USER MOD reduce.3.24.130724 H: found=0, std=0, add=1370, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1371 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 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 188 HIS : no HE2:sc= -0.323 X(o=-0.32,f=-0.12) USER MOD Set 2.1: A 106 LYS NZ :NH3+ -143:sc= 1.64 (180deg=-0.333) USER MOD Set 2.2: A 114 THR OG1 : rot 70:sc= 1.03 USER MOD Set 3.1: A 29 CYS SG : rot 180:sc= 2.22 USER MOD Set 3.2: A 81 TYR OH : rot 179:sc= 1.34 USER MOD Set 4.1: A 5 SER OG : rot 78:sc= 1.23 USER MOD Set 4.2: A 75 ASN : amide:sc= -0.865 K(o=0.36,f=-4) USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0186) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 12 ASN : amide:sc= -0.0813 X(o=-0.081,f=-0.17) USER MOD Single : A 15 LYS NZ :NH3+ 128:sc= 1.24 (180deg=0.311) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -157:sc= -1.8! (180deg=-2.65) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00614 USER MOD Single : A 23 THR OG1 : rot -140:sc= -0.473 USER MOD Single : A 24 MET CE :methyl -125:sc=-0.00215 (180deg=-1.42) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 171:sc= -4.6 (180deg=-4.99) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= -0.0565 (180deg=-0.318) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.09) USER MOD Single : A 66 LYS NZ :NH3+ -151:sc= 1.32 (180deg=-1.28!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 163:sc= -0.139 (180deg=-0.6) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 142:sc= -2.85 (180deg=-6.82!) USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= 1.38 (180deg=1.31) USER MOD Single : A 84 LYS NZ :NH3+ 152:sc= 0.132 (180deg=-0.217) USER MOD Single : A 85 GLN : amide:sc= 0.19 K(o=0.19,f=-5.4!) USER MOD Single : A 89 LYS NZ :NH3+ 136:sc= -0.183 (180deg=-0.872) USER MOD Single : A 92 MET CE :methyl 162:sc= -2.42! (180deg=-3.07) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -116:sc= -1.84! (180deg=-4.43!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 101 MET CE :methyl -113:sc= -3.62! (180deg=-5.63!) USER MOD Single : A 105 SER OG : rot 130:sc= 0.0562 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 87:sc= -2.73! USER MOD Single : A 111 MET CE :methyl -151:sc= -5.67! (180deg=-7.74!) USER MOD Single : A 113 MET CE :methyl 160:sc= -0.176 (180deg=-0.684) USER MOD Single : A 116 CYS SG : rot -143:sc= -1.45 USER MOD Single : A 122 THR OG1 : rot -41:sc= 0.613 USER MOD Single : A 123 ASN : amide:sc= -2.09! C(o=-2.1!,f=-15!) USER MOD Single : A 124 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-0.64) USER MOD Single : A 127 TYR OH : rot 150:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc=0.000852 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -136:sc= 1.46 (180deg=0.685) USER MOD Single : A 172 ASN :FLIP amide:sc= -1.87! C(o=-2.8!,f=-1.9!) USER MOD Single : A 176 HIS : no HD1:sc= -7.75! C(o=-7.7!,f=-11!) USER MOD Single : A 179 THR OG1 : rot 180:sc= 0.0645 USER MOD Single : A 183 GLN : amide:sc= -1.82! C(o=-1.8!,f=-4.3!) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 -28.927 1.979 6.925 1.00 1.00 N ATOM 107 CA VAL A 2 -27.700 1.652 7.624 1.00 0.98 C ATOM 108 C VAL A 2 -26.856 0.748 6.744 1.00 0.79 C ATOM 109 O VAL A 2 -26.427 -0.329 7.136 1.00 0.92 O ATOM 110 CB VAL A 2 -27.937 0.993 9.006 1.00 1.21 C ATOM 111 CG1 VAL A 2 -28.409 2.026 10.015 1.00 1.56 C ATOM 112 CG2 VAL A 2 -28.939 -0.146 8.916 1.00 1.32 C ATOM 0 HA VAL A 2 -27.178 2.588 7.824 1.00 0.98 H new ATOM 0 HB VAL A 2 -26.986 0.579 9.340 1.00 1.21 H new ATOM 0 HG11 VAL A 2 -28.570 1.545 10.980 1.00 1.56 H new ATOM 0 HG12 VAL A 2 -27.653 2.804 10.119 1.00 1.56 H new ATOM 0 HG13 VAL A 2 -29.343 2.471 9.671 1.00 1.56 H new ATOM 0 HG21 VAL A 2 -29.081 -0.585 9.904 1.00 1.32 H new ATOM 0 HG22 VAL A 2 -29.892 0.236 8.548 1.00 1.32 H new ATOM 0 HG23 VAL A 2 -28.564 -0.907 8.231 1.00 1.32 H new ATOM 122 N ALA A 3 -26.664 1.209 5.526 1.00 0.66 N ATOM 123 CA ALA A 3 -25.800 0.556 4.563 1.00 0.55 C ATOM 124 C ALA A 3 -25.095 1.616 3.759 1.00 0.60 C ATOM 125 O ALA A 3 -25.602 2.082 2.740 1.00 1.10 O ATOM 126 CB ALA A 3 -26.574 -0.369 3.647 1.00 0.63 C ATOM 0 H ALA A 3 -27.108 2.057 5.172 1.00 0.66 H new ATOM 0 HA ALA A 3 -25.077 -0.059 5.099 1.00 0.55 H new ATOM 0 HB1 ALA A 3 -25.889 -0.838 2.941 1.00 0.63 H new ATOM 0 HB2 ALA A 3 -27.068 -1.139 4.240 1.00 0.63 H new ATOM 0 HB3 ALA A 3 -27.323 0.204 3.100 1.00 0.63 H new ATOM 132 N LEU A 4 -23.980 2.056 4.298 1.00 0.45 N ATOM 133 CA LEU A 4 -23.171 3.119 3.720 1.00 0.41 C ATOM 134 C LEU A 4 -23.018 3.011 2.209 1.00 0.39 C ATOM 135 O LEU A 4 -22.751 1.942 1.666 1.00 0.38 O ATOM 136 CB LEU A 4 -21.790 3.113 4.367 1.00 0.41 C ATOM 137 CG LEU A 4 -21.779 2.976 5.890 1.00 0.56 C ATOM 138 CD1 LEU A 4 -20.366 3.101 6.416 1.00 1.16 C ATOM 139 CD2 LEU A 4 -22.683 4.010 6.542 1.00 1.46 C ATOM 0 H LEU A 4 -23.598 1.681 5.167 1.00 0.45 H new ATOM 0 HA LEU A 4 -23.694 4.054 3.919 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -21.212 2.293 3.941 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -21.278 4.037 4.099 1.00 0.41 H new ATOM 0 HG LEU A 4 -22.164 1.988 6.144 1.00 0.56 H new ATOM 0 HD11 LEU A 4 -20.372 3.002 7.501 1.00 1.16 H new ATOM 0 HD12 LEU A 4 -19.746 2.316 5.983 1.00 1.16 H new ATOM 0 HD13 LEU A 4 -19.961 4.075 6.143 1.00 1.16 H new ATOM 0 HD21 LEU A 4 -22.654 3.887 7.625 1.00 1.46 H new ATOM 0 HD22 LEU A 4 -22.339 5.011 6.281 1.00 1.46 H new ATOM 0 HD23 LEU A 4 -23.705 3.874 6.189 1.00 1.46 H new ATOM 151 N SER A 5 -23.147 4.155 1.564 1.00 0.41 N ATOM 152 CA SER A 5 -22.962 4.257 0.131 1.00 0.42 C ATOM 153 C SER A 5 -21.569 4.806 -0.125 1.00 0.37 C ATOM 154 O SER A 5 -21.314 5.997 0.067 1.00 0.42 O ATOM 155 CB SER A 5 -24.023 5.162 -0.499 1.00 0.51 C ATOM 156 OG SER A 5 -25.333 4.697 -0.220 1.00 1.28 O ATOM 0 H SER A 5 -23.382 5.037 2.018 1.00 0.41 H new ATOM 0 HA SER A 5 -23.069 3.273 -0.325 1.00 0.42 H new ATOM 0 HB2 SER A 5 -23.908 6.178 -0.121 1.00 0.51 H new ATOM 0 HB3 SER A 5 -23.873 5.205 -1.578 1.00 0.51 H new ATOM 0 HG SER A 5 -25.579 4.943 0.696 1.00 1.28 H new ATOM 162 N LEU A 6 -20.665 3.934 -0.523 1.00 0.31 N ATOM 163 CA LEU A 6 -19.262 4.282 -0.606 1.00 0.28 C ATOM 164 C LEU A 6 -18.816 4.347 -2.056 1.00 0.28 C ATOM 165 O LEU A 6 -19.170 3.483 -2.864 1.00 0.31 O ATOM 166 CB LEU A 6 -18.427 3.250 0.160 1.00 0.26 C ATOM 167 CG LEU A 6 -18.914 2.947 1.582 1.00 0.33 C ATOM 168 CD1 LEU A 6 -18.035 1.900 2.248 1.00 0.61 C ATOM 169 CD2 LEU A 6 -18.955 4.216 2.415 1.00 0.62 C ATOM 0 H LEU A 6 -20.879 2.975 -0.795 1.00 0.31 H new ATOM 0 HA LEU A 6 -19.115 5.264 -0.157 1.00 0.28 H new ATOM 0 HB2 LEU A 6 -18.415 2.320 -0.409 1.00 0.26 H new ATOM 0 HB3 LEU A 6 -17.398 3.605 0.213 1.00 0.26 H new ATOM 0 HG LEU A 6 -19.925 2.546 1.513 1.00 0.33 H new ATOM 0 HD11 LEU A 6 -18.402 1.704 3.255 1.00 0.61 H new ATOM 0 HD12 LEU A 6 -18.062 0.979 1.666 1.00 0.61 H new ATOM 0 HD13 LEU A 6 -17.010 2.266 2.301 1.00 0.61 H new ATOM 0 HD21 LEU A 6 -19.303 3.980 3.421 1.00 0.62 H new ATOM 0 HD22 LEU A 6 -17.956 4.648 2.469 1.00 0.62 H new ATOM 0 HD23 LEU A 6 -19.636 4.932 1.954 1.00 0.62 H new ATOM 181 N LYS A 7 -18.064 5.383 -2.389 1.00 0.29 N ATOM 182 CA LYS A 7 -17.481 5.496 -3.712 1.00 0.31 C ATOM 183 C LYS A 7 -16.238 4.642 -3.804 1.00 0.29 C ATOM 184 O LYS A 7 -15.205 4.976 -3.232 1.00 0.31 O ATOM 185 CB LYS A 7 -17.128 6.939 -4.054 1.00 0.39 C ATOM 186 CG LYS A 7 -18.254 7.699 -4.720 1.00 0.52 C ATOM 187 CD LYS A 7 -17.727 8.936 -5.421 1.00 0.63 C ATOM 188 CE LYS A 7 -18.799 9.581 -6.273 1.00 0.94 C ATOM 189 NZ LYS A 7 -19.905 10.126 -5.444 1.00 1.72 N ATOM 0 H LYS A 7 -17.844 6.156 -1.761 1.00 0.29 H new ATOM 0 HA LYS A 7 -18.226 5.149 -4.428 1.00 0.31 H new ATOM 0 HB2 LYS A 7 -16.840 7.460 -3.141 1.00 0.39 H new ATOM 0 HB3 LYS A 7 -16.259 6.945 -4.711 1.00 0.39 H new ATOM 0 HG2 LYS A 7 -18.758 7.054 -5.440 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -18.996 7.986 -3.975 1.00 0.52 H new ATOM 0 HD2 LYS A 7 -17.368 9.651 -4.681 1.00 0.63 H new ATOM 0 HD3 LYS A 7 -16.875 8.668 -6.045 1.00 0.63 H new ATOM 0 HE2 LYS A 7 -18.359 10.383 -6.866 1.00 0.94 H new ATOM 0 HE3 LYS A 7 -19.197 8.848 -6.974 1.00 0.94 H new ATOM 0 HZ1 LYS A 7 -20.595 10.604 -6.057 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 -20.373 9.349 -4.936 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 -19.521 10.807 -4.758 1.00 1.72 H new ATOM 203 N ILE A 8 -16.339 3.539 -4.510 1.00 0.28 N ATOM 204 CA ILE A 8 -15.218 2.646 -4.660 1.00 0.28 C ATOM 205 C ILE A 8 -14.438 3.005 -5.910 1.00 0.31 C ATOM 206 O ILE A 8 -14.832 2.660 -7.022 1.00 0.34 O ATOM 207 CB ILE A 8 -15.658 1.174 -4.749 1.00 0.33 C ATOM 208 CG1 ILE A 8 -16.572 0.806 -3.575 1.00 0.58 C ATOM 209 CG2 ILE A 8 -14.436 0.274 -4.784 1.00 0.32 C ATOM 210 CD1 ILE A 8 -15.937 1.005 -2.215 1.00 0.51 C ATOM 0 H ILE A 8 -17.188 3.240 -4.989 1.00 0.28 H new ATOM 0 HA ILE A 8 -14.593 2.760 -3.775 1.00 0.28 H new ATOM 0 HB ILE A 8 -16.226 1.032 -5.669 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -17.480 1.407 -3.632 1.00 0.58 H new ATOM 0 HG13 ILE A 8 -16.873 -0.237 -3.675 1.00 0.58 H new ATOM 0 HG21 ILE A 8 -14.753 -0.767 -4.847 1.00 0.32 H new ATOM 0 HG22 ILE A 8 -13.827 0.521 -5.653 1.00 0.32 H new ATOM 0 HG23 ILE A 8 -13.850 0.421 -3.877 1.00 0.32 H new ATOM 0 HD11 ILE A 8 -16.647 0.723 -1.437 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -15.045 0.383 -2.135 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -15.661 2.052 -2.092 1.00 0.51 H new ATOM 222 N SER A 9 -13.344 3.711 -5.727 1.00 0.33 N ATOM 223 CA SER A 9 -12.520 4.108 -6.847 1.00 0.39 C ATOM 224 C SER A 9 -11.399 3.096 -7.032 1.00 0.37 C ATOM 225 O SER A 9 -10.723 2.725 -6.076 1.00 0.45 O ATOM 226 CB SER A 9 -11.957 5.516 -6.638 1.00 0.46 C ATOM 227 OG SER A 9 -12.994 6.463 -6.453 1.00 1.48 O ATOM 0 H SER A 9 -13.005 4.021 -4.816 1.00 0.33 H new ATOM 0 HA SER A 9 -13.131 4.131 -7.749 1.00 0.39 H new ATOM 0 HB2 SER A 9 -11.298 5.521 -5.770 1.00 0.46 H new ATOM 0 HB3 SER A 9 -11.352 5.800 -7.499 1.00 0.46 H new ATOM 0 HG SER A 9 -12.605 7.353 -6.320 1.00 1.48 H new ATOM 233 N ILE A 10 -11.233 2.626 -8.253 1.00 0.40 N ATOM 234 CA ILE A 10 -10.221 1.634 -8.567 1.00 0.42 C ATOM 235 C ILE A 10 -9.347 2.149 -9.702 1.00 0.50 C ATOM 236 O ILE A 10 -9.679 1.991 -10.879 1.00 0.53 O ATOM 237 CB ILE A 10 -10.859 0.282 -8.963 1.00 0.40 C ATOM 238 CG1 ILE A 10 -11.828 -0.183 -7.871 1.00 0.38 C ATOM 239 CG2 ILE A 10 -9.779 -0.767 -9.203 1.00 0.45 C ATOM 240 CD1 ILE A 10 -12.619 -1.421 -8.235 1.00 0.43 C ATOM 0 H ILE A 10 -11.793 2.919 -9.053 1.00 0.40 H new ATOM 0 HA ILE A 10 -9.614 1.467 -7.677 1.00 0.42 H new ATOM 0 HB ILE A 10 -11.417 0.416 -9.890 1.00 0.40 H new ATOM 0 HG12 ILE A 10 -11.264 -0.380 -6.959 1.00 0.38 H new ATOM 0 HG13 ILE A 10 -12.523 0.627 -7.647 1.00 0.38 H new ATOM 0 HG21 ILE A 10 -10.245 -1.712 -9.481 1.00 0.45 H new ATOM 0 HG22 ILE A 10 -9.123 -0.436 -10.008 1.00 0.45 H new ATOM 0 HG23 ILE A 10 -9.196 -0.904 -8.292 1.00 0.45 H new ATOM 0 HD11 ILE A 10 -13.281 -1.685 -7.410 1.00 0.43 H new ATOM 0 HD12 ILE A 10 -13.212 -1.224 -9.128 1.00 0.43 H new ATOM 0 HD13 ILE A 10 -11.934 -2.246 -8.429 1.00 0.43 H new ATOM 252 N GLY A 11 -8.255 2.803 -9.342 1.00 0.59 N ATOM 253 CA GLY A 11 -7.399 3.415 -10.335 1.00 0.68 C ATOM 254 C GLY A 11 -8.040 4.648 -10.940 1.00 0.75 C ATOM 255 O GLY A 11 -8.049 5.715 -10.326 1.00 0.96 O ATOM 0 H GLY A 11 -7.945 2.921 -8.377 1.00 0.59 H new ATOM 0 HA2 GLY A 11 -6.447 3.686 -9.878 1.00 0.68 H new ATOM 0 HA3 GLY A 11 -7.181 2.694 -11.123 1.00 0.68 H new ATOM 259 N ASN A 12 -8.601 4.495 -12.132 1.00 0.75 N ATOM 260 CA ASN A 12 -9.251 5.606 -12.820 1.00 0.90 C ATOM 261 C ASN A 12 -10.771 5.481 -12.763 1.00 0.84 C ATOM 262 O ASN A 12 -11.489 6.465 -12.945 1.00 1.09 O ATOM 263 CB ASN A 12 -8.782 5.691 -14.279 1.00 1.09 C ATOM 264 CG ASN A 12 -8.939 4.381 -15.033 1.00 1.77 C ATOM 265 OD1 ASN A 12 -8.047 3.534 -15.007 1.00 2.62 O ATOM 266 ND2 ASN A 12 -10.062 4.207 -15.715 1.00 2.17 N ATOM 0 H ASN A 12 -8.620 3.613 -12.644 1.00 0.75 H new ATOM 0 HA ASN A 12 -8.966 6.524 -12.305 1.00 0.90 H new ATOM 0 HB2 ASN A 12 -9.348 6.468 -14.792 1.00 1.09 H new ATOM 0 HB3 ASN A 12 -7.735 5.993 -14.301 1.00 1.09 H new ATOM 0 HD21 ASN A 12 -10.210 3.347 -16.243 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -10.778 4.933 -15.712 1.00 2.17 H new ATOM 273 N VAL A 13 -11.262 4.279 -12.494 1.00 0.65 N ATOM 274 CA VAL A 13 -12.698 4.042 -12.450 1.00 0.61 C ATOM 275 C VAL A 13 -13.216 4.204 -11.019 1.00 0.53 C ATOM 276 O VAL A 13 -12.444 4.133 -10.067 1.00 0.50 O ATOM 277 CB VAL A 13 -13.056 2.632 -12.991 1.00 0.61 C ATOM 278 CG1 VAL A 13 -12.612 1.540 -12.029 1.00 0.55 C ATOM 279 CG2 VAL A 13 -14.545 2.513 -13.284 1.00 0.65 C ATOM 0 H VAL A 13 -10.690 3.456 -12.304 1.00 0.65 H new ATOM 0 HA VAL A 13 -13.179 4.780 -13.092 1.00 0.61 H new ATOM 0 HB VAL A 13 -12.515 2.498 -13.928 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -12.878 0.565 -12.438 1.00 0.55 H new ATOM 0 HG12 VAL A 13 -11.532 1.594 -11.891 1.00 0.55 H new ATOM 0 HG13 VAL A 13 -13.108 1.678 -11.068 1.00 0.55 H new ATOM 0 HG21 VAL A 13 -14.763 1.514 -13.661 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -15.111 2.687 -12.369 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -14.829 3.253 -14.032 1.00 0.65 H new ATOM 289 N VAL A 14 -14.510 4.440 -10.878 1.00 0.51 N ATOM 290 CA VAL A 14 -15.139 4.522 -9.566 1.00 0.46 C ATOM 291 C VAL A 14 -16.566 3.986 -9.631 1.00 0.41 C ATOM 292 O VAL A 14 -17.356 4.370 -10.493 1.00 0.45 O ATOM 293 CB VAL A 14 -15.117 5.962 -8.988 1.00 0.53 C ATOM 294 CG1 VAL A 14 -15.539 6.981 -10.025 1.00 0.62 C ATOM 295 CG2 VAL A 14 -15.997 6.075 -7.747 1.00 0.50 C ATOM 0 H VAL A 14 -15.150 4.579 -11.660 1.00 0.51 H new ATOM 0 HA VAL A 14 -14.555 3.902 -8.886 1.00 0.46 H new ATOM 0 HB VAL A 14 -14.088 6.176 -8.699 1.00 0.53 H new ATOM 0 HG11 VAL A 14 -15.512 7.979 -9.587 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -14.857 6.939 -10.874 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -16.552 6.760 -10.362 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -15.960 7.096 -7.366 1.00 0.50 H new ATOM 0 HG22 VAL A 14 -17.025 5.821 -8.006 1.00 0.50 H new ATOM 0 HG23 VAL A 14 -15.636 5.389 -6.981 1.00 0.50 H new ATOM 305 N LYS A 15 -16.871 3.076 -8.724 1.00 0.39 N ATOM 306 CA LYS A 15 -18.167 2.423 -8.670 1.00 0.41 C ATOM 307 C LYS A 15 -18.810 2.670 -7.317 1.00 0.35 C ATOM 308 O LYS A 15 -18.120 2.805 -6.313 1.00 0.31 O ATOM 309 CB LYS A 15 -18.030 0.919 -8.923 1.00 0.50 C ATOM 310 CG LYS A 15 -17.750 0.562 -10.375 1.00 0.67 C ATOM 311 CD LYS A 15 -18.894 0.999 -11.278 1.00 0.80 C ATOM 312 CE LYS A 15 -18.660 0.605 -12.728 1.00 1.02 C ATOM 313 NZ LYS A 15 -18.643 -0.871 -12.921 1.00 1.28 N ATOM 0 H LYS A 15 -16.223 2.767 -8.000 1.00 0.39 H new ATOM 0 HA LYS A 15 -18.801 2.843 -9.451 1.00 0.41 H new ATOM 0 HB2 LYS A 15 -17.225 0.528 -8.301 1.00 0.50 H new ATOM 0 HB3 LYS A 15 -18.947 0.422 -8.607 1.00 0.50 H new ATOM 0 HG2 LYS A 15 -16.825 1.040 -10.698 1.00 0.67 H new ATOM 0 HG3 LYS A 15 -17.602 -0.514 -10.466 1.00 0.67 H new ATOM 0 HD2 LYS A 15 -19.824 0.552 -10.927 1.00 0.80 H new ATOM 0 HD3 LYS A 15 -19.015 2.080 -11.211 1.00 0.80 H new ATOM 0 HE2 LYS A 15 -19.442 1.041 -13.350 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -17.712 1.024 -13.067 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -19.304 -1.129 -13.682 1.00 1.28 H new ATOM 0 HZ2 LYS A 15 -17.683 -1.176 -13.178 1.00 1.28 H new ATOM 0 HZ3 LYS A 15 -18.931 -1.340 -12.038 1.00 1.28 H new ATOM 327 N THR A 16 -20.124 2.737 -7.286 1.00 0.38 N ATOM 328 CA THR A 16 -20.825 3.016 -6.048 1.00 0.37 C ATOM 329 C THR A 16 -21.288 1.710 -5.420 1.00 0.35 C ATOM 330 O THR A 16 -22.017 0.935 -6.038 1.00 0.39 O ATOM 331 CB THR A 16 -22.040 3.934 -6.282 1.00 0.45 C ATOM 332 OG1 THR A 16 -21.642 5.078 -7.051 1.00 0.50 O ATOM 333 CG2 THR A 16 -22.638 4.392 -4.959 1.00 0.45 C ATOM 0 H THR A 16 -20.727 2.603 -8.098 1.00 0.38 H new ATOM 0 HA THR A 16 -20.136 3.530 -5.378 1.00 0.37 H new ATOM 0 HB THR A 16 -22.797 3.369 -6.827 1.00 0.45 H new ATOM 0 HG1 THR A 16 -22.418 5.658 -7.199 1.00 0.50 H new ATOM 0 HG21 THR A 16 -23.494 5.039 -5.151 1.00 0.45 H new ATOM 0 HG22 THR A 16 -22.961 3.523 -4.386 1.00 0.45 H new ATOM 0 HG23 THR A 16 -21.888 4.943 -4.392 1.00 0.45 H new ATOM 341 N MET A 17 -20.846 1.464 -4.198 1.00 0.31 N ATOM 342 CA MET A 17 -21.146 0.222 -3.506 1.00 0.32 C ATOM 343 C MET A 17 -21.691 0.519 -2.127 1.00 0.32 C ATOM 344 O MET A 17 -21.267 1.472 -1.478 1.00 0.31 O ATOM 345 CB MET A 17 -19.890 -0.642 -3.377 1.00 0.34 C ATOM 346 CG MET A 17 -19.593 -1.497 -4.595 1.00 0.44 C ATOM 347 SD MET A 17 -20.647 -2.959 -4.697 1.00 1.04 S ATOM 348 CE MET A 17 -20.140 -3.859 -3.228 1.00 0.40 C ATOM 0 H MET A 17 -20.273 2.115 -3.661 1.00 0.31 H new ATOM 0 HA MET A 17 -21.891 -0.321 -4.087 1.00 0.32 H new ATOM 0 HB2 MET A 17 -19.035 0.006 -3.186 1.00 0.34 H new ATOM 0 HB3 MET A 17 -19.998 -1.292 -2.509 1.00 0.34 H new ATOM 0 HG2 MET A 17 -19.724 -0.897 -5.495 1.00 0.44 H new ATOM 0 HG3 MET A 17 -18.549 -1.809 -4.569 1.00 0.44 H new ATOM 0 HE1 MET A 17 -20.370 -4.917 -3.352 1.00 0.40 H new ATOM 0 HE2 MET A 17 -19.067 -3.736 -3.078 1.00 0.40 H new ATOM 0 HE3 MET A 17 -20.674 -3.471 -2.361 1.00 0.40 H new ATOM 358 N GLN A 18 -22.632 -0.285 -1.684 1.00 0.36 N ATOM 359 CA GLN A 18 -23.174 -0.140 -0.352 1.00 0.37 C ATOM 360 C GLN A 18 -22.810 -1.335 0.498 1.00 0.35 C ATOM 361 O GLN A 18 -22.890 -2.481 0.048 1.00 0.38 O ATOM 362 CB GLN A 18 -24.685 0.060 -0.407 1.00 0.44 C ATOM 363 CG GLN A 18 -25.070 1.519 -0.540 1.00 0.49 C ATOM 364 CD GLN A 18 -26.433 1.720 -1.162 1.00 0.59 C ATOM 365 OE1 GLN A 18 -27.452 1.748 -0.472 1.00 0.92 O ATOM 366 NE2 GLN A 18 -26.456 1.877 -2.476 1.00 0.60 N ATOM 0 H GLN A 18 -23.038 -1.047 -2.228 1.00 0.36 H new ATOM 0 HA GLN A 18 -22.737 0.746 0.109 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -25.092 -0.499 -1.250 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -25.136 -0.351 0.496 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -25.055 1.983 0.446 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -24.322 2.032 -1.145 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -25.587 1.847 -3.009 1.00 0.60 H new ATOM 0 HE22 GLN A 18 -27.343 2.029 -2.956 1.00 0.60 H new ATOM 375 N PHE A 19 -22.398 -1.066 1.724 1.00 0.34 N ATOM 376 CA PHE A 19 -21.972 -2.103 2.641 1.00 0.33 C ATOM 377 C PHE A 19 -22.613 -1.826 3.985 1.00 0.37 C ATOM 378 O PHE A 19 -22.952 -0.680 4.283 1.00 0.40 O ATOM 379 CB PHE A 19 -20.447 -2.097 2.820 1.00 0.29 C ATOM 380 CG PHE A 19 -19.651 -2.157 1.543 1.00 0.27 C ATOM 381 CD1 PHE A 19 -19.356 -3.375 0.954 1.00 0.33 C ATOM 382 CD2 PHE A 19 -19.222 -0.998 0.923 1.00 0.30 C ATOM 383 CE1 PHE A 19 -18.644 -3.435 -0.227 1.00 0.36 C ATOM 384 CE2 PHE A 19 -18.512 -1.051 -0.261 1.00 0.31 C ATOM 385 CZ PHE A 19 -18.141 -2.263 -0.786 1.00 0.31 C ATOM 0 H PHE A 19 -22.350 -0.123 2.110 1.00 0.34 H new ATOM 0 HA PHE A 19 -22.268 -3.073 2.242 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -20.165 -1.195 3.363 1.00 0.29 H new ATOM 0 HB3 PHE A 19 -20.167 -2.946 3.444 1.00 0.29 H new ATOM 0 HD1 PHE A 19 -19.687 -4.289 1.424 1.00 0.33 H new ATOM 0 HD2 PHE A 19 -19.445 -0.040 1.369 1.00 0.30 H new ATOM 0 HE1 PHE A 19 -18.478 -4.384 -0.714 1.00 0.36 H new ATOM 0 HE2 PHE A 19 -18.249 -0.138 -0.774 1.00 0.31 H new ATOM 0 HZ PHE A 19 -17.464 -2.308 -1.626 1.00 0.31 H new ATOM 395 N GLU A 20 -22.774 -2.846 4.797 1.00 0.39 N ATOM 396 CA GLU A 20 -23.280 -2.644 6.141 1.00 0.43 C ATOM 397 C GLU A 20 -22.204 -1.962 6.981 1.00 0.44 C ATOM 398 O GLU A 20 -21.011 -2.095 6.699 1.00 0.47 O ATOM 399 CB GLU A 20 -23.705 -3.964 6.798 1.00 0.50 C ATOM 400 CG GLU A 20 -24.835 -4.694 6.083 1.00 0.61 C ATOM 401 CD GLU A 20 -24.351 -5.595 4.964 1.00 0.90 C ATOM 402 OE1 GLU A 20 -24.060 -6.776 5.226 1.00 1.06 O ATOM 403 OE2 GLU A 20 -24.250 -5.118 3.813 1.00 1.42 O ATOM 0 H GLU A 20 -22.565 -3.815 4.557 1.00 0.39 H new ATOM 0 HA GLU A 20 -24.167 -2.013 6.082 1.00 0.43 H new ATOM 0 HB2 GLU A 20 -22.839 -4.624 6.850 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -24.013 -3.761 7.824 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -25.389 -5.291 6.808 1.00 0.61 H new ATOM 0 HG3 GLU A 20 -25.531 -3.961 5.675 1.00 0.61 H new ATOM 410 N PRO A 21 -22.602 -1.221 8.022 1.00 0.50 N ATOM 411 CA PRO A 21 -21.662 -0.487 8.865 1.00 0.53 C ATOM 412 C PRO A 21 -20.609 -1.413 9.476 1.00 0.53 C ATOM 413 O PRO A 21 -19.441 -1.041 9.626 1.00 0.65 O ATOM 414 CB PRO A 21 -22.537 0.131 9.962 1.00 0.57 C ATOM 415 CG PRO A 21 -23.947 0.049 9.471 1.00 0.61 C ATOM 416 CD PRO A 21 -23.997 -1.046 8.447 1.00 0.62 C ATOM 0 HA PRO A 21 -21.106 0.258 8.296 1.00 0.53 H new ATOM 0 HB2 PRO A 21 -22.421 -0.409 10.902 1.00 0.57 H new ATOM 0 HB3 PRO A 21 -22.251 1.166 10.151 1.00 0.57 H new ATOM 0 HG2 PRO A 21 -24.629 -0.163 10.294 1.00 0.61 H new ATOM 0 HG3 PRO A 21 -24.258 0.998 9.035 1.00 0.61 H new ATOM 0 HD2 PRO A 21 -24.401 -1.966 8.870 1.00 0.62 H new ATOM 0 HD3 PRO A 21 -24.636 -0.774 7.607 1.00 0.62 H new ATOM 424 N SER A 22 -21.026 -2.636 9.782 1.00 0.50 N ATOM 425 CA SER A 22 -20.159 -3.611 10.425 1.00 0.61 C ATOM 426 C SER A 22 -19.669 -4.670 9.436 1.00 0.84 C ATOM 427 O SER A 22 -19.152 -5.708 9.844 1.00 1.64 O ATOM 428 CB SER A 22 -20.918 -4.276 11.572 1.00 0.68 C ATOM 429 OG SER A 22 -22.219 -4.668 11.152 1.00 1.32 O ATOM 0 H SER A 22 -21.969 -2.976 9.592 1.00 0.50 H new ATOM 0 HA SER A 22 -19.281 -3.091 10.809 1.00 0.61 H new ATOM 0 HB2 SER A 22 -20.366 -5.148 11.923 1.00 0.68 H new ATOM 0 HB3 SER A 22 -20.994 -3.586 12.413 1.00 0.68 H new ATOM 0 HG SER A 22 -22.690 -5.093 11.899 1.00 1.32 H new ATOM 435 N THR A 23 -19.828 -4.399 8.140 1.00 0.41 N ATOM 436 CA THR A 23 -19.443 -5.346 7.094 1.00 0.49 C ATOM 437 C THR A 23 -17.995 -5.813 7.233 1.00 0.63 C ATOM 438 O THR A 23 -17.711 -6.996 7.066 1.00 1.47 O ATOM 439 CB THR A 23 -19.666 -4.734 5.693 1.00 0.51 C ATOM 440 OG1 THR A 23 -21.047 -4.821 5.354 1.00 0.68 O ATOM 441 CG2 THR A 23 -18.843 -5.424 4.619 1.00 0.50 C ATOM 0 H THR A 23 -20.223 -3.527 7.789 1.00 0.41 H new ATOM 0 HA THR A 23 -20.083 -6.220 7.213 1.00 0.49 H new ATOM 0 HB THR A 23 -19.343 -3.694 5.737 1.00 0.51 H new ATOM 0 HG1 THR A 23 -21.137 -5.059 4.408 1.00 0.68 H new ATOM 0 HG21 THR A 23 -19.037 -4.955 3.654 1.00 0.50 H new ATOM 0 HG22 THR A 23 -17.784 -5.335 4.859 1.00 0.50 H new ATOM 0 HG23 THR A 23 -19.117 -6.478 4.572 1.00 0.50 H new ATOM 449 N MET A 24 -17.104 -4.881 7.569 1.00 0.54 N ATOM 450 CA MET A 24 -15.665 -5.149 7.661 1.00 0.48 C ATOM 451 C MET A 24 -15.011 -5.167 6.293 1.00 0.43 C ATOM 452 O MET A 24 -15.640 -5.471 5.280 1.00 0.47 O ATOM 453 CB MET A 24 -15.345 -6.481 8.337 1.00 0.60 C ATOM 454 CG MET A 24 -14.598 -6.363 9.644 1.00 0.57 C ATOM 455 SD MET A 24 -15.698 -6.022 11.032 1.00 0.83 S ATOM 456 CE MET A 24 -14.555 -6.118 12.405 1.00 0.71 C ATOM 0 H MET A 24 -17.357 -3.917 7.786 1.00 0.54 H new ATOM 0 HA MET A 24 -15.270 -4.334 8.268 1.00 0.48 H new ATOM 0 HB2 MET A 24 -16.278 -7.016 8.515 1.00 0.60 H new ATOM 0 HB3 MET A 24 -14.755 -7.088 7.651 1.00 0.60 H new ATOM 0 HG2 MET A 24 -14.053 -7.288 9.834 1.00 0.57 H new ATOM 0 HG3 MET A 24 -13.857 -5.567 9.566 1.00 0.57 H new ATOM 0 HE1 MET A 24 -14.922 -6.841 13.134 1.00 0.71 H new ATOM 0 HE2 MET A 24 -13.576 -6.433 12.042 1.00 0.71 H new ATOM 0 HE3 MET A 24 -14.470 -5.139 12.876 1.00 0.71 H new ATOM 466 N VAL A 25 -13.738 -4.819 6.291 1.00 0.40 N ATOM 467 CA VAL A 25 -12.894 -4.948 5.116 1.00 0.38 C ATOM 468 C VAL A 25 -13.013 -6.334 4.479 1.00 0.39 C ATOM 469 O VAL A 25 -13.148 -6.450 3.259 1.00 0.39 O ATOM 470 CB VAL A 25 -11.422 -4.673 5.474 1.00 0.41 C ATOM 471 CG1 VAL A 25 -10.497 -4.966 4.301 1.00 0.42 C ATOM 472 CG2 VAL A 25 -11.271 -3.234 5.925 1.00 0.40 C ATOM 0 H VAL A 25 -13.258 -4.438 7.106 1.00 0.40 H new ATOM 0 HA VAL A 25 -13.238 -4.209 4.392 1.00 0.38 H new ATOM 0 HB VAL A 25 -11.135 -5.340 6.287 1.00 0.41 H new ATOM 0 HG11 VAL A 25 -9.466 -4.761 4.590 1.00 0.42 H new ATOM 0 HG12 VAL A 25 -10.592 -6.014 4.016 1.00 0.42 H new ATOM 0 HG13 VAL A 25 -10.770 -4.334 3.456 1.00 0.42 H new ATOM 0 HG21 VAL A 25 -10.229 -3.040 6.178 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -11.580 -2.566 5.121 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -11.896 -3.060 6.801 1.00 0.40 H new ATOM 482 N TYR A 26 -12.998 -7.384 5.304 1.00 0.42 N ATOM 483 CA TYR A 26 -12.936 -8.741 4.771 1.00 0.45 C ATOM 484 C TYR A 26 -14.212 -9.121 4.012 1.00 0.43 C ATOM 485 O TYR A 26 -14.155 -9.800 2.984 1.00 0.42 O ATOM 486 CB TYR A 26 -12.585 -9.780 5.850 1.00 0.52 C ATOM 487 CG TYR A 26 -13.648 -10.064 6.891 1.00 0.56 C ATOM 488 CD1 TYR A 26 -14.678 -10.962 6.635 1.00 0.70 C ATOM 489 CD2 TYR A 26 -13.592 -9.473 8.145 1.00 0.58 C ATOM 490 CE1 TYR A 26 -15.623 -11.258 7.597 1.00 0.78 C ATOM 491 CE2 TYR A 26 -14.539 -9.759 9.111 1.00 0.65 C ATOM 492 CZ TYR A 26 -15.549 -10.653 8.833 1.00 0.72 C ATOM 493 OH TYR A 26 -16.481 -10.954 9.798 1.00 0.83 O ATOM 0 H TYR A 26 -13.027 -7.321 6.322 1.00 0.42 H new ATOM 0 HA TYR A 26 -12.119 -8.749 4.050 1.00 0.45 H new ATOM 0 HB2 TYR A 26 -12.337 -10.717 5.352 1.00 0.52 H new ATOM 0 HB3 TYR A 26 -11.685 -9.445 6.365 1.00 0.52 H new ATOM 0 HD1 TYR A 26 -14.740 -11.436 5.667 1.00 0.70 H new ATOM 0 HD2 TYR A 26 -12.796 -8.779 8.370 1.00 0.58 H new ATOM 0 HE1 TYR A 26 -16.416 -11.960 7.382 1.00 0.78 H new ATOM 0 HE2 TYR A 26 -14.487 -9.283 10.079 1.00 0.65 H new ATOM 0 HH TYR A 26 -16.286 -10.443 10.611 1.00 0.83 H new ATOM 503 N ASP A 27 -15.355 -8.663 4.503 1.00 0.43 N ATOM 504 CA ASP A 27 -16.629 -8.933 3.838 1.00 0.44 C ATOM 505 C ASP A 27 -16.782 -8.021 2.623 1.00 0.39 C ATOM 506 O ASP A 27 -17.225 -8.452 1.559 1.00 0.40 O ATOM 507 CB ASP A 27 -17.795 -8.755 4.815 1.00 0.50 C ATOM 508 CG ASP A 27 -19.160 -9.060 4.217 1.00 0.91 C ATOM 509 OD1 ASP A 27 -19.234 -9.770 3.195 1.00 1.24 O ATOM 510 OD2 ASP A 27 -20.175 -8.607 4.789 1.00 1.48 O ATOM 0 H ASP A 27 -15.430 -8.106 5.354 1.00 0.43 H new ATOM 0 HA ASP A 27 -16.640 -9.968 3.496 1.00 0.44 H new ATOM 0 HB2 ASP A 27 -17.635 -9.403 5.677 1.00 0.50 H new ATOM 0 HB3 ASP A 27 -17.793 -7.729 5.183 1.00 0.50 H new ATOM 515 N ALA A 28 -16.384 -6.763 2.778 1.00 0.37 N ATOM 516 CA ALA A 28 -16.441 -5.801 1.683 1.00 0.33 C ATOM 517 C ALA A 28 -15.674 -6.306 0.464 1.00 0.32 C ATOM 518 O ALA A 28 -16.196 -6.306 -0.652 1.00 0.31 O ATOM 519 CB ALA A 28 -15.889 -4.457 2.135 1.00 0.33 C ATOM 0 H ALA A 28 -16.018 -6.385 3.652 1.00 0.37 H new ATOM 0 HA ALA A 28 -17.485 -5.677 1.396 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -15.937 -3.748 1.309 1.00 0.33 H new ATOM 0 HB2 ALA A 28 -16.481 -4.082 2.970 1.00 0.33 H new ATOM 0 HB3 ALA A 28 -14.853 -4.577 2.451 1.00 0.33 H new ATOM 525 N CYS A 29 -14.445 -6.751 0.696 1.00 0.35 N ATOM 526 CA CYS A 29 -13.579 -7.245 -0.371 1.00 0.37 C ATOM 527 C CYS A 29 -14.206 -8.422 -1.125 1.00 0.38 C ATOM 528 O CYS A 29 -14.032 -8.552 -2.338 1.00 0.40 O ATOM 529 CB CYS A 29 -12.220 -7.656 0.206 1.00 0.45 C ATOM 530 SG CYS A 29 -11.068 -8.335 -1.013 1.00 1.37 S ATOM 0 H CYS A 29 -14.021 -6.780 1.623 1.00 0.35 H new ATOM 0 HA CYS A 29 -13.445 -6.433 -1.086 1.00 0.37 H new ATOM 0 HB2 CYS A 29 -11.761 -6.787 0.678 1.00 0.45 H new ATOM 0 HB3 CYS A 29 -12.380 -8.397 0.989 1.00 0.45 H new ATOM 0 HG CYS A 29 -9.951 -8.649 -0.427 1.00 1.37 H new ATOM 536 N ARG A 30 -14.951 -9.266 -0.422 1.00 0.40 N ATOM 537 CA ARG A 30 -15.481 -10.473 -1.042 1.00 0.44 C ATOM 538 C ARG A 30 -16.716 -10.167 -1.890 1.00 0.42 C ATOM 539 O ARG A 30 -16.958 -10.823 -2.904 1.00 0.45 O ATOM 540 CB ARG A 30 -15.774 -11.551 0.010 1.00 0.49 C ATOM 541 CG ARG A 30 -16.980 -11.294 0.897 1.00 0.53 C ATOM 542 CD ARG A 30 -17.040 -12.321 2.019 1.00 0.71 C ATOM 543 NE ARG A 30 -18.143 -12.076 2.940 1.00 1.12 N ATOM 544 CZ ARG A 30 -18.517 -12.917 3.905 1.00 1.68 C ATOM 545 NH1 ARG A 30 -17.838 -14.038 4.122 1.00 1.94 N ATOM 546 NH2 ARG A 30 -19.557 -12.619 4.674 1.00 2.41 N ATOM 0 H ARG A 30 -15.198 -9.141 0.560 1.00 0.40 H new ATOM 0 HA ARG A 30 -14.716 -10.866 -1.712 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -15.918 -12.502 -0.502 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -14.895 -11.661 0.645 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -16.924 -10.290 1.317 1.00 0.53 H new ATOM 0 HG3 ARG A 30 -17.893 -11.340 0.303 1.00 0.53 H new ATOM 0 HD2 ARG A 30 -17.143 -13.318 1.590 1.00 0.71 H new ATOM 0 HD3 ARG A 30 -16.100 -12.307 2.571 1.00 0.71 H new ATOM 0 HE ARG A 30 -18.663 -11.204 2.840 1.00 1.12 H new ATOM 0 HH11 ARG A 30 -17.024 -14.261 3.549 1.00 1.94 H new ATOM 0 HH12 ARG A 30 -18.130 -14.676 4.862 1.00 1.94 H new ATOM 0 HH21 ARG A 30 -20.068 -11.749 4.526 1.00 2.41 H new ATOM 0 HH22 ARG A 30 -19.845 -13.260 5.413 1.00 2.41 H new ATOM 560 N MET A 31 -17.482 -9.160 -1.487 1.00 0.39 N ATOM 561 CA MET A 31 -18.666 -8.755 -2.235 1.00 0.40 C ATOM 562 C MET A 31 -18.306 -7.889 -3.432 1.00 0.38 C ATOM 563 O MET A 31 -18.886 -8.036 -4.509 1.00 0.44 O ATOM 564 CB MET A 31 -19.625 -7.992 -1.335 1.00 0.39 C ATOM 565 CG MET A 31 -20.032 -8.770 -0.103 1.00 0.43 C ATOM 566 SD MET A 31 -21.090 -7.812 0.987 1.00 0.45 S ATOM 567 CE MET A 31 -19.906 -6.590 1.523 1.00 0.39 C ATOM 0 H MET A 31 -17.305 -8.609 -0.647 1.00 0.39 H new ATOM 0 HA MET A 31 -19.145 -9.664 -2.599 1.00 0.40 H new ATOM 0 HB2 MET A 31 -19.158 -7.056 -1.028 1.00 0.39 H new ATOM 0 HB3 MET A 31 -20.518 -7.732 -1.904 1.00 0.39 H new ATOM 0 HG2 MET A 31 -20.553 -9.679 -0.405 1.00 0.43 H new ATOM 0 HG3 MET A 31 -19.139 -9.080 0.440 1.00 0.43 H new ATOM 0 HE1 MET A 31 -20.418 -5.809 2.084 1.00 0.39 H new ATOM 0 HE2 MET A 31 -19.158 -7.063 2.159 1.00 0.39 H new ATOM 0 HE3 MET A 31 -19.417 -6.151 0.653 1.00 0.39 H new ATOM 577 N ILE A 32 -17.356 -6.980 -3.249 1.00 0.34 N ATOM 578 CA ILE A 32 -16.969 -6.076 -4.323 1.00 0.33 C ATOM 579 C ILE A 32 -16.386 -6.855 -5.500 1.00 0.36 C ATOM 580 O ILE A 32 -16.724 -6.594 -6.652 1.00 0.40 O ATOM 581 CB ILE A 32 -15.975 -4.990 -3.849 1.00 0.30 C ATOM 582 CG1 ILE A 32 -15.653 -4.044 -5.006 1.00 0.40 C ATOM 583 CG2 ILE A 32 -14.700 -5.602 -3.287 1.00 0.30 C ATOM 584 CD1 ILE A 32 -14.599 -3.022 -4.671 1.00 0.48 C ATOM 0 H ILE A 32 -16.844 -6.850 -2.376 1.00 0.34 H new ATOM 0 HA ILE A 32 -17.874 -5.564 -4.649 1.00 0.33 H new ATOM 0 HB ILE A 32 -16.446 -4.426 -3.044 1.00 0.30 H new ATOM 0 HG12 ILE A 32 -15.320 -4.630 -5.862 1.00 0.40 H new ATOM 0 HG13 ILE A 32 -16.565 -3.528 -5.308 1.00 0.40 H new ATOM 0 HG21 ILE A 32 -14.027 -4.808 -2.965 1.00 0.30 H new ATOM 0 HG22 ILE A 32 -14.946 -6.237 -2.436 1.00 0.30 H new ATOM 0 HG23 ILE A 32 -14.213 -6.200 -4.057 1.00 0.30 H new ATOM 0 HD11 ILE A 32 -14.421 -2.385 -5.538 1.00 0.48 H new ATOM 0 HD12 ILE A 32 -14.938 -2.411 -3.835 1.00 0.48 H new ATOM 0 HD13 ILE A 32 -13.674 -3.530 -4.398 1.00 0.48 H new ATOM 596 N ARG A 33 -15.536 -7.830 -5.200 1.00 0.36 N ATOM 597 CA ARG A 33 -14.970 -8.702 -6.222 1.00 0.41 C ATOM 598 C ARG A 33 -16.054 -9.527 -6.906 1.00 0.45 C ATOM 599 O ARG A 33 -15.910 -9.925 -8.059 1.00 0.49 O ATOM 600 CB ARG A 33 -13.907 -9.619 -5.621 1.00 0.45 C ATOM 601 CG ARG A 33 -12.574 -8.927 -5.400 1.00 1.01 C ATOM 602 CD ARG A 33 -11.512 -9.901 -4.924 1.00 0.94 C ATOM 603 NE ARG A 33 -11.651 -10.229 -3.507 1.00 0.64 N ATOM 604 CZ ARG A 33 -11.799 -11.466 -3.033 1.00 0.84 C ATOM 605 NH1 ARG A 33 -11.921 -12.495 -3.864 1.00 1.32 N ATOM 606 NH2 ARG A 33 -11.831 -11.668 -1.724 1.00 1.22 N ATOM 0 H ARG A 33 -15.222 -8.037 -4.252 1.00 0.36 H new ATOM 0 HA ARG A 33 -14.500 -8.069 -6.975 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -14.269 -10.009 -4.669 1.00 0.45 H new ATOM 0 HB3 ARG A 33 -13.760 -10.474 -6.280 1.00 0.45 H new ATOM 0 HG2 ARG A 33 -12.248 -8.458 -6.328 1.00 1.01 H new ATOM 0 HG3 ARG A 33 -12.694 -8.131 -4.665 1.00 1.01 H new ATOM 0 HD2 ARG A 33 -11.572 -10.816 -5.513 1.00 0.94 H new ATOM 0 HD3 ARG A 33 -10.525 -9.473 -5.100 1.00 0.94 H new ATOM 0 HE ARG A 33 -11.634 -9.461 -2.836 1.00 0.64 H new ATOM 0 HH11 ARG A 33 -11.902 -12.341 -4.872 1.00 1.32 H new ATOM 0 HH12 ARG A 33 -12.034 -13.439 -3.494 1.00 1.32 H new ATOM 0 HH21 ARG A 33 -11.743 -10.879 -1.084 1.00 1.22 H new ATOM 0 HH22 ARG A 33 -11.944 -12.613 -1.356 1.00 1.22 H new ATOM 620 N GLU A 34 -17.135 -9.780 -6.186 1.00 0.46 N ATOM 621 CA GLU A 34 -18.222 -10.594 -6.707 1.00 0.51 C ATOM 622 C GLU A 34 -18.920 -9.882 -7.868 1.00 0.50 C ATOM 623 O GLU A 34 -18.940 -10.374 -8.997 1.00 0.54 O ATOM 624 CB GLU A 34 -19.237 -10.887 -5.595 1.00 0.55 C ATOM 625 CG GLU A 34 -20.380 -11.792 -6.021 1.00 0.90 C ATOM 626 CD GLU A 34 -19.906 -13.160 -6.471 1.00 1.51 C ATOM 627 OE1 GLU A 34 -19.690 -14.034 -5.603 1.00 1.50 O ATOM 628 OE2 GLU A 34 -19.753 -13.372 -7.692 1.00 2.40 O ATOM 0 H GLU A 34 -17.283 -9.433 -5.238 1.00 0.46 H new ATOM 0 HA GLU A 34 -17.805 -11.532 -7.072 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -18.717 -11.348 -4.755 1.00 0.55 H new ATOM 0 HB3 GLU A 34 -19.649 -9.944 -5.236 1.00 0.55 H new ATOM 0 HG2 GLU A 34 -21.075 -11.908 -5.190 1.00 0.90 H new ATOM 0 HG3 GLU A 34 -20.931 -11.317 -6.833 1.00 0.90 H new ATOM 635 N ARG A 35 -19.473 -8.717 -7.577 1.00 0.51 N ATOM 636 CA ARG A 35 -20.245 -7.962 -8.560 1.00 0.55 C ATOM 637 C ARG A 35 -19.380 -7.089 -9.477 1.00 0.49 C ATOM 638 O ARG A 35 -19.685 -6.948 -10.661 1.00 0.54 O ATOM 639 CB ARG A 35 -21.317 -7.130 -7.852 1.00 0.72 C ATOM 640 CG ARG A 35 -20.799 -6.339 -6.664 1.00 0.77 C ATOM 641 CD ARG A 35 -21.892 -6.122 -5.631 1.00 0.79 C ATOM 642 NE ARG A 35 -22.976 -5.276 -6.139 1.00 1.02 N ATOM 643 CZ ARG A 35 -23.772 -4.535 -5.364 1.00 1.46 C ATOM 644 NH1 ARG A 35 -23.649 -4.575 -4.043 1.00 1.79 N ATOM 645 NH2 ARG A 35 -24.705 -3.767 -5.917 1.00 1.90 N ATOM 0 H ARG A 35 -19.403 -8.268 -6.664 1.00 0.51 H new ATOM 0 HA ARG A 35 -20.724 -8.689 -9.216 1.00 0.55 H new ATOM 0 HB2 ARG A 35 -21.760 -6.440 -8.570 1.00 0.72 H new ATOM 0 HB3 ARG A 35 -22.113 -7.793 -7.515 1.00 0.72 H new ATOM 0 HG2 ARG A 35 -19.963 -6.869 -6.207 1.00 0.77 H new ATOM 0 HG3 ARG A 35 -20.419 -5.375 -7.003 1.00 0.77 H new ATOM 0 HD2 ARG A 35 -22.299 -7.087 -5.327 1.00 0.79 H new ATOM 0 HD3 ARG A 35 -21.462 -5.663 -4.741 1.00 0.79 H new ATOM 0 HE ARG A 35 -23.132 -5.252 -7.147 1.00 1.02 H new ATOM 0 HH11 ARG A 35 -22.943 -5.174 -3.614 1.00 1.79 H new ATOM 0 HH12 ARG A 35 -24.260 -4.007 -3.456 1.00 1.79 H new ATOM 0 HH21 ARG A 35 -24.812 -3.745 -6.931 1.00 1.90 H new ATOM 0 HH22 ARG A 35 -25.314 -3.200 -5.327 1.00 1.90 H new ATOM 659 N ILE A 36 -18.307 -6.510 -8.948 1.00 0.45 N ATOM 660 CA ILE A 36 -17.497 -5.574 -9.725 1.00 0.43 C ATOM 661 C ILE A 36 -16.229 -6.241 -10.255 1.00 0.45 C ATOM 662 O ILE A 36 -15.377 -6.686 -9.485 1.00 0.44 O ATOM 663 CB ILE A 36 -17.114 -4.329 -8.893 1.00 0.43 C ATOM 664 CG1 ILE A 36 -18.369 -3.674 -8.311 1.00 0.43 C ATOM 665 CG2 ILE A 36 -16.345 -3.326 -9.745 1.00 0.44 C ATOM 666 CD1 ILE A 36 -18.079 -2.442 -7.484 1.00 0.44 C ATOM 0 H ILE A 36 -17.979 -6.669 -7.995 1.00 0.45 H new ATOM 0 HA ILE A 36 -18.109 -5.257 -10.570 1.00 0.43 H new ATOM 0 HB ILE A 36 -16.470 -4.649 -8.074 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -19.040 -3.404 -9.127 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -18.895 -4.401 -7.693 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -16.086 -2.458 -9.139 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -15.434 -3.791 -10.121 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -16.965 -3.011 -10.584 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -19.014 -2.031 -7.104 1.00 0.44 H new ATOM 0 HD12 ILE A 36 -17.433 -2.709 -6.647 1.00 0.44 H new ATOM 0 HD13 ILE A 36 -17.580 -1.697 -8.104 1.00 0.44 H new ATOM 678 N PRO A 37 -16.095 -6.329 -11.587 1.00 0.53 N ATOM 679 CA PRO A 37 -14.932 -6.942 -12.240 1.00 0.60 C ATOM 680 C PRO A 37 -13.671 -6.080 -12.152 1.00 0.61 C ATOM 681 O PRO A 37 -12.556 -6.593 -12.232 1.00 0.71 O ATOM 682 CB PRO A 37 -15.369 -7.094 -13.705 1.00 0.73 C ATOM 683 CG PRO A 37 -16.831 -6.788 -13.728 1.00 0.76 C ATOM 684 CD PRO A 37 -17.082 -5.870 -12.570 1.00 0.60 C ATOM 0 HA PRO A 37 -14.663 -7.882 -11.759 1.00 0.60 H new ATOM 0 HB2 PRO A 37 -14.817 -6.411 -14.351 1.00 0.73 H new ATOM 0 HB3 PRO A 37 -15.175 -8.103 -14.068 1.00 0.73 H new ATOM 0 HG2 PRO A 37 -17.116 -6.316 -14.668 1.00 0.76 H new ATOM 0 HG3 PRO A 37 -17.421 -7.700 -13.638 1.00 0.76 H new ATOM 0 HD2 PRO A 37 -16.931 -4.825 -12.840 1.00 0.60 H new ATOM 0 HD3 PRO A 37 -18.101 -5.959 -12.194 1.00 0.60 H new ATOM 692 N GLU A 38 -13.847 -4.774 -11.983 1.00 0.57 N ATOM 693 CA GLU A 38 -12.717 -3.848 -11.902 1.00 0.61 C ATOM 694 C GLU A 38 -11.881 -4.105 -10.654 1.00 0.54 C ATOM 695 O GLU A 38 -10.698 -3.773 -10.612 1.00 0.62 O ATOM 696 CB GLU A 38 -13.189 -2.389 -11.901 1.00 0.75 C ATOM 697 CG GLU A 38 -13.835 -1.931 -13.200 1.00 0.99 C ATOM 698 CD GLU A 38 -15.243 -2.452 -13.379 1.00 1.67 C ATOM 699 OE1 GLU A 38 -16.193 -1.767 -12.947 1.00 2.46 O ATOM 700 OE2 GLU A 38 -15.411 -3.538 -13.962 1.00 2.04 O ATOM 0 H GLU A 38 -14.761 -4.330 -11.899 1.00 0.57 H new ATOM 0 HA GLU A 38 -12.103 -4.021 -12.785 1.00 0.61 H new ATOM 0 HB2 GLU A 38 -13.902 -2.252 -11.088 1.00 0.75 H new ATOM 0 HB3 GLU A 38 -12.336 -1.745 -11.688 1.00 0.75 H new ATOM 0 HG2 GLU A 38 -13.851 -0.841 -13.226 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -13.223 -2.261 -14.039 1.00 0.99 H new ATOM 707 N ALA A 39 -12.505 -4.703 -9.645 1.00 0.47 N ATOM 708 CA ALA A 39 -11.849 -4.941 -8.366 1.00 0.47 C ATOM 709 C ALA A 39 -10.616 -5.828 -8.518 1.00 0.49 C ATOM 710 O ALA A 39 -9.549 -5.524 -7.987 1.00 0.55 O ATOM 711 CB ALA A 39 -12.832 -5.561 -7.385 1.00 0.47 C ATOM 0 H ALA A 39 -13.469 -5.033 -9.690 1.00 0.47 H new ATOM 0 HA ALA A 39 -11.512 -3.979 -7.979 1.00 0.47 H new ATOM 0 HB1 ALA A 39 -12.333 -5.736 -6.432 1.00 0.47 H new ATOM 0 HB2 ALA A 39 -13.673 -4.884 -7.236 1.00 0.47 H new ATOM 0 HB3 ALA A 39 -13.195 -6.508 -7.783 1.00 0.47 H new ATOM 717 N LEU A 40 -10.754 -6.915 -9.258 1.00 0.50 N ATOM 718 CA LEU A 40 -9.665 -7.866 -9.390 1.00 0.59 C ATOM 719 C LEU A 40 -8.902 -7.672 -10.701 1.00 0.67 C ATOM 720 O LEU A 40 -8.954 -8.497 -11.611 1.00 0.99 O ATOM 721 CB LEU A 40 -10.135 -9.331 -9.196 1.00 0.65 C ATOM 722 CG LEU A 40 -11.507 -9.752 -9.777 1.00 0.62 C ATOM 723 CD1 LEU A 40 -12.661 -9.129 -9.008 1.00 1.29 C ATOM 724 CD2 LEU A 40 -11.615 -9.410 -11.249 1.00 1.19 C ATOM 0 H LEU A 40 -11.601 -7.159 -9.772 1.00 0.50 H new ATOM 0 HA LEU A 40 -8.965 -7.660 -8.580 1.00 0.59 H new ATOM 0 HB2 LEU A 40 -9.377 -9.982 -9.632 1.00 0.65 H new ATOM 0 HB3 LEU A 40 -10.153 -9.534 -8.125 1.00 0.65 H new ATOM 0 HG LEU A 40 -11.574 -10.835 -9.669 1.00 0.62 H new ATOM 0 HD11 LEU A 40 -13.606 -9.449 -9.447 1.00 1.29 H new ATOM 0 HD12 LEU A 40 -12.618 -9.448 -7.967 1.00 1.29 H new ATOM 0 HD13 LEU A 40 -12.587 -8.043 -9.058 1.00 1.29 H new ATOM 0 HD21 LEU A 40 -12.591 -9.719 -11.624 1.00 1.19 H new ATOM 0 HD22 LEU A 40 -11.500 -8.334 -11.382 1.00 1.19 H new ATOM 0 HD23 LEU A 40 -10.832 -9.930 -11.802 1.00 1.19 H new ATOM 736 N ALA A 41 -8.195 -6.554 -10.793 1.00 0.65 N ATOM 737 CA ALA A 41 -7.367 -6.268 -11.957 1.00 0.74 C ATOM 738 C ALA A 41 -6.209 -7.260 -12.045 1.00 0.81 C ATOM 739 O ALA A 41 -5.625 -7.474 -13.111 1.00 1.15 O ATOM 740 CB ALA A 41 -6.846 -4.840 -11.894 1.00 0.92 C ATOM 0 H ALA A 41 -8.178 -5.830 -10.075 1.00 0.65 H new ATOM 0 HA ALA A 41 -7.977 -6.374 -12.854 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -6.229 -4.639 -12.770 1.00 0.92 H new ATOM 0 HB2 ALA A 41 -7.687 -4.146 -11.876 1.00 0.92 H new ATOM 0 HB3 ALA A 41 -6.249 -4.710 -10.991 1.00 0.92 H new ATOM 746 N GLY A 42 -5.894 -7.864 -10.912 1.00 0.75 N ATOM 747 CA GLY A 42 -4.866 -8.877 -10.844 1.00 0.86 C ATOM 748 C GLY A 42 -5.195 -9.904 -9.781 1.00 0.80 C ATOM 749 O GLY A 42 -6.350 -10.319 -9.669 1.00 0.82 O ATOM 0 H GLY A 42 -6.344 -7.664 -10.019 1.00 0.75 H new ATOM 0 HA2 GLY A 42 -4.768 -9.368 -11.812 1.00 0.86 H new ATOM 0 HA3 GLY A 42 -3.905 -8.413 -10.623 1.00 0.86 H new ATOM 753 N PRO A 43 -4.214 -10.320 -8.968 1.00 0.83 N ATOM 754 CA PRO A 43 -4.445 -11.264 -7.873 1.00 0.82 C ATOM 755 C PRO A 43 -5.231 -10.614 -6.735 1.00 0.72 C ATOM 756 O PRO A 43 -4.772 -9.644 -6.128 1.00 0.66 O ATOM 757 CB PRO A 43 -3.036 -11.649 -7.404 1.00 0.94 C ATOM 758 CG PRO A 43 -2.094 -11.073 -8.413 1.00 1.09 C ATOM 759 CD PRO A 43 -2.807 -9.913 -9.044 1.00 0.98 C ATOM 0 HA PRO A 43 -5.035 -12.124 -8.191 1.00 0.82 H new ATOM 0 HB2 PRO A 43 -2.834 -11.251 -6.410 1.00 0.94 H new ATOM 0 HB3 PRO A 43 -2.928 -12.732 -7.342 1.00 0.94 H new ATOM 0 HG2 PRO A 43 -1.168 -10.748 -7.939 1.00 1.09 H new ATOM 0 HG3 PRO A 43 -1.825 -11.817 -9.162 1.00 1.09 H new ATOM 0 HD2 PRO A 43 -2.625 -8.984 -8.505 1.00 0.98 H new ATOM 0 HD3 PRO A 43 -2.487 -9.752 -10.073 1.00 0.98 H new ATOM 767 N PRO A 44 -6.418 -11.156 -6.424 1.00 0.76 N ATOM 768 CA PRO A 44 -7.365 -10.551 -5.472 1.00 0.73 C ATOM 769 C PRO A 44 -6.791 -10.329 -4.072 1.00 0.69 C ATOM 770 O PRO A 44 -7.228 -9.428 -3.354 1.00 0.74 O ATOM 771 CB PRO A 44 -8.518 -11.563 -5.411 1.00 0.93 C ATOM 772 CG PRO A 44 -7.962 -12.828 -5.965 1.00 0.99 C ATOM 773 CD PRO A 44 -6.940 -12.414 -6.980 1.00 0.89 C ATOM 0 HA PRO A 44 -7.653 -9.554 -5.805 1.00 0.73 H new ATOM 0 HB2 PRO A 44 -8.866 -11.702 -4.387 1.00 0.93 H new ATOM 0 HB3 PRO A 44 -9.373 -11.221 -5.994 1.00 0.93 H new ATOM 0 HG2 PRO A 44 -7.510 -13.434 -5.179 1.00 0.99 H new ATOM 0 HG3 PRO A 44 -8.745 -13.432 -6.423 1.00 0.99 H new ATOM 0 HD2 PRO A 44 -6.156 -13.163 -7.093 1.00 0.89 H new ATOM 0 HD3 PRO A 44 -7.384 -12.267 -7.964 1.00 0.89 H new ATOM 781 N ASN A 45 -5.803 -11.132 -3.691 1.00 0.72 N ATOM 782 CA ASN A 45 -5.254 -11.066 -2.339 1.00 0.77 C ATOM 783 C ASN A 45 -4.318 -9.875 -2.206 1.00 0.71 C ATOM 784 O ASN A 45 -4.039 -9.405 -1.103 1.00 0.85 O ATOM 785 CB ASN A 45 -4.508 -12.354 -1.979 1.00 0.87 C ATOM 786 CG ASN A 45 -5.318 -13.604 -2.260 1.00 1.41 C ATOM 787 OD1 ASN A 45 -6.136 -14.026 -1.444 1.00 2.21 O ATOM 788 ND2 ASN A 45 -5.075 -14.217 -3.408 1.00 1.37 N ATOM 0 H ASN A 45 -5.368 -11.831 -4.293 1.00 0.72 H new ATOM 0 HA ASN A 45 -6.088 -10.948 -1.647 1.00 0.77 H new ATOM 0 HB2 ASN A 45 -3.576 -12.397 -2.542 1.00 0.87 H new ATOM 0 HB3 ASN A 45 -4.241 -12.330 -0.922 1.00 0.87 H new ATOM 0 HD21 ASN A 45 -5.575 -15.074 -3.644 1.00 1.37 H new ATOM 0 HD22 ASN A 45 -4.388 -13.832 -4.056 1.00 1.37 H new ATOM 795 N ASP A 46 -3.855 -9.376 -3.341 1.00 0.61 N ATOM 796 CA ASP A 46 -2.929 -8.254 -3.363 1.00 0.68 C ATOM 797 C ASP A 46 -3.679 -6.933 -3.343 1.00 0.57 C ATOM 798 O ASP A 46 -3.075 -5.867 -3.313 1.00 0.61 O ATOM 799 CB ASP A 46 -2.031 -8.324 -4.599 1.00 0.83 C ATOM 800 CG ASP A 46 -1.028 -9.459 -4.522 1.00 1.22 C ATOM 801 OD1 ASP A 46 -1.385 -10.606 -4.863 1.00 1.38 O ATOM 802 OD2 ASP A 46 0.128 -9.210 -4.123 1.00 1.90 O ATOM 0 H ASP A 46 -4.106 -9.732 -4.263 1.00 0.61 H new ATOM 0 HA ASP A 46 -2.307 -8.314 -2.470 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -2.650 -8.449 -5.488 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -1.499 -7.380 -4.712 1.00 0.83 H new ATOM 807 N PHE A 47 -5.000 -7.006 -3.356 1.00 0.53 N ATOM 808 CA PHE A 47 -5.827 -5.812 -3.341 1.00 0.47 C ATOM 809 C PHE A 47 -6.426 -5.591 -1.959 1.00 0.44 C ATOM 810 O PHE A 47 -6.854 -6.539 -1.302 1.00 0.48 O ATOM 811 CB PHE A 47 -6.935 -5.911 -4.391 1.00 0.49 C ATOM 812 CG PHE A 47 -6.424 -5.868 -5.802 1.00 0.51 C ATOM 813 CD1 PHE A 47 -6.115 -4.664 -6.410 1.00 0.78 C ATOM 814 CD2 PHE A 47 -6.262 -7.036 -6.523 1.00 0.79 C ATOM 815 CE1 PHE A 47 -5.656 -4.628 -7.709 1.00 0.80 C ATOM 816 CE2 PHE A 47 -5.803 -7.007 -7.823 1.00 0.85 C ATOM 817 CZ PHE A 47 -5.459 -5.775 -8.402 1.00 0.63 C ATOM 0 H PHE A 47 -5.523 -7.882 -3.377 1.00 0.53 H new ATOM 0 HA PHE A 47 -5.195 -4.958 -3.584 1.00 0.47 H new ATOM 0 HB2 PHE A 47 -7.487 -6.839 -4.240 1.00 0.49 H new ATOM 0 HB3 PHE A 47 -7.640 -5.093 -4.243 1.00 0.49 H new ATOM 0 HD1 PHE A 47 -6.235 -3.742 -5.860 1.00 0.78 H new ATOM 0 HD2 PHE A 47 -6.498 -7.984 -6.062 1.00 0.79 H new ATOM 0 HE1 PHE A 47 -5.452 -3.677 -8.178 1.00 0.80 H new ATOM 0 HE2 PHE A 47 -5.709 -7.922 -8.389 1.00 0.85 H new ATOM 0 HZ PHE A 47 -5.039 -5.742 -9.396 1.00 0.63 H new ATOM 827 N GLY A 48 -6.416 -4.347 -1.509 1.00 0.42 N ATOM 828 CA GLY A 48 -6.980 -4.025 -0.214 1.00 0.41 C ATOM 829 C GLY A 48 -7.826 -2.773 -0.238 1.00 0.35 C ATOM 830 O GLY A 48 -7.995 -2.148 -1.287 1.00 0.34 O ATOM 0 H GLY A 48 -6.027 -3.553 -2.017 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -7.587 -4.862 0.131 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -6.173 -3.899 0.507 1.00 0.41 H new ATOM 834 N LEU A 49 -8.348 -2.400 0.921 1.00 0.31 N ATOM 835 CA LEU A 49 -9.215 -1.240 1.028 1.00 0.28 C ATOM 836 C LEU A 49 -8.442 -0.034 1.548 1.00 0.29 C ATOM 837 O LEU A 49 -8.120 0.060 2.731 1.00 0.31 O ATOM 838 CB LEU A 49 -10.412 -1.534 1.937 1.00 0.26 C ATOM 839 CG LEU A 49 -11.343 -2.650 1.455 1.00 0.26 C ATOM 840 CD1 LEU A 49 -12.534 -2.783 2.387 1.00 0.27 C ATOM 841 CD2 LEU A 49 -11.809 -2.383 0.034 1.00 0.25 C ATOM 0 H LEU A 49 -8.185 -2.887 1.802 1.00 0.31 H new ATOM 0 HA LEU A 49 -9.589 -1.009 0.031 1.00 0.28 H new ATOM 0 HB2 LEU A 49 -10.039 -1.797 2.927 1.00 0.26 H new ATOM 0 HB3 LEU A 49 -10.995 -0.620 2.049 1.00 0.26 H new ATOM 0 HG LEU A 49 -10.788 -3.588 1.463 1.00 0.26 H new ATOM 0 HD11 LEU A 49 -13.187 -3.580 2.032 1.00 0.27 H new ATOM 0 HD12 LEU A 49 -12.185 -3.021 3.392 1.00 0.27 H new ATOM 0 HD13 LEU A 49 -13.087 -1.844 2.408 1.00 0.27 H new ATOM 0 HD21 LEU A 49 -12.469 -3.188 -0.290 1.00 0.25 H new ATOM 0 HD22 LEU A 49 -12.347 -1.436 -0.000 1.00 0.25 H new ATOM 0 HD23 LEU A 49 -10.945 -2.334 -0.629 1.00 0.25 H new ATOM 853 N PHE A 50 -8.121 0.860 0.638 1.00 0.29 N ATOM 854 CA PHE A 50 -7.442 2.097 0.978 1.00 0.30 C ATOM 855 C PHE A 50 -8.455 3.223 1.121 1.00 0.30 C ATOM 856 O PHE A 50 -9.279 3.446 0.237 1.00 0.31 O ATOM 857 CB PHE A 50 -6.402 2.441 -0.093 1.00 0.34 C ATOM 858 CG PHE A 50 -5.682 3.738 0.148 1.00 0.34 C ATOM 859 CD1 PHE A 50 -4.644 3.807 1.064 1.00 0.37 C ATOM 860 CD2 PHE A 50 -6.039 4.889 -0.539 1.00 0.36 C ATOM 861 CE1 PHE A 50 -3.976 4.994 1.289 1.00 0.38 C ATOM 862 CE2 PHE A 50 -5.375 6.076 -0.318 1.00 0.38 C ATOM 863 CZ PHE A 50 -4.361 6.142 0.589 1.00 0.37 C ATOM 0 H PHE A 50 -8.322 0.753 -0.356 1.00 0.29 H new ATOM 0 HA PHE A 50 -6.926 1.969 1.930 1.00 0.30 H new ATOM 0 HB2 PHE A 50 -5.670 1.635 -0.146 1.00 0.34 H new ATOM 0 HB3 PHE A 50 -6.896 2.487 -1.063 1.00 0.34 H new ATOM 0 HD1 PHE A 50 -4.354 2.921 1.609 1.00 0.37 H new ATOM 0 HD2 PHE A 50 -6.847 4.854 -1.255 1.00 0.36 H new ATOM 0 HE1 PHE A 50 -3.163 5.036 1.999 1.00 0.38 H new ATOM 0 HE2 PHE A 50 -5.661 6.960 -0.868 1.00 0.38 H new ATOM 0 HZ PHE A 50 -3.855 7.079 0.767 1.00 0.37 H new ATOM 873 N LEU A 51 -8.401 3.936 2.227 1.00 0.30 N ATOM 874 CA LEU A 51 -9.334 5.022 2.447 1.00 0.32 C ATOM 875 C LEU A 51 -8.717 6.321 1.958 1.00 0.36 C ATOM 876 O LEU A 51 -7.749 6.822 2.530 1.00 0.38 O ATOM 877 CB LEU A 51 -9.725 5.117 3.927 1.00 0.33 C ATOM 878 CG LEU A 51 -11.078 5.789 4.214 1.00 0.35 C ATOM 879 CD1 LEU A 51 -11.006 7.299 4.032 1.00 0.46 C ATOM 880 CD2 LEU A 51 -12.157 5.205 3.313 1.00 0.41 C ATOM 0 H LEU A 51 -7.729 3.786 2.980 1.00 0.30 H new ATOM 0 HA LEU A 51 -10.247 4.830 1.883 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -9.743 4.110 4.345 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -8.947 5.667 4.456 1.00 0.33 H new ATOM 0 HG LEU A 51 -11.331 5.591 5.255 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -11.981 7.738 4.244 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -10.265 7.713 4.716 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -10.720 7.529 3.006 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -13.110 5.689 3.526 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -11.890 5.373 2.270 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -12.245 4.134 3.497 1.00 0.41 H new ATOM 892 N SER A 52 -9.274 6.843 0.881 1.00 0.42 N ATOM 893 CA SER A 52 -8.772 8.059 0.278 1.00 0.53 C ATOM 894 C SER A 52 -9.500 9.264 0.843 1.00 0.61 C ATOM 895 O SER A 52 -10.672 9.503 0.545 1.00 0.93 O ATOM 896 CB SER A 52 -8.919 7.991 -1.241 1.00 0.67 C ATOM 897 OG SER A 52 -8.459 9.173 -1.873 1.00 1.28 O ATOM 0 H SER A 52 -10.080 6.439 0.405 1.00 0.42 H new ATOM 0 HA SER A 52 -7.713 8.163 0.514 1.00 0.53 H new ATOM 0 HB2 SER A 52 -8.360 7.136 -1.621 1.00 0.67 H new ATOM 0 HB3 SER A 52 -9.966 7.827 -1.497 1.00 0.67 H new ATOM 0 HG SER A 52 -8.569 9.089 -2.843 1.00 1.28 H new ATOM 903 N ASP A 53 -8.803 9.992 1.691 1.00 0.74 N ATOM 904 CA ASP A 53 -9.350 11.195 2.299 1.00 0.90 C ATOM 905 C ASP A 53 -9.069 12.387 1.399 1.00 1.04 C ATOM 906 O ASP A 53 -9.996 13.033 0.904 1.00 1.28 O ATOM 907 CB ASP A 53 -8.746 11.422 3.688 1.00 0.89 C ATOM 908 CG ASP A 53 -9.410 12.564 4.436 1.00 1.18 C ATOM 909 OD1 ASP A 53 -8.998 13.726 4.243 1.00 1.24 O ATOM 910 OD2 ASP A 53 -10.353 12.310 5.210 1.00 1.42 O ATOM 0 H ASP A 53 -7.849 9.772 1.979 1.00 0.74 H new ATOM 0 HA ASP A 53 -10.427 11.076 2.415 1.00 0.90 H new ATOM 0 HB2 ASP A 53 -8.838 10.507 4.274 1.00 0.89 H new ATOM 0 HB3 ASP A 53 -7.681 11.630 3.587 1.00 0.89 H new ATOM 915 N ASP A 54 -7.781 12.647 1.172 1.00 0.93 N ATOM 916 CA ASP A 54 -7.340 13.719 0.276 1.00 1.10 C ATOM 917 C ASP A 54 -5.816 13.777 0.226 1.00 1.02 C ATOM 918 O ASP A 54 -5.216 13.706 -0.846 1.00 1.22 O ATOM 919 CB ASP A 54 -7.894 15.077 0.711 1.00 1.26 C ATOM 920 CG ASP A 54 -7.525 16.184 -0.255 1.00 1.47 C ATOM 921 OD1 ASP A 54 -8.013 16.164 -1.406 1.00 1.73 O ATOM 922 OD2 ASP A 54 -6.746 17.078 0.136 1.00 1.45 O ATOM 0 H ASP A 54 -7.017 12.124 1.601 1.00 0.93 H new ATOM 0 HA ASP A 54 -7.727 13.496 -0.718 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -8.979 15.015 0.792 1.00 1.26 H new ATOM 0 HB3 ASP A 54 -7.514 15.321 1.703 1.00 1.26 H new ATOM 927 N ASP A 55 -5.197 13.908 1.391 1.00 0.87 N ATOM 928 CA ASP A 55 -3.744 13.902 1.490 1.00 0.94 C ATOM 929 C ASP A 55 -3.242 12.473 1.630 1.00 0.87 C ATOM 930 O ASP A 55 -3.915 11.632 2.230 1.00 0.71 O ATOM 931 CB ASP A 55 -3.258 14.715 2.697 1.00 0.99 C ATOM 932 CG ASP A 55 -3.594 16.188 2.615 1.00 1.39 C ATOM 933 OD1 ASP A 55 -3.044 16.886 1.742 1.00 1.58 O ATOM 934 OD2 ASP A 55 -4.393 16.666 3.448 1.00 1.79 O ATOM 0 H ASP A 55 -5.680 14.020 2.283 1.00 0.87 H new ATOM 0 HA ASP A 55 -3.351 14.357 0.581 1.00 0.94 H new ATOM 0 HB2 ASP A 55 -3.699 14.301 3.604 1.00 0.99 H new ATOM 0 HB3 ASP A 55 -2.178 14.603 2.788 1.00 0.99 H new ATOM 939 N PRO A 56 -2.049 12.183 1.092 1.00 1.06 N ATOM 940 CA PRO A 56 -1.425 10.860 1.206 1.00 1.08 C ATOM 941 C PRO A 56 -1.148 10.473 2.658 1.00 0.98 C ATOM 942 O PRO A 56 -0.994 9.295 2.978 1.00 0.97 O ATOM 943 CB PRO A 56 -0.107 11.009 0.434 1.00 1.35 C ATOM 944 CG PRO A 56 0.137 12.477 0.367 1.00 1.48 C ATOM 945 CD PRO A 56 -1.218 13.114 0.312 1.00 1.33 C ATOM 0 HA PRO A 56 -2.073 10.075 0.817 1.00 1.08 H new ATOM 0 HB2 PRO A 56 0.709 10.496 0.943 1.00 1.35 H new ATOM 0 HB3 PRO A 56 -0.183 10.576 -0.563 1.00 1.35 H new ATOM 0 HG2 PRO A 56 0.696 12.821 1.238 1.00 1.48 H new ATOM 0 HG3 PRO A 56 0.727 12.736 -0.512 1.00 1.48 H new ATOM 0 HD2 PRO A 56 -1.213 14.113 0.747 1.00 1.33 H new ATOM 0 HD3 PRO A 56 -1.576 13.214 -0.713 1.00 1.33 H new ATOM 953 N LYS A 57 -1.095 11.473 3.534 1.00 0.99 N ATOM 954 CA LYS A 57 -0.838 11.236 4.949 1.00 1.02 C ATOM 955 C LYS A 57 -2.098 10.741 5.650 1.00 0.82 C ATOM 956 O LYS A 57 -2.040 9.862 6.508 1.00 0.87 O ATOM 957 CB LYS A 57 -0.351 12.517 5.628 1.00 1.25 C ATOM 958 CG LYS A 57 0.793 13.207 4.902 1.00 1.51 C ATOM 959 CD LYS A 57 2.062 12.375 4.916 1.00 1.62 C ATOM 960 CE LYS A 57 2.636 12.240 6.320 1.00 2.08 C ATOM 961 NZ LYS A 57 2.976 13.559 6.919 1.00 2.93 N ATOM 0 H LYS A 57 -1.227 12.454 3.288 1.00 0.99 H new ATOM 0 HA LYS A 57 -0.064 10.472 5.025 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -1.187 13.212 5.711 1.00 1.25 H new ATOM 0 HB3 LYS A 57 -0.032 12.279 6.643 1.00 1.25 H new ATOM 0 HG2 LYS A 57 0.501 13.404 3.871 1.00 1.51 H new ATOM 0 HG3 LYS A 57 0.988 14.173 5.368 1.00 1.51 H new ATOM 0 HD2 LYS A 57 1.851 11.384 4.513 1.00 1.62 H new ATOM 0 HD3 LYS A 57 2.804 12.834 4.263 1.00 1.62 H new ATOM 0 HE2 LYS A 57 1.915 11.729 6.958 1.00 2.08 H new ATOM 0 HE3 LYS A 57 3.530 11.617 6.287 1.00 2.08 H new ATOM 0 HZ1 LYS A 57 3.919 13.510 7.355 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 2.975 14.288 6.177 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 2.272 13.803 7.644 1.00 2.93 H new ATOM 975 N LYS A 58 -3.240 11.313 5.277 1.00 0.69 N ATOM 976 CA LYS A 58 -4.515 10.930 5.877 1.00 0.65 C ATOM 977 C LYS A 58 -5.010 9.622 5.283 1.00 0.56 C ATOM 978 O LYS A 58 -5.855 8.945 5.866 1.00 0.63 O ATOM 979 CB LYS A 58 -5.575 12.015 5.683 1.00 0.73 C ATOM 980 CG LYS A 58 -5.372 13.245 6.551 1.00 0.94 C ATOM 981 CD LYS A 58 -4.351 14.203 5.960 1.00 1.24 C ATOM 982 CE LYS A 58 -4.324 15.512 6.725 1.00 1.55 C ATOM 983 NZ LYS A 58 -3.487 16.538 6.051 1.00 2.16 N ATOM 0 H LYS A 58 -3.309 12.040 4.565 1.00 0.69 H new ATOM 0 HA LYS A 58 -4.347 10.802 6.946 1.00 0.65 H new ATOM 0 HB2 LYS A 58 -5.580 12.319 4.636 1.00 0.73 H new ATOM 0 HB3 LYS A 58 -6.556 11.591 5.897 1.00 0.73 H new ATOM 0 HG2 LYS A 58 -6.324 13.762 6.674 1.00 0.94 H new ATOM 0 HG3 LYS A 58 -5.046 12.937 7.544 1.00 0.94 H new ATOM 0 HD2 LYS A 58 -3.362 13.745 5.982 1.00 1.24 H new ATOM 0 HD3 LYS A 58 -4.590 14.394 4.914 1.00 1.24 H new ATOM 0 HE2 LYS A 58 -5.341 15.889 6.833 1.00 1.55 H new ATOM 0 HE3 LYS A 58 -3.941 15.336 7.730 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 -3.484 17.410 6.617 1.00 2.16 H new ATOM 0 HZ2 LYS A 58 -2.514 16.184 5.955 1.00 2.16 H new ATOM 0 HZ3 LYS A 58 -3.877 16.739 5.108 1.00 2.16 H new ATOM 997 N GLY A 59 -4.494 9.294 4.108 1.00 0.54 N ATOM 998 CA GLY A 59 -4.809 8.028 3.484 1.00 0.59 C ATOM 999 C GLY A 59 -4.319 6.864 4.316 1.00 0.54 C ATOM 1000 O GLY A 59 -3.182 6.869 4.792 1.00 0.58 O ATOM 0 H GLY A 59 -3.859 9.887 3.574 1.00 0.54 H new ATOM 0 HA2 GLY A 59 -5.887 7.948 3.344 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -4.355 7.986 2.494 1.00 0.59 H new ATOM 1004 N ILE A 60 -5.162 5.855 4.477 1.00 0.49 N ATOM 1005 CA ILE A 60 -4.857 4.736 5.356 1.00 0.47 C ATOM 1006 C ILE A 60 -5.313 3.424 4.742 1.00 0.42 C ATOM 1007 O ILE A 60 -6.200 3.404 3.885 1.00 0.41 O ATOM 1008 CB ILE A 60 -5.530 4.888 6.740 1.00 0.51 C ATOM 1009 CG1 ILE A 60 -7.035 5.131 6.575 1.00 0.55 C ATOM 1010 CG2 ILE A 60 -4.883 6.012 7.538 1.00 0.60 C ATOM 1011 CD1 ILE A 60 -7.803 5.130 7.879 1.00 0.65 C ATOM 0 H ILE A 60 -6.066 5.788 4.009 1.00 0.49 H new ATOM 0 HA ILE A 60 -3.775 4.732 5.486 1.00 0.47 H new ATOM 0 HB ILE A 60 -5.389 3.961 7.296 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -7.186 6.089 6.077 1.00 0.55 H new ATOM 0 HG13 ILE A 60 -7.448 4.363 5.921 1.00 0.55 H new ATOM 0 HG21 ILE A 60 -5.374 6.099 8.507 1.00 0.60 H new ATOM 0 HG22 ILE A 60 -3.826 5.792 7.685 1.00 0.60 H new ATOM 0 HG23 ILE A 60 -4.986 6.951 6.994 1.00 0.60 H new ATOM 0 HD11 ILE A 60 -8.860 5.308 7.679 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -7.684 4.164 8.370 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -7.419 5.917 8.528 1.00 0.65 H new ATOM 1023 N TRP A 61 -4.708 2.334 5.184 1.00 0.42 N ATOM 1024 CA TRP A 61 -5.124 1.011 4.754 1.00 0.40 C ATOM 1025 C TRP A 61 -6.058 0.408 5.787 1.00 0.40 C ATOM 1026 O TRP A 61 -5.737 0.342 6.976 1.00 0.48 O ATOM 1027 CB TRP A 61 -3.919 0.098 4.514 1.00 0.44 C ATOM 1028 CG TRP A 61 -3.134 0.490 3.302 1.00 0.43 C ATOM 1029 CD1 TRP A 61 -2.003 1.242 3.269 1.00 0.48 C ATOM 1030 CD2 TRP A 61 -3.435 0.159 1.943 1.00 0.41 C ATOM 1031 NE1 TRP A 61 -1.587 1.414 1.973 1.00 0.49 N ATOM 1032 CE2 TRP A 61 -2.447 0.755 1.140 1.00 0.45 C ATOM 1033 CE3 TRP A 61 -4.444 -0.582 1.330 1.00 0.41 C ATOM 1034 CZ2 TRP A 61 -2.443 0.636 -0.245 1.00 0.48 C ATOM 1035 CZ3 TRP A 61 -4.440 -0.701 -0.045 1.00 0.45 C ATOM 1036 CH2 TRP A 61 -3.445 -0.094 -0.819 1.00 0.48 C ATOM 0 H TRP A 61 -3.927 2.340 5.840 1.00 0.42 H new ATOM 0 HA TRP A 61 -5.654 1.106 3.806 1.00 0.40 H new ATOM 0 HB2 TRP A 61 -3.268 0.124 5.388 1.00 0.44 H new ATOM 0 HB3 TRP A 61 -4.263 -0.930 4.403 1.00 0.44 H new ATOM 0 HD1 TRP A 61 -1.504 1.646 4.137 1.00 0.48 H new ATOM 0 HE1 TRP A 61 -0.769 1.947 1.679 1.00 0.49 H new ATOM 0 HE3 TRP A 61 -5.215 -1.055 1.920 1.00 0.41 H new ATOM 0 HZ2 TRP A 61 -1.676 1.103 -0.845 1.00 0.48 H new ATOM 0 HZ3 TRP A 61 -5.217 -1.272 -0.531 1.00 0.45 H new ATOM 0 HH2 TRP A 61 -3.470 -0.205 -1.893 1.00 0.48 H new ATOM 1047 N LEU A 62 -7.221 -0.005 5.330 1.00 0.36 N ATOM 1048 CA LEU A 62 -8.238 -0.551 6.203 1.00 0.37 C ATOM 1049 C LEU A 62 -7.973 -2.027 6.459 1.00 0.42 C ATOM 1050 O LEU A 62 -7.962 -2.830 5.529 1.00 0.43 O ATOM 1051 CB LEU A 62 -9.616 -0.370 5.561 1.00 0.33 C ATOM 1052 CG LEU A 62 -9.958 1.059 5.136 1.00 0.31 C ATOM 1053 CD1 LEU A 62 -11.261 1.087 4.360 1.00 0.29 C ATOM 1054 CD2 LEU A 62 -10.054 1.967 6.345 1.00 0.35 C ATOM 0 H LEU A 62 -7.488 0.028 4.346 1.00 0.36 H new ATOM 0 HA LEU A 62 -8.212 -0.022 7.156 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -9.678 -1.016 4.685 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -10.374 -0.713 6.265 1.00 0.33 H new ATOM 0 HG LEU A 62 -9.158 1.421 4.490 1.00 0.31 H new ATOM 0 HD11 LEU A 62 -11.488 2.112 4.066 1.00 0.29 H new ATOM 0 HD12 LEU A 62 -11.167 0.466 3.469 1.00 0.29 H new ATOM 0 HD13 LEU A 62 -12.066 0.703 4.987 1.00 0.29 H new ATOM 0 HD21 LEU A 62 -10.298 2.979 6.022 1.00 0.35 H new ATOM 0 HD22 LEU A 62 -10.834 1.602 7.013 1.00 0.35 H new ATOM 0 HD23 LEU A 62 -9.099 1.975 6.871 1.00 0.35 H new ATOM 1066 N GLU A 63 -7.734 -2.386 7.712 1.00 0.48 N ATOM 1067 CA GLU A 63 -7.522 -3.780 8.070 1.00 0.55 C ATOM 1068 C GLU A 63 -8.858 -4.478 8.302 1.00 0.52 C ATOM 1069 O GLU A 63 -9.872 -3.829 8.575 1.00 0.48 O ATOM 1070 CB GLU A 63 -6.640 -3.880 9.317 1.00 0.65 C ATOM 1071 CG GLU A 63 -7.246 -3.242 10.558 1.00 0.68 C ATOM 1072 CD GLU A 63 -6.286 -3.237 11.728 1.00 1.07 C ATOM 1073 OE1 GLU A 63 -5.449 -2.316 11.806 1.00 1.30 O ATOM 1074 OE2 GLU A 63 -6.356 -4.155 12.567 1.00 1.42 O ATOM 0 H GLU A 63 -7.682 -1.734 8.495 1.00 0.48 H new ATOM 0 HA GLU A 63 -7.012 -4.278 7.245 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -6.439 -4.931 9.523 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -5.681 -3.406 9.109 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -7.542 -2.218 10.330 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -8.151 -3.782 10.836 1.00 0.68 H new ATOM 1081 N ALA A 64 -8.855 -5.798 8.208 1.00 0.58 N ATOM 1082 CA ALA A 64 -10.084 -6.577 8.320 1.00 0.58 C ATOM 1083 C ALA A 64 -10.516 -6.738 9.773 1.00 0.60 C ATOM 1084 O ALA A 64 -11.576 -7.294 10.051 1.00 0.65 O ATOM 1085 CB ALA A 64 -9.904 -7.936 7.663 1.00 0.64 C ATOM 0 H ALA A 64 -8.015 -6.356 8.054 1.00 0.58 H new ATOM 0 HA ALA A 64 -10.874 -6.034 7.802 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -10.827 -8.509 7.753 1.00 0.64 H new ATOM 0 HB2 ALA A 64 -9.661 -7.801 6.609 1.00 0.64 H new ATOM 0 HB3 ALA A 64 -9.094 -8.474 8.156 1.00 0.64 H new ATOM 1091 N GLY A 65 -9.702 -6.232 10.687 1.00 0.64 N ATOM 1092 CA GLY A 65 -9.987 -6.372 12.103 1.00 0.70 C ATOM 1093 C GLY A 65 -10.990 -5.356 12.611 1.00 0.70 C ATOM 1094 O GLY A 65 -11.546 -5.520 13.699 1.00 0.84 O ATOM 0 H GLY A 65 -8.844 -5.724 10.473 1.00 0.64 H new ATOM 0 HA2 GLY A 65 -10.367 -7.376 12.293 1.00 0.70 H new ATOM 0 HA3 GLY A 65 -9.059 -6.271 12.666 1.00 0.70 H new ATOM 1098 N LYS A 66 -11.233 -4.306 11.838 1.00 0.60 N ATOM 1099 CA LYS A 66 -12.202 -3.294 12.239 1.00 0.61 C ATOM 1100 C LYS A 66 -13.242 -3.097 11.140 1.00 0.54 C ATOM 1101 O LYS A 66 -13.017 -3.473 9.981 1.00 0.47 O ATOM 1102 CB LYS A 66 -11.515 -1.958 12.573 1.00 0.66 C ATOM 1103 CG LYS A 66 -11.474 -0.966 11.421 1.00 0.60 C ATOM 1104 CD LYS A 66 -10.480 -1.356 10.342 1.00 0.56 C ATOM 1105 CE LYS A 66 -10.804 -0.670 9.022 1.00 0.61 C ATOM 1106 NZ LYS A 66 -12.095 -1.142 8.465 1.00 1.29 N ATOM 0 H LYS A 66 -10.779 -4.133 10.941 1.00 0.60 H new ATOM 0 HA LYS A 66 -12.701 -3.645 13.142 1.00 0.61 H new ATOM 0 HB2 LYS A 66 -12.033 -1.498 13.414 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -10.495 -2.160 12.899 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -12.468 -0.886 10.981 1.00 0.60 H new ATOM 0 HG3 LYS A 66 -11.216 0.020 11.806 1.00 0.60 H new ATOM 0 HD2 LYS A 66 -9.472 -1.086 10.657 1.00 0.56 H new ATOM 0 HD3 LYS A 66 -10.493 -2.437 10.206 1.00 0.56 H new ATOM 0 HE2 LYS A 66 -10.844 0.409 9.172 1.00 0.61 H new ATOM 0 HE3 LYS A 66 -10.006 -0.863 8.305 1.00 0.61 H new ATOM 0 HZ1 LYS A 66 -12.071 -1.074 7.427 1.00 1.29 H new ATOM 0 HZ2 LYS A 66 -12.252 -2.132 8.744 1.00 1.29 H new ATOM 0 HZ3 LYS A 66 -12.868 -0.552 8.833 1.00 1.29 H new ATOM 1120 N ALA A 67 -14.357 -2.477 11.487 1.00 0.57 N ATOM 1121 CA ALA A 67 -15.427 -2.265 10.536 1.00 0.52 C ATOM 1122 C ALA A 67 -15.161 -0.998 9.740 1.00 0.47 C ATOM 1123 O ALA A 67 -14.179 -0.298 9.984 1.00 0.47 O ATOM 1124 CB ALA A 67 -16.765 -2.197 11.252 1.00 0.59 C ATOM 0 H ALA A 67 -14.542 -2.113 12.422 1.00 0.57 H new ATOM 0 HA ALA A 67 -15.466 -3.105 9.842 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -17.560 -2.037 10.523 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -16.942 -3.133 11.783 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -16.755 -1.372 11.965 1.00 0.59 H new ATOM 1130 N LEU A 68 -16.009 -0.710 8.776 1.00 0.45 N ATOM 1131 CA LEU A 68 -15.796 0.440 7.913 1.00 0.40 C ATOM 1132 C LEU A 68 -16.337 1.702 8.570 1.00 0.43 C ATOM 1133 O LEU A 68 -15.628 2.693 8.731 1.00 0.44 O ATOM 1134 CB LEU A 68 -16.478 0.222 6.569 1.00 0.37 C ATOM 1135 CG LEU A 68 -16.034 -1.028 5.804 1.00 0.36 C ATOM 1136 CD1 LEU A 68 -16.842 -1.187 4.526 1.00 0.36 C ATOM 1137 CD2 LEU A 68 -14.550 -0.955 5.490 1.00 0.37 C ATOM 0 H LEU A 68 -16.849 -1.251 8.568 1.00 0.45 H new ATOM 0 HA LEU A 68 -14.725 0.559 7.752 1.00 0.40 H new ATOM 0 HB2 LEU A 68 -17.554 0.165 6.732 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -16.296 1.095 5.942 1.00 0.37 H new ATOM 0 HG LEU A 68 -16.213 -1.900 6.433 1.00 0.36 H new ATOM 0 HD11 LEU A 68 -16.512 -2.081 3.996 1.00 0.36 H new ATOM 0 HD12 LEU A 68 -17.899 -1.281 4.773 1.00 0.36 H new ATOM 0 HD13 LEU A 68 -16.694 -0.313 3.891 1.00 0.36 H new ATOM 0 HD21 LEU A 68 -14.249 -1.850 4.946 1.00 0.37 H new ATOM 0 HD22 LEU A 68 -14.350 -0.075 4.879 1.00 0.37 H new ATOM 0 HD23 LEU A 68 -13.984 -0.888 6.419 1.00 0.37 H new ATOM 1149 N ASP A 69 -17.589 1.617 8.981 1.00 0.47 N ATOM 1150 CA ASP A 69 -18.310 2.732 9.599 1.00 0.52 C ATOM 1151 C ASP A 69 -17.694 3.090 10.943 1.00 0.58 C ATOM 1152 O ASP A 69 -17.880 4.195 11.452 1.00 0.65 O ATOM 1153 CB ASP A 69 -19.789 2.352 9.766 1.00 0.58 C ATOM 1154 CG ASP A 69 -20.595 3.339 10.596 1.00 0.86 C ATOM 1155 OD1 ASP A 69 -21.177 4.283 10.019 1.00 1.14 O ATOM 1156 OD2 ASP A 69 -20.679 3.152 11.829 1.00 1.16 O ATOM 0 H ASP A 69 -18.146 0.767 8.898 1.00 0.47 H new ATOM 0 HA ASP A 69 -18.236 3.607 8.954 1.00 0.52 H new ATOM 0 HB2 ASP A 69 -20.244 2.267 8.779 1.00 0.58 H new ATOM 0 HB3 ASP A 69 -19.850 1.368 10.231 1.00 0.58 H new ATOM 1161 N TYR A 70 -16.952 2.144 11.509 1.00 0.59 N ATOM 1162 CA TYR A 70 -16.211 2.375 12.729 1.00 0.65 C ATOM 1163 C TYR A 70 -15.239 3.542 12.537 1.00 0.62 C ATOM 1164 O TYR A 70 -15.002 4.329 13.456 1.00 0.67 O ATOM 1165 CB TYR A 70 -15.480 1.085 13.127 1.00 0.69 C ATOM 1166 CG TYR A 70 -14.387 1.282 14.144 1.00 0.81 C ATOM 1167 CD1 TYR A 70 -14.695 1.403 15.489 1.00 1.02 C ATOM 1168 CD2 TYR A 70 -13.057 1.349 13.762 1.00 0.84 C ATOM 1169 CE1 TYR A 70 -13.707 1.585 16.430 1.00 1.21 C ATOM 1170 CE2 TYR A 70 -12.059 1.531 14.697 1.00 1.05 C ATOM 1171 CZ TYR A 70 -12.361 1.640 16.004 1.00 1.22 C ATOM 1172 OH TYR A 70 -11.397 1.830 16.968 1.00 1.45 O ATOM 0 H TYR A 70 -16.852 1.202 11.132 1.00 0.59 H new ATOM 0 HA TYR A 70 -16.892 2.645 13.536 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -16.207 0.377 13.525 1.00 0.69 H new ATOM 0 HB3 TYR A 70 -15.051 0.633 12.233 1.00 0.69 H new ATOM 0 HD1 TYR A 70 -15.727 1.354 15.804 1.00 1.02 H new ATOM 0 HD2 TYR A 70 -12.798 1.257 12.718 1.00 0.84 H new ATOM 0 HE1 TYR A 70 -13.956 1.684 17.476 1.00 1.21 H new ATOM 0 HE2 TYR A 70 -11.029 1.586 14.378 1.00 1.05 H new ATOM 0 HH TYR A 70 -10.512 1.848 16.547 1.00 1.45 H new ATOM 1182 N TYR A 71 -14.673 3.636 11.339 1.00 0.57 N ATOM 1183 CA TYR A 71 -13.829 4.763 10.967 1.00 0.58 C ATOM 1184 C TYR A 71 -14.653 5.972 10.532 1.00 0.60 C ATOM 1185 O TYR A 71 -15.829 6.096 10.866 1.00 0.69 O ATOM 1186 CB TYR A 71 -12.854 4.362 9.863 1.00 0.56 C ATOM 1187 CG TYR A 71 -11.534 3.878 10.404 1.00 0.56 C ATOM 1188 CD1 TYR A 71 -10.502 4.774 10.652 1.00 0.58 C ATOM 1189 CD2 TYR A 71 -11.324 2.538 10.682 1.00 0.62 C ATOM 1190 CE1 TYR A 71 -9.294 4.346 11.164 1.00 0.63 C ATOM 1191 CE2 TYR A 71 -10.115 2.102 11.192 1.00 0.66 C ATOM 1192 CZ TYR A 71 -9.105 3.009 11.431 1.00 0.65 C ATOM 1193 OH TYR A 71 -7.905 2.578 11.947 1.00 0.72 O ATOM 0 H TYR A 71 -14.786 2.938 10.604 1.00 0.57 H new ATOM 0 HA TYR A 71 -13.263 5.051 11.853 1.00 0.58 H new ATOM 0 HB2 TYR A 71 -13.303 3.577 9.254 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -12.683 5.215 9.207 1.00 0.56 H new ATOM 0 HD1 TYR A 71 -10.647 5.823 10.441 1.00 0.58 H new ATOM 0 HD2 TYR A 71 -12.114 1.825 10.498 1.00 0.62 H new ATOM 0 HE1 TYR A 71 -8.502 5.055 11.354 1.00 0.63 H new ATOM 0 HE2 TYR A 71 -9.962 1.054 11.402 1.00 0.66 H new ATOM 0 HH TYR A 71 -7.935 1.607 12.079 1.00 0.72 H new ATOM 1203 N MET A 72 -14.022 6.852 9.768 1.00 0.60 N ATOM 1204 CA MET A 72 -14.645 8.097 9.327 1.00 0.69 C ATOM 1205 C MET A 72 -15.414 7.908 8.022 1.00 0.63 C ATOM 1206 O MET A 72 -15.439 8.807 7.184 1.00 0.75 O ATOM 1207 CB MET A 72 -13.569 9.166 9.118 1.00 0.83 C ATOM 1208 CG MET A 72 -12.780 9.510 10.368 1.00 1.02 C ATOM 1209 SD MET A 72 -11.425 10.657 10.039 1.00 1.73 S ATOM 1210 CE MET A 72 -12.323 12.059 9.376 1.00 2.38 C ATOM 0 H MET A 72 -13.066 6.726 9.436 1.00 0.60 H new ATOM 0 HA MET A 72 -15.347 8.409 10.100 1.00 0.69 H new ATOM 0 HB2 MET A 72 -12.877 8.823 8.349 1.00 0.83 H new ATOM 0 HB3 MET A 72 -14.042 10.072 8.740 1.00 0.83 H new ATOM 0 HG2 MET A 72 -13.450 9.948 11.108 1.00 1.02 H new ATOM 0 HG3 MET A 72 -12.379 8.595 10.804 1.00 1.02 H new ATOM 0 HE1 MET A 72 -11.688 12.945 9.406 1.00 2.38 H new ATOM 0 HE2 MET A 72 -12.610 11.853 8.345 1.00 2.38 H new ATOM 0 HE3 MET A 72 -13.218 12.234 9.974 1.00 2.38 H new ATOM 1220 N LEU A 73 -16.048 6.754 7.841 1.00 0.56 N ATOM 1221 CA LEU A 73 -16.746 6.485 6.585 1.00 0.54 C ATOM 1222 C LEU A 73 -18.234 6.475 6.792 1.00 0.50 C ATOM 1223 O LEU A 73 -18.733 6.105 7.856 1.00 0.60 O ATOM 1224 CB LEU A 73 -16.342 5.152 5.939 1.00 0.71 C ATOM 1225 CG LEU A 73 -15.008 4.544 6.371 1.00 0.43 C ATOM 1226 CD1 LEU A 73 -14.722 3.291 5.561 1.00 0.88 C ATOM 1227 CD2 LEU A 73 -13.878 5.538 6.213 1.00 0.88 C ATOM 0 H LEU A 73 -16.094 6.004 8.530 1.00 0.56 H new ATOM 0 HA LEU A 73 -16.454 7.292 5.912 1.00 0.54 H new ATOM 0 HB2 LEU A 73 -17.127 4.425 6.145 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -16.315 5.294 4.859 1.00 0.71 H new ATOM 0 HG LEU A 73 -15.079 4.280 7.426 1.00 0.43 H new ATOM 0 HD11 LEU A 73 -13.770 2.864 5.875 1.00 0.88 H new ATOM 0 HD12 LEU A 73 -15.517 2.563 5.724 1.00 0.88 H new ATOM 0 HD13 LEU A 73 -14.674 3.545 4.502 1.00 0.88 H new ATOM 0 HD21 LEU A 73 -12.942 5.077 6.528 1.00 0.88 H new ATOM 0 HD22 LEU A 73 -13.801 5.838 5.168 1.00 0.88 H new ATOM 0 HD23 LEU A 73 -14.076 6.415 6.829 1.00 0.88 H new ATOM 1239 N ARG A 74 -18.925 6.883 5.754 1.00 0.48 N ATOM 1240 CA ARG A 74 -20.365 6.891 5.737 1.00 0.52 C ATOM 1241 C ARG A 74 -20.843 7.137 4.316 1.00 0.46 C ATOM 1242 O ARG A 74 -20.051 7.098 3.372 1.00 0.45 O ATOM 1243 CB ARG A 74 -20.906 7.956 6.698 1.00 0.65 C ATOM 1244 CG ARG A 74 -20.521 9.370 6.338 1.00 1.17 C ATOM 1245 CD ARG A 74 -20.952 10.336 7.418 1.00 1.64 C ATOM 1246 NE ARG A 74 -19.919 10.517 8.435 1.00 2.05 N ATOM 1247 CZ ARG A 74 -20.151 10.999 9.654 1.00 2.72 C ATOM 1248 NH1 ARG A 74 -21.383 11.353 10.006 1.00 2.96 N ATOM 1249 NH2 ARG A 74 -19.155 11.134 10.520 1.00 3.29 N ATOM 0 H ARG A 74 -18.498 7.221 4.891 1.00 0.48 H new ATOM 0 HA ARG A 74 -20.742 5.925 6.074 1.00 0.52 H new ATOM 0 HB2 ARG A 74 -21.993 7.884 6.727 1.00 0.65 H new ATOM 0 HB3 ARG A 74 -20.545 7.738 7.703 1.00 0.65 H new ATOM 0 HG2 ARG A 74 -19.442 9.433 6.197 1.00 1.17 H new ATOM 0 HG3 ARG A 74 -20.983 9.647 5.390 1.00 1.17 H new ATOM 0 HD2 ARG A 74 -21.191 11.300 6.968 1.00 1.64 H new ATOM 0 HD3 ARG A 74 -21.864 9.970 7.889 1.00 1.64 H new ATOM 0 HE ARG A 74 -18.962 10.258 8.197 1.00 2.05 H new ATOM 0 HH11 ARG A 74 -22.151 11.255 9.342 1.00 2.96 H new ATOM 0 HH12 ARG A 74 -21.560 11.722 10.940 1.00 2.96 H new ATOM 0 HH21 ARG A 74 -18.207 10.868 10.253 1.00 3.29 H new ATOM 0 HH22 ARG A 74 -19.337 11.504 11.453 1.00 3.29 H new ATOM 1263 N ASN A 75 -22.127 7.384 4.174 1.00 0.49 N ATOM 1264 CA ASN A 75 -22.738 7.604 2.867 1.00 0.47 C ATOM 1265 C ASN A 75 -22.120 8.801 2.163 1.00 0.48 C ATOM 1266 O ASN A 75 -22.323 9.945 2.568 1.00 0.56 O ATOM 1267 CB ASN A 75 -24.248 7.803 3.011 1.00 0.52 C ATOM 1268 CG ASN A 75 -24.999 6.491 3.077 1.00 0.52 C ATOM 1269 OD1 ASN A 75 -25.488 5.995 2.069 1.00 0.72 O ATOM 1270 ND2 ASN A 75 -25.083 5.905 4.254 1.00 0.51 N ATOM 0 H ASN A 75 -22.781 7.439 4.955 1.00 0.49 H new ATOM 0 HA ASN A 75 -22.551 6.719 2.259 1.00 0.47 H new ATOM 0 HB2 ASN A 75 -24.451 8.381 3.913 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -24.617 8.388 2.168 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -25.566 5.011 4.345 1.00 0.51 H new ATOM 0 HD22 ASN A 75 -24.665 6.345 5.074 1.00 0.51 H new ATOM 1277 N GLY A 76 -21.347 8.528 1.122 1.00 0.45 N ATOM 1278 CA GLY A 76 -20.743 9.589 0.349 1.00 0.51 C ATOM 1279 C GLY A 76 -19.231 9.503 0.307 1.00 0.47 C ATOM 1280 O GLY A 76 -18.607 10.010 -0.626 1.00 0.55 O ATOM 0 H GLY A 76 -21.128 7.586 0.799 1.00 0.45 H new ATOM 0 HA2 GLY A 76 -21.132 9.556 -0.669 1.00 0.51 H new ATOM 0 HA3 GLY A 76 -21.035 10.550 0.771 1.00 0.51 H new ATOM 1284 N ASP A 77 -18.634 8.851 1.301 1.00 0.42 N ATOM 1285 CA ASP A 77 -17.183 8.797 1.406 1.00 0.42 C ATOM 1286 C ASP A 77 -16.583 7.915 0.326 1.00 0.38 C ATOM 1287 O ASP A 77 -17.184 6.922 -0.093 1.00 0.40 O ATOM 1288 CB ASP A 77 -16.758 8.300 2.787 1.00 0.44 C ATOM 1289 CG ASP A 77 -17.036 9.319 3.868 1.00 0.74 C ATOM 1290 OD1 ASP A 77 -18.162 9.333 4.400 1.00 1.00 O ATOM 1291 OD2 ASP A 77 -16.127 10.100 4.204 1.00 1.05 O ATOM 0 H ASP A 77 -19.132 8.356 2.041 1.00 0.42 H new ATOM 0 HA ASP A 77 -16.806 9.810 1.266 1.00 0.42 H new ATOM 0 HB2 ASP A 77 -17.286 7.375 3.017 1.00 0.44 H new ATOM 0 HB3 ASP A 77 -15.694 8.065 2.776 1.00 0.44 H new ATOM 1296 N THR A 78 -15.404 8.295 -0.138 1.00 0.36 N ATOM 1297 CA THR A 78 -14.708 7.545 -1.160 1.00 0.35 C ATOM 1298 C THR A 78 -13.775 6.514 -0.531 1.00 0.31 C ATOM 1299 O THR A 78 -12.932 6.849 0.305 1.00 0.34 O ATOM 1300 CB THR A 78 -13.897 8.493 -2.066 1.00 0.42 C ATOM 1301 OG1 THR A 78 -14.749 9.537 -2.557 1.00 0.50 O ATOM 1302 CG2 THR A 78 -13.279 7.746 -3.240 1.00 0.42 C ATOM 0 H THR A 78 -14.909 9.127 0.183 1.00 0.36 H new ATOM 0 HA THR A 78 -15.453 7.025 -1.763 1.00 0.35 H new ATOM 0 HB THR A 78 -13.089 8.920 -1.471 1.00 0.42 H new ATOM 0 HG1 THR A 78 -14.231 10.139 -3.131 1.00 0.50 H new ATOM 0 HG21 THR A 78 -12.714 8.444 -3.859 1.00 0.42 H new ATOM 0 HG22 THR A 78 -12.611 6.970 -2.866 1.00 0.42 H new ATOM 0 HG23 THR A 78 -14.068 7.289 -3.837 1.00 0.42 H new ATOM 1310 N MET A 79 -13.921 5.264 -0.937 1.00 0.27 N ATOM 1311 CA MET A 79 -13.066 4.199 -0.453 1.00 0.27 C ATOM 1312 C MET A 79 -12.419 3.523 -1.647 1.00 0.28 C ATOM 1313 O MET A 79 -13.090 2.892 -2.460 1.00 0.27 O ATOM 1314 CB MET A 79 -13.853 3.181 0.372 1.00 0.23 C ATOM 1315 CG MET A 79 -12.962 2.291 1.227 1.00 0.27 C ATOM 1316 SD MET A 79 -13.879 1.013 2.107 1.00 0.65 S ATOM 1317 CE MET A 79 -14.323 -0.065 0.752 1.00 0.24 C ATOM 0 H MET A 79 -14.630 4.963 -1.606 1.00 0.27 H new ATOM 0 HA MET A 79 -12.303 4.622 0.201 1.00 0.27 H new ATOM 0 HB2 MET A 79 -14.555 3.709 1.017 1.00 0.23 H new ATOM 0 HB3 MET A 79 -14.444 2.557 -0.299 1.00 0.23 H new ATOM 0 HG2 MET A 79 -12.212 1.820 0.592 1.00 0.27 H new ATOM 0 HG3 MET A 79 -12.427 2.908 1.948 1.00 0.27 H new ATOM 0 HE1 MET A 79 -14.259 -1.103 1.077 1.00 0.24 H new ATOM 0 HE2 MET A 79 -15.342 0.153 0.432 1.00 0.24 H new ATOM 0 HE3 MET A 79 -13.639 0.097 -0.081 1.00 0.24 H new ATOM 1327 N GLU A 80 -11.120 3.678 -1.755 1.00 0.32 N ATOM 1328 CA GLU A 80 -10.396 3.217 -2.920 1.00 0.35 C ATOM 1329 C GLU A 80 -10.086 1.731 -2.787 1.00 0.33 C ATOM 1330 O GLU A 80 -9.496 1.303 -1.793 1.00 0.33 O ATOM 1331 CB GLU A 80 -9.102 4.026 -3.049 1.00 0.40 C ATOM 1332 CG GLU A 80 -8.510 4.045 -4.444 1.00 0.53 C ATOM 1333 CD GLU A 80 -7.351 5.011 -4.561 1.00 0.69 C ATOM 1334 OE1 GLU A 80 -7.584 6.233 -4.537 1.00 1.04 O ATOM 1335 OE2 GLU A 80 -6.196 4.552 -4.665 1.00 1.04 O ATOM 0 H GLU A 80 -10.538 4.123 -1.045 1.00 0.32 H new ATOM 0 HA GLU A 80 -11.003 3.359 -3.814 1.00 0.35 H new ATOM 0 HB2 GLU A 80 -9.297 5.052 -2.737 1.00 0.40 H new ATOM 0 HB3 GLU A 80 -8.363 3.618 -2.360 1.00 0.40 H new ATOM 0 HG2 GLU A 80 -8.173 3.042 -4.707 1.00 0.53 H new ATOM 0 HG3 GLU A 80 -9.283 4.320 -5.161 1.00 0.53 H new ATOM 1342 N TYR A 81 -10.472 0.941 -3.778 1.00 0.33 N ATOM 1343 CA TYR A 81 -10.097 -0.457 -3.805 1.00 0.33 C ATOM 1344 C TYR A 81 -8.902 -0.591 -4.718 1.00 0.36 C ATOM 1345 O TYR A 81 -9.025 -0.547 -5.941 1.00 0.39 O ATOM 1346 CB TYR A 81 -11.248 -1.341 -4.300 1.00 0.33 C ATOM 1347 CG TYR A 81 -10.991 -2.829 -4.147 1.00 0.33 C ATOM 1348 CD1 TYR A 81 -10.370 -3.563 -5.152 1.00 0.37 C ATOM 1349 CD2 TYR A 81 -11.376 -3.500 -2.995 1.00 0.34 C ATOM 1350 CE1 TYR A 81 -10.140 -4.920 -5.006 1.00 0.39 C ATOM 1351 CE2 TYR A 81 -11.151 -4.855 -2.844 1.00 0.36 C ATOM 1352 CZ TYR A 81 -10.532 -5.559 -3.850 1.00 0.38 C ATOM 1353 OH TYR A 81 -10.303 -6.910 -3.700 1.00 0.42 O ATOM 0 H TYR A 81 -11.041 1.246 -4.568 1.00 0.33 H new ATOM 0 HA TYR A 81 -9.855 -0.791 -2.796 1.00 0.33 H new ATOM 0 HB2 TYR A 81 -12.154 -1.081 -3.753 1.00 0.33 H new ATOM 0 HB3 TYR A 81 -11.436 -1.121 -5.351 1.00 0.33 H new ATOM 0 HD1 TYR A 81 -10.062 -3.066 -6.060 1.00 0.37 H new ATOM 0 HD2 TYR A 81 -11.861 -2.952 -2.201 1.00 0.34 H new ATOM 0 HE1 TYR A 81 -9.655 -5.476 -5.795 1.00 0.39 H new ATOM 0 HE2 TYR A 81 -11.460 -5.359 -1.940 1.00 0.36 H new ATOM 0 HH TYR A 81 -10.625 -7.201 -2.821 1.00 0.42 H new ATOM 1363 N ARG A 82 -7.747 -0.717 -4.119 1.00 0.37 N ATOM 1364 CA ARG A 82 -6.516 -0.682 -4.875 1.00 0.39 C ATOM 1365 C ARG A 82 -5.592 -1.793 -4.442 1.00 0.40 C ATOM 1366 O ARG A 82 -5.817 -2.445 -3.420 1.00 0.42 O ATOM 1367 CB ARG A 82 -5.822 0.674 -4.726 1.00 0.42 C ATOM 1368 CG ARG A 82 -5.521 1.055 -3.288 1.00 0.44 C ATOM 1369 CD ARG A 82 -4.767 2.369 -3.209 1.00 0.56 C ATOM 1370 NE ARG A 82 -3.442 2.290 -3.821 1.00 0.65 N ATOM 1371 CZ ARG A 82 -2.867 3.304 -4.470 1.00 0.88 C ATOM 1372 NH1 ARG A 82 -3.549 4.417 -4.710 1.00 1.08 N ATOM 1373 NH2 ARG A 82 -1.626 3.191 -4.919 1.00 1.03 N ATOM 0 H ARG A 82 -7.629 -0.844 -3.114 1.00 0.37 H new ATOM 0 HA ARG A 82 -6.764 -0.827 -5.926 1.00 0.39 H new ATOM 0 HB2 ARG A 82 -4.890 0.658 -5.290 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -6.451 1.444 -5.172 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -6.453 1.135 -2.729 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -4.933 0.267 -2.817 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -5.347 3.148 -3.704 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -4.665 2.664 -2.165 1.00 0.56 H new ATOM 0 HE ARG A 82 -2.929 1.412 -3.748 1.00 0.65 H new ATOM 0 HH11 ARG A 82 -4.517 4.500 -4.398 1.00 1.08 H new ATOM 0 HH12 ARG A 82 -3.106 5.190 -5.206 1.00 1.08 H new ATOM 0 HH21 ARG A 82 -1.106 2.326 -4.769 1.00 1.03 H new ATOM 0 HH22 ARG A 82 -1.190 3.969 -5.415 1.00 1.03 H new ATOM 1387 N LYS A 83 -4.554 -2.007 -5.224 1.00 0.43 N ATOM 1388 CA LYS A 83 -3.535 -2.967 -4.876 1.00 0.45 C ATOM 1389 C LYS A 83 -2.807 -2.472 -3.636 1.00 0.42 C ATOM 1390 O LYS A 83 -2.416 -1.305 -3.573 1.00 0.42 O ATOM 1391 CB LYS A 83 -2.575 -3.136 -6.055 1.00 0.53 C ATOM 1392 CG LYS A 83 -1.611 -4.297 -5.915 1.00 0.60 C ATOM 1393 CD LYS A 83 -0.911 -4.578 -7.230 1.00 0.70 C ATOM 1394 CE LYS A 83 0.089 -5.710 -7.101 1.00 1.25 C ATOM 1395 NZ LYS A 83 0.703 -6.055 -8.410 1.00 1.74 N ATOM 0 H LYS A 83 -4.396 -1.525 -6.109 1.00 0.43 H new ATOM 0 HA LYS A 83 -3.977 -3.940 -4.659 1.00 0.45 H new ATOM 0 HB2 LYS A 83 -3.158 -3.271 -6.966 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -2.002 -2.217 -6.176 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -0.872 -4.071 -5.146 1.00 0.60 H new ATOM 0 HG3 LYS A 83 -2.150 -5.186 -5.588 1.00 0.60 H new ATOM 0 HD2 LYS A 83 -1.651 -4.831 -7.990 1.00 0.70 H new ATOM 0 HD3 LYS A 83 -0.400 -3.677 -7.570 1.00 0.70 H new ATOM 0 HE2 LYS A 83 0.871 -5.426 -6.396 1.00 1.25 H new ATOM 0 HE3 LYS A 83 -0.408 -6.589 -6.689 1.00 1.25 H new ATOM 0 HZ1 LYS A 83 1.192 -6.970 -8.334 1.00 1.74 H new ATOM 0 HZ2 LYS A 83 -0.039 -6.119 -9.136 1.00 1.74 H new ATOM 0 HZ3 LYS A 83 1.386 -5.318 -8.678 1.00 1.74 H new ATOM 1409 N LYS A 84 -2.660 -3.343 -2.640 1.00 0.44 N ATOM 1410 CA LYS A 84 -2.013 -2.961 -1.392 1.00 0.46 C ATOM 1411 C LYS A 84 -0.581 -2.549 -1.650 1.00 0.46 C ATOM 1412 O LYS A 84 -0.003 -1.770 -0.899 1.00 0.52 O ATOM 1413 CB LYS A 84 -2.028 -4.092 -0.361 1.00 0.54 C ATOM 1414 CG LYS A 84 -3.399 -4.423 0.201 1.00 0.55 C ATOM 1415 CD LYS A 84 -3.277 -5.019 1.596 1.00 0.66 C ATOM 1416 CE LYS A 84 -4.590 -5.614 2.083 1.00 0.67 C ATOM 1417 NZ LYS A 84 -5.004 -6.799 1.283 1.00 1.32 N ATOM 0 H LYS A 84 -2.979 -4.311 -2.674 1.00 0.44 H new ATOM 0 HA LYS A 84 -2.580 -2.123 -0.985 1.00 0.46 H new ATOM 0 HB2 LYS A 84 -1.613 -4.989 -0.820 1.00 0.54 H new ATOM 0 HB3 LYS A 84 -1.368 -3.822 0.464 1.00 0.54 H new ATOM 0 HG2 LYS A 84 -4.010 -3.521 0.237 1.00 0.55 H new ATOM 0 HG3 LYS A 84 -3.908 -5.127 -0.458 1.00 0.55 H new ATOM 0 HD2 LYS A 84 -2.509 -5.792 1.593 1.00 0.66 H new ATOM 0 HD3 LYS A 84 -2.950 -4.247 2.292 1.00 0.66 H new ATOM 0 HE2 LYS A 84 -4.490 -5.902 3.130 1.00 0.67 H new ATOM 0 HE3 LYS A 84 -5.371 -4.855 2.034 1.00 0.67 H new ATOM 0 HZ1 LYS A 84 -5.578 -7.434 1.874 1.00 1.32 H new ATOM 0 HZ2 LYS A 84 -5.565 -6.487 0.465 1.00 1.32 H new ATOM 0 HZ3 LYS A 84 -4.159 -7.306 0.950 1.00 1.32 H new ATOM 1431 N GLN A 85 -0.013 -3.068 -2.724 1.00 0.44 N ATOM 1432 CA GLN A 85 1.363 -2.789 -3.051 1.00 0.47 C ATOM 1433 C GLN A 85 1.452 -1.590 -3.970 1.00 0.52 C ATOM 1434 O GLN A 85 0.522 -1.291 -4.715 1.00 0.83 O ATOM 1435 CB GLN A 85 2.018 -3.996 -3.724 1.00 0.53 C ATOM 1436 CG GLN A 85 1.228 -5.280 -3.588 1.00 0.50 C ATOM 1437 CD GLN A 85 2.043 -6.507 -3.928 1.00 0.64 C ATOM 1438 OE1 GLN A 85 2.134 -6.902 -5.091 1.00 1.10 O ATOM 1439 NE2 GLN A 85 2.620 -7.132 -2.917 1.00 0.72 N ATOM 0 H GLN A 85 -0.489 -3.685 -3.382 1.00 0.44 H new ATOM 0 HA GLN A 85 1.892 -2.573 -2.123 1.00 0.47 H new ATOM 0 HB2 GLN A 85 2.157 -3.778 -4.783 1.00 0.53 H new ATOM 0 HB3 GLN A 85 3.009 -4.144 -3.296 1.00 0.53 H new ATOM 0 HG2 GLN A 85 0.857 -5.367 -2.567 1.00 0.50 H new ATOM 0 HG3 GLN A 85 0.356 -5.236 -4.241 1.00 0.50 H new ATOM 0 HE21 GLN A 85 2.519 -6.770 -1.969 1.00 0.72 H new ATOM 0 HE22 GLN A 85 3.167 -7.977 -3.085 1.00 0.72 H new ATOM 1448 N ARG A 86 2.570 -0.906 -3.895 1.00 0.50 N ATOM 1449 CA ARG A 86 2.865 0.190 -4.797 1.00 0.52 C ATOM 1450 C ARG A 86 4.151 -0.122 -5.564 1.00 0.50 C ATOM 1451 O ARG A 86 5.002 -0.865 -5.067 1.00 0.53 O ATOM 1452 CB ARG A 86 3.019 1.488 -4.009 1.00 0.67 C ATOM 1453 CG ARG A 86 4.043 1.375 -2.903 1.00 0.85 C ATOM 1454 CD ARG A 86 4.600 2.722 -2.506 1.00 0.98 C ATOM 1455 NE ARG A 86 3.820 3.372 -1.454 1.00 1.13 N ATOM 1456 CZ ARG A 86 3.546 4.677 -1.415 1.00 1.24 C ATOM 1457 NH1 ARG A 86 3.933 5.481 -2.395 1.00 1.62 N ATOM 1458 NH2 ARG A 86 2.882 5.176 -0.385 1.00 1.85 N ATOM 0 H ARG A 86 3.302 -1.091 -3.209 1.00 0.50 H new ATOM 0 HA ARG A 86 2.045 0.312 -5.505 1.00 0.52 H new ATOM 0 HB2 ARG A 86 3.309 2.289 -4.688 1.00 0.67 H new ATOM 0 HB3 ARG A 86 2.056 1.766 -3.581 1.00 0.67 H new ATOM 0 HG2 ARG A 86 3.587 0.901 -2.034 1.00 0.85 H new ATOM 0 HG3 ARG A 86 4.857 0.728 -3.228 1.00 0.85 H new ATOM 0 HD2 ARG A 86 5.628 2.598 -2.166 1.00 0.98 H new ATOM 0 HD3 ARG A 86 4.630 3.370 -3.382 1.00 0.98 H new ATOM 0 HE ARG A 86 3.461 2.788 -0.699 1.00 1.13 H new ATOM 0 HH11 ARG A 86 4.447 5.104 -3.191 1.00 1.62 H new ATOM 0 HH12 ARG A 86 3.717 6.477 -2.353 1.00 1.62 H new ATOM 0 HH21 ARG A 86 2.583 4.564 0.374 1.00 1.85 H new ATOM 0 HH22 ARG A 86 2.670 6.173 -0.350 1.00 1.85 H new ATOM 1472 N PRO A 87 4.301 0.410 -6.787 1.00 0.52 N ATOM 1473 CA PRO A 87 5.491 0.169 -7.605 1.00 0.52 C ATOM 1474 C PRO A 87 6.731 0.860 -7.041 1.00 0.53 C ATOM 1475 O PRO A 87 6.839 2.085 -7.063 1.00 0.62 O ATOM 1476 CB PRO A 87 5.119 0.755 -8.970 1.00 0.57 C ATOM 1477 CG PRO A 87 4.074 1.775 -8.677 1.00 0.86 C ATOM 1478 CD PRO A 87 3.325 1.277 -7.473 1.00 0.60 C ATOM 0 HA PRO A 87 5.749 -0.889 -7.644 1.00 0.52 H new ATOM 0 HB2 PRO A 87 5.985 1.205 -9.456 1.00 0.57 H new ATOM 0 HB3 PRO A 87 4.741 -0.016 -9.641 1.00 0.57 H new ATOM 0 HG2 PRO A 87 4.525 2.748 -8.480 1.00 0.86 H new ATOM 0 HG3 PRO A 87 3.404 1.901 -9.527 1.00 0.86 H new ATOM 0 HD2 PRO A 87 3.002 2.099 -6.834 1.00 0.60 H new ATOM 0 HD3 PRO A 87 2.430 0.724 -7.759 1.00 0.60 H new ATOM 1486 N LEU A 88 7.645 0.066 -6.506 1.00 0.50 N ATOM 1487 CA LEU A 88 8.887 0.592 -5.968 1.00 0.53 C ATOM 1488 C LEU A 88 10.040 0.338 -6.922 1.00 0.44 C ATOM 1489 O LEU A 88 10.223 -0.784 -7.398 1.00 0.42 O ATOM 1490 CB LEU A 88 9.201 0.019 -4.596 1.00 0.63 C ATOM 1491 CG LEU A 88 8.866 0.963 -3.448 1.00 0.88 C ATOM 1492 CD1 LEU A 88 7.428 0.799 -3.003 1.00 1.19 C ATOM 1493 CD2 LEU A 88 9.828 0.754 -2.304 1.00 1.51 C ATOM 0 H LEU A 88 7.549 -0.947 -6.433 1.00 0.50 H new ATOM 0 HA LEU A 88 8.755 1.668 -5.854 1.00 0.53 H new ATOM 0 HB2 LEU A 88 8.647 -0.910 -4.464 1.00 0.63 H new ATOM 0 HB3 LEU A 88 10.261 -0.233 -4.551 1.00 0.63 H new ATOM 0 HG LEU A 88 8.975 1.988 -3.801 1.00 0.88 H new ATOM 0 HD11 LEU A 88 7.220 1.486 -2.183 1.00 1.19 H new ATOM 0 HD12 LEU A 88 6.762 1.018 -3.837 1.00 1.19 H new ATOM 0 HD13 LEU A 88 7.265 -0.225 -2.668 1.00 1.19 H new ATOM 0 HD21 LEU A 88 9.578 1.434 -1.490 1.00 1.51 H new ATOM 0 HD22 LEU A 88 9.757 -0.275 -1.952 1.00 1.51 H new ATOM 0 HD23 LEU A 88 10.845 0.952 -2.643 1.00 1.51 H new ATOM 1505 N LYS A 89 10.807 1.375 -7.202 1.00 0.44 N ATOM 1506 CA LYS A 89 12.007 1.231 -8.006 1.00 0.42 C ATOM 1507 C LYS A 89 13.208 1.093 -7.092 1.00 0.39 C ATOM 1508 O LYS A 89 13.538 2.009 -6.350 1.00 0.42 O ATOM 1509 CB LYS A 89 12.194 2.415 -8.961 1.00 0.51 C ATOM 1510 CG LYS A 89 11.377 2.303 -10.241 1.00 0.69 C ATOM 1511 CD LYS A 89 9.891 2.521 -10.002 1.00 0.93 C ATOM 1512 CE LYS A 89 9.555 3.997 -9.881 1.00 1.49 C ATOM 1513 NZ LYS A 89 9.938 4.749 -11.105 1.00 2.11 N ATOM 0 H LYS A 89 10.621 2.326 -6.885 1.00 0.44 H new ATOM 0 HA LYS A 89 11.906 0.335 -8.619 1.00 0.42 H new ATOM 0 HB2 LYS A 89 11.919 3.334 -8.444 1.00 0.51 H new ATOM 0 HB3 LYS A 89 13.249 2.498 -9.220 1.00 0.51 H new ATOM 0 HG2 LYS A 89 11.737 3.035 -10.964 1.00 0.69 H new ATOM 0 HG3 LYS A 89 11.531 1.318 -10.682 1.00 0.69 H new ATOM 0 HD2 LYS A 89 9.322 2.084 -10.822 1.00 0.93 H new ATOM 0 HD3 LYS A 89 9.588 2.003 -9.092 1.00 0.93 H new ATOM 0 HE2 LYS A 89 8.486 4.114 -9.701 1.00 1.49 H new ATOM 0 HE3 LYS A 89 10.071 4.418 -9.018 1.00 1.49 H new ATOM 0 HZ1 LYS A 89 9.172 5.402 -11.365 1.00 2.11 H new ATOM 0 HZ2 LYS A 89 10.807 5.290 -10.922 1.00 2.11 H new ATOM 0 HZ3 LYS A 89 10.104 4.081 -11.885 1.00 2.11 H new ATOM 1527 N ILE A 90 13.867 -0.044 -7.170 1.00 0.36 N ATOM 1528 CA ILE A 90 14.910 -0.386 -6.219 1.00 0.33 C ATOM 1529 C ILE A 90 16.207 -0.665 -6.955 1.00 0.35 C ATOM 1530 O ILE A 90 16.211 -1.409 -7.935 1.00 0.36 O ATOM 1531 CB ILE A 90 14.523 -1.632 -5.386 1.00 0.32 C ATOM 1532 CG1 ILE A 90 13.194 -1.412 -4.653 1.00 0.35 C ATOM 1533 CG2 ILE A 90 15.626 -1.979 -4.394 1.00 0.33 C ATOM 1534 CD1 ILE A 90 13.236 -0.306 -3.621 1.00 0.36 C ATOM 0 H ILE A 90 13.700 -0.752 -7.885 1.00 0.36 H new ATOM 0 HA ILE A 90 15.037 0.460 -5.543 1.00 0.33 H new ATOM 0 HB ILE A 90 14.398 -2.469 -6.073 1.00 0.32 H new ATOM 0 HG12 ILE A 90 12.420 -1.182 -5.386 1.00 0.35 H new ATOM 0 HG13 ILE A 90 12.903 -2.341 -4.163 1.00 0.35 H new ATOM 0 HG21 ILE A 90 15.334 -2.857 -3.818 1.00 0.33 H new ATOM 0 HG22 ILE A 90 16.549 -2.189 -4.935 1.00 0.33 H new ATOM 0 HG23 ILE A 90 15.785 -1.139 -3.718 1.00 0.33 H new ATOM 0 HD11 ILE A 90 12.259 -0.213 -3.147 1.00 0.36 H new ATOM 0 HD12 ILE A 90 13.985 -0.542 -2.865 1.00 0.36 H new ATOM 0 HD13 ILE A 90 13.495 0.635 -4.106 1.00 0.36 H new ATOM 1546 N ARG A 91 17.304 -0.074 -6.503 1.00 0.38 N ATOM 1547 CA ARG A 91 18.600 -0.352 -7.089 1.00 0.43 C ATOM 1548 C ARG A 91 19.395 -1.240 -6.140 1.00 0.42 C ATOM 1549 O ARG A 91 19.624 -0.876 -4.987 1.00 0.44 O ATOM 1550 CB ARG A 91 19.356 0.947 -7.357 1.00 0.52 C ATOM 1551 CG ARG A 91 20.539 0.780 -8.295 1.00 0.57 C ATOM 1552 CD ARG A 91 21.237 2.106 -8.542 1.00 0.74 C ATOM 1553 NE ARG A 91 20.342 3.088 -9.150 1.00 0.72 N ATOM 1554 CZ ARG A 91 20.382 4.391 -8.886 1.00 1.09 C ATOM 1555 NH1 ARG A 91 21.351 4.887 -8.125 1.00 1.82 N ATOM 1556 NH2 ARG A 91 19.477 5.197 -9.422 1.00 1.12 N ATOM 0 H ARG A 91 17.319 0.598 -5.736 1.00 0.38 H new ATOM 0 HA ARG A 91 18.463 -0.866 -8.041 1.00 0.43 H new ATOM 0 HB2 ARG A 91 18.667 1.678 -7.781 1.00 0.52 H new ATOM 0 HB3 ARG A 91 19.709 1.354 -6.410 1.00 0.52 H new ATOM 0 HG2 ARG A 91 21.246 0.068 -7.869 1.00 0.57 H new ATOM 0 HG3 ARG A 91 20.199 0.363 -9.243 1.00 0.57 H new ATOM 0 HD2 ARG A 91 21.618 2.497 -7.599 1.00 0.74 H new ATOM 0 HD3 ARG A 91 22.098 1.948 -9.192 1.00 0.74 H new ATOM 0 HE ARG A 91 19.645 2.755 -9.816 1.00 0.72 H new ATOM 0 HH11 ARG A 91 22.066 4.268 -7.742 1.00 1.82 H new ATOM 0 HH12 ARG A 91 21.380 5.886 -7.924 1.00 1.82 H new ATOM 0 HH21 ARG A 91 18.754 4.817 -10.034 1.00 1.12 H new ATOM 0 HH22 ARG A 91 19.503 6.197 -9.223 1.00 1.12 H new ATOM 1570 N MET A 92 19.799 -2.400 -6.626 1.00 0.42 N ATOM 1571 CA MET A 92 20.492 -3.393 -5.814 1.00 0.44 C ATOM 1572 C MET A 92 21.976 -3.090 -5.699 1.00 0.48 C ATOM 1573 O MET A 92 22.481 -2.172 -6.349 1.00 0.51 O ATOM 1574 CB MET A 92 20.295 -4.777 -6.430 1.00 0.46 C ATOM 1575 CG MET A 92 19.213 -5.609 -5.766 1.00 0.57 C ATOM 1576 SD MET A 92 17.748 -4.665 -5.313 1.00 1.04 S ATOM 1577 CE MET A 92 17.080 -4.292 -6.927 1.00 0.34 C ATOM 0 H MET A 92 19.657 -2.684 -7.595 1.00 0.42 H new ATOM 0 HA MET A 92 20.069 -3.364 -4.810 1.00 0.44 H new ATOM 0 HB2 MET A 92 20.050 -4.660 -7.486 1.00 0.46 H new ATOM 0 HB3 MET A 92 21.238 -5.322 -6.380 1.00 0.46 H new ATOM 0 HG2 MET A 92 18.921 -6.414 -6.440 1.00 0.57 H new ATOM 0 HG3 MET A 92 19.624 -6.076 -4.871 1.00 0.57 H new ATOM 0 HE1 MET A 92 16.034 -4.001 -6.830 1.00 0.34 H new ATOM 0 HE2 MET A 92 17.644 -3.473 -7.374 1.00 0.34 H new ATOM 0 HE3 MET A 92 17.154 -5.173 -7.564 1.00 0.34 H new ATOM 1587 N LEU A 93 22.664 -3.917 -4.909 1.00 0.49 N ATOM 1588 CA LEU A 93 24.062 -3.694 -4.527 1.00 0.55 C ATOM 1589 C LEU A 93 24.956 -3.454 -5.737 1.00 0.61 C ATOM 1590 O LEU A 93 25.762 -2.524 -5.746 1.00 0.69 O ATOM 1591 CB LEU A 93 24.615 -4.892 -3.733 1.00 0.57 C ATOM 1592 CG LEU A 93 23.945 -5.201 -2.385 1.00 0.57 C ATOM 1593 CD1 LEU A 93 23.693 -3.927 -1.593 1.00 0.68 C ATOM 1594 CD2 LEU A 93 22.655 -5.989 -2.576 1.00 0.79 C ATOM 0 H LEU A 93 22.264 -4.768 -4.513 1.00 0.49 H new ATOM 0 HA LEU A 93 24.071 -2.800 -3.903 1.00 0.55 H new ATOM 0 HB2 LEU A 93 24.539 -5.780 -4.361 1.00 0.57 H new ATOM 0 HB3 LEU A 93 25.676 -4.719 -3.553 1.00 0.57 H new ATOM 0 HG LEU A 93 24.632 -5.823 -1.811 1.00 0.57 H new ATOM 0 HD11 LEU A 93 23.218 -4.176 -0.644 1.00 0.68 H new ATOM 0 HD12 LEU A 93 24.641 -3.423 -1.403 1.00 0.68 H new ATOM 0 HD13 LEU A 93 23.039 -3.267 -2.163 1.00 0.68 H new ATOM 0 HD21 LEU A 93 22.205 -6.192 -1.604 1.00 0.79 H new ATOM 0 HD22 LEU A 93 21.960 -5.408 -3.183 1.00 0.79 H new ATOM 0 HD23 LEU A 93 22.875 -6.931 -3.078 1.00 0.79 H new ATOM 1606 N ASP A 94 24.804 -4.290 -6.757 1.00 0.61 N ATOM 1607 CA ASP A 94 25.639 -4.199 -7.952 1.00 0.69 C ATOM 1608 C ASP A 94 25.187 -3.056 -8.849 1.00 0.66 C ATOM 1609 O ASP A 94 25.803 -2.780 -9.880 1.00 0.70 O ATOM 1610 CB ASP A 94 25.615 -5.515 -8.735 1.00 0.76 C ATOM 1611 CG ASP A 94 26.272 -6.653 -7.981 1.00 1.47 C ATOM 1612 OD1 ASP A 94 27.519 -6.730 -7.977 1.00 2.26 O ATOM 1613 OD2 ASP A 94 25.546 -7.470 -7.380 1.00 1.93 O ATOM 0 H ASP A 94 24.111 -5.038 -6.782 1.00 0.61 H new ATOM 0 HA ASP A 94 26.660 -4.002 -7.626 1.00 0.69 H new ATOM 0 HB2 ASP A 94 24.582 -5.781 -8.960 1.00 0.76 H new ATOM 0 HB3 ASP A 94 26.123 -5.375 -9.689 1.00 0.76 H new ATOM 1618 N GLY A 95 24.110 -2.396 -8.455 1.00 0.61 N ATOM 1619 CA GLY A 95 23.615 -1.263 -9.207 1.00 0.61 C ATOM 1620 C GLY A 95 22.457 -1.644 -10.094 1.00 0.58 C ATOM 1621 O GLY A 95 21.996 -0.845 -10.911 1.00 0.64 O ATOM 0 H GLY A 95 23.567 -2.626 -7.623 1.00 0.61 H new ATOM 0 HA2 GLY A 95 23.303 -0.478 -8.518 1.00 0.61 H new ATOM 0 HA3 GLY A 95 24.420 -0.851 -9.816 1.00 0.61 H new ATOM 1625 N THR A 96 21.974 -2.860 -9.921 1.00 0.54 N ATOM 1626 CA THR A 96 20.908 -3.382 -10.759 1.00 0.54 C ATOM 1627 C THR A 96 19.562 -2.916 -10.236 1.00 0.47 C ATOM 1628 O THR A 96 19.242 -3.125 -9.072 1.00 0.47 O ATOM 1629 CB THR A 96 20.952 -4.922 -10.804 1.00 0.62 C ATOM 1630 OG1 THR A 96 22.268 -5.350 -11.183 1.00 0.81 O ATOM 1631 CG2 THR A 96 19.930 -5.475 -11.788 1.00 0.61 C ATOM 0 H THR A 96 22.304 -3.508 -9.205 1.00 0.54 H new ATOM 0 HA THR A 96 21.050 -3.004 -11.772 1.00 0.54 H new ATOM 0 HB THR A 96 20.707 -5.302 -9.812 1.00 0.62 H new ATOM 0 HG1 THR A 96 22.298 -6.329 -11.210 1.00 0.81 H new ATOM 0 HG21 THR A 96 19.986 -6.564 -11.797 1.00 0.61 H new ATOM 0 HG22 THR A 96 18.930 -5.165 -11.486 1.00 0.61 H new ATOM 0 HG23 THR A 96 20.142 -5.093 -12.786 1.00 0.61 H new ATOM 1639 N VAL A 97 18.778 -2.286 -11.085 1.00 0.45 N ATOM 1640 CA VAL A 97 17.532 -1.695 -10.646 1.00 0.41 C ATOM 1641 C VAL A 97 16.341 -2.498 -11.158 1.00 0.38 C ATOM 1642 O VAL A 97 16.322 -2.956 -12.301 1.00 0.41 O ATOM 1643 CB VAL A 97 17.422 -0.205 -11.067 1.00 0.50 C ATOM 1644 CG1 VAL A 97 17.573 -0.036 -12.568 1.00 1.07 C ATOM 1645 CG2 VAL A 97 16.112 0.406 -10.590 1.00 1.11 C ATOM 0 H VAL A 97 18.980 -2.170 -12.078 1.00 0.45 H new ATOM 0 HA VAL A 97 17.521 -1.725 -9.556 1.00 0.41 H new ATOM 0 HB VAL A 97 18.243 0.327 -10.586 1.00 0.50 H new ATOM 0 HG11 VAL A 97 17.490 1.020 -12.825 1.00 1.07 H new ATOM 0 HG12 VAL A 97 18.548 -0.410 -12.880 1.00 1.07 H new ATOM 0 HG13 VAL A 97 16.789 -0.596 -13.078 1.00 1.07 H new ATOM 0 HG21 VAL A 97 16.063 1.450 -10.900 1.00 1.11 H new ATOM 0 HG22 VAL A 97 15.276 -0.141 -11.025 1.00 1.11 H new ATOM 0 HG23 VAL A 97 16.058 0.347 -9.503 1.00 1.11 H new ATOM 1655 N LYS A 98 15.366 -2.679 -10.287 1.00 0.35 N ATOM 1656 CA LYS A 98 14.144 -3.381 -10.640 1.00 0.35 C ATOM 1657 C LYS A 98 12.953 -2.662 -10.036 1.00 0.36 C ATOM 1658 O LYS A 98 13.101 -1.896 -9.083 1.00 0.37 O ATOM 1659 CB LYS A 98 14.163 -4.839 -10.165 1.00 0.38 C ATOM 1660 CG LYS A 98 13.934 -5.009 -8.670 1.00 0.41 C ATOM 1661 CD LYS A 98 13.618 -6.454 -8.297 1.00 0.43 C ATOM 1662 CE LYS A 98 12.284 -6.925 -8.865 1.00 0.43 C ATOM 1663 NZ LYS A 98 12.387 -7.363 -10.284 1.00 0.94 N ATOM 0 H LYS A 98 15.396 -2.347 -9.323 1.00 0.35 H new ATOM 0 HA LYS A 98 14.066 -3.388 -11.727 1.00 0.35 H new ATOM 0 HB2 LYS A 98 13.397 -5.396 -10.705 1.00 0.38 H new ATOM 0 HB3 LYS A 98 15.123 -5.283 -10.427 1.00 0.38 H new ATOM 0 HG2 LYS A 98 14.821 -4.681 -8.129 1.00 0.41 H new ATOM 0 HG3 LYS A 98 13.112 -4.366 -8.354 1.00 0.41 H new ATOM 0 HD2 LYS A 98 14.414 -7.103 -8.662 1.00 0.43 H new ATOM 0 HD3 LYS A 98 13.601 -6.550 -7.211 1.00 0.43 H new ATOM 0 HE2 LYS A 98 11.907 -7.750 -8.261 1.00 0.43 H new ATOM 0 HE3 LYS A 98 11.556 -6.117 -8.790 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 11.815 -6.735 -10.884 1.00 0.94 H new ATOM 0 HZ2 LYS A 98 13.380 -7.322 -10.589 1.00 0.94 H new ATOM 0 HZ3 LYS A 98 12.038 -8.339 -10.372 1.00 0.94 H new ATOM 1677 N THR A 99 11.779 -2.897 -10.589 1.00 0.40 N ATOM 1678 CA THR A 99 10.562 -2.357 -10.030 1.00 0.44 C ATOM 1679 C THR A 99 9.695 -3.494 -9.503 1.00 0.47 C ATOM 1680 O THR A 99 9.264 -4.358 -10.268 1.00 0.58 O ATOM 1681 CB THR A 99 9.779 -1.558 -11.086 1.00 0.48 C ATOM 1682 OG1 THR A 99 10.620 -0.539 -11.649 1.00 0.50 O ATOM 1683 CG2 THR A 99 8.540 -0.927 -10.472 1.00 0.57 C ATOM 0 H THR A 99 11.645 -3.461 -11.428 1.00 0.40 H new ATOM 0 HA THR A 99 10.826 -1.684 -9.214 1.00 0.44 H new ATOM 0 HB THR A 99 9.464 -2.241 -11.874 1.00 0.48 H new ATOM 0 HG1 THR A 99 10.117 -0.035 -12.322 1.00 0.50 H new ATOM 0 HG21 THR A 99 8.001 -0.367 -11.236 1.00 0.57 H new ATOM 0 HG22 THR A 99 7.894 -1.708 -10.071 1.00 0.57 H new ATOM 0 HG23 THR A 99 8.835 -0.253 -9.668 1.00 0.57 H new ATOM 1691 N ILE A 100 9.461 -3.512 -8.200 1.00 0.42 N ATOM 1692 CA ILE A 100 8.682 -4.570 -7.579 1.00 0.44 C ATOM 1693 C ILE A 100 7.598 -3.941 -6.709 1.00 0.45 C ATOM 1694 O ILE A 100 7.791 -2.861 -6.147 1.00 0.45 O ATOM 1695 CB ILE A 100 9.588 -5.524 -6.749 1.00 0.48 C ATOM 1696 CG1 ILE A 100 8.828 -6.796 -6.329 1.00 0.61 C ATOM 1697 CG2 ILE A 100 10.171 -4.812 -5.533 1.00 0.48 C ATOM 1698 CD1 ILE A 100 8.129 -6.709 -4.986 1.00 0.50 C ATOM 0 H ILE A 100 9.801 -2.803 -7.551 1.00 0.42 H new ATOM 0 HA ILE A 100 8.214 -5.175 -8.355 1.00 0.44 H new ATOM 0 HB ILE A 100 10.416 -5.828 -7.390 1.00 0.48 H new ATOM 0 HG12 ILE A 100 8.086 -7.028 -7.094 1.00 0.61 H new ATOM 0 HG13 ILE A 100 9.530 -7.629 -6.303 1.00 0.61 H new ATOM 0 HG21 ILE A 100 10.800 -5.504 -4.973 1.00 0.48 H new ATOM 0 HG22 ILE A 100 10.770 -3.962 -5.861 1.00 0.48 H new ATOM 0 HG23 ILE A 100 9.361 -4.460 -4.895 1.00 0.48 H new ATOM 0 HD11 ILE A 100 7.622 -7.651 -4.778 1.00 0.50 H new ATOM 0 HD12 ILE A 100 8.864 -6.512 -4.205 1.00 0.50 H new ATOM 0 HD13 ILE A 100 7.398 -5.901 -5.008 1.00 0.50 H new ATOM 1710 N MET A 101 6.450 -4.589 -6.633 1.00 0.47 N ATOM 1711 CA MET A 101 5.341 -4.049 -5.871 1.00 0.50 C ATOM 1712 C MET A 101 5.327 -4.585 -4.450 1.00 0.50 C ATOM 1713 O MET A 101 5.144 -5.777 -4.209 1.00 0.52 O ATOM 1714 CB MET A 101 4.022 -4.358 -6.570 1.00 0.56 C ATOM 1715 CG MET A 101 3.945 -3.784 -7.972 1.00 0.64 C ATOM 1716 SD MET A 101 2.266 -3.363 -8.455 1.00 0.98 S ATOM 1717 CE MET A 101 1.928 -2.062 -7.275 1.00 0.59 C ATOM 0 H MET A 101 6.262 -5.483 -7.086 1.00 0.47 H new ATOM 0 HA MET A 101 5.469 -2.968 -5.815 1.00 0.50 H new ATOM 0 HB2 MET A 101 3.887 -5.439 -6.618 1.00 0.56 H new ATOM 0 HB3 MET A 101 3.200 -3.960 -5.975 1.00 0.56 H new ATOM 0 HG2 MET A 101 4.570 -2.893 -8.031 1.00 0.64 H new ATOM 0 HG3 MET A 101 4.352 -4.506 -8.679 1.00 0.64 H new ATOM 0 HE1 MET A 101 1.156 -2.392 -6.580 1.00 0.59 H new ATOM 0 HE2 MET A 101 2.837 -1.827 -6.722 1.00 0.59 H new ATOM 0 HE3 MET A 101 1.584 -1.172 -7.803 1.00 0.59 H new ATOM 1727 N VAL A 102 5.542 -3.669 -3.524 1.00 0.50 N ATOM 1728 CA VAL A 102 5.513 -3.978 -2.102 1.00 0.53 C ATOM 1729 C VAL A 102 4.304 -3.362 -1.439 1.00 0.49 C ATOM 1730 O VAL A 102 3.984 -2.195 -1.676 1.00 0.50 O ATOM 1731 CB VAL A 102 6.774 -3.500 -1.362 1.00 0.61 C ATOM 1732 CG1 VAL A 102 7.648 -4.684 -1.005 1.00 0.73 C ATOM 1733 CG2 VAL A 102 7.547 -2.484 -2.189 1.00 0.90 C ATOM 0 H VAL A 102 5.742 -2.691 -3.733 1.00 0.50 H new ATOM 0 HA VAL A 102 5.467 -5.065 -2.036 1.00 0.53 H new ATOM 0 HB VAL A 102 6.464 -3.005 -0.442 1.00 0.61 H new ATOM 0 HG11 VAL A 102 8.538 -4.335 -0.482 1.00 0.73 H new ATOM 0 HG12 VAL A 102 7.092 -5.365 -0.361 1.00 0.73 H new ATOM 0 HG13 VAL A 102 7.944 -5.205 -1.915 1.00 0.73 H new ATOM 0 HG21 VAL A 102 8.433 -2.165 -1.639 1.00 0.90 H new ATOM 0 HG22 VAL A 102 7.850 -2.938 -3.133 1.00 0.90 H new ATOM 0 HG23 VAL A 102 6.913 -1.620 -2.389 1.00 0.90 H new ATOM 1743 N ASP A 103 3.627 -4.164 -0.629 1.00 0.48 N ATOM 1744 CA ASP A 103 2.446 -3.718 0.095 1.00 0.47 C ATOM 1745 C ASP A 103 2.777 -2.524 0.978 1.00 0.46 C ATOM 1746 O ASP A 103 3.591 -2.615 1.893 1.00 0.51 O ATOM 1747 CB ASP A 103 1.869 -4.860 0.934 1.00 0.51 C ATOM 1748 CG ASP A 103 1.545 -6.080 0.100 1.00 1.22 C ATOM 1749 OD1 ASP A 103 2.473 -6.826 -0.273 1.00 1.96 O ATOM 1750 OD2 ASP A 103 0.349 -6.304 -0.177 1.00 1.56 O ATOM 0 H ASP A 103 3.880 -5.137 -0.456 1.00 0.48 H new ATOM 0 HA ASP A 103 1.695 -3.409 -0.632 1.00 0.47 H new ATOM 0 HB2 ASP A 103 2.583 -5.133 1.711 1.00 0.51 H new ATOM 0 HB3 ASP A 103 0.965 -4.517 1.438 1.00 0.51 H new ATOM 1755 N ASP A 104 2.149 -1.404 0.669 1.00 0.46 N ATOM 1756 CA ASP A 104 2.332 -0.159 1.409 1.00 0.47 C ATOM 1757 C ASP A 104 1.760 -0.282 2.822 1.00 0.46 C ATOM 1758 O ASP A 104 2.032 0.541 3.700 1.00 0.54 O ATOM 1759 CB ASP A 104 1.646 0.977 0.639 1.00 0.54 C ATOM 1760 CG ASP A 104 1.750 2.323 1.324 1.00 0.66 C ATOM 1761 OD1 ASP A 104 2.794 2.984 1.173 1.00 1.08 O ATOM 1762 OD2 ASP A 104 0.806 2.703 2.044 1.00 0.64 O ATOM 0 H ASP A 104 1.492 -1.328 -0.107 1.00 0.46 H new ATOM 0 HA ASP A 104 3.396 0.058 1.504 1.00 0.47 H new ATOM 0 HB2 ASP A 104 2.088 1.049 -0.355 1.00 0.54 H new ATOM 0 HB3 ASP A 104 0.594 0.728 0.503 1.00 0.54 H new ATOM 1767 N SER A 105 0.981 -1.332 3.036 1.00 0.43 N ATOM 1768 CA SER A 105 0.360 -1.576 4.320 1.00 0.49 C ATOM 1769 C SER A 105 1.313 -2.277 5.299 1.00 0.57 C ATOM 1770 O SER A 105 0.950 -2.522 6.452 1.00 0.96 O ATOM 1771 CB SER A 105 -0.908 -2.403 4.108 1.00 0.52 C ATOM 1772 OG SER A 105 -0.685 -3.435 3.162 1.00 1.27 O ATOM 0 H SER A 105 0.765 -2.032 2.326 1.00 0.43 H new ATOM 0 HA SER A 105 0.105 -0.616 4.770 1.00 0.49 H new ATOM 0 HB2 SER A 105 -1.228 -2.836 5.056 1.00 0.52 H new ATOM 0 HB3 SER A 105 -1.716 -1.757 3.764 1.00 0.52 H new ATOM 0 HG SER A 105 -0.998 -4.288 3.529 1.00 1.27 H new ATOM 1778 N LYS A 106 2.529 -2.596 4.854 1.00 0.45 N ATOM 1779 CA LYS A 106 3.507 -3.217 5.740 1.00 0.49 C ATOM 1780 C LYS A 106 4.796 -2.396 5.809 1.00 0.52 C ATOM 1781 O LYS A 106 5.064 -1.569 4.937 1.00 0.65 O ATOM 1782 CB LYS A 106 3.776 -4.678 5.333 1.00 0.58 C ATOM 1783 CG LYS A 106 4.088 -4.909 3.860 1.00 0.69 C ATOM 1784 CD LYS A 106 5.530 -4.580 3.512 1.00 0.58 C ATOM 1785 CE LYS A 106 5.916 -5.142 2.150 1.00 1.00 C ATOM 1786 NZ LYS A 106 5.897 -6.634 2.125 1.00 2.02 N ATOM 0 H LYS A 106 2.854 -2.437 3.900 1.00 0.45 H new ATOM 0 HA LYS A 106 3.086 -3.234 6.745 1.00 0.49 H new ATOM 0 HB2 LYS A 106 4.611 -5.052 5.925 1.00 0.58 H new ATOM 0 HB3 LYS A 106 2.904 -5.276 5.598 1.00 0.58 H new ATOM 0 HG2 LYS A 106 3.885 -5.950 3.608 1.00 0.69 H new ATOM 0 HG3 LYS A 106 3.422 -4.298 3.251 1.00 0.69 H new ATOM 0 HD2 LYS A 106 5.668 -3.499 3.514 1.00 0.58 H new ATOM 0 HD3 LYS A 106 6.192 -4.987 4.276 1.00 0.58 H new ATOM 0 HE2 LYS A 106 5.230 -4.760 1.394 1.00 1.00 H new ATOM 0 HE3 LYS A 106 6.912 -4.789 1.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 106 6.678 -6.981 1.532 1.00 2.02 H new ATOM 0 HZ2 LYS A 106 6.008 -6.999 3.093 1.00 2.02 H new ATOM 0 HZ3 LYS A 106 4.992 -6.963 1.733 1.00 2.02 H new ATOM 1800 N THR A 107 5.581 -2.624 6.860 1.00 0.53 N ATOM 1801 CA THR A 107 6.778 -1.832 7.113 1.00 0.57 C ATOM 1802 C THR A 107 7.933 -2.210 6.187 1.00 0.52 C ATOM 1803 O THR A 107 7.810 -3.092 5.334 1.00 0.54 O ATOM 1804 CB THR A 107 7.238 -1.967 8.575 1.00 0.69 C ATOM 1805 OG1 THR A 107 7.374 -3.351 8.923 1.00 0.76 O ATOM 1806 CG2 THR A 107 6.259 -1.289 9.521 1.00 0.74 C ATOM 0 H THR A 107 5.407 -3.354 7.551 1.00 0.53 H new ATOM 0 HA THR A 107 6.503 -0.797 6.912 1.00 0.57 H new ATOM 0 HB THR A 107 8.205 -1.474 8.672 1.00 0.69 H new ATOM 0 HG1 THR A 107 7.669 -3.427 9.855 1.00 0.76 H new ATOM 0 HG21 THR A 107 6.609 -1.400 10.547 1.00 0.74 H new ATOM 0 HG22 THR A 107 6.189 -0.230 9.274 1.00 0.74 H new ATOM 0 HG23 THR A 107 5.277 -1.751 9.421 1.00 0.74 H new ATOM 1814 N VAL A 108 9.075 -1.558 6.389 1.00 0.49 N ATOM 1815 CA VAL A 108 10.198 -1.680 5.473 1.00 0.47 C ATOM 1816 C VAL A 108 10.933 -3.003 5.650 1.00 0.42 C ATOM 1817 O VAL A 108 11.413 -3.576 4.684 1.00 0.44 O ATOM 1818 CB VAL A 108 11.199 -0.524 5.649 1.00 0.55 C ATOM 1819 CG1 VAL A 108 12.140 -0.441 4.460 1.00 0.61 C ATOM 1820 CG2 VAL A 108 10.473 0.795 5.870 1.00 0.60 C ATOM 0 H VAL A 108 9.244 -0.939 7.182 1.00 0.49 H new ATOM 0 HA VAL A 108 9.777 -1.641 4.468 1.00 0.47 H new ATOM 0 HB VAL A 108 11.798 -0.725 6.537 1.00 0.55 H new ATOM 0 HG11 VAL A 108 12.839 0.383 4.606 1.00 0.61 H new ATOM 0 HG12 VAL A 108 12.694 -1.375 4.369 1.00 0.61 H new ATOM 0 HG13 VAL A 108 11.563 -0.271 3.551 1.00 0.61 H new ATOM 0 HG21 VAL A 108 11.202 1.596 5.992 1.00 0.60 H new ATOM 0 HG22 VAL A 108 9.838 1.010 5.010 1.00 0.60 H new ATOM 0 HG23 VAL A 108 9.857 0.726 6.767 1.00 0.60 H new ATOM 1830 N THR A 109 11.070 -3.457 6.889 1.00 0.43 N ATOM 1831 CA THR A 109 11.653 -4.772 7.159 1.00 0.43 C ATOM 1832 C THR A 109 10.963 -5.860 6.338 1.00 0.44 C ATOM 1833 O THR A 109 11.620 -6.682 5.695 1.00 0.45 O ATOM 1834 CB THR A 109 11.554 -5.118 8.652 1.00 0.51 C ATOM 1835 OG1 THR A 109 12.107 -4.046 9.421 1.00 0.56 O ATOM 1836 CG2 THR A 109 12.292 -6.413 8.964 1.00 0.56 C ATOM 0 H THR A 109 10.788 -2.940 7.722 1.00 0.43 H new ATOM 0 HA THR A 109 12.703 -4.727 6.872 1.00 0.43 H new ATOM 0 HB THR A 109 10.504 -5.257 8.910 1.00 0.51 H new ATOM 0 HG1 THR A 109 11.413 -3.377 9.596 1.00 0.56 H new ATOM 0 HG21 THR A 109 12.206 -6.634 10.028 1.00 0.56 H new ATOM 0 HG22 THR A 109 11.855 -7.229 8.387 1.00 0.56 H new ATOM 0 HG23 THR A 109 13.344 -6.305 8.700 1.00 0.56 H new ATOM 1844 N ASP A 110 9.639 -5.841 6.341 1.00 0.47 N ATOM 1845 CA ASP A 110 8.864 -6.808 5.581 1.00 0.51 C ATOM 1846 C ASP A 110 8.982 -6.501 4.091 1.00 0.49 C ATOM 1847 O ASP A 110 9.052 -7.403 3.259 1.00 0.54 O ATOM 1848 CB ASP A 110 7.401 -6.772 6.025 1.00 0.57 C ATOM 1849 CG ASP A 110 6.603 -7.947 5.501 1.00 0.65 C ATOM 1850 OD1 ASP A 110 6.572 -8.996 6.174 1.00 0.76 O ATOM 1851 OD2 ASP A 110 6.016 -7.826 4.405 1.00 0.70 O ATOM 0 H ASP A 110 9.079 -5.166 6.862 1.00 0.47 H new ATOM 0 HA ASP A 110 9.254 -7.809 5.765 1.00 0.51 H new ATOM 0 HB2 ASP A 110 7.356 -6.764 7.114 1.00 0.57 H new ATOM 0 HB3 ASP A 110 6.944 -5.845 5.680 1.00 0.57 H new ATOM 1856 N MET A 111 9.030 -5.210 3.771 1.00 0.46 N ATOM 1857 CA MET A 111 9.223 -4.744 2.399 1.00 0.46 C ATOM 1858 C MET A 111 10.515 -5.290 1.807 1.00 0.40 C ATOM 1859 O MET A 111 10.521 -5.862 0.721 1.00 0.43 O ATOM 1860 CB MET A 111 9.272 -3.218 2.378 1.00 0.51 C ATOM 1861 CG MET A 111 9.513 -2.622 1.002 1.00 0.50 C ATOM 1862 SD MET A 111 9.922 -0.869 1.078 1.00 0.75 S ATOM 1863 CE MET A 111 8.723 -0.316 2.281 1.00 0.67 C ATOM 0 H MET A 111 8.936 -4.458 4.454 1.00 0.46 H new ATOM 0 HA MET A 111 8.386 -5.104 1.800 1.00 0.46 H new ATOM 0 HB2 MET A 111 8.332 -2.830 2.770 1.00 0.51 H new ATOM 0 HB3 MET A 111 10.061 -2.882 3.051 1.00 0.51 H new ATOM 0 HG2 MET A 111 10.324 -3.161 0.512 1.00 0.50 H new ATOM 0 HG3 MET A 111 8.623 -2.759 0.388 1.00 0.50 H new ATOM 0 HE1 MET A 111 8.470 0.727 2.089 1.00 0.67 H new ATOM 0 HE2 MET A 111 7.824 -0.928 2.206 1.00 0.67 H new ATOM 0 HE3 MET A 111 9.143 -0.409 3.283 1.00 0.67 H new ATOM 1873 N LEU A 112 11.604 -5.113 2.537 1.00 0.36 N ATOM 1874 CA LEU A 112 12.919 -5.508 2.064 1.00 0.34 C ATOM 1875 C LEU A 112 12.997 -7.019 1.921 1.00 0.37 C ATOM 1876 O LEU A 112 13.648 -7.535 1.014 1.00 0.42 O ATOM 1877 CB LEU A 112 13.995 -5.016 3.029 1.00 0.35 C ATOM 1878 CG LEU A 112 15.274 -4.521 2.363 1.00 0.38 C ATOM 1879 CD1 LEU A 112 14.993 -3.269 1.552 1.00 0.39 C ATOM 1880 CD2 LEU A 112 16.341 -4.249 3.405 1.00 0.46 C ATOM 0 H LEU A 112 11.601 -4.695 3.467 1.00 0.36 H new ATOM 0 HA LEU A 112 13.088 -5.055 1.087 1.00 0.34 H new ATOM 0 HB2 LEU A 112 13.580 -4.208 3.632 1.00 0.35 H new ATOM 0 HB3 LEU A 112 14.248 -5.827 3.712 1.00 0.35 H new ATOM 0 HG LEU A 112 15.639 -5.296 1.690 1.00 0.38 H new ATOM 0 HD11 LEU A 112 15.914 -2.926 1.082 1.00 0.39 H new ATOM 0 HD12 LEU A 112 14.254 -3.492 0.782 1.00 0.39 H new ATOM 0 HD13 LEU A 112 14.608 -2.489 2.209 1.00 0.39 H new ATOM 0 HD21 LEU A 112 17.248 -3.896 2.914 1.00 0.46 H new ATOM 0 HD22 LEU A 112 15.985 -3.488 4.100 1.00 0.46 H new ATOM 0 HD23 LEU A 112 16.558 -5.167 3.952 1.00 0.46 H new ATOM 1892 N MET A 113 12.317 -7.722 2.819 1.00 0.39 N ATOM 1893 CA MET A 113 12.223 -9.175 2.747 1.00 0.46 C ATOM 1894 C MET A 113 11.596 -9.582 1.424 1.00 0.49 C ATOM 1895 O MET A 113 12.004 -10.557 0.793 1.00 0.56 O ATOM 1896 CB MET A 113 11.376 -9.704 3.901 1.00 0.55 C ATOM 1897 CG MET A 113 11.359 -11.221 3.999 1.00 0.61 C ATOM 1898 SD MET A 113 10.377 -11.817 5.386 1.00 0.98 S ATOM 1899 CE MET A 113 8.761 -11.180 4.949 1.00 1.34 C ATOM 0 H MET A 113 11.821 -7.308 3.608 1.00 0.39 H new ATOM 0 HA MET A 113 13.225 -9.599 2.819 1.00 0.46 H new ATOM 0 HB2 MET A 113 11.754 -9.292 4.837 1.00 0.55 H new ATOM 0 HB3 MET A 113 10.354 -9.344 3.785 1.00 0.55 H new ATOM 0 HG2 MET A 113 10.962 -11.636 3.073 1.00 0.61 H new ATOM 0 HG3 MET A 113 12.381 -11.586 4.099 1.00 0.61 H new ATOM 0 HE1 MET A 113 7.993 -11.737 5.486 1.00 1.34 H new ATOM 0 HE2 MET A 113 8.700 -10.126 5.219 1.00 1.34 H new ATOM 0 HE3 MET A 113 8.605 -11.289 3.876 1.00 1.34 H new ATOM 1909 N THR A 114 10.602 -8.812 1.021 1.00 0.47 N ATOM 1910 CA THR A 114 9.934 -9.002 -0.246 1.00 0.50 C ATOM 1911 C THR A 114 10.874 -8.692 -1.417 1.00 0.46 C ATOM 1912 O THR A 114 10.945 -9.451 -2.382 1.00 0.49 O ATOM 1913 CB THR A 114 8.695 -8.090 -0.328 1.00 0.54 C ATOM 1914 OG1 THR A 114 7.781 -8.389 0.738 1.00 0.62 O ATOM 1915 CG2 THR A 114 7.984 -8.231 -1.669 1.00 0.60 C ATOM 0 H THR A 114 10.236 -8.034 1.569 1.00 0.47 H new ATOM 0 HA THR A 114 9.628 -10.046 -0.314 1.00 0.50 H new ATOM 0 HB THR A 114 9.040 -7.060 -0.231 1.00 0.54 H new ATOM 0 HG1 THR A 114 8.166 -8.098 1.591 1.00 0.62 H new ATOM 0 HG21 THR A 114 7.115 -7.573 -1.691 1.00 0.60 H new ATOM 0 HG22 THR A 114 8.667 -7.957 -2.473 1.00 0.60 H new ATOM 0 HG23 THR A 114 7.661 -9.263 -1.803 1.00 0.60 H new ATOM 1923 N ILE A 115 11.621 -7.594 -1.308 1.00 0.43 N ATOM 1924 CA ILE A 115 12.436 -7.100 -2.416 1.00 0.41 C ATOM 1925 C ILE A 115 13.675 -7.965 -2.642 1.00 0.42 C ATOM 1926 O ILE A 115 13.943 -8.388 -3.768 1.00 0.43 O ATOM 1927 CB ILE A 115 12.875 -5.639 -2.180 1.00 0.40 C ATOM 1928 CG1 ILE A 115 11.650 -4.737 -2.012 1.00 0.42 C ATOM 1929 CG2 ILE A 115 13.747 -5.150 -3.331 1.00 0.42 C ATOM 1930 CD1 ILE A 115 11.990 -3.310 -1.643 1.00 0.44 C ATOM 0 H ILE A 115 11.678 -7.029 -0.461 1.00 0.43 H new ATOM 0 HA ILE A 115 11.809 -7.149 -3.306 1.00 0.41 H new ATOM 0 HB ILE A 115 13.464 -5.597 -1.264 1.00 0.40 H new ATOM 0 HG12 ILE A 115 11.080 -4.736 -2.941 1.00 0.42 H new ATOM 0 HG13 ILE A 115 11.003 -5.158 -1.242 1.00 0.42 H new ATOM 0 HG21 ILE A 115 14.047 -4.118 -3.147 1.00 0.42 H new ATOM 0 HG22 ILE A 115 14.635 -5.778 -3.407 1.00 0.42 H new ATOM 0 HG23 ILE A 115 13.184 -5.204 -4.263 1.00 0.42 H new ATOM 0 HD11 ILE A 115 11.072 -2.732 -1.541 1.00 0.44 H new ATOM 0 HD12 ILE A 115 12.533 -3.298 -0.698 1.00 0.44 H new ATOM 0 HD13 ILE A 115 12.611 -2.870 -2.424 1.00 0.44 H new ATOM 1942 N CYS A 116 14.419 -8.242 -1.574 1.00 0.43 N ATOM 1943 CA CYS A 116 15.657 -9.008 -1.686 1.00 0.47 C ATOM 1944 C CYS A 116 15.370 -10.419 -2.195 1.00 0.50 C ATOM 1945 O CYS A 116 16.194 -11.029 -2.883 1.00 0.53 O ATOM 1946 CB CYS A 116 16.388 -9.059 -0.339 1.00 0.51 C ATOM 1947 SG CYS A 116 16.770 -7.434 0.357 1.00 1.56 S ATOM 0 H CYS A 116 14.187 -7.949 -0.625 1.00 0.43 H new ATOM 0 HA CYS A 116 16.304 -8.507 -2.406 1.00 0.47 H new ATOM 0 HB2 CYS A 116 15.776 -9.613 0.373 1.00 0.51 H new ATOM 0 HB3 CYS A 116 17.316 -9.617 -0.463 1.00 0.51 H new ATOM 0 HG CYS A 116 17.925 -7.477 0.951 1.00 1.56 H new ATOM 1953 N ALA A 117 14.176 -10.915 -1.887 1.00 0.50 N ATOM 1954 CA ALA A 117 13.760 -12.243 -2.314 1.00 0.54 C ATOM 1955 C ALA A 117 13.491 -12.283 -3.815 1.00 0.54 C ATOM 1956 O ALA A 117 13.607 -13.336 -4.442 1.00 0.58 O ATOM 1957 CB ALA A 117 12.525 -12.683 -1.546 1.00 0.57 C ATOM 0 H ALA A 117 13.477 -10.413 -1.340 1.00 0.50 H new ATOM 0 HA ALA A 117 14.575 -12.934 -2.099 1.00 0.54 H new ATOM 0 HB1 ALA A 117 12.226 -13.678 -1.877 1.00 0.57 H new ATOM 0 HB2 ALA A 117 12.749 -12.707 -0.480 1.00 0.57 H new ATOM 0 HB3 ALA A 117 11.712 -11.980 -1.730 1.00 0.57 H new ATOM 1963 N ARG A 118 13.139 -11.134 -4.393 1.00 0.50 N ATOM 1964 CA ARG A 118 12.881 -11.061 -5.830 1.00 0.51 C ATOM 1965 C ARG A 118 14.179 -11.274 -6.595 1.00 0.52 C ATOM 1966 O ARG A 118 14.197 -11.888 -7.659 1.00 0.55 O ATOM 1967 CB ARG A 118 12.271 -9.710 -6.236 1.00 0.49 C ATOM 1968 CG ARG A 118 11.073 -9.282 -5.401 1.00 0.49 C ATOM 1969 CD ARG A 118 9.953 -10.311 -5.412 1.00 0.58 C ATOM 1970 NE ARG A 118 9.398 -10.540 -6.746 1.00 0.84 N ATOM 1971 CZ ARG A 118 8.549 -11.526 -7.040 1.00 1.16 C ATOM 1972 NH1 ARG A 118 8.204 -12.412 -6.115 1.00 1.23 N ATOM 1973 NH2 ARG A 118 8.056 -11.634 -8.267 1.00 1.75 N ATOM 0 H ARG A 118 13.027 -10.251 -3.895 1.00 0.50 H new ATOM 0 HA ARG A 118 12.163 -11.843 -6.075 1.00 0.51 H new ATOM 0 HB2 ARG A 118 13.041 -8.942 -6.164 1.00 0.49 H new ATOM 0 HB3 ARG A 118 11.969 -9.762 -7.282 1.00 0.49 H new ATOM 0 HG2 ARG A 118 11.394 -9.111 -4.373 1.00 0.49 H new ATOM 0 HG3 ARG A 118 10.693 -8.333 -5.778 1.00 0.49 H new ATOM 0 HD2 ARG A 118 10.330 -11.254 -5.015 1.00 0.58 H new ATOM 0 HD3 ARG A 118 9.157 -9.980 -4.745 1.00 0.58 H new ATOM 0 HE ARG A 118 9.677 -9.908 -7.496 1.00 0.84 H new ATOM 0 HH11 ARG A 118 8.588 -12.342 -5.173 1.00 1.23 H new ATOM 0 HH12 ARG A 118 7.554 -13.164 -6.346 1.00 1.23 H new ATOM 0 HH21 ARG A 118 8.326 -10.963 -8.986 1.00 1.75 H new ATOM 0 HH22 ARG A 118 7.407 -12.388 -8.491 1.00 1.75 H new ATOM 1987 N ILE A 119 15.267 -10.759 -6.038 1.00 0.52 N ATOM 1988 CA ILE A 119 16.579 -10.904 -6.651 1.00 0.54 C ATOM 1989 C ILE A 119 17.119 -12.298 -6.394 1.00 0.58 C ATOM 1990 O ILE A 119 17.707 -12.926 -7.272 1.00 0.66 O ATOM 1991 CB ILE A 119 17.588 -9.889 -6.078 1.00 0.51 C ATOM 1992 CG1 ILE A 119 16.907 -8.554 -5.786 1.00 0.49 C ATOM 1993 CG2 ILE A 119 18.746 -9.693 -7.047 1.00 0.56 C ATOM 1994 CD1 ILE A 119 16.358 -7.867 -7.016 1.00 0.69 C ATOM 0 H ILE A 119 15.266 -10.237 -5.162 1.00 0.52 H new ATOM 0 HA ILE A 119 16.458 -10.725 -7.719 1.00 0.54 H new ATOM 0 HB ILE A 119 17.978 -10.285 -5.140 1.00 0.51 H new ATOM 0 HG12 ILE A 119 16.093 -8.719 -5.080 1.00 0.49 H new ATOM 0 HG13 ILE A 119 17.622 -7.891 -5.300 1.00 0.49 H new ATOM 0 HG21 ILE A 119 19.451 -8.974 -6.630 1.00 0.56 H new ATOM 0 HG22 ILE A 119 19.251 -10.645 -7.208 1.00 0.56 H new ATOM 0 HG23 ILE A 119 18.366 -9.319 -7.998 1.00 0.56 H new ATOM 0 HD11 ILE A 119 15.890 -6.926 -6.728 1.00 0.69 H new ATOM 0 HD12 ILE A 119 17.170 -7.669 -7.715 1.00 0.69 H new ATOM 0 HD13 ILE A 119 15.618 -8.510 -7.492 1.00 0.69 H new ATOM 2006 N GLY A 120 16.907 -12.774 -5.179 1.00 0.57 N ATOM 2007 CA GLY A 120 17.432 -14.059 -4.788 1.00 0.62 C ATOM 2008 C GLY A 120 18.411 -13.940 -3.642 1.00 0.64 C ATOM 2009 O GLY A 120 19.162 -14.873 -3.352 1.00 0.70 O ATOM 0 H GLY A 120 16.378 -12.289 -4.454 1.00 0.57 H new ATOM 0 HA2 GLY A 120 16.611 -14.714 -4.498 1.00 0.62 H new ATOM 0 HA3 GLY A 120 17.926 -14.525 -5.641 1.00 0.62 H new ATOM 2013 N ILE A 121 18.405 -12.784 -2.993 1.00 0.66 N ATOM 2014 CA ILE A 121 19.269 -12.541 -1.852 1.00 0.71 C ATOM 2015 C ILE A 121 18.699 -13.249 -0.625 1.00 0.82 C ATOM 2016 O ILE A 121 17.518 -13.103 -0.308 1.00 1.54 O ATOM 2017 CB ILE A 121 19.409 -11.028 -1.561 1.00 0.63 C ATOM 2018 CG1 ILE A 121 19.762 -10.258 -2.838 1.00 0.59 C ATOM 2019 CG2 ILE A 121 20.467 -10.788 -0.495 1.00 0.67 C ATOM 2020 CD1 ILE A 121 19.808 -8.752 -2.651 1.00 0.56 C ATOM 0 H ILE A 121 17.806 -11.996 -3.241 1.00 0.66 H new ATOM 0 HA ILE A 121 20.259 -12.932 -2.084 1.00 0.71 H new ATOM 0 HB ILE A 121 18.450 -10.663 -1.193 1.00 0.63 H new ATOM 0 HG12 ILE A 121 20.731 -10.600 -3.201 1.00 0.59 H new ATOM 0 HG13 ILE A 121 19.030 -10.497 -3.610 1.00 0.59 H new ATOM 0 HG21 ILE A 121 20.553 -9.719 -0.302 1.00 0.67 H new ATOM 0 HG22 ILE A 121 20.181 -11.301 0.423 1.00 0.67 H new ATOM 0 HG23 ILE A 121 21.426 -11.173 -0.841 1.00 0.67 H new ATOM 0 HD11 ILE A 121 20.064 -8.276 -3.597 1.00 0.56 H new ATOM 0 HD12 ILE A 121 18.833 -8.397 -2.318 1.00 0.56 H new ATOM 0 HD13 ILE A 121 20.560 -8.501 -1.903 1.00 0.56 H new ATOM 2032 N THR A 122 19.536 -14.017 0.058 1.00 0.96 N ATOM 2033 CA THR A 122 19.087 -14.836 1.178 1.00 1.00 C ATOM 2034 C THR A 122 19.148 -14.059 2.499 1.00 0.90 C ATOM 2035 O THR A 122 19.046 -14.634 3.585 1.00 1.04 O ATOM 2036 CB THR A 122 19.932 -16.129 1.281 1.00 1.18 C ATOM 2037 OG1 THR A 122 19.358 -17.027 2.238 1.00 1.55 O ATOM 2038 CG2 THR A 122 21.371 -15.819 1.671 1.00 1.65 C ATOM 0 H THR A 122 20.533 -14.091 -0.144 1.00 0.96 H new ATOM 0 HA THR A 122 18.048 -15.107 0.992 1.00 1.00 H new ATOM 0 HB THR A 122 19.934 -16.601 0.298 1.00 1.18 H new ATOM 0 HG1 THR A 122 19.058 -16.521 3.022 1.00 1.55 H new ATOM 0 HG21 THR A 122 21.939 -16.747 1.735 1.00 1.65 H new ATOM 0 HG22 THR A 122 21.820 -15.170 0.919 1.00 1.65 H new ATOM 0 HG23 THR A 122 21.386 -15.317 2.639 1.00 1.65 H new ATOM 2046 N ASN A 123 19.280 -12.750 2.398 1.00 0.91 N ATOM 2047 CA ASN A 123 19.381 -11.892 3.567 1.00 0.87 C ATOM 2048 C ASN A 123 18.721 -10.555 3.261 1.00 0.77 C ATOM 2049 O ASN A 123 18.870 -10.025 2.163 1.00 1.05 O ATOM 2050 CB ASN A 123 20.856 -11.695 3.945 1.00 1.10 C ATOM 2051 CG ASN A 123 21.063 -10.987 5.278 1.00 1.31 C ATOM 2052 OD1 ASN A 123 20.259 -10.158 5.702 1.00 2.13 O ATOM 2053 ND2 ASN A 123 22.159 -11.302 5.946 1.00 1.50 N ATOM 0 H ASN A 123 19.320 -12.252 1.509 1.00 0.91 H new ATOM 0 HA ASN A 123 18.872 -12.356 4.412 1.00 0.87 H new ATOM 0 HB2 ASN A 123 21.344 -12.669 3.982 1.00 1.10 H new ATOM 0 HB3 ASN A 123 21.349 -11.121 3.160 1.00 1.10 H new ATOM 0 HD21 ASN A 123 22.358 -10.853 6.840 1.00 1.50 H new ATOM 0 HD22 ASN A 123 22.806 -11.994 5.567 1.00 1.50 H new ATOM 2060 N HIS A 124 17.967 -10.029 4.211 1.00 0.61 N ATOM 2061 CA HIS A 124 17.312 -8.741 4.029 1.00 0.59 C ATOM 2062 C HIS A 124 17.478 -7.872 5.269 1.00 0.57 C ATOM 2063 O HIS A 124 17.004 -6.739 5.312 1.00 0.66 O ATOM 2064 CB HIS A 124 15.822 -8.925 3.714 1.00 0.63 C ATOM 2065 CG HIS A 124 15.012 -9.435 4.867 1.00 0.58 C ATOM 2066 ND1 HIS A 124 14.248 -8.615 5.670 1.00 0.55 N ATOM 2067 CD2 HIS A 124 14.834 -10.691 5.341 1.00 0.66 C ATOM 2068 CE1 HIS A 124 13.640 -9.343 6.584 1.00 0.57 C ATOM 2069 NE2 HIS A 124 13.978 -10.604 6.408 1.00 0.66 N ATOM 0 H HIS A 124 17.792 -10.470 5.114 1.00 0.61 H new ATOM 0 HA HIS A 124 17.787 -8.242 3.185 1.00 0.59 H new ATOM 0 HB2 HIS A 124 15.410 -7.970 3.388 1.00 0.63 H new ATOM 0 HB3 HIS A 124 15.721 -9.617 2.878 1.00 0.63 H new ATOM 0 HD2 HIS A 124 15.283 -11.593 4.951 1.00 0.66 H new ATOM 0 HE1 HIS A 124 12.976 -8.969 7.349 1.00 0.57 H new ATOM 0 HE2 HIS A 124 13.655 -11.389 6.974 1.00 0.66 H new ATOM 2078 N ASP A 125 18.157 -8.402 6.272 1.00 0.62 N ATOM 2079 CA ASP A 125 18.323 -7.699 7.528 1.00 0.72 C ATOM 2080 C ASP A 125 19.644 -6.966 7.531 1.00 0.64 C ATOM 2081 O ASP A 125 19.838 -6.016 8.290 1.00 0.66 O ATOM 2082 CB ASP A 125 18.262 -8.666 8.707 1.00 0.97 C ATOM 2083 CG ASP A 125 16.847 -9.102 9.026 1.00 1.54 C ATOM 2084 OD1 ASP A 125 16.159 -8.396 9.795 1.00 2.11 O ATOM 2085 OD2 ASP A 125 16.417 -10.156 8.511 1.00 2.14 O ATOM 0 H ASP A 125 18.602 -9.319 6.239 1.00 0.62 H new ATOM 0 HA ASP A 125 17.509 -6.982 7.632 1.00 0.72 H new ATOM 0 HB2 ASP A 125 18.868 -9.544 8.484 1.00 0.97 H new ATOM 0 HB3 ASP A 125 18.699 -8.191 9.585 1.00 0.97 H new ATOM 2090 N GLU A 126 20.549 -7.396 6.657 1.00 0.62 N ATOM 2091 CA GLU A 126 21.851 -6.764 6.553 1.00 0.62 C ATOM 2092 C GLU A 126 21.759 -5.479 5.744 1.00 0.52 C ATOM 2093 O GLU A 126 22.766 -4.822 5.491 1.00 0.61 O ATOM 2094 CB GLU A 126 22.885 -7.705 5.933 1.00 0.76 C ATOM 2095 CG GLU A 126 22.564 -8.132 4.518 1.00 1.19 C ATOM 2096 CD GLU A 126 23.763 -8.733 3.815 1.00 1.84 C ATOM 2097 OE1 GLU A 126 24.693 -7.976 3.463 1.00 2.27 O ATOM 2098 OE2 GLU A 126 23.785 -9.961 3.614 1.00 2.30 O ATOM 0 H GLU A 126 20.402 -8.175 6.016 1.00 0.62 H new ATOM 0 HA GLU A 126 22.180 -6.523 7.564 1.00 0.62 H new ATOM 0 HB2 GLU A 126 23.858 -7.213 5.941 1.00 0.76 H new ATOM 0 HB3 GLU A 126 22.972 -8.594 6.558 1.00 0.76 H new ATOM 0 HG2 GLU A 126 21.753 -8.860 4.535 1.00 1.19 H new ATOM 0 HG3 GLU A 126 22.208 -7.271 3.953 1.00 1.19 H new ATOM 2105 N TYR A 127 20.542 -5.108 5.366 1.00 0.43 N ATOM 2106 CA TYR A 127 20.326 -3.956 4.508 1.00 0.38 C ATOM 2107 C TYR A 127 19.429 -2.920 5.165 1.00 0.39 C ATOM 2108 O TYR A 127 18.534 -3.248 5.948 1.00 0.42 O ATOM 2109 CB TYR A 127 19.683 -4.387 3.193 1.00 0.36 C ATOM 2110 CG TYR A 127 20.470 -5.418 2.438 1.00 0.36 C ATOM 2111 CD1 TYR A 127 21.714 -5.114 1.909 1.00 0.38 C ATOM 2112 CD2 TYR A 127 19.973 -6.694 2.261 1.00 0.40 C ATOM 2113 CE1 TYR A 127 22.441 -6.057 1.219 1.00 0.41 C ATOM 2114 CE2 TYR A 127 20.688 -7.646 1.574 1.00 0.43 C ATOM 2115 CZ TYR A 127 21.926 -7.314 1.037 1.00 0.43 C ATOM 2116 OH TYR A 127 22.635 -8.276 0.358 1.00 0.49 O ATOM 0 H TYR A 127 19.688 -5.592 5.643 1.00 0.43 H new ATOM 0 HA TYR A 127 21.304 -3.510 4.325 1.00 0.38 H new ATOM 0 HB2 TYR A 127 18.689 -4.783 3.399 1.00 0.36 H new ATOM 0 HB3 TYR A 127 19.552 -3.510 2.560 1.00 0.36 H new ATOM 0 HD1 TYR A 127 22.119 -4.122 2.040 1.00 0.38 H new ATOM 0 HD2 TYR A 127 19.006 -6.948 2.669 1.00 0.40 H new ATOM 0 HE1 TYR A 127 23.414 -5.807 0.822 1.00 0.41 H new ATOM 0 HE2 TYR A 127 20.291 -8.643 1.453 1.00 0.43 H new ATOM 0 HH TYR A 127 22.401 -9.162 0.706 1.00 0.49 H new ATOM 2126 N SER A 128 19.681 -1.671 4.838 1.00 0.40 N ATOM 2127 CA SER A 128 18.785 -0.583 5.160 1.00 0.42 C ATOM 2128 C SER A 128 18.193 -0.061 3.857 1.00 0.41 C ATOM 2129 O SER A 128 18.552 -0.547 2.782 1.00 0.54 O ATOM 2130 CB SER A 128 19.545 0.516 5.902 1.00 0.47 C ATOM 2131 OG SER A 128 20.793 0.777 5.280 1.00 1.13 O ATOM 0 H SER A 128 20.521 -1.380 4.337 1.00 0.40 H new ATOM 0 HA SER A 128 17.982 -0.924 5.813 1.00 0.42 H new ATOM 0 HB2 SER A 128 18.947 1.427 5.923 1.00 0.47 H new ATOM 0 HB3 SER A 128 19.706 0.217 6.938 1.00 0.47 H new ATOM 0 HG SER A 128 21.261 1.485 5.770 1.00 1.13 H new ATOM 2137 N LEU A 129 17.290 0.902 3.918 1.00 0.42 N ATOM 2138 CA LEU A 129 16.728 1.428 2.685 1.00 0.42 C ATOM 2139 C LEU A 129 16.977 2.923 2.616 1.00 0.43 C ATOM 2140 O LEU A 129 17.016 3.588 3.637 1.00 0.48 O ATOM 2141 CB LEU A 129 15.230 1.101 2.596 1.00 0.43 C ATOM 2142 CG LEU A 129 14.681 0.865 1.178 1.00 0.45 C ATOM 2143 CD1 LEU A 129 13.350 0.138 1.237 1.00 1.33 C ATOM 2144 CD2 LEU A 129 14.512 2.172 0.423 1.00 1.13 C ATOM 0 H LEU A 129 16.939 1.325 4.777 1.00 0.42 H new ATOM 0 HA LEU A 129 17.215 0.957 1.831 1.00 0.42 H new ATOM 0 HB2 LEU A 129 15.035 0.211 3.194 1.00 0.43 H new ATOM 0 HB3 LEU A 129 14.671 1.919 3.051 1.00 0.43 H new ATOM 0 HG LEU A 129 15.407 0.250 0.646 1.00 0.45 H new ATOM 0 HD11 LEU A 129 12.977 -0.020 0.225 1.00 1.33 H new ATOM 0 HD12 LEU A 129 13.483 -0.825 1.730 1.00 1.33 H new ATOM 0 HD13 LEU A 129 12.633 0.737 1.799 1.00 1.33 H new ATOM 0 HD21 LEU A 129 14.123 1.968 -0.574 1.00 1.13 H new ATOM 0 HD22 LEU A 129 13.815 2.815 0.960 1.00 1.13 H new ATOM 0 HD23 LEU A 129 15.477 2.672 0.341 1.00 1.13 H new ATOM 2156 N VAL A 130 17.184 3.439 1.421 1.00 0.42 N ATOM 2157 CA VAL A 130 17.377 4.865 1.233 1.00 0.46 C ATOM 2158 C VAL A 130 16.599 5.330 0.003 1.00 0.46 C ATOM 2159 O VAL A 130 16.854 4.891 -1.118 1.00 0.45 O ATOM 2160 CB VAL A 130 18.884 5.215 1.126 1.00 0.48 C ATOM 2161 CG1 VAL A 130 19.566 4.354 0.094 1.00 0.49 C ATOM 2162 CG2 VAL A 130 19.103 6.678 0.802 1.00 0.60 C ATOM 0 H VAL A 130 17.223 2.891 0.562 1.00 0.42 H new ATOM 0 HA VAL A 130 16.991 5.395 2.104 1.00 0.46 H new ATOM 0 HB VAL A 130 19.325 5.016 2.103 1.00 0.48 H new ATOM 0 HG11 VAL A 130 20.622 4.620 0.039 1.00 0.49 H new ATOM 0 HG12 VAL A 130 19.470 3.305 0.374 1.00 0.49 H new ATOM 0 HG13 VAL A 130 19.100 4.514 -0.878 1.00 0.49 H new ATOM 0 HG21 VAL A 130 20.172 6.880 0.736 1.00 0.60 H new ATOM 0 HG22 VAL A 130 18.630 6.914 -0.151 1.00 0.60 H new ATOM 0 HG23 VAL A 130 18.665 7.294 1.587 1.00 0.60 H new ATOM 2172 N ARG A 131 15.614 6.183 0.228 1.00 0.48 N ATOM 2173 CA ARG A 131 14.746 6.639 -0.842 1.00 0.50 C ATOM 2174 C ARG A 131 15.160 8.012 -1.335 1.00 0.57 C ATOM 2175 O ARG A 131 14.880 9.028 -0.682 1.00 0.64 O ATOM 2176 CB ARG A 131 13.306 6.733 -0.351 1.00 0.54 C ATOM 2177 CG ARG A 131 12.802 5.502 0.368 1.00 0.51 C ATOM 2178 CD ARG A 131 11.340 5.663 0.726 1.00 0.62 C ATOM 2179 NE ARG A 131 10.473 5.599 -0.456 1.00 0.96 N ATOM 2180 CZ ARG A 131 9.643 4.585 -0.722 1.00 1.65 C ATOM 2181 NH1 ARG A 131 9.581 3.541 0.101 1.00 2.18 N ATOM 2182 NH2 ARG A 131 8.877 4.615 -1.811 1.00 2.01 N ATOM 0 H ARG A 131 15.396 6.574 1.145 1.00 0.48 H new ATOM 0 HA ARG A 131 14.827 5.917 -1.654 1.00 0.50 H new ATOM 0 HB2 ARG A 131 13.220 7.589 0.318 1.00 0.54 H new ATOM 0 HB3 ARG A 131 12.657 6.930 -1.205 1.00 0.54 H new ATOM 0 HG2 ARG A 131 12.934 4.624 -0.264 1.00 0.51 H new ATOM 0 HG3 ARG A 131 13.388 5.335 1.272 1.00 0.51 H new ATOM 0 HD2 ARG A 131 11.051 4.882 1.430 1.00 0.62 H new ATOM 0 HD3 ARG A 131 11.194 6.618 1.231 1.00 0.62 H new ATOM 0 HE ARG A 131 10.505 6.376 -1.116 1.00 0.96 H new ATOM 0 HH11 ARG A 131 10.167 3.514 0.935 1.00 2.18 H new ATOM 0 HH12 ARG A 131 8.948 2.768 -0.103 1.00 2.18 H new ATOM 0 HH21 ARG A 131 8.923 5.413 -2.445 1.00 2.01 H new ATOM 0 HH22 ARG A 131 8.245 3.840 -2.011 1.00 2.01 H new ATOM 2196 N GLU A 132 15.803 8.056 -2.482 1.00 0.58 N ATOM 2197 CA GLU A 132 16.095 9.325 -3.109 1.00 0.66 C ATOM 2198 C GLU A 132 14.831 9.887 -3.730 1.00 0.73 C ATOM 2199 O GLU A 132 14.357 9.399 -4.765 1.00 0.74 O ATOM 2200 CB GLU A 132 17.187 9.191 -4.176 1.00 0.68 C ATOM 2201 CG GLU A 132 18.556 8.837 -3.629 1.00 0.64 C ATOM 2202 CD GLU A 132 19.640 8.975 -4.678 1.00 0.72 C ATOM 2203 OE1 GLU A 132 19.662 8.173 -5.633 1.00 0.90 O ATOM 2204 OE2 GLU A 132 20.473 9.900 -4.553 1.00 1.05 O ATOM 0 H GLU A 132 16.130 7.237 -2.994 1.00 0.58 H new ATOM 0 HA GLU A 132 16.464 10.005 -2.341 1.00 0.66 H new ATOM 0 HB2 GLU A 132 16.886 8.426 -4.892 1.00 0.68 H new ATOM 0 HB3 GLU A 132 17.260 10.130 -4.724 1.00 0.68 H new ATOM 0 HG2 GLU A 132 18.786 9.484 -2.783 1.00 0.64 H new ATOM 0 HG3 GLU A 132 18.543 7.814 -3.254 1.00 0.64 H new ATOM 2211 N LEU A 133 14.260 10.895 -3.088 1.00 0.80 N ATOM 2212 CA LEU A 133 13.030 11.474 -3.589 1.00 0.87 C ATOM 2213 C LEU A 133 13.301 12.770 -4.326 1.00 0.97 C ATOM 2214 O LEU A 133 14.439 13.238 -4.428 1.00 1.02 O ATOM 2215 CB LEU A 133 12.026 11.769 -2.471 1.00 0.92 C ATOM 2216 CG LEU A 133 11.798 10.671 -1.431 1.00 0.87 C ATOM 2217 CD1 LEU A 133 10.644 11.060 -0.519 1.00 0.97 C ATOM 2218 CD2 LEU A 133 11.519 9.331 -2.089 1.00 0.80 C ATOM 0 H LEU A 133 14.623 11.320 -2.235 1.00 0.80 H new ATOM 0 HA LEU A 133 12.604 10.732 -4.264 1.00 0.87 H new ATOM 0 HB2 LEU A 133 12.356 12.667 -1.948 1.00 0.92 H new ATOM 0 HB3 LEU A 133 11.066 12.003 -2.932 1.00 0.92 H new ATOM 0 HG LEU A 133 12.709 10.566 -0.841 1.00 0.87 H new ATOM 0 HD11 LEU A 133 10.484 10.275 0.221 1.00 0.97 H new ATOM 0 HD12 LEU A 133 10.881 11.995 -0.011 1.00 0.97 H new ATOM 0 HD13 LEU A 133 9.739 11.189 -1.112 1.00 0.97 H new ATOM 0 HD21 LEU A 133 11.362 8.574 -1.321 1.00 0.80 H new ATOM 0 HD22 LEU A 133 10.626 9.409 -2.709 1.00 0.80 H new ATOM 0 HD23 LEU A 133 12.368 9.047 -2.710 1.00 0.80 H new ATOM 2230 N MET A 134 12.220 13.342 -4.806 1.00 1.04 N ATOM 2231 CA MET A 134 12.221 14.637 -5.462 1.00 1.15 C ATOM 2232 C MET A 134 11.596 15.652 -4.521 1.00 1.22 C ATOM 2233 O MET A 134 11.364 16.802 -4.890 1.00 1.29 O ATOM 2234 CB MET A 134 11.404 14.549 -6.751 1.00 1.27 C ATOM 2235 CG MET A 134 9.985 14.060 -6.504 1.00 1.36 C ATOM 2236 SD MET A 134 8.844 15.379 -6.034 1.00 1.80 S ATOM 2237 CE MET A 134 7.438 14.420 -5.478 1.00 2.03 C ATOM 0 H MET A 134 11.296 12.914 -4.752 1.00 1.04 H new ATOM 0 HA MET A 134 13.239 14.939 -5.707 1.00 1.15 H new ATOM 0 HB2 MET A 134 11.370 15.530 -7.225 1.00 1.27 H new ATOM 0 HB3 MET A 134 11.902 13.875 -7.448 1.00 1.27 H new ATOM 0 HG2 MET A 134 9.614 13.573 -7.406 1.00 1.36 H new ATOM 0 HG3 MET A 134 10.000 13.305 -5.718 1.00 1.36 H new ATOM 0 HE1 MET A 134 6.644 15.093 -5.153 1.00 2.03 H new ATOM 0 HE2 MET A 134 7.075 13.799 -6.297 1.00 2.03 H new ATOM 0 HE3 MET A 134 7.738 13.784 -4.645 1.00 2.03 H new ATOM 2247 N GLU A 135 11.340 15.174 -3.300 1.00 1.27 N ATOM 2248 CA GLU A 135 10.575 15.890 -2.283 1.00 1.39 C ATOM 2249 C GLU A 135 10.812 17.390 -2.305 1.00 1.41 C ATOM 2250 O GLU A 135 11.924 17.867 -2.076 1.00 1.45 O ATOM 2251 CB GLU A 135 10.904 15.331 -0.900 1.00 1.48 C ATOM 2252 CG GLU A 135 9.702 14.730 -0.195 1.00 1.58 C ATOM 2253 CD GLU A 135 8.683 15.777 0.211 1.00 1.83 C ATOM 2254 OE1 GLU A 135 8.111 16.423 -0.690 1.00 2.29 O ATOM 2255 OE2 GLU A 135 8.431 15.941 1.419 1.00 2.04 O ATOM 0 H GLU A 135 11.667 14.260 -2.987 1.00 1.27 H new ATOM 0 HA GLU A 135 9.521 15.735 -2.512 1.00 1.39 H new ATOM 0 HB2 GLU A 135 11.678 14.569 -0.998 1.00 1.48 H new ATOM 0 HB3 GLU A 135 11.318 16.128 -0.282 1.00 1.48 H new ATOM 0 HG2 GLU A 135 9.227 14.001 -0.851 1.00 1.58 H new ATOM 0 HG3 GLU A 135 10.037 14.191 0.691 1.00 1.58 H new ATOM 2262 N GLU A 136 9.735 18.112 -2.572 1.00 1.46 N ATOM 2263 CA GLU A 136 9.755 19.562 -2.645 1.00 1.52 C ATOM 2264 C GLU A 136 9.966 20.170 -1.264 1.00 1.52 C ATOM 2265 O GLU A 136 10.293 21.349 -1.136 1.00 1.59 O ATOM 2266 CB GLU A 136 8.431 20.049 -3.236 1.00 1.67 C ATOM 2267 CG GLU A 136 7.220 19.630 -2.414 1.00 1.73 C ATOM 2268 CD GLU A 136 5.907 20.056 -3.031 1.00 1.93 C ATOM 2269 OE1 GLU A 136 5.514 21.227 -2.861 1.00 2.12 O ATOM 2270 OE2 GLU A 136 5.267 19.226 -3.708 1.00 1.99 O ATOM 0 H GLU A 136 8.816 17.704 -2.745 1.00 1.46 H new ATOM 0 HA GLU A 136 10.582 19.876 -3.282 1.00 1.52 H new ATOM 0 HB2 GLU A 136 8.452 21.136 -3.313 1.00 1.67 H new ATOM 0 HB3 GLU A 136 8.327 19.660 -4.249 1.00 1.67 H new ATOM 0 HG2 GLU A 136 7.225 18.546 -2.298 1.00 1.73 H new ATOM 0 HG3 GLU A 136 7.301 20.058 -1.415 1.00 1.73 H new ATOM 2277 N LYS A 137 9.749 19.364 -0.237 1.00 1.53 N ATOM 2278 CA LYS A 137 9.892 19.816 1.137 1.00 1.61 C ATOM 2279 C LYS A 137 11.213 19.339 1.730 1.00 1.55 C ATOM 2280 O LYS A 137 12.067 20.145 2.100 1.00 1.63 O ATOM 2281 CB LYS A 137 8.725 19.293 1.977 1.00 1.72 C ATOM 2282 CG LYS A 137 7.365 19.718 1.452 1.00 1.83 C ATOM 2283 CD LYS A 137 6.254 18.862 2.029 1.00 2.14 C ATOM 2284 CE LYS A 137 4.912 19.205 1.408 1.00 2.31 C ATOM 2285 NZ LYS A 137 3.892 18.163 1.693 1.00 2.98 N ATOM 0 H LYS A 137 9.471 18.387 -0.331 1.00 1.53 H new ATOM 0 HA LYS A 137 9.886 20.906 1.145 1.00 1.61 H new ATOM 0 HB2 LYS A 137 8.770 18.204 2.009 1.00 1.72 H new ATOM 0 HB3 LYS A 137 8.837 19.647 3.002 1.00 1.72 H new ATOM 0 HG2 LYS A 137 7.188 20.764 1.703 1.00 1.83 H new ATOM 0 HG3 LYS A 137 7.355 19.645 0.365 1.00 1.83 H new ATOM 0 HD2 LYS A 137 6.477 17.809 1.858 1.00 2.14 H new ATOM 0 HD3 LYS A 137 6.205 19.006 3.108 1.00 2.14 H new ATOM 0 HE2 LYS A 137 4.568 20.165 1.792 1.00 2.31 H new ATOM 0 HE3 LYS A 137 5.028 19.316 0.330 1.00 2.31 H new ATOM 0 HZ1 LYS A 137 2.989 18.432 1.253 1.00 2.98 H new ATOM 0 HZ2 LYS A 137 4.209 17.252 1.305 1.00 2.98 H new ATOM 0 HZ3 LYS A 137 3.763 18.075 2.721 1.00 2.98 H new ATOM 2299 N LYS A 138 11.362 18.024 1.832 1.00 1.47 N ATOM 2300 CA LYS A 138 12.554 17.421 2.418 1.00 1.45 C ATOM 2301 C LYS A 138 13.796 17.611 1.555 1.00 1.34 C ATOM 2302 O LYS A 138 14.729 18.322 1.937 1.00 1.43 O ATOM 2303 CB LYS A 138 12.339 15.925 2.604 1.00 1.48 C ATOM 2304 CG LYS A 138 11.050 15.579 3.307 1.00 1.52 C ATOM 2305 CD LYS A 138 10.873 14.083 3.418 1.00 1.58 C ATOM 2306 CE LYS A 138 9.538 13.766 4.042 1.00 1.42 C ATOM 2307 NZ LYS A 138 8.414 13.906 3.078 1.00 1.76 N ATOM 0 H LYS A 138 10.666 17.349 1.514 1.00 1.47 H new ATOM 0 HA LYS A 138 12.716 17.922 3.372 1.00 1.45 H new ATOM 0 HB2 LYS A 138 12.351 15.441 1.627 1.00 1.48 H new ATOM 0 HB3 LYS A 138 13.174 15.515 3.173 1.00 1.48 H new ATOM 0 HG2 LYS A 138 11.045 16.023 4.302 1.00 1.52 H new ATOM 0 HG3 LYS A 138 10.209 16.008 2.762 1.00 1.52 H new ATOM 0 HD2 LYS A 138 10.939 13.627 2.430 1.00 1.58 H new ATOM 0 HD3 LYS A 138 11.675 13.657 4.021 1.00 1.58 H new ATOM 0 HE2 LYS A 138 9.555 12.748 4.431 1.00 1.42 H new ATOM 0 HE3 LYS A 138 9.370 14.429 4.891 1.00 1.42 H new ATOM 0 HZ1 LYS A 138 7.624 14.404 3.536 1.00 1.76 H new ATOM 0 HZ2 LYS A 138 8.732 14.449 2.250 1.00 1.76 H new ATOM 0 HZ3 LYS A 138 8.098 12.963 2.773 1.00 1.76 H new ATOM 2321 N ASP A 169 13.785 16.972 0.386 1.00 1.23 N ATOM 2322 CA ASP A 169 14.997 16.738 -0.391 1.00 1.18 C ATOM 2323 C ASP A 169 15.984 15.961 0.464 1.00 1.11 C ATOM 2324 O ASP A 169 17.010 16.477 0.901 1.00 1.30 O ATOM 2325 CB ASP A 169 15.621 18.040 -0.906 1.00 1.35 C ATOM 2326 CG ASP A 169 16.858 17.793 -1.749 1.00 1.44 C ATOM 2327 OD1 ASP A 169 16.721 17.274 -2.877 1.00 1.48 O ATOM 2328 OD2 ASP A 169 17.974 18.124 -1.297 1.00 1.59 O ATOM 0 H ASP A 169 12.938 16.604 -0.046 1.00 1.23 H new ATOM 0 HA ASP A 169 14.734 16.158 -1.275 1.00 1.18 H new ATOM 0 HB2 ASP A 169 14.884 18.584 -1.497 1.00 1.35 H new ATOM 0 HB3 ASP A 169 15.882 18.675 -0.059 1.00 1.35 H new ATOM 2333 N GLU A 170 15.616 14.724 0.759 1.00 0.96 N ATOM 2334 CA GLU A 170 16.447 13.859 1.571 1.00 0.90 C ATOM 2335 C GLU A 170 16.710 12.540 0.869 1.00 0.78 C ATOM 2336 O GLU A 170 16.046 12.193 -0.125 1.00 0.77 O ATOM 2337 CB GLU A 170 15.785 13.585 2.924 1.00 0.98 C ATOM 2338 CG GLU A 170 15.637 14.814 3.803 1.00 1.24 C ATOM 2339 CD GLU A 170 15.038 14.486 5.154 1.00 1.90 C ATOM 2340 OE1 GLU A 170 15.788 14.066 6.057 1.00 2.27 O ATOM 2341 OE2 GLU A 170 13.811 14.648 5.320 1.00 2.57 O ATOM 0 H GLU A 170 14.744 14.298 0.445 1.00 0.96 H new ATOM 0 HA GLU A 170 17.395 14.373 1.730 1.00 0.90 H new ATOM 0 HB2 GLU A 170 14.799 13.153 2.753 1.00 0.98 H new ATOM 0 HB3 GLU A 170 16.372 12.838 3.459 1.00 0.98 H new ATOM 0 HG2 GLU A 170 16.614 15.277 3.944 1.00 1.24 H new ATOM 0 HG3 GLU A 170 15.007 15.546 3.297 1.00 1.24 H new ATOM 2348 N LEU A 171 17.680 11.811 1.400 1.00 0.73 N ATOM 2349 CA LEU A 171 17.987 10.472 0.943 1.00 0.67 C ATOM 2350 C LEU A 171 16.967 9.512 1.503 1.00 0.62 C ATOM 2351 O LEU A 171 16.817 8.412 1.016 1.00 0.57 O ATOM 2352 CB LEU A 171 19.377 10.047 1.415 1.00 0.71 C ATOM 2353 CG LEU A 171 20.495 11.022 1.089 1.00 0.77 C ATOM 2354 CD1 LEU A 171 21.828 10.507 1.611 1.00 0.86 C ATOM 2355 CD2 LEU A 171 20.561 11.262 -0.409 1.00 0.74 C ATOM 0 H LEU A 171 18.276 12.136 2.162 1.00 0.73 H new ATOM 0 HA LEU A 171 17.964 10.461 -0.147 1.00 0.67 H new ATOM 0 HB2 LEU A 171 19.348 9.900 2.495 1.00 0.71 H new ATOM 0 HB3 LEU A 171 19.616 9.082 0.968 1.00 0.71 H new ATOM 0 HG LEU A 171 20.283 11.970 1.583 1.00 0.77 H new ATOM 0 HD11 LEU A 171 22.615 11.221 1.367 1.00 0.86 H new ATOM 0 HD12 LEU A 171 21.772 10.385 2.693 1.00 0.86 H new ATOM 0 HD13 LEU A 171 22.053 9.546 1.148 1.00 0.86 H new ATOM 0 HD21 LEU A 171 21.366 11.963 -0.630 1.00 0.74 H new ATOM 0 HD22 LEU A 171 20.750 10.318 -0.921 1.00 0.74 H new ATOM 0 HD23 LEU A 171 19.614 11.678 -0.753 1.00 0.74 H new ATOM 2367 N ASN A 172 16.288 9.952 2.551 1.00 0.65 N ATOM 2368 CA ASN A 172 15.263 9.157 3.213 1.00 0.63 C ATOM 2369 C ASN A 172 15.753 7.751 3.515 1.00 0.57 C ATOM 2370 O ASN A 172 15.384 6.797 2.828 1.00 0.53 O ATOM 2371 CB ASN A 172 13.991 9.084 2.365 1.00 0.65 C ATOM 2372 CG ASN A 172 13.311 10.424 2.216 1.00 0.75 C ATOM 2373 OD1 ASN A 172 13.478 11.025 1.058 1.00 0.90 O flip ATOM 2374 ND2 ASN A 172 12.604 10.888 3.109 1.00 0.80 N flip ATOM 0 H ASN A 172 16.432 10.872 2.968 1.00 0.65 H new ATOM 0 HA ASN A 172 15.036 9.654 4.156 1.00 0.63 H new ATOM 0 HB2 ASN A 172 14.240 8.696 1.377 1.00 0.65 H new ATOM 0 HB3 ASN A 172 13.296 8.377 2.820 1.00 0.65 H new ATOM 0 HD21 ASN A 172 12.503 10.387 3.992 1.00 0.80 H new ATOM 0 HD22 ASN A 172 12.118 11.774 2.967 1.00 0.80 H new ATOM 2381 N TRP A 173 16.566 7.606 4.547 1.00 0.58 N ATOM 2382 CA TRP A 173 17.052 6.296 4.936 1.00 0.55 C ATOM 2383 C TRP A 173 16.002 5.624 5.813 1.00 0.54 C ATOM 2384 O TRP A 173 15.811 6.007 6.968 1.00 0.61 O ATOM 2385 CB TRP A 173 18.373 6.414 5.701 1.00 0.60 C ATOM 2386 CG TRP A 173 19.561 6.719 4.841 1.00 0.63 C ATOM 2387 CD1 TRP A 173 19.907 7.930 4.317 1.00 0.72 C ATOM 2388 CD2 TRP A 173 20.578 5.798 4.432 1.00 0.64 C ATOM 2389 NE1 TRP A 173 21.069 7.816 3.599 1.00 0.78 N ATOM 2390 CE2 TRP A 173 21.501 6.518 3.652 1.00 0.73 C ATOM 2391 CE3 TRP A 173 20.793 4.433 4.644 1.00 0.65 C ATOM 2392 CZ2 TRP A 173 22.624 5.919 3.087 1.00 0.80 C ATOM 2393 CZ3 TRP A 173 21.908 3.841 4.083 1.00 0.73 C ATOM 2394 CH2 TRP A 173 22.812 4.583 3.312 1.00 0.79 C ATOM 0 H TRP A 173 16.901 8.375 5.127 1.00 0.58 H new ATOM 0 HA TRP A 173 17.231 5.698 4.042 1.00 0.55 H new ATOM 0 HB2 TRP A 173 18.274 7.196 6.454 1.00 0.60 H new ATOM 0 HB3 TRP A 173 18.555 5.480 6.233 1.00 0.60 H new ATOM 0 HD1 TRP A 173 19.348 8.844 4.449 1.00 0.72 H new ATOM 0 HE1 TRP A 173 21.537 8.576 3.105 1.00 0.78 H new ATOM 0 HE3 TRP A 173 20.100 3.852 5.235 1.00 0.65 H new ATOM 0 HZ2 TRP A 173 23.322 6.489 2.492 1.00 0.80 H new ATOM 0 HZ3 TRP A 173 22.086 2.788 4.242 1.00 0.73 H new ATOM 0 HH2 TRP A 173 23.674 4.091 2.887 1.00 0.79 H new ATOM 2405 N LEU A 174 15.305 4.644 5.255 1.00 0.49 N ATOM 2406 CA LEU A 174 14.212 3.994 5.956 1.00 0.49 C ATOM 2407 C LEU A 174 14.716 3.190 7.141 1.00 0.53 C ATOM 2408 O LEU A 174 15.613 2.337 7.003 1.00 0.56 O ATOM 2409 CB LEU A 174 13.409 3.086 5.026 1.00 0.48 C ATOM 2410 CG LEU A 174 12.696 3.780 3.865 1.00 0.50 C ATOM 2411 CD1 LEU A 174 11.555 2.907 3.373 1.00 0.52 C ATOM 2412 CD2 LEU A 174 12.191 5.152 4.280 1.00 0.54 C ATOM 0 H LEU A 174 15.479 4.283 4.317 1.00 0.49 H new ATOM 0 HA LEU A 174 13.557 4.786 6.320 1.00 0.49 H new ATOM 0 HB2 LEU A 174 14.082 2.333 4.616 1.00 0.48 H new ATOM 0 HB3 LEU A 174 12.664 2.558 5.621 1.00 0.48 H new ATOM 0 HG LEU A 174 13.406 3.925 3.051 1.00 0.50 H new ATOM 0 HD11 LEU A 174 11.048 3.403 2.546 1.00 0.52 H new ATOM 0 HD12 LEU A 174 11.950 1.949 3.035 1.00 0.52 H new ATOM 0 HD13 LEU A 174 10.847 2.741 4.185 1.00 0.52 H new ATOM 0 HD21 LEU A 174 11.688 5.625 3.437 1.00 0.54 H new ATOM 0 HD22 LEU A 174 11.490 5.047 5.108 1.00 0.54 H new ATOM 0 HD23 LEU A 174 13.032 5.770 4.593 1.00 0.54 H new ATOM 2424 N ASP A 175 14.075 3.441 8.280 1.00 0.61 N ATOM 2425 CA ASP A 175 14.483 2.903 9.576 1.00 0.72 C ATOM 2426 C ASP A 175 14.003 1.472 9.766 1.00 0.68 C ATOM 2427 O ASP A 175 14.385 0.807 10.728 1.00 0.75 O ATOM 2428 CB ASP A 175 13.895 3.768 10.697 1.00 0.93 C ATOM 2429 CG ASP A 175 12.396 3.558 10.871 1.00 1.83 C ATOM 2430 OD1 ASP A 175 11.676 3.438 9.851 1.00 2.56 O ATOM 2431 OD2 ASP A 175 11.931 3.496 12.030 1.00 2.37 O ATOM 0 H ASP A 175 13.245 4.032 8.330 1.00 0.61 H new ATOM 0 HA ASP A 175 15.572 2.912 9.610 1.00 0.72 H new ATOM 0 HB2 ASP A 175 14.402 3.537 11.634 1.00 0.93 H new ATOM 0 HB3 ASP A 175 14.089 4.819 10.480 1.00 0.93 H new ATOM 2436 N HIS A 176 13.152 1.018 8.853 1.00 0.66 N ATOM 2437 CA HIS A 176 12.549 -0.311 8.934 1.00 0.71 C ATOM 2438 C HIS A 176 11.542 -0.379 10.072 1.00 0.83 C ATOM 2439 O HIS A 176 11.447 -1.383 10.775 1.00 1.10 O ATOM 2440 CB HIS A 176 13.615 -1.405 9.083 1.00 0.71 C ATOM 2441 CG HIS A 176 14.416 -1.625 7.841 1.00 0.69 C ATOM 2442 ND1 HIS A 176 13.930 -2.306 6.751 1.00 0.77 N ATOM 2443 CD2 HIS A 176 15.662 -1.221 7.503 1.00 0.67 C ATOM 2444 CE1 HIS A 176 14.834 -2.309 5.796 1.00 0.76 C ATOM 2445 NE2 HIS A 176 15.904 -1.662 6.222 1.00 0.69 N ATOM 0 H HIS A 176 12.860 1.557 8.038 1.00 0.66 H new ATOM 0 HA HIS A 176 12.021 -0.491 7.997 1.00 0.71 H new ATOM 0 HB2 HIS A 176 14.288 -1.138 9.898 1.00 0.71 H new ATOM 0 HB3 HIS A 176 13.129 -2.340 9.364 1.00 0.71 H new ATOM 0 HD2 HIS A 176 16.342 -0.656 8.124 1.00 0.67 H new ATOM 0 HE1 HIS A 176 14.720 -2.765 4.824 1.00 0.76 H new ATOM 0 HE2 HIS A 176 16.763 -1.514 5.692 1.00 0.69 H new ATOM 2454 N GLY A 177 10.772 0.687 10.225 1.00 0.82 N ATOM 2455 CA GLY A 177 9.750 0.720 11.256 1.00 0.96 C ATOM 2456 C GLY A 177 8.621 1.671 10.914 1.00 1.00 C ATOM 2457 O GLY A 177 7.450 1.386 11.171 1.00 1.34 O ATOM 0 H GLY A 177 10.834 1.531 9.655 1.00 0.82 H new ATOM 0 HA2 GLY A 177 9.347 -0.283 11.398 1.00 0.96 H new ATOM 0 HA3 GLY A 177 10.201 1.019 12.202 1.00 0.96 H new ATOM 2461 N ARG A 178 8.973 2.799 10.326 1.00 0.90 N ATOM 2462 CA ARG A 178 7.997 3.805 9.942 1.00 0.99 C ATOM 2463 C ARG A 178 7.386 3.469 8.582 1.00 0.87 C ATOM 2464 O ARG A 178 8.084 2.984 7.686 1.00 0.86 O ATOM 2465 CB ARG A 178 8.673 5.178 9.920 1.00 1.22 C ATOM 2466 CG ARG A 178 7.768 6.316 9.494 1.00 1.27 C ATOM 2467 CD ARG A 178 8.388 7.665 9.831 1.00 1.18 C ATOM 2468 NE ARG A 178 9.665 7.880 9.145 1.00 1.23 N ATOM 2469 CZ ARG A 178 10.539 8.833 9.468 1.00 1.74 C ATOM 2470 NH1 ARG A 178 10.330 9.600 10.533 1.00 2.16 N ATOM 2471 NH2 ARG A 178 11.631 9.002 8.732 1.00 2.18 N ATOM 0 H ARG A 178 9.937 3.044 10.102 1.00 0.90 H new ATOM 0 HA ARG A 178 7.186 3.822 10.670 1.00 0.99 H new ATOM 0 HB2 ARG A 178 9.063 5.393 10.915 1.00 1.22 H new ATOM 0 HB3 ARG A 178 9.528 5.138 9.245 1.00 1.22 H new ATOM 0 HG2 ARG A 178 7.583 6.255 8.422 1.00 1.27 H new ATOM 0 HG3 ARG A 178 6.802 6.222 9.990 1.00 1.27 H new ATOM 0 HD2 ARG A 178 7.694 8.459 9.558 1.00 1.18 H new ATOM 0 HD3 ARG A 178 8.541 7.732 10.908 1.00 1.18 H new ATOM 0 HE ARG A 178 9.900 7.260 8.370 1.00 1.23 H new ATOM 0 HH11 ARG A 178 9.498 9.460 11.107 1.00 2.16 H new ATOM 0 HH12 ARG A 178 11.001 10.328 10.777 1.00 2.16 H new ATOM 0 HH21 ARG A 178 11.798 8.404 7.923 1.00 2.18 H new ATOM 0 HH22 ARG A 178 12.303 9.730 8.976 1.00 2.18 H new ATOM 2485 N THR A 179 6.085 3.710 8.430 1.00 0.91 N ATOM 2486 CA THR A 179 5.409 3.413 7.174 1.00 0.89 C ATOM 2487 C THR A 179 5.693 4.501 6.142 1.00 0.86 C ATOM 2488 O THR A 179 6.285 5.534 6.452 1.00 0.91 O ATOM 2489 CB THR A 179 3.882 3.223 7.351 1.00 1.05 C ATOM 2490 OG1 THR A 179 3.280 2.829 6.109 1.00 1.20 O ATOM 2491 CG2 THR A 179 3.216 4.494 7.852 1.00 1.11 C ATOM 0 H THR A 179 5.485 4.106 9.154 1.00 0.91 H new ATOM 0 HA THR A 179 5.810 2.465 6.816 1.00 0.89 H new ATOM 0 HB THR A 179 3.735 2.440 8.095 1.00 1.05 H new ATOM 0 HG1 THR A 179 2.315 2.711 6.236 1.00 1.20 H new ATOM 0 HG21 THR A 179 2.145 4.324 7.964 1.00 1.11 H new ATOM 0 HG22 THR A 179 3.642 4.773 8.816 1.00 1.11 H new ATOM 0 HG23 THR A 179 3.382 5.299 7.136 1.00 1.11 H new ATOM 2499 N LEU A 180 5.249 4.270 4.923 1.00 0.84 N ATOM 2500 CA LEU A 180 5.659 5.074 3.787 1.00 0.84 C ATOM 2501 C LEU A 180 4.797 6.320 3.645 1.00 0.93 C ATOM 2502 O LEU A 180 5.311 7.413 3.408 1.00 0.97 O ATOM 2503 CB LEU A 180 5.588 4.214 2.533 1.00 0.85 C ATOM 2504 CG LEU A 180 6.121 2.793 2.727 1.00 0.83 C ATOM 2505 CD1 LEU A 180 6.038 2.007 1.434 1.00 1.08 C ATOM 2506 CD2 LEU A 180 7.550 2.822 3.261 1.00 0.90 C ATOM 0 H LEU A 180 4.595 3.522 4.691 1.00 0.84 H new ATOM 0 HA LEU A 180 6.682 5.417 3.940 1.00 0.84 H new ATOM 0 HB2 LEU A 180 4.552 4.161 2.199 1.00 0.85 H new ATOM 0 HB3 LEU A 180 6.155 4.699 1.738 1.00 0.85 H new ATOM 0 HG LEU A 180 5.496 2.290 3.465 1.00 0.83 H new ATOM 0 HD11 LEU A 180 6.422 1.000 1.595 1.00 1.08 H new ATOM 0 HD12 LEU A 180 4.999 1.951 1.108 1.00 1.08 H new ATOM 0 HD13 LEU A 180 6.633 2.504 0.667 1.00 1.08 H new ATOM 0 HD21 LEU A 180 7.910 1.802 3.392 1.00 0.90 H new ATOM 0 HD22 LEU A 180 8.192 3.346 2.553 1.00 0.90 H new ATOM 0 HD23 LEU A 180 7.570 3.340 4.220 1.00 0.90 H new ATOM 2518 N ARG A 181 3.492 6.154 3.808 1.00 1.02 N ATOM 2519 CA ARG A 181 2.564 7.279 3.757 1.00 1.13 C ATOM 2520 C ARG A 181 2.889 8.302 4.831 1.00 1.18 C ATOM 2521 O ARG A 181 2.721 9.497 4.628 1.00 1.36 O ATOM 2522 CB ARG A 181 1.132 6.793 3.930 1.00 1.22 C ATOM 2523 CG ARG A 181 0.500 6.274 2.654 1.00 1.15 C ATOM 2524 CD ARG A 181 -0.775 5.515 2.956 1.00 0.69 C ATOM 2525 NE ARG A 181 -0.483 4.254 3.630 1.00 1.10 N ATOM 2526 CZ ARG A 181 -0.743 3.999 4.910 1.00 2.02 C ATOM 2527 NH1 ARG A 181 -1.440 4.860 5.640 1.00 2.54 N ATOM 2528 NH2 ARG A 181 -0.323 2.861 5.448 1.00 2.64 N ATOM 0 H ARG A 181 3.050 5.251 3.977 1.00 1.02 H new ATOM 0 HA ARG A 181 2.668 7.754 2.781 1.00 1.13 H new ATOM 0 HB2 ARG A 181 1.116 6.002 4.680 1.00 1.22 H new ATOM 0 HB3 ARG A 181 0.525 7.612 4.317 1.00 1.22 H new ATOM 0 HG2 ARG A 181 0.283 7.107 1.985 1.00 1.15 H new ATOM 0 HG3 ARG A 181 1.202 5.622 2.134 1.00 1.15 H new ATOM 0 HD2 ARG A 181 -1.426 6.125 3.583 1.00 0.69 H new ATOM 0 HD3 ARG A 181 -1.315 5.320 2.030 1.00 0.69 H new ATOM 0 HE ARG A 181 -0.048 3.514 3.080 1.00 1.10 H new ATOM 0 HH11 ARG A 181 -1.781 5.725 5.221 1.00 2.54 H new ATOM 0 HH12 ARG A 181 -1.635 4.657 6.620 1.00 2.54 H new ATOM 0 HH21 ARG A 181 0.195 2.190 4.881 1.00 2.64 H new ATOM 0 HH22 ARG A 181 -0.518 2.658 6.428 1.00 2.64 H new ATOM 2542 N GLU A 182 3.387 7.824 5.962 1.00 1.11 N ATOM 2543 CA GLU A 182 3.714 8.691 7.087 1.00 1.18 C ATOM 2544 C GLU A 182 4.957 9.521 6.766 1.00 1.16 C ATOM 2545 O GLU A 182 5.217 10.544 7.395 1.00 1.25 O ATOM 2546 CB GLU A 182 3.956 7.839 8.335 1.00 1.25 C ATOM 2547 CG GLU A 182 3.983 8.624 9.635 1.00 1.34 C ATOM 2548 CD GLU A 182 2.635 9.211 9.993 1.00 1.89 C ATOM 2549 OE1 GLU A 182 1.752 8.449 10.442 1.00 2.30 O ATOM 2550 OE2 GLU A 182 2.451 10.435 9.833 1.00 2.31 O ATOM 0 H GLU A 182 3.575 6.835 6.126 1.00 1.11 H new ATOM 0 HA GLU A 182 2.881 9.370 7.272 1.00 1.18 H new ATOM 0 HB2 GLU A 182 3.176 7.080 8.399 1.00 1.25 H new ATOM 0 HB3 GLU A 182 4.904 7.313 8.223 1.00 1.25 H new ATOM 0 HG2 GLU A 182 4.316 7.971 10.442 1.00 1.34 H new ATOM 0 HG3 GLU A 182 4.714 9.428 9.554 1.00 1.34 H new ATOM 2557 N GLN A 183 5.714 9.075 5.772 1.00 1.07 N ATOM 2558 CA GLN A 183 6.943 9.748 5.382 1.00 1.06 C ATOM 2559 C GLN A 183 6.724 10.596 4.137 1.00 1.13 C ATOM 2560 O GLN A 183 7.599 11.361 3.740 1.00 1.22 O ATOM 2561 CB GLN A 183 8.045 8.722 5.125 1.00 1.00 C ATOM 2562 CG GLN A 183 8.310 7.831 6.319 1.00 1.00 C ATOM 2563 CD GLN A 183 9.421 6.829 6.090 1.00 1.04 C ATOM 2564 OE1 GLN A 183 10.586 7.099 6.377 1.00 1.65 O ATOM 2565 NE2 GLN A 183 9.064 5.660 5.586 1.00 0.81 N ATOM 0 H GLN A 183 5.496 8.246 5.220 1.00 1.07 H new ATOM 0 HA GLN A 183 7.247 10.404 6.198 1.00 1.06 H new ATOM 0 HB2 GLN A 183 7.767 8.104 4.271 1.00 1.00 H new ATOM 0 HB3 GLN A 183 8.964 9.243 4.856 1.00 1.00 H new ATOM 0 HG2 GLN A 183 8.564 8.453 7.177 1.00 1.00 H new ATOM 0 HG3 GLN A 183 7.395 7.296 6.573 1.00 1.00 H new ATOM 0 HE21 GLN A 183 8.086 5.478 5.362 1.00 0.81 H new ATOM 0 HE22 GLN A 183 9.767 4.940 5.421 1.00 0.81 H new ATOM 2574 N GLY A 184 5.555 10.454 3.525 1.00 1.16 N ATOM 2575 CA GLY A 184 5.254 11.201 2.320 1.00 1.28 C ATOM 2576 C GLY A 184 6.182 10.837 1.177 1.00 1.23 C ATOM 2577 O GLY A 184 6.681 11.710 0.469 1.00 1.38 O ATOM 0 H GLY A 184 4.810 9.834 3.842 1.00 1.16 H new ATOM 0 HA2 GLY A 184 4.222 11.010 2.024 1.00 1.28 H new ATOM 0 HA3 GLY A 184 5.334 12.268 2.526 1.00 1.28 H new ATOM 2581 N VAL A 185 6.441 9.546 1.025 1.00 1.10 N ATOM 2582 CA VAL A 185 7.276 9.061 -0.059 1.00 1.08 C ATOM 2583 C VAL A 185 6.411 8.524 -1.197 1.00 1.02 C ATOM 2584 O VAL A 185 5.364 7.921 -0.956 1.00 1.15 O ATOM 2585 CB VAL A 185 8.242 7.960 0.427 1.00 1.13 C ATOM 2586 CG1 VAL A 185 9.164 8.501 1.510 1.00 1.31 C ATOM 2587 CG2 VAL A 185 7.478 6.750 0.940 1.00 1.14 C ATOM 0 H VAL A 185 6.083 8.816 1.641 1.00 1.10 H new ATOM 0 HA VAL A 185 7.868 9.901 -0.422 1.00 1.08 H new ATOM 0 HB VAL A 185 8.847 7.644 -0.423 1.00 1.13 H new ATOM 0 HG11 VAL A 185 9.839 7.712 1.841 1.00 1.31 H new ATOM 0 HG12 VAL A 185 9.746 9.332 1.111 1.00 1.31 H new ATOM 0 HG13 VAL A 185 8.569 8.848 2.355 1.00 1.31 H new ATOM 0 HG21 VAL A 185 8.183 5.990 1.276 1.00 1.14 H new ATOM 0 HG22 VAL A 185 6.842 7.048 1.773 1.00 1.14 H new ATOM 0 HG23 VAL A 185 6.860 6.343 0.139 1.00 1.14 H new ATOM 2597 N GLU A 186 6.850 8.735 -2.431 1.00 0.93 N ATOM 2598 CA GLU A 186 6.073 8.340 -3.587 1.00 0.92 C ATOM 2599 C GLU A 186 6.573 7.028 -4.166 1.00 0.83 C ATOM 2600 O GLU A 186 7.503 6.407 -3.645 1.00 0.82 O ATOM 2601 CB GLU A 186 6.106 9.433 -4.659 1.00 1.02 C ATOM 2602 CG GLU A 186 5.282 10.652 -4.305 1.00 1.46 C ATOM 2603 CD GLU A 186 3.814 10.317 -4.154 1.00 2.45 C ATOM 2604 OE1 GLU A 186 3.174 9.945 -5.154 1.00 2.97 O ATOM 2605 OE2 GLU A 186 3.294 10.433 -3.024 1.00 3.02 O ATOM 0 H GLU A 186 7.742 9.178 -2.652 1.00 0.93 H new ATOM 0 HA GLU A 186 5.043 8.198 -3.259 1.00 0.92 H new ATOM 0 HB2 GLU A 186 7.139 9.738 -4.823 1.00 1.02 H new ATOM 0 HB3 GLU A 186 5.742 9.019 -5.600 1.00 1.02 H new ATOM 0 HG2 GLU A 186 5.653 11.084 -3.375 1.00 1.46 H new ATOM 0 HG3 GLU A 186 5.404 11.410 -5.079 1.00 1.46 H new ATOM 2612 N GLU A 187 5.942 6.626 -5.252 1.00 0.89 N ATOM 2613 CA GLU A 187 6.239 5.373 -5.916 1.00 0.91 C ATOM 2614 C GLU A 187 7.248 5.595 -7.034 1.00 0.91 C ATOM 2615 O GLU A 187 8.155 4.798 -7.240 1.00 1.14 O ATOM 2616 CB GLU A 187 4.952 4.819 -6.503 1.00 1.05 C ATOM 2617 CG GLU A 187 3.815 4.732 -5.503 1.00 1.11 C ATOM 2618 CD GLU A 187 2.476 5.055 -6.128 1.00 1.36 C ATOM 2619 OE1 GLU A 187 2.201 6.251 -6.361 1.00 1.86 O ATOM 2620 OE2 GLU A 187 1.692 4.120 -6.395 1.00 1.72 O ATOM 0 H GLU A 187 5.202 7.165 -5.702 1.00 0.89 H new ATOM 0 HA GLU A 187 6.662 4.672 -5.197 1.00 0.91 H new ATOM 0 HB2 GLU A 187 4.643 5.448 -7.338 1.00 1.05 H new ATOM 0 HB3 GLU A 187 5.145 3.826 -6.908 1.00 1.05 H new ATOM 0 HG2 GLU A 187 3.783 3.728 -5.079 1.00 1.11 H new ATOM 0 HG3 GLU A 187 4.005 5.420 -4.679 1.00 1.11 H new ATOM 2627 N HIS A 188 7.079 6.710 -7.739 1.00 0.92 N ATOM 2628 CA HIS A 188 7.924 7.051 -8.888 1.00 0.95 C ATOM 2629 C HIS A 188 9.348 7.419 -8.469 1.00 0.92 C ATOM 2630 O HIS A 188 10.197 7.708 -9.311 1.00 1.01 O ATOM 2631 CB HIS A 188 7.299 8.210 -9.678 1.00 1.04 C ATOM 2632 CG HIS A 188 7.032 9.439 -8.856 1.00 1.03 C ATOM 2633 ND1 HIS A 188 5.765 9.839 -8.499 1.00 1.09 N ATOM 2634 CD2 HIS A 188 7.874 10.349 -8.316 1.00 1.08 C ATOM 2635 CE1 HIS A 188 5.842 10.939 -7.774 1.00 1.14 C ATOM 2636 NE2 HIS A 188 7.111 11.272 -7.648 1.00 1.15 N ATOM 0 H HIS A 188 6.358 7.402 -7.535 1.00 0.92 H new ATOM 0 HA HIS A 188 7.985 6.164 -9.519 1.00 0.95 H new ATOM 0 HB2 HIS A 188 7.963 8.474 -10.501 1.00 1.04 H new ATOM 0 HB3 HIS A 188 6.362 7.871 -10.120 1.00 1.04 H new ATOM 0 HD1 HIS A 188 4.901 9.360 -8.755 1.00 1.09 H new ATOM 0 HD2 HIS A 188 8.951 10.349 -8.396 1.00 1.08 H new ATOM 0 HE1 HIS A 188 5.005 11.477 -7.354 1.00 1.14 H new ATOM 2645 N GLU A 189 9.598 7.402 -7.173 1.00 0.89 N ATOM 2646 CA GLU A 189 10.894 7.770 -6.629 1.00 0.92 C ATOM 2647 C GLU A 189 11.848 6.584 -6.678 1.00 0.78 C ATOM 2648 O GLU A 189 11.437 5.451 -6.436 1.00 0.74 O ATOM 2649 CB GLU A 189 10.719 8.229 -5.187 1.00 1.10 C ATOM 2650 CG GLU A 189 9.675 9.323 -5.025 1.00 1.37 C ATOM 2651 CD GLU A 189 10.146 10.667 -5.535 1.00 1.82 C ATOM 2652 OE1 GLU A 189 10.593 10.749 -6.697 1.00 2.34 O ATOM 2653 OE2 GLU A 189 10.079 11.644 -4.769 1.00 2.38 O ATOM 0 H GLU A 189 8.911 7.134 -6.468 1.00 0.89 H new ATOM 0 HA GLU A 189 11.315 8.579 -7.227 1.00 0.92 H new ATOM 0 HB2 GLU A 189 10.437 7.374 -4.573 1.00 1.10 H new ATOM 0 HB3 GLU A 189 11.676 8.591 -4.810 1.00 1.10 H new ATOM 0 HG2 GLU A 189 8.769 9.035 -5.558 1.00 1.37 H new ATOM 0 HG3 GLU A 189 9.410 9.412 -3.971 1.00 1.37 H new ATOM 2660 N THR A 190 13.106 6.831 -7.021 1.00 0.74 N ATOM 2661 CA THR A 190 14.103 5.770 -7.019 1.00 0.66 C ATOM 2662 C THR A 190 14.593 5.487 -5.602 1.00 0.57 C ATOM 2663 O THR A 190 15.114 6.367 -4.919 1.00 0.61 O ATOM 2664 CB THR A 190 15.302 6.119 -7.922 1.00 0.70 C ATOM 2665 OG1 THR A 190 14.832 6.495 -9.225 1.00 0.81 O ATOM 2666 CG2 THR A 190 16.253 4.933 -8.048 1.00 0.66 C ATOM 0 H THR A 190 13.457 7.747 -7.301 1.00 0.74 H new ATOM 0 HA THR A 190 13.622 4.876 -7.415 1.00 0.66 H new ATOM 0 HB THR A 190 15.842 6.950 -7.469 1.00 0.70 H new ATOM 0 HG1 THR A 190 15.596 6.718 -9.797 1.00 0.81 H new ATOM 0 HG21 THR A 190 17.091 5.205 -8.690 1.00 0.66 H new ATOM 0 HG22 THR A 190 16.626 4.659 -7.061 1.00 0.66 H new ATOM 0 HG23 THR A 190 15.723 4.086 -8.483 1.00 0.66 H new ATOM 2674 N LEU A 191 14.421 4.248 -5.173 1.00 0.48 N ATOM 2675 CA LEU A 191 14.834 3.835 -3.846 1.00 0.42 C ATOM 2676 C LEU A 191 16.043 2.923 -3.989 1.00 0.39 C ATOM 2677 O LEU A 191 16.071 2.064 -4.871 1.00 0.38 O ATOM 2678 CB LEU A 191 13.709 3.092 -3.098 1.00 0.41 C ATOM 2679 CG LEU A 191 12.300 3.718 -3.138 1.00 0.51 C ATOM 2680 CD1 LEU A 191 12.353 5.237 -3.127 1.00 1.01 C ATOM 2681 CD2 LEU A 191 11.514 3.217 -4.335 1.00 0.82 C ATOM 0 H LEU A 191 13.995 3.507 -5.730 1.00 0.48 H new ATOM 0 HA LEU A 191 15.079 4.722 -3.262 1.00 0.42 H new ATOM 0 HB2 LEU A 191 13.642 2.083 -3.506 1.00 0.41 H new ATOM 0 HB3 LEU A 191 14.005 2.995 -2.054 1.00 0.41 H new ATOM 0 HG LEU A 191 11.784 3.402 -2.231 1.00 0.51 H new ATOM 0 HD11 LEU A 191 11.339 5.637 -3.156 1.00 1.01 H new ATOM 0 HD12 LEU A 191 12.851 5.577 -2.219 1.00 1.01 H new ATOM 0 HD13 LEU A 191 12.907 5.588 -3.998 1.00 1.01 H new ATOM 0 HD21 LEU A 191 10.525 3.675 -4.338 1.00 0.82 H new ATOM 0 HD22 LEU A 191 12.039 3.483 -5.252 1.00 0.82 H new ATOM 0 HD23 LEU A 191 11.412 2.133 -4.276 1.00 0.82 H new ATOM 2693 N LEU A 192 17.047 3.100 -3.157 1.00 0.39 N ATOM 2694 CA LEU A 192 18.276 2.345 -3.309 1.00 0.41 C ATOM 2695 C LEU A 192 18.435 1.371 -2.152 1.00 0.40 C ATOM 2696 O LEU A 192 18.194 1.725 -0.995 1.00 0.44 O ATOM 2697 CB LEU A 192 19.470 3.297 -3.349 1.00 0.44 C ATOM 2698 CG LEU A 192 19.203 4.643 -4.028 1.00 0.49 C ATOM 2699 CD1 LEU A 192 20.350 5.599 -3.771 1.00 0.56 C ATOM 2700 CD2 LEU A 192 18.987 4.469 -5.523 1.00 0.50 C ATOM 0 H LEU A 192 17.039 3.754 -2.374 1.00 0.39 H new ATOM 0 HA LEU A 192 18.233 1.785 -4.243 1.00 0.41 H new ATOM 0 HB2 LEU A 192 19.802 3.482 -2.327 1.00 0.44 H new ATOM 0 HB3 LEU A 192 20.292 2.803 -3.867 1.00 0.44 H new ATOM 0 HG LEU A 192 18.292 5.062 -3.601 1.00 0.49 H new ATOM 0 HD11 LEU A 192 20.146 6.552 -4.260 1.00 0.56 H new ATOM 0 HD12 LEU A 192 20.458 5.758 -2.698 1.00 0.56 H new ATOM 0 HD13 LEU A 192 21.272 5.177 -4.170 1.00 0.56 H new ATOM 0 HD21 LEU A 192 18.800 5.441 -5.979 1.00 0.50 H new ATOM 0 HD22 LEU A 192 19.876 4.024 -5.970 1.00 0.50 H new ATOM 0 HD23 LEU A 192 18.130 3.817 -5.693 1.00 0.50 H new ATOM 2712 N LEU A 193 18.803 0.143 -2.463 1.00 0.43 N ATOM 2713 CA LEU A 193 19.081 -0.843 -1.439 1.00 0.50 C ATOM 2714 C LEU A 193 20.532 -0.710 -0.978 1.00 0.47 C ATOM 2715 O LEU A 193 21.463 -0.800 -1.781 1.00 0.49 O ATOM 2716 CB LEU A 193 18.782 -2.247 -1.984 1.00 0.68 C ATOM 2717 CG LEU A 193 18.844 -3.392 -0.968 1.00 0.44 C ATOM 2718 CD1 LEU A 193 17.886 -4.498 -1.364 1.00 1.09 C ATOM 2719 CD2 LEU A 193 20.251 -3.952 -0.875 1.00 1.03 C ATOM 0 H LEU A 193 18.916 -0.195 -3.419 1.00 0.43 H new ATOM 0 HA LEU A 193 18.440 -0.676 -0.573 1.00 0.50 H new ATOM 0 HB2 LEU A 193 17.787 -2.237 -2.430 1.00 0.68 H new ATOM 0 HB3 LEU A 193 19.488 -2.461 -2.786 1.00 0.68 H new ATOM 0 HG LEU A 193 18.556 -2.996 0.006 1.00 0.44 H new ATOM 0 HD11 LEU A 193 17.940 -5.305 -0.634 1.00 1.09 H new ATOM 0 HD12 LEU A 193 16.870 -4.105 -1.396 1.00 1.09 H new ATOM 0 HD13 LEU A 193 18.158 -4.880 -2.348 1.00 1.09 H new ATOM 0 HD21 LEU A 193 20.272 -4.764 -0.148 1.00 1.03 H new ATOM 0 HD22 LEU A 193 20.557 -4.330 -1.850 1.00 1.03 H new ATOM 0 HD23 LEU A 193 20.936 -3.165 -0.560 1.00 1.03 H new ATOM 2731 N ARG A 194 20.711 -0.478 0.311 1.00 0.46 N ATOM 2732 CA ARG A 194 22.031 -0.278 0.891 1.00 0.46 C ATOM 2733 C ARG A 194 22.270 -1.323 1.955 1.00 0.44 C ATOM 2734 O ARG A 194 21.334 -1.741 2.629 1.00 0.49 O ATOM 2735 CB ARG A 194 22.144 1.104 1.536 1.00 0.53 C ATOM 2736 CG ARG A 194 22.036 2.270 0.570 1.00 0.60 C ATOM 2737 CD ARG A 194 23.204 2.323 -0.398 1.00 0.65 C ATOM 2738 NE ARG A 194 24.496 2.255 0.286 1.00 0.69 N ATOM 2739 CZ ARG A 194 25.661 2.534 -0.297 1.00 0.95 C ATOM 2740 NH1 ARG A 194 25.697 2.955 -1.555 1.00 1.25 N ATOM 2741 NH2 ARG A 194 26.789 2.396 0.385 1.00 1.06 N ATOM 0 H ARG A 194 19.948 -0.423 0.985 1.00 0.46 H new ATOM 0 HA ARG A 194 22.770 -0.359 0.094 1.00 0.46 H new ATOM 0 HB2 ARG A 194 21.363 1.202 2.290 1.00 0.53 H new ATOM 0 HB3 ARG A 194 23.100 1.169 2.056 1.00 0.53 H new ATOM 0 HG2 ARG A 194 21.105 2.190 0.009 1.00 0.60 H new ATOM 0 HG3 ARG A 194 21.990 3.203 1.132 1.00 0.60 H new ATOM 0 HD2 ARG A 194 23.125 1.496 -1.104 1.00 0.65 H new ATOM 0 HD3 ARG A 194 23.151 3.244 -0.978 1.00 0.65 H new ATOM 0 HE ARG A 194 24.505 1.977 1.267 1.00 0.69 H new ATOM 0 HH11 ARG A 194 24.830 3.066 -2.081 1.00 1.25 H new ATOM 0 HH12 ARG A 194 26.592 3.167 -1.996 1.00 1.25 H new ATOM 0 HH21 ARG A 194 26.764 2.077 1.353 1.00 1.06 H new ATOM 0 HH22 ARG A 194 27.682 2.609 -0.059 1.00 1.06 H new ATOM 2755 N ARG A 195 23.502 -1.752 2.119 1.00 0.45 N ATOM 2756 CA ARG A 195 23.793 -2.700 3.170 1.00 0.50 C ATOM 2757 C ARG A 195 24.264 -1.974 4.424 1.00 0.55 C ATOM 2758 O ARG A 195 25.142 -1.105 4.381 1.00 0.64 O ATOM 2759 CB ARG A 195 24.795 -3.759 2.708 1.00 0.59 C ATOM 2760 CG ARG A 195 26.233 -3.289 2.580 1.00 1.02 C ATOM 2761 CD ARG A 195 27.071 -4.309 1.825 1.00 1.07 C ATOM 2762 NE ARG A 195 26.609 -5.684 2.046 1.00 1.49 N ATOM 2763 CZ ARG A 195 26.763 -6.666 1.153 1.00 2.13 C ATOM 2764 NH1 ARG A 195 27.377 -6.428 -0.001 1.00 2.34 N ATOM 2765 NH2 ARG A 195 26.273 -7.874 1.403 1.00 2.68 N ATOM 0 H ARG A 195 24.301 -1.468 1.553 1.00 0.45 H new ATOM 0 HA ARG A 195 22.874 -3.230 3.419 1.00 0.50 H new ATOM 0 HB2 ARG A 195 24.765 -4.593 3.410 1.00 0.59 H new ATOM 0 HB3 ARG A 195 24.470 -4.144 1.741 1.00 0.59 H new ATOM 0 HG2 ARG A 195 26.262 -2.332 2.060 1.00 1.02 H new ATOM 0 HG3 ARG A 195 26.656 -3.126 3.571 1.00 1.02 H new ATOM 0 HD2 ARG A 195 27.039 -4.084 0.759 1.00 1.07 H new ATOM 0 HD3 ARG A 195 28.112 -4.223 2.137 1.00 1.07 H new ATOM 0 HE ARG A 195 26.146 -5.902 2.928 1.00 1.49 H new ATOM 0 HH11 ARG A 195 27.732 -5.494 -0.207 1.00 2.34 H new ATOM 0 HH12 ARG A 195 27.493 -7.179 -0.681 1.00 2.34 H new ATOM 0 HH21 ARG A 195 25.779 -8.053 2.277 1.00 2.68 H new ATOM 0 HH22 ARG A 195 26.391 -8.623 0.721 1.00 2.68 H new ATOM 2779 N LYS A 196 23.632 -2.313 5.532 1.00 0.60 N ATOM 2780 CA LYS A 196 23.927 -1.710 6.819 1.00 0.69 C ATOM 2781 C LYS A 196 24.997 -2.533 7.529 1.00 0.76 C ATOM 2782 O LYS A 196 25.687 -2.056 8.433 1.00 0.88 O ATOM 2783 CB LYS A 196 22.640 -1.640 7.649 1.00 0.75 C ATOM 2784 CG LYS A 196 22.810 -1.032 9.031 1.00 0.88 C ATOM 2785 CD LYS A 196 21.471 -0.879 9.740 1.00 1.28 C ATOM 2786 CE LYS A 196 20.719 -2.198 9.815 1.00 1.65 C ATOM 2787 NZ LYS A 196 19.434 -2.067 10.550 1.00 2.15 N ATOM 0 H LYS A 196 22.896 -3.018 5.565 1.00 0.60 H new ATOM 0 HA LYS A 196 24.307 -0.697 6.685 1.00 0.69 H new ATOM 0 HB2 LYS A 196 21.900 -1.058 7.099 1.00 0.75 H new ATOM 0 HB3 LYS A 196 22.238 -2.647 7.757 1.00 0.75 H new ATOM 0 HG2 LYS A 196 23.470 -1.661 9.628 1.00 0.88 H new ATOM 0 HG3 LYS A 196 23.291 -0.058 8.945 1.00 0.88 H new ATOM 0 HD2 LYS A 196 21.635 -0.496 10.747 1.00 1.28 H new ATOM 0 HD3 LYS A 196 20.863 -0.143 9.214 1.00 1.28 H new ATOM 0 HE2 LYS A 196 20.524 -2.562 8.806 1.00 1.65 H new ATOM 0 HE3 LYS A 196 21.343 -2.944 10.307 1.00 1.65 H new ATOM 0 HZ1 LYS A 196 18.954 -2.989 10.577 1.00 2.15 H new ATOM 0 HZ2 LYS A 196 19.621 -1.745 11.521 1.00 2.15 H new ATOM 0 HZ3 LYS A 196 18.827 -1.375 10.067 1.00 2.15 H new ATOM 2801 N PHE A 197 25.124 -3.777 7.097 1.00 0.77 N ATOM 2802 CA PHE A 197 26.155 -4.669 7.593 1.00 0.89 C ATOM 2803 C PHE A 197 27.038 -5.099 6.434 1.00 0.96 C ATOM 2804 O PHE A 197 26.665 -4.942 5.272 1.00 0.92 O ATOM 2805 CB PHE A 197 25.546 -5.919 8.225 1.00 0.95 C ATOM 2806 CG PHE A 197 24.589 -5.662 9.354 1.00 0.94 C ATOM 2807 CD1 PHE A 197 23.261 -5.402 9.090 1.00 0.92 C ATOM 2808 CD2 PHE A 197 25.007 -5.730 10.670 1.00 1.14 C ATOM 2809 CE1 PHE A 197 22.355 -5.213 10.110 1.00 0.95 C ATOM 2810 CE2 PHE A 197 24.109 -5.531 11.703 1.00 1.19 C ATOM 2811 CZ PHE A 197 22.780 -5.274 11.423 1.00 1.03 C ATOM 0 H PHE A 197 24.515 -4.195 6.393 1.00 0.77 H new ATOM 0 HA PHE A 197 26.733 -4.137 8.349 1.00 0.89 H new ATOM 0 HB2 PHE A 197 25.026 -6.482 7.450 1.00 0.95 H new ATOM 0 HB3 PHE A 197 26.354 -6.552 8.592 1.00 0.95 H new ATOM 0 HD1 PHE A 197 22.925 -5.346 8.065 1.00 0.92 H new ATOM 0 HD2 PHE A 197 26.043 -5.940 10.893 1.00 1.14 H new ATOM 0 HE1 PHE A 197 21.317 -5.018 9.884 1.00 0.95 H new ATOM 0 HE2 PHE A 197 24.446 -5.576 12.728 1.00 1.19 H new ATOM 0 HZ PHE A 197 22.076 -5.121 12.228 1.00 1.03 H new