 -0.583 1.00 0.72 C ATOM 177 O ASN A 13 8.842 -13.993 -0.267 1.00 0.87 O ATOM 178 CB ASN A 13 9.065 -12.863 -3.079 1.00 0.82 C ATOM 179 CG ASN A 13 8.237 -12.867 -4.356 1.00 1.14 C ATOM 180 OD1 ASN A 13 7.307 -12.078 -4.516 1.00 1.53 O ATOM 181 ND2 ASN A 13 8.579 -13.752 -5.282 1.00 1.59 N ATOM 0 H ASN A 13 9.052 -10.435 -2.484 1.00 0.60 H new ATOM 0 HA ASN A 13 7.269 -12.624 -1.913 1.00 0.71 H new ATOM 0 HB2 ASN A 13 9.970 -12.278 -3.242 1.00 0.82 H new ATOM 0 HB3 ASN A 13 9.380 -13.882 -2.854 1.00 0.82 H new ATOM 0 HD21 ASN A 13 8.065 -13.794 -6.162 1.00 1.59 H new ATOM 0 HD22 ASN A 13 9.356 -14.391 -5.114 1.00 1.59 H new ATOM 188 N THR A 14 9.565 -11.912 0.166 1.00 0.67 N ATOM 189 CA THR A 14 10.214 -12.282 1.413 1.00 0.74 C ATOM 190 C THR A 14 9.691 -11.441 2.578 1.00 0.68 C ATOM 191 O THR A 14 10.437 -11.082 3.491 1.00 0.81 O ATOM 192 CB THR A 14 11.744 -12.116 1.300 1.00 0.85 C ATOM 193 OG1 THR A 14 12.159 -12.289 -0.064 1.00 1.63 O ATOM 194 CG2 THR A 14 12.466 -13.127 2.178 1.00 1.47 C ATOM 0 H THR A 14 9.638 -10.922 -0.070 1.00 0.67 H new ATOM 0 HA THR A 14 9.981 -13.329 1.607 1.00 0.74 H new ATOM 0 HB THR A 14 12.000 -11.112 1.637 1.00 0.85 H new ATOM 0 HG1 THR A 14 11.886 -11.509 -0.590 1.00 1.63 H new ATOM 0 HG21 THR A 14 13.543 -12.990 2.081 1.00 1.47 H new ATOM 0 HG22 THR A 14 12.174 -12.980 3.218 1.00 1.47 H new ATOM 0 HG23 THR A 14 12.199 -14.137 1.865 1.00 1.47 H new ATOM 202 N LEU A 15 8.401 -11.130 2.546 1.00 0.61 N ATOM 203 CA LEU A 15 7.790 -10.333 3.601 1.00 0.61 C ATOM 204 C LEU A 15 6.803 -11.156 4.413 1.00 0.60 C ATOM 205 O LEU A 15 6.356 -12.221 3.981 1.00 0.71 O ATOM 206 CB LEU A 15 7.089 -9.105 3.018 1.00 0.65 C ATOM 207 CG LEU A 15 7.980 -7.876 2.835 1.00 0.73 C ATOM 208 CD1 LEU A 15 7.195 -6.736 2.208 1.00 1.10 C ATOM 209 CD2 LEU A 15 8.570 -7.438 4.170 1.00 0.88 C ATOM 0 H LEU A 15 7.761 -11.416 1.805 1.00 0.61 H new ATOM 0 HA LEU A 15 8.589 -10.001 4.264 1.00 0.61 H new ATOM 0 HB2 LEU A 15 6.664 -9.374 2.051 1.00 0.65 H new ATOM 0 HB3 LEU A 15 6.257 -8.838 3.669 1.00 0.65 H new ATOM 0 HG LEU A 15 8.797 -8.144 2.166 1.00 0.73 H new ATOM 0 HD11 LEU A 15 7.846 -5.870 2.086 1.00 1.10 H new ATOM 0 HD12 LEU A 15 6.818 -7.047 1.234 1.00 1.10 H new ATOM 0 HD13 LEU A 15 6.358 -6.472 2.854 1.00 1.10 H new ATOM 0 HD21 LEU A 15 9.201 -6.562 4.019 1.00 0.88 H new ATOM 0 HD22 LEU A 15 7.764 -7.190 4.860 1.00 0.88 H new ATOM 0 HD23 LEU A 15 9.168 -8.248 4.587 1.00 0.88 H new ATOM 221 N GLU A 16 6.460 -10.644 5.585 1.00 0.65 N ATOM 222 CA GLU A 16 5.531 -11.305 6.486 1.00 0.72 C ATOM 223 C GLU A 16 4.525 -10.285 7.002 1.00 0.70 C ATOM 224 O GLU A 16 4.788 -9.084 6.957 1.00 0.70 O ATOM 225 CB GLU A 16 6.297 -11.943 7.650 1.00 0.83 C ATOM 226 CG GLU A 16 5.463 -12.873 8.518 1.00 1.28 C ATOM 227 CD GLU A 16 6.256 -13.445 9.673 1.00 1.56 C ATOM 228 OE1 GLU A 16 6.902 -12.663 10.402 1.00 2.16 O ATOM 229 OE2 GLU A 16 6.244 -14.680 9.855 1.00 2.16 O ATOM 0 H GLU A 16 6.819 -9.757 5.938 1.00 0.65 H new ATOM 0 HA GLU A 16 4.999 -12.093 5.954 1.00 0.72 H new ATOM 0 HB2 GLU A 16 7.143 -12.502 7.249 1.00 0.83 H new ATOM 0 HB3 GLU A 16 6.706 -11.151 8.277 1.00 0.83 H new ATOM 0 HG2 GLU A 16 4.601 -12.329 8.906 1.00 1.28 H new ATOM 0 HG3 GLU A 16 5.077 -13.688 7.906 1.00 1.28 H new ATOM 236 N ASP A 17 3.393 -10.758 7.507 1.00 0.77 N ATOM 237 CA ASP A 17 2.345 -9.880 8.026 1.00 0.82 C ATOM 238 C ASP A 17 2.666 -9.390 9.437 1.00 0.79 C ATOM 239 O ASP A 17 1.767 -9.112 10.225 1.00 1.05 O ATOM 240 CB ASP A 17 0.986 -10.596 8.017 1.00 1.00 C ATOM 241 CG ASP A 17 1.008 -11.925 8.750 1.00 1.27 C ATOM 242 OD1 ASP A 17 1.632 -12.882 8.235 1.00 1.94 O ATOM 243 OD2 ASP A 17 0.391 -12.027 9.829 1.00 1.78 O ATOM 0 H ASP A 17 3.174 -11.752 7.570 1.00 0.77 H new ATOM 0 HA ASP A 17 2.296 -9.011 7.370 1.00 0.82 H new ATOM 0 HB2 ASP A 17 0.238 -9.948 8.474 1.00 1.00 H new ATOM 0 HB3 ASP A 17 0.676 -10.762 6.985 1.00 1.00 H new ATOM 248 N SER A 18 3.947 -9.276 9.747 1.00 0.74 N ATOM 249 CA SER A 18 4.374 -8.805 11.053 1.00 0.75 C ATOM 250 C SER A 18 4.605 -7.300 11.019 1.00 0.69 C ATOM 251 O SER A 18 5.131 -6.767 10.037 1.00 0.78 O ATOM 252 CB SER A 18 5.646 -9.529 11.494 1.00 0.84 C ATOM 253 OG SER A 18 5.419 -10.919 11.645 1.00 1.61 O ATOM 0 H SER A 18 4.710 -9.504 9.110 1.00 0.74 H new ATOM 0 HA SER A 18 3.587 -9.022 11.775 1.00 0.75 H new ATOM 0 HB2 SER A 18 6.434 -9.364 10.759 1.00 0.84 H new ATOM 0 HB3 SER A 18 5.997 -9.111 12.437 1.00 0.84 H new ATOM 0 HG SER A 18 5.992 -11.414 11.022 1.00 1.61 H new ATOM 259 N GLN A 19 4.215 -6.624 12.094 1.00 0.76 N ATOM 260 CA GLN A 19 4.361 -5.176 12.195 1.00 0.79 C ATOM 261 C GLN A 19 5.815 -4.776 11.994 1.00 0.73 C ATOM 262 O GLN A 19 6.132 -3.951 11.135 1.00 0.73 O ATOM 263 CB GLN A 19 3.863 -4.654 13.553 1.00 1.04 C ATOM 264 CG GLN A 19 3.095 -5.667 14.397 1.00 1.45 C ATOM 265 CD GLN A 19 1.762 -6.075 13.794 1.00 2.07 C ATOM 266 OE1 GLN A 19 1.151 -5.330 13.027 1.00 2.64 O ATOM 267 NE2 GLN A 19 1.295 -7.262 14.154 1.00 2.54 N ATOM 0 H GLN A 19 3.792 -7.059 12.914 1.00 0.76 H new ATOM 0 HA GLN A 19 3.750 -4.728 11.412 1.00 0.79 H new ATOM 0 HB2 GLN A 19 4.721 -4.304 14.126 1.00 1.04 H new ATOM 0 HB3 GLN A 19 3.222 -3.790 13.379 1.00 1.04 H new ATOM 0 HG2 GLN A 19 3.711 -6.556 14.532 1.00 1.45 H new ATOM 0 HG3 GLN A 19 2.923 -5.246 15.387 1.00 1.45 H new ATOM 0 HE21 GLN A 19 1.832 -7.849 14.792 1.00 2.54 H new ATOM 0 HE22 GLN A 19 0.398 -7.588 13.793 1.00 2.54 H new ATOM 276 N GLU A 20 6.698 -5.396 12.764 1.00 0.80 N ATOM 277 CA GLU A 20 8.122 -5.103 12.683 1.00 0.87 C ATOM 278 C GLU A 20 8.688 -5.419 11.299 1.00 0.75 C ATOM 279 O GLU A 20 9.502 -4.658 10.773 1.00 0.80 O ATOM 280 CB GLU A 20 8.888 -5.881 13.747 1.00 1.09 C ATOM 281 CG GLU A 20 8.724 -5.316 15.148 1.00 1.59 C ATOM 282 CD GLU A 20 9.649 -5.975 16.147 1.00 2.23 C ATOM 283 OE1 GLU A 20 10.702 -6.502 15.731 1.00 2.69 O ATOM 284 OE2 GLU A 20 9.335 -5.966 17.354 1.00 2.99 O ATOM 0 H GLU A 20 6.453 -6.107 13.453 1.00 0.80 H new ATOM 0 HA GLU A 20 8.244 -4.034 12.860 1.00 0.87 H new ATOM 0 HB2 GLU A 20 8.551 -6.918 13.740 1.00 1.09 H new ATOM 0 HB3 GLU A 20 9.947 -5.888 13.489 1.00 1.09 H new ATOM 0 HG2 GLU A 20 8.918 -4.244 15.129 1.00 1.59 H new ATOM 0 HG3 GLU A 20 7.691 -5.447 15.471 1.00 1.59 H new ATOM 291 N SER A 21 8.259 -6.535 10.713 1.00 0.69 N ATOM 292 CA SER A 21 8.733 -6.939 9.390 1.00 0.67 C ATOM 293 C SER A 21 8.415 -5.871 8.346 1.00 0.54 C ATOM 294 O SER A 21 9.290 -5.457 7.579 1.00 0.58 O ATOM 295 CB SER A 21 8.103 -8.275 8.986 1.00 0.74 C ATOM 296 OG SER A 21 8.308 -9.257 9.991 1.00 1.10 O ATOM 0 H SER A 21 7.585 -7.175 11.132 1.00 0.69 H new ATOM 0 HA SER A 21 9.815 -7.057 9.439 1.00 0.67 H new ATOM 0 HB2 SER A 21 7.035 -8.141 8.816 1.00 0.74 H new ATOM 0 HB3 SER A 21 8.536 -8.616 8.045 1.00 0.74 H new ATOM 0 HG SER A 21 8.040 -10.136 9.649 1.00 1.10 H new ATOM 302 N ILE A 22 7.169 -5.414 8.330 1.00 0.47 N ATOM 303 CA ILE A 22 6.753 -4.385 7.385 1.00 0.42 C ATOM 304 C ILE A 22 7.510 -3.092 7.666 1.00 0.42 C ATOM 305 O ILE A 22 7.976 -2.425 6.744 1.00 0.42 O ATOM 306 CB ILE A 22 5.230 -4.124 7.452 1.00 0.47 C ATOM 307 CG1 ILE A 22 4.455 -5.412 7.153 1.00 0.53 C ATOM 308 CG2 ILE A 22 4.832 -3.024 6.474 1.00 0.54 C ATOM 309 CD1 ILE A 22 4.672 -5.952 5.752 1.00 0.88 C ATOM 0 H ILE A 22 6.432 -5.737 8.957 1.00 0.47 H new ATOM 0 HA ILE A 22 6.985 -4.741 6.381 1.00 0.42 H new ATOM 0 HB ILE A 22 4.980 -3.794 8.460 1.00 0.47 H new ATOM 0 HG12 ILE A 22 4.747 -6.175 7.875 1.00 0.53 H new ATOM 0 HG13 ILE A 22 3.391 -5.226 7.299 1.00 0.53 H new ATOM 0 HG21 ILE A 22 3.757 -2.854 6.535 1.00 0.54 H new ATOM 0 HG22 ILE A 22 5.360 -2.104 6.727 1.00 0.54 H new ATOM 0 HG23 ILE A 22 5.094 -3.326 5.460 1.00 0.54 H new ATOM 0 HD11 ILE A 22 4.090 -6.864 5.619 1.00 0.88 H new ATOM 0 HD12 ILE A 22 4.353 -5.208 5.022 1.00 0.88 H new ATOM 0 HD13 ILE A 22 5.730 -6.172 5.607 1.00 0.88 H new ATOM 321 N SER A 23 7.650 -2.767 8.948 1.00 0.46 N ATOM 322 CA SER A 23 8.360 -1.562 9.369 1.00 0.50 C ATOM 323 C SER A 23 9.804 -1.575 8.871 1.00 0.49 C ATOM 324 O SER A 23 10.321 -0.555 8.415 1.00 0.55 O ATOM 325 CB SER A 23 8.338 -1.441 10.894 1.00 0.59 C ATOM 326 OG SER A 23 7.010 -1.447 11.386 1.00 1.18 O ATOM 0 H SER A 23 7.279 -3.324 9.717 1.00 0.46 H new ATOM 0 HA SER A 23 7.853 -0.702 8.933 1.00 0.50 H new ATOM 0 HB2 SER A 23 8.897 -2.266 11.336 1.00 0.59 H new ATOM 0 HB3 SER A 23 8.837 -0.520 11.196 1.00 0.59 H new ATOM 0 HG SER A 23 6.639 -2.351 11.314 1.00 1.18 H new ATOM 332 N SER A 24 10.439 -2.740 8.944 1.00 0.50 N ATOM 333 CA SER A 24 11.821 -2.895 8.504 1.00 0.54 C ATOM 334 C SER A 24 11.956 -2.578 7.014 1.00 0.50 C ATOM 335 O SER A 24 12.841 -1.827 6.606 1.00 0.67 O ATOM 336 CB SER A 24 12.305 -4.319 8.790 1.00 0.62 C ATOM 337 OG SER A 24 12.090 -4.674 10.148 1.00 1.16 O ATOM 0 H SER A 24 10.016 -3.595 9.306 1.00 0.50 H new ATOM 0 HA SER A 24 12.441 -2.191 9.059 1.00 0.54 H new ATOM 0 HB2 SER A 24 11.781 -5.021 8.141 1.00 0.62 H new ATOM 0 HB3 SER A 24 13.366 -4.399 8.555 1.00 0.62 H new ATOM 0 HG SER A 24 11.147 -4.905 10.280 1.00 1.16 H new ATOM 343 N ALA A 25 11.060 -3.137 6.209 1.00 0.42 N ATOM 344 CA ALA A 25 11.082 -2.908 4.770 1.00 0.40 C ATOM 345 C ALA A 25 10.717 -1.463 4.439 1.00 0.36 C ATOM 346 O ALA A 25 11.348 -0.832 3.590 1.00 0.37 O ATOM 347 CB ALA A 25 10.134 -3.867 4.069 1.00 0.45 C ATOM 0 H ALA A 25 10.311 -3.751 6.528 1.00 0.42 H new ATOM 0 HA ALA A 25 12.095 -3.091 4.413 1.00 0.40 H new ATOM 0 HB1 ALA A 25 10.161 -3.685 2.995 1.00 0.45 H new ATOM 0 HB2 ALA A 25 10.440 -4.894 4.271 1.00 0.45 H new ATOM 0 HB3 ALA A 25 9.120 -3.712 4.438 1.00 0.45 H new ATOM 353 N SER A 26 9.713 -0.938 5.129 1.00 0.36 N ATOM 354 CA SER A 26 9.260 0.429 4.906 1.00 0.37 C ATOM 355 C SER A 26 10.359 1.436 5.233 1.00 0.36 C ATOM 356 O SER A 26 10.502 2.448 4.552 1.00 0.37 O ATOM 357 CB SER A 26 8.020 0.716 5.751 1.00 0.46 C ATOM 358 OG SER A 26 7.017 -0.257 5.522 1.00 1.32 O ATOM 0 H SER A 26 9.195 -1.440 5.850 1.00 0.36 H new ATOM 0 HA SER A 26 9.008 0.533 3.850 1.00 0.37 H new ATOM 0 HB2 SER A 26 8.289 0.725 6.807 1.00 0.46 H new ATOM 0 HB3 SER A 26 7.633 1.706 5.512 1.00 0.46 H new ATOM 0 HG SER A 26 7.243 -1.080 6.004 1.00 1.32 H new ATOM 364 N LYS A 27 11.142 1.144 6.268 1.00 0.39 N ATOM 365 CA LYS A 27 12.225 2.028 6.680 1.00 0.44 C ATOM 366 C LYS A 27 13.249 2.181 5.556 1.00 0.39 C ATOM 367 O LYS A 27 13.743 3.279 5.298 1.00 0.45 O ATOM 368 CB LYS A 27 12.894 1.489 7.946 1.00 0.53 C ATOM 369 CG LYS A 27 13.830 2.481 8.616 1.00 0.90 C ATOM 370 CD LYS A 27 13.915 2.246 10.117 1.00 1.41 C ATOM 371 CE LYS A 27 14.426 0.852 10.444 1.00 1.90 C ATOM 372 NZ LYS A 27 14.574 0.642 11.907 1.00 2.38 N ATOM 0 H LYS A 27 11.046 0.302 6.836 1.00 0.39 H new ATOM 0 HA LYS A 27 11.808 3.011 6.898 1.00 0.44 H new ATOM 0 HB2 LYS A 27 12.122 1.196 8.657 1.00 0.53 H new ATOM 0 HB3 LYS A 27 13.454 0.588 7.694 1.00 0.53 H new ATOM 0 HG2 LYS A 27 14.824 2.397 8.177 1.00 0.90 H new ATOM 0 HG3 LYS A 27 13.482 3.496 8.425 1.00 0.90 H new ATOM 0 HD2 LYS A 27 14.575 2.989 10.564 1.00 1.41 H new ATOM 0 HD3 LYS A 27 12.930 2.386 10.563 1.00 1.41 H new ATOM 0 HE2 LYS A 27 13.738 0.110 10.039 1.00 1.90 H new ATOM 0 HE3 LYS A 27 15.388 0.695 9.956 1.00 1.90 H new ATOM 0 HZ1 LYS A 27 14.925 -0.321 12.086 1.00 2.38 H new ATOM 0 HZ2 LYS A 27 15.250 1.333 12.290 1.00 2.38 H new ATOM 0 HZ3 LYS A 27 13.651 0.766 12.371 1.00 2.38 H new ATOM 386 N TRP A 28 13.551 1.077 4.879 1.00 0.36 N ATOM 387 CA TRP A 28 14.502 1.092 3.772 1.00 0.38 C ATOM 388 C TRP A 28 13.915 1.862 2.593 1.00 0.35 C ATOM 389 O TRP A 28 14.619 2.605 1.908 1.00 0.43 O ATOM 390 CB TRP A 28 14.861 -0.338 3.354 1.00 0.42 C ATOM 391 CG TRP A 28 15.826 -0.414 2.208 1.00 0.54 C ATOM 392 CD1 TRP A 28 17.102 0.077 2.170 1.00 0.73 C ATOM 393 CD2 TRP A 28 15.593 -1.023 0.931 1.00 0.62 C ATOM 394 NE1 TRP A 28 17.672 -0.184 0.946 1.00 0.86 N ATOM 395 CE2 TRP A 28 16.765 -0.861 0.171 1.00 0.79 C ATOM 396 CE3 TRP A 28 14.506 -1.689 0.359 1.00 0.70 C ATOM 397 CZ2 TRP A 28 16.881 -1.338 -1.133 1.00 0.94 C ATOM 398 CZ3 TRP A 28 14.623 -2.164 -0.935 1.00 0.89 C ATOM 399 CH2 TRP A 28 15.804 -1.986 -1.667 1.00 0.98 C ATOM 0 H TRP A 28 13.151 0.160 5.078 1.00 0.36 H new ATOM 0 HA TRP A 28 15.414 1.591 4.099 1.00 0.38 H new ATOM 0 HB2 TRP A 28 15.288 -0.860 4.211 1.00 0.42 H new ATOM 0 HB3 TRP A 28 13.947 -0.866 3.082 1.00 0.42 H new ATOM 0 HD1 TRP A 28 17.591 0.594 2.983 1.00 0.73 H new ATOM 0 HE1 TRP A 28 18.615 0.082 0.661 1.00 0.86 H new ATOM 0 HE3 TRP A 28 13.592 -1.830 0.916 1.00 0.70 H new ATOM 0 HZ2 TRP A 28 17.789 -1.200 -1.701 1.00 0.94 H new ATOM 0 HZ3 TRP A 28 13.790 -2.681 -1.388 1.00 0.89 H new ATOM 0 HH2 TRP A 28 15.864 -2.369 -2.675 1.00 0.98 H new ATOM 410 N LEU A 29 12.615 1.689 2.379 1.00 0.32 N ATOM 411 CA LEU A 29 11.915 2.369 1.296 1.00 0.35 C ATOM 412 C LEU A 29 11.927 3.880 1.509 1.00 0.36 C ATOM 413 O LEU A 29 12.123 4.644 0.566 1.00 0.39 O ATOM 414 CB LEU A 29 10.470 1.873 1.195 1.00 0.41 C ATOM 415 CG LEU A 29 10.202 0.841 0.096 1.00 0.54 C ATOM 416 CD1 LEU A 29 10.520 1.417 -1.274 1.00 1.10 C ATOM 417 CD2 LEU A 29 11.009 -0.425 0.337 1.00 1.30 C ATOM 0 H LEU A 29 12.023 1.081 2.944 1.00 0.32 H new ATOM 0 HA LEU A 29 12.435 2.141 0.365 1.00 0.35 H new ATOM 0 HB2 LEU A 29 10.185 1.439 2.154 1.00 0.41 H new ATOM 0 HB3 LEU A 29 9.820 2.732 1.029 1.00 0.41 H new ATOM 0 HG LEU A 29 9.143 0.586 0.125 1.00 0.54 H new ATOM 0 HD11 LEU A 29 10.322 0.666 -2.039 1.00 1.10 H new ATOM 0 HD12 LEU A 29 9.896 2.292 -1.454 1.00 1.10 H new ATOM 0 HD13 LEU A 29 11.570 1.706 -1.312 1.00 1.10 H new ATOM 0 HD21 LEU A 29 10.803 -1.144 -0.456 1.00 1.30 H new ATOM 0 HD22 LEU A 29 12.072 -0.184 0.341 1.00 1.30 H new ATOM 0 HD23 LEU A 29 10.731 -0.856 1.299 1.00 1.30 H new ATOM 429 N LEU A 30 11.725 4.297 2.755 1.00 0.38 N ATOM 430 CA LEU A 30 11.719 5.716 3.111 1.00 0.44 C ATOM 431 C LEU A 30 13.072 6.353 2.813 1.00 0.48 C ATOM 432 O LEU A 30 13.156 7.527 2.454 1.00 0.60 O ATOM 433 CB LEU A 30 11.380 5.894 4.594 1.00 0.51 C ATOM 434 CG LEU A 30 9.949 5.519 4.989 1.00 0.72 C ATOM 435 CD1 LEU A 30 9.818 5.446 6.504 1.00 1.06 C ATOM 436 CD2 LEU A 30 8.960 6.523 4.414 1.00 1.00 C ATOM 0 H LEU A 30 11.562 3.669 3.542 1.00 0.38 H new ATOM 0 HA LEU A 30 10.957 6.212 2.509 1.00 0.44 H new ATOM 0 HB2 LEU A 30 12.071 5.291 5.182 1.00 0.51 H new ATOM 0 HB3 LEU A 30 11.553 6.935 4.867 1.00 0.51 H new ATOM 0 HG LEU A 30 9.721 4.536 4.577 1.00 0.72 H new ATOM 0 HD11 LEU A 30 8.795 5.178 6.768 1.00 1.06 H new ATOM 0 HD12 LEU A 30 10.502 4.692 6.892 1.00 1.06 H new ATOM 0 HD13 LEU A 30 10.063 6.416 6.938 1.00 1.06 H new ATOM 0 HD21 LEU A 30 7.947 6.243 4.704 1.00 1.00 H new ATOM 0 HD22 LEU A 30 9.186 7.517 4.799 1.00 1.00 H new ATOM 0 HD23 LEU A 30 9.038 6.529 3.327 1.00 1.00 H new ATOM 448 N LEU A 31 14.131 5.568 2.969 1.00 0.45 N ATOM 449 CA LEU A 31 15.482 6.046 2.708 1.00 0.53 C ATOM 450 C LEU A 31 15.712 6.189 1.208 1.00 0.54 C ATOM 451 O LEU A 31 16.542 6.982 0.762 1.00 0.70 O ATOM 452 CB LEU A 31 16.512 5.085 3.310 1.00 0.58 C ATOM 453 CG LEU A 31 16.544 5.031 4.840 1.00 1.12 C ATOM 454 CD1 LEU A 31 17.341 3.824 5.314 1.00 1.59 C ATOM 455 CD2 LEU A 31 17.136 6.315 5.407 1.00 1.71 C ATOM 0 H LEU A 31 14.080 4.596 3.275 1.00 0.45 H new ATOM 0 HA LEU A 31 15.600 7.024 3.175 1.00 0.53 H new ATOM 0 HB2 LEU A 31 16.313 4.082 2.932 1.00 0.58 H new ATOM 0 HB3 LEU A 31 17.502 5.369 2.953 1.00 0.58 H new ATOM 0 HG LEU A 31 15.521 4.933 5.202 1.00 1.12 H new ATOM 0 HD11 LEU A 31 17.353 3.801 6.404 1.00 1.59 H new ATOM 0 HD12 LEU A 31 16.878 2.912 4.937 1.00 1.59 H new ATOM 0 HD13 LEU A 31 18.363 3.893 4.941 1.00 1.59 H new ATOM 0 HD21 LEU A 31 17.151 6.259 6.495 1.00 1.71 H new ATOM 0 HD22 LEU A 31 18.153 6.441 5.036 1.00 1.71 H new ATOM 0 HD23 LEU A 31 16.528 7.164 5.096 1.00 1.71 H new ATOM 467 N GLN A 32 14.961 5.427 0.430 1.00 0.49 N ATOM 468 CA GLN A 32 15.080 5.465 -1.017 1.00 0.56 C ATOM 469 C GLN A 32 14.004 6.362 -1.621 1.00 0.48 C ATOM 470 O GLN A 32 13.329 5.987 -2.580 1.00 0.53 O ATOM 471 CB GLN A 32 14.981 4.052 -1.595 1.00 0.69 C ATOM 472 CG GLN A 32 16.179 3.180 -1.259 1.00 0.80 C ATOM 473 CD GLN A 32 17.503 3.847 -1.591 1.00 1.09 C ATOM 474 OE1 GLN A 32 17.599 4.651 -2.517 1.00 1.51 O ATOM 475 NE2 GLN A 32 18.536 3.524 -0.830 1.00 1.25 N ATOM 0 H GLN A 32 14.260 4.773 0.778 1.00 0.49 H new ATOM 0 HA GLN A 32 16.055 5.879 -1.272 1.00 0.56 H new ATOM 0 HB2 GLN A 32 14.076 3.575 -1.218 1.00 0.69 H new ATOM 0 HB3 GLN A 32 14.880 4.116 -2.678 1.00 0.69 H new ATOM 0 HG2 GLN A 32 16.157 2.934 -0.197 1.00 0.80 H new ATOM 0 HG3 GLN A 32 16.103 2.240 -1.806 1.00 0.80 H new ATOM 0 HE21 GLN A 32 18.420 2.853 -0.070 1.00 1.25 H new ATOM 0 HE22 GLN A 32 19.448 3.946 -1.003 1.00 1.25 H new ATOM 484 N TYR A 33 13.868 7.559 -1.057 1.00 0.47 N ATOM 485 CA TYR A 33 12.883 8.541 -1.515 1.00 0.47 C ATOM 486 C TYR A 33 13.107 8.923 -2.979 1.00 0.46 C ATOM 487 O TYR A 33 12.195 9.392 -3.656 1.00 0.50 O ATOM 488 CB TYR A 33 12.935 9.799 -0.632 1.00 0.57 C ATOM 489 CG TYR A 33 14.339 10.249 -0.263 1.00 0.70 C ATOM 490 CD1 TYR A 33 15.133 10.934 -1.173 1.00 1.41 C ATOM 491 CD2 TYR A 33 14.864 9.996 1.000 1.00 1.35 C ATOM 492 CE1 TYR A 33 16.409 11.353 -0.841 1.00 1.59 C ATOM 493 CE2 TYR A 33 16.139 10.412 1.342 1.00 1.55 C ATOM 494 CZ TYR A 33 16.908 11.090 0.418 1.00 1.27 C ATOM 495 OH TYR A 33 18.179 11.508 0.759 1.00 1.61 O ATOM 0 H TYR A 33 14.435 7.877 -0.271 1.00 0.47 H new ATOM 0 HA TYR A 33 11.898 8.082 -1.434 1.00 0.47 H new ATOM 0 HB2 TYR A 33 12.430 10.614 -1.151 1.00 0.57 H new ATOM 0 HB3 TYR A 33 12.375 9.609 0.284 1.00 0.57 H new ATOM 0 HD1 TYR A 33 14.747 11.144 -2.160 1.00 1.41 H new ATOM 0 HD2 TYR A 33 14.266 9.466 1.727 1.00 1.35 H new ATOM 0 HE1 TYR A 33 17.011 11.883 -1.564 1.00 1.59 H new ATOM 0 HE2 TYR A 33 16.530 10.207 2.327 1.00 1.55 H new ATOM 0 HH TYR A 33 18.374 11.243 1.682 1.00 1.61 H new ATOM 505 N ARG A 34 14.319 8.701 -3.464 1.00 0.47 N ATOM 506 CA ARG A 34 14.668 9.030 -4.839 1.00 0.53 C ATOM 507 C ARG A 34 14.082 8.014 -5.821 1.00 0.48 C ATOM 508 O ARG A 34 14.025 8.259 -7.027 1.00 0.56 O ATOM 509 CB ARG A 34 16.192 9.081 -4.985 1.00 0.64 C ATOM 510 CG ARG A 34 16.666 9.771 -6.252 1.00 1.12 C ATOM 511 CD ARG A 34 18.144 9.521 -6.490 1.00 1.55 C ATOM 512 NE ARG A 34 18.416 8.125 -6.839 1.00 2.28 N ATOM 513 CZ ARG A 34 19.556 7.492 -6.566 1.00 2.92 C ATOM 514 NH1 ARG A 34 20.538 8.119 -5.928 1.00 2.94 N ATOM 515 NH2 ARG A 34 19.714 6.224 -6.927 1.00 3.97 N ATOM 0 H ARG A 34 15.081 8.292 -2.923 1.00 0.47 H new ATOM 0 HA ARG A 34 14.244 10.006 -5.075 1.00 0.53 H new ATOM 0 HB2 ARG A 34 16.613 9.598 -4.122 1.00 0.64 H new ATOM 0 HB3 ARG A 34 16.583 8.064 -4.969 1.00 0.64 H new ATOM 0 HG2 ARG A 34 16.091 9.409 -7.104 1.00 1.12 H new ATOM 0 HG3 ARG A 34 16.483 10.843 -6.176 1.00 1.12 H new ATOM 0 HD2 ARG A 34 18.497 10.170 -7.291 1.00 1.55 H new ATOM 0 HD3 ARG A 34 18.705 9.787 -5.594 1.00 1.55 H new ATOM 0 HE ARG A 34 17.685 7.603 -7.323 1.00 2.28 H new ATOM 0 HH11 ARG A 34 20.422 9.092 -5.644 1.00 2.94 H new ATOM 0 HH12 ARG A 34 21.408 7.628 -5.722 1.00 2.94 H new ATOM 0 HH21 ARG A 34 18.963 5.735 -7.413 1.00 3.97 H new ATOM 0 HH22 ARG A 34 20.587 5.739 -6.718 1.00 3.97 H new ATOM 529 N ASP A 35 13.639 6.878 -5.304 1.00 0.46 N ATOM 530 CA ASP A 35 13.071 5.840 -6.152 1.00 0.50 C ATOM 531 C ASP A 35 11.569 5.725 -5.937 1.00 0.41 C ATOM 532 O ASP A 35 10.939 4.774 -6.395 1.00 0.38 O ATOM 533 CB ASP A 35 13.750 4.499 -5.884 1.00 0.68 C ATOM 534 CG ASP A 35 14.230 3.834 -7.161 1.00 1.04 C ATOM 535 OD1 ASP A 35 15.045 4.455 -7.891 1.00 1.58 O ATOM 536 OD2 ASP A 35 13.809 2.697 -7.446 1.00 1.70 O ATOM 0 H ASP A 35 13.661 6.652 -4.310 1.00 0.46 H new ATOM 0 HA ASP A 35 13.247 6.118 -7.191 1.00 0.50 H new ATOM 0 HB2 ASP A 35 14.597 4.650 -5.215 1.00 0.68 H new ATOM 0 HB3 ASP A 35 13.053 3.837 -5.371 1.00 0.68 H new ATOM 541 N ALA A 36 11.001 6.718 -5.253 1.00 0.40 N ATOM 542 CA ALA A 36 9.566 6.752 -4.965 1.00 0.37 C ATOM 543 C ALA A 36 8.710 6.549 -6.226 1.00 0.32 C ATOM 544 O ALA A 36 7.823 5.696 -6.231 1.00 0.33 O ATOM 545 CB ALA A 36 9.192 8.057 -4.269 1.00 0.43 C ATOM 0 H ALA A 36 11.518 7.517 -4.885 1.00 0.40 H new ATOM 0 HA ALA A 36 9.353 5.917 -4.297 1.00 0.37 H new ATOM 0 HB1 ALA A 36 8.122 8.065 -4.062 1.00 0.43 H new ATOM 0 HB2 ALA A 36 9.743 8.141 -3.332 1.00 0.43 H new ATOM 0 HB3 ALA A 36 9.444 8.899 -4.914 1.00 0.43 H new ATOM 551 N PRO A 37 8.949 7.309 -7.324 1.00 0.35 N ATOM 552 CA PRO A 37 8.169 7.155 -8.559 1.00 0.37 C ATOM 553 C PRO A 37 8.390 5.800 -9.236 1.00 0.35 C ATOM 554 O PRO A 37 7.567 5.357 -10.039 1.00 0.42 O ATOM 555 CB PRO A 37 8.679 8.288 -9.459 1.00 0.46 C ATOM 556 CG PRO A 37 10.040 8.596 -8.940 1.00 0.50 C ATOM 557 CD PRO A 37 9.965 8.378 -7.457 1.00 0.42 C ATOM 0 HA PRO A 37 7.098 7.199 -8.359 1.00 0.37 H new ATOM 0 HB2 PRO A 37 8.714 7.979 -10.504 1.00 0.46 H new ATOM 0 HB3 PRO A 37 8.028 9.160 -9.406 1.00 0.46 H new ATOM 0 HG2 PRO A 37 10.789 7.947 -9.394 1.00 0.50 H new ATOM 0 HG3 PRO A 37 10.325 9.622 -9.171 1.00 0.50 H new ATOM 0 HD2 PRO A 37 10.927 8.073 -7.046 1.00 0.42 H new ATOM 0 HD3 PRO A 37 9.667 9.285 -6.931 1.00 0.42 H new ATOM 565 N LYS A 38 9.492 5.135 -8.906 1.00 0.34 N ATOM 566 CA LYS A 38 9.798 3.843 -9.505 1.00 0.36 C ATOM 567 C LYS A 38 9.167 2.710 -8.702 1.00 0.34 C ATOM 568 O LYS A 38 8.549 1.809 -9.267 1.00 0.39 O ATOM 569 CB LYS A 38 11.311 3.636 -9.617 1.00 0.41 C ATOM 570 CG LYS A 38 11.694 2.430 -10.464 1.00 0.60 C ATOM 571 CD LYS A 38 11.390 2.665 -11.938 1.00 1.32 C ATOM 572 CE LYS A 38 11.339 1.365 -12.724 1.00 2.00 C ATOM 573 NZ LYS A 38 12.648 0.662 -12.729 1.00 2.78 N ATOM 0 H LYS A 38 10.183 5.467 -8.233 1.00 0.34 H new ATOM 0 HA LYS A 38 9.375 3.833 -10.509 1.00 0.36 H new ATOM 0 HB2 LYS A 38 11.762 4.531 -10.046 1.00 0.41 H new ATOM 0 HB3 LYS A 38 11.729 3.517 -8.618 1.00 0.41 H new ATOM 0 HG2 LYS A 38 12.756 2.219 -10.339 1.00 0.60 H new ATOM 0 HG3 LYS A 38 11.151 1.552 -10.115 1.00 0.60 H new ATOM 0 HD2 LYS A 38 10.436 3.184 -12.033 1.00 1.32 H new ATOM 0 HD3 LYS A 38 12.151 3.317 -12.366 1.00 1.32 H new ATOM 0 HE2 LYS A 38 10.579 0.712 -12.295 1.00 2.00 H new ATOM 0 HE3 LYS A 38 11.037 1.574 -13.750 1.00 2.00 H new ATOM 0 HZ1 LYS A 38 12.581 -0.192 -13.318 1.00 2.78 H new ATOM 0 HZ2 LYS A 38 13.379 1.293 -13.116 1.00 2.78 H new ATOM 0 HZ3 LYS A 38 12.901 0.393 -11.757 1.00 2.78 H new ATOM 587 N VAL A 39 9.312 2.754 -7.385 1.00 0.31 N ATOM 588 CA VAL A 39 8.739 1.719 -6.532 1.00 0.31 C ATOM 589 C VAL A 39 7.214 1.777 -6.557 1.00 0.29 C ATOM 590 O VAL A 39 6.548 0.757 -6.394 1.00 0.31 O ATOM 591 CB VAL A 39 9.241 1.811 -5.073 1.00 0.34 C ATOM 592 CG1 VAL A 39 10.741 1.574 -5.011 1.00 0.39 C ATOM 593 CG2 VAL A 39 8.881 3.149 -4.449 1.00 0.33 C ATOM 0 H VAL A 39 9.816 3.487 -6.886 1.00 0.31 H new ATOM 0 HA VAL A 39 9.072 0.764 -6.938 1.00 0.31 H new ATOM 0 HB VAL A 39 8.743 1.032 -4.496 1.00 0.34 H new ATOM 0 HG11 VAL A 39 11.078 1.642 -3.977 1.00 0.39 H new ATOM 0 HG12 VAL A 39 10.969 0.582 -5.402 1.00 0.39 H new ATOM 0 HG13 VAL A 39 11.253 2.327 -5.610 1.00 0.39 H new ATOM 0 HG21 VAL A 39 9.248 3.182 -3.423 1.00 0.33 H new ATOM 0 HG22 VAL A 39 9.339 3.954 -5.024 1.00 0.33 H new ATOM 0 HG23 VAL A 39 7.798 3.272 -4.451 1.00 0.33 H new ATOM 603 N ALA A 40 6.672 2.969 -6.791 1.00 0.27 N ATOM 604 CA ALA A 40 5.229 3.161 -6.844 1.00 0.28 C ATOM 605 C ALA A 40 4.612 2.408 -8.017 1.00 0.28 C ATOM 606 O ALA A 40 3.606 1.715 -7.859 1.00 0.29 O ATOM 607 CB ALA A 40 4.893 4.639 -6.938 1.00 0.32 C ATOM 0 H ALA A 40 7.214 3.819 -6.947 1.00 0.27 H new ATOM 0 HA ALA A 40 4.807 2.759 -5.923 1.00 0.28 H new ATOM 0 HB1 ALA A 40 3.811 4.764 -6.977 1.00 0.32 H new ATOM 0 HB2 ALA A 40 5.287 5.158 -6.064 1.00 0.32 H new ATOM 0 HB3 ALA A 40 5.339 5.057 -7.840 1.00 0.32 H new ATOM 613 N GLU A 41 5.218 2.535 -9.196 1.00 0.31 N ATOM 614 CA GLU A 41 4.706 1.854 -10.377 1.00 0.36 C ATOM 615 C GLU A 41 4.935 0.348 -10.266 1.00 0.35 C ATOM 616 O GLU A 41 4.074 -0.444 -10.647 1.00 0.38 O ATOM 617 CB GLU A 41 5.337 2.408 -11.661 1.00 0.44 C ATOM 618 CG GLU A 41 6.849 2.300 -11.708 1.00 0.52 C ATOM 619 CD GLU A 41 7.399 2.489 -13.104 1.00 0.74 C ATOM 620 OE1 GLU A 41 7.434 1.506 -13.869 1.00 1.37 O ATOM 621 OE2 GLU A 41 7.792 3.623 -13.445 1.00 1.40 O ATOM 0 H GLU A 41 6.054 3.097 -9.356 1.00 0.31 H new ATOM 0 HA GLU A 41 3.633 2.039 -10.432 1.00 0.36 H new ATOM 0 HB2 GLU A 41 4.919 1.877 -12.516 1.00 0.44 H new ATOM 0 HB3 GLU A 41 5.055 3.456 -11.768 1.00 0.44 H new ATOM 0 HG2 GLU A 41 7.284 3.048 -11.045 1.00 0.52 H new ATOM 0 HG3 GLU A 41 7.152 1.324 -11.330 1.00 0.52 H new ATOM 628 N MET A 42 6.084 -0.040 -9.712 1.00 0.35 N ATOM 629 CA MET A 42 6.409 -1.452 -9.540 1.00 0.40 C ATOM 630 C MET A 42 5.410 -2.104 -8.597 1.00 0.35 C ATOM 631 O MET A 42 4.953 -3.220 -8.835 1.00 0.35 O ATOM 632 CB MET A 42 7.832 -1.625 -9.002 1.00 0.51 C ATOM 633 CG MET A 42 8.909 -1.400 -10.050 1.00 1.09 C ATOM 634 SD MET A 42 10.544 -1.943 -9.509 1.00 0.98 S ATOM 635 CE MET A 42 10.842 -0.830 -8.137 1.00 1.51 C ATOM 0 H MET A 42 6.801 0.603 -9.376 1.00 0.35 H new ATOM 0 HA MET A 42 6.352 -1.938 -10.514 1.00 0.40 H new ATOM 0 HB2 MET A 42 7.987 -0.929 -8.178 1.00 0.51 H new ATOM 0 HB3 MET A 42 7.938 -2.630 -8.594 1.00 0.51 H new ATOM 0 HG2 MET A 42 8.638 -1.933 -10.961 1.00 1.09 H new ATOM 0 HG3 MET A 42 8.949 -0.340 -10.301 1.00 1.09 H new ATOM 0 HE1 MET A 42 11.892 -0.882 -7.848 1.00 1.51 H new ATOM 0 HE2 MET A 42 10.598 0.189 -8.436 1.00 1.51 H new ATOM 0 HE3 MET A 42 10.218 -1.120 -7.291 1.00 1.51 H new ATOM 645 N TRP A 43 5.076 -1.387 -7.528 1.00 0.32 N ATOM 646 CA TRP A 43 4.116 -1.866 -6.543 1.00 0.30 C ATOM 647 C TRP A 43 2.753 -2.070 -7.191 1.00 0.27 C ATOM 648 O TRP A 43 2.127 -3.120 -7.030 1.00 0.28 O ATOM 649 CB TRP A 43 4.012 -0.868 -5.382 1.00 0.30 C ATOM 650 CG TRP A 43 2.956 -1.206 -4.370 1.00 0.30 C ATOM 651 CD1 TRP A 43 3.024 -2.165 -3.400 1.00 0.34 C ATOM 652 CD2 TRP A 43 1.677 -0.576 -4.220 1.00 0.31 C ATOM 653 NE1 TRP A 43 1.867 -2.170 -2.659 1.00 0.37 N ATOM 654 CE2 TRP A 43 1.022 -1.208 -3.147 1.00 0.35 C ATOM 655 CE3 TRP A 43 1.020 0.458 -4.894 1.00 0.34 C ATOM 656 CZ2 TRP A 43 -0.252 -0.836 -2.729 1.00 0.40 C ATOM 657 CZ3 TRP A 43 -0.244 0.825 -4.480 1.00 0.39 C ATOM 658 CH2 TRP A 43 -0.871 0.177 -3.410 1.00 0.41 C ATOM 0 H TRP A 43 5.461 -0.465 -7.322 1.00 0.32 H new ATOM 0 HA TRP A 43 4.460 -2.824 -6.152 1.00 0.30 H new ATOM 0 HB2 TRP A 43 4.977 -0.813 -4.878 1.00 0.30 H new ATOM 0 HB3 TRP A 43 3.807 0.123 -5.787 1.00 0.30 H new ATOM 0 HD1 TRP A 43 3.865 -2.823 -3.239 1.00 0.34 H new ATOM 0 HE1 TRP A 43 1.669 -2.789 -1.873 1.00 0.37 H new ATOM 0 HE3 TRP A 43 1.494 0.961 -5.724 1.00 0.34 H new ATOM 0 HZ2 TRP A 43 -0.735 -1.329 -1.898 1.00 0.40 H new ATOM 0 HZ3 TRP A 43 -0.758 1.626 -4.990 1.00 0.39 H new ATOM 0 HH2 TRP A 43 -1.864 0.483 -3.115 1.00 0.41 H new ATOM 669 N LYS A 44 2.309 -1.061 -7.936 1.00 0.27 N ATOM 670 CA LYS A 44 1.025 -1.112 -8.624 1.00 0.28 C ATOM 671 C LYS A 44 0.977 -2.294 -9.586 1.00 0.30 C ATOM 672 O LYS A 44 0.028 -3.076 -9.575 1.00 0.31 O ATOM 673 CB LYS A 44 0.786 0.189 -9.395 1.00 0.32 C ATOM 674 CG LYS A 44 -0.586 0.266 -10.056 1.00 0.46 C ATOM 675 CD LYS A 44 -0.529 0.991 -11.391 1.00 0.66 C ATOM 676 CE LYS A 44 0.206 0.169 -12.437 1.00 1.03 C ATOM 677 NZ LYS A 44 0.222 0.830 -13.766 1.00 1.11 N ATOM 0 H LYS A 44 2.825 -0.193 -8.078 1.00 0.27 H new ATOM 0 HA LYS A 44 0.242 -1.236 -7.876 1.00 0.28 H new ATOM 0 HB2 LYS A 44 0.899 1.031 -8.713 1.00 0.32 H new ATOM 0 HB3 LYS A 44 1.555 0.294 -10.161 1.00 0.32 H new ATOM 0 HG2 LYS A 44 -0.975 -0.741 -10.206 1.00 0.46 H new ATOM 0 HG3 LYS A 44 -1.281 0.780 -9.392 1.00 0.46 H new ATOM 0 HD2 LYS A 44 -1.541 1.201 -11.736 1.00 0.66 H new ATOM 0 HD3 LYS A 44 -0.030 1.952 -11.264 1.00 0.66 H new ATOM 0 HE2 LYS A 44 1.231 -0.002 -12.107 1.00 1.03 H new ATOM 0 HE3 LYS A 44 -0.268 -0.809 -12.526 1.00 1.03 H new ATOM 0 HZ1 LYS A 44 0.704 0.216 -14.453 1.00 1.11 H new ATOM 0 HZ2 LYS A 44 -0.754 1.001 -14.080 1.00 1.11 H new ATOM 0 HZ3 LYS A 44 0.727 1.736 -13.697 1.00 1.11 H new ATOM 691 N GLU A 45 2.015 -2.416 -10.408 1.00 0.35 N ATOM 692 CA GLU A 45 2.104 -3.495 -11.385 1.00 0.41 C ATOM 693 C GLU A 45 2.106 -4.856 -10.700 1.00 0.40 C ATOM 694 O GLU A 45 1.445 -5.788 -11.152 1.00 0.46 O ATOM 695 CB GLU A 45 3.374 -3.340 -12.226 1.00 0.51 C ATOM 696 CG GLU A 45 3.345 -2.138 -13.154 1.00 0.73 C ATOM 697 CD GLU A 45 2.467 -2.364 -14.365 1.00 1.21 C ATOM 698 OE1 GLU A 45 2.633 -3.403 -15.038 1.00 1.96 O ATOM 699 OE2 GLU A 45 1.616 -1.498 -14.661 1.00 1.76 O ATOM 0 H GLU A 45 2.810 -1.777 -10.416 1.00 0.35 H new ATOM 0 HA GLU A 45 1.229 -3.436 -12.033 1.00 0.41 H new ATOM 0 HB2 GLU A 45 4.233 -3.254 -11.560 1.00 0.51 H new ATOM 0 HB3 GLU A 45 3.520 -4.243 -12.819 1.00 0.51 H new ATOM 0 HG2 GLU A 45 2.985 -1.268 -12.605 1.00 0.73 H new ATOM 0 HG3 GLU A 45 4.360 -1.911 -13.482 1.00 0.73 H new ATOM 706 N TYR A 46 2.851 -4.958 -9.604 1.00 0.39 N ATOM 707 CA TYR A 46 2.953 -6.203 -8.854 1.00 0.42 C ATOM 708 C TYR A 46 1.597 -6.618 -8.291 1.00 0.40 C ATOM 709 O TYR A 46 1.180 -7.767 -8.438 1.00 0.45 O ATOM 710 CB TYR A 46 3.970 -6.057 -7.716 1.00 0.45 C ATOM 711 CG TYR A 46 4.227 -7.338 -6.951 1.00 0.59 C ATOM 712 CD1 TYR A 46 4.971 -8.367 -7.514 1.00 1.39 C ATOM 713 CD2 TYR A 46 3.722 -7.519 -5.670 1.00 1.06 C ATOM 714 CE1 TYR A 46 5.205 -9.540 -6.822 1.00 1.58 C ATOM 715 CE2 TYR A 46 3.953 -8.689 -4.971 1.00 1.12 C ATOM 716 CZ TYR A 46 4.695 -9.695 -5.551 1.00 1.03 C ATOM 717 OH TYR A 46 4.924 -10.864 -4.863 1.00 1.27 O ATOM 0 H TYR A 46 3.395 -4.188 -9.215 1.00 0.39 H new ATOM 0 HA TYR A 46 3.292 -6.981 -9.538 1.00 0.42 H new ATOM 0 HB2 TYR A 46 4.912 -5.697 -8.129 1.00 0.45 H new ATOM 0 HB3 TYR A 46 3.615 -5.296 -7.021 1.00 0.45 H new ATOM 0 HD1 TYR A 46 5.373 -8.248 -8.509 1.00 1.39 H new ATOM 0 HD2 TYR A 46 3.139 -6.733 -5.213 1.00 1.06 H new ATOM 0 HE1 TYR A 46 5.784 -10.331 -7.275 1.00 1.58 H new ATOM 0 HE2 TYR A 46 3.554 -8.814 -3.975 1.00 1.12 H new ATOM 0 HH TYR A 46 5.888 -11.038 -4.825 1.00 1.27 H new ATOM 727 N MET A 47 0.907 -5.674 -7.669 1.00 0.36 N ATOM 728 CA MET A 47 -0.397 -5.940 -7.065 1.00 0.39 C ATOM 729 C MET A 47 -1.447 -6.318 -8.112 1.00 0.37 C ATOM 730 O MET A 47 -2.462 -6.941 -7.790 1.00 0.43 O ATOM 731 CB MET A 47 -0.867 -4.716 -6.278 1.00 0.42 C ATOM 732 CG MET A 47 -0.018 -4.416 -5.052 1.00 0.57 C ATOM 733 SD MET A 47 -0.408 -5.484 -3.654 1.00 0.70 S ATOM 734 CE MET A 47 -1.991 -4.813 -3.153 1.00 0.37 C ATOM 0 H MET A 47 1.227 -4.711 -7.567 1.00 0.36 H new ATOM 0 HA MET A 47 -0.280 -6.789 -6.392 1.00 0.39 H new ATOM 0 HB2 MET A 47 -0.860 -3.847 -6.936 1.00 0.42 H new ATOM 0 HB3 MET A 47 -1.900 -4.870 -5.965 1.00 0.42 H new ATOM 0 HG2 MET A 47 1.035 -4.531 -5.308 1.00 0.57 H new ATOM 0 HG3 MET A 47 -0.164 -3.376 -4.760 1.00 0.57 H new ATOM 0 HE1 MET A 47 -2.612 -5.611 -2.745 1.00 0.37 H new ATOM 0 HE2 MET A 47 -1.837 -4.047 -2.393 1.00 0.37 H new ATOM 0 HE3 MET A 47 -2.489 -4.372 -4.016 1.00 0.37 H new ATOM 744 N LEU A 48 -1.200 -5.952 -9.366 1.00 0.37 N ATOM 745 CA LEU A 48 -2.137 -6.246 -10.445 1.00 0.41 C ATOM 746 C LEU A 48 -1.733 -7.503 -11.215 1.00 0.46 C ATOM 747 O LEU A 48 -2.418 -7.908 -12.156 1.00 0.59 O ATOM 748 CB LEU A 48 -2.240 -5.055 -11.405 1.00 0.45 C ATOM 749 CG LEU A 48 -2.706 -3.739 -10.772 1.00 0.57 C ATOM 750 CD1 LEU A 48 -2.880 -2.668 -11.838 1.00 0.63 C ATOM 751 CD2 LEU A 48 -4.004 -3.942 -10.002 1.00 0.88 C ATOM 0 H LEU A 48 -0.361 -5.452 -9.660 1.00 0.37 H new ATOM 0 HA LEU A 48 -3.112 -6.427 -9.992 1.00 0.41 H new ATOM 0 HB2 LEU A 48 -1.264 -4.893 -11.862 1.00 0.45 H new ATOM 0 HB3 LEU A 48 -2.929 -5.316 -12.208 1.00 0.45 H new ATOM 0 HG LEU A 48 -1.941 -3.407 -10.070 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -3.211 -1.740 -11.371 1.00 0.63 H new ATOM 0 HD12 LEU A 48 -1.929 -2.500 -12.344 1.00 0.63 H new ATOM 0 HD13 LEU A 48 -3.625 -2.995 -12.564 1.00 0.63 H new ATOM 0 HD21 LEU A 48 -4.317 -2.996 -9.561 1.00 0.88 H new ATOM 0 HD22 LEU A 48 -4.778 -4.299 -10.681 1.00 0.88 H new ATOM 0 HD23 LEU A 48 -3.847 -4.676 -9.212 1.00 0.88 H new ATOM 763 N ARG A 49 -0.635 -8.128 -10.812 1.00 0.46 N ATOM 764 CA ARG A 49 -0.165 -9.338 -11.476 1.00 0.53 C ATOM 765 C ARG A 49 -0.969 -10.549 -11.013 1.00 0.54 C ATOM 766 O ARG A 49 -1.214 -10.720 -9.818 1.00 0.49 O ATOM 767 CB ARG A 49 1.329 -9.560 -11.212 1.00 0.60 C ATOM 768 CG ARG A 49 2.229 -8.646 -12.029 1.00 0.74 C ATOM 769 CD ARG A 49 3.657 -8.632 -11.503 1.00 1.01 C ATOM 770 NE ARG A 49 4.456 -9.738 -12.038 1.00 1.38 N ATOM 771 CZ ARG A 49 5.792 -9.749 -12.079 1.00 1.90 C ATOM 772 NH1 ARG A 49 6.489 -8.717 -11.613 1.00 2.19 N ATOM 773 NH2 ARG A 49 6.433 -10.792 -12.597 1.00 2.69 N ATOM 0 H ARG A 49 -0.055 -7.820 -10.032 1.00 0.46 H new ATOM 0 HA ARG A 49 -0.309 -9.213 -12.549 1.00 0.53 H new ATOM 0 HB2 ARG A 49 1.530 -9.403 -10.152 1.00 0.60 H new ATOM 0 HB3 ARG A 49 1.579 -10.597 -11.434 1.00 0.60 H new ATOM 0 HG2 ARG A 49 2.229 -8.973 -13.069 1.00 0.74 H new ATOM 0 HG3 ARG A 49 1.827 -7.633 -12.013 1.00 0.74 H new ATOM 0 HD2 ARG A 49 4.129 -7.685 -11.765 1.00 1.01 H new ATOM 0 HD3 ARG A 49 3.642 -8.690 -10.415 1.00 1.01 H new ATOM 0 HE ARG A 49 3.961 -10.552 -12.403 1.00 1.38 H new ATOM 0 HH11 ARG A 49 6.004 -7.910 -11.221 1.00 2.19 H new ATOM 0 HH12 ARG A 49 7.508 -8.733 -11.648 1.00 2.19 H new ATOM 0 HH21 ARG A 49 5.905 -11.584 -12.963 1.00 2.69 H new ATOM 0 HH22 ARG A 49 7.452 -10.800 -12.628 1.00 2.69 H new ATOM 787 N PRO A 50 -1.379 -11.415 -11.955 1.00 0.65 N ATOM 788 CA PRO A 50 -2.168 -12.618 -11.646 1.00 0.71 C ATOM 789 C PRO A 50 -1.337 -13.719 -10.993 1.00 0.73 C ATOM 790 O PRO A 50 -1.817 -14.831 -10.779 1.00 0.78 O ATOM 791 CB PRO A 50 -2.664 -13.073 -13.019 1.00 0.89 C ATOM 792 CG PRO A 50 -1.629 -12.587 -13.973 1.00 0.94 C ATOM 793 CD PRO A 50 -1.116 -11.290 -13.404 1.00 0.77 C ATOM 0 HA PRO A 50 -2.963 -12.406 -10.931 1.00 0.71 H new ATOM 0 HB2 PRO A 50 -2.767 -14.157 -13.064 1.00 0.89 H new ATOM 0 HB3 PRO A 50 -3.643 -12.651 -13.247 1.00 0.89 H new ATOM 0 HG2 PRO A 50 -0.823 -13.313 -14.077 1.00 0.94 H new ATOM 0 HG3 PRO A 50 -2.053 -12.437 -14.966 1.00 0.94 H new ATOM 0 HD2 PRO A 50 -0.054 -11.156 -13.608 1.00 0.77 H new ATOM 0 HD3 PRO A 50 -1.634 -10.432 -13.832 1.00 0.77 H new ATOM 801 N SER A 51 -0.091 -13.404 -10.690 1.00 0.75 N ATOM 802 CA SER A 51 0.811 -14.354 -10.062 1.00 0.84 C ATOM 803 C SER A 51 0.962 -14.040 -8.577 1.00 0.76 C ATOM 804 O SER A 51 1.798 -14.624 -7.885 1.00 0.90 O ATOM 805 CB SER A 51 2.173 -14.300 -10.754 1.00 0.96 C ATOM 806 OG SER A 51 2.024 -14.042 -12.145 1.00 1.33 O ATOM 0 H SER A 51 0.323 -12.489 -10.870 1.00 0.75 H new ATOM 0 HA SER A 51 0.397 -15.358 -10.161 1.00 0.84 H new ATOM 0 HB2 SER A 51 2.786 -13.522 -10.299 1.00 0.96 H new ATOM 0 HB3 SER A 51 2.697 -15.245 -10.609 1.00 0.96 H new ATOM 0 HG SER A 51 2.907 -14.010 -12.568 1.00 1.33 H new ATOM 812 N VAL A 52 0.149 -13.109 -8.094 1.00 0.59 N ATOM 813 CA VAL A 52 0.195 -12.707 -6.695 1.00 0.56 C ATOM 814 C VAL A 52 -1.066 -13.147 -5.956 1.00 0.50 C ATOM 815 O VAL A 52 -2.184 -12.815 -6.357 1.00 0.51 O ATOM 816 CB VAL A 52 0.362 -11.177 -6.564 1.00 0.52 C ATOM 817 CG1 VAL A 52 0.462 -10.758 -5.105 1.00 0.58 C ATOM 818 CG2 VAL A 52 1.585 -10.708 -7.337 1.00 0.57 C ATOM 0 H VAL A 52 -0.550 -12.618 -8.651 1.00 0.59 H new ATOM 0 HA VAL A 52 1.058 -13.198 -6.244 1.00 0.56 H new ATOM 0 HB VAL A 52 -0.523 -10.704 -6.989 1.00 0.52 H new ATOM 0 HG11 VAL A 52 0.579 -9.676 -5.044 1.00 0.58 H new ATOM 0 HG12 VAL A 52 -0.445 -11.055 -4.578 1.00 0.58 H new ATOM 0 HG13 VAL A 52 1.324 -11.242 -4.646 1.00 0.58 H new ATOM 0 HG21 VAL A 52 1.688 -9.628 -7.234 1.00 0.57 H new ATOM 0 HG22 VAL A 52 2.475 -11.197 -6.941 1.00 0.57 H new ATOM 0 HG23 VAL A 52 1.469 -10.963 -8.390 1.00 0.57 H new ATOM 828 N ASN A 53 -0.877 -13.908 -4.884 1.00 0.51 N ATOM 829 CA ASN A 53 -1.987 -14.400 -4.075 1.00 0.52 C ATOM 830 C ASN A 53 -2.588 -13.271 -3.243 1.00 0.48 C ATOM 831 O ASN A 53 -1.903 -12.304 -2.908 1.00 0.47 O ATOM 832 CB ASN A 53 -1.509 -15.536 -3.162 1.00 0.61 C ATOM 833 CG ASN A 53 -2.638 -16.185 -2.379 1.00 1.09 C ATOM 834 OD1 ASN A 53 -2.955 -15.771 -1.263 1.00 1.80 O ATOM 835 ND2 ASN A 53 -3.248 -17.209 -2.953 1.00 1.64 N ATOM 0 H ASN A 53 0.042 -14.200 -4.553 1.00 0.51 H new ATOM 0 HA ASN A 53 -2.759 -14.783 -4.742 1.00 0.52 H new ATOM 0 HB2 ASN A 53 -1.011 -16.294 -3.766 1.00 0.61 H new ATOM 0 HB3 ASN A 53 -0.768 -15.146 -2.464 1.00 0.61 H new ATOM 0 HD21 ASN A 53 -4.010 -17.685 -2.470 1.00 1.64 H new ATOM 0 HD22 ASN A 53 -2.957 -17.523 -3.879 1.00 1.64 H new ATOM 842 N THR A 54 -3.865 -13.409 -2.902 1.00 0.48 N ATOM 843 CA THR A 54 -4.579 -12.410 -2.118 1.00 0.49 C ATOM 844 C THR A 54 -3.871 -12.098 -0.795 1.00 0.47 C ATOM 845 O THR A 54 -3.917 -10.968 -0.313 1.00 0.47 O ATOM 846 CB THR A 54 -6.012 -12.884 -1.826 1.00 0.57 C ATOM 847 OG1 THR A 54 -6.374 -13.924 -2.751 1.00 0.75 O ATOM 848 CG2 THR A 54 -6.997 -11.731 -1.941 1.00 0.81 C ATOM 0 H THR A 54 -4.433 -14.216 -3.161 1.00 0.48 H new ATOM 0 HA THR A 54 -4.602 -11.497 -2.713 1.00 0.49 H new ATOM 0 HB THR A 54 -6.049 -13.269 -0.807 1.00 0.57 H new ATOM 0 HG1 THR A 54 -7.287 -14.226 -2.562 1.00 0.75 H new ATOM 0 HG21 THR A 54 -8.004 -12.090 -1.730 1.00 0.81 H new ATOM 0 HG22 THR A 54 -6.732 -10.953 -1.225 1.00 0.81 H new ATOM 0 HG23 THR A 54 -6.962 -11.322 -2.951 1.00 0.81 H new ATOM 856 N ARG A 55 -3.209 -13.100 -0.221 1.00 0.50 N ATOM 857 CA ARG A 55 -2.489 -12.918 1.037 1.00 0.54 C ATOM 858 C ARG A 55 -1.347 -11.920 0.868 1.00 0.49 C ATOM 859 O ARG A 55 -1.132 -11.058 1.717 1.00 0.50 O ATOM 860 CB ARG A 55 -1.940 -14.254 1.545 1.00 0.65 C ATOM 861 CG ARG A 55 -2.582 -14.729 2.841 1.00 0.94 C ATOM 862 CD ARG A 55 -2.268 -13.799 4.003 1.00 1.52 C ATOM 863 NE ARG A 55 -0.840 -13.788 4.327 1.00 2.10 N ATOM 864 CZ ARG A 55 -0.354 -13.608 5.555 1.00 2.74 C ATOM 865 NH1 ARG A 55 -1.174 -13.436 6.589 1.00 3.00 N ATOM 866 NH2 ARG A 55 0.955 -13.610 5.753 1.00 3.58 N ATOM 0 H ARG A 55 -3.156 -14.043 -0.605 1.00 0.50 H new ATOM 0 HA ARG A 55 -3.193 -12.525 1.771 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -2.089 -15.013 0.777 1.00 0.65 H new ATOM 0 HB3 ARG A 55 -0.865 -14.160 1.696 1.00 0.65 H new ATOM 0 HG2 ARG A 55 -3.662 -14.793 2.709 1.00 0.94 H new ATOM 0 HG3 ARG A 55 -2.229 -15.734 3.074 1.00 0.94 H new ATOM 0 HD2 ARG A 55 -2.591 -12.788 3.756 1.00 1.52 H new ATOM 0 HD3 ARG A 55 -2.836 -14.110 4.880 1.00 1.52 H new ATOM 0 HE ARG A 55 -0.176 -13.927 3.565 1.00 2.10 H new ATOM 0 HH11 ARG A 55 -2.184 -13.441 6.445 1.00 3.00 H new ATOM 0 HH12 ARG A 55 -0.793 -13.299 7.525 1.00 3.00 H new ATOM 0 HH21 ARG A 55 1.590 -13.749 4.967 1.00 3.58 H new ATOM 0 HH22 ARG A 55 1.329 -13.472 6.692 1.00 3.58 H new ATOM 880 N ARG A 56 -0.625 -12.035 -0.243 1.00 0.49 N ATOM 881 CA ARG A 56 0.491 -11.139 -0.518 1.00 0.48 C ATOM 882 C ARG A 56 -0.013 -9.746 -0.863 1.00 0.43 C ATOM 883 O ARG A 56 0.662 -8.750 -0.600 1.00 0.46 O ATOM 884 CB ARG A 56 1.367 -11.685 -1.644 1.00 0.53 C ATOM 885 CG ARG A 56 2.313 -12.784 -1.185 1.00 0.67 C ATOM 886 CD ARG A 56 3.762 -12.453 -1.514 1.00 0.84 C ATOM 887 NE ARG A 56 4.059 -12.644 -2.932 1.00 1.55 N ATOM 888 CZ ARG A 56 4.244 -13.834 -3.501 1.00 2.18 C ATOM 889 NH1 ARG A 56 4.201 -14.943 -2.769 1.00 2.58 N ATOM 890 NH2 ARG A 56 4.485 -13.910 -4.803 1.00 3.05 N ATOM 0 H ARG A 56 -0.793 -12.737 -0.964 1.00 0.49 H new ATOM 0 HA ARG A 56 1.100 -11.073 0.384 1.00 0.48 H new ATOM 0 HB2 ARG A 56 0.728 -12.072 -2.438 1.00 0.53 H new ATOM 0 HB3 ARG A 56 1.949 -10.869 -2.072 1.00 0.53 H new ATOM 0 HG2 ARG A 56 2.208 -12.929 -0.110 1.00 0.67 H new ATOM 0 HG3 ARG A 56 2.037 -13.724 -1.662 1.00 0.67 H new ATOM 0 HD2 ARG A 56 3.970 -11.420 -1.236 1.00 0.84 H new ATOM 0 HD3 ARG A 56 4.422 -13.083 -0.917 1.00 0.84 H new ATOM 0 HE ARG A 56 4.129 -11.815 -3.522 1.00 1.55 H new ATOM 0 HH11 ARG A 56 4.026 -14.885 -1.766 1.00 2.58 H new ATOM 0 HH12 ARG A 56 4.343 -15.851 -3.211 1.00 2.58 H new ATOM 0 HH21 ARG A 56 4.528 -13.059 -5.364 1.00 3.05 H new ATOM 0 HH22 ARG A 56 4.627 -14.819 -5.243 1.00 3.05 H new ATOM 904 N LYS A 57 -1.204 -9.677 -1.449 1.00 0.38 N ATOM 905 CA LYS A 57 -1.803 -8.396 -1.794 1.00 0.36 C ATOM 906 C LYS A 57 -2.105 -7.619 -0.516 1.00 0.35 C ATOM 907 O LYS A 57 -1.994 -6.394 -0.474 1.00 0.36 O ATOM 908 CB LYS A 57 -3.083 -8.593 -2.614 1.00 0.37 C ATOM 909 CG LYS A 57 -2.853 -9.267 -3.960 1.00 0.39 C ATOM 910 CD LYS A 57 -3.928 -8.887 -4.967 1.00 0.59 C ATOM 911 CE LYS A 57 -3.780 -9.662 -6.267 1.00 0.50 C ATOM 912 NZ LYS A 57 -4.441 -8.966 -7.403 1.00 0.46 N ATOM 0 H LYS A 57 -1.770 -10.490 -1.693 1.00 0.38 H new ATOM 0 HA LYS A 57 -1.099 -7.831 -2.405 1.00 0.36 H new ATOM 0 HB2 LYS A 57 -3.786 -9.191 -2.034 1.00 0.37 H new ATOM 0 HB3 LYS A 57 -3.550 -7.622 -2.779 1.00 0.37 H new ATOM 0 HG2 LYS A 57 -1.874 -8.983 -4.347 1.00 0.39 H new ATOM 0 HG3 LYS A 57 -2.843 -10.349 -3.829 1.00 0.39 H new ATOM 0 HD2 LYS A 57 -4.912 -9.079 -4.539 1.00 0.59 H new ATOM 0 HD3 LYS A 57 -3.873 -7.818 -5.172 1.00 0.59 H new ATOM 0 HE2 LYS A 57 -2.722 -9.798 -6.490 1.00 0.50 H new ATOM 0 HE3 LYS A 57 -4.212 -10.656 -6.149 1.00 0.50 H new ATOM 0 HZ1 LYS A 57 -4.605 -9.642 -8.176 1.00 0.46 H new ATOM 0 HZ2 LYS A 57 -5.351 -8.574 -7.088 1.00 0.46 H new ATOM 0 HZ3 LYS A 57 -3.830 -8.195 -7.741 1.00 0.46 H new ATOM 926 N LEU A 58 -2.472 -8.348 0.530 1.00 0.36 N ATOM 927 CA LEU A 58 -2.765 -7.741 1.816 1.00 0.37 C ATOM 928 C LEU A 58 -1.480 -7.167 2.408 1.00 0.37 C ATOM 929 O LEU A 58 -1.467 -6.066 2.963 1.00 0.38 O ATOM 930 CB LEU A 58 -3.370 -8.780 2.762 1.00 0.42 C ATOM 931 CG LEU A 58 -3.843 -8.235 4.110 1.00 0.77 C ATOM 932 CD1 LEU A 58 -5.143 -7.461 3.948 1.00 1.26 C ATOM 933 CD2 LEU A 58 -4.013 -9.370 5.111 1.00 1.15 C ATOM 0 H LEU A 58 -2.573 -9.363 0.510 1.00 0.36 H new ATOM 0 HA LEU A 58 -3.488 -6.936 1.682 1.00 0.37 H new ATOM 0 HB2 LEU A 58 -4.215 -9.254 2.263 1.00 0.42 H new ATOM 0 HB3 LEU A 58 -2.629 -9.559 2.943 1.00 0.42 H new ATOM 0 HG LEU A 58 -3.085 -7.551 4.492 1.00 0.77 H new ATOM 0 HD11 LEU A 58 -5.464 -7.081 4.918 1.00 1.26 H new ATOM 0 HD12 LEU A 58 -4.987 -6.626 3.265 1.00 1.26 H new ATOM 0 HD13 LEU A 58 -5.911 -8.121 3.545 1.00 1.26 H new ATOM 0 HD21 LEU A 58 -4.350 -8.966 6.066 1.00 1.15 H new ATOM 0 HD22 LEU A 58 -4.752 -10.078 4.736 1.00 1.15 H new ATOM 0 HD23 LEU A 58 -3.059 -9.879 5.249 1.00 1.15 H new ATOM 945 N LEU A 59 -0.398 -7.927 2.262 1.00 0.38 N ATOM 946 CA LEU A 59 0.912 -7.520 2.755 1.00 0.40 C ATOM 947 C LEU A 59 1.378 -6.268 2.025 1.00 0.37 C ATOM 948 O LEU A 59 1.870 -5.320 2.643 1.00 0.38 O ATOM 949 CB LEU A 59 1.933 -8.646 2.557 1.00 0.45 C ATOM 950 CG LEU A 59 2.155 -9.562 3.765 1.00 0.63 C ATOM 951 CD1 LEU A 59 0.867 -10.266 4.162 1.00 1.54 C ATOM 952 CD2 LEU A 59 3.244 -10.578 3.453 1.00 1.21 C ATOM 0 H LEU A 59 -0.405 -8.837 1.801 1.00 0.38 H new ATOM 0 HA LEU A 59 0.829 -7.305 3.820 1.00 0.40 H new ATOM 0 HB2 LEU A 59 1.612 -9.258 1.714 1.00 0.45 H new ATOM 0 HB3 LEU A 59 2.889 -8.200 2.282 1.00 0.45 H new ATOM 0 HG LEU A 59 2.473 -8.949 4.608 1.00 0.63 H new ATOM 0 HD11 LEU A 59 1.054 -10.909 5.022 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.112 -9.524 4.422 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.510 -10.870 3.328 1.00 1.54 H new ATOM 0 HD21 LEU A 59 3.396 -11.225 4.317 1.00 1.21 H new ATOM 0 HD22 LEU A 59 2.944 -11.181 2.596 1.00 1.21 H new ATOM 0 HD23 LEU A 59 4.173 -10.056 3.223 1.00 1.21 H new ATOM 964 N GLY A 60 1.208 -6.269 0.703 1.00 0.37 N ATOM 965 CA GLY A 60 1.602 -5.131 -0.107 1.00 0.37 C ATOM 966 C GLY A 60 0.831 -3.880 0.261 1.00 0.35 C ATOM 967 O GLY A 60 1.370 -2.773 0.220 1.00 0.36 O ATOM 0 H GLY A 60 0.802 -7.044 0.178 1.00 0.37 H new ATOM 0 HA2 GLY A 60 2.669 -4.949 0.018 1.00 0.37 H new ATOM 0 HA3 GLY A 60 1.439 -5.361 -1.160 1.00 0.37 H new ATOM 971 N LEU A 61 -0.433 -4.061 0.618 1.00 0.35 N ATOM 972 CA LEU A 61 -1.288 -2.950 1.018 1.00 0.36 C ATOM 973 C LEU A 61 -0.748 -2.322 2.298 1.00 0.35 C ATOM 974 O LEU A 61 -0.656 -1.099 2.418 1.00 0.36 O ATOM 975 CB LEU A 61 -2.720 -3.447 1.242 1.00 0.40 C ATOM 976 CG LEU A 61 -3.837 -2.496 0.790 1.00 0.52 C ATOM 977 CD1 LEU A 61 -5.196 -3.145 0.999 1.00 1.23 C ATOM 978 CD2 LEU A 61 -3.766 -1.171 1.540 1.00 1.10 C ATOM 0 H LEU A 61 -0.892 -4.972 0.639 1.00 0.35 H new ATOM 0 HA LEU A 61 -1.295 -2.200 0.227 1.00 0.36 H new ATOM 0 HB2 LEU A 61 -2.841 -4.395 0.717 1.00 0.40 H new ATOM 0 HB3 LEU A 61 -2.851 -3.652 2.305 1.00 0.40 H new ATOM 0 HG LEU A 61 -3.700 -2.292 -0.272 1.00 0.52 H new ATOM 0 HD11 LEU A 61 -5.980 -2.461 0.675 1.00 1.23 H new ATOM 0 HD12 LEU A 61 -5.253 -4.065 0.417 1.00 1.23 H new ATOM 0 HD13 LEU A 61 -5.330 -3.376 2.056 1.00 1.23 H new ATOM 0 HD21 LEU A 61 -4.569 -0.517 1.200 1.00 1.10 H new ATOM 0 HD22 LEU A 61 -3.874 -1.352 2.609 1.00 1.10 H new ATOM 0 HD23 LEU A 61 -2.804 -0.695 1.348 1.00 1.10 H new ATOM 990 N TYR A 62 -0.370 -3.172 3.243 1.00 0.36 N ATOM 991 CA TYR A 62 0.160 -2.713 4.519 1.00 0.37 C ATOM 992 C TYR A 62 1.495 -2.002 4.335 1.00 0.34 C ATOM 993 O TYR A 62 1.797 -1.046 5.048 1.00 0.35 O ATOM 994 CB TYR A 62 0.309 -3.886 5.487 1.00 0.44 C ATOM 995 CG TYR A 62 -1.013 -4.466 5.949 1.00 0.53 C ATOM 996 CD1 TYR A 62 -2.134 -3.657 6.108 1.00 1.30 C ATOM 997 CD2 TYR A 62 -1.139 -5.821 6.233 1.00 1.23 C ATOM 998 CE1 TYR A 62 -3.338 -4.181 6.534 1.00 1.38 C ATOM 999 CE2 TYR A 62 -2.342 -6.351 6.662 1.00 1.35 C ATOM 1000 CZ TYR A 62 -3.438 -5.525 6.809 1.00 0.89 C ATOM 1001 OH TYR A 62 -4.637 -6.047 7.233 1.00 1.10 O ATOM 0 H TYR A 62 -0.421 -4.186 3.149 1.00 0.36 H new ATOM 0 HA TYR A 62 -0.547 -1.998 4.941 1.00 0.37 H new ATOM 0 HB2 TYR A 62 0.892 -4.671 5.005 1.00 0.44 H new ATOM 0 HB3 TYR A 62 0.876 -3.557 6.358 1.00 0.44 H new ATOM 0 HD1 TYR A 62 -2.061 -2.601 5.894 1.00 1.30 H new ATOM 0 HD2 TYR A 62 -0.284 -6.470 6.117 1.00 1.23 H new ATOM 0 HE1 TYR A 62 -4.198 -3.538 6.651 1.00 1.38 H new ATOM 0 HE2 TYR A 62 -2.424 -7.405 6.881 1.00 1.35 H new ATOM 0 HH TYR A 62 -4.492 -6.588 8.037 1.00 1.10 H new ATOM 1011 N LEU A 63 2.282 -2.468 3.374 1.00 0.33 N ATOM 1012 CA LEU A 63 3.574 -1.862 3.083 1.00 0.34 C ATOM 1013 C LEU A 63 3.374 -0.430 2.595 1.00 0.32 C ATOM 1014 O LEU A 63 4.074 0.488 3.019 1.00 0.35 O ATOM 1015 CB LEU A 63 4.319 -2.682 2.030 1.00 0.36 C ATOM 1016 CG LEU A 63 5.733 -2.196 1.706 1.00 0.52 C ATOM 1017 CD1 LEU A 63 6.664 -2.423 2.886 1.00 1.21 C ATOM 1018 CD2 LEU A 63 6.266 -2.896 0.468 1.00 1.45 C ATOM 0 H LEU A 63 2.047 -3.265 2.782 1.00 0.33 H new ATOM 0 HA LEU A 63 4.172 -1.846 3.994 1.00 0.34 H new ATOM 0 HB2 LEU A 63 4.377 -3.716 2.371 1.00 0.36 H new ATOM 0 HB3 LEU A 63 3.733 -2.682 1.111 1.00 0.36 H new ATOM 0 HG LEU A 63 5.688 -1.125 1.506 1.00 0.52 H new ATOM 0 HD11 LEU A 63 7.664 -2.070 2.634 1.00 1.21 H new ATOM 0 HD12 LEU A 63 6.294 -1.875 3.752 1.00 1.21 H new ATOM 0 HD13 LEU A 63 6.703 -3.487 3.119 1.00 1.21 H new ATOM 0 HD21 LEU A 63 7.273 -2.538 0.253 1.00 1.45 H new ATOM 0 HD22 LEU A 63 6.293 -3.972 0.641 1.00 1.45 H new ATOM 0 HD23 LEU A 63 5.615 -2.681 -0.380 1.00 1.45 H new ATOM 1030 N MET A 64 2.398 -0.254 1.707 1.00 0.31 N ATOM 1031 CA MET A 64 2.080 1.061 1.168 1.00 0.34 C ATOM 1032 C MET A 64 1.562 1.967 2.281 1.00 0.32 C ATOM 1033 O MET A 64 1.968 3.119 2.395 1.00 0.33 O ATOM 1034 CB MET A 64 1.038 0.939 0.055 1.00 0.38 C ATOM 1035 CG MET A 64 0.743 2.249 -0.662 1.00 0.61 C ATOM 1036 SD MET A 64 -0.605 3.181 0.093 1.00 0.47 S ATOM 1037 CE MET A 64 -1.999 2.103 -0.223 1.00 0.50 C ATOM 0 H MET A 64 1.814 -1.009 1.347 1.00 0.31 H new ATOM 0 HA MET A 64 2.985 1.500 0.748 1.00 0.34 H new ATOM 0 HB2 MET A 64 1.385 0.207 -0.675 1.00 0.38 H new ATOM 0 HB3 MET A 64 0.112 0.552 0.479 1.00 0.38 H new ATOM 0 HG2 MET A 64 1.643 2.864 -0.668 1.00 0.61 H new ATOM 0 HG3 MET A 64 0.494 2.039 -1.702 1.00 0.61 H new ATOM 0 HE1 MET A 64 -2.763 2.649 -0.777 1.00 0.50 H new ATOM 0 HE2 MET A 64 -1.670 1.244 -0.808 1.00 0.50 H new ATOM 0 HE3 MET A 64 -2.415 1.759 0.724 1.00 0.50 H new ATOM 1047 N ASN A 65 0.676 1.418 3.111 1.00 0.34 N ATOM 1048 CA ASN A 65 0.095 2.159 4.230 1.00 0.36 C ATOM 1049 C ASN A 65 1.183 2.678 5.166 1.00 0.35 C ATOM 1050 O ASN A 65 1.114 3.804 5.651 1.00 0.41 O ATOM 1051 CB ASN A 65 -0.880 1.262 5.007 1.00 0.42 C ATOM 1052 CG ASN A 65 -1.249 1.824 6.373 1.00 1.06 C ATOM 1053 OD1 ASN A 65 -2.072 2.728 6.481 1.00 1.56 O ATOM 1054 ND2 ASN A 65 -0.652 1.280 7.427 1.00 1.69 N ATOM 0 H ASN A 65 0.343 0.457 3.029 1.00 0.34 H new ATOM 0 HA ASN A 65 -0.447 3.014 3.827 1.00 0.36 H new ATOM 0 HB2 ASN A 65 -1.788 1.127 4.419 1.00 0.42 H new ATOM 0 HB3 ASN A 65 -0.434 0.276 5.135 1.00 0.42 H new ATOM 0 HD21 ASN A 65 -0.873 1.612 8.366 1.00 1.69 H new ATOM 0 HD22 ASN A 65 0.027 0.530 7.298 1.00 1.69 H new ATOM 1061 N HIS A 66 2.195 1.858 5.392 1.00 0.34 N ATOM 1062 CA HIS A 66 3.289 2.223 6.275 1.00 0.37 C ATOM 1063 C HIS A 66 4.115 3.372 5.696 1.00 0.36 C ATOM 1064 O HIS A 66 4.303 4.401 6.350 1.00 0.40 O ATOM 1065 CB HIS A 66 4.186 1.010 6.525 1.00 0.44 C ATOM 1066 CG HIS A 66 4.738 0.942 7.916 1.00 0.61 C ATOM 1067 ND1 HIS A 66 5.207 2.061 8.563 1.00 1.54 N ATOM 1068 CD2 HIS A 66 4.865 -0.127 8.736 1.00 1.09 C ATOM 1069 CE1 HIS A 66 5.601 1.652 9.755 1.00 1.46 C ATOM 1070 NE2 HIS A 66 5.413 0.336 9.901 1.00 1.04 N ATOM 0 H HIS A 66 2.282 0.931 4.974 1.00 0.34 H new ATOM 0 HA HIS A 66 2.860 2.559 7.219 1.00 0.37 H new ATOM 0 HB2 HIS A 66 3.617 0.102 6.325 1.00 0.44 H new ATOM 0 HB3 HIS A 66 5.014 1.030 5.816 1.00 0.44 H new ATOM 0 HD2 HIS A 66 4.588 -1.147 8.514 1.00 1.09 H new ATOM 0 HE1 HIS A 66 6.021 2.296 10.513 1.00 1.46 H new ATOM 0 HE2 HIS A 66 5.637 -0.219 10.727 1.00 1.04 H new ATOM 1078 N VAL A 67 4.569 3.215 4.455 1.00 0.35 N ATOM 1079 CA VAL A 67 5.400 4.232 3.815 1.00 0.39 C ATOM 1080 C VAL A 67 4.670 5.566 3.631 1.00 0.39 C ATOM 1081 O VAL A 67 5.290 6.621 3.740 1.00 0.48 O ATOM 1082 CB VAL A 67 5.982 3.762 2.461 1.00 0.42 C ATOM 1083 CG1 VAL A 67 6.834 2.517 2.647 1.00 1.16 C ATOM 1084 CG2 VAL A 67 4.888 3.513 1.434 1.00 1.40 C ATOM 0 H VAL A 67 4.377 2.398 3.875 1.00 0.35 H new ATOM 0 HA VAL A 67 6.228 4.392 4.505 1.00 0.39 H new ATOM 0 HB VAL A 67 6.614 4.564 2.080 1.00 0.42 H new ATOM 0 HG11 VAL A 67 7.234 2.203 1.683 1.00 1.16 H new ATOM 0 HG12 VAL A 67 7.657 2.738 3.327 1.00 1.16 H new ATOM 0 HG13 VAL A 67 6.223 1.717 3.065 1.00 1.16 H new ATOM 0 HG21 VAL A 67 5.337 3.184 0.497 1.00 1.40 H new ATOM 0 HG22 VAL A 67 4.212 2.742 1.803 1.00 1.40 H new ATOM 0 HG23 VAL A 67 4.330 4.434 1.266 1.00 1.40 H new ATOM 1094 N VAL A 68 3.366 5.531 3.362 1.00 0.34 N ATOM 1095 CA VAL A 68 2.616 6.775 3.182 1.00 0.37 C ATOM 1096 C VAL A 68 2.290 7.417 4.530 1.00 0.39 C ATOM 1097 O VAL A 68 2.100 8.633 4.620 1.00 0.43 O ATOM 1098 CB VAL A 68 1.312 6.585 2.368 1.00 0.38 C ATOM 1099 CG1 VAL A 68 1.620 6.077 0.966 1.00 0.41 C ATOM 1100 CG2 VAL A 68 0.344 5.656 3.082 1.00 0.37 C ATOM 0 H VAL A 68 2.816 4.677 3.265 1.00 0.34 H new ATOM 0 HA VAL A 68 3.266 7.436 2.608 1.00 0.37 H new ATOM 0 HB VAL A 68 0.830 7.559 2.280 1.00 0.38 H new ATOM 0 HG11 VAL A 68 0.690 5.951 0.412 1.00 0.41 H new ATOM 0 HG12 VAL A 68 2.255 6.797 0.450 1.00 0.41 H new ATOM 0 HG13 VAL A 68 2.136 5.119 1.031 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -0.561 5.544 2.484 1.00 0.37 H new ATOM 0 HG22 VAL A 68 0.811 4.681 3.220 1.00 0.37 H new ATOM 0 HG23 VAL A 68 0.087 6.076 4.054 1.00 0.37 H new ATOM 1110 N GLN A 69 2.240 6.603 5.578 1.00 0.39 N ATOM 1111 CA GLN A 69 1.953 7.100 6.915 1.00 0.45 C ATOM 1112 C GLN A 69 3.186 7.780 7.492 1.00 0.45 C ATOM 1113 O GLN A 69 3.109 8.883 8.041 1.00 0.50 O ATOM 1114 CB GLN A 69 1.504 5.953 7.826 1.00 0.52 C ATOM 1115 CG GLN A 69 1.179 6.388 9.245 1.00 0.82 C ATOM 1116 CD GLN A 69 0.575 5.275 10.081 1.00 1.26 C ATOM 1117 OE1 GLN A 69 -0.222 5.533 10.984 1.00 1.83 O ATOM 1118 NE2 GLN A 69 0.943 4.036 9.794 1.00 2.02 N ATOM 0 H GLN A 69 2.395 5.596 5.526 1.00 0.39 H new ATOM 0 HA GLN A 69 1.144 7.828 6.853 1.00 0.45 H new ATOM 0 HB2 GLN A 69 0.624 5.479 7.391 1.00 0.52 H new ATOM 0 HB3 GLN A 69 2.290 5.198 7.858 1.00 0.52 H new ATOM 0 HG2 GLN A 69 2.089 6.745 9.727 1.00 0.82 H new ATOM 0 HG3 GLN A 69 0.485 7.228 9.212 1.00 0.82 H new ATOM 0 HE21 GLN A 69 1.606 3.863 9.038 1.00 2.02 H new ATOM 0 HE22 GLN A 69 0.564 3.255 10.329 1.00 2.02 H new ATOM 1127 N GLN A 70 4.329 7.120 7.342 1.00 0.44 N ATOM 1128 CA GLN A 70 5.595 7.643 7.842 1.00 0.49 C ATOM 1129 C GLN A 70 6.105 8.768 6.952 1.00 0.46 C ATOM 1130 O GLN A 70 6.977 9.542 7.354 1.00 0.49 O ATOM 1131 CB GLN A 70 6.639 6.525 7.922 1.00 0.58 C ATOM 1132 CG GLN A 70 6.246 5.393 8.860 1.00 0.78 C ATOM 1133 CD GLN A 70 6.066 5.861 10.290 1.00 1.39 C ATOM 1134 OE1 GLN A 70 4.976 6.267 10.695 1.00 2.10 O ATOM 1135 NE2 GLN A 70 7.133 5.803 11.069 1.00 2.02 N ATOM 0 H GLN A 70 4.405 6.216 6.875 1.00 0.44 H new ATOM 0 HA GLN A 70 5.426 8.042 8.842 1.00 0.49 H new ATOM 0 HB2 GLN A 70 6.802 6.119 6.924 1.00 0.58 H new ATOM 0 HB3 GLN A 70 7.588 6.948 8.253 1.00 0.58 H new ATOM 0 HG2 GLN A 70 5.318 4.941 8.510 1.00 0.78 H new ATOM 0 HG3 GLN A 70 7.011 4.617 8.828 1.00 0.78 H new ATOM 0 HE21 GLN A 70 8.019 5.461 10.696 1.00 2.02 H new ATOM 0 HE22 GLN A 70 7.070 6.101 12.043 1.00 2.02 H new ATOM 1144 N ALA A 71 5.548 8.858 5.746 1.00 0.46 N ATOM 1145 CA ALA A 71 5.935 9.891 4.792 1.00 0.47 C ATOM 1146 C ALA A 71 5.668 11.274 5.361 1.00 0.46 C ATOM 1147 O ALA A 71 6.416 12.216 5.102 1.00 0.48 O ATOM 1148 CB ALA A 71 5.192 9.714 3.477 1.00 0.51 C ATOM 0 H ALA A 71 4.824 8.224 5.407 1.00 0.46 H new ATOM 0 HA ALA A 71 7.004 9.792 4.603 1.00 0.47 H new ATOM 0 HB1 ALA A 71 5.495 10.495 2.780 1.00 0.51 H new ATOM 0 HB2 ALA A 71 5.429 8.738 3.054 1.00 0.51 H new ATOM 0 HB3 ALA A 71 4.119 9.782 3.654 1.00 0.51 H new ATOM 1154 N LYS A 72 4.605 11.387 6.151 1.00 0.49 N ATOM 1155 CA LYS A 72 4.245 12.658 6.768 1.00 0.55 C ATOM 1156 C LYS A 72 5.281 13.051 7.816 1.00 0.54 C ATOM 1157 O LYS A 72 5.488 14.235 8.089 1.00 0.59 O ATOM 1158 CB LYS A 72 2.858 12.581 7.414 1.00 0.66 C ATOM 1159 CG LYS A 72 1.766 13.311 6.640 1.00 0.84 C ATOM 1160 CD LYS A 72 2.183 14.730 6.273 1.00 1.07 C ATOM 1161 CE LYS A 72 0.981 15.600 5.935 1.00 1.60 C ATOM 1162 NZ LYS A 72 0.214 15.985 7.149 1.00 2.09 N ATOM 0 H LYS A 72 3.979 10.615 6.379 1.00 0.49 H new ATOM 0 HA LYS A 72 4.221 13.416 5.985 1.00 0.55 H new ATOM 0 HB2 LYS A 72 2.576 11.533 7.518 1.00 0.66 H new ATOM 0 HB3 LYS A 72 2.915 12.997 8.420 1.00 0.66 H new ATOM 0 HG2 LYS A 72 1.531 12.755 5.732 1.00 0.84 H new ATOM 0 HG3 LYS A 72 0.856 13.343 7.239 1.00 0.84 H new ATOM 0 HD2 LYS A 72 2.732 15.174 7.103 1.00 1.07 H new ATOM 0 HD3 LYS A 72 2.862 14.701 5.421 1.00 1.07 H new ATOM 0 HE2 LYS A 72 1.318 16.499 5.419 1.00 1.60 H new ATOM 0 HE3 LYS A 72 0.327 15.064 5.248 1.00 1.60 H new ATOM 0 HZ1 LYS A 72 -0.467 16.733 6.907 1.00 2.09 H new ATOM 0 HZ2 LYS A 72 -0.297 15.156 7.514 1.00 2.09 H new ATOM 0 HZ3 LYS A 72 0.869 16.336 7.877 1.00 2.09 H new ATOM 1176 N GLY A 73 5.936 12.048 8.390 1.00 0.54 N ATOM 1177 CA GLY A 73 6.947 12.291 9.397 1.00 0.59 C ATOM 1178 C GLY A 73 8.158 12.987 8.820 1.00 0.56 C ATOM 1179 O GLY A 73 8.650 13.965 9.384 1.00 0.66 O ATOM 0 H GLY A 73 5.781 11.064 8.172 1.00 0.54 H new ATOM 0 HA2 GLY A 73 6.525 12.900 10.197 1.00 0.59 H new ATOM 0 HA3 GLY A 73 7.250 11.344 9.843 1.00 0.59 H new ATOM 1183 N GLN A 74 8.623 12.487 7.680 1.00 0.52 N ATOM 1184 CA GLN A 74 9.782 13.064 7.007 1.00 0.55 C ATOM 1185 C GLN A 74 9.348 14.191 6.076 1.00 0.51 C ATOM 1186 O GLN A 74 10.180 14.887 5.492 1.00 0.56 O ATOM 1187 CB GLN A 74 10.527 11.989 6.221 1.00 0.62 C ATOM 1188 CG GLN A 74 11.256 10.987 7.106 1.00 0.80 C ATOM 1189 CD GLN A 74 11.938 9.894 6.311 1.00 0.94 C ATOM 1190 OE1 GLN A 74 12.311 10.091 5.155 1.00 1.62 O ATOM 1191 NE2 GLN A 74 12.127 8.740 6.929 1.00 1.42 N ATOM 0 H GLN A 74 8.215 11.683 7.202 1.00 0.52 H new ATOM 0 HA GLN A 74 10.453 13.474 7.762 1.00 0.55 H new ATOM 0 HB2 GLN A 74 9.818 11.455 5.589 1.00 0.62 H new ATOM 0 HB3 GLN A 74 11.247 12.468 5.558 1.00 0.62 H new ATOM 0 HG2 GLN A 74 11.999 11.512 7.706 1.00 0.80 H new ATOM 0 HG3 GLN A 74 10.546 10.537 7.800 1.00 0.80 H new ATOM 0 HE21 GLN A 74 11.803 8.616 7.888 1.00 1.42 H new ATOM 0 HE22 GLN A 74 12.597 7.974 6.446 1.00 1.42 H new ATOM 1200 N LYS A 75 8.030 14.344 5.944 1.00 0.47 N ATOM 1201 CA LYS A 75 7.425 15.379 5.107 1.00 0.50 C ATOM 1202 C LYS A 75 7.706 15.141 3.624 1.00 0.47 C ATOM 1203 O LYS A 75 7.713 16.078 2.823 1.00 0.54 O ATOM 1204 CB LYS A 75 7.899 16.773 5.525 1.00 0.62 C ATOM 1205 CG LYS A 75 7.241 17.284 6.796 1.00 0.77 C ATOM 1206 CD LYS A 75 8.055 16.932 8.032 1.00 1.33 C ATOM 1207 CE LYS A 75 7.303 17.259 9.309 1.00 1.99 C ATOM 1208 NZ LYS A 75 6.548 16.089 9.823 1.00 2.70 N ATOM 0 H LYS A 75 7.349 13.750 6.417 1.00 0.47 H new ATOM 0 HA LYS A 75 6.347 15.323 5.256 1.00 0.50 H new ATOM 0 HB2 LYS A 75 8.979 16.752 5.668 1.00 0.62 H new ATOM 0 HB3 LYS A 75 7.698 17.474 4.715 1.00 0.62 H new ATOM 0 HG2 LYS A 75 7.122 18.366 6.735 1.00 0.77 H new ATOM 0 HG3 LYS A 75 6.242 16.858 6.885 1.00 0.77 H new ATOM 0 HD2 LYS A 75 8.301 15.870 8.016 1.00 1.33 H new ATOM 0 HD3 LYS A 75 8.998 17.478 8.015 1.00 1.33 H new ATOM 0 HE2 LYS A 75 8.008 17.598 10.068 1.00 1.99 H new ATOM 0 HE3 LYS A 75 6.614 18.083 9.123 1.00 1.99 H new ATOM 0 HZ1 LYS A 75 5.881 16.401 10.558 1.00 2.70 H new ATOM 0 HZ2 LYS A 75 6.021 15.646 9.043 1.00 2.70 H new ATOM 0 HZ3 LYS A 75 7.212 15.399 10.229 1.00 2.70 H new ATOM 1222 N ILE A 76 7.909 13.884 3.257 1.00 0.42 N ATOM 1223 CA ILE A 76 8.172 13.531 1.872 1.00 0.42 C ATOM 1224 C ILE A 76 6.865 13.140 1.194 1.00 0.38 C ATOM 1225 O ILE A 76 6.488 11.965 1.165 1.00 0.40 O ATOM 1226 CB ILE A 76 9.189 12.373 1.751 1.00 0.46 C ATOM 1227 CG1 ILE A 76 10.433 12.652 2.602 1.00 0.55 C ATOM 1228 CG2 ILE A 76 9.580 12.155 0.295 1.00 0.49 C ATOM 1229 CD1 ILE A 76 11.216 13.877 2.171 1.00 0.63 C ATOM 0 H ILE A 76 7.896 13.092 3.900 1.00 0.42 H new ATOM 0 HA ILE A 76 8.607 14.402 1.381 1.00 0.42 H new ATOM 0 HB ILE A 76 8.716 11.464 2.123 1.00 0.46 H new ATOM 0 HG12 ILE A 76 10.129 12.776 3.641 1.00 0.55 H new ATOM 0 HG13 ILE A 76 11.089 11.782 2.563 1.00 0.55 H new ATOM 0 HG21 ILE A 76 10.296 11.336 0.229 1.00 0.49 H new ATOM 0 HG22 ILE A 76 8.692 11.908 -0.287 1.00 0.49 H new ATOM 0 HG23 ILE A 76 10.032 13.065 -0.101 1.00 0.49 H new ATOM 0 HD11 ILE A 76 12.080 14.005 2.823 1.00 0.63 H new ATOM 0 HD12 ILE A 76 11.553 13.750 1.142 1.00 0.63 H new ATOM 0 HD13 ILE A 76 10.578 14.758 2.237 1.00 0.63 H new ATOM 1241 N ILE A 77 6.172 14.134 0.655 1.00 0.40 N ATOM 1242 CA ILE A 77 4.888 13.908 -0.002 1.00 0.42 C ATOM 1243 C ILE A 77 5.055 13.207 -1.344 1.00 0.39 C ATOM 1244 O ILE A 77 4.076 12.783 -1.952 1.00 0.40 O ATOM 1245 CB ILE A 77 4.107 15.222 -0.211 1.00 0.52 C ATOM 1246 CG1 ILE A 77 4.979 16.263 -0.914 1.00 0.59 C ATOM 1247 CG2 ILE A 77 3.606 15.757 1.124 1.00 0.57 C ATOM 1248 CD1 ILE A 77 4.193 17.412 -1.501 1.00 0.86 C ATOM 0 H ILE A 77 6.477 15.107 0.659 1.00 0.40 H new ATOM 0 HA ILE A 77 4.318 13.263 0.667 1.00 0.42 H new ATOM 0 HB ILE A 77 3.246 15.014 -0.847 1.00 0.52 H new ATOM 0 HG12 ILE A 77 5.706 16.656 -0.203 1.00 0.59 H new ATOM 0 HG13 ILE A 77 5.543 15.775 -1.709 1.00 0.59 H new ATOM 0 HG21 ILE A 77 3.057 16.684 0.961 1.00 0.57 H new ATOM 0 HG22 ILE A 77 2.948 15.022 1.587 1.00 0.57 H new ATOM 0 HG23 ILE A 77 4.455 15.948 1.781 1.00 0.57 H new ATOM 0 HD11 ILE A 77 4.876 18.111 -1.984 1.00 0.86 H new ATOM 0 HD12 ILE A 77 3.485 17.030 -2.237 1.00 0.86 H new ATOM 0 HD13 ILE A 77 3.650 17.925 -0.707 1.00 0.86 H new ATOM 1260 N GLN A 78 6.298 13.075 -1.794 1.00 0.41 N ATOM 1261 CA GLN A 78 6.586 12.417 -3.062 1.00 0.43 C ATOM 1262 C GLN A 78 6.094 10.978 -3.036 1.00 0.36 C ATOM 1263 O GLN A 78 5.657 10.439 -4.056 1.00 0.36 O ATOM 1264 CB GLN A 78 8.086 12.455 -3.362 1.00 0.52 C ATOM 1265 CG GLN A 78 8.547 13.753 -4.009 1.00 0.81 C ATOM 1266 CD GLN A 78 8.344 14.962 -3.116 1.00 1.36 C ATOM 1267 OE1 GLN A 78 7.296 15.605 -3.147 1.00 2.22 O ATOM 1268 NE2 GLN A 78 9.346 15.283 -2.315 1.00 1.73 N ATOM 0 H GLN A 78 7.122 13.415 -1.299 1.00 0.41 H new ATOM 0 HA GLN A 78 6.061 12.954 -3.852 1.00 0.43 H new ATOM 0 HB2 GLN A 78 8.637 12.306 -2.434 1.00 0.52 H new ATOM 0 HB3 GLN A 78 8.338 11.622 -4.019 1.00 0.52 H new ATOM 0 HG2 GLN A 78 9.603 13.670 -4.265 1.00 0.81 H new ATOM 0 HG3 GLN A 78 8.003 13.901 -4.942 1.00 0.81 H new ATOM 0 HE21 GLN A 78 10.200 14.725 -2.318 1.00 1.73 H new ATOM 0 HE22 GLN A 78 9.265 16.088 -1.694 1.00 1.73 H new ATOM 1277 N PHE A 79 6.159 10.364 -1.859 1.00 0.36 N ATOM 1278 CA PHE A 79 5.700 8.996 -1.688 1.00 0.36 C ATOM 1279 C PHE A 79 4.187 8.945 -1.822 1.00 0.33 C ATOM 1280 O PHE A 79 3.643 8.138 -2.568 1.00 0.36 O ATOM 1281 CB PHE A 79 6.103 8.458 -0.312 1.00 0.42 C ATOM 1282 CG PHE A 79 7.518 7.961 -0.236 1.00 0.40 C ATOM 1283 CD1 PHE A 79 7.911 6.843 -0.951 1.00 1.24 C ATOM 1284 CD2 PHE A 79 8.451 8.609 0.556 1.00 1.29 C ATOM 1285 CE1 PHE A 79 9.208 6.379 -0.877 1.00 1.30 C ATOM 1286 CE2 PHE A 79 9.750 8.151 0.633 1.00 1.34 C ATOM 1287 CZ PHE A 79 10.129 7.035 -0.085 1.00 0.64 C ATOM 0 H PHE A 79 6.526 10.795 -1.011 1.00 0.36 H new ATOM 0 HA PHE A 79 6.163 8.378 -2.457 1.00 0.36 H new ATOM 0 HB2 PHE A 79 5.966 9.246 0.428 1.00 0.42 H new ATOM 0 HB3 PHE A 79 5.429 7.645 -0.040 1.00 0.42 H new ATOM 0 HD1 PHE A 79 7.194 6.328 -1.574 1.00 1.24 H new ATOM 0 HD2 PHE A 79 8.158 9.483 1.120 1.00 1.29 H new ATOM 0 HE1 PHE A 79 9.502 5.504 -1.438 1.00 1.30 H new ATOM 0 HE2 PHE A 79 10.469 8.665 1.254 1.00 1.34 H new ATOM 0 HZ PHE A 79 11.146 6.675 -0.027 1.00 0.64 H new ATOM 1297 N GLN A 80 3.524 9.846 -1.109 1.00 0.33 N ATOM 1298 CA GLN A 80 2.069 9.921 -1.108 1.00 0.38 C ATOM 1299 C GLN A 80 1.527 10.308 -2.480 1.00 0.33 C ATOM 1300 O GLN A 80 0.447 9.881 -2.870 1.00 0.39 O ATOM 1301 CB GLN A 80 1.602 10.914 -0.048 1.00 0.48 C ATOM 1302 CG GLN A 80 2.090 10.563 1.347 1.00 0.60 C ATOM 1303 CD GLN A 80 1.846 11.668 2.353 1.00 0.75 C ATOM 1304 OE1 GLN A 80 1.876 12.851 2.015 1.00 1.30 O ATOM 1305 NE2 GLN A 80 1.606 11.292 3.597 1.00 1.11 N ATOM 0 H GLN A 80 3.977 10.543 -0.518 1.00 0.33 H new ATOM 0 HA GLN A 80 1.678 8.932 -0.870 1.00 0.38 H new ATOM 0 HB2 GLN A 80 1.955 11.911 -0.311 1.00 0.48 H new ATOM 0 HB3 GLN A 80 0.513 10.952 -0.048 1.00 0.48 H new ATOM 0 HG2 GLN A 80 1.589 9.655 1.684 1.00 0.60 H new ATOM 0 HG3 GLN A 80 3.157 10.343 1.308 1.00 0.60 H new ATOM 0 HE21 GLN A 80 1.590 10.301 3.836 1.00 1.11 H new ATOM 0 HE22 GLN A 80 1.437 11.993 4.318 1.00 1.11 H new ATOM 1314 N ASP A 81 2.285 11.112 -3.210 1.00 0.33 N ATOM 1315 CA ASP A 81 1.879 11.541 -4.541 1.00 0.35 C ATOM 1316 C ASP A 81 2.002 10.388 -5.532 1.00 0.32 C ATOM 1317 O ASP A 81 1.036 10.033 -6.212 1.00 0.37 O ATOM 1318 CB ASP A 81 2.730 12.727 -5.013 1.00 0.41 C ATOM 1319 CG ASP A 81 2.463 13.107 -6.461 1.00 0.52 C ATOM 1320 OD1 ASP A 81 3.139 12.564 -7.359 1.00 1.16 O ATOM 1321 OD2 ASP A 81 1.580 13.955 -6.708 1.00 1.32 O ATOM 0 H ASP A 81 3.185 11.481 -2.904 1.00 0.33 H new ATOM 0 HA ASP A 81 0.837 11.857 -4.492 1.00 0.35 H new ATOM 0 HB2 ASP A 81 2.531 13.587 -4.374 1.00 0.41 H new ATOM 0 HB3 ASP A 81 3.785 12.480 -4.896 1.00 0.41 H new ATOM 1326 N SER A 82 3.187 9.786 -5.584 1.00 0.31 N ATOM 1327 CA SER A 82 3.458 8.682 -6.498 1.00 0.32 C ATOM 1328 C SER A 82 2.593 7.463 -6.186 1.00 0.29 C ATOM 1329 O SER A 82 2.059 6.823 -7.093 1.00 0.30 O ATOM 1330 CB SER A 82 4.937 8.303 -6.437 1.00 0.36 C ATOM 1331 OG SER A 82 5.759 9.442 -6.633 1.00 0.94 O ATOM 0 H SER A 82 3.980 10.047 -4.999 1.00 0.31 H new ATOM 0 HA SER A 82 3.209 9.017 -7.505 1.00 0.32 H new ATOM 0 HB2 SER A 82 5.161 7.850 -5.471 1.00 0.36 H new ATOM 0 HB3 SER A 82 5.157 7.555 -7.199 1.00 0.36 H new ATOM 0 HG SER A 82 5.837 9.938 -5.791 1.00 0.94 H new ATOM 1337 N PHE A 83 2.450 7.148 -4.906 1.00 0.27 N ATOM 1338 CA PHE A 83 1.648 6.003 -4.499 1.00 0.26 C ATOM 1339 C PHE A 83 0.164 6.333 -4.547 1.00 0.26 C ATOM 1340 O PHE A 83 -0.656 5.460 -4.789 1.00 0.30 O ATOM 1341 CB PHE A 83 2.034 5.535 -3.092 1.00 0.27 C ATOM 1342 CG PHE A 83 3.208 4.595 -3.070 1.00 0.28 C ATOM 1343 CD1 PHE A 83 3.040 3.247 -3.357 1.00 1.21 C ATOM 1344 CD2 PHE A 83 4.480 5.054 -2.763 1.00 1.21 C ATOM 1345 CE1 PHE A 83 4.116 2.378 -3.335 1.00 1.22 C ATOM 1346 CE2 PHE A 83 5.558 4.189 -2.741 1.00 1.23 C ATOM 1347 CZ PHE A 83 5.377 2.851 -3.029 1.00 0.37 C ATOM 0 H PHE A 83 2.876 7.665 -4.137 1.00 0.27 H new ATOM 0 HA PHE A 83 1.848 5.195 -5.202 1.00 0.26 H new ATOM 0 HB2 PHE A 83 2.266 6.406 -2.479 1.00 0.27 H new ATOM 0 HB3 PHE A 83 1.176 5.042 -2.634 1.00 0.27 H new ATOM 0 HD1 PHE A 83 2.057 2.872 -3.600 1.00 1.21 H new ATOM 0 HD2 PHE A 83 4.630 6.100 -2.538 1.00 1.21 H new ATOM 0 HE1 PHE A 83 3.970 1.331 -3.557 1.00 1.22 H new ATOM 0 HE2 PHE A 83 6.543 4.560 -2.498 1.00 1.23 H new ATOM 0 HZ PHE A 83 6.220 2.176 -3.015 1.00 0.37 H new ATOM 1357 N GLY A 84 -0.175 7.596 -4.340 1.00 0.27 N ATOM 1358 CA GLY A 84 -1.568 8.009 -4.348 1.00 0.30 C ATOM 1359 C GLY A 84 -2.235 7.847 -5.700 1.00 0.30 C ATOM 1360 O GLY A 84 -3.377 7.388 -5.783 1.00 0.34 O ATOM 0 H GLY A 84 0.491 8.348 -4.165 1.00 0.27 H new ATOM 0 HA2 GLY A 84 -2.117 7.426 -3.608 1.00 0.30 H new ATOM 0 HA3 GLY A 84 -1.632 9.053 -4.042 1.00 0.30 H new ATOM 1364 N LYS A 85 -1.522 8.200 -6.764 1.00 0.31 N ATOM 1365 CA LYS A 85 -2.070 8.110 -8.116 1.00 0.36 C ATOM 1366 C LYS A 85 -2.268 6.659 -8.560 1.00 0.34 C ATOM 1367 O LYS A 85 -3.012 6.388 -9.504 1.00 0.43 O ATOM 1368 CB LYS A 85 -1.178 8.864 -9.112 1.00 0.42 C ATOM 1369 CG LYS A 85 0.259 8.360 -9.179 1.00 0.48 C ATOM 1370 CD LYS A 85 1.160 9.312 -9.957 1.00 0.62 C ATOM 1371 CE LYS A 85 1.238 10.675 -9.288 1.00 0.96 C ATOM 1372 NZ LYS A 85 2.490 11.395 -9.628 1.00 1.31 N ATOM 0 H LYS A 85 -0.565 8.551 -6.719 1.00 0.31 H new ATOM 0 HA LYS A 85 -3.053 8.580 -8.099 1.00 0.36 H new ATOM 0 HB2 LYS A 85 -1.622 8.792 -10.105 1.00 0.42 H new ATOM 0 HB3 LYS A 85 -1.167 9.920 -8.844 1.00 0.42 H new ATOM 0 HG2 LYS A 85 0.648 8.237 -8.168 1.00 0.48 H new ATOM 0 HG3 LYS A 85 0.277 7.377 -9.650 1.00 0.48 H new ATOM 0 HD2 LYS A 85 2.160 8.886 -10.035 1.00 0.62 H new ATOM 0 HD3 LYS A 85 0.781 9.425 -10.973 1.00 0.62 H new ATOM 0 HE2 LYS A 85 0.381 11.276 -9.591 1.00 0.96 H new ATOM 0 HE3 LYS A 85 1.174 10.552 -8.207 1.00 0.96 H new ATOM 0 HZ1 LYS A 85 2.687 12.112 -8.901 1.00 1.31 H new ATOM 0 HZ2 LYS A 85 3.279 10.719 -9.670 1.00 1.31 H new ATOM 0 HZ3 LYS A 85 2.383 11.860 -10.552 1.00 1.31 H new ATOM 1386 N VAL A 86 -1.605 5.727 -7.885 1.00 0.28 N ATOM 1387 CA VAL A 86 -1.736 4.316 -8.227 1.00 0.29 C ATOM 1388 C VAL A 86 -2.545 3.563 -7.170 1.00 0.27 C ATOM 1389 O VAL A 86 -3.085 2.490 -7.442 1.00 0.28 O ATOM 1390 CB VAL A 86 -0.364 3.631 -8.418 1.00 0.31 C ATOM 1391 CG1 VAL A 86 0.389 4.254 -9.582 1.00 0.38 C ATOM 1392 CG2 VAL A 86 0.476 3.696 -7.151 1.00 0.31 C ATOM 0 H VAL A 86 -0.977 5.920 -7.105 1.00 0.28 H new ATOM 0 HA VAL A 86 -2.268 4.278 -9.178 1.00 0.29 H new ATOM 0 HB VAL A 86 -0.551 2.581 -8.641 1.00 0.31 H new ATOM 0 HG11 VAL A 86 1.352 3.758 -9.700 1.00 0.38 H new ATOM 0 HG12 VAL A 86 -0.193 4.138 -10.496 1.00 0.38 H new ATOM 0 HG13 VAL A 86 0.549 5.314 -9.386 1.00 0.38 H new ATOM 0 HG21 VAL A 86 1.433 3.204 -7.324 1.00 0.31 H new ATOM 0 HG22 VAL A 86 0.647 4.738 -6.881 1.00 0.31 H new ATOM 0 HG23 VAL A 86 -0.050 3.192 -6.340 1.00 0.31 H new ATOM 1402 N ALA A 87 -2.639 4.140 -5.973 1.00 0.29 N ATOM 1403 CA ALA A 87 -3.383 3.533 -4.873 1.00 0.30 C ATOM 1404 C ALA A 87 -4.848 3.364 -5.236 1.00 0.28 C ATOM 1405 O ALA A 87 -5.431 2.313 -4.993 1.00 0.28 O ATOM 1406 CB ALA A 87 -3.252 4.366 -3.605 1.00 0.38 C ATOM 0 H ALA A 87 -2.205 5.033 -5.740 1.00 0.29 H new ATOM 0 HA ALA A 87 -2.956 2.547 -4.688 1.00 0.30 H new ATOM 0 HB1 ALA A 87 -3.815 3.894 -2.800 1.00 0.38 H new ATOM 0 HB2 ALA A 87 -2.202 4.435 -3.322 1.00 0.38 H new ATOM 0 HB3 ALA A 87 -3.646 5.366 -3.785 1.00 0.38 H new ATOM 1412 N ALA A 88 -5.431 4.410 -5.822 1.00 0.32 N ATOM 1413 CA ALA A 88 -6.833 4.383 -6.232 1.00 0.36 C ATOM 1414 C ALA A 88 -7.103 3.191 -7.145 1.00 0.34 C ATOM 1415 O ALA A 88 -8.095 2.479 -6.983 1.00 0.44 O ATOM 1416 CB ALA A 88 -7.211 5.684 -6.928 1.00 0.45 C ATOM 0 H ALA A 88 -4.952 5.288 -6.023 1.00 0.32 H new ATOM 0 HA ALA A 88 -7.449 4.278 -5.339 1.00 0.36 H new ATOM 0 HB1 ALA A 88 -8.259 5.646 -7.226 1.00 0.45 H new ATOM 0 HB2 ALA A 88 -7.058 6.520 -6.245 1.00 0.45 H new ATOM 0 HB3 ALA A 88 -6.587 5.819 -7.811 1.00 0.45 H new ATOM 1422 N GLU A 89 -6.195 2.975 -8.091 1.00 0.30 N ATOM 1423 CA GLU A 89 -6.308 1.869 -9.032 1.00 0.32 C ATOM 1424 C GLU A 89 -6.232 0.538 -8.292 1.00 0.29 C ATOM 1425 O GLU A 89 -7.166 -0.257 -8.335 1.00 0.32 O ATOM 1426 CB GLU A 89 -5.191 1.947 -10.080 1.00 0.39 C ATOM 1427 CG GLU A 89 -5.179 0.788 -11.068 1.00 0.55 C ATOM 1428 CD GLU A 89 -6.333 0.838 -12.050 1.00 0.88 C ATOM 1429 OE1 GLU A 89 -6.772 1.954 -12.398 1.00 1.56 O ATOM 1430 OE2 GLU A 89 -6.803 -0.238 -12.485 1.00 1.56 O ATOM 0 H GLU A 89 -5.368 3.556 -8.226 1.00 0.30 H new ATOM 0 HA GLU A 89 -7.272 1.940 -9.537 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -5.292 2.880 -10.634 1.00 0.39 H new ATOM 0 HB3 GLU A 89 -4.230 1.983 -9.568 1.00 0.39 H new ATOM 0 HG2 GLU A 89 -4.239 0.797 -11.619 1.00 0.55 H new ATOM 0 HG3 GLU A 89 -5.217 -0.152 -10.518 1.00 0.55 H new ATOM 1437 N VAL A 90 -5.124 0.331 -7.588 1.00 0.27 N ATOM 1438 CA VAL A 90 -4.896 -0.904 -6.840 1.00 0.28 C ATOM 1439 C VAL A 90 -6.044 -1.211 -5.878 1.00 0.27 C ATOM 1440 O VAL A 90 -6.580 -2.320 -5.886 1.00 0.30 O ATOM 1441 CB VAL A 90 -3.568 -0.841 -6.050 1.00 0.29 C ATOM 1442 CG1 VAL A 90 -3.395 -2.069 -5.168 1.00 0.34 C ATOM 1443 CG2 VAL A 90 -2.390 -0.701 -7.002 1.00 0.32 C ATOM 0 H VAL A 90 -4.364 1.007 -7.519 1.00 0.27 H new ATOM 0 HA VAL A 90 -4.840 -1.706 -7.576 1.00 0.28 H new ATOM 0 HB VAL A 90 -3.602 0.036 -5.403 1.00 0.29 H new ATOM 0 HG11 VAL A 90 -2.453 -1.997 -4.625 1.00 0.34 H new ATOM 0 HG12 VAL A 90 -4.220 -2.126 -4.458 1.00 0.34 H new ATOM 0 HG13 VAL A 90 -3.388 -2.965 -5.789 1.00 0.34 H new ATOM 0 HG21 VAL A 90 -1.463 -0.658 -6.430 1.00 0.32 H new ATOM 0 HG22 VAL A 90 -2.362 -1.558 -7.675 1.00 0.32 H new ATOM 0 HG23 VAL A 90 -2.500 0.214 -7.584 1.00 0.32 H new ATOM 1453 N LEU A 91 -6.429 -0.227 -5.072 1.00 0.26 N ATOM 1454 CA LEU A 91 -7.502 -0.411 -4.101 1.00 0.28 C ATOM 1455 C LEU A 91 -8.822 -0.765 -4.781 1.00 0.27 C ATOM 1456 O LEU A 91 -9.537 -1.654 -4.324 1.00 0.30 O ATOM 1457 CB LEU A 91 -7.665 0.844 -3.236 1.00 0.31 C ATOM 1458 CG LEU A 91 -6.525 1.094 -2.243 1.00 0.53 C ATOM 1459 CD1 LEU A 91 -6.645 2.478 -1.627 1.00 1.45 C ATOM 1460 CD2 LEU A 91 -6.515 0.030 -1.155 1.00 0.89 C ATOM 0 H LEU A 91 -6.015 0.705 -5.072 1.00 0.26 H new ATOM 0 HA LEU A 91 -7.226 -1.248 -3.459 1.00 0.28 H new ATOM 0 HB2 LEU A 91 -7.753 1.711 -3.891 1.00 0.31 H new ATOM 0 HB3 LEU A 91 -8.600 0.767 -2.682 1.00 0.31 H new ATOM 0 HG LEU A 91 -5.583 1.038 -2.788 1.00 0.53 H new ATOM 0 HD11 LEU A 91 -5.826 2.636 -0.925 1.00 1.45 H new ATOM 0 HD12 LEU A 91 -6.599 3.231 -2.413 1.00 1.45 H new ATOM 0 HD13 LEU A 91 -7.596 2.561 -1.100 1.00 1.45 H new ATOM 0 HD21 LEU A 91 -5.698 0.227 -0.461 1.00 0.89 H new ATOM 0 HD22 LEU A 91 -7.462 0.052 -0.616 1.00 0.89 H new ATOM 0 HD23 LEU A 91 -6.378 -0.952 -1.608 1.00 0.89 H new ATOM 1472 N GLY A 92 -9.130 -0.088 -5.881 1.00 0.28 N ATOM 1473 CA GLY A 92 -10.364 -0.358 -6.597 1.00 0.31 C ATOM 1474 C GLY A 92 -10.363 -1.731 -7.247 1.00 0.33 C ATOM 1475 O GLY A 92 -11.422 -2.318 -7.487 1.00 0.41 O ATOM 0 H GLY A 92 -8.548 0.643 -6.290 1.00 0.28 H new ATOM 0 HA2 GLY A 92 -11.205 -0.285 -5.908 1.00 0.31 H new ATOM 0 HA3 GLY A 92 -10.512 0.404 -7.362 1.00 0.31 H new ATOM 1479 N ARG A 93 -9.172 -2.243 -7.529 1.00 0.31 N ATOM 1480 CA ARG A 93 -9.023 -3.549 -8.157 1.00 0.37 C ATOM 1481 C ARG A 93 -9.091 -4.668 -7.125 1.00 0.37 C ATOM 1482 O ARG A 93 -9.923 -5.570 -7.231 1.00 0.42 O ATOM 1483 CB ARG A 93 -7.689 -3.630 -8.906 1.00 0.43 C ATOM 1484 CG ARG A 93 -7.550 -2.619 -10.032 1.00 0.59 C ATOM 1485 CD ARG A 93 -8.202 -3.105 -11.311 1.00 0.95 C ATOM 1486 NE ARG A 93 -7.517 -4.275 -11.857 1.00 1.84 N ATOM 1487 CZ ARG A 93 -6.634 -4.227 -12.852 1.00 2.40 C ATOM 1488 NH1 ARG A 93 -6.295 -3.059 -13.398 1.00 2.41 N ATOM 1489 NH2 ARG A 93 -6.071 -5.349 -13.287 1.00 3.46 N ATOM 0 H ARG A 93 -8.290 -1.770 -7.331 1.00 0.31 H new ATOM 0 HA ARG A 93 -9.846 -3.673 -8.861 1.00 0.37 H new ATOM 0 HB2 ARG A 93 -6.876 -3.481 -8.196 1.00 0.43 H new ATOM 0 HB3 ARG A 93 -7.575 -4.633 -9.316 1.00 0.43 H new ATOM 0 HG2 ARG A 93 -8.003 -1.675 -9.730 1.00 0.59 H new ATOM 0 HG3 ARG A 93 -6.494 -2.422 -10.215 1.00 0.59 H new ATOM 0 HD2 ARG A 93 -9.245 -3.352 -11.116 1.00 0.95 H new ATOM 0 HD3 ARG A 93 -8.197 -2.303 -12.049 1.00 0.95 H new ATOM 0 HE ARG A 93 -7.729 -5.186 -11.450 1.00 1.84 H new ATOM 0 HH11 ARG A 93 -6.713 -2.195 -13.054 1.00 2.41 H new ATOM 0 HH12 ARG A 93 -5.618 -3.030 -14.160 1.00 2.41 H new ATOM 0 HH21 ARG A 93 -6.316 -6.242 -12.859 1.00 3.46 H new ATOM 0 HH22 ARG A 93 -5.394 -5.318 -14.049 1.00 3.46 H new ATOM 1503 N ILE A 94 -8.234 -4.583 -6.111 1.00 0.36 N ATOM 1504 CA ILE A 94 -8.169 -5.608 -5.072 1.00 0.40 C ATOM 1505 C ILE A 94 -9.436 -5.658 -4.227 1.00 0.39 C ATOM 1506 O ILE A 94 -9.711 -6.664 -3.585 1.00 0.43 O ATOM 1507 CB ILE A 94 -6.944 -5.424 -4.149 1.00 0.44 C ATOM 1508 CG1 ILE A 94 -7.032 -4.097 -3.390 1.00 0.40 C ATOM 1509 CG2 ILE A 94 -5.656 -5.500 -4.960 1.00 0.49 C ATOM 1510 CD1 ILE A 94 -5.868 -3.851 -2.454 1.00 0.50 C ATOM 0 H ILE A 94 -7.575 -3.815 -5.986 1.00 0.36 H new ATOM 0 HA ILE A 94 -8.069 -6.555 -5.602 1.00 0.40 H new ATOM 0 HB ILE A 94 -6.938 -6.231 -3.416 1.00 0.44 H new ATOM 0 HG12 ILE A 94 -7.086 -3.280 -4.110 1.00 0.40 H new ATOM 0 HG13 ILE A 94 -7.958 -4.078 -2.816 1.00 0.40 H new ATOM 0 HG21 ILE A 94 -4.801 -5.369 -4.297 1.00 0.49 H new ATOM 0 HG22 ILE A 94 -5.591 -6.472 -5.449 1.00 0.49 H new ATOM 0 HG23 ILE A 94 -5.654 -4.714 -5.715 1.00 0.49 H new ATOM 0 HD11 ILE A 94 -6.001 -2.892 -1.952 1.00 0.50 H new ATOM 0 HD12 ILE A 94 -5.825 -4.647 -1.710 1.00 0.50 H new ATOM 0 HD13 ILE A 94 -4.939 -3.836 -3.024 1.00 0.50 H new ATOM 1522 N ASN A 95 -10.216 -4.580 -4.240 1.00 0.36 N ATOM 1523 CA ASN A 95 -11.464 -4.530 -3.477 1.00 0.40 C ATOM 1524 C ASN A 95 -12.446 -5.579 -3.997 1.00 0.43 C ATOM 1525 O ASN A 95 -13.321 -6.046 -3.274 1.00 0.51 O ATOM 1526 CB ASN A 95 -12.091 -3.130 -3.559 1.00 0.43 C ATOM 1527 CG ASN A 95 -13.394 -3.015 -2.788 1.00 0.59 C ATOM 1528 OD1 ASN A 95 -13.399 -2.848 -1.571 1.00 1.00 O ATOM 1529 ND2 ASN A 95 -14.511 -3.081 -3.496 1.00 0.79 N ATOM 0 H ASN A 95 -10.009 -3.732 -4.767 1.00 0.36 H new ATOM 0 HA ASN A 95 -11.238 -4.748 -2.433 1.00 0.40 H new ATOM 0 HB2 ASN A 95 -11.382 -2.398 -3.173 1.00 0.43 H new ATOM 0 HB3 ASN A 95 -12.271 -2.880 -4.604 1.00 0.43 H new ATOM 0 HD21 ASN A 95 -15.415 -2.992 -3.032 1.00 0.79 H new ATOM 0 HD22 ASN A 95 -14.467 -3.221 -4.505 1.00 0.79 H new ATOM 1536 N GLN A 96 -12.272 -5.968 -5.253 1.00 0.42 N ATOM 1537 CA GLN A 96 -13.139 -6.958 -5.873 1.00 0.48 C ATOM 1538 C GLN A 96 -12.580 -8.365 -5.676 1.00 0.49 C ATOM 1539 O GLN A 96 -13.278 -9.358 -5.885 1.00 0.66 O ATOM 1540 CB GLN A 96 -13.285 -6.658 -7.366 1.00 0.59 C ATOM 1541 CG GLN A 96 -13.610 -5.200 -7.668 1.00 0.93 C ATOM 1542 CD GLN A 96 -13.748 -4.923 -9.151 1.00 0.85 C ATOM 1543 OE1 GLN A 96 -14.241 -5.756 -9.912 1.00 1.11 O ATOM 1544 NE2 GLN A 96 -13.294 -3.755 -9.577 1.00 1.14 N ATOM 0 H GLN A 96 -11.536 -5.611 -5.863 1.00 0.42 H new ATOM 0 HA GLN A 96 -14.119 -6.907 -5.398 1.00 0.48 H new ATOM 0 HB2 GLN A 96 -12.359 -6.928 -7.874 1.00 0.59 H new ATOM 0 HB3 GLN A 96 -14.071 -7.290 -7.780 1.00 0.59 H new ATOM 0 HG2 GLN A 96 -14.538 -4.928 -7.165 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -12.826 -4.565 -7.256 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -12.892 -3.092 -8.914 1.00 1.14 H new ATOM 0 HE22 GLN A 96 -13.346 -3.518 -10.568 1.00 1.14 H new ATOM 1553 N GLU A 97 -11.319 -8.439 -5.265 1.00 0.42 N ATOM 1554 CA GLU A 97 -10.654 -9.720 -5.051 1.00 0.48 C ATOM 1555 C GLU A 97 -10.591 -10.063 -3.567 1.00 0.44 C ATOM 1556 O GLU A 97 -10.558 -11.236 -3.191 1.00 0.54 O ATOM 1557 CB GLU A 97 -9.235 -9.683 -5.629 1.00 0.56 C ATOM 1558 CG GLU A 97 -9.126 -8.944 -6.954 1.00 0.74 C ATOM 1559 CD GLU A 97 -7.713 -8.926 -7.496 1.00 0.72 C ATOM 1560 OE1 GLU A 97 -6.898 -8.104 -7.027 1.00 1.30 O ATOM 1561 OE2 GLU A 97 -7.404 -9.744 -8.385 1.00 1.33 O ATOM 0 H GLU A 97 -10.735 -7.625 -5.073 1.00 0.42 H new ATOM 0 HA GLU A 97 -11.234 -10.489 -5.561 1.00 0.48 H new ATOM 0 HB2 GLU A 97 -8.571 -9.210 -4.905 1.00 0.56 H new ATOM 0 HB3 GLU A 97 -8.882 -10.705 -5.765 1.00 0.56 H new ATOM 0 HG2 GLU A 97 -9.785 -9.415 -7.684 1.00 0.74 H new ATOM 0 HG3 GLU A 97 -9.474 -7.919 -6.824 1.00 0.74 H new ATOM 1568 N PHE A 98 -10.557 -9.036 -2.731 1.00 0.38 N ATOM 1569 CA PHE A 98 -10.486 -9.213 -1.288 1.00 0.43 C ATOM 1570 C PHE A 98 -11.793 -9.765 -0.730 1.00 0.49 C ATOM 1571 O PHE A 98 -12.853 -9.164 -0.901 1.00 0.52 O ATOM 1572 CB PHE A 98 -10.151 -7.884 -0.603 1.00 0.46 C ATOM 1573 CG PHE A 98 -8.676 -7.599 -0.507 1.00 0.47 C ATOM 1574 CD1 PHE A 98 -7.783 -8.143 -1.419 1.00 1.22 C ATOM 1575 CD2 PHE A 98 -8.184 -6.780 0.495 1.00 1.34 C ATOM 1576 CE1 PHE A 98 -6.432 -7.875 -1.333 1.00 1.21 C ATOM 1577 CE2 PHE A 98 -6.832 -6.510 0.587 1.00 1.39 C ATOM 1578 CZ PHE A 98 -5.955 -7.058 -0.329 1.00 0.56 C ATOM 0 H PHE A 98 -10.578 -8.061 -3.031 1.00 0.38 H new ATOM 0 HA PHE A 98 -9.695 -9.934 -1.083 1.00 0.43 H new ATOM 0 HB2 PHE A 98 -10.632 -7.074 -1.150 1.00 0.46 H new ATOM 0 HB3 PHE A 98 -10.576 -7.887 0.401 1.00 0.46 H new ATOM 0 HD1 PHE A 98 -8.150 -8.785 -2.206 1.00 1.22 H new ATOM 0 HD2 PHE A 98 -8.865 -6.347 1.213 1.00 1.34 H new ATOM 0 HE1 PHE A 98 -5.749 -8.304 -2.051 1.00 1.21 H new ATOM 0 HE2 PHE A 98 -6.461 -5.871 1.375 1.00 1.39 H new ATOM 0 HZ PHE A 98 -4.898 -6.847 -0.259 1.00 0.56 H new ATOM 1588 N PRO A 99 -11.731 -10.927 -0.059 1.00 0.58 N ATOM 1589 CA PRO A 99 -12.909 -11.550 0.538 1.00 0.70 C ATOM 1590 C PRO A 99 -13.440 -10.743 1.721 1.00 0.77 C ATOM 1591 O PRO A 99 -12.826 -9.757 2.136 1.00 1.47 O ATOM 1592 CB PRO A 99 -12.402 -12.917 1.004 1.00 0.78 C ATOM 1593 CG PRO A 99 -10.936 -12.742 1.181 1.00 0.82 C ATOM 1594 CD PRO A 99 -10.515 -11.734 0.149 1.00 0.63 C ATOM 0 HA PRO A 99 -13.739 -11.615 -0.166 1.00 0.70 H new ATOM 0 HB2 PRO A 99 -12.879 -13.218 1.936 1.00 0.78 H new ATOM 0 HB3 PRO A 99 -12.621 -13.691 0.269 1.00 0.78 H new ATOM 0 HG2 PRO A 99 -10.703 -12.392 2.187 1.00 0.82 H new ATOM 0 HG3 PRO A 99 -10.410 -13.687 1.042 1.00 0.82 H new ATOM 0 HD2 PRO A 99 -9.683 -11.123 0.500 1.00 0.63 H new ATOM 0 HD3 PRO A 99 -10.190 -12.215 -0.773 1.00 0.63 H new ATOM 1602 N ARG A 100 -14.563 -11.190 2.276 1.00 0.63 N ATOM 1603 CA ARG A 100 -15.211 -10.521 3.408 1.00 0.65 C ATOM 1604 C ARG A 100 -14.245 -10.296 4.574 1.00 0.61 C ATOM 1605 O ARG A 100 -14.400 -9.354 5.346 1.00 0.76 O ATOM 1606 CB ARG A 100 -16.421 -11.338 3.878 1.00 0.83 C ATOM 1607 CG ARG A 100 -16.059 -12.726 4.386 1.00 1.54 C ATOM 1608 CD ARG A 100 -17.132 -13.750 4.052 1.00 2.05 C ATOM 1609 NE ARG A 100 -16.699 -15.107 4.385 1.00 2.97 N ATOM 1610 CZ ARG A 100 -16.166 -15.963 3.513 1.00 3.79 C ATOM 1611 NH1 ARG A 100 -16.038 -15.630 2.230 1.00 3.82 N ATOM 1612 NH2 ARG A 100 -15.761 -17.157 3.926 1.00 4.87 N ATOM 0 H ARG A 100 -15.052 -12.026 1.956 1.00 0.63 H new ATOM 0 HA ARG A 100 -15.542 -9.541 3.064 1.00 0.65 H new ATOM 0 HB2 ARG A 100 -16.932 -10.792 4.671 1.00 0.83 H new ATOM 0 HB3 ARG A 100 -17.126 -11.435 3.053 1.00 0.83 H new ATOM 0 HG2 ARG A 100 -15.111 -13.037 3.947 1.00 1.54 H new ATOM 0 HG3 ARG A 100 -15.914 -12.691 5.466 1.00 1.54 H new ATOM 0 HD2 ARG A 100 -18.045 -13.514 4.599 1.00 2.05 H new ATOM 0 HD3 ARG A 100 -17.373 -13.694 2.990 1.00 2.05 H new ATOM 0 HE ARG A 100 -16.813 -15.419 5.349 1.00 2.97 H new ATOM 0 HH11 ARG A 100 -16.349 -14.714 1.907 1.00 3.82 H new ATOM 0 HH12 ARG A 100 -15.629 -16.291 1.570 1.00 3.82 H new ATOM 0 HH21 ARG A 100 -15.858 -17.417 4.907 1.00 4.87 H new ATOM 0 HH22 ARG A 100 -15.353 -17.815 3.262 1.00 4.87 H new ATOM 1626 N ASP A 101 -13.241 -11.153 4.684 1.00 0.61 N ATOM 1627 CA ASP A 101 -12.263 -11.049 5.757 1.00 0.66 C ATOM 1628 C ASP A 101 -11.262 -9.928 5.503 1.00 0.59 C ATOM 1629 O ASP A 101 -11.006 -9.095 6.375 1.00 0.70 O ATOM 1630 CB ASP A 101 -11.504 -12.364 5.896 1.00 0.84 C ATOM 1631 CG ASP A 101 -10.664 -12.422 7.155 1.00 1.76 C ATOM 1632 OD1 ASP A 101 -9.563 -11.832 7.175 1.00 2.58 O ATOM 1633 OD2 ASP A 101 -11.103 -13.063 8.133 1.00 2.35 O ATOM 0 H ASP A 101 -13.082 -11.930 4.042 1.00 0.61 H new ATOM 0 HA ASP A 101 -12.808 -10.825 6.674 1.00 0.66 H new ATOM 0 HB2 ASP A 101 -12.215 -13.191 5.899 1.00 0.84 H new ATOM 0 HB3 ASP A 101 -10.860 -12.501 5.027 1.00 0.84 H new ATOM 1638 N LEU A 102 -10.714 -9.901 4.299 1.00 0.55 N ATOM 1639 CA LEU A 102 -9.707 -8.910 3.944 1.00 0.57 C ATOM 1640 C LEU A 102 -10.305 -7.535 3.668 1.00 0.54 C ATOM 1641 O LEU A 102 -9.690 -6.521 3.995 1.00 0.64 O ATOM 1642 CB LEU A 102 -8.898 -9.378 2.735 1.00 0.60 C ATOM 1643 CG LEU A 102 -8.136 -10.698 2.916 1.00 0.68 C ATOM 1644 CD1 LEU A 102 -7.139 -10.900 1.782 1.00 0.83 C ATOM 1645 CD2 LEU A 102 -7.422 -10.733 4.260 1.00 0.85 C ATOM 0 H LEU A 102 -10.948 -10.553 3.550 1.00 0.55 H new ATOM 0 HA LEU A 102 -9.050 -8.810 4.808 1.00 0.57 H new ATOM 0 HB2 LEU A 102 -9.574 -9.483 1.887 1.00 0.60 H new ATOM 0 HB3 LEU A 102 -8.181 -8.598 2.476 1.00 0.60 H new ATOM 0 HG LEU A 102 -8.861 -11.512 2.892 1.00 0.68 H new ATOM 0 HD11 LEU A 102 -6.608 -11.841 1.927 1.00 0.83 H new ATOM 0 HD12 LEU A 102 -7.670 -10.926 0.831 1.00 0.83 H new ATOM 0 HD13 LEU A 102 -6.424 -10.077 1.775 1.00 0.83 H new ATOM 0 HD21 LEU A 102 -6.889 -11.678 4.365 1.00 0.85 H new ATOM 0 HD22 LEU A 102 -6.712 -9.908 4.316 1.00 0.85 H new ATOM 0 HD23 LEU A 102 -8.153 -10.638 5.063 1.00 0.85 H new ATOM 1657 N LYS A 103 -11.497 -7.485 3.079 1.00 0.50 N ATOM 1658 CA LYS A 103 -12.124 -6.201 2.769 1.00 0.54 C ATOM 1659 C LYS A 103 -12.455 -5.429 4.049 1.00 0.52 C ATOM 1660 O LYS A 103 -12.526 -4.198 4.041 1.00 0.56 O ATOM 1661 CB LYS A 103 -13.367 -6.387 1.888 1.00 0.69 C ATOM 1662 CG LYS A 103 -14.582 -6.956 2.604 1.00 0.95 C ATOM 1663 CD LYS A 103 -15.669 -7.330 1.611 1.00 1.22 C ATOM 1664 CE LYS A 103 -16.973 -7.676 2.310 1.00 1.66 C ATOM 1665 NZ LYS A 103 -17.953 -6.564 2.236 1.00 2.36 N ATOM 0 H LYS A 103 -12.042 -8.304 2.810 1.00 0.50 H new ATOM 0 HA LYS A 103 -11.408 -5.607 2.201 1.00 0.54 H new ATOM 0 HB2 LYS A 103 -13.636 -5.423 1.457 1.00 0.69 H new ATOM 0 HB3 LYS A 103 -13.111 -7.046 1.059 1.00 0.69 H new ATOM 0 HG2 LYS A 103 -14.292 -7.835 3.180 1.00 0.95 H new ATOM 0 HG3 LYS A 103 -14.968 -6.223 3.313 1.00 0.95 H new ATOM 0 HD2 LYS A 103 -15.834 -6.501 0.922 1.00 1.22 H new ATOM 0 HD3 LYS A 103 -15.339 -8.180 1.014 1.00 1.22 H new ATOM 0 HE2 LYS A 103 -17.402 -8.569 1.856 1.00 1.66 H new ATOM 0 HE3 LYS A 103 -16.773 -7.914 3.355 1.00 1.66 H new ATOM 0 HZ1 LYS A 103 -18.829 -6.840 2.724 1.00 2.36 H new ATOM 0 HZ2 LYS A 103 -17.554 -5.719 2.692 1.00 2.36 H new ATOM 0 HZ3 LYS A 103 -18.164 -6.353 1.240 1.00 2.36 H new ATOM 1679 N LYS A 104 -12.636 -6.155 5.155 1.00 0.51 N ATOM 1680 CA LYS A 104 -12.915 -5.522 6.439 1.00 0.56 C ATOM 1681 C LYS A 104 -11.696 -4.725 6.880 1.00 0.55 C ATOM 1682 O LYS A 104 -11.811 -3.632 7.441 1.00 0.63 O ATOM 1683 CB LYS A 104 -13.259 -6.564 7.507 1.00 0.65 C ATOM 1684 CG LYS A 104 -14.695 -7.053 7.450 1.00 1.14 C ATOM 1685 CD LYS A 104 -15.067 -7.848 8.696 1.00 1.34 C ATOM 1686 CE LYS A 104 -14.218 -9.102 8.839 1.00 1.98 C ATOM 1687 NZ LYS A 104 -14.603 -9.897 10.035 1.00 2.57 N ATOM 0 H LYS A 104 -12.594 -7.174 5.184 1.00 0.51 H new ATOM 0 HA LYS A 104 -13.774 -4.861 6.319 1.00 0.56 H new ATOM 0 HB2 LYS A 104 -12.590 -7.418 7.396 1.00 0.65 H new ATOM 0 HB3 LYS A 104 -13.070 -6.137 8.492 1.00 0.65 H new ATOM 0 HG2 LYS A 104 -15.366 -6.200 7.348 1.00 1.14 H new ATOM 0 HG3 LYS A 104 -14.833 -7.675 6.566 1.00 1.14 H new ATOM 0 HD2 LYS A 104 -14.941 -7.221 9.579 1.00 1.34 H new ATOM 0 HD3 LYS A 104 -16.120 -8.125 8.650 1.00 1.34 H new ATOM 0 HE2 LYS A 104 -14.324 -9.716 7.945 1.00 1.98 H new ATOM 0 HE3 LYS A 104 -13.167 -8.823 8.911 1.00 1.98 H new ATOM 0 HZ1 LYS A 104 -14.002 -10.743 10.098 1.00 2.57 H new ATOM 0 HZ2 LYS A 104 -14.478 -9.319 10.891 1.00 2.57 H new ATOM 0 HZ3 LYS A 104 -15.599 -10.185 9.954 1.00 2.57 H new ATOM 1701 N LYS A 105 -10.527 -5.284 6.603 1.00 0.55 N ATOM 1702 CA LYS A 105 -9.265 -4.651 6.947 1.00 0.60 C ATOM 1703 C LYS A 105 -8.978 -3.511 5.977 1.00 0.52 C ATOM 1704 O LYS A 105 -8.405 -2.485 6.351 1.00 0.55 O ATOM 1705 CB LYS A 105 -8.137 -5.686 6.910 1.00 0.70 C ATOM 1706 CG LYS A 105 -8.350 -6.845 7.870 1.00 0.88 C ATOM 1707 CD LYS A 105 -7.464 -8.031 7.525 1.00 1.26 C ATOM 1708 CE LYS A 105 -7.519 -9.101 8.605 1.00 1.76 C ATOM 1709 NZ LYS A 105 -8.869 -9.721 8.714 1.00 2.44 N ATOM 0 H LYS A 105 -10.428 -6.185 6.136 1.00 0.55 H new ATOM 0 HA LYS A 105 -9.328 -4.242 7.956 1.00 0.60 H new ATOM 0 HB2 LYS A 105 -8.045 -6.076 5.896 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -7.194 -5.194 7.149 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -8.140 -6.518 8.888 1.00 0.88 H new ATOM 0 HG3 LYS A 105 -9.396 -7.152 7.844 1.00 0.88 H new ATOM 0 HD2 LYS A 105 -7.779 -8.457 6.573 1.00 1.26 H new ATOM 0 HD3 LYS A 105 -6.435 -7.693 7.398 1.00 1.26 H new ATOM 0 HE2 LYS A 105 -6.783 -9.874 8.386 1.00 1.76 H new ATOM 0 HE3 LYS A 105 -7.244 -8.662 9.564 1.00 1.76 H new ATOM 0 HZ1 LYS A 105 -8.899 -10.344 9.546 1.00 2.44 H new ATOM 0 HZ2 LYS A 105 -9.587 -8.975 8.814 1.00 2.44 H new ATOM 0 HZ3 LYS A 105 -9.065 -10.278 7.858 1.00 2.44 H new ATOM 1723 N LEU A 106 -9.394 -3.706 4.726 1.00 0.51 N ATOM 1724 CA LEU A 106 -9.218 -2.706 3.682 1.00 0.52 C ATOM 1725 C LEU A 106 -10.014 -1.449 4.024 1.00 0.45 C ATOM 1726 O LEU A 106 -9.526 -0.332 3.871 1.00 0.46 O ATOM 1727 CB LEU A 106 -9.666 -3.276 2.328 1.00 0.65 C ATOM 1728 CG LEU A 106 -9.399 -2.384 1.109 1.00 0.71 C ATOM 1729 CD1 LEU A 106 -8.938 -3.221 -0.074 1.00 1.27 C ATOM 1730 CD2 LEU A 106 -10.647 -1.599 0.733 1.00 1.04 C ATOM 0 H LEU A 106 -9.860 -4.558 4.412 1.00 0.51 H new ATOM 0 HA LEU A 106 -8.163 -2.441 3.615 1.00 0.52 H new ATOM 0 HB2 LEU A 106 -9.164 -4.231 2.173 1.00 0.65 H new ATOM 0 HB3 LEU A 106 -10.735 -3.482 2.377 1.00 0.65 H new ATOM 0 HG LEU A 106 -8.609 -1.680 1.372 1.00 0.71 H new ATOM 0 HD11 LEU A 106 -8.753 -2.571 -0.930 1.00 1.27 H new ATOM 0 HD12 LEU A 106 -8.019 -3.746 0.188 1.00 1.27 H new ATOM 0 HD13 LEU A 106 -9.710 -3.947 -0.329 1.00 1.27 H new ATOM 0 HD21 LEU A 106 -10.436 -0.973 -0.134 1.00 1.04 H new ATOM 0 HD22 LEU A 106 -11.454 -2.291 0.492 1.00 1.04 H new ATOM 0 HD23 LEU A 106 -10.947 -0.969 1.571 1.00 1.04 H new ATOM 1742 N SER A 107 -11.233 -1.644 4.515 1.00 0.45 N ATOM 1743 CA SER A 107 -12.092 -0.529 4.888 1.00 0.46 C ATOM 1744 C SER A 107 -11.461 0.281 6.020 1.00 0.47 C ATOM 1745 O SER A 107 -11.623 1.499 6.091 1.00 0.51 O ATOM 1746 CB SER A 107 -13.471 -1.038 5.312 1.00 0.54 C ATOM 1747 OG SER A 107 -14.052 -1.853 4.303 1.00 1.15 O ATOM 0 H SER A 107 -11.647 -2.564 4.664 1.00 0.45 H new ATOM 0 HA SER A 107 -12.208 0.119 4.019 1.00 0.46 H new ATOM 0 HB2 SER A 107 -13.382 -1.608 6.237 1.00 0.54 H new ATOM 0 HB3 SER A 107 -14.125 -0.192 5.521 1.00 0.54 H new ATOM 0 HG SER A 107 -13.564 -2.701 4.246 1.00 1.15 H new ATOM 1753 N ARG A 108 -10.724 -0.406 6.889 1.00 0.49 N ATOM 1754 CA ARG A 108 -10.070 0.240 8.023 1.00 0.55 C ATOM 1755 C ARG A 108 -8.963 1.185 7.560 1.00 0.54 C ATOM 1756 O ARG A 108 -8.975 2.373 7.890 1.00 0.62 O ATOM 1757 CB ARG A 108 -9.474 -0.805 8.975 1.00 0.67 C ATOM 1758 CG ARG A 108 -10.471 -1.420 9.943 1.00 1.10 C ATOM 1759 CD ARG A 108 -9.760 -2.274 10.983 1.00 1.49 C ATOM 1760 NE ARG A 108 -10.690 -2.884 11.931 1.00 2.15 N ATOM 1761 CZ ARG A 108 -10.347 -3.296 13.154 1.00 2.81 C ATOM 1762 NH1 ARG A 108 -9.116 -3.108 13.605 1.00 3.15 N ATOM 1763 NH2 ARG A 108 -11.247 -3.876 13.937 1.00 3.60 N ATOM 0 H ARG A 108 -10.565 -1.412 6.829 1.00 0.49 H new ATOM 0 HA ARG A 108 -10.831 0.817 8.548 1.00 0.55 H new ATOM 0 HB2 ARG A 108 -9.023 -1.602 8.383 1.00 0.67 H new ATOM 0 HB3 ARG A 108 -8.671 -0.340 9.547 1.00 0.67 H new ATOM 0 HG2 ARG A 108 -11.037 -0.631 10.439 1.00 1.10 H new ATOM 0 HG3 ARG A 108 -11.188 -2.030 9.394 1.00 1.10 H new ATOM 0 HD2 ARG A 108 -9.192 -3.057 10.480 1.00 1.49 H new ATOM 0 HD3 ARG A 108 -9.043 -1.659 11.526 1.00 1.49 H new ATOM 0 HE ARG A 108 -11.661 -3.002 11.641 1.00 2.15 H new ATOM 0 HH11 ARG A 108 -8.422 -2.646 13.017 1.00 3.15 H new ATOM 0 HH12 ARG A 108 -8.861 -3.425 14.540 1.00 3.15 H new ATOM 0 HH21 ARG A 108 -12.202 -4.008 13.605 1.00 3.60 H new ATOM 0 HH22 ARG A 108 -10.984 -4.190 14.871 1.00 3.60 H new ATOM 1777 N VAL A 109 -8.022 0.655 6.783 1.00 0.53 N ATOM 1778 CA VAL A 109 -6.892 1.443 6.298 1.00 0.60 C ATOM 1779 C VAL A 109 -7.343 2.601 5.401 1.00 0.57 C ATOM 1780 O VAL A 109 -6.848 3.722 5.535 1.00 0.61 O ATOM 1781 CB VAL A 109 -5.853 0.556 5.563 1.00 0.72 C ATOM 1782 CG1 VAL A 109 -6.482 -0.212 4.409 1.00 1.14 C ATOM 1783 CG2 VAL A 109 -4.677 1.390 5.077 1.00 1.25 C ATOM 0 H VAL A 109 -8.020 -0.318 6.475 1.00 0.53 H new ATOM 0 HA VAL A 109 -6.411 1.873 7.176 1.00 0.60 H new ATOM 0 HB VAL A 109 -5.484 -0.176 6.281 1.00 0.72 H new ATOM 0 HG11 VAL A 109 -5.722 -0.821 3.920 1.00 1.14 H new ATOM 0 HG12 VAL A 109 -7.274 -0.857 4.790 1.00 1.14 H new ATOM 0 HG13 VAL A 109 -6.901 0.491 3.690 1.00 1.14 H new ATOM 0 HG21 VAL A 109 -3.962 0.747 4.565 1.00 1.25 H new ATOM 0 HG22 VAL A 109 -5.034 2.156 4.388 1.00 1.25 H new ATOM 0 HG23 VAL A 109 -4.192 1.866 5.929 1.00 1.25 H new ATOM 1793 N VAL A 110 -8.299 2.339 4.511 1.00 0.54 N ATOM 1794 CA VAL A 110 -8.803 3.370 3.611 1.00 0.59 C ATOM 1795 C VAL A 110 -9.393 4.533 4.405 1.00 0.54 C ATOM 1796 O VAL A 110 -9.181 5.701 4.068 1.00 0.54 O ATOM 1797 CB VAL A 110 -9.861 2.803 2.634 1.00 0.70 C ATOM 1798 CG1 VAL A 110 -10.590 3.920 1.896 1.00 1.11 C ATOM 1799 CG2 VAL A 110 -9.207 1.854 1.641 1.00 1.06 C ATOM 0 H VAL A 110 -8.737 1.425 4.396 1.00 0.54 H new ATOM 0 HA VAL A 110 -7.960 3.732 3.022 1.00 0.59 H new ATOM 0 HB VAL A 110 -10.597 2.252 3.220 1.00 0.70 H new ATOM 0 HG11 VAL A 110 -11.326 3.488 1.218 1.00 1.11 H new ATOM 0 HG12 VAL A 110 -11.094 4.564 2.617 1.00 1.11 H new ATOM 0 HG13 VAL A 110 -9.872 4.508 1.325 1.00 1.11 H new ATOM 0 HG21 VAL A 110 -9.963 1.463 0.960 1.00 1.06 H new ATOM 0 HG22 VAL A 110 -8.448 2.390 1.071 1.00 1.06 H new ATOM 0 HG23 VAL A 110 -8.741 1.028 2.179 1.00 1.06 H new ATOM 1809 N ASN A 111 -10.109 4.201 5.474 1.00 0.55 N ATOM 1810 CA ASN A 111 -10.729 5.207 6.332 1.00 0.59 C ATOM 1811 C ASN A 111 -9.669 6.111 6.953 1.00 0.57 C ATOM 1812 O ASN A 111 -9.775 7.331 6.899 1.00 0.60 O ATOM 1813 CB ASN A 111 -11.552 4.535 7.437 1.00 0.68 C ATOM 1814 CG ASN A 111 -12.529 5.490 8.104 1.00 1.02 C ATOM 1815 OD1 ASN A 111 -12.170 6.235 9.015 1.00 1.61 O ATOM 1816 ND2 ASN A 111 -13.779 5.458 7.670 1.00 1.74 N ATOM 0 H ASN A 111 -10.275 3.239 5.769 1.00 0.55 H new ATOM 0 HA ASN A 111 -11.392 5.815 5.717 1.00 0.59 H new ATOM 0 HB2 ASN A 111 -12.103 3.695 7.014 1.00 0.68 H new ATOM 0 HB3 ASN A 111 -10.877 4.127 8.190 1.00 0.68 H new ATOM 0 HD21 ASN A 111 -14.482 6.064 8.093 1.00 1.74 H new ATOM 0 HD22 ASN A 111 -14.040 4.827 6.912 1.00 1.74 H new ATOM 1823 N ILE A 112 -8.632 5.501 7.515 1.00 0.57 N ATOM 1824 CA ILE A 112 -7.556 6.252 8.154 1.00 0.61 C ATOM 1825 C ILE A 112 -6.850 7.172 7.156 1.00 0.57 C ATOM 1826 O ILE A 112 -6.629 8.353 7.433 1.00 0.62 O ATOM 1827 CB ILE A 112 -6.513 5.314 8.796 1.00 0.70 C ATOM 1828 CG1 ILE A 112 -7.195 4.342 9.765 1.00 0.94 C ATOM 1829 CG2 ILE A 112 -5.438 6.121 9.514 1.00 0.92 C ATOM 1830 CD1 ILE A 112 -6.267 3.273 10.307 1.00 1.21 C ATOM 0 H ILE A 112 -8.513 4.488 7.542 1.00 0.57 H new ATOM 0 HA ILE A 112 -8.019 6.856 8.934 1.00 0.61 H new ATOM 0 HB ILE A 112 -6.035 4.735 8.006 1.00 0.70 H new ATOM 0 HG12 ILE A 112 -7.612 4.906 10.599 1.00 0.94 H new ATOM 0 HG13 ILE A 112 -8.031 3.862 9.256 1.00 0.94 H new ATOM 0 HG21 ILE A 112 -4.711 5.443 9.961 1.00 0.92 H new ATOM 0 HG22 ILE A 112 -4.935 6.773 8.800 1.00 0.92 H new ATOM 0 HG23 ILE A 112 -5.898 6.726 10.296 1.00 0.92 H new ATOM 0 HD11 ILE A 112 -6.819 2.622 10.985 1.00 1.21 H new ATOM 0 HD12 ILE A 112 -5.870 2.683 9.481 1.00 1.21 H new ATOM 0 HD13 ILE A 112 -5.444 3.744 10.845 1.00 1.21 H new ATOM 1842 N LEU A 113 -6.522 6.627 5.990 1.00 0.51 N ATOM 1843 CA LEU A 113 -5.822 7.378 4.950 1.00 0.52 C ATOM 1844 C LEU A 113 -6.604 8.615 4.501 1.00 0.48 C ATOM 1845 O LEU A 113 -6.025 9.691 4.322 1.00 0.53 O ATOM 1846 CB LEU A 113 -5.542 6.475 3.741 1.00 0.56 C ATOM 1847 CG LEU A 113 -4.599 5.297 4.006 1.00 0.74 C ATOM 1848 CD1 LEU A 113 -4.488 4.412 2.772 1.00 1.33 C ATOM 1849 CD2 LEU A 113 -3.227 5.801 4.426 1.00 1.27 C ATOM 0 H LEU A 113 -6.731 5.661 5.739 1.00 0.51 H new ATOM 0 HA LEU A 113 -4.881 7.721 5.380 1.00 0.52 H new ATOM 0 HB2 LEU A 113 -6.491 6.084 3.374 1.00 0.56 H new ATOM 0 HB3 LEU A 113 -5.119 7.085 2.943 1.00 0.56 H new ATOM 0 HG LEU A 113 -5.012 4.700 4.819 1.00 0.74 H new ATOM 0 HD11 LEU A 113 -3.814 3.581 2.980 1.00 1.33 H new ATOM 0 HD12 LEU A 113 -5.473 4.024 2.513 1.00 1.33 H new ATOM 0 HD13 LEU A 113 -4.097 4.996 1.939 1.00 1.33 H new ATOM 0 HD21 LEU A 113 -2.568 4.952 4.611 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -2.808 6.419 3.632 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -3.320 6.393 5.337 1.00 1.27 H new ATOM 1861 N LYS A 114 -7.915 8.471 4.329 1.00 0.47 N ATOM 1862 CA LYS A 114 -8.743 9.587 3.881 1.00 0.50 C ATOM 1863 C LYS A 114 -9.054 10.564 5.017 1.00 0.52 C ATOM 1864 O LYS A 114 -9.159 11.769 4.787 1.00 0.57 O ATOM 1865 CB LYS A 114 -10.048 9.084 3.239 1.00 0.58 C ATOM 1866 CG LYS A 114 -10.957 8.311 4.183 1.00 0.69 C ATOM 1867 CD LYS A 114 -12.336 8.948 4.286 1.00 0.89 C ATOM 1868 CE LYS A 114 -13.099 8.866 2.971 1.00 1.33 C ATOM 1869 NZ LYS A 114 -14.420 9.546 3.050 1.00 1.69 N ATOM 0 H LYS A 114 -8.423 7.602 4.491 1.00 0.47 H new ATOM 0 HA LYS A 114 -8.167 10.126 3.129 1.00 0.50 H new ATOM 0 HB2 LYS A 114 -10.597 9.939 2.844 1.00 0.58 H new ATOM 0 HB3 LYS A 114 -9.799 8.446 2.391 1.00 0.58 H new ATOM 0 HG2 LYS A 114 -11.056 7.284 3.832 1.00 0.69 H new ATOM 0 HG3 LYS A 114 -10.502 8.268 5.172 1.00 0.69 H new ATOM 0 HD2 LYS A 114 -12.908 8.451 5.069 1.00 0.89 H new ATOM 0 HD3 LYS A 114 -12.232 9.992 4.581 1.00 0.89 H new ATOM 0 HE2 LYS A 114 -12.505 9.320 2.178 1.00 1.33 H new ATOM 0 HE3 LYS A 114 -13.245 7.820 2.701 1.00 1.33 H new ATOM 0 HZ1 LYS A 114 -14.817 9.646 2.094 1.00 1.69 H new ATOM 0 HZ2 LYS A 114 -15.067 8.980 3.636 1.00 1.69 H new ATOM 0 HZ3 LYS A 114 -14.301 10.487 3.476 1.00 1.69 H new ATOM 1883 N GLU A 115 -9.189 10.054 6.237 1.00 0.54 N ATOM 1884 CA GLU A 115 -9.508 10.900 7.383 1.00 0.61 C ATOM 1885 C GLU A 115 -8.298 11.707 7.850 1.00 0.61 C ATOM 1886 O GLU A 115 -8.430 12.876 8.209 1.00 0.71 O ATOM 1887 CB GLU A 115 -10.059 10.057 8.534 1.00 0.68 C ATOM 1888 CG GLU A 115 -11.489 9.588 8.313 1.00 0.98 C ATOM 1889 CD GLU A 115 -12.452 10.729 8.051 1.00 1.47 C ATOM 1890 OE1 GLU A 115 -12.440 11.716 8.814 1.00 1.99 O ATOM 1891 OE2 GLU A 115 -13.241 10.641 7.084 1.00 2.20 O ATOM 0 H GLU A 115 -9.083 9.064 6.458 1.00 0.54 H new ATOM 0 HA GLU A 115 -10.272 11.608 7.062 1.00 0.61 H new ATOM 0 HB2 GLU A 115 -9.418 9.187 8.676 1.00 0.68 H new ATOM 0 HB3 GLU A 115 -10.014 10.640 9.454 1.00 0.68 H new ATOM 0 HG2 GLU A 115 -11.513 8.898 7.469 1.00 0.98 H new ATOM 0 HG3 GLU A 115 -11.823 9.032 9.189 1.00 0.98 H new ATOM 1898 N ARG A 116 -7.116 11.095 7.836 1.00 0.57 N ATOM 1899 CA ARG A 116 -5.901 11.790 8.268 1.00 0.62 C ATOM 1900 C ARG A 116 -5.370 12.697 7.157 1.00 0.58 C ATOM 1901 O ARG A 116 -4.370 13.396 7.331 1.00 0.63 O ATOM 1902 CB ARG A 116 -4.821 10.791 8.700 1.00 0.67 C ATOM 1903 CG ARG A 116 -3.709 11.420 9.530 1.00 0.80 C ATOM 1904 CD ARG A 116 -2.657 10.401 9.934 1.00 1.19 C ATOM 1905 NE ARG A 116 -3.118 9.524 11.011 1.00 1.74 N ATOM 1906 CZ ARG A 116 -2.520 8.383 11.348 1.00 2.40 C ATOM 1907 NH1 ARG A 116 -1.413 8.002 10.725 1.00 2.79 N ATOM 1908 NH2 ARG A 116 -3.021 7.632 12.320 1.00 3.23 N ATOM 0 H ARG A 116 -6.972 10.131 7.535 1.00 0.57 H new ATOM 0 HA ARG A 116 -6.159 12.409 9.127 1.00 0.62 H new ATOM 0 HB2 ARG A 116 -5.286 9.992 9.277 1.00 0.67 H new ATOM 0 HB3 ARG A 116 -4.386 10.332 7.812 1.00 0.67 H new ATOM 0 HG2 ARG A 116 -3.238 12.220 8.959 1.00 0.80 H new ATOM 0 HG3 ARG A 116 -4.136 11.875 10.424 1.00 0.80 H new ATOM 0 HD2 ARG A 116 -2.387 9.797 9.067 1.00 1.19 H new ATOM 0 HD3 ARG A 116 -1.754 10.921 10.254 1.00 1.19 H new ATOM 0 HE ARG A 116 -3.947 9.804 11.535 1.00 1.74 H new ATOM 0 HH11 ARG A 116 -1.018 8.583 9.986 1.00 2.79 H new ATOM 0 HH12 ARG A 116 -0.957 7.128 10.985 1.00 2.79 H new ATOM 0 HH21 ARG A 116 -3.865 7.928 12.810 1.00 3.23 H new ATOM 0 HH22 ARG A 116 -2.562 6.758 12.577 1.00 3.23 H new ATOM 1922 N ASN A 117 -6.063 12.681 6.022 1.00 0.52 N ATOM 1923 CA ASN A 117 -5.701 13.496 4.862 1.00 0.52 C ATOM 1924 C ASN A 117 -4.309 13.145 4.346 1.00 0.50 C ATOM 1925 O ASN A 117 -3.466 14.024 4.147 1.00 0.57 O ATOM 1926 CB ASN A 117 -5.776 14.992 5.202 1.00 0.63 C ATOM 1927 CG ASN A 117 -7.189 15.447 5.520 1.00 1.18 C ATOM 1928 OD1 ASN A 117 -7.954 15.800 4.625 1.00 2.00 O ATOM 1929 ND2 ASN A 117 -7.540 15.459 6.798 1.00 1.74 N ATOM 0 H ASN A 117 -6.891 12.104 5.879 1.00 0.52 H new ATOM 0 HA ASN A 117 -6.421 13.278 4.073 1.00 0.52 H new ATOM 0 HB2 ASN A 117 -5.130 15.200 6.055 1.00 0.63 H new ATOM 0 HB3 ASN A 117 -5.392 15.572 4.363 1.00 0.63 H new ATOM 0 HD21 ASN A 117 -8.474 15.769 7.068 1.00 1.74 H new ATOM 0 HD22 ASN A 117 -6.876 15.158 7.512 1.00 1.74 H new ATOM 1936 N ILE A 118 -4.071 11.857 4.129 1.00 0.46 N ATOM 1937 CA ILE A 118 -2.782 11.395 3.630 1.00 0.48 C ATOM 1938 C ILE A 118 -2.621 11.768 2.158 1.00 0.47 C ATOM 1939 O ILE A 118 -1.551 12.199 1.724 1.00 0.54 O ATOM 1940 CB ILE A 118 -2.628 9.864 3.803 1.00 0.50 C ATOM 1941 CG1 ILE A 118 -2.668 9.486 5.290 1.00 0.54 C ATOM 1942 CG2 ILE A 118 -1.338 9.367 3.162 1.00 0.55 C ATOM 1943 CD1 ILE A 118 -1.565 10.116 6.112 1.00 0.61 C ATOM 0 H ILE A 118 -4.752 11.115 4.290 1.00 0.46 H new ATOM 0 HA ILE A 118 -2.003 11.885 4.214 1.00 0.48 H new ATOM 0 HB ILE A 118 -3.464 9.381 3.297 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -3.631 9.783 5.705 1.00 0.54 H new ATOM 0 HG13 ILE A 118 -2.602 8.402 5.381 1.00 0.54 H new ATOM 0 HG21 ILE A 118 -1.256 8.289 3.299 1.00 0.55 H new ATOM 0 HG22 ILE A 118 -1.348 9.598 2.097 1.00 0.55 H new ATOM 0 HG23 ILE A 118 -0.486 9.858 3.631 1.00 0.55 H new ATOM 0 HD11 ILE A 118 -1.661 9.801 7.151 1.00 0.61 H new ATOM 0 HD12 ILE A 118 -0.597 9.800 5.725 1.00 0.61 H new ATOM 0 HD13 ILE A 118 -1.642 11.202 6.053 1.00 0.61 H new ATOM 1955 N PHE A 119 -3.699 11.622 1.402 1.00 0.45 N ATOM 1956 CA PHE A 119 -3.686 11.946 -0.014 1.00 0.47 C ATOM 1957 C PHE A 119 -4.514 13.200 -0.265 1.00 0.49 C ATOM 1958 O PHE A 119 -5.166 13.714 0.645 1.00 0.51 O ATOM 1959 CB PHE A 119 -4.232 10.778 -0.840 1.00 0.48 C ATOM 1960 CG PHE A 119 -3.541 9.470 -0.583 1.00 0.43 C ATOM 1961 CD1 PHE A 119 -2.177 9.337 -0.787 1.00 1.12 C ATOM 1962 CD2 PHE A 119 -4.258 8.373 -0.138 1.00 1.26 C ATOM 1963 CE1 PHE A 119 -1.543 8.132 -0.552 1.00 1.13 C ATOM 1964 CE2 PHE A 119 -3.630 7.167 0.098 1.00 1.26 C ATOM 1965 CZ PHE A 119 -2.271 7.046 -0.109 1.00 0.44 C ATOM 0 H PHE A 119 -4.596 11.280 1.748 1.00 0.45 H new ATOM 0 HA PHE A 119 -2.656 12.130 -0.320 1.00 0.47 H new ATOM 0 HB2 PHE A 119 -5.295 10.663 -0.628 1.00 0.48 H new ATOM 0 HB3 PHE A 119 -4.142 11.022 -1.898 1.00 0.48 H new ATOM 0 HD1 PHE A 119 -1.603 10.184 -1.133 1.00 1.12 H new ATOM 0 HD2 PHE A 119 -5.322 8.462 0.027 1.00 1.26 H new ATOM 0 HE1 PHE A 119 -0.479 8.040 -0.715 1.00 1.13 H new ATOM 0 HE2 PHE A 119 -4.202 6.319 0.444 1.00 1.26 H new ATOM 0 HZ PHE A 119 -1.778 6.103 0.075 1.00 0.44 H new ATOM 1975 N SER A 120 -4.485 13.682 -1.498 1.00 0.51 N ATOM 1976 CA SER A 120 -5.229 14.870 -1.880 1.00 0.55 C ATOM 1977 C SER A 120 -6.722 14.574 -1.957 1.00 0.50 C ATOM 1978 O SER A 120 -7.127 13.412 -2.036 1.00 0.48 O ATOM 1979 CB SER A 120 -4.714 15.370 -3.229 1.00 0.63 C ATOM 1980 OG SER A 120 -3.936 14.371 -3.874 1.00 1.30 O ATOM 0 H SER A 120 -3.948 13.263 -2.257 1.00 0.51 H new ATOM 0 HA SER A 120 -5.082 15.642 -1.124 1.00 0.55 H new ATOM 0 HB2 SER A 120 -5.555 15.648 -3.864 1.00 0.63 H new ATOM 0 HB3 SER A 120 -4.113 16.268 -3.084 1.00 0.63 H new ATOM 0 HG SER A 120 -3.028 14.375 -3.506 1.00 1.30 H new ATOM 1986 N LYS A 121 -7.531 15.630 -1.943 1.00 0.56 N ATOM 1987 CA LYS A 121 -8.986 15.502 -2.012 1.00 0.56 C ATOM 1988 C LYS A 121 -9.411 14.650 -3.203 1.00 0.53 C ATOM 1989 O LYS A 121 -10.185 13.705 -3.059 1.00 0.52 O ATOM 1990 CB LYS A 121 -9.635 16.884 -2.113 1.00 0.70 C ATOM 1991 CG LYS A 121 -10.017 17.486 -0.774 1.00 1.23 C ATOM 1992 CD LYS A 121 -11.319 16.904 -0.249 1.00 1.78 C ATOM 1993 CE LYS A 121 -12.522 17.479 -0.980 1.00 2.37 C ATOM 1994 NZ LYS A 121 -13.802 16.959 -0.436 1.00 2.85 N ATOM 0 H LYS A 121 -7.200 16.593 -1.884 1.00 0.56 H new ATOM 0 HA LYS A 121 -9.320 15.009 -1.099 1.00 0.56 H new ATOM 0 HB2 LYS A 121 -8.948 17.560 -2.621 1.00 0.70 H new ATOM 0 HB3 LYS A 121 -10.527 16.810 -2.734 1.00 0.70 H new ATOM 0 HG2 LYS A 121 -9.220 17.305 -0.053 1.00 1.23 H new ATOM 0 HG3 LYS A 121 -10.116 18.567 -0.875 1.00 1.23 H new ATOM 0 HD2 LYS A 121 -11.306 15.820 -0.364 1.00 1.78 H new ATOM 0 HD3 LYS A 121 -11.407 17.111 0.818 1.00 1.78 H new ATOM 0 HE2 LYS A 121 -12.509 18.566 -0.901 1.00 2.37 H new ATOM 0 HE3 LYS A 121 -12.453 17.236 -2.040 1.00 2.37 H new ATOM 0 HZ1 LYS A 121 -14.597 17.375 -0.961 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -13.826 15.924 -0.534 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -13.881 17.213 0.569 1.00 2.85 H new ATOM 2008 N GLN A 122 -8.882 14.985 -4.371 1.00 0.60 N ATOM 2009 CA GLN A 122 -9.196 14.264 -5.602 1.00 0.67 C ATOM 2010 C GLN A 122 -8.892 12.768 -5.486 1.00 0.60 C ATOM 2011 O GLN A 122 -9.610 11.941 -6.044 1.00 0.73 O ATOM 2012 CB GLN A 122 -8.409 14.858 -6.773 1.00 0.80 C ATOM 2013 CG GLN A 122 -6.931 15.063 -6.472 1.00 1.48 C ATOM 2014 CD GLN A 122 -6.056 15.034 -7.711 1.00 2.20 C ATOM 2015 OE1 GLN A 122 -4.897 14.626 -7.653 1.00 2.95 O ATOM 2016 NE2 GLN A 122 -6.595 15.475 -8.834 1.00 2.69 N ATOM 0 H GLN A 122 -8.228 15.758 -4.495 1.00 0.60 H new ATOM 0 HA GLN A 122 -10.266 14.374 -5.779 1.00 0.67 H new ATOM 0 HB2 GLN A 122 -8.508 14.201 -7.637 1.00 0.80 H new ATOM 0 HB3 GLN A 122 -8.851 15.815 -7.049 1.00 0.80 H new ATOM 0 HG2 GLN A 122 -6.800 16.019 -5.965 1.00 1.48 H new ATOM 0 HG3 GLN A 122 -6.597 14.288 -5.782 1.00 1.48 H new ATOM 0 HE21 GLN A 122 -7.560 15.805 -8.841 1.00 2.69 H new ATOM 0 HE22 GLN A 122 -6.046 15.485 -9.694 1.00 2.69 H new ATOM 2025 N VAL A 123 -7.844 12.428 -4.744 1.00 0.51 N ATOM 2026 CA VAL A 123 -7.441 11.036 -4.583 1.00 0.53 C ATOM 2027 C VAL A 123 -8.296 10.315 -3.544 1.00 0.48 C ATOM 2028 O VAL A 123 -8.814 9.233 -3.813 1.00 0.48 O ATOM 2029 CB VAL A 123 -5.952 10.913 -4.192 1.00 0.67 C ATOM 2030 CG1 VAL A 123 -5.546 9.450 -4.067 1.00 0.95 C ATOM 2031 CG2 VAL A 123 -5.072 11.623 -5.209 1.00 1.28 C ATOM 0 H VAL A 123 -7.258 13.097 -4.245 1.00 0.51 H new ATOM 0 HA VAL A 123 -7.591 10.562 -5.553 1.00 0.53 H new ATOM 0 HB VAL A 123 -5.815 11.391 -3.222 1.00 0.67 H new ATOM 0 HG11 VAL A 123 -4.493 9.387 -3.791 1.00 0.95 H new ATOM 0 HG12 VAL A 123 -6.152 8.969 -3.299 1.00 0.95 H new ATOM 0 HG13 VAL A 123 -5.702 8.946 -5.021 1.00 0.95 H new ATOM 0 HG21 VAL A 123 -4.027 11.525 -4.917 1.00 1.28 H new ATOM 0 HG22 VAL A 123 -5.217 11.175 -6.192 1.00 1.28 H new ATOM 0 HG23 VAL A 123 -5.341 12.679 -5.249 1.00 1.28 H new ATOM 2041 N VAL A 124 -8.456 10.916 -2.367 1.00 0.48 N ATOM 2042 CA VAL A 124 -9.245 10.292 -1.304 1.00 0.49 C ATOM 2043 C VAL A 124 -10.702 10.119 -1.728 1.00 0.47 C ATOM 2044 O VAL A 124 -11.375 9.180 -1.296 1.00 0.50 O ATOM 2045 CB VAL A 124 -9.175 11.082 0.027 1.00 0.56 C ATOM 2046 CG1 VAL A 124 -7.746 11.142 0.540 1.00 1.23 C ATOM 2047 CG2 VAL A 124 -9.745 12.481 -0.127 1.00 1.11 C ATOM 0 H VAL A 124 -8.056 11.823 -2.126 1.00 0.48 H new ATOM 0 HA VAL A 124 -8.804 9.310 -1.131 1.00 0.49 H new ATOM 0 HB VAL A 124 -9.786 10.552 0.758 1.00 0.56 H new ATOM 0 HG11 VAL A 124 -7.718 11.701 1.475 1.00 1.23 H new ATOM 0 HG12 VAL A 124 -7.378 10.130 0.711 1.00 1.23 H new ATOM 0 HG13 VAL A 124 -7.115 11.638 -0.198 1.00 1.23 H new ATOM 0 HG21 VAL A 124 -9.680 13.007 0.825 1.00 1.11 H new ATOM 0 HG22 VAL A 124 -9.176 13.025 -0.881 1.00 1.11 H new ATOM 0 HG23 VAL A 124 -10.788 12.417 -0.436 1.00 1.11 H new ATOM 2057 N ASN A 125 -11.176 11.013 -2.589 1.00 0.47 N ATOM 2058 CA ASN A 125 -12.549 10.953 -3.074 1.00 0.50 C ATOM 2059 C ASN A 125 -12.692 9.900 -4.167 1.00 0.49 C ATOM 2060 O ASN A 125 -13.769 9.332 -4.363 1.00 0.55 O ATOM 2061 CB ASN A 125 -12.994 12.321 -3.602 1.00 0.58 C ATOM 2062 CG ASN A 125 -13.394 13.281 -2.496 1.00 1.10 C ATOM 2063 OD1 ASN A 125 -13.074 14.471 -2.540 1.00 1.74 O ATOM 2064 ND2 ASN A 125 -14.116 12.779 -1.503 1.00 1.74 N ATOM 0 H ASN A 125 -10.629 11.788 -2.965 1.00 0.47 H new ATOM 0 HA ASN A 125 -13.189 10.674 -2.237 1.00 0.50 H new ATOM 0 HB2 ASN A 125 -12.184 12.762 -4.183 1.00 0.58 H new ATOM 0 HB3 ASN A 125 -13.836 12.186 -4.281 1.00 0.58 H new ATOM 0 HD21 ASN A 125 -14.426 13.383 -0.742 1.00 1.74 H new ATOM 0 HD22 ASN A 125 -14.362 11.789 -1.501 1.00 1.74 H new ATOM 2071 N ASP A 126 -11.598 9.639 -4.875 1.00 0.47 N ATOM 2072 CA ASP A 126 -11.591 8.647 -5.946 1.00 0.48 C ATOM 2073 C ASP A 126 -11.551 7.242 -5.354 1.00 0.45 C ATOM 2074 O ASP A 126 -12.248 6.336 -5.811 1.00 0.48 O ATOM 2075 CB ASP A 126 -10.389 8.864 -6.875 1.00 0.52 C ATOM 2076 CG ASP A 126 -10.501 8.076 -8.168 1.00 0.76 C ATOM 2077 OD1 ASP A 126 -11.600 7.569 -8.468 1.00 1.43 O ATOM 2078 OD2 ASP A 126 -9.497 7.976 -8.899 1.00 1.44 O ATOM 0 H ASP A 126 -10.701 10.102 -4.726 1.00 0.47 H new ATOM 0 HA ASP A 126 -12.503 8.761 -6.531 1.00 0.48 H new ATOM 0 HB2 ASP A 126 -10.301 9.925 -7.107 1.00 0.52 H new ATOM 0 HB3 ASP A 126 -9.476 8.574 -6.355 1.00 0.52 H new ATOM 2083 N ILE A 127 -10.745 7.076 -4.314 1.00 0.42 N ATOM 2084 CA ILE A 127 -10.602 5.789 -3.646 1.00 0.42 C ATOM 2085 C ILE A 127 -11.937 5.302 -3.080 1.00 0.43 C ATOM 2086 O ILE A 127 -12.364 4.178 -3.350 1.00 0.45 O ATOM 2087 CB ILE A 127 -9.562 5.867 -2.505 1.00 0.42 C ATOM 2088 CG1 ILE A 127 -8.172 6.175 -3.069 1.00 0.44 C ATOM 2089 CG2 ILE A 127 -9.540 4.567 -1.709 1.00 0.47 C ATOM 2090 CD1 ILE A 127 -7.147 6.525 -2.011 1.00 0.46 C ATOM 0 H ILE A 127 -10.177 7.822 -3.912 1.00 0.42 H new ATOM 0 HA ILE A 127 -10.257 5.078 -4.397 1.00 0.42 H new ATOM 0 HB ILE A 127 -9.849 6.675 -1.832 1.00 0.42 H new ATOM 0 HG12 ILE A 127 -7.819 5.311 -3.632 1.00 0.44 H new ATOM 0 HG13 ILE A 127 -8.251 7.003 -3.773 1.00 0.44 H new ATOM 0 HG21 ILE A 127 -8.802 4.642 -0.911 1.00 0.47 H new ATOM 0 HG22 ILE A 127 -10.525 4.388 -1.277 1.00 0.47 H new ATOM 0 HG23 ILE A 127 -9.278 3.740 -2.369 1.00 0.47 H new ATOM 0 HD11 ILE A 127 -6.188 6.730 -2.487 1.00 0.46 H new ATOM 0 HD12 ILE A 127 -7.476 7.408 -1.463 1.00 0.46 H new ATOM 0 HD13 ILE A 127 -7.037 5.689 -1.320 1.00 0.46 H new ATOM 2102 N GLU A 128 -12.608 6.161 -2.327 1.00 0.46 N ATOM 2103 CA GLU A 128 -13.877 5.799 -1.710 1.00 0.51 C ATOM 2104 C GLU A 128 -14.971 5.548 -2.748 1.00 0.52 C ATOM 2105 O GLU A 128 -15.783 4.635 -2.589 1.00 0.55 O ATOM 2106 CB GLU A 128 -14.319 6.876 -0.716 1.00 0.62 C ATOM 2107 CG GLU A 128 -14.467 8.258 -1.330 1.00 1.04 C ATOM 2108 CD GLU A 128 -15.156 9.240 -0.406 1.00 1.37 C ATOM 2109 OE1 GLU A 128 -15.546 8.848 0.715 1.00 1.75 O ATOM 2110 OE2 GLU A 128 -15.314 10.415 -0.796 1.00 2.05 O ATOM 0 H GLU A 128 -12.296 7.112 -2.128 1.00 0.46 H new ATOM 0 HA GLU A 128 -13.719 4.864 -1.172 1.00 0.51 H new ATOM 0 HB2 GLU A 128 -15.271 6.581 -0.276 1.00 0.62 H new ATOM 0 HB3 GLU A 128 -13.594 6.926 0.096 1.00 0.62 H new ATOM 0 HG2 GLU A 128 -13.481 8.642 -1.591 1.00 1.04 H new ATOM 0 HG3 GLU A 128 -15.034 8.180 -2.258 1.00 1.04 H new ATOM 2117 N ARG A 129 -14.980 6.334 -3.826 1.00 0.55 N ATOM 2118 CA ARG A 129 -15.996 6.170 -4.861 1.00 0.64 C ATOM 2119 C ARG A 129 -15.783 4.866 -5.628 1.00 0.59 C ATOM 2120 O ARG A 129 -16.729 4.292 -6.159 1.00 0.62 O ATOM 2121 CB ARG A 129 -16.039 7.378 -5.810 1.00 0.77 C ATOM 2122 CG ARG A 129 -14.945 7.410 -6.864 1.00 1.07 C ATOM 2123 CD ARG A 129 -15.037 8.673 -7.708 1.00 1.55 C ATOM 2124 NE ARG A 129 -13.892 8.833 -8.601 1.00 2.26 N ATOM 2125 CZ ARG A 129 -13.730 9.866 -9.429 1.00 3.05 C ATOM 2126 NH1 ARG A 129 -14.621 10.851 -9.454 1.00 3.37 N ATOM 2127 NH2 ARG A 129 -12.669 9.916 -10.220 1.00 3.98 N ATOM 0 H ARG A 129 -14.306 7.079 -4.002 1.00 0.55 H new ATOM 0 HA ARG A 129 -16.966 6.116 -4.368 1.00 0.64 H new ATOM 0 HB2 ARG A 129 -17.006 7.391 -6.312 1.00 0.77 H new ATOM 0 HB3 ARG A 129 -15.976 8.290 -5.216 1.00 0.77 H new ATOM 0 HG2 ARG A 129 -13.969 7.361 -6.382 1.00 1.07 H new ATOM 0 HG3 ARG A 129 -15.028 6.533 -7.506 1.00 1.07 H new ATOM 0 HD2 ARG A 129 -15.953 8.646 -8.298 1.00 1.55 H new ATOM 0 HD3 ARG A 129 -15.106 9.541 -7.052 1.00 1.55 H new ATOM 0 HE ARG A 129 -13.172 8.110 -8.591 1.00 2.26 H new ATOM 0 HH11 ARG A 129 -15.433 10.819 -8.838 1.00 3.37 H new ATOM 0 HH12 ARG A 129 -14.493 11.639 -10.089 1.00 3.37 H new ATOM 0 HH21 ARG A 129 -11.978 9.166 -10.195 1.00 3.98 H new ATOM 0 HH22 ARG A 129 -12.542 10.705 -10.854 1.00 3.98 H new ATOM 2141 N SER A 130 -14.544 4.387 -5.663 1.00 0.56 N ATOM 2142 CA SER A 130 -14.240 3.135 -6.340 1.00 0.57 C ATOM 2143 C SER A 130 -14.869 1.973 -5.578 1.00 0.54 C ATOM 2144 O SER A 130 -15.411 1.038 -6.170 1.00 0.60 O ATOM 2145 CB SER A 130 -12.727 2.944 -6.449 1.00 0.58 C ATOM 2146 OG SER A 130 -12.132 4.010 -7.168 1.00 0.70 O ATOM 0 H SER A 130 -13.740 4.844 -5.233 1.00 0.56 H new ATOM 0 HA SER A 130 -14.655 3.165 -7.347 1.00 0.57 H new ATOM 0 HB2 SER A 130 -12.291 2.885 -5.452 1.00 0.58 H new ATOM 0 HB3 SER A 130 -12.511 1.999 -6.947 1.00 0.58 H new ATOM 0 HG SER A 130 -12.321 4.857 -6.713 1.00 0.70 H new ATOM 2152 N LEU A 131 -14.820 2.058 -4.254 1.00 0.49 N ATOM 2153 CA LEU A 131 -15.389 1.028 -3.399 1.00 0.50 C ATOM 2154 C LEU A 131 -16.906 1.014 -3.534 1.00 0.52 C ATOM 2155 O LEU A 131 -17.526 -0.048 -3.618 1.00 0.56 O ATOM 2156 CB LEU A 131 -14.996 1.266 -1.939 1.00 0.52 C ATOM 2157 CG LEU A 131 -13.751 0.515 -1.461 1.00 0.83 C ATOM 2158 CD1 LEU A 131 -12.506 1.020 -2.173 1.00 1.28 C ATOM 2159 CD2 LEU A 131 -13.596 0.660 0.044 1.00 1.33 C ATOM 0 H LEU A 131 -14.390 2.833 -3.749 1.00 0.49 H new ATOM 0 HA LEU A 131 -14.995 0.061 -3.713 1.00 0.50 H new ATOM 0 HB2 LEU A 131 -14.833 2.334 -1.794 1.00 0.52 H new ATOM 0 HB3 LEU A 131 -15.836 0.983 -1.304 1.00 0.52 H new ATOM 0 HG LEU A 131 -13.874 -0.541 -1.702 1.00 0.83 H new ATOM 0 HD11 LEU A 131 -11.635 0.471 -1.816 1.00 1.28 H new ATOM 0 HD12 LEU A 131 -12.615 0.870 -3.247 1.00 1.28 H new ATOM 0 HD13 LEU A 131 -12.375 2.082 -1.967 1.00 1.28 H new ATOM 0 HD21 LEU A 131 -12.707 0.121 0.372 1.00 1.33 H new ATOM 0 HD22 LEU A 131 -13.496 1.715 0.300 1.00 1.33 H new ATOM 0 HD23 LEU A 131 -14.474 0.248 0.542 1.00 1.33 H new ATOM 2171 N ALA A 132 -17.494 2.205 -3.574 1.00 0.56 N ATOM 2172 CA ALA A 132 -18.937 2.344 -3.702 1.00 0.62 C ATOM 2173 C ALA A 132 -19.412 1.881 -5.075 1.00 0.64 C ATOM 2174 O ALA A 132 -20.493 1.310 -5.207 1.00 0.69 O ATOM 2175 CB ALA A 132 -19.354 3.788 -3.452 1.00 0.68 C ATOM 0 H ALA A 132 -16.990 3.090 -3.519 1.00 0.56 H new ATOM 0 HA ALA A 132 -19.407 1.709 -2.951 1.00 0.62 H new ATOM 0 HB1 ALA A 132 -20.436 3.877 -3.551 1.00 0.68 H new ATOM 0 HB2 ALA A 132 -19.056 4.084 -2.446 1.00 0.68 H new ATOM 0 HB3 ALA A 132 -18.868 4.438 -4.180 1.00 0.68 H new ATOM 2181 N ALA A 133 -18.593 2.119 -6.097 1.00 0.66 N ATOM 2182 CA ALA A 133 -18.931 1.721 -7.457 1.00 0.73 C ATOM 2183 C ALA A 133 -18.813 0.211 -7.632 1.00 0.73 C ATOM 2184 O ALA A 133 -19.456 -0.374 -8.499 1.00 0.84 O ATOM 2185 CB ALA A 133 -18.039 2.440 -8.459 1.00 0.84 C ATOM 0 H ALA A 133 -17.691 2.586 -6.007 1.00 0.66 H new ATOM 0 HA ALA A 133 -19.967 2.004 -7.643 1.00 0.73 H new ATOM 0 HB1 ALA A 133 -18.305 2.131 -9.470 1.00 0.84 H new ATOM 0 HB2 ALA A 133 -18.176 3.517 -8.361 1.00 0.84 H new ATOM 0 HB3 ALA A 133 -16.997 2.188 -8.265 1.00 0.84 H new ATOM 2191 N ALA A 134 -17.986 -0.418 -6.807 1.00 0.68 N ATOM 2192 CA ALA A 134 -17.795 -1.860 -6.876 1.00 0.74 C ATOM 2193 C ALA A 134 -18.954 -2.597 -6.213 1.00 0.84 C ATOM 2194 O ALA A 134 -19.210 -3.765 -6.513 1.00 1.12 O ATOM 2195 CB ALA A 134 -16.476 -2.249 -6.226 1.00 0.72 C ATOM 0 H ALA A 134 -17.438 0.047 -6.084 1.00 0.68 H new ATOM 0 HA ALA A 134 -17.767 -2.150 -7.926 1.00 0.74 H new ATOM 0 HB1 ALA A 134 -16.346 -3.330 -6.285 1.00 0.72 H new ATOM 0 HB2 ALA A 134 -15.655 -1.756 -6.746 1.00 0.72 H new ATOM 0 HB3 ALA A 134 -16.481 -1.940 -5.181 1.00 0.72 H new