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 123 ASN : amide:sc= -0.32 K(o=-0.29,f=-0.95) USER MOD Set 1.2: A 127 TYR OH : rot 30:sc= 0.0348 USER MOD Set 2.1: A 109 THR OG1 : rot 102:sc= -0.219 USER MOD Set 2.2: A 176 HIS : no HE2:sc= -6.36! C(o=-6.6!,f=-9.7!) USER MOD Set 3.1: A 83 LYS NZ :NH3+ -179:sc= 0.629 (180deg=0.556) USER MOD Set 3.2: A 85 GLN : amide:sc= 1.14 K(o=1.8,f=-2.6!) USER MOD Set 4.1: A 29 CYS SG : rot 180:sc= 1.07 USER MOD Set 4.2: A 81 TYR OH : rot 5:sc= 1.34 USER MOD Set 5.1: A 5 SER OG : rot 68:sc= 1.21 USER MOD Set 5.2: A 75 ASN : amide:sc= 0.667 K(o=1.9,f=-3.5) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 12 ASN : amide:sc= -0.409 K(o=-0.41,f=-5.3!) USER MOD Single : A 15 LYS NZ :NH3+ 158:sc= 1.19 (180deg=0.34) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 179:sc= -2.74! (180deg=-2.78!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -140:sc= -0.343 USER MOD Single : A 24 MET CE :methyl 171:sc= -0.253 (180deg=-0.442) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -179:sc= -2.14 (180deg=-2.19) USER MOD Single : A 45 ASN : amide:sc=-0.00384 K(o=-0.0038,f=-0.81) USER MOD Single : A 52 SER OG : rot 39:sc= -0.323 USER MOD Single : A 57 LYS NZ :NH3+ -167:sc= -0.0217 (180deg=-0.2) USER MOD Single : A 58 LYS NZ :NH3+ -141:sc= -0.126 (180deg=-0.745) USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= 0.182! (180deg=-0.578) 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= -0.133 (180deg=-0.642) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 137:sc= -3.24! (180deg=-6.56!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 152:sc= -0.146 (180deg=-0.684) USER MOD Single : A 92 MET CE :methyl 133:sc= -3.72! (180deg=-6.53!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -125:sc= -1.06 (180deg=-2.96!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -1.77! USER MOD Single : A 101 MET CE :methyl -171:sc= -1.4 (180deg=-1.51) USER MOD Single : A 105 SER OG : rot -67:sc= 1.69 USER MOD Single : A 106 LYS NZ :NH3+ -157:sc= -0.784 (180deg=-1.82!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 171:sc= -5.26! (180deg=-5.75!) USER MOD Single : A 113 MET CE :methyl 164:sc= -0.05 (180deg=-0.406) USER MOD Single : A 114 THR OG1 : rot 79:sc= 0.412 USER MOD Single : A 116 CYS SG : rot 130:sc= -0.775 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.00201 USER MOD Single : A 124 HIS : no HD1:sc= -1.76 X(o=-1.8,f=-1.7) USER MOD Single : A 128 SER OG : rot 127:sc= 0.101 USER MOD Single : A 134 MET CE :methyl -162:sc= 0 (180deg=-0.638) USER MOD Single : A 137 LYS NZ :NH3+ -103:sc= 1.12 (180deg=-0.484) USER MOD Single : A 138 LYS NZ :NH3+ 167:sc= -1.33! (180deg=-2.04!) USER MOD Single : A 172 ASN : amide:sc= -3.05! C(o=-3.1!,f=-6.9!) USER MOD Single : A 179 THR OG1 : rot 60:sc= 0.844 USER MOD Single : A 183 GLN : amide:sc= -2.6! C(o=-2.6!,f=-4.8!) USER MOD Single : A 188 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-2.4!) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 196 LYS NZ :NH3+ 162:sc= -0.0714 (180deg=-0.388) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 -28.417 -0.739 7.962 1.00 1.00 N ATOM 107 CA VAL A 2 -27.046 -0.550 8.371 1.00 0.98 C ATOM 108 C VAL A 2 -26.181 -0.621 7.125 1.00 0.79 C ATOM 109 O VAL A 2 -25.603 -1.656 6.804 1.00 0.92 O ATOM 110 CB VAL A 2 -26.574 -1.600 9.413 1.00 1.21 C ATOM 111 CG1 VAL A 2 -27.102 -1.269 10.800 1.00 1.56 C ATOM 112 CG2 VAL A 2 -27.006 -3.004 9.011 1.00 1.32 C ATOM 0 HA VAL A 2 -26.959 0.419 8.862 1.00 0.98 H new ATOM 0 HB VAL A 2 -25.485 -1.567 9.440 1.00 1.21 H new ATOM 0 HG11 VAL A 2 -26.756 -2.020 11.510 1.00 1.56 H new ATOM 0 HG12 VAL A 2 -26.737 -0.288 11.104 1.00 1.56 H new ATOM 0 HG13 VAL A 2 -28.192 -1.261 10.782 1.00 1.56 H new ATOM 0 HG21 VAL A 2 -26.662 -3.719 9.759 1.00 1.32 H new ATOM 0 HG22 VAL A 2 -28.093 -3.045 8.943 1.00 1.32 H new ATOM 0 HG23 VAL A 2 -26.573 -3.255 8.043 1.00 1.32 H new ATOM 122 N ALA A 3 -26.143 0.469 6.386 1.00 0.66 N ATOM 123 CA ALA A 3 -25.437 0.490 5.121 1.00 0.55 C ATOM 124 C ALA A 3 -24.715 1.802 4.922 1.00 0.60 C ATOM 125 O ALA A 3 -25.238 2.872 5.233 1.00 1.10 O ATOM 126 CB ALA A 3 -26.394 0.231 3.966 1.00 0.63 C ATOM 0 H ALA A 3 -26.591 1.350 6.638 1.00 0.66 H new ATOM 0 HA ALA A 3 -24.693 -0.307 5.141 1.00 0.55 H new ATOM 0 HB1 ALA A 3 -25.843 0.251 3.026 1.00 0.63 H new ATOM 0 HB2 ALA A 3 -26.861 -0.746 4.092 1.00 0.63 H new ATOM 0 HB3 ALA A 3 -27.164 1.002 3.952 1.00 0.63 H new ATOM 132 N LEU A 4 -23.515 1.700 4.397 1.00 0.45 N ATOM 133 CA LEU A 4 -22.687 2.849 4.108 1.00 0.41 C ATOM 134 C LEU A 4 -22.525 2.982 2.604 1.00 0.39 C ATOM 135 O LEU A 4 -22.223 2.006 1.920 1.00 0.38 O ATOM 136 CB LEU A 4 -21.317 2.698 4.778 1.00 0.41 C ATOM 137 CG LEU A 4 -21.179 3.305 6.181 1.00 0.56 C ATOM 138 CD1 LEU A 4 -22.354 2.953 7.074 1.00 1.16 C ATOM 139 CD2 LEU A 4 -19.886 2.836 6.819 1.00 1.46 C ATOM 0 H LEU A 4 -23.082 0.808 4.156 1.00 0.45 H new ATOM 0 HA LEU A 4 -23.164 3.747 4.502 1.00 0.41 H new ATOM 0 HB2 LEU A 4 -21.081 1.636 4.839 1.00 0.41 H new ATOM 0 HB3 LEU A 4 -20.567 3.154 4.132 1.00 0.41 H new ATOM 0 HG LEU A 4 -21.166 4.389 6.071 1.00 0.56 H new ATOM 0 HD11 LEU A 4 -22.213 3.404 8.056 1.00 1.16 H new ATOM 0 HD12 LEU A 4 -23.275 3.332 6.630 1.00 1.16 H new ATOM 0 HD13 LEU A 4 -22.420 1.870 7.178 1.00 1.16 H new ATOM 0 HD21 LEU A 4 -19.793 3.270 7.815 1.00 1.46 H new ATOM 0 HD22 LEU A 4 -19.892 1.749 6.896 1.00 1.46 H new ATOM 0 HD23 LEU A 4 -19.042 3.152 6.206 1.00 1.46 H new ATOM 151 N SER A 5 -22.721 4.184 2.099 1.00 0.41 N ATOM 152 CA SER A 5 -22.622 4.428 0.672 1.00 0.42 C ATOM 153 C SER A 5 -21.212 4.883 0.341 1.00 0.37 C ATOM 154 O SER A 5 -20.838 6.025 0.610 1.00 0.42 O ATOM 155 CB SER A 5 -23.652 5.468 0.226 1.00 0.51 C ATOM 156 OG SER A 5 -24.970 5.003 0.460 1.00 1.28 O ATOM 0 H SER A 5 -22.950 5.008 2.655 1.00 0.41 H new ATOM 0 HA SER A 5 -22.835 3.505 0.133 1.00 0.42 H new ATOM 0 HB2 SER A 5 -23.490 6.401 0.765 1.00 0.51 H new ATOM 0 HB3 SER A 5 -23.521 5.685 -0.834 1.00 0.51 H new ATOM 0 HG SER A 5 -25.130 4.944 1.425 1.00 1.28 H new ATOM 162 N LEU A 6 -20.424 3.974 -0.213 1.00 0.31 N ATOM 163 CA LEU A 6 -19.016 4.233 -0.437 1.00 0.28 C ATOM 164 C LEU A 6 -18.710 4.235 -1.926 1.00 0.28 C ATOM 165 O LEU A 6 -19.061 3.296 -2.645 1.00 0.31 O ATOM 166 CB LEU A 6 -18.170 3.170 0.274 1.00 0.26 C ATOM 167 CG LEU A 6 -18.540 2.919 1.742 1.00 0.33 C ATOM 168 CD1 LEU A 6 -17.633 1.868 2.356 1.00 0.61 C ATOM 169 CD2 LEU A 6 -18.478 4.208 2.542 1.00 0.62 C ATOM 0 H LEU A 6 -20.739 3.052 -0.515 1.00 0.31 H new ATOM 0 HA LEU A 6 -18.770 5.214 -0.030 1.00 0.28 H new ATOM 0 HB2 LEU A 6 -18.259 2.231 -0.273 1.00 0.26 H new ATOM 0 HB3 LEU A 6 -17.123 3.469 0.225 1.00 0.26 H new ATOM 0 HG LEU A 6 -19.564 2.546 1.771 1.00 0.33 H new ATOM 0 HD11 LEU A 6 -17.915 1.707 3.397 1.00 0.61 H new ATOM 0 HD12 LEU A 6 -17.734 0.933 1.804 1.00 0.61 H new ATOM 0 HD13 LEU A 6 -16.598 2.208 2.308 1.00 0.61 H new ATOM 0 HD21 LEU A 6 -18.744 4.006 3.579 1.00 0.62 H new ATOM 0 HD22 LEU A 6 -17.468 4.614 2.499 1.00 0.62 H new ATOM 0 HD23 LEU A 6 -19.178 4.931 2.122 1.00 0.62 H new ATOM 181 N LYS A 7 -18.079 5.300 -2.391 1.00 0.29 N ATOM 182 CA LYS A 7 -17.655 5.370 -3.777 1.00 0.31 C ATOM 183 C LYS A 7 -16.355 4.619 -3.962 1.00 0.29 C ATOM 184 O LYS A 7 -15.327 4.994 -3.409 1.00 0.31 O ATOM 185 CB LYS A 7 -17.497 6.813 -4.249 1.00 0.39 C ATOM 186 CG LYS A 7 -18.799 7.443 -4.705 1.00 0.52 C ATOM 187 CD LYS A 7 -18.561 8.782 -5.379 1.00 0.63 C ATOM 188 CE LYS A 7 -19.807 9.249 -6.109 1.00 0.94 C ATOM 189 NZ LYS A 7 -19.620 10.575 -6.751 1.00 1.72 N ATOM 0 H LYS A 7 -17.851 6.122 -1.833 1.00 0.29 H new ATOM 0 HA LYS A 7 -18.432 4.906 -4.384 1.00 0.31 H new ATOM 0 HB2 LYS A 7 -17.078 7.409 -3.438 1.00 0.39 H new ATOM 0 HB3 LYS A 7 -16.780 6.843 -5.070 1.00 0.39 H new ATOM 0 HG2 LYS A 7 -19.307 6.771 -5.397 1.00 0.52 H new ATOM 0 HG3 LYS A 7 -19.459 7.578 -3.848 1.00 0.52 H new ATOM 0 HD2 LYS A 7 -18.272 9.523 -4.633 1.00 0.63 H new ATOM 0 HD3 LYS A 7 -17.733 8.698 -6.082 1.00 0.63 H new ATOM 0 HE2 LYS A 7 -20.077 8.515 -6.868 1.00 0.94 H new ATOM 0 HE3 LYS A 7 -20.639 9.302 -5.406 1.00 0.94 H new ATOM 0 HZ1 LYS A 7 -20.497 10.852 -7.237 1.00 1.72 H new ATOM 0 HZ2 LYS A 7 -19.388 11.283 -6.025 1.00 1.72 H new ATOM 0 HZ3 LYS A 7 -18.844 10.520 -7.441 1.00 1.72 H new ATOM 203 N ILE A 8 -16.414 3.557 -4.735 1.00 0.28 N ATOM 204 CA ILE A 8 -15.255 2.736 -4.994 1.00 0.28 C ATOM 205 C ILE A 8 -14.510 3.258 -6.212 1.00 0.31 C ATOM 206 O ILE A 8 -14.933 3.053 -7.352 1.00 0.34 O ATOM 207 CB ILE A 8 -15.648 1.264 -5.235 1.00 0.33 C ATOM 208 CG1 ILE A 8 -16.518 0.738 -4.086 1.00 0.58 C ATOM 209 CG2 ILE A 8 -14.402 0.410 -5.396 1.00 0.32 C ATOM 210 CD1 ILE A 8 -15.846 0.794 -2.730 1.00 0.51 C ATOM 0 H ILE A 8 -17.265 3.240 -5.200 1.00 0.28 H new ATOM 0 HA ILE A 8 -14.613 2.784 -4.114 1.00 0.28 H new ATOM 0 HB ILE A 8 -16.232 1.207 -6.154 1.00 0.33 H new ATOM 0 HG12 ILE A 8 -17.440 1.318 -4.047 1.00 0.58 H new ATOM 0 HG13 ILE A 8 -16.798 -0.294 -4.299 1.00 0.58 H new ATOM 0 HG21 ILE A 8 -14.691 -0.627 -5.566 1.00 0.32 H new ATOM 0 HG22 ILE A 8 -13.822 0.769 -6.247 1.00 0.32 H new ATOM 0 HG23 ILE A 8 -13.797 0.475 -4.492 1.00 0.32 H new ATOM 0 HD11 ILE A 8 -16.525 0.405 -1.971 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -14.938 0.191 -2.749 1.00 0.51 H new ATOM 0 HD13 ILE A 8 -15.590 1.827 -2.493 1.00 0.51 H new ATOM 222 N SER A 9 -13.420 3.956 -5.968 1.00 0.33 N ATOM 223 CA SER A 9 -12.602 4.479 -7.041 1.00 0.39 C ATOM 224 C SER A 9 -11.554 3.450 -7.442 1.00 0.37 C ATOM 225 O SER A 9 -10.640 3.149 -6.679 1.00 0.45 O ATOM 226 CB SER A 9 -11.945 5.788 -6.600 1.00 0.46 C ATOM 227 OG SER A 9 -11.370 5.658 -5.311 1.00 1.48 O ATOM 0 H SER A 9 -13.080 4.175 -5.032 1.00 0.33 H new ATOM 0 HA SER A 9 -13.228 4.685 -7.909 1.00 0.39 H new ATOM 0 HB2 SER A 9 -11.176 6.073 -7.318 1.00 0.46 H new ATOM 0 HB3 SER A 9 -12.686 6.587 -6.593 1.00 0.46 H new ATOM 0 HG SER A 9 -10.954 6.507 -5.051 1.00 1.48 H new ATOM 233 N ILE A 10 -11.707 2.882 -8.625 1.00 0.40 N ATOM 234 CA ILE A 10 -10.773 1.883 -9.104 1.00 0.42 C ATOM 235 C ILE A 10 -10.000 2.425 -10.298 1.00 0.50 C ATOM 236 O ILE A 10 -10.407 2.261 -11.451 1.00 0.53 O ATOM 237 CB ILE A 10 -11.488 0.570 -9.487 1.00 0.40 C ATOM 238 CG1 ILE A 10 -12.379 0.105 -8.329 1.00 0.38 C ATOM 239 CG2 ILE A 10 -10.466 -0.505 -9.838 1.00 0.45 C ATOM 240 CD1 ILE A 10 -13.253 -1.085 -8.660 1.00 0.43 C ATOM 0 H ILE A 10 -12.468 3.096 -9.269 1.00 0.40 H new ATOM 0 HA ILE A 10 -10.080 1.658 -8.293 1.00 0.42 H new ATOM 0 HB ILE A 10 -12.113 0.749 -10.362 1.00 0.40 H new ATOM 0 HG12 ILE A 10 -11.747 -0.148 -7.478 1.00 0.38 H new ATOM 0 HG13 ILE A 10 -13.015 0.934 -8.019 1.00 0.38 H new ATOM 0 HG21 ILE A 10 -10.984 -1.426 -10.106 1.00 0.45 H new ATOM 0 HG22 ILE A 10 -9.861 -0.170 -10.681 1.00 0.45 H new ATOM 0 HG23 ILE A 10 -9.821 -0.689 -8.979 1.00 0.45 H new ATOM 0 HD11 ILE A 10 -13.851 -1.351 -7.789 1.00 0.43 H new ATOM 0 HD12 ILE A 10 -13.913 -0.832 -9.490 1.00 0.43 H new ATOM 0 HD13 ILE A 10 -12.625 -1.931 -8.940 1.00 0.43 H new ATOM 252 N GLY A 11 -8.899 3.100 -10.004 1.00 0.59 N ATOM 253 CA GLY A 11 -8.111 3.732 -11.040 1.00 0.68 C ATOM 254 C GLY A 11 -8.880 4.822 -11.760 1.00 0.75 C ATOM 255 O GLY A 11 -9.091 5.906 -11.218 1.00 0.96 O ATOM 0 H GLY A 11 -8.536 3.221 -9.059 1.00 0.59 H new ATOM 0 HA2 GLY A 11 -7.209 4.157 -10.600 1.00 0.68 H new ATOM 0 HA3 GLY A 11 -7.790 2.979 -11.760 1.00 0.68 H new ATOM 259 N ASN A 12 -9.323 4.518 -12.971 1.00 0.75 N ATOM 260 CA ASN A 12 -10.036 5.485 -13.800 1.00 0.90 C ATOM 261 C ASN A 12 -11.547 5.394 -13.612 1.00 0.84 C ATOM 262 O ASN A 12 -12.274 6.321 -13.959 1.00 1.09 O ATOM 263 CB ASN A 12 -9.681 5.290 -15.282 1.00 1.09 C ATOM 264 CG ASN A 12 -9.846 3.855 -15.764 1.00 1.77 C ATOM 265 OD1 ASN A 12 -10.697 3.104 -15.282 1.00 2.62 O ATOM 266 ND2 ASN A 12 -9.026 3.459 -16.721 1.00 2.17 N ATOM 0 H ASN A 12 -9.201 3.603 -13.406 1.00 0.75 H new ATOM 0 HA ASN A 12 -9.719 6.478 -13.480 1.00 0.90 H new ATOM 0 HB2 ASN A 12 -10.311 5.942 -15.887 1.00 1.09 H new ATOM 0 HB3 ASN A 12 -8.650 5.603 -15.444 1.00 1.09 H new ATOM 0 HD21 ASN A 12 -9.086 2.507 -17.083 1.00 2.17 H new ATOM 0 HD22 ASN A 12 -8.333 4.105 -17.098 1.00 2.17 H new ATOM 273 N VAL A 13 -12.019 4.287 -13.060 1.00 0.65 N ATOM 274 CA VAL A 13 -13.451 4.058 -12.940 1.00 0.61 C ATOM 275 C VAL A 13 -13.925 4.317 -11.510 1.00 0.53 C ATOM 276 O VAL A 13 -13.151 4.191 -10.558 1.00 0.50 O ATOM 277 CB VAL A 13 -13.829 2.616 -13.380 1.00 0.61 C ATOM 278 CG1 VAL A 13 -13.274 1.579 -12.417 1.00 0.55 C ATOM 279 CG2 VAL A 13 -15.336 2.457 -13.531 1.00 0.65 C ATOM 0 H VAL A 13 -11.436 3.537 -12.690 1.00 0.65 H new ATOM 0 HA VAL A 13 -13.954 4.760 -13.605 1.00 0.61 H new ATOM 0 HB VAL A 13 -13.374 2.447 -14.356 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -13.557 0.582 -12.754 1.00 0.55 H new ATOM 0 HG12 VAL A 13 -12.187 1.657 -12.385 1.00 0.55 H new ATOM 0 HG13 VAL A 13 -13.680 1.754 -11.421 1.00 0.55 H new ATOM 0 HG21 VAL A 13 -15.565 1.437 -13.840 1.00 0.65 H new ATOM 0 HG22 VAL A 13 -15.821 2.665 -12.577 1.00 0.65 H new ATOM 0 HG23 VAL A 13 -15.702 3.155 -14.284 1.00 0.65 H new ATOM 289 N VAL A 14 -15.183 4.701 -11.371 1.00 0.51 N ATOM 290 CA VAL A 14 -15.781 4.914 -10.064 1.00 0.46 C ATOM 291 C VAL A 14 -17.108 4.166 -9.970 1.00 0.41 C ATOM 292 O VAL A 14 -18.030 4.402 -10.748 1.00 0.45 O ATOM 293 CB VAL A 14 -15.982 6.421 -9.744 1.00 0.53 C ATOM 294 CG1 VAL A 14 -16.724 7.135 -10.866 1.00 0.62 C ATOM 295 CG2 VAL A 14 -16.715 6.604 -8.416 1.00 0.50 C ATOM 0 H VAL A 14 -15.814 4.873 -12.154 1.00 0.51 H new ATOM 0 HA VAL A 14 -15.089 4.521 -9.319 1.00 0.46 H new ATOM 0 HB VAL A 14 -14.993 6.871 -9.657 1.00 0.53 H new ATOM 0 HG11 VAL A 14 -16.847 8.187 -10.609 1.00 0.62 H new ATOM 0 HG12 VAL A 14 -16.153 7.052 -11.791 1.00 0.62 H new ATOM 0 HG13 VAL A 14 -17.704 6.678 -11.003 1.00 0.62 H new ATOM 0 HG21 VAL A 14 -16.843 7.668 -8.215 1.00 0.50 H new ATOM 0 HG22 VAL A 14 -17.692 6.125 -8.471 1.00 0.50 H new ATOM 0 HG23 VAL A 14 -16.133 6.151 -7.614 1.00 0.50 H new ATOM 305 N LYS A 15 -17.184 3.243 -9.030 1.00 0.39 N ATOM 306 CA LYS A 15 -18.387 2.457 -8.822 1.00 0.41 C ATOM 307 C LYS A 15 -18.950 2.752 -7.444 1.00 0.35 C ATOM 308 O LYS A 15 -18.202 3.005 -6.511 1.00 0.31 O ATOM 309 CB LYS A 15 -18.091 0.963 -8.969 1.00 0.50 C ATOM 310 CG LYS A 15 -17.822 0.521 -10.402 1.00 0.67 C ATOM 311 CD LYS A 15 -19.037 0.743 -11.287 1.00 0.80 C ATOM 312 CE LYS A 15 -18.818 0.228 -12.701 1.00 1.02 C ATOM 313 NZ LYS A 15 -18.639 -1.249 -12.744 1.00 1.28 N ATOM 0 H LYS A 15 -16.420 3.017 -8.393 1.00 0.39 H new ATOM 0 HA LYS A 15 -19.123 2.729 -9.578 1.00 0.41 H new ATOM 0 HB2 LYS A 15 -17.226 0.713 -8.354 1.00 0.50 H new ATOM 0 HB3 LYS A 15 -18.935 0.396 -8.577 1.00 0.50 H new ATOM 0 HG2 LYS A 15 -16.972 1.075 -10.802 1.00 0.67 H new ATOM 0 HG3 LYS A 15 -17.549 -0.534 -10.414 1.00 0.67 H new ATOM 0 HD2 LYS A 15 -19.900 0.242 -10.849 1.00 0.80 H new ATOM 0 HD3 LYS A 15 -19.270 1.807 -11.322 1.00 0.80 H new ATOM 0 HE2 LYS A 15 -19.669 0.507 -13.322 1.00 1.02 H new ATOM 0 HE3 LYS A 15 -17.939 0.711 -13.129 1.00 1.02 H new ATOM 0 HZ1 LYS A 15 -18.863 -1.598 -13.698 1.00 1.28 H new ATOM 0 HZ2 LYS A 15 -17.654 -1.486 -12.511 1.00 1.28 H new ATOM 0 HZ3 LYS A 15 -19.275 -1.696 -12.053 1.00 1.28 H new ATOM 327 N THR A 16 -20.257 2.737 -7.314 1.00 0.38 N ATOM 328 CA THR A 16 -20.879 3.048 -6.043 1.00 0.37 C ATOM 329 C THR A 16 -21.433 1.782 -5.404 1.00 0.35 C ATOM 330 O THR A 16 -22.259 1.088 -5.996 1.00 0.39 O ATOM 331 CB THR A 16 -22.001 4.085 -6.216 1.00 0.45 C ATOM 332 OG1 THR A 16 -21.521 5.185 -7.002 1.00 0.50 O ATOM 333 CG2 THR A 16 -22.480 4.599 -4.865 1.00 0.45 C ATOM 0 H THR A 16 -20.908 2.514 -8.067 1.00 0.38 H new ATOM 0 HA THR A 16 -20.118 3.474 -5.390 1.00 0.37 H new ATOM 0 HB THR A 16 -22.839 3.605 -6.721 1.00 0.45 H new ATOM 0 HG1 THR A 16 -22.237 5.845 -7.113 1.00 0.50 H new ATOM 0 HG21 THR A 16 -23.274 5.331 -5.015 1.00 0.45 H new ATOM 0 HG22 THR A 16 -22.861 3.767 -4.273 1.00 0.45 H new ATOM 0 HG23 THR A 16 -21.649 5.068 -4.338 1.00 0.45 H new ATOM 341 N MET A 17 -20.956 1.469 -4.209 1.00 0.31 N ATOM 342 CA MET A 17 -21.399 0.282 -3.501 1.00 0.32 C ATOM 343 C MET A 17 -21.734 0.622 -2.067 1.00 0.32 C ATOM 344 O MET A 17 -21.177 1.556 -1.491 1.00 0.31 O ATOM 345 CB MET A 17 -20.351 -0.833 -3.528 1.00 0.34 C ATOM 346 CG MET A 17 -20.455 -1.752 -4.732 1.00 0.44 C ATOM 347 SD MET A 17 -19.574 -3.308 -4.478 1.00 1.04 S ATOM 348 CE MET A 17 -20.420 -3.932 -3.026 1.00 0.40 C ATOM 0 H MET A 17 -20.260 2.023 -3.710 1.00 0.31 H new ATOM 0 HA MET A 17 -22.289 -0.082 -4.015 1.00 0.32 H new ATOM 0 HB2 MET A 17 -19.358 -0.384 -3.512 1.00 0.34 H new ATOM 0 HB3 MET A 17 -20.446 -1.429 -2.620 1.00 0.34 H new ATOM 0 HG2 MET A 17 -21.505 -1.960 -4.939 1.00 0.44 H new ATOM 0 HG3 MET A 17 -20.051 -1.246 -5.609 1.00 0.44 H new ATOM 0 HE1 MET A 17 -20.003 -4.901 -2.750 1.00 0.40 H new ATOM 0 HE2 MET A 17 -20.290 -3.233 -2.200 1.00 0.40 H new ATOM 0 HE3 MET A 17 -21.482 -4.043 -3.243 1.00 0.40 H new ATOM 358 N GLN A 18 -22.653 -0.124 -1.500 1.00 0.36 N ATOM 359 CA GLN A 18 -22.982 0.026 -0.104 1.00 0.37 C ATOM 360 C GLN A 18 -22.570 -1.216 0.660 1.00 0.35 C ATOM 361 O GLN A 18 -22.755 -2.336 0.185 1.00 0.38 O ATOM 362 CB GLN A 18 -24.469 0.308 0.063 1.00 0.44 C ATOM 363 CG GLN A 18 -24.836 1.717 -0.356 1.00 0.49 C ATOM 364 CD GLN A 18 -26.257 1.830 -0.861 1.00 0.59 C ATOM 365 OE1 GLN A 18 -27.152 1.099 -0.427 1.00 0.92 O ATOM 366 NE2 GLN A 18 -26.469 2.744 -1.791 1.00 0.60 N ATOM 0 H GLN A 18 -23.187 -0.843 -1.987 1.00 0.36 H new ATOM 0 HA GLN A 18 -22.434 0.875 0.303 1.00 0.37 H new ATOM 0 HB2 GLN A 18 -25.041 -0.406 -0.530 1.00 0.44 H new ATOM 0 HB3 GLN A 18 -24.751 0.156 1.105 1.00 0.44 H new ATOM 0 HG2 GLN A 18 -24.703 2.389 0.492 1.00 0.49 H new ATOM 0 HG3 GLN A 18 -24.151 2.049 -1.136 1.00 0.49 H new ATOM 0 HE21 GLN A 18 -25.698 3.326 -2.119 1.00 0.60 H new ATOM 0 HE22 GLN A 18 -27.403 2.868 -2.181 1.00 0.60 H new ATOM 375 N PHE A 19 -22.003 -1.010 1.831 1.00 0.34 N ATOM 376 CA PHE A 19 -21.546 -2.096 2.673 1.00 0.33 C ATOM 377 C PHE A 19 -22.119 -1.871 4.054 1.00 0.37 C ATOM 378 O PHE A 19 -22.485 -0.746 4.386 1.00 0.40 O ATOM 379 CB PHE A 19 -20.015 -2.120 2.775 1.00 0.29 C ATOM 380 CG PHE A 19 -19.289 -2.216 1.463 1.00 0.27 C ATOM 381 CD1 PHE A 19 -19.018 -3.447 0.894 1.00 0.33 C ATOM 382 CD2 PHE A 19 -18.856 -1.072 0.813 1.00 0.30 C ATOM 383 CE1 PHE A 19 -18.333 -3.536 -0.302 1.00 0.36 C ATOM 384 CE2 PHE A 19 -18.169 -1.154 -0.381 1.00 0.31 C ATOM 385 CZ PHE A 19 -17.907 -2.388 -0.941 1.00 0.31 C ATOM 0 H PHE A 19 -21.846 -0.083 2.226 1.00 0.34 H new ATOM 0 HA PHE A 19 -21.871 -3.044 2.245 1.00 0.33 H new ATOM 0 HB2 PHE A 19 -19.687 -1.216 3.289 1.00 0.29 H new ATOM 0 HB3 PHE A 19 -19.721 -2.965 3.397 1.00 0.29 H new ATOM 0 HD1 PHE A 19 -19.346 -4.349 1.390 1.00 0.33 H new ATOM 0 HD2 PHE A 19 -19.059 -0.104 1.246 1.00 0.30 H new ATOM 0 HE1 PHE A 19 -18.130 -4.503 -0.738 1.00 0.36 H new ATOM 0 HE2 PHE A 19 -17.837 -0.254 -0.877 1.00 0.31 H new ATOM 0 HZ PHE A 19 -17.371 -2.456 -1.876 1.00 0.31 H new ATOM 395 N GLU A 20 -22.207 -2.905 4.855 1.00 0.39 N ATOM 396 CA GLU A 20 -22.645 -2.731 6.221 1.00 0.43 C ATOM 397 C GLU A 20 -21.499 -2.165 7.050 1.00 0.44 C ATOM 398 O GLU A 20 -20.334 -2.496 6.824 1.00 0.47 O ATOM 399 CB GLU A 20 -23.129 -4.052 6.821 1.00 0.50 C ATOM 400 CG GLU A 20 -24.326 -4.650 6.102 1.00 0.61 C ATOM 401 CD GLU A 20 -24.841 -5.894 6.788 1.00 0.90 C ATOM 402 OE1 GLU A 20 -24.254 -6.976 6.585 1.00 1.06 O ATOM 403 OE2 GLU A 20 -25.819 -5.794 7.554 1.00 1.42 O ATOM 0 H GLU A 20 -21.985 -3.865 4.591 1.00 0.39 H new ATOM 0 HA GLU A 20 -23.484 -2.035 6.231 1.00 0.43 H new ATOM 0 HB2 GLU A 20 -22.310 -4.771 6.802 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -23.388 -3.892 7.867 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -25.124 -3.909 6.050 1.00 0.61 H new ATOM 0 HG3 GLU A 20 -24.048 -4.892 5.076 1.00 0.61 H new ATOM 410 N PRO A 21 -21.811 -1.279 7.998 1.00 0.50 N ATOM 411 CA PRO A 21 -20.829 -0.726 8.930 1.00 0.53 C ATOM 412 C PRO A 21 -20.019 -1.827 9.619 1.00 0.53 C ATOM 413 O PRO A 21 -18.859 -1.627 9.986 1.00 0.65 O ATOM 414 CB PRO A 21 -21.685 0.051 9.949 1.00 0.57 C ATOM 415 CG PRO A 21 -23.111 -0.285 9.637 1.00 0.61 C ATOM 416 CD PRO A 21 -23.141 -0.719 8.210 1.00 0.62 C ATOM 0 HA PRO A 21 -20.091 -0.099 8.429 1.00 0.53 H new ATOM 0 HB2 PRO A 21 -21.432 -0.236 10.970 1.00 0.57 H new ATOM 0 HB3 PRO A 21 -21.511 1.124 9.867 1.00 0.57 H new ATOM 0 HG2 PRO A 21 -23.475 -1.077 10.291 1.00 0.61 H new ATOM 0 HG3 PRO A 21 -23.756 0.579 9.793 1.00 0.61 H new ATOM 0 HD2 PRO A 21 -23.921 -1.459 8.032 1.00 0.62 H new ATOM 0 HD3 PRO A 21 -23.336 0.118 7.540 1.00 0.62 H new ATOM 424 N SER A 22 -20.631 -3.000 9.748 1.00 0.50 N ATOM 425 CA SER A 22 -19.999 -4.139 10.392 1.00 0.61 C ATOM 426 C SER A 22 -19.554 -5.194 9.368 1.00 0.84 C ATOM 427 O SER A 22 -19.227 -6.320 9.738 1.00 1.64 O ATOM 428 CB SER A 22 -20.976 -4.760 11.391 1.00 0.68 C ATOM 429 OG SER A 22 -21.425 -3.790 12.327 1.00 1.32 O ATOM 0 H SER A 22 -21.575 -3.184 9.409 1.00 0.50 H new ATOM 0 HA SER A 22 -19.107 -3.788 10.911 1.00 0.61 H new ATOM 0 HB2 SER A 22 -21.829 -5.181 10.859 1.00 0.68 H new ATOM 0 HB3 SER A 22 -20.492 -5.583 11.917 1.00 0.68 H new ATOM 0 HG SER A 22 -22.050 -4.207 12.956 1.00 1.32 H new ATOM 435 N THR A 23 -19.539 -4.824 8.086 1.00 0.41 N ATOM 436 CA THR A 23 -19.099 -5.735 7.028 1.00 0.49 C ATOM 437 C THR A 23 -17.652 -6.169 7.234 1.00 0.63 C ATOM 438 O THR A 23 -17.354 -7.362 7.204 1.00 1.47 O ATOM 439 CB THR A 23 -19.252 -5.090 5.632 1.00 0.51 C ATOM 440 OG1 THR A 23 -20.630 -5.058 5.260 1.00 0.68 O ATOM 441 CG2 THR A 23 -18.462 -5.837 4.572 1.00 0.50 C ATOM 0 H THR A 23 -19.826 -3.902 7.756 1.00 0.41 H new ATOM 0 HA THR A 23 -19.740 -6.615 7.081 1.00 0.49 H new ATOM 0 HB THR A 23 -18.857 -4.076 5.695 1.00 0.51 H new ATOM 0 HG1 THR A 23 -20.717 -5.275 4.308 1.00 0.68 H new ATOM 0 HG21 THR A 23 -18.598 -5.350 3.606 1.00 0.50 H new ATOM 0 HG22 THR A 23 -17.404 -5.832 4.835 1.00 0.50 H new ATOM 0 HG23 THR A 23 -18.816 -6.866 4.512 1.00 0.50 H new ATOM 449 N MET A 24 -16.773 -5.189 7.461 1.00 0.54 N ATOM 450 CA MET A 24 -15.340 -5.430 7.646 1.00 0.48 C ATOM 451 C MET A 24 -14.665 -5.702 6.298 1.00 0.43 C ATOM 452 O MET A 24 -15.230 -6.361 5.426 1.00 0.47 O ATOM 453 CB MET A 24 -15.102 -6.580 8.633 1.00 0.60 C ATOM 454 CG MET A 24 -13.859 -6.438 9.483 1.00 0.57 C ATOM 455 SD MET A 24 -13.836 -7.621 10.841 1.00 0.83 S ATOM 456 CE MET A 24 -12.633 -6.854 11.912 1.00 0.71 C ATOM 0 H MET A 24 -17.036 -4.205 7.522 1.00 0.54 H new ATOM 0 HA MET A 24 -14.890 -4.533 8.073 1.00 0.48 H new ATOM 0 HB2 MET A 24 -15.968 -6.661 9.290 1.00 0.60 H new ATOM 0 HB3 MET A 24 -15.038 -7.513 8.073 1.00 0.60 H new ATOM 0 HG2 MET A 24 -12.975 -6.582 8.861 1.00 0.57 H new ATOM 0 HG3 MET A 24 -13.806 -5.425 9.883 1.00 0.57 H new ATOM 0 HE1 MET A 24 -12.616 -7.373 12.871 1.00 0.71 H new ATOM 0 HE2 MET A 24 -11.647 -6.911 11.451 1.00 0.71 H new ATOM 0 HE3 MET A 24 -12.900 -5.809 12.069 1.00 0.71 H new ATOM 466 N VAL A 25 -13.464 -5.153 6.145 1.00 0.40 N ATOM 467 CA VAL A 25 -12.717 -5.183 4.879 1.00 0.38 C ATOM 468 C VAL A 25 -12.775 -6.534 4.154 1.00 0.39 C ATOM 469 O VAL A 25 -13.102 -6.585 2.967 1.00 0.39 O ATOM 470 CB VAL A 25 -11.248 -4.789 5.096 1.00 0.41 C ATOM 471 CG1 VAL A 25 -10.422 -5.008 3.834 1.00 0.42 C ATOM 472 CG2 VAL A 25 -11.177 -3.340 5.530 1.00 0.40 C ATOM 0 H VAL A 25 -12.973 -4.670 6.897 1.00 0.40 H new ATOM 0 HA VAL A 25 -13.213 -4.453 4.239 1.00 0.38 H new ATOM 0 HB VAL A 25 -10.828 -5.425 5.876 1.00 0.41 H new ATOM 0 HG11 VAL A 25 -9.388 -4.720 4.021 1.00 0.42 H new ATOM 0 HG12 VAL A 25 -10.460 -6.060 3.552 1.00 0.42 H new ATOM 0 HG13 VAL A 25 -10.827 -4.401 3.024 1.00 0.42 H new ATOM 0 HG21 VAL A 25 -10.136 -3.057 5.685 1.00 0.40 H new ATOM 0 HG22 VAL A 25 -11.614 -2.707 4.758 1.00 0.40 H new ATOM 0 HG23 VAL A 25 -11.730 -3.211 6.460 1.00 0.40 H new ATOM 482 N TYR A 26 -12.465 -7.620 4.860 1.00 0.42 N ATOM 483 CA TYR A 26 -12.386 -8.936 4.222 1.00 0.45 C ATOM 484 C TYR A 26 -13.718 -9.339 3.590 1.00 0.43 C ATOM 485 O TYR A 26 -13.747 -9.980 2.536 1.00 0.42 O ATOM 486 CB TYR A 26 -11.908 -10.016 5.206 1.00 0.52 C ATOM 487 CG TYR A 26 -12.861 -10.329 6.343 1.00 0.56 C ATOM 488 CD1 TYR A 26 -13.870 -11.275 6.190 1.00 0.70 C ATOM 489 CD2 TYR A 26 -12.734 -9.703 7.575 1.00 0.58 C ATOM 490 CE1 TYR A 26 -14.724 -11.583 7.231 1.00 0.78 C ATOM 491 CE2 TYR A 26 -13.587 -10.005 8.619 1.00 0.65 C ATOM 492 CZ TYR A 26 -14.580 -10.945 8.443 1.00 0.72 C ATOM 493 OH TYR A 26 -15.424 -11.260 9.487 1.00 0.83 O ATOM 0 H TYR A 26 -12.267 -7.618 5.861 1.00 0.42 H new ATOM 0 HA TYR A 26 -11.647 -8.855 3.425 1.00 0.45 H new ATOM 0 HB2 TYR A 26 -11.721 -10.934 4.649 1.00 0.52 H new ATOM 0 HB3 TYR A 26 -10.955 -9.701 5.630 1.00 0.52 H new ATOM 0 HD1 TYR A 26 -13.987 -11.777 5.241 1.00 0.70 H new ATOM 0 HD2 TYR A 26 -11.956 -8.968 7.720 1.00 0.58 H new ATOM 0 HE1 TYR A 26 -15.501 -12.321 7.095 1.00 0.78 H new ATOM 0 HE2 TYR A 26 -13.476 -9.506 9.570 1.00 0.65 H new ATOM 0 HH TYR A 26 -15.189 -10.722 10.272 1.00 0.83 H new ATOM 503 N ASP A 27 -14.814 -8.945 4.225 1.00 0.43 N ATOM 504 CA ASP A 27 -16.141 -9.281 3.732 1.00 0.44 C ATOM 505 C ASP A 27 -16.502 -8.381 2.559 1.00 0.39 C ATOM 506 O ASP A 27 -17.138 -8.808 1.600 1.00 0.40 O ATOM 507 CB ASP A 27 -17.176 -9.153 4.847 1.00 0.50 C ATOM 508 CG ASP A 27 -18.522 -9.727 4.463 1.00 0.91 C ATOM 509 OD1 ASP A 27 -18.678 -10.964 4.523 1.00 1.24 O ATOM 510 OD2 ASP A 27 -19.425 -8.955 4.096 1.00 1.48 O ATOM 0 H ASP A 27 -14.809 -8.392 5.082 1.00 0.43 H new ATOM 0 HA ASP A 27 -16.137 -10.316 3.391 1.00 0.44 H new ATOM 0 HB2 ASP A 27 -16.809 -9.663 5.738 1.00 0.50 H new ATOM 0 HB3 ASP A 27 -17.295 -8.101 5.108 1.00 0.50 H new ATOM 515 N ALA A 28 -16.086 -7.126 2.635 1.00 0.37 N ATOM 516 CA ALA A 28 -16.271 -6.194 1.531 1.00 0.33 C ATOM 517 C ALA A 28 -15.578 -6.704 0.271 1.00 0.32 C ATOM 518 O ALA A 28 -16.154 -6.683 -0.817 1.00 0.31 O ATOM 519 CB ALA A 28 -15.743 -4.817 1.908 1.00 0.33 C ATOM 0 H ALA A 28 -15.618 -6.729 3.449 1.00 0.37 H new ATOM 0 HA ALA A 28 -17.338 -6.114 1.324 1.00 0.33 H new ATOM 0 HB1 ALA A 28 -15.888 -4.131 1.074 1.00 0.33 H new ATOM 0 HB2 ALA A 28 -16.282 -4.447 2.780 1.00 0.33 H new ATOM 0 HB3 ALA A 28 -14.680 -4.886 2.141 1.00 0.33 H new ATOM 525 N CYS A 29 -14.344 -7.174 0.440 1.00 0.35 N ATOM 526 CA CYS A 29 -13.530 -7.674 -0.667 1.00 0.37 C ATOM 527 C CYS A 29 -14.244 -8.775 -1.459 1.00 0.38 C ATOM 528 O CYS A 29 -14.214 -8.775 -2.688 1.00 0.40 O ATOM 529 CB CYS A 29 -12.189 -8.192 -0.138 1.00 0.45 C ATOM 530 SG CYS A 29 -11.045 -8.749 -1.424 1.00 1.37 S ATOM 0 H CYS A 29 -13.880 -7.219 1.347 1.00 0.35 H new ATOM 0 HA CYS A 29 -13.359 -6.841 -1.349 1.00 0.37 H new ATOM 0 HB2 CYS A 29 -11.710 -7.402 0.440 1.00 0.45 H new ATOM 0 HB3 CYS A 29 -12.377 -9.019 0.547 1.00 0.45 H new ATOM 0 HG CYS A 29 -9.943 -9.165 -0.874 1.00 1.37 H new ATOM 536 N ARG A 30 -14.912 -9.691 -0.766 1.00 0.40 N ATOM 537 CA ARG A 30 -15.547 -10.812 -1.453 1.00 0.44 C ATOM 538 C ARG A 30 -16.743 -10.334 -2.269 1.00 0.42 C ATOM 539 O ARG A 30 -16.987 -10.811 -3.378 1.00 0.45 O ATOM 540 CB ARG A 30 -15.974 -11.923 -0.487 1.00 0.49 C ATOM 541 CG ARG A 30 -16.903 -11.472 0.621 1.00 0.53 C ATOM 542 CD ARG A 30 -17.954 -12.520 0.929 1.00 0.71 C ATOM 543 NE ARG A 30 -18.816 -12.092 2.020 1.00 1.12 N ATOM 544 CZ ARG A 30 -20.139 -12.229 2.042 1.00 1.68 C ATOM 545 NH1 ARG A 30 -20.782 -12.792 1.028 1.00 1.94 N ATOM 546 NH2 ARG A 30 -20.816 -11.789 3.089 1.00 2.41 N ATOM 0 H ARG A 30 -15.027 -9.683 0.247 1.00 0.40 H new ATOM 0 HA ARG A 30 -14.801 -11.236 -2.125 1.00 0.44 H new ATOM 0 HB2 ARG A 30 -16.465 -12.712 -1.056 1.00 0.49 H new ATOM 0 HB3 ARG A 30 -15.081 -12.360 -0.040 1.00 0.49 H new ATOM 0 HG2 ARG A 30 -16.323 -11.262 1.520 1.00 0.53 H new ATOM 0 HG3 ARG A 30 -17.390 -10.541 0.332 1.00 0.53 H new ATOM 0 HD2 ARG A 30 -18.555 -12.709 0.039 1.00 0.71 H new ATOM 0 HD3 ARG A 30 -17.469 -13.460 1.192 1.00 0.71 H new ATOM 0 HE ARG A 30 -18.373 -11.654 2.828 1.00 1.12 H new ATOM 0 HH11 ARG A 30 -20.262 -13.127 0.217 1.00 1.94 H new ATOM 0 HH12 ARG A 30 -21.797 -12.890 1.059 1.00 1.94 H new ATOM 0 HH21 ARG A 30 -20.324 -11.351 3.867 1.00 2.41 H new ATOM 0 HH22 ARG A 30 -21.831 -11.888 3.118 1.00 2.41 H new ATOM 560 N MET A 31 -17.467 -9.372 -1.726 1.00 0.39 N ATOM 561 CA MET A 31 -18.658 -8.861 -2.374 1.00 0.40 C ATOM 562 C MET A 31 -18.323 -7.935 -3.534 1.00 0.38 C ATOM 563 O MET A 31 -18.923 -8.040 -4.598 1.00 0.44 O ATOM 564 CB MET A 31 -19.524 -8.127 -1.365 1.00 0.39 C ATOM 565 CG MET A 31 -19.965 -9.004 -0.213 1.00 0.43 C ATOM 566 SD MET A 31 -21.015 -8.123 0.947 1.00 0.45 S ATOM 567 CE MET A 31 -19.850 -6.892 1.512 1.00 0.39 C ATOM 0 H MET A 31 -17.248 -8.928 -0.834 1.00 0.39 H new ATOM 0 HA MET A 31 -19.203 -9.715 -2.777 1.00 0.40 H new ATOM 0 HB2 MET A 31 -18.971 -7.273 -0.973 1.00 0.39 H new ATOM 0 HB3 MET A 31 -20.405 -7.731 -1.871 1.00 0.39 H new ATOM 0 HG2 MET A 31 -20.502 -9.869 -0.602 1.00 0.43 H new ATOM 0 HG3 MET A 31 -19.087 -9.383 0.310 1.00 0.43 H new ATOM 0 HE1 MET A 31 -20.325 -6.257 2.260 1.00 0.39 H new ATOM 0 HE2 MET A 31 -18.984 -7.386 1.953 1.00 0.39 H new ATOM 0 HE3 MET A 31 -19.529 -6.281 0.669 1.00 0.39 H new ATOM 577 N ILE A 32 -17.371 -7.033 -3.336 1.00 0.34 N ATOM 578 CA ILE A 32 -17.040 -6.048 -4.360 1.00 0.33 C ATOM 579 C ILE A 32 -16.537 -6.725 -5.641 1.00 0.36 C ATOM 580 O ILE A 32 -16.983 -6.394 -6.736 1.00 0.40 O ATOM 581 CB ILE A 32 -16.015 -5.010 -3.845 1.00 0.30 C ATOM 582 CG1 ILE A 32 -15.755 -3.951 -4.914 1.00 0.40 C ATOM 583 CG2 ILE A 32 -14.711 -5.672 -3.418 1.00 0.30 C ATOM 584 CD1 ILE A 32 -14.799 -2.873 -4.471 1.00 0.48 C ATOM 0 H ILE A 32 -16.817 -6.962 -2.482 1.00 0.34 H new ATOM 0 HA ILE A 32 -17.958 -5.512 -4.600 1.00 0.33 H new ATOM 0 HB ILE A 32 -16.440 -4.528 -2.965 1.00 0.30 H new ATOM 0 HG12 ILE A 32 -15.356 -4.436 -5.805 1.00 0.40 H new ATOM 0 HG13 ILE A 32 -16.702 -3.492 -5.198 1.00 0.40 H new ATOM 0 HG21 ILE A 32 -14.016 -4.911 -3.062 1.00 0.30 H new ATOM 0 HG22 ILE A 32 -14.910 -6.385 -2.617 1.00 0.30 H new ATOM 0 HG23 ILE A 32 -14.273 -6.195 -4.268 1.00 0.30 H new ATOM 0 HD11 ILE A 32 -14.660 -2.155 -5.279 1.00 0.48 H new ATOM 0 HD12 ILE A 32 -15.205 -2.363 -3.598 1.00 0.48 H new ATOM 0 HD13 ILE A 32 -13.839 -3.321 -4.215 1.00 0.48 H new ATOM 596 N ARG A 33 -15.633 -7.690 -5.485 1.00 0.36 N ATOM 597 CA ARG A 33 -15.120 -8.479 -6.609 1.00 0.41 C ATOM 598 C ARG A 33 -16.253 -9.205 -7.344 1.00 0.45 C ATOM 599 O ARG A 33 -16.142 -9.518 -8.528 1.00 0.49 O ATOM 600 CB ARG A 33 -14.070 -9.485 -6.130 1.00 0.45 C ATOM 601 CG ARG A 33 -12.884 -8.840 -5.422 1.00 1.01 C ATOM 602 CD ARG A 33 -11.835 -9.868 -5.020 1.00 0.94 C ATOM 603 NE ARG A 33 -12.409 -10.978 -4.262 1.00 0.64 N ATOM 604 CZ ARG A 33 -11.696 -11.973 -3.727 1.00 0.84 C ATOM 605 NH1 ARG A 33 -10.370 -11.933 -3.733 1.00 1.32 N ATOM 606 NH2 ARG A 33 -12.312 -12.997 -3.155 1.00 1.22 N ATOM 0 H ARG A 33 -15.236 -7.948 -4.582 1.00 0.36 H new ATOM 0 HA ARG A 33 -14.650 -7.788 -7.309 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -14.543 -10.197 -5.453 1.00 0.45 H new ATOM 0 HB3 ARG A 33 -13.706 -10.053 -6.986 1.00 0.45 H new ATOM 0 HG2 ARG A 33 -12.431 -8.096 -6.077 1.00 1.01 H new ATOM 0 HG3 ARG A 33 -13.234 -8.312 -4.535 1.00 1.01 H new ATOM 0 HD2 ARG A 33 -11.347 -10.255 -5.915 1.00 0.94 H new ATOM 0 HD3 ARG A 33 -11.064 -9.382 -4.422 1.00 0.94 H new ATOM 0 HE ARG A 33 -13.421 -10.994 -4.133 1.00 0.64 H new ATOM 0 HH11 ARG A 33 -9.886 -11.137 -4.149 1.00 1.32 H new ATOM 0 HH12 ARG A 33 -9.835 -12.698 -3.322 1.00 1.32 H new ATOM 0 HH21 ARG A 33 -13.331 -13.026 -3.123 1.00 1.22 H new ATOM 0 HH22 ARG A 33 -11.767 -13.756 -2.747 1.00 1.22 H new ATOM 620 N GLU A 34 -17.333 -9.477 -6.626 1.00 0.46 N ATOM 621 CA GLU A 34 -18.456 -10.218 -7.191 1.00 0.51 C ATOM 622 C GLU A 34 -19.163 -9.395 -8.273 1.00 0.50 C ATOM 623 O GLU A 34 -19.221 -9.803 -9.436 1.00 0.54 O ATOM 624 CB GLU A 34 -19.444 -10.606 -6.083 1.00 0.55 C ATOM 625 CG GLU A 34 -20.726 -11.255 -6.584 1.00 0.90 C ATOM 626 CD GLU A 34 -20.490 -12.591 -7.253 1.00 1.51 C ATOM 627 OE1 GLU A 34 -20.500 -13.623 -6.546 1.00 1.50 O ATOM 628 OE2 GLU A 34 -20.306 -12.617 -8.487 1.00 2.40 O ATOM 0 H GLU A 34 -17.457 -9.197 -5.653 1.00 0.46 H new ATOM 0 HA GLU A 34 -18.071 -11.127 -7.654 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -18.949 -11.291 -5.395 1.00 0.55 H new ATOM 0 HB3 GLU A 34 -19.702 -9.713 -5.513 1.00 0.55 H new ATOM 0 HG2 GLU A 34 -21.410 -11.390 -5.746 1.00 0.90 H new ATOM 0 HG3 GLU A 34 -21.215 -10.583 -7.289 1.00 0.90 H new ATOM 635 N ARG A 35 -19.685 -8.230 -7.897 1.00 0.51 N ATOM 636 CA ARG A 35 -20.427 -7.399 -8.839 1.00 0.55 C ATOM 637 C ARG A 35 -19.507 -6.522 -9.684 1.00 0.49 C ATOM 638 O ARG A 35 -19.790 -6.270 -10.856 1.00 0.54 O ATOM 639 CB ARG A 35 -21.492 -6.544 -8.133 1.00 0.72 C ATOM 640 CG ARG A 35 -20.983 -5.696 -6.978 1.00 0.77 C ATOM 641 CD ARG A 35 -21.106 -6.417 -5.644 1.00 0.79 C ATOM 642 NE ARG A 35 -22.427 -7.013 -5.447 1.00 1.02 N ATOM 643 CZ ARG A 35 -22.633 -8.159 -4.796 1.00 1.46 C ATOM 644 NH1 ARG A 35 -21.609 -8.813 -4.262 1.00 1.79 N ATOM 645 NH2 ARG A 35 -23.860 -8.651 -4.682 1.00 1.90 N ATOM 0 H ARG A 35 -19.609 -7.844 -6.956 1.00 0.51 H new ATOM 0 HA ARG A 35 -20.939 -8.085 -9.513 1.00 0.55 H new ATOM 0 HB2 ARG A 35 -21.953 -5.886 -8.870 1.00 0.72 H new ATOM 0 HB3 ARG A 35 -22.275 -7.204 -7.760 1.00 0.72 H new ATOM 0 HG2 ARG A 35 -19.940 -5.433 -7.153 1.00 0.77 H new ATOM 0 HG3 ARG A 35 -21.544 -4.763 -6.939 1.00 0.77 H new ATOM 0 HD2 ARG A 35 -20.347 -7.197 -5.585 1.00 0.79 H new ATOM 0 HD3 ARG A 35 -20.904 -5.714 -4.835 1.00 0.79 H new ATOM 0 HE ARG A 35 -23.237 -6.525 -5.829 1.00 1.02 H new ATOM 0 HH11 ARG A 35 -20.664 -8.439 -4.349 1.00 1.79 H new ATOM 0 HH12 ARG A 35 -21.767 -9.689 -3.764 1.00 1.79 H new ATOM 0 HH21 ARG A 35 -24.649 -8.153 -5.093 1.00 1.90 H new ATOM 0 HH22 ARG A 35 -24.014 -9.528 -4.184 1.00 1.90 H new ATOM 659 N ILE A 36 -18.410 -6.058 -9.096 1.00 0.45 N ATOM 660 CA ILE A 36 -17.497 -5.158 -9.791 1.00 0.43 C ATOM 661 C ILE A 36 -16.262 -5.908 -10.289 1.00 0.45 C ATOM 662 O ILE A 36 -15.385 -6.265 -9.502 1.00 0.44 O ATOM 663 CB ILE A 36 -17.053 -3.993 -8.878 1.00 0.43 C ATOM 664 CG1 ILE A 36 -18.274 -3.260 -8.318 1.00 0.43 C ATOM 665 CG2 ILE A 36 -16.162 -3.025 -9.643 1.00 0.44 C ATOM 666 CD1 ILE A 36 -17.925 -2.150 -7.350 1.00 0.44 C ATOM 0 H ILE A 36 -18.132 -6.289 -8.142 1.00 0.45 H new ATOM 0 HA ILE A 36 -18.038 -4.750 -10.645 1.00 0.43 H new ATOM 0 HB ILE A 36 -16.482 -4.406 -8.046 1.00 0.43 H new ATOM 0 HG12 ILE A 36 -18.847 -2.842 -9.146 1.00 0.43 H new ATOM 0 HG13 ILE A 36 -18.920 -3.980 -7.815 1.00 0.43 H new ATOM 0 HG21 ILE A 36 -15.859 -2.211 -8.984 1.00 0.44 H new ATOM 0 HG22 ILE A 36 -15.277 -3.551 -10.001 1.00 0.44 H new ATOM 0 HG23 ILE A 36 -16.711 -2.619 -10.492 1.00 0.44 H new ATOM 0 HD11 ILE A 36 -18.840 -1.676 -6.995 1.00 0.44 H new ATOM 0 HD12 ILE A 36 -17.379 -2.564 -6.503 1.00 0.44 H new ATOM 0 HD13 ILE A 36 -17.305 -1.409 -7.854 1.00 0.44 H new ATOM 678 N PRO A 37 -16.174 -6.156 -11.605 1.00 0.53 N ATOM 679 CA PRO A 37 -15.039 -6.860 -12.205 1.00 0.60 C ATOM 680 C PRO A 37 -13.786 -5.991 -12.259 1.00 0.61 C ATOM 681 O PRO A 37 -12.670 -6.497 -12.376 1.00 0.71 O ATOM 682 CB PRO A 37 -15.514 -7.195 -13.627 1.00 0.73 C ATOM 683 CG PRO A 37 -16.965 -6.837 -13.669 1.00 0.76 C ATOM 684 CD PRO A 37 -17.170 -5.788 -12.616 1.00 0.60 C ATOM 0 HA PRO A 37 -14.761 -7.739 -11.623 1.00 0.60 H new ATOM 0 HB2 PRO A 37 -14.951 -6.631 -14.370 1.00 0.73 H new ATOM 0 HB3 PRO A 37 -15.366 -8.252 -13.850 1.00 0.73 H new ATOM 0 HG2 PRO A 37 -17.244 -6.460 -14.653 1.00 0.76 H new ATOM 0 HG3 PRO A 37 -17.587 -7.711 -13.474 1.00 0.76 H new ATOM 0 HD2 PRO A 37 -17.002 -4.784 -13.005 1.00 0.60 H new ATOM 0 HD3 PRO A 37 -18.183 -5.809 -12.214 1.00 0.60 H new ATOM 692 N GLU A 38 -13.976 -4.681 -12.167 1.00 0.57 N ATOM 693 CA GLU A 38 -12.863 -3.742 -12.211 1.00 0.61 C ATOM 694 C GLU A 38 -12.045 -3.826 -10.930 1.00 0.54 C ATOM 695 O GLU A 38 -10.861 -3.497 -10.917 1.00 0.62 O ATOM 696 CB GLU A 38 -13.353 -2.303 -12.411 1.00 0.75 C ATOM 697 CG GLU A 38 -14.112 -2.065 -13.710 1.00 0.99 C ATOM 698 CD GLU A 38 -15.501 -2.669 -13.704 1.00 1.67 C ATOM 699 OE1 GLU A 38 -16.276 -2.373 -12.774 1.00 2.46 O ATOM 700 OE2 GLU A 38 -15.830 -3.427 -14.640 1.00 2.04 O ATOM 0 H GLU A 38 -14.892 -4.244 -12.061 1.00 0.57 H new ATOM 0 HA GLU A 38 -12.237 -4.016 -13.060 1.00 0.61 H new ATOM 0 HB2 GLU A 38 -13.998 -2.033 -11.575 1.00 0.75 H new ATOM 0 HB3 GLU A 38 -12.494 -1.633 -12.380 1.00 0.75 H new ATOM 0 HG2 GLU A 38 -14.189 -0.992 -13.888 1.00 0.99 H new ATOM 0 HG3 GLU A 38 -13.543 -2.485 -14.539 1.00 0.99 H new ATOM 707 N ALA A 39 -12.686 -4.273 -9.857 1.00 0.47 N ATOM 708 CA ALA A 39 -12.029 -4.389 -8.563 1.00 0.47 C ATOM 709 C ALA A 39 -10.854 -5.354 -8.645 1.00 0.49 C ATOM 710 O ALA A 39 -9.746 -5.057 -8.212 1.00 0.55 O ATOM 711 CB ALA A 39 -13.027 -4.862 -7.515 1.00 0.47 C ATOM 0 H ALA A 39 -13.664 -4.562 -9.859 1.00 0.47 H new ATOM 0 HA ALA A 39 -11.649 -3.409 -8.275 1.00 0.47 H new ATOM 0 HB1 ALA A 39 -12.528 -4.946 -6.550 1.00 0.47 H new ATOM 0 HB2 ALA A 39 -13.844 -4.144 -7.440 1.00 0.47 H new ATOM 0 HB3 ALA A 39 -13.425 -5.835 -7.804 1.00 0.47 H new ATOM 717 N LEU A 40 -11.111 -6.494 -9.246 1.00 0.50 N ATOM 718 CA LEU A 40 -10.150 -7.582 -9.325 1.00 0.59 C ATOM 719 C LEU A 40 -9.269 -7.458 -10.567 1.00 0.67 C ATOM 720 O LEU A 40 -8.867 -8.462 -11.155 1.00 0.99 O ATOM 721 CB LEU A 40 -10.924 -8.885 -9.374 1.00 0.65 C ATOM 722 CG LEU A 40 -11.931 -8.943 -10.511 1.00 0.62 C ATOM 723 CD1 LEU A 40 -11.472 -9.911 -11.574 1.00 1.29 C ATOM 724 CD2 LEU A 40 -13.304 -9.285 -9.983 1.00 1.19 C ATOM 0 H LEU A 40 -12.001 -6.698 -9.700 1.00 0.50 H new ATOM 0 HA LEU A 40 -9.495 -7.549 -8.454 1.00 0.59 H new ATOM 0 HB2 LEU A 40 -10.222 -9.713 -9.477 1.00 0.65 H new ATOM 0 HB3 LEU A 40 -11.446 -9.025 -8.428 1.00 0.65 H new ATOM 0 HG LEU A 40 -11.999 -7.960 -10.977 1.00 0.62 H new ATOM 0 HD11 LEU A 40 -12.205 -9.940 -12.380 1.00 1.29 H new ATOM 0 HD12 LEU A 40 -10.509 -9.587 -11.970 1.00 1.29 H new ATOM 0 HD13 LEU A 40 -11.370 -10.906 -11.141 1.00 1.29 H new ATOM 0 HD21 LEU A 40 -14.013 -9.322 -10.810 1.00 1.19 H new ATOM 0 HD22 LEU A 40 -13.272 -10.256 -9.488 1.00 1.19 H new ATOM 0 HD23 LEU A 40 -13.619 -8.524 -9.269 1.00 1.19 H new ATOM 736 N ALA A 41 -8.955 -6.227 -10.937 1.00 0.65 N ATOM 737 CA ALA A 41 -8.176 -5.932 -12.146 1.00 0.74 C ATOM 738 C ALA A 41 -6.703 -6.372 -12.042 1.00 0.81 C ATOM 739 O ALA A 41 -5.798 -5.679 -12.518 1.00 1.15 O ATOM 740 CB ALA A 41 -8.255 -4.443 -12.447 1.00 0.92 C ATOM 0 H ALA A 41 -9.230 -5.397 -10.412 1.00 0.65 H new ATOM 0 HA ALA A 41 -8.614 -6.510 -12.960 1.00 0.74 H new ATOM 0 HB1 ALA A 41 -7.677 -4.222 -13.344 1.00 0.92 H new ATOM 0 HB2 ALA A 41 -9.295 -4.159 -12.606 1.00 0.92 H new ATOM 0 HB3 ALA A 41 -7.849 -3.880 -11.606 1.00 0.92 H new ATOM 746 N GLY A 42 -6.477 -7.525 -11.442 1.00 0.75 N ATOM 747 CA GLY A 42 -5.167 -8.111 -11.357 1.00 0.86 C ATOM 748 C GLY A 42 -5.261 -9.398 -10.583 1.00 0.80 C ATOM 749 O GLY A 42 -6.180 -10.184 -10.814 1.00 0.82 O ATOM 0 H GLY A 42 -7.208 -8.080 -10.998 1.00 0.75 H new ATOM 0 HA2 GLY A 42 -4.772 -8.299 -12.355 1.00 0.86 H new ATOM 0 HA3 GLY A 42 -4.478 -7.424 -10.866 1.00 0.86 H new ATOM 753 N PRO A 43 -4.346 -9.647 -9.655 1.00 0.83 N ATOM 754 CA PRO A 43 -4.495 -10.718 -8.697 1.00 0.82 C ATOM 755 C PRO A 43 -5.247 -10.235 -7.459 1.00 0.72 C ATOM 756 O PRO A 43 -4.693 -9.527 -6.620 1.00 0.66 O ATOM 757 CB PRO A 43 -3.057 -11.103 -8.370 1.00 0.94 C ATOM 758 CG PRO A 43 -2.194 -9.955 -8.809 1.00 1.09 C ATOM 759 CD PRO A 43 -3.083 -8.934 -9.472 1.00 0.98 C ATOM 0 HA PRO A 43 -5.074 -11.560 -9.076 1.00 0.82 H new ATOM 0 HB2 PRO A 43 -2.939 -11.290 -7.303 1.00 0.94 H new ATOM 0 HB3 PRO A 43 -2.774 -12.020 -8.887 1.00 0.94 H new ATOM 0 HG2 PRO A 43 -1.680 -9.516 -7.954 1.00 1.09 H new ATOM 0 HG3 PRO A 43 -1.425 -10.298 -9.501 1.00 1.09 H new ATOM 0 HD2 PRO A 43 -3.209 -8.048 -8.850 1.00 0.98 H new ATOM 0 HD3 PRO A 43 -2.670 -8.600 -10.423 1.00 0.98 H new ATOM 767 N PRO A 44 -6.529 -10.619 -7.328 1.00 0.76 N ATOM 768 CA PRO A 44 -7.432 -10.065 -6.308 1.00 0.73 C ATOM 769 C PRO A 44 -7.129 -10.547 -4.892 1.00 0.69 C ATOM 770 O PRO A 44 -7.988 -10.492 -4.014 1.00 0.74 O ATOM 771 CB PRO A 44 -8.805 -10.565 -6.756 1.00 0.93 C ATOM 772 CG PRO A 44 -8.528 -11.828 -7.492 1.00 0.99 C ATOM 773 CD PRO A 44 -7.197 -11.636 -8.164 1.00 0.89 C ATOM 0 HA PRO A 44 -7.341 -8.981 -6.245 1.00 0.73 H new ATOM 0 HB2 PRO A 44 -9.460 -10.740 -5.903 1.00 0.93 H new ATOM 0 HB3 PRO A 44 -9.302 -9.836 -7.395 1.00 0.93 H new ATOM 0 HG2 PRO A 44 -8.501 -12.678 -6.811 1.00 0.99 H new ATOM 0 HG3 PRO A 44 -9.309 -12.031 -8.225 1.00 0.99 H new ATOM 0 HD2 PRO A 44 -6.627 -12.565 -8.197 1.00 0.89 H new ATOM 0 HD3 PRO A 44 -7.313 -11.296 -9.193 1.00 0.89 H new ATOM 781 N ASN A 45 -5.907 -10.998 -4.671 1.00 0.72 N ATOM 782 CA ASN A 45 -5.493 -11.481 -3.365 1.00 0.77 C ATOM 783 C ASN A 45 -4.638 -10.438 -2.659 1.00 0.71 C ATOM 784 O ASN A 45 -4.479 -10.469 -1.437 1.00 0.85 O ATOM 785 CB ASN A 45 -4.720 -12.793 -3.508 1.00 0.87 C ATOM 786 CG ASN A 45 -5.597 -13.932 -3.991 1.00 1.41 C ATOM 787 OD1 ASN A 45 -6.783 -13.999 -3.668 1.00 2.21 O ATOM 788 ND2 ASN A 45 -5.025 -14.827 -4.780 1.00 1.37 N ATOM 0 H ASN A 45 -5.179 -11.040 -5.384 1.00 0.72 H new ATOM 0 HA ASN A 45 -6.383 -11.663 -2.763 1.00 0.77 H new ATOM 0 HB2 ASN A 45 -3.896 -12.651 -4.207 1.00 0.87 H new ATOM 0 HB3 ASN A 45 -4.281 -13.059 -2.547 1.00 0.87 H new ATOM 0 HD21 ASN A 45 -5.570 -15.608 -5.144 1.00 1.37 H new ATOM 0 HD22 ASN A 45 -4.039 -14.735 -5.024 1.00 1.37 H new ATOM 795 N ASP A 46 -4.094 -9.510 -3.435 1.00 0.61 N ATOM 796 CA ASP A 46 -3.266 -8.439 -2.888 1.00 0.68 C ATOM 797 C ASP A 46 -4.003 -7.118 -2.988 1.00 0.57 C ATOM 798 O ASP A 46 -3.467 -6.051 -2.702 1.00 0.61 O ATOM 799 CB ASP A 46 -1.926 -8.373 -3.622 1.00 0.83 C ATOM 800 CG ASP A 46 -1.989 -7.772 -5.007 1.00 1.22 C ATOM 801 OD1 ASP A 46 -2.136 -6.552 -5.127 1.00 1.90 O ATOM 802 OD2 ASP A 46 -1.837 -8.535 -5.989 1.00 1.38 O ATOM 0 H ASP A 46 -4.211 -9.476 -4.448 1.00 0.61 H new ATOM 0 HA ASP A 46 -3.064 -8.646 -1.837 1.00 0.68 H new ATOM 0 HB2 ASP A 46 -1.227 -7.792 -3.021 1.00 0.83 H new ATOM 0 HB3 ASP A 46 -1.519 -9.381 -3.697 1.00 0.83 H new ATOM 807 N PHE A 47 -5.256 -7.219 -3.366 1.00 0.53 N ATOM 808 CA PHE A 47 -6.083 -6.063 -3.617 1.00 0.47 C ATOM 809 C PHE A 47 -6.915 -5.732 -2.389 1.00 0.44 C ATOM 810 O PHE A 47 -7.661 -6.574 -1.885 1.00 0.48 O ATOM 811 CB PHE A 47 -6.961 -6.346 -4.832 1.00 0.49 C ATOM 812 CG PHE A 47 -6.253 -6.142 -6.144 1.00 0.51 C ATOM 813 CD1 PHE A 47 -4.928 -6.530 -6.313 1.00 0.79 C ATOM 814 CD2 PHE A 47 -6.908 -5.542 -7.207 1.00 0.78 C ATOM 815 CE1 PHE A 47 -4.285 -6.325 -7.517 1.00 0.85 C ATOM 816 CE2 PHE A 47 -6.265 -5.333 -8.410 1.00 0.80 C ATOM 817 CZ PHE A 47 -4.951 -5.724 -8.565 1.00 0.63 C ATOM 0 H PHE A 47 -5.732 -8.110 -3.509 1.00 0.53 H new ATOM 0 HA PHE A 47 -5.461 -5.193 -3.827 1.00 0.47 H new ATOM 0 HB2 PHE A 47 -7.322 -7.373 -4.779 1.00 0.49 H new ATOM 0 HB3 PHE A 47 -7.837 -5.698 -4.796 1.00 0.49 H new ATOM 0 HD1 PHE A 47 -4.398 -6.996 -5.495 1.00 0.79 H new ATOM 0 HD2 PHE A 47 -7.937 -5.233 -7.093 1.00 0.78 H new ATOM 0 HE1 PHE A 47 -3.258 -6.636 -7.639 1.00 0.85 H new ATOM 0 HE2 PHE A 47 -6.790 -4.864 -9.229 1.00 0.80 H new ATOM 0 HZ PHE A 47 -4.445 -5.560 -9.505 1.00 0.63 H new ATOM 827 N GLY A 48 -6.779 -4.506 -1.910 1.00 0.42 N ATOM 828 CA GLY A 48 -7.409 -4.123 -0.666 1.00 0.41 C ATOM 829 C GLY A 48 -8.082 -2.771 -0.726 1.00 0.35 C ATOM 830 O GLY A 48 -8.193 -2.165 -1.794 1.00 0.34 O ATOM 0 H GLY A 48 -6.241 -3.767 -2.363 1.00 0.42 H new ATOM 0 HA2 GLY A 48 -8.148 -4.877 -0.394 1.00 0.41 H new ATOM 0 HA3 GLY A 48 -6.659 -4.113 0.125 1.00 0.41 H new ATOM 834 N LEU A 49 -8.513 -2.294 0.434 1.00 0.31 N ATOM 835 CA LEU A 49 -9.285 -1.068 0.523 1.00 0.28 C ATOM 836 C LEU A 49 -8.425 0.092 1.017 1.00 0.29 C ATOM 837 O LEU A 49 -7.992 0.115 2.164 1.00 0.31 O ATOM 838 CB LEU A 49 -10.473 -1.267 1.468 1.00 0.26 C ATOM 839 CG LEU A 49 -11.371 -2.467 1.151 1.00 0.26 C ATOM 840 CD1 LEU A 49 -12.492 -2.577 2.172 1.00 0.27 C ATOM 841 CD2 LEU A 49 -11.939 -2.352 -0.252 1.00 0.25 C ATOM 0 H LEU A 49 -8.338 -2.744 1.332 1.00 0.31 H new ATOM 0 HA LEU A 49 -9.648 -0.824 -0.476 1.00 0.28 H new ATOM 0 HB2 LEU A 49 -10.093 -1.377 2.484 1.00 0.26 H new ATOM 0 HB3 LEU A 49 -11.083 -0.364 1.452 1.00 0.26 H new ATOM 0 HG LEU A 49 -10.766 -3.372 1.204 1.00 0.26 H new ATOM 0 HD11 LEU A 49 -13.120 -3.435 1.932 1.00 0.27 H new ATOM 0 HD12 LEU A 49 -12.066 -2.706 3.167 1.00 0.27 H new ATOM 0 HD13 LEU A 49 -13.094 -1.669 2.150 1.00 0.27 H new ATOM 0 HD21 LEU A 49 -12.574 -3.213 -0.459 1.00 0.25 H new ATOM 0 HD22 LEU A 49 -12.529 -1.439 -0.332 1.00 0.25 H new ATOM 0 HD23 LEU A 49 -11.123 -2.321 -0.974 1.00 0.25 H new ATOM 853 N PHE A 50 -8.158 1.026 0.131 1.00 0.29 N ATOM 854 CA PHE A 50 -7.474 2.256 0.500 1.00 0.30 C ATOM 855 C PHE A 50 -8.498 3.363 0.715 1.00 0.30 C ATOM 856 O PHE A 50 -9.366 3.587 -0.125 1.00 0.31 O ATOM 857 CB PHE A 50 -6.461 2.661 -0.576 1.00 0.34 C ATOM 858 CG PHE A 50 -5.666 3.894 -0.233 1.00 0.34 C ATOM 859 CD1 PHE A 50 -4.525 3.809 0.555 1.00 0.37 C ATOM 860 CD2 PHE A 50 -6.062 5.138 -0.699 1.00 0.36 C ATOM 861 CE1 PHE A 50 -3.800 4.942 0.870 1.00 0.38 C ATOM 862 CE2 PHE A 50 -5.339 6.273 -0.386 1.00 0.38 C ATOM 863 CZ PHE A 50 -4.207 6.174 0.398 1.00 0.37 C ATOM 0 H PHE A 50 -8.404 0.961 -0.857 1.00 0.29 H new ATOM 0 HA PHE A 50 -6.926 2.090 1.428 1.00 0.30 H new ATOM 0 HB2 PHE A 50 -5.773 1.832 -0.744 1.00 0.34 H new ATOM 0 HB3 PHE A 50 -6.990 2.831 -1.514 1.00 0.34 H new ATOM 0 HD1 PHE A 50 -4.201 2.847 0.925 1.00 0.37 H new ATOM 0 HD2 PHE A 50 -6.946 5.221 -1.314 1.00 0.36 H new ATOM 0 HE1 PHE A 50 -2.916 4.864 1.485 1.00 0.38 H new ATOM 0 HE2 PHE A 50 -5.659 7.237 -0.754 1.00 0.38 H new ATOM 0 HZ PHE A 50 -3.640 7.060 0.642 1.00 0.37 H new ATOM 873 N LEU A 51 -8.404 4.053 1.838 1.00 0.30 N ATOM 874 CA LEU A 51 -9.346 5.114 2.136 1.00 0.32 C ATOM 875 C LEU A 51 -8.777 6.439 1.651 1.00 0.36 C ATOM 876 O LEU A 51 -7.742 6.901 2.137 1.00 0.38 O ATOM 877 CB LEU A 51 -9.655 5.160 3.639 1.00 0.33 C ATOM 878 CG LEU A 51 -10.983 5.829 4.031 1.00 0.35 C ATOM 879 CD1 LEU A 51 -10.915 7.342 3.881 1.00 0.46 C ATOM 880 CD2 LEU A 51 -12.124 5.267 3.194 1.00 0.41 C ATOM 0 H LEU A 51 -7.692 3.899 2.552 1.00 0.30 H new ATOM 0 HA LEU A 51 -10.285 4.921 1.617 1.00 0.32 H new ATOM 0 HB2 LEU A 51 -9.658 4.139 4.021 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -8.843 5.686 4.141 1.00 0.33 H new ATOM 0 HG LEU A 51 -11.168 5.608 5.082 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -11.872 7.779 4.167 1.00 0.46 H new ATOM 0 HD12 LEU A 51 -10.129 7.736 4.525 1.00 0.46 H new ATOM 0 HD13 LEU A 51 -10.696 7.595 2.844 1.00 0.46 H new ATOM 0 HD21 LEU A 51 -13.058 5.749 3.482 1.00 0.41 H new ATOM 0 HD22 LEU A 51 -11.928 5.456 2.138 1.00 0.41 H new ATOM 0 HD23 LEU A 51 -12.203 4.193 3.362 1.00 0.41 H new ATOM 892 N SER A 52 -9.450 7.023 0.674 1.00 0.42 N ATOM 893 CA SER A 52 -8.995 8.254 0.054 1.00 0.53 C ATOM 894 C SER A 52 -9.393 9.470 0.884 1.00 0.61 C ATOM 895 O SER A 52 -10.581 9.738 1.085 1.00 0.93 O ATOM 896 CB SER A 52 -9.575 8.362 -1.356 1.00 0.67 C ATOM 897 OG SER A 52 -10.982 8.193 -1.336 1.00 1.28 O ATOM 0 H SER A 52 -10.322 6.659 0.291 1.00 0.42 H new ATOM 0 HA SER A 52 -7.907 8.231 -0.002 1.00 0.53 H new ATOM 0 HB2 SER A 52 -9.327 9.334 -1.783 1.00 0.67 H new ATOM 0 HB3 SER A 52 -9.123 7.607 -1.999 1.00 0.67 H new ATOM 0 HG SER A 52 -11.353 8.633 -0.543 1.00 1.28 H new ATOM 903 N ASP A 53 -8.396 10.190 1.372 1.00 0.74 N ATOM 904 CA ASP A 53 -8.630 11.420 2.114 1.00 0.90 C ATOM 905 C ASP A 53 -8.341 12.619 1.227 1.00 1.04 C ATOM 906 O ASP A 53 -9.252 13.348 0.829 1.00 1.28 O ATOM 907 CB ASP A 53 -7.747 11.475 3.366 1.00 0.89 C ATOM 908 CG ASP A 53 -7.854 12.802 4.100 1.00 1.18 C ATOM 909 OD1 ASP A 53 -7.098 13.739 3.765 1.00 1.24 O ATOM 910 OD2 ASP A 53 -8.690 12.914 5.020 1.00 1.42 O ATOM 0 H ASP A 53 -7.412 9.943 1.267 1.00 0.74 H new ATOM 0 HA ASP A 53 -9.674 11.443 2.426 1.00 0.90 H new ATOM 0 HB2 ASP A 53 -8.030 10.667 4.041 1.00 0.89 H new ATOM 0 HB3 ASP A 53 -6.709 11.304 3.081 1.00 0.89 H new ATOM 915 N ASP A 54 -7.064 12.782 0.894 1.00 0.93 N ATOM 916 CA ASP A 54 -6.590 13.924 0.120 1.00 1.10 C ATOM 917 C ASP A 54 -5.074 13.876 -0.002 1.00 1.02 C ATOM 918 O ASP A 54 -4.525 13.953 -1.100 1.00 1.22 O ATOM 919 CB ASP A 54 -7.016 15.241 0.781 1.00 1.26 C ATOM 920 CG ASP A 54 -6.351 16.455 0.166 1.00 1.47 C ATOM 921 OD1 ASP A 54 -6.719 16.842 -0.963 1.00 1.73 O ATOM 922 OD2 ASP A 54 -5.472 17.046 0.827 1.00 1.45 O ATOM 0 H ASP A 54 -6.328 12.125 1.154 1.00 0.93 H new ATOM 0 HA ASP A 54 -7.034 13.874 -0.874 1.00 1.10 H new ATOM 0 HB2 ASP A 54 -8.098 15.347 0.702 1.00 1.26 H new ATOM 0 HB3 ASP A 54 -6.776 15.202 1.844 1.00 1.26 H new ATOM 927 N ASP A 55 -4.405 13.733 1.134 1.00 0.87 N ATOM 928 CA ASP A 55 -2.949 13.696 1.167 1.00 0.94 C ATOM 929 C ASP A 55 -2.466 12.318 1.623 1.00 0.87 C ATOM 930 O ASP A 55 -3.080 11.707 2.497 1.00 0.71 O ATOM 931 CB ASP A 55 -2.429 14.788 2.106 1.00 0.99 C ATOM 932 CG ASP A 55 -0.920 14.809 2.210 1.00 1.39 C ATOM 933 OD1 ASP A 55 -0.261 15.404 1.328 1.00 1.58 O ATOM 934 OD2 ASP A 55 -0.388 14.229 3.175 1.00 1.79 O ATOM 0 H ASP A 55 -4.849 13.640 2.048 1.00 0.87 H new ATOM 0 HA ASP A 55 -2.561 13.879 0.165 1.00 0.94 H new ATOM 0 HB2 ASP A 55 -2.777 15.759 1.753 1.00 0.99 H new ATOM 0 HB3 ASP A 55 -2.854 14.639 3.099 1.00 0.99 H new ATOM 939 N PRO A 56 -1.369 11.810 1.024 1.00 1.06 N ATOM 940 CA PRO A 56 -0.817 10.478 1.323 1.00 1.08 C ATOM 941 C PRO A 56 -0.558 10.222 2.811 1.00 0.98 C ATOM 942 O PRO A 56 -0.617 9.079 3.258 1.00 0.97 O ATOM 943 CB PRO A 56 0.509 10.442 0.546 1.00 1.35 C ATOM 944 CG PRO A 56 0.760 11.847 0.112 1.00 1.48 C ATOM 945 CD PRO A 56 -0.591 12.480 -0.026 1.00 1.33 C ATOM 0 HA PRO A 56 -1.529 9.704 1.038 1.00 1.08 H new ATOM 0 HB2 PRO A 56 1.321 10.075 1.174 1.00 1.35 H new ATOM 0 HB3 PRO A 56 0.442 9.773 -0.312 1.00 1.35 H new ATOM 0 HG2 PRO A 56 1.368 12.379 0.843 1.00 1.48 H new ATOM 0 HG3 PRO A 56 1.302 11.873 -0.833 1.00 1.48 H new ATOM 0 HD2 PRO A 56 -0.550 13.559 0.126 1.00 1.33 H new ATOM 0 HD3 PRO A 56 -1.017 12.313 -1.015 1.00 1.33 H new ATOM 953 N LYS A 57 -0.271 11.272 3.579 1.00 0.99 N ATOM 954 CA LYS A 57 0.001 11.104 5.005 1.00 1.02 C ATOM 955 C LYS A 57 -1.296 10.824 5.760 1.00 0.82 C ATOM 956 O LYS A 57 -1.285 10.265 6.856 1.00 0.87 O ATOM 957 CB LYS A 57 0.672 12.353 5.593 1.00 1.25 C ATOM 958 CG LYS A 57 1.850 12.877 4.783 1.00 1.51 C ATOM 959 CD LYS A 57 3.061 11.965 4.876 1.00 1.62 C ATOM 960 CE LYS A 57 3.598 11.886 6.296 1.00 2.08 C ATOM 961 NZ LYS A 57 4.046 13.210 6.807 1.00 2.93 N ATOM 0 H LYS A 57 -0.221 12.234 3.244 1.00 0.99 H new ATOM 0 HA LYS A 57 0.680 10.259 5.116 1.00 1.02 H new ATOM 0 HB2 LYS A 57 -0.073 13.144 5.680 1.00 1.25 H new ATOM 0 HB3 LYS A 57 1.014 12.125 6.603 1.00 1.25 H new ATOM 0 HG2 LYS A 57 1.554 12.980 3.739 1.00 1.51 H new ATOM 0 HG3 LYS A 57 2.119 13.872 5.138 1.00 1.51 H new ATOM 0 HD2 LYS A 57 2.791 10.966 4.533 1.00 1.62 H new ATOM 0 HD3 LYS A 57 3.843 12.330 4.211 1.00 1.62 H new ATOM 0 HE2 LYS A 57 2.824 11.489 6.953 1.00 2.08 H new ATOM 0 HE3 LYS A 57 4.433 11.186 6.328 1.00 2.08 H new ATOM 0 HZ1 LYS A 57 4.600 13.077 7.677 1.00 2.93 H new ATOM 0 HZ2 LYS A 57 4.636 13.677 6.089 1.00 2.93 H new ATOM 0 HZ3 LYS A 57 3.216 13.802 7.012 1.00 2.93 H new ATOM 975 N LYS A 58 -2.413 11.221 5.164 1.00 0.69 N ATOM 976 CA LYS A 58 -3.720 11.047 5.783 1.00 0.65 C ATOM 977 C LYS A 58 -4.403 9.797 5.239 1.00 0.56 C ATOM 978 O LYS A 58 -5.216 9.174 5.926 1.00 0.63 O ATOM 979 CB LYS A 58 -4.618 12.268 5.539 1.00 0.73 C ATOM 980 CG LYS A 58 -4.123 13.565 6.169 1.00 0.94 C ATOM 981 CD LYS A 58 -2.956 14.161 5.401 1.00 1.24 C ATOM 982 CE LYS A 58 -2.639 15.575 5.859 1.00 1.55 C ATOM 983 NZ LYS A 58 -3.822 16.468 5.752 1.00 2.16 N ATOM 0 H LYS A 58 -2.439 11.668 4.248 1.00 0.69 H new ATOM 0 HA LYS A 58 -3.565 10.939 6.856 1.00 0.65 H new ATOM 0 HB2 LYS A 58 -4.718 12.418 4.464 1.00 0.73 H new ATOM 0 HB3 LYS A 58 -5.614 12.051 5.924 1.00 0.73 H new ATOM 0 HG2 LYS A 58 -4.940 14.286 6.204 1.00 0.94 H new ATOM 0 HG3 LYS A 58 -3.820 13.376 7.199 1.00 0.94 H new ATOM 0 HD2 LYS A 58 -2.076 13.531 5.532 1.00 1.24 H new ATOM 0 HD3 LYS A 58 -3.188 14.168 4.336 1.00 1.24 H new ATOM 0 HE2 LYS A 58 -2.292 15.553 6.892 1.00 1.55 H new ATOM 0 HE3 LYS A 58 -1.824 15.978 5.258 1.00 1.55 H new ATOM 0 HZ1 LYS A 58 -3.520 17.406 5.421 1.00 2.16 H new ATOM 0 HZ2 LYS A 58 -4.502 16.064 5.076 1.00 2.16 H new ATOM 0 HZ3 LYS A 58 -4.274 16.559 6.684 1.00 2.16 H new ATOM 997 N GLY A 59 -4.078 9.448 3.997 1.00 0.54 N ATOM 998 CA GLY A 59 -4.610 8.239 3.396 1.00 0.59 C ATOM 999 C GLY A 59 -4.214 7.004 4.179 1.00 0.54 C ATOM 1000 O GLY A 59 -3.100 6.927 4.701 1.00 0.58 O ATOM 0 H GLY A 59 -3.453 9.984 3.395 1.00 0.54 H new ATOM 0 HA2 GLY A 59 -5.697 8.305 3.346 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -4.248 8.152 2.371 1.00 0.59 H new ATOM 1004 N ILE A 60 -5.110 6.029 4.252 1.00 0.49 N ATOM 1005 CA ILE A 60 -4.891 4.857 5.090 1.00 0.47 C ATOM 1006 C ILE A 60 -5.306 3.583 4.376 1.00 0.42 C ATOM 1007 O ILE A 60 -6.161 3.604 3.489 1.00 0.41 O ATOM 1008 CB ILE A 60 -5.673 4.942 6.417 1.00 0.51 C ATOM 1009 CG1 ILE A 60 -7.139 5.300 6.150 1.00 0.55 C ATOM 1010 CG2 ILE A 60 -5.027 5.945 7.358 1.00 0.60 C ATOM 1011 CD1 ILE A 60 -8.008 5.283 7.388 1.00 0.65 C ATOM 0 H ILE A 60 -5.994 6.026 3.742 1.00 0.49 H new ATOM 0 HA ILE A 60 -3.822 4.834 5.303 1.00 0.47 H new ATOM 0 HB ILE A 60 -5.644 3.965 6.900 1.00 0.51 H new ATOM 0 HG12 ILE A 60 -7.185 6.291 5.699 1.00 0.55 H new ATOM 0 HG13 ILE A 60 -7.547 4.600 5.421 1.00 0.55 H new ATOM 0 HG21 ILE A 60 -5.594 5.989 8.288 1.00 0.60 H new ATOM 0 HG22 ILE A 60 -4.004 5.637 7.572 1.00 0.60 H new ATOM 0 HG23 ILE A 60 -5.019 6.930 6.891 1.00 0.60 H new ATOM 0 HD11 ILE A 60 -9.031 5.546 7.118 1.00 0.65 H new ATOM 0 HD12 ILE A 60 -7.994 4.286 7.829 1.00 0.65 H new ATOM 0 HD13 ILE A 60 -7.626 6.004 8.111 1.00 0.65 H new ATOM 1023 N TRP A 61 -4.700 2.477 4.774 1.00 0.42 N ATOM 1024 CA TRP A 61 -5.080 1.179 4.252 1.00 0.40 C ATOM 1025 C TRP A 61 -6.021 0.479 5.208 1.00 0.40 C ATOM 1026 O TRP A 61 -5.734 0.337 6.399 1.00 0.48 O ATOM 1027 CB TRP A 61 -3.859 0.307 3.992 1.00 0.44 C ATOM 1028 CG TRP A 61 -3.142 0.670 2.738 1.00 0.43 C ATOM 1029 CD1 TRP A 61 -2.011 1.412 2.631 1.00 0.48 C ATOM 1030 CD2 TRP A 61 -3.516 0.307 1.409 1.00 0.41 C ATOM 1031 NE1 TRP A 61 -1.655 1.540 1.316 1.00 0.49 N ATOM 1032 CE2 TRP A 61 -2.562 0.869 0.543 1.00 0.45 C ATOM 1033 CE3 TRP A 61 -4.564 -0.439 0.868 1.00 0.41 C ATOM 1034 CZ2 TRP A 61 -2.623 0.708 -0.834 1.00 0.48 C ATOM 1035 CZ3 TRP A 61 -4.625 -0.598 -0.500 1.00 0.45 C ATOM 1036 CH2 TRP A 61 -3.659 -0.026 -1.335 1.00 0.48 C ATOM 0 H TRP A 61 -3.943 2.454 5.457 1.00 0.42 H new ATOM 0 HA TRP A 61 -5.591 1.341 3.303 1.00 0.40 H new ATOM 0 HB2 TRP A 61 -3.172 0.392 4.834 1.00 0.44 H new ATOM 0 HB3 TRP A 61 -4.169 -0.736 3.938 1.00 0.44 H new ATOM 0 HD1 TRP A 61 -1.470 1.839 3.463 1.00 0.48 H new ATOM 0 HE1 TRP A 61 -0.845 2.053 0.969 1.00 0.49 H new ATOM 0 HE3 TRP A 61 -5.312 -0.883 1.508 1.00 0.41 H new ATOM 0 HZ2 TRP A 61 -1.880 1.146 -1.484 1.00 0.48 H new ATOM 0 HZ3 TRP A 61 -5.430 -1.173 -0.934 1.00 0.45 H new ATOM 0 HH2 TRP A 61 -3.735 -0.169 -2.403 1.00 0.48 H new ATOM 1047 N LEU A 62 -7.143 0.048 4.682 1.00 0.36 N ATOM 1048 CA LEU A 62 -8.139 -0.636 5.469 1.00 0.37 C ATOM 1049 C LEU A 62 -7.826 -2.124 5.507 1.00 0.42 C ATOM 1050 O LEU A 62 -8.016 -2.835 4.520 1.00 0.43 O ATOM 1051 CB LEU A 62 -9.526 -0.388 4.872 1.00 0.33 C ATOM 1052 CG LEU A 62 -9.863 1.084 4.625 1.00 0.31 C ATOM 1053 CD1 LEU A 62 -11.199 1.223 3.928 1.00 0.29 C ATOM 1054 CD2 LEU A 62 -9.876 1.852 5.929 1.00 0.35 C ATOM 0 H LEU A 62 -7.390 0.162 3.699 1.00 0.36 H new ATOM 0 HA LEU A 62 -8.128 -0.253 6.489 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -9.602 -0.927 3.928 1.00 0.33 H new ATOM 0 HB3 LEU A 62 -10.275 -0.811 5.541 1.00 0.33 H new ATOM 0 HG LEU A 62 -9.091 1.501 3.978 1.00 0.31 H new ATOM 0 HD11 LEU A 62 -11.416 2.279 3.764 1.00 0.29 H new ATOM 0 HD12 LEU A 62 -11.165 0.706 2.969 1.00 0.29 H new ATOM 0 HD13 LEU A 62 -11.980 0.784 4.549 1.00 0.29 H new ATOM 0 HD21 LEU A 62 -10.117 2.897 5.734 1.00 0.35 H new ATOM 0 HD22 LEU A 62 -10.625 1.425 6.595 1.00 0.35 H new ATOM 0 HD23 LEU A 62 -8.894 1.788 6.399 1.00 0.35 H new ATOM 1066 N GLU A 63 -7.316 -2.582 6.637 1.00 0.48 N ATOM 1067 CA GLU A 63 -6.960 -3.982 6.805 1.00 0.55 C ATOM 1068 C GLU A 63 -8.184 -4.804 7.183 1.00 0.52 C ATOM 1069 O GLU A 63 -9.179 -4.268 7.669 1.00 0.48 O ATOM 1070 CB GLU A 63 -5.887 -4.131 7.883 1.00 0.65 C ATOM 1071 CG GLU A 63 -6.352 -3.697 9.263 1.00 0.68 C ATOM 1072 CD GLU A 63 -5.330 -3.991 10.334 1.00 1.07 C ATOM 1073 OE1 GLU A 63 -5.043 -5.183 10.572 1.00 1.42 O ATOM 1074 OE2 GLU A 63 -4.820 -3.034 10.950 1.00 1.30 O ATOM 0 H GLU A 63 -7.138 -2.002 7.457 1.00 0.48 H new ATOM 0 HA GLU A 63 -6.568 -4.350 5.857 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -5.568 -5.173 7.926 1.00 0.65 H new ATOM 0 HB3 GLU A 63 -5.014 -3.542 7.600 1.00 0.65 H new ATOM 0 HG2 GLU A 63 -6.565 -2.628 9.252 1.00 0.68 H new ATOM 0 HG3 GLU A 63 -7.285 -4.206 9.506 1.00 0.68 H new ATOM 1081 N ALA A 64 -8.103 -6.107 6.977 1.00 0.58 N ATOM 1082 CA ALA A 64 -9.197 -7.009 7.315 1.00 0.58 C ATOM 1083 C ALA A 64 -9.309 -7.198 8.827 1.00 0.60 C ATOM 1084 O ALA A 64 -10.133 -7.972 9.308 1.00 0.65 O ATOM 1085 CB ALA A 64 -8.992 -8.349 6.635 1.00 0.64 C ATOM 0 H ALA A 64 -7.287 -6.569 6.575 1.00 0.58 H new ATOM 0 HA ALA A 64 -10.127 -6.564 6.961 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -9.814 -9.017 6.893 1.00 0.64 H new ATOM 0 HB2 ALA A 64 -8.964 -8.208 5.554 1.00 0.64 H new ATOM 0 HB3 ALA A 64 -8.051 -8.786 6.968 1.00 0.64 H new ATOM 1091 N GLY A 65 -8.474 -6.481 9.567 1.00 0.64 N ATOM 1092 CA GLY A 65 -8.461 -6.603 11.008 1.00 0.70 C ATOM 1093 C GLY A 65 -9.295 -5.547 11.710 1.00 0.70 C ATOM 1094 O GLY A 65 -9.239 -5.431 12.934 1.00 0.84 O ATOM 0 H GLY A 65 -7.802 -5.813 9.190 1.00 0.64 H new ATOM 0 HA2 GLY A 65 -8.830 -7.590 11.285 1.00 0.70 H new ATOM 0 HA3 GLY A 65 -7.432 -6.537 11.362 1.00 0.70 H new ATOM 1098 N LYS A 66 -10.077 -4.783 10.955 1.00 0.60 N ATOM 1099 CA LYS A 66 -10.923 -3.756 11.548 1.00 0.61 C ATOM 1100 C LYS A 66 -12.137 -3.511 10.662 1.00 0.54 C ATOM 1101 O LYS A 66 -12.148 -3.901 9.489 1.00 0.47 O ATOM 1102 CB LYS A 66 -10.141 -2.447 11.778 1.00 0.66 C ATOM 1103 CG LYS A 66 -10.324 -1.390 10.694 1.00 0.60 C ATOM 1104 CD LYS A 66 -9.615 -1.746 9.401 1.00 0.56 C ATOM 1105 CE LYS A 66 -10.530 -1.551 8.201 1.00 0.61 C ATOM 1106 NZ LYS A 66 -11.191 -0.222 8.197 1.00 1.29 N ATOM 0 H LYS A 66 -10.142 -4.855 9.940 1.00 0.60 H new ATOM 0 HA LYS A 66 -11.260 -4.110 12.522 1.00 0.61 H new ATOM 0 HB2 LYS A 66 -10.446 -2.022 12.734 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -9.080 -2.684 11.858 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -11.388 -1.260 10.496 1.00 0.60 H new ATOM 0 HG3 LYS A 66 -9.948 -0.434 11.058 1.00 0.60 H new ATOM 0 HD2 LYS A 66 -8.726 -1.126 9.288 1.00 0.56 H new ATOM 0 HD3 LYS A 66 -9.279 -2.782 9.441 1.00 0.56 H new ATOM 0 HE2 LYS A 66 -9.951 -1.667 7.285 1.00 0.61 H new ATOM 0 HE3 LYS A 66 -11.291 -2.331 8.199 1.00 0.61 H new ATOM 0 HZ1 LYS A 66 -11.622 -0.051 7.266 1.00 1.29 H new ATOM 0 HZ2 LYS A 66 -11.929 -0.199 8.930 1.00 1.29 H new ATOM 0 HZ3 LYS A 66 -10.486 0.517 8.393 1.00 1.29 H new ATOM 1120 N ALA A 67 -13.146 -2.857 11.206 1.00 0.57 N ATOM 1121 CA ALA A 67 -14.369 -2.610 10.469 1.00 0.52 C ATOM 1122 C ALA A 67 -14.272 -1.303 9.690 1.00 0.47 C ATOM 1123 O ALA A 67 -13.323 -0.534 9.863 1.00 0.47 O ATOM 1124 CB ALA A 67 -15.555 -2.600 11.418 1.00 0.59 C ATOM 0 H ALA A 67 -13.142 -2.487 12.157 1.00 0.57 H new ATOM 0 HA ALA A 67 -14.516 -3.414 9.748 1.00 0.52 H new ATOM 0 HB1 ALA A 67 -16.470 -2.414 10.855 1.00 0.59 H new ATOM 0 HB2 ALA A 67 -15.628 -3.565 11.920 1.00 0.59 H new ATOM 0 HB3 ALA A 67 -15.420 -1.814 12.161 1.00 0.59 H new ATOM 1130 N LEU A 68 -15.239 -1.063 8.819 1.00 0.45 N ATOM 1131 CA LEU A 68 -15.235 0.129 7.981 1.00 0.40 C ATOM 1132 C LEU A 68 -15.604 1.361 8.803 1.00 0.43 C ATOM 1133 O LEU A 68 -14.844 2.328 8.871 1.00 0.44 O ATOM 1134 CB LEU A 68 -16.212 -0.041 6.817 1.00 0.37 C ATOM 1135 CG LEU A 68 -15.886 -1.185 5.854 1.00 0.36 C ATOM 1136 CD1 LEU A 68 -16.959 -1.303 4.785 1.00 0.36 C ATOM 1137 CD2 LEU A 68 -14.528 -0.965 5.213 1.00 0.37 C ATOM 0 H LEU A 68 -16.039 -1.678 8.673 1.00 0.45 H new ATOM 0 HA LEU A 68 -14.231 0.268 7.580 1.00 0.40 H new ATOM 0 HB2 LEU A 68 -17.211 -0.202 7.223 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -16.244 0.890 6.252 1.00 0.37 H new ATOM 0 HG LEU A 68 -15.858 -2.115 6.421 1.00 0.36 H new ATOM 0 HD11 LEU A 68 -16.711 -2.121 4.109 1.00 0.36 H new ATOM 0 HD12 LEU A 68 -17.922 -1.501 5.256 1.00 0.36 H new ATOM 0 HD13 LEU A 68 -17.015 -0.372 4.222 1.00 0.36 H new ATOM 0 HD21 LEU A 68 -14.310 -1.787 4.531 1.00 0.37 H new ATOM 0 HD22 LEU A 68 -14.535 -0.026 4.660 1.00 0.37 H new ATOM 0 HD23 LEU A 68 -13.762 -0.924 5.988 1.00 0.37 H new ATOM 1149 N ASP A 69 -16.754 1.278 9.459 1.00 0.47 N ATOM 1150 CA ASP A 69 -17.300 2.378 10.260 1.00 0.52 C ATOM 1151 C ASP A 69 -16.429 2.676 11.482 1.00 0.58 C ATOM 1152 O ASP A 69 -16.548 3.738 12.093 1.00 0.65 O ATOM 1153 CB ASP A 69 -18.733 2.030 10.686 1.00 0.58 C ATOM 1154 CG ASP A 69 -19.300 2.958 11.747 1.00 0.86 C ATOM 1155 OD1 ASP A 69 -19.736 4.077 11.404 1.00 1.14 O ATOM 1156 OD2 ASP A 69 -19.331 2.555 12.930 1.00 1.16 O ATOM 0 H ASP A 69 -17.341 0.444 9.454 1.00 0.47 H new ATOM 0 HA ASP A 69 -17.309 3.280 9.649 1.00 0.52 H new ATOM 0 HB2 ASP A 69 -19.380 2.058 9.809 1.00 0.58 H new ATOM 0 HB3 ASP A 69 -18.752 1.008 11.063 1.00 0.58 H new ATOM 1161 N TYR A 70 -15.547 1.740 11.826 1.00 0.59 N ATOM 1162 CA TYR A 70 -14.597 1.942 12.912 1.00 0.65 C ATOM 1163 C TYR A 70 -13.775 3.213 12.682 1.00 0.62 C ATOM 1164 O TYR A 70 -13.448 3.933 13.625 1.00 0.67 O ATOM 1165 CB TYR A 70 -13.698 0.702 13.054 1.00 0.69 C ATOM 1166 CG TYR A 70 -12.320 0.980 13.613 1.00 0.81 C ATOM 1167 CD1 TYR A 70 -12.116 1.204 14.970 1.00 1.02 C ATOM 1168 CD2 TYR A 70 -11.220 1.022 12.772 1.00 0.84 C ATOM 1169 CE1 TYR A 70 -10.851 1.461 15.467 1.00 1.21 C ATOM 1170 CE2 TYR A 70 -9.957 1.277 13.258 1.00 1.05 C ATOM 1171 CZ TYR A 70 -9.774 1.495 14.605 1.00 1.22 C ATOM 1172 OH TYR A 70 -8.509 1.751 15.086 1.00 1.45 O ATOM 0 H TYR A 70 -15.472 0.833 11.366 1.00 0.59 H new ATOM 0 HA TYR A 70 -15.143 2.075 13.846 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -14.198 -0.020 13.699 1.00 0.69 H new ATOM 0 HB3 TYR A 70 -13.590 0.234 12.075 1.00 0.69 H new ATOM 0 HD1 TYR A 70 -12.958 1.177 15.646 1.00 1.02 H new ATOM 0 HD2 TYR A 70 -11.356 0.851 11.714 1.00 0.84 H new ATOM 0 HE1 TYR A 70 -10.707 1.634 16.523 1.00 1.21 H new ATOM 0 HE2 TYR A 70 -9.113 1.306 12.585 1.00 1.05 H new ATOM 0 HH TYR A 70 -7.868 1.737 14.345 1.00 1.45 H new ATOM 1182 N TYR A 71 -13.439 3.480 11.425 1.00 0.57 N ATOM 1183 CA TYR A 71 -12.762 4.721 11.066 1.00 0.58 C ATOM 1184 C TYR A 71 -13.760 5.875 10.938 1.00 0.60 C ATOM 1185 O TYR A 71 -14.764 5.928 11.646 1.00 0.69 O ATOM 1186 CB TYR A 71 -11.967 4.551 9.773 1.00 0.56 C ATOM 1187 CG TYR A 71 -10.666 3.806 9.951 1.00 0.56 C ATOM 1188 CD1 TYR A 71 -9.577 4.406 10.573 1.00 0.58 C ATOM 1189 CD2 TYR A 71 -10.525 2.509 9.492 1.00 0.62 C ATOM 1190 CE1 TYR A 71 -8.381 3.727 10.728 1.00 0.63 C ATOM 1191 CE2 TYR A 71 -9.336 1.825 9.645 1.00 0.66 C ATOM 1192 CZ TYR A 71 -8.269 2.434 10.263 1.00 0.65 C ATOM 1193 OH TYR A 71 -7.088 1.747 10.409 1.00 0.72 O ATOM 0 H TYR A 71 -13.624 2.856 10.639 1.00 0.57 H new ATOM 0 HA TYR A 71 -12.064 4.965 11.867 1.00 0.58 H new ATOM 0 HB2 TYR A 71 -12.582 4.020 9.046 1.00 0.56 H new ATOM 0 HB3 TYR A 71 -11.757 5.535 9.355 1.00 0.56 H new ATOM 0 HD1 TYR A 71 -9.666 5.418 10.941 1.00 0.58 H new ATOM 0 HD2 TYR A 71 -11.359 2.024 9.006 1.00 0.62 H new ATOM 0 HE1 TYR A 71 -7.542 4.207 11.210 1.00 0.63 H new ATOM 0 HE2 TYR A 71 -9.244 0.813 9.280 1.00 0.66 H new ATOM 0 HH TYR A 71 -7.182 0.849 10.027 1.00 0.72 H new ATOM 1203 N MET A 72 -13.477 6.792 10.023 1.00 0.60 N ATOM 1204 CA MET A 72 -14.278 8.001 9.871 1.00 0.69 C ATOM 1205 C MET A 72 -15.201 7.925 8.658 1.00 0.63 C ATOM 1206 O MET A 72 -15.796 8.931 8.267 1.00 0.75 O ATOM 1207 CB MET A 72 -13.358 9.213 9.725 1.00 0.83 C ATOM 1208 CG MET A 72 -12.513 9.498 10.956 1.00 1.02 C ATOM 1209 SD MET A 72 -11.325 10.830 10.689 1.00 1.73 S ATOM 1210 CE MET A 72 -12.418 12.170 10.220 1.00 2.38 C ATOM 0 H MET A 72 -12.695 6.722 9.372 1.00 0.60 H new ATOM 0 HA MET A 72 -14.898 8.099 10.762 1.00 0.69 H new ATOM 0 HB2 MET A 72 -12.698 9.055 8.872 1.00 0.83 H new ATOM 0 HB3 MET A 72 -13.963 10.091 9.501 1.00 0.83 H new ATOM 0 HG2 MET A 72 -13.167 9.760 11.788 1.00 1.02 H new ATOM 0 HG3 MET A 72 -11.979 8.592 11.243 1.00 1.02 H new ATOM 0 HE1 MET A 72 -11.891 13.119 10.315 1.00 2.38 H new ATOM 0 HE2 MET A 72 -12.738 12.034 9.187 1.00 2.38 H new ATOM 0 HE3 MET A 72 -13.291 12.173 10.873 1.00 2.38 H new ATOM 1220 N LEU A 73 -15.339 6.744 8.072 1.00 0.56 N ATOM 1221 CA LEU A 73 -16.113 6.610 6.844 1.00 0.54 C ATOM 1222 C LEU A 73 -17.514 6.123 7.111 1.00 0.50 C ATOM 1223 O LEU A 73 -17.743 5.213 7.908 1.00 0.60 O ATOM 1224 CB LEU A 73 -15.440 5.692 5.822 1.00 0.71 C ATOM 1225 CG LEU A 73 -14.589 4.570 6.395 1.00 0.43 C ATOM 1226 CD1 LEU A 73 -14.564 3.386 5.447 1.00 0.88 C ATOM 1227 CD2 LEU A 73 -13.185 5.082 6.628 1.00 0.88 C ATOM 0 H LEU A 73 -14.932 5.876 8.420 1.00 0.56 H new ATOM 0 HA LEU A 73 -16.163 7.613 6.420 1.00 0.54 H new ATOM 0 HB2 LEU A 73 -16.214 5.250 5.194 1.00 0.71 H new ATOM 0 HB3 LEU A 73 -14.812 6.302 5.172 1.00 0.71 H new ATOM 0 HG LEU A 73 -15.019 4.240 7.341 1.00 0.43 H new ATOM 0 HD11 LEU A 73 -13.950 2.592 5.873 1.00 0.88 H new ATOM 0 HD12 LEU A 73 -15.579 3.019 5.296 1.00 0.88 H new ATOM 0 HD13 LEU A 73 -14.144 3.695 4.490 1.00 0.88 H new ATOM 0 HD21 LEU A 73 -12.569 4.282 7.039 1.00 0.88 H new ATOM 0 HD22 LEU A 73 -12.759 5.419 5.683 1.00 0.88 H new ATOM 0 HD23 LEU A 73 -13.213 5.915 7.330 1.00 0.88 H new ATOM 1239 N ARG A 74 -18.436 6.758 6.421 1.00 0.48 N ATOM 1240 CA ARG A 74 -19.847 6.452 6.499 1.00 0.52 C ATOM 1241 C ARG A 74 -20.460 6.725 5.130 1.00 0.46 C ATOM 1242 O ARG A 74 -19.778 6.616 4.112 1.00 0.45 O ATOM 1243 CB ARG A 74 -20.526 7.312 7.572 1.00 0.65 C ATOM 1244 CG ARG A 74 -19.960 7.141 8.965 1.00 1.17 C ATOM 1245 CD ARG A 74 -19.964 8.462 9.712 1.00 1.64 C ATOM 1246 NE ARG A 74 -19.089 9.453 9.079 1.00 2.05 N ATOM 1247 CZ ARG A 74 -18.649 10.559 9.679 1.00 2.72 C ATOM 1248 NH1 ARG A 74 -19.022 10.843 10.922 1.00 2.96 N ATOM 1249 NH2 ARG A 74 -17.836 11.383 9.030 1.00 3.29 N ATOM 0 H ARG A 74 -18.220 7.518 5.776 1.00 0.48 H new ATOM 0 HA ARG A 74 -19.991 5.408 6.776 1.00 0.52 H new ATOM 0 HB2 ARG A 74 -20.442 8.360 7.286 1.00 0.65 H new ATOM 0 HB3 ARG A 74 -21.589 7.071 7.593 1.00 0.65 H new ATOM 0 HG2 ARG A 74 -20.548 6.405 9.514 1.00 1.17 H new ATOM 0 HG3 ARG A 74 -18.942 6.755 8.905 1.00 1.17 H new ATOM 0 HD2 ARG A 74 -20.981 8.851 9.755 1.00 1.64 H new ATOM 0 HD3 ARG A 74 -19.642 8.298 10.740 1.00 1.64 H new ATOM 0 HE ARG A 74 -18.798 9.285 8.116 1.00 2.05 H new ATOM 0 HH11 ARG A 74 -19.649 10.213 11.423 1.00 2.96 H new ATOM 0 HH12 ARG A 74 -18.682 11.691 11.375 1.00 2.96 H new ATOM 0 HH21 ARG A 74 -17.549 11.169 8.075 1.00 3.29 H new ATOM 0 HH22 ARG A 74 -17.498 12.230 9.486 1.00 3.29 H new ATOM 1263 N ASN A 75 -21.728 7.088 5.103 1.00 0.49 N ATOM 1264 CA ASN A 75 -22.401 7.405 3.848 1.00 0.47 C ATOM 1265 C ASN A 75 -21.828 8.668 3.219 1.00 0.48 C ATOM 1266 O ASN A 75 -22.148 9.780 3.640 1.00 0.56 O ATOM 1267 CB ASN A 75 -23.906 7.568 4.069 1.00 0.52 C ATOM 1268 CG ASN A 75 -24.646 6.255 3.955 1.00 0.52 C ATOM 1269 OD1 ASN A 75 -25.169 5.916 2.898 1.00 0.72 O ATOM 1270 ND2 ASN A 75 -24.679 5.497 5.029 1.00 0.51 N ATOM 0 H ASN A 75 -22.316 7.172 5.932 1.00 0.49 H new ATOM 0 HA ASN A 75 -22.232 6.574 3.164 1.00 0.47 H new ATOM 0 HB2 ASN A 75 -24.082 7.998 5.055 1.00 0.52 H new ATOM 0 HB3 ASN A 75 -24.304 8.272 3.339 1.00 0.52 H new ATOM 0 HD21 ASN A 75 -25.151 4.593 5.001 1.00 0.51 H new ATOM 0 HD22 ASN A 75 -24.233 5.813 5.890 1.00 0.51 H new ATOM 1277 N GLY A 76 -20.968 8.492 2.225 1.00 0.45 N ATOM 1278 CA GLY A 76 -20.425 9.631 1.522 1.00 0.51 C ATOM 1279 C GLY A 76 -18.958 9.480 1.176 1.00 0.47 C ATOM 1280 O GLY A 76 -18.514 9.979 0.139 1.00 0.55 O ATOM 0 H GLY A 76 -20.639 7.584 1.896 1.00 0.45 H new ATOM 0 HA2 GLY A 76 -20.993 9.787 0.605 1.00 0.51 H new ATOM 0 HA3 GLY A 76 -20.556 10.523 2.134 1.00 0.51 H new ATOM 1284 N ASP A 77 -18.199 8.788 2.022 1.00 0.42 N ATOM 1285 CA ASP A 77 -16.759 8.704 1.847 1.00 0.42 C ATOM 1286 C ASP A 77 -16.386 7.862 0.637 1.00 0.38 C ATOM 1287 O ASP A 77 -17.111 6.945 0.243 1.00 0.40 O ATOM 1288 CB ASP A 77 -16.101 8.140 3.104 1.00 0.44 C ATOM 1289 CG ASP A 77 -16.336 9.025 4.306 1.00 0.74 C ATOM 1290 OD1 ASP A 77 -15.559 9.984 4.507 1.00 1.05 O ATOM 1291 OD2 ASP A 77 -17.310 8.781 5.045 1.00 1.00 O ATOM 0 H ASP A 77 -18.559 8.281 2.831 1.00 0.42 H new ATOM 0 HA ASP A 77 -16.391 9.715 1.674 1.00 0.42 H new ATOM 0 HB2 ASP A 77 -16.494 7.143 3.304 1.00 0.44 H new ATOM 0 HB3 ASP A 77 -15.029 8.032 2.936 1.00 0.44 H new ATOM 1296 N THR A 78 -15.254 8.196 0.044 1.00 0.36 N ATOM 1297 CA THR A 78 -14.746 7.473 -1.103 1.00 0.35 C ATOM 1298 C THR A 78 -13.741 6.425 -0.645 1.00 0.31 C ATOM 1299 O THR A 78 -12.883 6.702 0.198 1.00 0.34 O ATOM 1300 CB THR A 78 -14.082 8.445 -2.097 1.00 0.42 C ATOM 1301 OG1 THR A 78 -14.999 9.504 -2.404 1.00 0.50 O ATOM 1302 CG2 THR A 78 -13.671 7.741 -3.382 1.00 0.42 C ATOM 0 H THR A 78 -14.665 8.973 0.344 1.00 0.36 H new ATOM 0 HA THR A 78 -15.577 6.977 -1.605 1.00 0.35 H new ATOM 0 HB THR A 78 -13.181 8.845 -1.632 1.00 0.42 H new ATOM 0 HG1 THR A 78 -14.581 10.126 -3.035 1.00 0.50 H new ATOM 0 HG21 THR A 78 -13.207 8.459 -4.058 1.00 0.42 H new ATOM 0 HG22 THR A 78 -12.960 6.948 -3.151 1.00 0.42 H new ATOM 0 HG23 THR A 78 -14.552 7.311 -3.859 1.00 0.42 H new ATOM 1310 N MET A 79 -13.849 5.225 -1.189 1.00 0.27 N ATOM 1311 CA MET A 79 -12.969 4.142 -0.804 1.00 0.27 C ATOM 1312 C MET A 79 -12.382 3.500 -2.049 1.00 0.28 C ATOM 1313 O MET A 79 -13.089 2.891 -2.849 1.00 0.27 O ATOM 1314 CB MET A 79 -13.719 3.105 0.033 1.00 0.23 C ATOM 1315 CG MET A 79 -12.795 2.155 0.772 1.00 0.27 C ATOM 1316 SD MET A 79 -13.687 0.945 1.764 1.00 0.65 S ATOM 1317 CE MET A 79 -14.395 -0.075 0.480 1.00 0.24 C ATOM 0 H MET A 79 -14.539 4.979 -1.899 1.00 0.27 H new ATOM 0 HA MET A 79 -12.160 4.543 -0.193 1.00 0.27 H new ATOM 0 HB2 MET A 79 -14.354 3.619 0.754 1.00 0.23 H new ATOM 0 HB3 MET A 79 -14.377 2.529 -0.617 1.00 0.23 H new ATOM 0 HG2 MET A 79 -12.165 1.634 0.051 1.00 0.27 H new ATOM 0 HG3 MET A 79 -12.132 2.730 1.418 1.00 0.27 H new ATOM 0 HE1 MET A 79 -14.294 -1.126 0.752 1.00 0.24 H new ATOM 0 HE2 MET A 79 -15.451 0.169 0.362 1.00 0.24 H new ATOM 0 HE3 MET A 79 -13.873 0.108 -0.459 1.00 0.24 H new ATOM 1327 N GLU A 80 -11.089 3.663 -2.208 1.00 0.32 N ATOM 1328 CA GLU A 80 -10.392 3.170 -3.376 1.00 0.35 C ATOM 1329 C GLU A 80 -10.150 1.669 -3.230 1.00 0.33 C ATOM 1330 O GLU A 80 -9.554 1.232 -2.245 1.00 0.33 O ATOM 1331 CB GLU A 80 -9.057 3.924 -3.483 1.00 0.40 C ATOM 1332 CG GLU A 80 -8.402 3.886 -4.853 1.00 0.53 C ATOM 1333 CD GLU A 80 -7.118 4.697 -4.901 1.00 0.69 C ATOM 1334 OE1 GLU A 80 -7.134 5.871 -4.478 1.00 1.04 O ATOM 1335 OE2 GLU A 80 -6.085 4.162 -5.352 1.00 1.04 O ATOM 0 H GLU A 80 -10.491 4.140 -1.534 1.00 0.32 H new ATOM 0 HA GLU A 80 -10.982 3.334 -4.278 1.00 0.35 H new ATOM 0 HB2 GLU A 80 -9.223 4.965 -3.206 1.00 0.40 H new ATOM 0 HB3 GLU A 80 -8.363 3.506 -2.754 1.00 0.40 H new ATOM 0 HG2 GLU A 80 -8.186 2.852 -5.121 1.00 0.53 H new ATOM 0 HG3 GLU A 80 -9.100 4.270 -5.598 1.00 0.53 H new ATOM 1342 N TYR A 81 -10.594 0.866 -4.195 1.00 0.33 N ATOM 1343 CA TYR A 81 -10.245 -0.543 -4.196 1.00 0.33 C ATOM 1344 C TYR A 81 -9.088 -0.722 -5.140 1.00 0.36 C ATOM 1345 O TYR A 81 -9.241 -0.662 -6.363 1.00 0.39 O ATOM 1346 CB TYR A 81 -11.413 -1.443 -4.620 1.00 0.33 C ATOM 1347 CG TYR A 81 -11.129 -2.926 -4.432 1.00 0.33 C ATOM 1348 CD1 TYR A 81 -11.407 -3.552 -3.226 1.00 0.34 C ATOM 1349 CD2 TYR A 81 -10.578 -3.697 -5.452 1.00 0.37 C ATOM 1350 CE1 TYR A 81 -11.148 -4.896 -3.036 1.00 0.36 C ATOM 1351 CE2 TYR A 81 -10.313 -5.045 -5.268 1.00 0.39 C ATOM 1352 CZ TYR A 81 -10.601 -5.637 -4.058 1.00 0.38 C ATOM 1353 OH TYR A 81 -10.338 -6.975 -3.869 1.00 0.42 O ATOM 0 H TYR A 81 -11.185 1.165 -4.971 1.00 0.33 H new ATOM 0 HA TYR A 81 -9.984 -0.841 -3.181 1.00 0.33 H new ATOM 0 HB2 TYR A 81 -12.298 -1.174 -4.043 1.00 0.33 H new ATOM 0 HB3 TYR A 81 -11.646 -1.255 -5.668 1.00 0.33 H new ATOM 0 HD1 TYR A 81 -11.835 -2.977 -2.418 1.00 0.34 H new ATOM 0 HD2 TYR A 81 -10.353 -3.237 -6.403 1.00 0.37 H new ATOM 0 HE1 TYR A 81 -11.374 -5.363 -2.089 1.00 0.36 H new ATOM 0 HE2 TYR A 81 -9.883 -5.628 -6.069 1.00 0.39 H new ATOM 0 HH TYR A 81 -10.669 -7.252 -2.989 1.00 0.42 H new ATOM 1363 N ARG A 82 -7.929 -0.891 -4.570 1.00 0.37 N ATOM 1364 CA ARG A 82 -6.714 -0.891 -5.352 1.00 0.39 C ATOM 1365 C ARG A 82 -5.795 -2.014 -4.938 1.00 0.40 C ATOM 1366 O ARG A 82 -6.060 -2.739 -3.977 1.00 0.42 O ATOM 1367 CB ARG A 82 -5.992 0.447 -5.215 1.00 0.42 C ATOM 1368 CG ARG A 82 -5.688 0.820 -3.777 1.00 0.44 C ATOM 1369 CD ARG A 82 -4.856 2.084 -3.691 1.00 0.56 C ATOM 1370 NE ARG A 82 -3.497 1.902 -4.203 1.00 0.65 N ATOM 1371 CZ ARG A 82 -2.766 2.895 -4.705 1.00 0.88 C ATOM 1372 NH1 ARG A 82 -3.329 4.072 -4.948 1.00 1.08 N ATOM 1373 NH2 ARG A 82 -1.492 2.695 -5.022 1.00 1.03 N ATOM 0 H ARG A 82 -7.794 -1.031 -3.569 1.00 0.37 H new ATOM 0 HA ARG A 82 -6.992 -1.043 -6.395 1.00 0.39 H new ATOM 0 HB2 ARG A 82 -5.059 0.408 -5.778 1.00 0.42 H new ATOM 0 HB3 ARG A 82 -6.603 1.230 -5.665 1.00 0.42 H new ATOM 0 HG2 ARG A 82 -6.622 0.961 -3.232 1.00 0.44 H new ATOM 0 HG3 ARG A 82 -5.157 0.001 -3.293 1.00 0.44 H new ATOM 0 HD2 ARG A 82 -5.349 2.877 -4.254 1.00 0.56 H new ATOM 0 HD3 ARG A 82 -4.808 2.412 -2.653 1.00 0.56 H new ATOM 0 HE ARG A 82 -3.089 0.967 -4.174 1.00 0.65 H new ATOM 0 HH11 ARG A 82 -4.319 4.214 -4.750 1.00 1.08 H new ATOM 0 HH12 ARG A 82 -2.771 4.834 -5.333 1.00 1.08 H new ATOM 0 HH21 ARG A 82 -1.069 1.777 -4.881 1.00 1.03 H new ATOM 0 HH22 ARG A 82 -0.936 3.459 -5.406 1.00 1.03 H new ATOM 1387 N LYS A 83 -4.712 -2.137 -5.671 1.00 0.43 N ATOM 1388 CA LYS A 83 -3.637 -3.024 -5.305 1.00 0.45 C ATOM 1389 C LYS A 83 -2.989 -2.501 -4.031 1.00 0.42 C ATOM 1390 O LYS A 83 -2.610 -1.328 -3.971 1.00 0.42 O ATOM 1391 CB LYS A 83 -2.632 -3.077 -6.458 1.00 0.53 C ATOM 1392 CG LYS A 83 -1.442 -3.978 -6.213 1.00 0.60 C ATOM 1393 CD LYS A 83 -1.087 -4.754 -7.466 1.00 0.70 C ATOM 1394 CE LYS A 83 0.077 -5.694 -7.229 1.00 1.25 C ATOM 1395 NZ LYS A 83 -0.233 -7.069 -7.691 1.00 1.74 N ATOM 0 H LYS A 83 -4.554 -1.624 -6.538 1.00 0.43 H new ATOM 0 HA LYS A 83 -4.004 -4.033 -5.119 1.00 0.45 H new ATOM 0 HB2 LYS A 83 -3.148 -3.414 -7.357 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -2.272 -2.067 -6.656 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -0.587 -3.381 -5.895 1.00 0.60 H new ATOM 0 HG3 LYS A 83 -1.666 -4.671 -5.402 1.00 0.60 H new ATOM 0 HD2 LYS A 83 -1.954 -5.324 -7.799 1.00 0.70 H new ATOM 0 HD3 LYS A 83 -0.836 -4.058 -8.267 1.00 0.70 H new ATOM 0 HE2 LYS A 83 0.958 -5.323 -7.752 1.00 1.25 H new ATOM 0 HE3 LYS A 83 0.321 -5.712 -6.167 1.00 1.25 H new ATOM 0 HZ1 LYS A 83 0.578 -7.691 -7.499 1.00 1.74 H new ATOM 0 HZ2 LYS A 83 -1.070 -7.425 -7.186 1.00 1.74 H new ATOM 0 HZ3 LYS A 83 -0.425 -7.057 -8.713 1.00 1.74 H new ATOM 1409 N LYS A 84 -2.896 -3.343 -3.001 1.00 0.44 N ATOM 1410 CA LYS A 84 -2.278 -2.924 -1.747 1.00 0.46 C ATOM 1411 C LYS A 84 -0.825 -2.596 -1.979 1.00 0.46 C ATOM 1412 O LYS A 84 -0.226 -1.807 -1.251 1.00 0.52 O ATOM 1413 CB LYS A 84 -2.363 -3.996 -0.659 1.00 0.54 C ATOM 1414 CG LYS A 84 -3.751 -4.232 -0.097 1.00 0.55 C ATOM 1415 CD LYS A 84 -3.659 -4.797 1.312 1.00 0.66 C ATOM 1416 CE LYS A 84 -5.001 -5.293 1.818 1.00 0.67 C ATOM 1417 NZ LYS A 84 -4.889 -5.899 3.172 1.00 1.32 N ATOM 0 H LYS A 84 -3.236 -4.305 -3.011 1.00 0.44 H new ATOM 0 HA LYS A 84 -2.829 -2.048 -1.404 1.00 0.46 H new ATOM 0 HB2 LYS A 84 -1.988 -4.935 -1.066 1.00 0.54 H new ATOM 0 HB3 LYS A 84 -1.699 -3.715 0.159 1.00 0.54 H new ATOM 0 HG2 LYS A 84 -4.310 -3.297 -0.086 1.00 0.55 H new ATOM 0 HG3 LYS A 84 -4.298 -4.923 -0.738 1.00 0.55 H new ATOM 0 HD2 LYS A 84 -2.941 -5.617 1.327 1.00 0.66 H new ATOM 0 HD3 LYS A 84 -3.280 -4.029 1.986 1.00 0.66 H new ATOM 0 HE2 LYS A 84 -5.708 -4.464 1.848 1.00 0.67 H new ATOM 0 HE3 LYS A 84 -5.403 -6.029 1.122 1.00 0.67 H new ATOM 0 HZ1 LYS A 84 -5.825 -6.226 3.484 1.00 1.32 H new ATOM 0 HZ2 LYS A 84 -4.234 -6.706 3.138 1.00 1.32 H new ATOM 0 HZ3 LYS A 84 -4.529 -5.189 3.841 1.00 1.32 H new ATOM 1431 N GLN A 85 -0.266 -3.201 -3.007 1.00 0.44 N ATOM 1432 CA GLN A 85 1.131 -3.052 -3.316 1.00 0.47 C ATOM 1433 C GLN A 85 1.333 -1.883 -4.260 1.00 0.52 C ATOM 1434 O GLN A 85 0.497 -1.613 -5.119 1.00 0.83 O ATOM 1435 CB GLN A 85 1.661 -4.338 -3.946 1.00 0.53 C ATOM 1436 CG GLN A 85 0.829 -5.562 -3.607 1.00 0.50 C ATOM 1437 CD GLN A 85 1.584 -6.856 -3.799 1.00 0.64 C ATOM 1438 OE1 GLN A 85 1.625 -7.411 -4.899 1.00 1.10 O ATOM 1439 NE2 GLN A 85 2.150 -7.370 -2.721 1.00 0.72 N ATOM 0 H GLN A 85 -0.773 -3.810 -3.649 1.00 0.44 H new ATOM 0 HA GLN A 85 1.681 -2.856 -2.396 1.00 0.47 H new ATOM 0 HB2 GLN A 85 1.692 -4.217 -5.029 1.00 0.53 H new ATOM 0 HB3 GLN A 85 2.686 -4.501 -3.614 1.00 0.53 H new ATOM 0 HG2 GLN A 85 0.494 -5.492 -2.572 1.00 0.50 H new ATOM 0 HG3 GLN A 85 -0.065 -5.572 -4.231 1.00 0.50 H new ATOM 0 HE21 GLN A 85 2.092 -6.877 -1.830 1.00 0.72 H new ATOM 0 HE22 GLN A 85 2.645 -8.260 -2.780 1.00 0.72 H new ATOM 1448 N ARG A 86 2.436 -1.187 -4.085 1.00 0.50 N ATOM 1449 CA ARG A 86 2.765 -0.060 -4.933 1.00 0.52 C ATOM 1450 C ARG A 86 4.103 -0.281 -5.631 1.00 0.50 C ATOM 1451 O ARG A 86 4.942 -1.046 -5.147 1.00 0.53 O ATOM 1452 CB ARG A 86 2.763 1.243 -4.118 1.00 0.67 C ATOM 1453 CG ARG A 86 3.234 1.105 -2.672 1.00 0.85 C ATOM 1454 CD ARG A 86 4.710 0.740 -2.557 1.00 0.98 C ATOM 1455 NE ARG A 86 5.551 1.539 -3.448 1.00 1.13 N ATOM 1456 CZ ARG A 86 5.802 2.839 -3.292 1.00 1.24 C ATOM 1457 NH1 ARG A 86 5.254 3.519 -2.293 1.00 1.62 N ATOM 1458 NH2 ARG A 86 6.595 3.461 -4.156 1.00 1.85 N ATOM 0 H ARG A 86 3.124 -1.383 -3.358 1.00 0.50 H new ATOM 0 HA ARG A 86 2.002 0.028 -5.707 1.00 0.52 H new ATOM 0 HB2 ARG A 86 3.399 1.970 -4.623 1.00 0.67 H new ATOM 0 HB3 ARG A 86 1.752 1.651 -4.117 1.00 0.67 H new ATOM 0 HG2 ARG A 86 3.056 2.043 -2.147 1.00 0.85 H new ATOM 0 HG3 ARG A 86 2.637 0.342 -2.173 1.00 0.85 H new ATOM 0 HD2 ARG A 86 5.038 0.882 -1.527 1.00 0.98 H new ATOM 0 HD3 ARG A 86 4.840 -0.317 -2.790 1.00 0.98 H new ATOM 0 HE ARG A 86 5.976 1.067 -4.246 1.00 1.13 H new ATOM 0 HH11 ARG A 86 4.634 3.047 -1.635 1.00 1.62 H new ATOM 0 HH12 ARG A 86 5.453 4.513 -2.183 1.00 1.62 H new ATOM 0 HH21 ARG A 86 7.008 2.944 -4.933 1.00 1.85 H new ATOM 0 HH22 ARG A 86 6.792 4.455 -4.043 1.00 1.85 H new ATOM 1472 N PRO A 87 4.314 0.369 -6.788 1.00 0.52 N ATOM 1473 CA PRO A 87 5.543 0.216 -7.567 1.00 0.52 C ATOM 1474 C PRO A 87 6.770 0.750 -6.832 1.00 0.53 C ATOM 1475 O PRO A 87 6.942 1.961 -6.658 1.00 0.62 O ATOM 1476 CB PRO A 87 5.279 1.027 -8.841 1.00 0.57 C ATOM 1477 CG PRO A 87 4.197 1.983 -8.475 1.00 0.86 C ATOM 1478 CD PRO A 87 3.362 1.289 -7.437 1.00 0.60 C ATOM 0 HA PRO A 87 5.765 -0.833 -7.762 1.00 0.52 H new ATOM 0 HB2 PRO A 87 6.176 1.553 -9.166 1.00 0.57 H new ATOM 0 HB3 PRO A 87 4.972 0.381 -9.663 1.00 0.57 H new ATOM 0 HG2 PRO A 87 4.613 2.911 -8.084 1.00 0.86 H new ATOM 0 HG3 PRO A 87 3.597 2.245 -9.347 1.00 0.86 H new ATOM 0 HD2 PRO A 87 2.938 1.996 -6.724 1.00 0.60 H new ATOM 0 HD3 PRO A 87 2.527 0.751 -7.887 1.00 0.60 H new ATOM 1486 N LEU A 88 7.590 -0.165 -6.350 1.00 0.50 N ATOM 1487 CA LEU A 88 8.842 0.191 -5.708 1.00 0.53 C ATOM 1488 C LEU A 88 10.007 -0.020 -6.659 1.00 0.44 C ATOM 1489 O LEU A 88 10.266 -1.144 -7.091 1.00 0.42 O ATOM 1490 CB LEU A 88 9.044 -0.624 -4.434 1.00 0.63 C ATOM 1491 CG LEU A 88 8.282 -0.111 -3.214 1.00 0.88 C ATOM 1492 CD1 LEU A 88 8.158 -1.201 -2.174 1.00 1.19 C ATOM 1493 CD2 LEU A 88 8.988 1.100 -2.616 1.00 1.51 C ATOM 0 H LEU A 88 7.410 -1.168 -6.392 1.00 0.50 H new ATOM 0 HA LEU A 88 8.800 1.247 -5.439 1.00 0.53 H new ATOM 0 HB2 LEU A 88 8.741 -1.653 -4.627 1.00 0.63 H new ATOM 0 HB3 LEU A 88 10.108 -0.644 -4.198 1.00 0.63 H new ATOM 0 HG LEU A 88 7.283 0.187 -3.533 1.00 0.88 H new ATOM 0 HD11 LEU A 88 7.613 -0.820 -1.311 1.00 1.19 H new ATOM 0 HD12 LEU A 88 7.620 -2.049 -2.598 1.00 1.19 H new ATOM 0 HD13 LEU A 88 9.152 -1.521 -1.862 1.00 1.19 H new ATOM 0 HD21 LEU A 88 8.432 1.453 -1.748 1.00 1.51 H new ATOM 0 HD22 LEU A 88 9.996 0.820 -2.312 1.00 1.51 H new ATOM 0 HD23 LEU A 88 9.041 1.894 -3.360 1.00 1.51 H new ATOM 1505 N LYS A 89 10.695 1.057 -6.995 1.00 0.44 N ATOM 1506 CA LYS A 89 11.905 0.948 -7.788 1.00 0.42 C ATOM 1507 C LYS A 89 13.087 0.826 -6.855 1.00 0.39 C ATOM 1508 O LYS A 89 13.382 1.740 -6.100 1.00 0.42 O ATOM 1509 CB LYS A 89 12.093 2.143 -8.730 1.00 0.51 C ATOM 1510 CG LYS A 89 11.162 2.121 -9.929 1.00 0.69 C ATOM 1511 CD LYS A 89 9.808 2.720 -9.605 1.00 0.93 C ATOM 1512 CE LYS A 89 9.811 4.228 -9.801 1.00 1.49 C ATOM 1513 NZ LYS A 89 10.036 4.599 -11.226 1.00 2.11 N ATOM 0 H LYS A 89 10.439 2.009 -6.733 1.00 0.44 H new ATOM 0 HA LYS A 89 11.824 0.062 -8.418 1.00 0.42 H new ATOM 0 HB2 LYS A 89 11.931 3.065 -8.171 1.00 0.51 H new ATOM 0 HB3 LYS A 89 13.125 2.160 -9.081 1.00 0.51 H new ATOM 0 HG2 LYS A 89 11.616 2.674 -10.751 1.00 0.69 H new ATOM 0 HG3 LYS A 89 11.032 1.094 -10.269 1.00 0.69 H new ATOM 0 HD2 LYS A 89 9.047 2.270 -10.242 1.00 0.93 H new ATOM 0 HD3 LYS A 89 9.541 2.485 -8.575 1.00 0.93 H new ATOM 0 HE2 LYS A 89 8.860 4.640 -9.464 1.00 1.49 H new ATOM 0 HE3 LYS A 89 10.590 4.674 -9.182 1.00 1.49 H new ATOM 0 HZ1 LYS A 89 9.584 5.515 -11.422 1.00 2.11 H new ATOM 0 HZ2 LYS A 89 11.057 4.671 -11.409 1.00 2.11 H new ATOM 0 HZ3 LYS A 89 9.624 3.871 -11.844 1.00 2.11 H new ATOM 1527 N ILE A 90 13.754 -0.303 -6.922 1.00 0.36 N ATOM 1528 CA ILE A 90 14.828 -0.612 -5.992 1.00 0.33 C ATOM 1529 C ILE A 90 16.095 -0.930 -6.764 1.00 0.35 C ATOM 1530 O ILE A 90 16.044 -1.633 -7.769 1.00 0.36 O ATOM 1531 CB ILE A 90 14.479 -1.820 -5.087 1.00 0.32 C ATOM 1532 CG1 ILE A 90 13.142 -1.597 -4.369 1.00 0.35 C ATOM 1533 CG2 ILE A 90 15.591 -2.075 -4.073 1.00 0.33 C ATOM 1534 CD1 ILE A 90 13.144 -0.417 -3.417 1.00 0.36 C ATOM 0 H ILE A 90 13.574 -1.030 -7.614 1.00 0.36 H new ATOM 0 HA ILE A 90 14.973 0.262 -5.357 1.00 0.33 H new ATOM 0 HB ILE A 90 14.384 -2.700 -5.723 1.00 0.32 H new ATOM 0 HG12 ILE A 90 12.361 -1.448 -5.115 1.00 0.35 H new ATOM 0 HG13 ILE A 90 12.885 -2.499 -3.813 1.00 0.35 H new ATOM 0 HG21 ILE A 90 15.325 -2.927 -3.448 1.00 0.33 H new ATOM 0 HG22 ILE A 90 16.522 -2.287 -4.599 1.00 0.33 H new ATOM 0 HG23 ILE A 90 15.722 -1.193 -3.447 1.00 0.33 H new ATOM 0 HD11 ILE A 90 12.164 -0.326 -2.949 1.00 0.36 H new ATOM 0 HD12 ILE A 90 13.901 -0.571 -2.648 1.00 0.36 H new ATOM 0 HD13 ILE A 90 13.369 0.496 -3.969 1.00 0.36 H new ATOM 1546 N ARG A 91 17.223 -0.409 -6.311 1.00 0.38 N ATOM 1547 CA ARG A 91 18.502 -0.715 -6.923 1.00 0.43 C ATOM 1548 C ARG A 91 19.331 -1.576 -5.969 1.00 0.42 C ATOM 1549 O ARG A 91 19.523 -1.213 -4.804 1.00 0.44 O ATOM 1550 CB ARG A 91 19.254 0.578 -7.255 1.00 0.52 C ATOM 1551 CG ARG A 91 20.520 0.361 -8.070 1.00 0.57 C ATOM 1552 CD ARG A 91 21.272 1.664 -8.285 1.00 0.74 C ATOM 1553 NE ARG A 91 20.547 2.589 -9.154 1.00 0.72 N ATOM 1554 CZ ARG A 91 20.539 3.914 -9.003 1.00 1.09 C ATOM 1555 NH1 ARG A 91 21.196 4.488 -7.999 1.00 1.82 N ATOM 1556 NH2 ARG A 91 19.871 4.668 -9.869 1.00 1.12 N ATOM 0 H ARG A 91 17.277 0.230 -5.518 1.00 0.38 H new ATOM 0 HA ARG A 91 18.333 -1.264 -7.849 1.00 0.43 H new ATOM 0 HB2 ARG A 91 18.588 1.243 -7.805 1.00 0.52 H new ATOM 0 HB3 ARG A 91 19.514 1.085 -6.326 1.00 0.52 H new ATOM 0 HG2 ARG A 91 21.166 -0.353 -7.559 1.00 0.57 H new ATOM 0 HG3 ARG A 91 20.263 -0.076 -9.035 1.00 0.57 H new ATOM 0 HD2 ARG A 91 21.451 2.140 -7.321 1.00 0.74 H new ATOM 0 HD3 ARG A 91 22.248 1.450 -8.721 1.00 0.74 H new ATOM 0 HE ARG A 91 20.011 2.195 -9.927 1.00 0.72 H new ATOM 0 HH11 ARG A 91 21.714 3.914 -7.334 1.00 1.82 H new ATOM 0 HH12 ARG A 91 21.182 5.503 -7.894 1.00 1.82 H new ATOM 0 HH21 ARG A 91 19.369 4.233 -10.643 1.00 1.12 H new ATOM 0 HH22 ARG A 91 19.860 5.682 -9.760 1.00 1.12 H new ATOM 1570 N MET A 92 19.792 -2.723 -6.453 1.00 0.42 N ATOM 1571 CA MET A 92 20.609 -3.628 -5.653 1.00 0.44 C ATOM 1572 C MET A 92 22.065 -3.189 -5.670 1.00 0.48 C ATOM 1573 O MET A 92 22.441 -2.312 -6.448 1.00 0.51 O ATOM 1574 CB MET A 92 20.512 -5.068 -6.169 1.00 0.46 C ATOM 1575 CG MET A 92 19.204 -5.773 -5.844 1.00 0.57 C ATOM 1576 SD MET A 92 18.036 -5.785 -7.218 1.00 1.04 S ATOM 1577 CE MET A 92 17.053 -4.339 -6.846 1.00 0.34 C ATOM 0 H MET A 92 19.612 -3.050 -7.402 1.00 0.42 H new ATOM 0 HA MET A 92 20.229 -3.594 -4.632 1.00 0.44 H new ATOM 0 HB2 MET A 92 20.647 -5.062 -7.251 1.00 0.46 H new ATOM 0 HB3 MET A 92 21.335 -5.646 -5.749 1.00 0.46 H new ATOM 0 HG2 MET A 92 19.417 -6.800 -5.549 1.00 0.57 H new ATOM 0 HG3 MET A 92 18.740 -5.285 -4.987 1.00 0.57 H new ATOM 0 HE1 MET A 92 16.937 -3.736 -7.747 1.00 0.34 H new ATOM 0 HE2 MET A 92 16.071 -4.649 -6.487 1.00 0.34 H new ATOM 0 HE3 MET A 92 17.551 -3.749 -6.077 1.00 0.34 H new ATOM 1587 N LEU A 93 22.878 -3.850 -4.848 1.00 0.49 N ATOM 1588 CA LEU A 93 24.268 -3.452 -4.623 1.00 0.55 C ATOM 1589 C LEU A 93 25.073 -3.497 -5.918 1.00 0.61 C ATOM 1590 O LEU A 93 25.958 -2.670 -6.137 1.00 0.69 O ATOM 1591 CB LEU A 93 24.946 -4.359 -3.580 1.00 0.57 C ATOM 1592 CG LEU A 93 24.304 -4.413 -2.183 1.00 0.57 C ATOM 1593 CD1 LEU A 93 23.867 -3.033 -1.722 1.00 0.68 C ATOM 1594 CD2 LEU A 93 23.139 -5.393 -2.148 1.00 0.79 C ATOM 0 H LEU A 93 22.593 -4.675 -4.320 1.00 0.49 H new ATOM 0 HA LEU A 93 24.247 -2.428 -4.249 1.00 0.55 H new ATOM 0 HB2 LEU A 93 24.975 -5.373 -3.980 1.00 0.57 H new ATOM 0 HB3 LEU A 93 25.979 -4.032 -3.466 1.00 0.57 H new ATOM 0 HG LEU A 93 25.063 -4.771 -1.488 1.00 0.57 H new ATOM 0 HD11 LEU A 93 23.417 -3.106 -0.732 1.00 0.68 H new ATOM 0 HD12 LEU A 93 24.733 -2.372 -1.680 1.00 0.68 H new ATOM 0 HD13 LEU A 93 23.137 -2.629 -2.423 1.00 0.68 H new ATOM 0 HD21 LEU A 93 22.707 -5.408 -1.148 1.00 0.79 H new ATOM 0 HD22 LEU A 93 22.380 -5.082 -2.866 1.00 0.79 H new ATOM 0 HD23 LEU A 93 23.495 -6.391 -2.405 1.00 0.79 H new ATOM 1606 N ASP A 94 24.765 -4.470 -6.771 1.00 0.61 N ATOM 1607 CA ASP A 94 25.437 -4.607 -8.064 1.00 0.69 C ATOM 1608 C ASP A 94 25.137 -3.402 -8.954 1.00 0.66 C ATOM 1609 O ASP A 94 25.846 -3.128 -9.921 1.00 0.70 O ATOM 1610 CB ASP A 94 24.989 -5.897 -8.762 1.00 0.76 C ATOM 1611 CG ASP A 94 25.742 -6.168 -10.054 1.00 1.47 C ATOM 1612 OD1 ASP A 94 26.854 -6.733 -9.993 1.00 2.26 O ATOM 1613 OD2 ASP A 94 25.227 -5.824 -11.139 1.00 1.93 O ATOM 0 H ASP A 94 24.053 -5.178 -6.591 1.00 0.61 H new ATOM 0 HA ASP A 94 26.512 -4.654 -7.889 1.00 0.69 H new ATOM 0 HB2 ASP A 94 25.130 -6.738 -8.083 1.00 0.76 H new ATOM 0 HB3 ASP A 94 23.922 -5.835 -8.976 1.00 0.76 H new ATOM 1618 N GLY A 95 24.087 -2.677 -8.604 1.00 0.61 N ATOM 1619 CA GLY A 95 23.676 -1.532 -9.387 1.00 0.61 C ATOM 1620 C GLY A 95 22.493 -1.869 -10.259 1.00 0.58 C ATOM 1621 O GLY A 95 22.131 -1.114 -11.162 1.00 0.64 O ATOM 0 H GLY A 95 23.508 -2.863 -7.785 1.00 0.61 H new ATOM 0 HA2 GLY A 95 23.419 -0.706 -8.723 1.00 0.61 H new ATOM 0 HA3 GLY A 95 24.506 -1.195 -10.008 1.00 0.61 H new ATOM 1625 N THR A 96 21.891 -3.012 -9.985 1.00 0.54 N ATOM 1626 CA THR A 96 20.764 -3.490 -10.765 1.00 0.54 C ATOM 1627 C THR A 96 19.464 -2.980 -10.168 1.00 0.47 C ATOM 1628 O THR A 96 19.244 -3.101 -8.969 1.00 0.47 O ATOM 1629 CB THR A 96 20.743 -5.028 -10.790 1.00 0.62 C ATOM 1630 OG1 THR A 96 22.032 -5.523 -11.179 1.00 0.81 O ATOM 1631 CG2 THR A 96 19.683 -5.548 -11.748 1.00 0.61 C ATOM 0 H THR A 96 22.166 -3.631 -9.222 1.00 0.54 H new ATOM 0 HA THR A 96 20.868 -3.117 -11.784 1.00 0.54 H new ATOM 0 HB THR A 96 20.500 -5.382 -9.788 1.00 0.62 H new ATOM 0 HG1 THR A 96 22.016 -6.503 -11.192 1.00 0.81 H new ATOM 0 HG21 THR A 96 19.692 -6.638 -11.744 1.00 0.61 H new ATOM 0 HG22 THR A 96 18.702 -5.192 -11.433 1.00 0.61 H new ATOM 0 HG23 THR A 96 19.894 -5.187 -12.755 1.00 0.61 H new ATOM 1639 N VAL A 97 18.609 -2.411 -10.993 1.00 0.45 N ATOM 1640 CA VAL A 97 17.360 -1.864 -10.507 1.00 0.41 C ATOM 1641 C VAL A 97 16.181 -2.722 -10.961 1.00 0.38 C ATOM 1642 O VAL A 97 16.146 -3.215 -12.090 1.00 0.41 O ATOM 1643 CB VAL A 97 17.172 -0.389 -10.946 1.00 0.50 C ATOM 1644 CG1 VAL A 97 17.233 -0.251 -12.455 1.00 1.07 C ATOM 1645 CG2 VAL A 97 15.869 0.188 -10.410 1.00 1.11 C ATOM 0 H VAL A 97 18.755 -2.316 -11.998 1.00 0.45 H new ATOM 0 HA VAL A 97 17.396 -1.878 -9.418 1.00 0.41 H new ATOM 0 HB VAL A 97 17.996 0.182 -10.519 1.00 0.50 H new ATOM 0 HG11 VAL A 97 17.098 0.795 -12.730 1.00 1.07 H new ATOM 0 HG12 VAL A 97 18.202 -0.598 -12.813 1.00 1.07 H new ATOM 0 HG13 VAL A 97 16.443 -0.850 -12.907 1.00 1.07 H new ATOM 0 HG21 VAL A 97 15.768 1.223 -10.736 1.00 1.11 H new ATOM 0 HG22 VAL A 97 15.030 -0.395 -10.789 1.00 1.11 H new ATOM 0 HG23 VAL A 97 15.875 0.150 -9.321 1.00 1.11 H new ATOM 1655 N LYS A 98 15.236 -2.910 -10.060 1.00 0.35 N ATOM 1656 CA LYS A 98 14.030 -3.665 -10.360 1.00 0.35 C ATOM 1657 C LYS A 98 12.829 -2.963 -9.756 1.00 0.36 C ATOM 1658 O LYS A 98 12.970 -2.178 -8.819 1.00 0.37 O ATOM 1659 CB LYS A 98 14.111 -5.111 -9.845 1.00 0.38 C ATOM 1660 CG LYS A 98 13.974 -5.259 -8.334 1.00 0.41 C ATOM 1661 CD LYS A 98 13.629 -6.692 -7.932 1.00 0.43 C ATOM 1662 CE LYS A 98 12.251 -7.094 -8.442 1.00 0.43 C ATOM 1663 NZ LYS A 98 12.300 -7.742 -9.782 1.00 0.94 N ATOM 0 H LYS A 98 15.279 -2.548 -9.107 1.00 0.35 H new ATOM 0 HA LYS A 98 13.926 -3.713 -11.444 1.00 0.35 H new ATOM 0 HB2 LYS A 98 13.328 -5.698 -10.326 1.00 0.38 H new ATOM 0 HB3 LYS A 98 15.065 -5.539 -10.153 1.00 0.38 H new ATOM 0 HG2 LYS A 98 14.906 -4.961 -7.854 1.00 0.41 H new ATOM 0 HG3 LYS A 98 13.199 -4.583 -7.972 1.00 0.41 H new ATOM 0 HD2 LYS A 98 14.380 -7.374 -8.330 1.00 0.43 H new ATOM 0 HD3 LYS A 98 13.658 -6.784 -6.846 1.00 0.43 H new ATOM 0 HE2 LYS A 98 11.790 -7.777 -7.729 1.00 0.43 H new ATOM 0 HE3 LYS A 98 11.615 -6.210 -8.494 1.00 0.43 H new ATOM 0 HZ1 LYS A 98 11.672 -7.233 -10.437 1.00 0.94 H new ATOM 0 HZ2 LYS A 98 13.274 -7.715 -10.145 1.00 0.94 H new ATOM 0 HZ3 LYS A 98 11.988 -8.731 -9.701 1.00 0.94 H new ATOM 1677 N THR A 99 11.658 -3.222 -10.301 1.00 0.40 N ATOM 1678 CA THR A 99 10.434 -2.684 -9.754 1.00 0.44 C ATOM 1679 C THR A 99 9.503 -3.823 -9.367 1.00 0.47 C ATOM 1680 O THR A 99 9.034 -4.577 -10.223 1.00 0.58 O ATOM 1681 CB THR A 99 9.735 -1.759 -10.763 1.00 0.48 C ATOM 1682 OG1 THR A 99 10.658 -0.759 -11.215 1.00 0.50 O ATOM 1683 CG2 THR A 99 8.521 -1.096 -10.132 1.00 0.57 C ATOM 0 H THR A 99 11.530 -3.806 -11.128 1.00 0.40 H new ATOM 0 HA THR A 99 10.682 -2.096 -8.870 1.00 0.44 H new ATOM 0 HB THR A 99 9.399 -2.355 -11.611 1.00 0.48 H new ATOM 0 HG1 THR A 99 10.213 -0.170 -11.860 1.00 0.50 H new ATOM 0 HG21 THR A 99 8.041 -0.445 -10.863 1.00 0.57 H new ATOM 0 HG22 THR A 99 7.816 -1.861 -9.808 1.00 0.57 H new ATOM 0 HG23 THR A 99 8.835 -0.505 -9.272 1.00 0.57 H new ATOM 1691 N ILE A 100 9.258 -3.959 -8.078 1.00 0.42 N ATOM 1692 CA ILE A 100 8.451 -5.048 -7.562 1.00 0.44 C ATOM 1693 C ILE A 100 7.271 -4.472 -6.791 1.00 0.45 C ATOM 1694 O ILE A 100 7.371 -3.384 -6.214 1.00 0.45 O ATOM 1695 CB ILE A 100 9.299 -6.002 -6.675 1.00 0.48 C ATOM 1696 CG1 ILE A 100 8.533 -7.299 -6.355 1.00 0.61 C ATOM 1697 CG2 ILE A 100 9.753 -5.307 -5.396 1.00 0.48 C ATOM 1698 CD1 ILE A 100 7.728 -7.266 -5.070 1.00 0.50 C ATOM 0 H ILE A 100 9.610 -3.322 -7.363 1.00 0.42 H new ATOM 0 HA ILE A 100 8.074 -5.643 -8.394 1.00 0.44 H new ATOM 0 HB ILE A 100 10.189 -6.273 -7.243 1.00 0.48 H new ATOM 0 HG12 ILE A 100 7.859 -7.519 -7.183 1.00 0.61 H new ATOM 0 HG13 ILE A 100 9.247 -8.121 -6.298 1.00 0.61 H new ATOM 0 HG21 ILE A 100 10.344 -5.999 -4.796 1.00 0.48 H new ATOM 0 HG22 ILE A 100 10.360 -4.438 -5.650 1.00 0.48 H new ATOM 0 HG23 ILE A 100 8.880 -4.987 -4.827 1.00 0.48 H new ATOM 0 HD11 ILE A 100 7.225 -8.223 -4.931 1.00 0.50 H new ATOM 0 HD12 ILE A 100 8.395 -7.081 -4.228 1.00 0.50 H new ATOM 0 HD13 ILE A 100 6.985 -6.470 -5.126 1.00 0.50 H new ATOM 1710 N MET A 101 6.147 -5.169 -6.806 1.00 0.47 N ATOM 1711 CA MET A 101 4.965 -4.669 -6.133 1.00 0.50 C ATOM 1712 C MET A 101 4.929 -5.165 -4.700 1.00 0.50 C ATOM 1713 O MET A 101 4.749 -6.353 -4.430 1.00 0.52 O ATOM 1714 CB MET A 101 3.709 -5.131 -6.872 1.00 0.56 C ATOM 1715 CG MET A 101 3.654 -4.685 -8.324 1.00 0.64 C ATOM 1716 SD MET A 101 3.589 -2.893 -8.495 1.00 0.98 S ATOM 1717 CE MET A 101 2.042 -2.541 -7.664 1.00 0.59 C ATOM 0 H MET A 101 6.030 -6.070 -7.270 1.00 0.47 H new ATOM 0 HA MET A 101 4.998 -3.580 -6.130 1.00 0.50 H new ATOM 0 HB2 MET A 101 3.655 -6.219 -6.833 1.00 0.56 H new ATOM 0 HB3 MET A 101 2.831 -4.750 -6.351 1.00 0.56 H new ATOM 0 HG2 MET A 101 4.529 -5.065 -8.851 1.00 0.64 H new ATOM 0 HG3 MET A 101 2.779 -5.124 -8.802 1.00 0.64 H new ATOM 0 HE1 MET A 101 1.775 -1.496 -7.820 1.00 0.59 H new ATOM 0 HE2 MET A 101 1.258 -3.180 -8.069 1.00 0.59 H new ATOM 0 HE3 MET A 101 2.151 -2.732 -6.596 1.00 0.59 H new ATOM 1727 N VAL A 102 5.109 -4.223 -3.791 1.00 0.50 N ATOM 1728 CA VAL A 102 5.095 -4.509 -2.367 1.00 0.53 C ATOM 1729 C VAL A 102 3.997 -3.714 -1.694 1.00 0.49 C ATOM 1730 O VAL A 102 3.819 -2.529 -1.986 1.00 0.50 O ATOM 1731 CB VAL A 102 6.438 -4.163 -1.699 1.00 0.61 C ATOM 1732 CG1 VAL A 102 6.567 -4.854 -0.354 1.00 0.73 C ATOM 1733 CG2 VAL A 102 7.601 -4.519 -2.605 1.00 0.90 C ATOM 0 H VAL A 102 5.268 -3.241 -4.018 1.00 0.50 H new ATOM 0 HA VAL A 102 4.918 -5.578 -2.252 1.00 0.53 H new ATOM 0 HB VAL A 102 6.462 -3.087 -1.528 1.00 0.61 H new ATOM 0 HG11 VAL A 102 7.524 -4.594 0.098 1.00 0.73 H new ATOM 0 HG12 VAL A 102 5.757 -4.531 0.300 1.00 0.73 H new ATOM 0 HG13 VAL A 102 6.513 -5.934 -0.493 1.00 0.73 H new ATOM 0 HG21 VAL A 102 8.539 -4.265 -2.110 1.00 0.90 H new ATOM 0 HG22 VAL A 102 7.582 -5.588 -2.819 1.00 0.90 H new ATOM 0 HG23 VAL A 102 7.520 -3.961 -3.538 1.00 0.90 H new ATOM 1743 N ASP A 103 3.252 -4.378 -0.819 1.00 0.48 N ATOM 1744 CA ASP A 103 2.146 -3.754 -0.104 1.00 0.47 C ATOM 1745 C ASP A 103 2.596 -2.467 0.570 1.00 0.46 C ATOM 1746 O ASP A 103 3.642 -2.425 1.209 1.00 0.51 O ATOM 1747 CB ASP A 103 1.578 -4.710 0.947 1.00 0.51 C ATOM 1748 CG ASP A 103 1.179 -6.052 0.372 1.00 1.22 C ATOM 1749 OD1 ASP A 103 2.083 -6.813 -0.038 1.00 1.96 O ATOM 1750 OD2 ASP A 103 -0.028 -6.361 0.347 1.00 1.56 O ATOM 0 H ASP A 103 3.397 -5.360 -0.586 1.00 0.48 H new ATOM 0 HA ASP A 103 1.369 -3.519 -0.831 1.00 0.47 H new ATOM 0 HB2 ASP A 103 2.321 -4.863 1.730 1.00 0.51 H new ATOM 0 HB3 ASP A 103 0.709 -4.250 1.417 1.00 0.51 H new ATOM 1755 N ASP A 104 1.810 -1.424 0.402 1.00 0.46 N ATOM 1756 CA ASP A 104 2.071 -0.141 1.043 1.00 0.47 C ATOM 1757 C ASP A 104 1.488 -0.160 2.454 1.00 0.46 C ATOM 1758 O ASP A 104 1.741 0.719 3.278 1.00 0.54 O ATOM 1759 CB ASP A 104 1.444 0.980 0.207 1.00 0.54 C ATOM 1760 CG ASP A 104 1.647 2.364 0.795 1.00 0.66 C ATOM 1761 OD1 ASP A 104 2.760 2.915 0.661 1.00 1.08 O ATOM 1762 OD2 ASP A 104 0.681 2.919 1.365 1.00 0.64 O ATOM 0 H ASP A 104 0.973 -1.436 -0.180 1.00 0.46 H new ATOM 0 HA ASP A 104 3.144 0.037 1.111 1.00 0.47 H new ATOM 0 HB2 ASP A 104 1.869 0.955 -0.796 1.00 0.54 H new ATOM 0 HB3 ASP A 104 0.375 0.791 0.105 1.00 0.54 H new ATOM 1767 N SER A 105 0.717 -1.204 2.723 1.00 0.43 N ATOM 1768 CA SER A 105 0.032 -1.373 3.999 1.00 0.49 C ATOM 1769 C SER A 105 0.955 -1.979 5.066 1.00 0.57 C ATOM 1770 O SER A 105 0.515 -2.790 5.883 1.00 0.96 O ATOM 1771 CB SER A 105 -1.163 -2.297 3.781 1.00 0.52 C ATOM 1772 OG SER A 105 -1.731 -2.092 2.499 1.00 1.27 O ATOM 0 H SER A 105 0.548 -1.961 2.061 1.00 0.43 H new ATOM 0 HA SER A 105 -0.287 -0.394 4.357 1.00 0.49 H new ATOM 0 HB2 SER A 105 -0.848 -3.336 3.882 1.00 0.52 H new ATOM 0 HB3 SER A 105 -1.914 -2.115 4.550 1.00 0.52 H new ATOM 0 HG SER A 105 -2.134 -1.200 2.459 1.00 1.27 H new ATOM 1778 N LYS A 106 2.218 -1.570 5.077 1.00 0.45 N ATOM 1779 CA LYS A 106 3.204 -2.164 5.975 1.00 0.49 C ATOM 1780 C LYS A 106 4.266 -1.144 6.389 1.00 0.52 C ATOM 1781 O LYS A 106 4.117 0.059 6.158 1.00 0.65 O ATOM 1782 CB LYS A 106 3.888 -3.335 5.273 1.00 0.58 C ATOM 1783 CG LYS A 106 4.583 -2.914 3.991 1.00 0.69 C ATOM 1784 CD LYS A 106 5.498 -3.992 3.445 1.00 0.58 C ATOM 1785 CE LYS A 106 4.763 -4.992 2.557 1.00 1.00 C ATOM 1786 NZ LYS A 106 3.780 -5.817 3.304 1.00 2.02 N ATOM 0 H LYS A 106 2.584 -0.831 4.476 1.00 0.45 H new ATOM 0 HA LYS A 106 2.684 -2.506 6.870 1.00 0.49 H new ATOM 0 HB2 LYS A 106 4.617 -3.784 5.948 1.00 0.58 H new ATOM 0 HB3 LYS A 106 3.148 -4.102 5.047 1.00 0.58 H new ATOM 0 HG2 LYS A 106 3.833 -2.664 3.240 1.00 0.69 H new ATOM 0 HG3 LYS A 106 5.163 -2.010 4.176 1.00 0.69 H new ATOM 0 HD2 LYS A 106 6.301 -3.526 2.874 1.00 0.58 H new ATOM 0 HD3 LYS A 106 5.964 -4.523 4.275 1.00 0.58 H new ATOM 0 HE2 LYS A 106 4.247 -4.453 1.762 1.00 1.00 H new ATOM 0 HE3 LYS A 106 5.490 -5.648 2.078 1.00 1.00 H new ATOM 0 HZ1 LYS A 106 3.603 -6.701 2.785 1.00 2.02 H new ATOM 0 HZ2 LYS A 106 4.158 -6.039 4.247 1.00 2.02 H new ATOM 0 HZ3 LYS A 106 2.889 -5.290 3.404 1.00 2.02 H new ATOM 1800 N THR A 107 5.331 -1.641 7.010 1.00 0.53 N ATOM 1801 CA THR A 107 6.484 -0.821 7.347 1.00 0.57 C ATOM 1802 C THR A 107 7.678 -1.193 6.463 1.00 0.52 C ATOM 1803 O THR A 107 7.544 -1.982 5.526 1.00 0.54 O ATOM 1804 CB THR A 107 6.871 -0.978 8.830 1.00 0.69 C ATOM 1805 OG1 THR A 107 7.021 -2.364 9.154 1.00 0.76 O ATOM 1806 CG2 THR A 107 5.824 -0.347 9.735 1.00 0.74 C ATOM 0 H THR A 107 5.417 -2.618 7.291 1.00 0.53 H new ATOM 0 HA THR A 107 6.211 0.220 7.171 1.00 0.57 H new ATOM 0 HB THR A 107 7.819 -0.465 8.990 1.00 0.69 H new ATOM 0 HG1 THR A 107 7.269 -2.454 10.098 1.00 0.76 H new ATOM 0 HG21 THR A 107 6.121 -0.471 10.776 1.00 0.74 H new ATOM 0 HG22 THR A 107 5.738 0.715 9.507 1.00 0.74 H new ATOM 0 HG23 THR A 107 4.862 -0.832 9.571 1.00 0.74 H new ATOM 1814 N VAL A 108 8.846 -0.643 6.772 1.00 0.49 N ATOM 1815 CA VAL A 108 10.035 -0.828 5.944 1.00 0.47 C ATOM 1816 C VAL A 108 10.539 -2.271 5.969 1.00 0.42 C ATOM 1817 O VAL A 108 10.687 -2.903 4.927 1.00 0.44 O ATOM 1818 CB VAL A 108 11.172 0.087 6.423 1.00 0.55 C ATOM 1819 CG1 VAL A 108 12.380 -0.026 5.507 1.00 0.61 C ATOM 1820 CG2 VAL A 108 10.693 1.527 6.537 1.00 0.60 C ATOM 0 H VAL A 108 8.997 -0.061 7.596 1.00 0.49 H new ATOM 0 HA VAL A 108 9.744 -0.576 4.924 1.00 0.47 H new ATOM 0 HB VAL A 108 11.480 -0.240 7.416 1.00 0.55 H new ATOM 0 HG11 VAL A 108 13.172 0.631 5.866 1.00 0.61 H new ATOM 0 HG12 VAL A 108 12.737 -1.056 5.501 1.00 0.61 H new ATOM 0 HG13 VAL A 108 12.098 0.266 4.495 1.00 0.61 H new ATOM 0 HG21 VAL A 108 11.514 2.158 6.878 1.00 0.60 H new ATOM 0 HG22 VAL A 108 10.349 1.874 5.563 1.00 0.60 H new ATOM 0 HG23 VAL A 108 9.872 1.582 7.252 1.00 0.60 H new ATOM 1830 N THR A 109 10.831 -2.757 7.168 1.00 0.43 N ATOM 1831 CA THR A 109 11.340 -4.116 7.382 1.00 0.43 C ATOM 1832 C THR A 109 10.562 -5.167 6.586 1.00 0.44 C ATOM 1833 O THR A 109 11.157 -5.990 5.881 1.00 0.45 O ATOM 1834 CB THR A 109 11.279 -4.478 8.876 1.00 0.51 C ATOM 1835 OG1 THR A 109 11.947 -3.467 9.642 1.00 0.56 O ATOM 1836 CG2 THR A 109 11.919 -5.833 9.146 1.00 0.56 C ATOM 0 H THR A 109 10.723 -2.220 8.029 1.00 0.43 H new ATOM 0 HA THR A 109 12.372 -4.121 7.030 1.00 0.43 H new ATOM 0 HB THR A 109 10.231 -4.535 9.170 1.00 0.51 H new ATOM 0 HG1 THR A 109 11.282 -2.876 10.054 1.00 0.56 H new ATOM 0 HG21 THR A 109 11.859 -6.058 10.211 1.00 0.56 H new ATOM 0 HG22 THR A 109 11.392 -6.603 8.582 1.00 0.56 H new ATOM 0 HG23 THR A 109 12.964 -5.809 8.839 1.00 0.56 H new ATOM 1844 N ASP A 110 9.239 -5.124 6.685 1.00 0.47 N ATOM 1845 CA ASP A 110 8.388 -6.114 6.035 1.00 0.51 C ATOM 1846 C ASP A 110 8.462 -5.973 4.517 1.00 0.49 C ATOM 1847 O ASP A 110 8.423 -6.962 3.776 1.00 0.54 O ATOM 1848 CB ASP A 110 6.945 -5.955 6.519 1.00 0.57 C ATOM 1849 CG ASP A 110 6.053 -7.087 6.060 1.00 0.65 C ATOM 1850 OD1 ASP A 110 6.185 -8.206 6.589 1.00 0.76 O ATOM 1851 OD2 ASP A 110 5.217 -6.865 5.166 1.00 0.70 O ATOM 0 H ASP A 110 8.731 -4.413 7.210 1.00 0.47 H new ATOM 0 HA ASP A 110 8.742 -7.110 6.300 1.00 0.51 H new ATOM 0 HB2 ASP A 110 6.934 -5.906 7.608 1.00 0.57 H new ATOM 0 HB3 ASP A 110 6.544 -5.010 6.153 1.00 0.57 H new ATOM 1856 N MET A 111 8.590 -4.735 4.061 1.00 0.46 N ATOM 1857 CA MET A 111 8.753 -4.445 2.643 1.00 0.46 C ATOM 1858 C MET A 111 10.083 -4.982 2.132 1.00 0.40 C ATOM 1859 O MET A 111 10.134 -5.653 1.103 1.00 0.43 O ATOM 1860 CB MET A 111 8.670 -2.936 2.404 1.00 0.51 C ATOM 1861 CG MET A 111 9.177 -2.498 1.040 1.00 0.50 C ATOM 1862 SD MET A 111 9.222 -0.707 0.861 1.00 0.75 S ATOM 1863 CE MET A 111 9.963 -0.247 2.418 1.00 0.67 C ATOM 0 H MET A 111 8.584 -3.908 4.659 1.00 0.46 H new ATOM 0 HA MET A 111 7.950 -4.938 2.096 1.00 0.46 H new ATOM 0 HB2 MET A 111 7.633 -2.617 2.515 1.00 0.51 H new ATOM 0 HB3 MET A 111 9.245 -2.424 3.176 1.00 0.51 H new ATOM 0 HG2 MET A 111 10.178 -2.901 0.882 1.00 0.50 H new ATOM 0 HG3 MET A 111 8.537 -2.921 0.266 1.00 0.50 H new ATOM 0 HE1 MET A 111 10.209 0.815 2.404 1.00 0.67 H new ATOM 0 HE2 MET A 111 9.261 -0.447 3.228 1.00 0.67 H new ATOM 0 HE3 MET A 111 10.872 -0.828 2.574 1.00 0.67 H new ATOM 1873 N LEU A 112 11.152 -4.699 2.866 1.00 0.36 N ATOM 1874 CA LEU A 112 12.491 -5.115 2.467 1.00 0.34 C ATOM 1875 C LEU A 112 12.569 -6.635 2.380 1.00 0.37 C ATOM 1876 O LEU A 112 13.191 -7.185 1.477 1.00 0.42 O ATOM 1877 CB LEU A 112 13.531 -4.596 3.462 1.00 0.35 C ATOM 1878 CG LEU A 112 14.914 -4.325 2.867 1.00 0.38 C ATOM 1879 CD1 LEU A 112 14.851 -3.138 1.923 1.00 0.39 C ATOM 1880 CD2 LEU A 112 15.926 -4.064 3.965 1.00 0.46 C ATOM 0 H LEU A 112 11.117 -4.181 3.744 1.00 0.36 H new ATOM 0 HA LEU A 112 12.704 -4.693 1.485 1.00 0.34 H new ATOM 0 HB2 LEU A 112 13.157 -3.675 3.908 1.00 0.35 H new ATOM 0 HB3 LEU A 112 13.635 -5.322 4.268 1.00 0.35 H new ATOM 0 HG LEU A 112 15.229 -5.207 2.309 1.00 0.38 H new ATOM 0 HD11 LEU A 112 15.840 -2.953 1.505 1.00 0.39 H new ATOM 0 HD12 LEU A 112 14.150 -3.352 1.116 1.00 0.39 H new ATOM 0 HD13 LEU A 112 14.517 -2.256 2.469 1.00 0.39 H new ATOM 0 HD21 LEU A 112 16.903 -3.873 3.521 1.00 0.46 H new ATOM 0 HD22 LEU A 112 15.616 -3.196 4.547 1.00 0.46 H new ATOM 0 HD23 LEU A 112 15.987 -4.935 4.618 1.00 0.46 H new ATOM 1892 N MET A 113 11.905 -7.303 3.319 1.00 0.39 N ATOM 1893 CA MET A 113 11.845 -8.763 3.340 1.00 0.46 C ATOM 1894 C MET A 113 11.219 -9.283 2.054 1.00 0.49 C ATOM 1895 O MET A 113 11.623 -10.310 1.509 1.00 0.56 O ATOM 1896 CB MET A 113 11.024 -9.227 4.545 1.00 0.55 C ATOM 1897 CG MET A 113 11.033 -10.732 4.762 1.00 0.61 C ATOM 1898 SD MET A 113 10.243 -11.207 6.312 1.00 0.98 S ATOM 1899 CE MET A 113 8.574 -10.613 6.045 1.00 1.34 C ATOM 0 H MET A 113 11.397 -6.853 4.081 1.00 0.39 H new ATOM 0 HA MET A 113 12.858 -9.158 3.420 1.00 0.46 H new ATOM 0 HB2 MET A 113 11.407 -8.740 5.441 1.00 0.55 H new ATOM 0 HB3 MET A 113 9.993 -8.895 4.418 1.00 0.55 H new ATOM 0 HG2 MET A 113 10.521 -11.219 3.932 1.00 0.61 H new ATOM 0 HG3 MET A 113 12.062 -11.091 4.757 1.00 0.61 H new ATOM 0 HE1 MET A 113 7.904 -11.072 6.772 1.00 1.34 H new ATOM 0 HE2 MET A 113 8.550 -9.530 6.163 1.00 1.34 H new ATOM 0 HE3 MET A 113 8.251 -10.876 5.038 1.00 1.34 H new ATOM 1909 N THR A 114 10.235 -8.544 1.580 1.00 0.47 N ATOM 1910 CA THR A 114 9.536 -8.873 0.355 1.00 0.50 C ATOM 1911 C THR A 114 10.410 -8.599 -0.874 1.00 0.46 C ATOM 1912 O THR A 114 10.403 -9.370 -1.831 1.00 0.49 O ATOM 1913 CB THR A 114 8.227 -8.068 0.268 1.00 0.54 C ATOM 1914 OG1 THR A 114 7.364 -8.431 1.358 1.00 0.62 O ATOM 1915 CG2 THR A 114 7.514 -8.293 -1.061 1.00 0.60 C ATOM 0 H THR A 114 9.897 -7.696 2.036 1.00 0.47 H new ATOM 0 HA THR A 114 9.304 -9.938 0.369 1.00 0.50 H new ATOM 0 HB THR A 114 8.477 -7.009 0.333 1.00 0.54 H new ATOM 0 HG1 THR A 114 7.654 -7.969 2.172 1.00 0.62 H new ATOM 0 HG21 THR A 114 6.595 -7.708 -1.084 1.00 0.60 H new ATOM 0 HG22 THR A 114 8.163 -7.982 -1.879 1.00 0.60 H new ATOM 0 HG23 THR A 114 7.274 -9.351 -1.171 1.00 0.60 H new ATOM 1923 N ILE A 115 11.190 -7.523 -0.826 1.00 0.43 N ATOM 1924 CA ILE A 115 12.004 -7.116 -1.967 1.00 0.41 C ATOM 1925 C ILE A 115 13.226 -8.018 -2.119 1.00 0.42 C ATOM 1926 O ILE A 115 13.539 -8.473 -3.219 1.00 0.43 O ATOM 1927 CB ILE A 115 12.473 -5.650 -1.828 1.00 0.40 C ATOM 1928 CG1 ILE A 115 11.269 -4.713 -1.712 1.00 0.42 C ATOM 1929 CG2 ILE A 115 13.343 -5.253 -3.014 1.00 0.42 C ATOM 1930 CD1 ILE A 115 11.643 -3.269 -1.451 1.00 0.44 C ATOM 0 H ILE A 115 11.276 -6.917 -0.010 1.00 0.43 H new ATOM 0 HA ILE A 115 11.377 -7.206 -2.854 1.00 0.41 H new ATOM 0 HB ILE A 115 13.068 -5.563 -0.919 1.00 0.40 H new ATOM 0 HG12 ILE A 115 10.688 -4.768 -2.632 1.00 0.42 H new ATOM 0 HG13 ILE A 115 10.624 -5.063 -0.906 1.00 0.42 H new ATOM 0 HG21 ILE A 115 13.664 -4.218 -2.899 1.00 0.42 H new ATOM 0 HG22 ILE A 115 14.218 -5.902 -3.057 1.00 0.42 H new ATOM 0 HG23 ILE A 115 12.770 -5.355 -3.936 1.00 0.42 H new ATOM 0 HD11 ILE A 115 10.738 -2.666 -1.381 1.00 0.44 H new ATOM 0 HD12 ILE A 115 12.198 -3.200 -0.515 1.00 0.44 H new ATOM 0 HD13 ILE A 115 12.263 -2.900 -2.268 1.00 0.44 H new ATOM 1942 N CYS A 116 13.900 -8.286 -1.007 1.00 0.43 N ATOM 1943 CA CYS A 116 15.103 -9.109 -1.018 1.00 0.47 C ATOM 1944 C CYS A 116 14.803 -10.510 -1.548 1.00 0.50 C ATOM 1945 O CYS A 116 15.619 -11.103 -2.260 1.00 0.53 O ATOM 1946 CB CYS A 116 15.703 -9.185 0.388 1.00 0.51 C ATOM 1947 SG CYS A 116 16.289 -7.596 1.021 1.00 1.56 S ATOM 0 H CYS A 116 13.633 -7.944 -0.084 1.00 0.43 H new ATOM 0 HA CYS A 116 15.829 -8.645 -1.686 1.00 0.47 H new ATOM 0 HB2 CYS A 116 14.953 -9.583 1.071 1.00 0.51 H new ATOM 0 HB3 CYS A 116 16.534 -9.891 0.380 1.00 0.51 H new ATOM 0 HG CYS A 116 15.806 -7.398 2.212 1.00 1.56 H new ATOM 1953 N ALA A 117 13.614 -11.012 -1.236 1.00 0.50 N ATOM 1954 CA ALA A 117 13.202 -12.339 -1.677 1.00 0.54 C ATOM 1955 C ALA A 117 13.065 -12.399 -3.196 1.00 0.54 C ATOM 1956 O ALA A 117 13.218 -13.461 -3.797 1.00 0.58 O ATOM 1957 CB ALA A 117 11.891 -12.730 -1.010 1.00 0.57 C ATOM 0 H ALA A 117 12.917 -10.519 -0.678 1.00 0.50 H new ATOM 0 HA ALA A 117 13.975 -13.049 -1.383 1.00 0.54 H new ATOM 0 HB1 ALA A 117 11.593 -13.723 -1.347 1.00 0.57 H new ATOM 0 HB2 ALA A 117 12.022 -12.738 0.072 1.00 0.57 H new ATOM 0 HB3 ALA A 117 11.118 -12.009 -1.277 1.00 0.57 H new ATOM 1963 N ARG A 118 12.801 -11.248 -3.810 1.00 0.50 N ATOM 1964 CA ARG A 118 12.615 -11.170 -5.257 1.00 0.51 C ATOM 1965 C ARG A 118 13.914 -11.480 -5.976 1.00 0.52 C ATOM 1966 O ARG A 118 13.934 -12.173 -6.992 1.00 0.55 O ATOM 1967 CB ARG A 118 12.141 -9.771 -5.669 1.00 0.49 C ATOM 1968 CG ARG A 118 10.909 -9.304 -4.911 1.00 0.49 C ATOM 1969 CD ARG A 118 9.780 -10.322 -4.966 1.00 0.58 C ATOM 1970 NE ARG A 118 9.272 -10.531 -6.323 1.00 0.84 N ATOM 1971 CZ ARG A 118 8.089 -11.087 -6.591 1.00 1.16 C ATOM 1972 NH1 ARG A 118 7.306 -11.507 -5.602 1.00 1.23 N ATOM 1973 NH2 ARG A 118 7.692 -11.221 -7.850 1.00 1.75 N ATOM 0 H ARG A 118 12.711 -10.354 -3.327 1.00 0.50 H new ATOM 0 HA ARG A 118 11.858 -11.904 -5.535 1.00 0.51 H new ATOM 0 HB2 ARG A 118 12.950 -9.059 -5.507 1.00 0.49 H new ATOM 0 HB3 ARG A 118 11.924 -9.769 -6.737 1.00 0.49 H new ATOM 0 HG2 ARG A 118 11.175 -9.114 -3.871 1.00 0.49 H new ATOM 0 HG3 ARG A 118 10.564 -8.358 -5.329 1.00 0.49 H new ATOM 0 HD2 ARG A 118 10.133 -11.272 -4.565 1.00 0.58 H new ATOM 0 HD3 ARG A 118 8.964 -9.988 -4.325 1.00 0.58 H new ATOM 0 HE ARG A 118 9.854 -10.235 -7.107 1.00 0.84 H new ATOM 0 HH11 ARG A 118 7.609 -11.405 -4.633 1.00 1.23 H new ATOM 0 HH12 ARG A 118 6.403 -11.931 -5.812 1.00 1.23 H new ATOM 0 HH21 ARG A 118 8.291 -10.899 -8.611 1.00 1.75 H new ATOM 0 HH22 ARG A 118 6.788 -11.646 -8.057 1.00 1.75 H new ATOM 1987 N ILE A 119 14.992 -10.954 -5.432 1.00 0.52 N ATOM 1988 CA ILE A 119 16.310 -11.066 -6.030 1.00 0.54 C ATOM 1989 C ILE A 119 16.965 -12.365 -5.618 1.00 0.58 C ATOM 1990 O ILE A 119 17.758 -12.950 -6.360 1.00 0.66 O ATOM 1991 CB ILE A 119 17.164 -9.881 -5.560 1.00 0.51 C ATOM 1992 CG1 ILE A 119 16.270 -8.652 -5.550 1.00 0.49 C ATOM 1993 CG2 ILE A 119 18.372 -9.682 -6.466 1.00 0.56 C ATOM 1994 CD1 ILE A 119 16.506 -7.706 -4.404 1.00 0.69 C ATOM 0 H ILE A 119 14.980 -10.432 -4.556 1.00 0.52 H new ATOM 0 HA ILE A 119 16.220 -11.055 -7.116 1.00 0.54 H new ATOM 0 HB ILE A 119 17.557 -10.068 -4.561 1.00 0.51 H new ATOM 0 HG12 ILE A 119 16.412 -8.110 -6.485 1.00 0.49 H new ATOM 0 HG13 ILE A 119 15.230 -8.977 -5.525 1.00 0.49 H new ATOM 0 HG21 ILE A 119 18.959 -8.836 -6.109 1.00 0.56 H new ATOM 0 HG22 ILE A 119 18.988 -10.581 -6.454 1.00 0.56 H new ATOM 0 HG23 ILE A 119 18.035 -9.486 -7.484 1.00 0.56 H new ATOM 0 HD11 ILE A 119 15.822 -6.861 -4.483 1.00 0.69 H new ATOM 0 HD12 ILE A 119 16.334 -8.226 -3.462 1.00 0.69 H new ATOM 0 HD13 ILE A 119 17.534 -7.345 -4.436 1.00 0.69 H new ATOM 2006 N GLY A 120 16.612 -12.818 -4.430 1.00 0.57 N ATOM 2007 CA GLY A 120 17.192 -14.024 -3.904 1.00 0.62 C ATOM 2008 C GLY A 120 18.159 -13.735 -2.779 1.00 0.64 C ATOM 2009 O GLY A 120 19.008 -14.560 -2.441 1.00 0.70 O ATOM 0 H GLY A 120 15.930 -12.368 -3.819 1.00 0.57 H new ATOM 0 HA2 GLY A 120 16.401 -14.681 -3.544 1.00 0.62 H new ATOM 0 HA3 GLY A 120 17.710 -14.556 -4.702 1.00 0.62 H new ATOM 2013 N ILE A 121 18.027 -12.551 -2.202 1.00 0.66 N ATOM 2014 CA ILE A 121 18.871 -12.141 -1.094 1.00 0.71 C ATOM 2015 C ILE A 121 18.303 -12.691 0.210 1.00 0.82 C ATOM 2016 O ILE A 121 17.279 -12.212 0.701 1.00 1.54 O ATOM 2017 CB ILE A 121 18.982 -10.602 -1.009 1.00 0.63 C ATOM 2018 CG1 ILE A 121 19.508 -10.023 -2.329 1.00 0.59 C ATOM 2019 CG2 ILE A 121 19.888 -10.206 0.146 1.00 0.67 C ATOM 2020 CD1 ILE A 121 19.474 -8.507 -2.392 1.00 0.56 C ATOM 0 H ILE A 121 17.338 -11.854 -2.486 1.00 0.66 H new ATOM 0 HA ILE A 121 19.871 -12.541 -1.261 1.00 0.71 H new ATOM 0 HB ILE A 121 17.988 -10.191 -0.831 1.00 0.63 H new ATOM 0 HG12 ILE A 121 20.534 -10.360 -2.479 1.00 0.59 H new ATOM 0 HG13 ILE A 121 18.917 -10.424 -3.152 1.00 0.59 H new ATOM 0 HG21 ILE A 121 19.959 -9.120 0.197 1.00 0.67 H new ATOM 0 HG22 ILE A 121 19.474 -10.586 1.080 1.00 0.67 H new ATOM 0 HG23 ILE A 121 20.881 -10.628 -0.009 1.00 0.67 H new ATOM 0 HD11 ILE A 121 19.861 -8.174 -3.355 1.00 0.56 H new ATOM 0 HD12 ILE A 121 18.447 -8.161 -2.275 1.00 0.56 H new ATOM 0 HD13 ILE A 121 20.089 -8.096 -1.592 1.00 0.56 H new ATOM 2032 N THR A 122 18.955 -13.718 0.742 1.00 0.96 N ATOM 2033 CA THR A 122 18.499 -14.390 1.951 1.00 1.00 C ATOM 2034 C THR A 122 18.444 -13.433 3.142 1.00 0.90 C ATOM 2035 O THR A 122 17.422 -13.331 3.824 1.00 1.04 O ATOM 2036 CB THR A 122 19.426 -15.571 2.289 1.00 1.18 C ATOM 2037 OG1 THR A 122 19.680 -16.336 1.104 1.00 1.55 O ATOM 2038 CG2 THR A 122 18.805 -16.466 3.350 1.00 1.65 C ATOM 0 H THR A 122 19.812 -14.107 0.348 1.00 0.96 H new ATOM 0 HA THR A 122 17.491 -14.757 1.758 1.00 1.00 H new ATOM 0 HB THR A 122 20.362 -15.172 2.681 1.00 1.18 H new ATOM 0 HG1 THR A 122 20.272 -17.087 1.320 1.00 1.55 H new ATOM 0 HG21 THR A 122 19.481 -17.292 3.570 1.00 1.65 H new ATOM 0 HG22 THR A 122 18.631 -15.888 4.258 1.00 1.65 H new ATOM 0 HG23 THR A 122 17.857 -16.860 2.984 1.00 1.65 H new ATOM 2046 N ASN A 123 19.548 -12.740 3.386 1.00 0.91 N ATOM 2047 CA ASN A 123 19.626 -11.773 4.474 1.00 0.87 C ATOM 2048 C ASN A 123 18.907 -10.485 4.079 1.00 0.77 C ATOM 2049 O ASN A 123 19.390 -9.715 3.257 1.00 1.05 O ATOM 2050 CB ASN A 123 21.092 -11.502 4.840 1.00 1.10 C ATOM 2051 CG ASN A 123 21.950 -11.139 3.638 1.00 1.31 C ATOM 2052 OD1 ASN A 123 22.430 -12.016 2.915 1.00 2.13 O ATOM 2053 ND2 ASN A 123 22.175 -9.851 3.432 1.00 1.50 N ATOM 0 H ASN A 123 20.406 -12.830 2.842 1.00 0.91 H new ATOM 0 HA ASN A 123 19.131 -12.183 5.355 1.00 0.87 H new ATOM 0 HB2 ASN A 123 21.135 -10.691 5.567 1.00 1.10 H new ATOM 0 HB3 ASN A 123 21.509 -12.386 5.323 1.00 1.10 H new ATOM 0 HD21 ASN A 123 22.763 -9.554 2.653 1.00 1.50 H new ATOM 0 HD22 ASN A 123 21.760 -9.155 4.052 1.00 1.50 H new ATOM 2060 N HIS A 124 17.741 -10.255 4.659 1.00 0.61 N ATOM 2061 CA HIS A 124 16.881 -9.179 4.184 1.00 0.59 C ATOM 2062 C HIS A 124 17.061 -7.886 4.976 1.00 0.57 C ATOM 2063 O HIS A 124 17.119 -6.812 4.393 1.00 0.66 O ATOM 2064 CB HIS A 124 15.402 -9.606 4.194 1.00 0.63 C ATOM 2065 CG HIS A 124 14.767 -9.664 5.554 1.00 0.58 C ATOM 2066 ND1 HIS A 124 13.896 -8.698 6.015 1.00 0.55 N ATOM 2067 CD2 HIS A 124 14.860 -10.582 6.541 1.00 0.66 C ATOM 2068 CE1 HIS A 124 13.481 -9.024 7.225 1.00 0.57 C ATOM 2069 NE2 HIS A 124 14.051 -10.162 7.565 1.00 0.66 N ATOM 0 H HIS A 124 17.371 -10.787 5.446 1.00 0.61 H new ATOM 0 HA HIS A 124 17.186 -8.975 3.157 1.00 0.59 H new ATOM 0 HB2 HIS A 124 14.835 -8.912 3.574 1.00 0.63 H new ATOM 0 HB3 HIS A 124 15.320 -10.588 3.729 1.00 0.63 H new ATOM 0 HD2 HIS A 124 15.460 -11.480 6.526 1.00 0.66 H new ATOM 0 HE1 HIS A 124 12.792 -8.455 7.832 1.00 0.57 H new ATOM 0 HE2 HIS A 124 13.913 -10.652 8.449 1.00 0.66 H new ATOM 2078 N ASP A 125 17.177 -7.983 6.292 1.00 0.62 N ATOM 2079 CA ASP A 125 17.103 -6.797 7.135 1.00 0.72 C ATOM 2080 C ASP A 125 18.495 -6.315 7.508 1.00 0.64 C ATOM 2081 O ASP A 125 18.660 -5.450 8.369 1.00 0.66 O ATOM 2082 CB ASP A 125 16.282 -7.092 8.392 1.00 0.97 C ATOM 2083 CG ASP A 125 15.743 -5.833 9.045 1.00 1.54 C ATOM 2084 OD1 ASP A 125 14.923 -5.137 8.413 1.00 2.14 O ATOM 2085 OD2 ASP A 125 16.130 -5.537 10.198 1.00 2.11 O ATOM 0 H ASP A 125 17.321 -8.858 6.795 1.00 0.62 H new ATOM 0 HA ASP A 125 16.608 -6.004 6.574 1.00 0.72 H new ATOM 0 HB2 ASP A 125 15.450 -7.747 8.133 1.00 0.97 H new ATOM 0 HB3 ASP A 125 16.902 -7.632 9.108 1.00 0.97 H new ATOM 2090 N GLU A 126 19.499 -6.871 6.845 1.00 0.62 N ATOM 2091 CA GLU A 126 20.872 -6.433 7.046 1.00 0.62 C ATOM 2092 C GLU A 126 21.142 -5.221 6.169 1.00 0.52 C ATOM 2093 O GLU A 126 22.249 -4.676 6.139 1.00 0.61 O ATOM 2094 CB GLU A 126 21.860 -7.558 6.729 1.00 0.76 C ATOM 2095 CG GLU A 126 21.470 -8.896 7.336 1.00 1.19 C ATOM 2096 CD GLU A 126 21.248 -8.817 8.832 1.00 1.84 C ATOM 2097 OE1 GLU A 126 22.243 -8.749 9.585 1.00 2.27 O ATOM 2098 OE2 GLU A 126 20.078 -8.828 9.262 1.00 2.30 O ATOM 0 H GLU A 126 19.389 -7.624 6.166 1.00 0.62 H new ATOM 0 HA GLU A 126 21.009 -6.162 8.093 1.00 0.62 H new ATOM 0 HB2 GLU A 126 21.939 -7.668 5.647 1.00 0.76 H new ATOM 0 HB3 GLU A 126 22.848 -7.277 7.094 1.00 0.76 H new ATOM 0 HG2 GLU A 126 20.560 -9.256 6.856 1.00 1.19 H new ATOM 0 HG3 GLU A 126 22.251 -9.627 7.127 1.00 1.19 H new ATOM 2105 N TYR A 127 20.106 -4.812 5.454 1.00 0.43 N ATOM 2106 CA TYR A 127 20.163 -3.642 4.605 1.00 0.38 C ATOM 2107 C TYR A 127 19.263 -2.562 5.156 1.00 0.39 C ATOM 2108 O TYR A 127 18.283 -2.847 5.840 1.00 0.42 O ATOM 2109 CB TYR A 127 19.711 -3.979 3.184 1.00 0.36 C ATOM 2110 CG TYR A 127 20.506 -5.081 2.551 1.00 0.36 C ATOM 2111 CD1 TYR A 127 21.780 -4.846 2.070 1.00 0.38 C ATOM 2112 CD2 TYR A 127 19.987 -6.359 2.445 1.00 0.40 C ATOM 2113 CE1 TYR A 127 22.520 -5.853 1.497 1.00 0.41 C ATOM 2114 CE2 TYR A 127 20.718 -7.374 1.878 1.00 0.43 C ATOM 2115 CZ TYR A 127 21.987 -7.120 1.402 1.00 0.43 C ATOM 2116 OH TYR A 127 22.728 -8.137 0.844 1.00 0.49 O ATOM 0 H TYR A 127 19.203 -5.285 5.449 1.00 0.43 H new ATOM 0 HA TYR A 127 21.196 -3.294 4.580 1.00 0.38 H new ATOM 0 HB2 TYR A 127 18.659 -4.265 3.204 1.00 0.36 H new ATOM 0 HB3 TYR A 127 19.787 -3.085 2.565 1.00 0.36 H new ATOM 0 HD1 TYR A 127 22.201 -3.854 2.146 1.00 0.38 H new ATOM 0 HD2 TYR A 127 18.992 -6.561 2.814 1.00 0.40 H new ATOM 0 HE1 TYR A 127 23.513 -5.652 1.124 1.00 0.41 H new ATOM 0 HE2 TYR A 127 20.301 -8.367 1.805 1.00 0.43 H new ATOM 0 HH TYR A 127 23.681 -7.973 1.003 1.00 0.49 H new ATOM 2126 N SER A 128 19.595 -1.333 4.853 1.00 0.40 N ATOM 2127 CA SER A 128 18.751 -0.210 5.173 1.00 0.42 C ATOM 2128 C SER A 128 18.179 0.314 3.874 1.00 0.41 C ATOM 2129 O SER A 128 18.706 0.004 2.803 1.00 0.54 O ATOM 2130 CB SER A 128 19.558 0.870 5.894 1.00 0.47 C ATOM 2131 OG SER A 128 20.749 1.174 5.185 1.00 1.13 O ATOM 0 H SER A 128 20.461 -1.082 4.376 1.00 0.40 H new ATOM 0 HA SER A 128 17.944 -0.510 5.841 1.00 0.42 H new ATOM 0 HB2 SER A 128 18.954 1.771 6.000 1.00 0.47 H new ATOM 0 HB3 SER A 128 19.806 0.533 6.900 1.00 0.47 H new ATOM 0 HG SER A 128 20.803 2.141 5.035 1.00 1.13 H new ATOM 2137 N LEU A 129 17.111 1.082 3.928 1.00 0.42 N ATOM 2138 CA LEU A 129 16.539 1.570 2.689 1.00 0.42 C ATOM 2139 C LEU A 129 16.816 3.054 2.568 1.00 0.43 C ATOM 2140 O LEU A 129 16.847 3.758 3.562 1.00 0.48 O ATOM 2141 CB LEU A 129 15.039 1.260 2.622 1.00 0.43 C ATOM 2142 CG LEU A 129 14.465 1.103 1.207 1.00 0.45 C ATOM 2143 CD1 LEU A 129 13.178 0.301 1.243 1.00 1.33 C ATOM 2144 CD2 LEU A 129 14.212 2.458 0.564 1.00 1.13 C ATOM 0 H LEU A 129 16.635 1.374 4.782 1.00 0.42 H new ATOM 0 HA LEU A 129 17.002 1.060 1.844 1.00 0.42 H new ATOM 0 HB2 LEU A 129 14.849 0.341 3.177 1.00 0.43 H new ATOM 0 HB3 LEU A 129 14.497 2.057 3.130 1.00 0.43 H new ATOM 0 HG LEU A 129 15.201 0.569 0.606 1.00 0.45 H new ATOM 0 HD11 LEU A 129 12.784 0.199 0.232 1.00 1.33 H new ATOM 0 HD12 LEU A 129 13.377 -0.688 1.656 1.00 1.33 H new ATOM 0 HD13 LEU A 129 12.447 0.815 1.867 1.00 1.33 H new ATOM 0 HD21 LEU A 129 13.806 2.315 -0.437 1.00 1.13 H new ATOM 0 HD22 LEU A 129 13.500 3.020 1.168 1.00 1.13 H new ATOM 0 HD23 LEU A 129 15.149 3.011 0.500 1.00 1.13 H new ATOM 2156 N VAL A 130 17.059 3.514 1.363 1.00 0.42 N ATOM 2157 CA VAL A 130 17.329 4.919 1.127 1.00 0.46 C ATOM 2158 C VAL A 130 16.590 5.377 -0.125 1.00 0.46 C ATOM 2159 O VAL A 130 16.827 4.881 -1.224 1.00 0.45 O ATOM 2160 CB VAL A 130 18.855 5.180 1.023 1.00 0.48 C ATOM 2161 CG1 VAL A 130 19.499 4.233 0.044 1.00 0.49 C ATOM 2162 CG2 VAL A 130 19.164 6.610 0.628 1.00 0.60 C ATOM 0 H VAL A 130 17.076 2.934 0.524 1.00 0.42 H new ATOM 0 HA VAL A 130 16.965 5.502 1.973 1.00 0.46 H new ATOM 0 HB VAL A 130 19.270 5.007 2.016 1.00 0.48 H new ATOM 0 HG11 VAL A 130 20.568 4.437 -0.010 1.00 0.49 H new ATOM 0 HG12 VAL A 130 19.342 3.206 0.374 1.00 0.49 H new ATOM 0 HG13 VAL A 130 19.053 4.370 -0.941 1.00 0.49 H new ATOM 0 HG21 VAL A 130 20.244 6.746 0.568 1.00 0.60 H new ATOM 0 HG22 VAL A 130 18.717 6.824 -0.343 1.00 0.60 H new ATOM 0 HG23 VAL A 130 18.754 7.290 1.374 1.00 0.60 H new ATOM 2172 N ARG A 131 15.663 6.299 0.053 1.00 0.48 N ATOM 2173 CA ARG A 131 14.858 6.783 -1.051 1.00 0.50 C ATOM 2174 C ARG A 131 15.467 8.048 -1.622 1.00 0.57 C ATOM 2175 O ARG A 131 15.312 9.137 -1.055 1.00 0.64 O ATOM 2176 CB ARG A 131 13.448 7.121 -0.569 1.00 0.54 C ATOM 2177 CG ARG A 131 12.698 5.989 0.095 1.00 0.51 C ATOM 2178 CD ARG A 131 11.514 6.543 0.868 1.00 0.62 C ATOM 2179 NE ARG A 131 10.751 7.524 0.086 1.00 0.96 N ATOM 2180 CZ ARG A 131 10.113 8.567 0.622 1.00 1.65 C ATOM 2181 NH1 ARG A 131 10.158 8.776 1.930 1.00 2.18 N ATOM 2182 NH2 ARG A 131 9.446 9.411 -0.149 1.00 2.01 N ATOM 0 H ARG A 131 15.449 6.728 0.953 1.00 0.48 H new ATOM 0 HA ARG A 131 14.821 6.001 -1.810 1.00 0.50 H new ATOM 0 HB2 ARG A 131 13.513 7.952 0.133 1.00 0.54 H new ATOM 0 HB3 ARG A 131 12.865 7.469 -1.422 1.00 0.54 H new ATOM 0 HG2 ARG A 131 12.354 5.278 -0.656 1.00 0.51 H new ATOM 0 HG3 ARG A 131 13.362 5.446 0.768 1.00 0.51 H new ATOM 0 HD2 ARG A 131 10.857 5.723 1.160 1.00 0.62 H new ATOM 0 HD3 ARG A 131 11.869 7.010 1.787 1.00 0.62 H new ATOM 0 HE ARG A 131 10.706 7.401 -0.926 1.00 0.96 H new ATOM 0 HH11 ARG A 131 10.681 8.139 2.531 1.00 2.18 H new ATOM 0 HH12 ARG A 131 9.669 9.574 2.336 1.00 2.18 H new ATOM 0 HH21 ARG A 131 9.418 9.266 -1.158 1.00 2.01 H new ATOM 0 HH22 ARG A 131 8.960 10.206 0.266 1.00 2.01 H new ATOM 2196 N GLU A 132 16.136 7.915 -2.747 1.00 0.58 N ATOM 2197 CA GLU A 132 16.672 9.073 -3.427 1.00 0.66 C ATOM 2198 C GLU A 132 15.602 9.696 -4.297 1.00 0.73 C ATOM 2199 O GLU A 132 15.105 9.067 -5.246 1.00 0.74 O ATOM 2200 CB GLU A 132 17.897 8.722 -4.275 1.00 0.68 C ATOM 2201 CG GLU A 132 19.124 8.337 -3.466 1.00 0.64 C ATOM 2202 CD GLU A 132 20.415 8.593 -4.220 1.00 0.72 C ATOM 2203 OE1 GLU A 132 20.788 7.773 -5.081 1.00 0.90 O ATOM 2204 OE2 GLU A 132 21.067 9.628 -3.958 1.00 1.05 O ATOM 0 H GLU A 132 16.321 7.023 -3.207 1.00 0.58 H new ATOM 0 HA GLU A 132 16.992 9.786 -2.667 1.00 0.66 H new ATOM 0 HB2 GLU A 132 17.641 7.897 -4.940 1.00 0.68 H new ATOM 0 HB3 GLU A 132 18.145 9.575 -4.906 1.00 0.68 H new ATOM 0 HG2 GLU A 132 19.133 8.901 -2.533 1.00 0.64 H new ATOM 0 HG3 GLU A 132 19.064 7.282 -3.200 1.00 0.64 H new ATOM 2211 N LEU A 133 15.221 10.924 -3.976 1.00 0.80 N ATOM 2212 CA LEU A 133 14.170 11.571 -4.724 1.00 0.87 C ATOM 2213 C LEU A 133 14.628 12.904 -5.280 1.00 0.97 C ATOM 2214 O LEU A 133 15.709 13.403 -4.963 1.00 1.02 O ATOM 2215 CB LEU A 133 12.931 11.820 -3.865 1.00 0.92 C ATOM 2216 CG LEU A 133 12.724 10.882 -2.673 1.00 0.87 C ATOM 2217 CD1 LEU A 133 11.569 11.380 -1.831 1.00 0.97 C ATOM 2218 CD2 LEU A 133 12.453 9.459 -3.130 1.00 0.80 C ATOM 0 H LEU A 133 15.619 11.478 -3.217 1.00 0.80 H new ATOM 0 HA LEU A 133 13.919 10.892 -5.539 1.00 0.87 H new ATOM 0 HB2 LEU A 133 12.976 12.843 -3.490 1.00 0.92 H new ATOM 0 HB3 LEU A 133 12.053 11.754 -4.507 1.00 0.92 H new ATOM 0 HG LEU A 133 13.638 10.876 -2.080 1.00 0.87 H new ATOM 0 HD11 LEU A 133 11.422 10.712 -0.983 1.00 0.97 H new ATOM 0 HD12 LEU A 133 11.790 12.384 -1.468 1.00 0.97 H new ATOM 0 HD13 LEU A 133 10.662 11.404 -2.435 1.00 0.97 H new ATOM 0 HD21 LEU A 133 12.311 8.818 -2.260 1.00 0.80 H new ATOM 0 HD22 LEU A 133 11.554 9.440 -3.746 1.00 0.80 H new ATOM 0 HD23 LEU A 133 13.300 9.096 -3.713 1.00 0.80 H new ATOM 2230 N MET A 134 13.762 13.464 -6.094 1.00 1.04 N ATOM 2231 CA MET A 134 13.914 14.806 -6.636 1.00 1.15 C ATOM 2232 C MET A 134 12.983 15.744 -5.882 1.00 1.22 C ATOM 2233 O MET A 134 12.688 16.855 -6.325 1.00 1.29 O ATOM 2234 CB MET A 134 13.546 14.798 -8.116 1.00 1.27 C ATOM 2235 CG MET A 134 12.328 13.939 -8.397 1.00 1.36 C ATOM 2236 SD MET A 134 11.154 14.706 -9.533 1.00 1.80 S ATOM 2237 CE MET A 134 10.490 15.999 -8.484 1.00 2.03 C ATOM 0 H MET A 134 12.913 12.994 -6.408 1.00 1.04 H new ATOM 0 HA MET A 134 14.945 15.141 -6.526 1.00 1.15 H new ATOM 0 HB2 MET A 134 13.353 15.819 -8.447 1.00 1.27 H new ATOM 0 HB3 MET A 134 14.391 14.429 -8.697 1.00 1.27 H new ATOM 0 HG2 MET A 134 12.654 12.985 -8.812 1.00 1.36 H new ATOM 0 HG3 MET A 134 11.822 13.721 -7.457 1.00 1.36 H new ATOM 0 HE1 MET A 134 9.548 16.357 -8.900 1.00 2.03 H new ATOM 0 HE2 MET A 134 10.318 15.603 -7.483 1.00 2.03 H new ATOM 0 HE3 MET A 134 11.200 16.824 -8.430 1.00 2.03 H new ATOM 2247 N GLU A 135 12.528 15.254 -4.736 1.00 1.27 N ATOM 2248 CA GLU A 135 11.515 15.910 -3.924 1.00 1.39 C ATOM 2249 C GLU A 135 11.821 17.380 -3.658 1.00 1.41 C ATOM 2250 O GLU A 135 12.873 17.725 -3.121 1.00 1.45 O ATOM 2251 CB GLU A 135 11.374 15.169 -2.601 1.00 1.48 C ATOM 2252 CG GLU A 135 10.030 14.508 -2.422 1.00 1.58 C ATOM 2253 CD GLU A 135 8.916 15.525 -2.492 1.00 1.83 C ATOM 2254 OE1 GLU A 135 8.967 16.496 -1.710 1.00 2.04 O ATOM 2255 OE2 GLU A 135 8.016 15.379 -3.337 1.00 2.29 O ATOM 0 H GLU A 135 12.859 14.375 -4.339 1.00 1.27 H new ATOM 0 HA GLU A 135 10.582 15.879 -4.486 1.00 1.39 H new ATOM 0 HB2 GLU A 135 12.155 14.411 -2.533 1.00 1.48 H new ATOM 0 HB3 GLU A 135 11.538 15.869 -1.782 1.00 1.48 H new ATOM 0 HG2 GLU A 135 9.886 13.752 -3.194 1.00 1.58 H new ATOM 0 HG3 GLU A 135 9.998 13.993 -1.462 1.00 1.58 H new ATOM 2262 N GLU A 136 10.869 18.227 -4.026 1.00 1.46 N ATOM 2263 CA GLU A 136 10.977 19.664 -3.821 1.00 1.52 C ATOM 2264 C GLU A 136 10.823 20.014 -2.341 1.00 1.52 C ATOM 2265 O GLU A 136 11.399 20.990 -1.855 1.00 1.59 O ATOM 2266 CB GLU A 136 9.895 20.375 -4.636 1.00 1.67 C ATOM 2267 CG GLU A 136 8.490 20.002 -4.195 1.00 1.73 C ATOM 2268 CD GLU A 136 7.400 20.712 -4.959 1.00 1.93 C ATOM 2269 OE1 GLU A 136 7.368 20.608 -6.198 1.00 1.99 O ATOM 2270 OE2 GLU A 136 6.545 21.345 -4.310 1.00 2.12 O ATOM 0 H GLU A 136 10.000 17.937 -4.475 1.00 1.46 H new ATOM 0 HA GLU A 136 11.963 19.992 -4.150 1.00 1.52 H new ATOM 0 HB2 GLU A 136 10.026 21.453 -4.544 1.00 1.67 H new ATOM 0 HB3 GLU A 136 10.018 20.128 -5.690 1.00 1.67 H new ATOM 0 HG2 GLU A 136 8.358 18.926 -4.309 1.00 1.73 H new ATOM 0 HG3 GLU A 136 8.381 20.226 -3.134 1.00 1.73 H new ATOM 2277 N LYS A 137 10.049 19.205 -1.632 1.00 1.53 N ATOM 2278 CA LYS A 137 9.746 19.466 -0.232 1.00 1.61 C ATOM 2279 C LYS A 137 10.656 18.637 0.653 1.00 1.55 C ATOM 2280 O LYS A 137 11.374 19.163 1.503 1.00 1.63 O ATOM 2281 CB LYS A 137 8.286 19.123 0.085 1.00 1.72 C ATOM 2282 CG LYS A 137 7.280 19.759 -0.858 1.00 1.83 C ATOM 2283 CD LYS A 137 5.856 19.379 -0.495 1.00 2.14 C ATOM 2284 CE LYS A 137 4.853 19.972 -1.473 1.00 2.31 C ATOM 2285 NZ LYS A 137 5.100 19.537 -2.873 1.00 2.98 N ATOM 0 H LYS A 137 9.618 18.359 -2.005 1.00 1.53 H new ATOM 0 HA LYS A 137 9.907 20.527 -0.041 1.00 1.61 H new ATOM 0 HB2 LYS A 137 8.163 18.040 0.053 1.00 1.72 H new ATOM 0 HB3 LYS A 137 8.063 19.439 1.104 1.00 1.72 H new ATOM 0 HG2 LYS A 137 7.387 20.843 -0.827 1.00 1.83 H new ATOM 0 HG3 LYS A 137 7.491 19.447 -1.881 1.00 1.83 H new ATOM 0 HD2 LYS A 137 5.759 18.293 -0.487 1.00 2.14 H new ATOM 0 HD3 LYS A 137 5.632 19.727 0.513 1.00 2.14 H new ATOM 0 HE2 LYS A 137 3.845 19.680 -1.177 1.00 2.31 H new ATOM 0 HE3 LYS A 137 4.898 21.060 -1.420 1.00 2.31 H new ATOM 0 HZ1 LYS A 137 5.559 20.307 -3.400 1.00 2.98 H new ATOM 0 HZ2 LYS A 137 5.719 18.701 -2.873 1.00 2.98 H new ATOM 0 HZ3 LYS A 137 4.195 19.298 -3.327 1.00 2.98 H new ATOM 2299 N LYS A 138 10.613 17.334 0.430 1.00 1.47 N ATOM 2300 CA LYS A 138 11.385 16.385 1.209 1.00 1.45 C ATOM 2301 C LYS A 138 12.888 16.649 1.055 1.00 1.34 C ATOM 2302 O LYS A 138 13.570 16.922 2.042 1.00 1.43 O ATOM 2303 CB LYS A 138 11.010 14.974 0.756 1.00 1.48 C ATOM 2304 CG LYS A 138 11.326 13.883 1.753 1.00 1.52 C ATOM 2305 CD LYS A 138 10.570 12.599 1.429 1.00 1.58 C ATOM 2306 CE LYS A 138 9.062 12.767 1.585 1.00 1.42 C ATOM 2307 NZ LYS A 138 8.386 13.152 0.309 1.00 1.76 N ATOM 0 H LYS A 138 10.041 16.906 -0.298 1.00 1.47 H new ATOM 0 HA LYS A 138 11.155 16.495 2.269 1.00 1.45 H new ATOM 0 HB2 LYS A 138 9.942 14.949 0.538 1.00 1.48 H new ATOM 0 HB3 LYS A 138 11.531 14.757 -0.177 1.00 1.48 H new ATOM 0 HG2 LYS A 138 12.398 13.686 1.752 1.00 1.52 H new ATOM 0 HG3 LYS A 138 11.064 14.218 2.757 1.00 1.52 H new ATOM 0 HD2 LYS A 138 10.797 12.293 0.408 1.00 1.58 H new ATOM 0 HD3 LYS A 138 10.915 11.800 2.085 1.00 1.58 H new ATOM 0 HE2 LYS A 138 8.633 11.834 1.951 1.00 1.42 H new ATOM 0 HE3 LYS A 138 8.862 13.527 2.340 1.00 1.42 H new ATOM 0 HZ1 LYS A 138 7.357 13.039 0.413 1.00 1.76 H new ATOM 0 HZ2 LYS A 138 8.604 14.144 0.086 1.00 1.76 H new ATOM 0 HZ3 LYS A 138 8.725 12.541 -0.462 1.00 1.76 H new ATOM 2321 N ASP A 169 13.381 16.601 -0.191 1.00 1.23 N ATOM 2322 CA ASP A 169 14.796 16.856 -0.498 1.00 1.18 C ATOM 2323 C ASP A 169 15.704 16.029 0.407 1.00 1.11 C ATOM 2324 O ASP A 169 16.556 16.555 1.122 1.00 1.30 O ATOM 2325 CB ASP A 169 15.097 18.359 -0.377 1.00 1.35 C ATOM 2326 CG ASP A 169 16.525 18.720 -0.741 1.00 1.44 C ATOM 2327 OD1 ASP A 169 16.943 18.445 -1.885 1.00 1.48 O ATOM 2328 OD2 ASP A 169 17.236 19.292 0.114 1.00 1.59 O ATOM 0 H ASP A 169 12.813 16.385 -1.011 1.00 1.23 H new ATOM 0 HA ASP A 169 14.996 16.551 -1.525 1.00 1.18 H new ATOM 0 HB2 ASP A 169 14.415 18.912 -1.023 1.00 1.35 H new ATOM 0 HB3 ASP A 169 14.898 18.680 0.645 1.00 1.35 H new ATOM 2333 N GLU A 170 15.507 14.721 0.376 1.00 0.96 N ATOM 2334 CA GLU A 170 16.249 13.832 1.249 1.00 0.90 C ATOM 2335 C GLU A 170 16.668 12.555 0.542 1.00 0.78 C ATOM 2336 O GLU A 170 16.136 12.191 -0.526 1.00 0.77 O ATOM 2337 CB GLU A 170 15.416 13.472 2.483 1.00 0.98 C ATOM 2338 CG GLU A 170 15.168 14.635 3.420 1.00 1.24 C ATOM 2339 CD GLU A 170 14.293 14.256 4.594 1.00 1.90 C ATOM 2340 OE1 GLU A 170 13.068 14.095 4.404 1.00 2.57 O ATOM 2341 OE2 GLU A 170 14.824 14.126 5.713 1.00 2.27 O ATOM 0 H GLU A 170 14.842 14.255 -0.242 1.00 0.96 H new ATOM 0 HA GLU A 170 17.149 14.367 1.552 1.00 0.90 H new ATOM 0 HB2 GLU A 170 14.456 13.071 2.156 1.00 0.98 H new ATOM 0 HB3 GLU A 170 15.923 12.678 3.032 1.00 0.98 H new ATOM 0 HG2 GLU A 170 16.123 15.010 3.789 1.00 1.24 H new ATOM 0 HG3 GLU A 170 14.697 15.448 2.868 1.00 1.24 H new ATOM 2348 N LEU A 171 17.631 11.888 1.165 1.00 0.73 N ATOM 2349 CA LEU A 171 18.058 10.563 0.763 1.00 0.67 C ATOM 2350 C LEU A 171 17.082 9.562 1.319 1.00 0.62 C ATOM 2351 O LEU A 171 17.006 8.439 0.865 1.00 0.57 O ATOM 2352 CB LEU A 171 19.448 10.262 1.313 1.00 0.71 C ATOM 2353 CG LEU A 171 20.473 11.354 1.077 1.00 0.77 C ATOM 2354 CD1 LEU A 171 21.794 11.004 1.739 1.00 0.86 C ATOM 2355 CD2 LEU A 171 20.655 11.580 -0.411 1.00 0.74 C ATOM 0 H LEU A 171 18.139 12.258 1.969 1.00 0.73 H new ATOM 0 HA LEU A 171 18.092 10.507 -0.325 1.00 0.67 H new ATOM 0 HB2 LEU A 171 19.369 10.083 2.385 1.00 0.71 H new ATOM 0 HB3 LEU A 171 19.810 9.339 0.861 1.00 0.71 H new ATOM 0 HG LEU A 171 20.111 12.279 1.527 1.00 0.77 H new ATOM 0 HD11 LEU A 171 22.515 11.801 1.557 1.00 0.86 H new ATOM 0 HD12 LEU A 171 21.644 10.889 2.812 1.00 0.86 H new ATOM 0 HD13 LEU A 171 22.173 10.070 1.324 1.00 0.86 H new ATOM 0 HD21 LEU A 171 21.393 12.366 -0.572 1.00 0.74 H new ATOM 0 HD22 LEU A 171 20.999 10.658 -0.880 1.00 0.74 H new ATOM 0 HD23 LEU A 171 19.704 11.879 -0.853 1.00 0.74 H new ATOM 2367 N ASN A 172 16.357 9.995 2.334 1.00 0.65 N ATOM 2368 CA ASN A 172 15.296 9.203 2.929 1.00 0.63 C ATOM 2369 C ASN A 172 15.779 7.817 3.333 1.00 0.57 C ATOM 2370 O ASN A 172 15.429 6.824 2.694 1.00 0.53 O ATOM 2371 CB ASN A 172 14.135 9.074 1.947 1.00 0.65 C ATOM 2372 CG ASN A 172 13.258 10.300 1.895 1.00 0.75 C ATOM 2373 OD1 ASN A 172 12.377 10.474 2.732 1.00 0.90 O ATOM 2374 ND2 ASN A 172 13.447 11.130 0.880 1.00 0.80 N ATOM 0 H ASN A 172 16.488 10.908 2.770 1.00 0.65 H new ATOM 0 HA ASN A 172 14.967 9.718 3.832 1.00 0.63 H new ATOM 0 HB2 ASN A 172 14.531 8.877 0.951 1.00 0.65 H new ATOM 0 HB3 ASN A 172 13.527 8.213 2.225 1.00 0.65 H new ATOM 0 HD21 ASN A 172 12.849 11.949 0.773 1.00 0.80 H new ATOM 0 HD22 ASN A 172 14.191 10.950 0.206 1.00 0.80 H new ATOM 2381 N TRP A 173 16.551 7.735 4.403 1.00 0.58 N ATOM 2382 CA TRP A 173 17.059 6.459 4.872 1.00 0.55 C ATOM 2383 C TRP A 173 16.032 5.817 5.800 1.00 0.54 C ATOM 2384 O TRP A 173 15.881 6.231 6.951 1.00 0.61 O ATOM 2385 CB TRP A 173 18.379 6.655 5.626 1.00 0.60 C ATOM 2386 CG TRP A 173 19.555 6.940 4.747 1.00 0.63 C ATOM 2387 CD1 TRP A 173 19.818 8.094 4.067 1.00 0.72 C ATOM 2388 CD2 TRP A 173 20.646 6.057 4.474 1.00 0.64 C ATOM 2389 NE1 TRP A 173 20.998 7.976 3.379 1.00 0.78 N ATOM 2390 CE2 TRP A 173 21.526 6.735 3.613 1.00 0.73 C ATOM 2391 CE3 TRP A 173 20.959 4.755 4.871 1.00 0.65 C ATOM 2392 CZ2 TRP A 173 22.702 6.156 3.144 1.00 0.80 C ATOM 2393 CZ3 TRP A 173 22.126 4.182 4.407 1.00 0.73 C ATOM 2394 CH2 TRP A 173 22.984 4.881 3.552 1.00 0.79 C ATOM 0 H TRP A 173 16.839 8.537 4.963 1.00 0.58 H new ATOM 0 HA TRP A 173 17.238 5.811 4.014 1.00 0.55 H new ATOM 0 HB2 TRP A 173 18.261 7.476 6.333 1.00 0.60 H new ATOM 0 HB3 TRP A 173 18.586 5.759 6.211 1.00 0.60 H new ATOM 0 HD1 TRP A 173 19.189 8.972 4.070 1.00 0.72 H new ATOM 0 HE1 TRP A 173 21.415 8.696 2.789 1.00 0.78 H new ATOM 0 HE3 TRP A 173 20.300 4.207 5.529 1.00 0.65 H new ATOM 0 HZ2 TRP A 173 23.366 6.693 2.483 1.00 0.80 H new ATOM 0 HZ3 TRP A 173 22.381 3.177 4.709 1.00 0.73 H new ATOM 0 HH2 TRP A 173 23.889 4.404 3.206 1.00 0.79 H new ATOM 2405 N LEU A 174 15.320 4.821 5.295 1.00 0.49 N ATOM 2406 CA LEU A 174 14.254 4.185 6.048 1.00 0.49 C ATOM 2407 C LEU A 174 14.802 3.459 7.266 1.00 0.53 C ATOM 2408 O LEU A 174 15.684 2.593 7.152 1.00 0.56 O ATOM 2409 CB LEU A 174 13.463 3.207 5.185 1.00 0.48 C ATOM 2410 CG LEU A 174 12.790 3.791 3.944 1.00 0.50 C ATOM 2411 CD1 LEU A 174 11.691 2.853 3.479 1.00 0.52 C ATOM 2412 CD2 LEU A 174 12.234 5.177 4.226 1.00 0.54 C ATOM 0 H LEU A 174 15.464 4.435 4.362 1.00 0.49 H new ATOM 0 HA LEU A 174 13.583 4.978 6.378 1.00 0.49 H new ATOM 0 HB2 LEU A 174 14.135 2.410 4.867 1.00 0.48 H new ATOM 0 HB3 LEU A 174 12.695 2.746 5.806 1.00 0.48 H new ATOM 0 HG LEU A 174 13.533 3.892 3.153 1.00 0.50 H new ATOM 0 HD11 LEU A 174 11.209 3.268 2.594 1.00 0.52 H new ATOM 0 HD12 LEU A 174 12.121 1.881 3.237 1.00 0.52 H new ATOM 0 HD13 LEU A 174 10.953 2.736 4.272 1.00 0.52 H new ATOM 0 HD21 LEU A 174 11.761 5.569 3.326 1.00 0.54 H new ATOM 0 HD22 LEU A 174 11.497 5.117 5.027 1.00 0.54 H new ATOM 0 HD23 LEU A 174 13.045 5.840 4.528 1.00 0.54 H new ATOM 2424 N ASP A 175 14.211 3.808 8.409 1.00 0.61 N ATOM 2425 CA ASP A 175 14.665 3.397 9.739 1.00 0.72 C ATOM 2426 C ASP A 175 14.241 1.977 10.115 1.00 0.68 C ATOM 2427 O ASP A 175 14.695 1.449 11.131 1.00 0.75 O ATOM 2428 CB ASP A 175 14.098 4.377 10.768 1.00 0.93 C ATOM 2429 CG ASP A 175 12.608 4.608 10.567 1.00 1.83 C ATOM 2430 OD1 ASP A 175 11.802 3.751 10.992 1.00 2.37 O ATOM 2431 OD2 ASP A 175 12.241 5.636 9.959 1.00 2.56 O ATOM 0 H ASP A 175 13.381 4.400 8.437 1.00 0.61 H new ATOM 0 HA ASP A 175 15.755 3.406 9.727 1.00 0.72 H new ATOM 0 HB2 ASP A 175 14.274 3.992 11.772 1.00 0.93 H new ATOM 0 HB3 ASP A 175 14.626 5.328 10.694 1.00 0.93 H new ATOM 2436 N HIS A 176 13.365 1.373 9.311 1.00 0.66 N ATOM 2437 CA HIS A 176 12.888 0.000 9.548 1.00 0.71 C ATOM 2438 C HIS A 176 11.889 -0.077 10.698 1.00 0.83 C ATOM 2439 O HIS A 176 11.807 -1.091 11.387 1.00 1.10 O ATOM 2440 CB HIS A 176 14.050 -0.968 9.808 1.00 0.71 C ATOM 2441 CG HIS A 176 14.829 -1.295 8.581 1.00 0.69 C ATOM 2442 ND1 HIS A 176 14.629 -2.438 7.851 1.00 0.77 N ATOM 2443 CD2 HIS A 176 15.798 -0.608 7.943 1.00 0.67 C ATOM 2444 CE1 HIS A 176 15.435 -2.434 6.812 1.00 0.76 C ATOM 2445 NE2 HIS A 176 16.166 -1.339 6.843 1.00 0.69 N ATOM 0 H HIS A 176 12.966 1.813 8.482 1.00 0.66 H new ATOM 0 HA HIS A 176 12.377 -0.301 8.634 1.00 0.71 H new ATOM 0 HB2 HIS A 176 14.719 -0.531 10.549 1.00 0.71 H new ATOM 0 HB3 HIS A 176 13.657 -1.890 10.237 1.00 0.71 H new ATOM 0 HD1 HIS A 176 13.961 -3.175 8.078 1.00 0.77 H new ATOM 0 HD2 HIS A 176 16.209 0.344 8.244 1.00 0.67 H new ATOM 0 HE1 HIS A 176 15.489 -3.204 6.056 1.00 0.76 H new ATOM 2454 N GLY A 177 11.104 0.970 10.879 1.00 0.82 N ATOM 2455 CA GLY A 177 10.093 0.947 11.922 1.00 0.96 C ATOM 2456 C GLY A 177 8.874 1.774 11.571 1.00 1.00 C ATOM 2457 O GLY A 177 7.743 1.399 11.879 1.00 1.34 O ATOM 0 H GLY A 177 11.144 1.829 10.331 1.00 0.82 H new ATOM 0 HA2 GLY A 177 9.788 -0.083 12.104 1.00 0.96 H new ATOM 0 HA3 GLY A 177 10.526 1.320 12.850 1.00 0.96 H new ATOM 2461 N ARG A 178 9.107 2.896 10.918 1.00 0.90 N ATOM 2462 CA ARG A 178 8.046 3.820 10.559 1.00 0.99 C ATOM 2463 C ARG A 178 7.420 3.424 9.216 1.00 0.87 C ATOM 2464 O ARG A 178 8.122 2.977 8.303 1.00 0.86 O ATOM 2465 CB ARG A 178 8.647 5.223 10.525 1.00 1.22 C ATOM 2466 CG ARG A 178 7.686 6.338 10.177 1.00 1.27 C ATOM 2467 CD ARG A 178 8.368 7.690 10.345 1.00 1.18 C ATOM 2468 NE ARG A 178 9.810 7.597 10.096 1.00 1.23 N ATOM 2469 CZ ARG A 178 10.666 8.610 10.209 1.00 1.74 C ATOM 2470 NH1 ARG A 178 10.234 9.834 10.485 1.00 2.16 N ATOM 2471 NH2 ARG A 178 11.962 8.388 10.040 1.00 2.18 N ATOM 0 H ARG A 178 10.036 3.194 10.621 1.00 0.90 H new ATOM 0 HA ARG A 178 7.239 3.792 11.292 1.00 0.99 H new ATOM 0 HB2 ARG A 178 9.084 5.435 11.501 1.00 1.22 H new ATOM 0 HB3 ARG A 178 9.463 5.232 9.802 1.00 1.22 H new ATOM 0 HG2 ARG A 178 7.339 6.222 9.150 1.00 1.27 H new ATOM 0 HG3 ARG A 178 6.806 6.284 10.818 1.00 1.27 H new ATOM 0 HD2 ARG A 178 7.924 8.411 9.658 1.00 1.18 H new ATOM 0 HD3 ARG A 178 8.195 8.063 11.354 1.00 1.18 H new ATOM 0 HE ARG A 178 10.184 6.690 9.816 1.00 1.23 H new ATOM 0 HH11 ARG A 178 9.237 10.006 10.613 1.00 2.16 H new ATOM 0 HH12 ARG A 178 10.899 10.603 10.569 1.00 2.16 H new ATOM 0 HH21 ARG A 178 12.295 7.448 9.826 1.00 2.18 H new ATOM 0 HH22 ARG A 178 12.626 9.157 10.124 1.00 2.18 H new ATOM 2485 N THR A 179 6.096 3.559 9.109 1.00 0.91 N ATOM 2486 CA THR A 179 5.376 3.118 7.916 1.00 0.89 C ATOM 2487 C THR A 179 5.662 4.020 6.720 1.00 0.86 C ATOM 2488 O THR A 179 6.019 5.183 6.865 1.00 0.91 O ATOM 2489 CB THR A 179 3.850 3.027 8.150 1.00 1.05 C ATOM 2490 OG1 THR A 179 3.183 2.617 6.947 1.00 1.20 O ATOM 2491 CG2 THR A 179 3.279 4.356 8.621 1.00 1.11 C ATOM 0 H THR A 179 5.504 3.969 9.832 1.00 0.91 H new ATOM 0 HA THR A 179 5.744 2.116 7.696 1.00 0.89 H new ATOM 0 HB THR A 179 3.682 2.285 8.930 1.00 1.05 H new ATOM 0 HG1 THR A 179 3.521 1.741 6.668 1.00 1.20 H new ATOM 0 HG21 THR A 179 2.205 4.256 8.776 1.00 1.11 H new ATOM 0 HG22 THR A 179 3.755 4.645 9.558 1.00 1.11 H new ATOM 0 HG23 THR A 179 3.468 5.121 7.867 1.00 1.11 H new ATOM 2499 N LEU A 180 5.461 3.467 5.539 1.00 0.84 N ATOM 2500 CA LEU A 180 5.908 4.078 4.299 1.00 0.84 C ATOM 2501 C LEU A 180 5.141 5.359 3.975 1.00 0.93 C ATOM 2502 O LEU A 180 5.714 6.317 3.453 1.00 0.97 O ATOM 2503 CB LEU A 180 5.772 3.048 3.184 1.00 0.85 C ATOM 2504 CG LEU A 180 6.343 1.675 3.553 1.00 0.83 C ATOM 2505 CD1 LEU A 180 6.181 0.685 2.421 1.00 1.08 C ATOM 2506 CD2 LEU A 180 7.801 1.793 3.955 1.00 0.90 C ATOM 0 H LEU A 180 4.981 2.576 5.411 1.00 0.84 H new ATOM 0 HA LEU A 180 6.951 4.377 4.404 1.00 0.84 H new ATOM 0 HB2 LEU A 180 4.718 2.938 2.927 1.00 0.85 H new ATOM 0 HB3 LEU A 180 6.280 3.418 2.294 1.00 0.85 H new ATOM 0 HG LEU A 180 5.777 1.299 4.405 1.00 0.83 H new ATOM 0 HD11 LEU A 180 6.597 -0.278 2.717 1.00 1.08 H new ATOM 0 HD12 LEU A 180 5.122 0.567 2.189 1.00 1.08 H new ATOM 0 HD13 LEU A 180 6.707 1.051 1.539 1.00 1.08 H new ATOM 0 HD21 LEU A 180 8.188 0.807 4.213 1.00 0.90 H new ATOM 0 HD22 LEU A 180 8.376 2.202 3.124 1.00 0.90 H new ATOM 0 HD23 LEU A 180 7.888 2.454 4.817 1.00 0.90 H new ATOM 2518 N ARG A 181 3.860 5.392 4.305 1.00 1.02 N ATOM 2519 CA ARG A 181 3.055 6.589 4.082 1.00 1.13 C ATOM 2520 C ARG A 181 3.429 7.688 5.068 1.00 1.18 C ATOM 2521 O ARG A 181 3.137 8.858 4.845 1.00 1.36 O ATOM 2522 CB ARG A 181 1.566 6.275 4.183 1.00 1.22 C ATOM 2523 CG ARG A 181 0.884 6.127 2.831 1.00 1.15 C ATOM 2524 CD ARG A 181 -0.521 5.579 2.985 1.00 0.69 C ATOM 2525 NE ARG A 181 -0.497 4.217 3.506 1.00 1.10 N ATOM 2526 CZ ARG A 181 -0.910 3.874 4.724 1.00 2.02 C ATOM 2527 NH1 ARG A 181 -1.495 4.770 5.512 1.00 2.54 N ATOM 2528 NH2 ARG A 181 -0.755 2.629 5.150 1.00 2.64 N ATOM 0 H ARG A 181 3.355 4.612 4.725 1.00 1.02 H new ATOM 0 HA ARG A 181 3.264 6.944 3.073 1.00 1.13 H new ATOM 0 HB2 ARG A 181 1.435 5.353 4.750 1.00 1.22 H new ATOM 0 HB3 ARG A 181 1.073 7.068 4.745 1.00 1.22 H new ATOM 0 HG2 ARG A 181 0.847 7.095 2.331 1.00 1.15 H new ATOM 0 HG3 ARG A 181 1.469 5.462 2.196 1.00 1.15 H new ATOM 0 HD2 ARG A 181 -1.093 6.219 3.657 1.00 0.69 H new ATOM 0 HD3 ARG A 181 -1.029 5.594 2.021 1.00 0.69 H new ATOM 0 HE ARG A 181 -0.141 3.480 2.898 1.00 1.10 H new ATOM 0 HH11 ARG A 181 -1.630 5.727 5.184 1.00 2.54 H new ATOM 0 HH12 ARG A 181 -1.809 4.501 6.444 1.00 2.54 H new ATOM 0 HH21 ARG A 181 -0.319 1.933 4.545 1.00 2.64 H new ATOM 0 HH22 ARG A 181 -1.071 2.366 6.083 1.00 2.64 H new ATOM 2542 N GLU A 182 4.104 7.309 6.146 1.00 1.11 N ATOM 2543 CA GLU A 182 4.549 8.271 7.144 1.00 1.18 C ATOM 2544 C GLU A 182 5.789 9.002 6.629 1.00 1.16 C ATOM 2545 O GLU A 182 6.046 10.148 6.993 1.00 1.25 O ATOM 2546 CB GLU A 182 4.852 7.557 8.461 1.00 1.25 C ATOM 2547 CG GLU A 182 4.803 8.460 9.679 1.00 1.34 C ATOM 2548 CD GLU A 182 3.411 8.990 9.952 1.00 1.89 C ATOM 2549 OE1 GLU A 182 2.562 8.212 10.436 1.00 2.30 O ATOM 2550 OE2 GLU A 182 3.160 10.185 9.686 1.00 2.31 O ATOM 0 H GLU A 182 4.355 6.342 6.351 1.00 1.11 H new ATOM 0 HA GLU A 182 3.759 9.000 7.324 1.00 1.18 H new ATOM 0 HB2 GLU A 182 4.137 6.745 8.595 1.00 1.25 H new ATOM 0 HB3 GLU A 182 5.841 7.104 8.397 1.00 1.25 H new ATOM 0 HG2 GLU A 182 5.156 7.909 10.551 1.00 1.34 H new ATOM 0 HG3 GLU A 182 5.485 9.298 9.534 1.00 1.34 H new ATOM 2557 N GLN A 183 6.558 8.325 5.778 1.00 1.07 N ATOM 2558 CA GLN A 183 7.651 8.968 5.054 1.00 1.06 C ATOM 2559 C GLN A 183 7.115 9.763 3.882 1.00 1.13 C ATOM 2560 O GLN A 183 7.846 10.533 3.261 1.00 1.22 O ATOM 2561 CB GLN A 183 8.641 7.947 4.493 1.00 1.00 C ATOM 2562 CG GLN A 183 9.574 7.333 5.512 1.00 1.00 C ATOM 2563 CD GLN A 183 8.938 6.212 6.298 1.00 1.04 C ATOM 2564 OE1 GLN A 183 8.375 6.437 7.355 1.00 1.65 O ATOM 2565 NE2 GLN A 183 9.010 4.993 5.777 1.00 0.81 N ATOM 0 H GLN A 183 6.444 7.332 5.574 1.00 1.07 H new ATOM 0 HA GLN A 183 8.156 9.616 5.770 1.00 1.06 H new ATOM 0 HB2 GLN A 183 8.080 7.148 4.009 1.00 1.00 H new ATOM 0 HB3 GLN A 183 9.239 8.430 3.720 1.00 1.00 H new ATOM 0 HG2 GLN A 183 10.460 6.954 5.003 1.00 1.00 H new ATOM 0 HG3 GLN A 183 9.909 8.108 6.202 1.00 1.00 H new ATOM 0 HE21 GLN A 183 9.490 4.845 4.889 1.00 0.81 H new ATOM 0 HE22 GLN A 183 8.585 4.204 6.264 1.00 0.81 H new ATOM 2574 N GLY A 184 5.846 9.547 3.565 1.00 1.16 N ATOM 2575 CA GLY A 184 5.281 10.115 2.364 1.00 1.28 C ATOM 2576 C GLY A 184 6.003 9.608 1.135 1.00 1.23 C ATOM 2577 O GLY A 184 6.465 10.394 0.312 1.00 1.38 O ATOM 0 H GLY A 184 5.199 8.987 4.121 1.00 1.16 H new ATOM 0 HA2 GLY A 184 4.223 9.861 2.300 1.00 1.28 H new ATOM 0 HA3 GLY A 184 5.346 11.202 2.406 1.00 1.28 H new ATOM 2581 N VAL A 185 6.146 8.288 1.040 1.00 1.10 N ATOM 2582 CA VAL A 185 6.831 7.678 -0.092 1.00 1.08 C ATOM 2583 C VAL A 185 6.023 7.839 -1.372 1.00 1.02 C ATOM 2584 O VAL A 185 4.798 7.721 -1.374 1.00 1.15 O ATOM 2585 CB VAL A 185 7.133 6.178 0.137 1.00 1.13 C ATOM 2586 CG1 VAL A 185 7.999 5.979 1.368 1.00 1.31 C ATOM 2587 CG2 VAL A 185 5.853 5.371 0.248 1.00 1.14 C ATOM 0 H VAL A 185 5.797 7.624 1.732 1.00 1.10 H new ATOM 0 HA VAL A 185 7.781 8.203 -0.191 1.00 1.08 H new ATOM 0 HB VAL A 185 7.685 5.817 -0.731 1.00 1.13 H new ATOM 0 HG11 VAL A 185 8.196 4.916 1.506 1.00 1.31 H new ATOM 0 HG12 VAL A 185 8.942 6.509 1.239 1.00 1.31 H new ATOM 0 HG13 VAL A 185 7.481 6.369 2.244 1.00 1.31 H new ATOM 0 HG21 VAL A 185 6.098 4.321 0.409 1.00 1.14 H new ATOM 0 HG22 VAL A 185 5.263 5.739 1.087 1.00 1.14 H new ATOM 0 HG23 VAL A 185 5.278 5.473 -0.672 1.00 1.14 H new ATOM 2597 N GLU A 186 6.720 8.125 -2.452 1.00 0.93 N ATOM 2598 CA GLU A 186 6.109 8.285 -3.743 1.00 0.92 C ATOM 2599 C GLU A 186 6.213 6.972 -4.503 1.00 0.83 C ATOM 2600 O GLU A 186 7.060 6.132 -4.193 1.00 0.82 O ATOM 2601 CB GLU A 186 6.803 9.400 -4.538 1.00 1.02 C ATOM 2602 CG GLU A 186 7.027 10.704 -3.772 1.00 1.46 C ATOM 2603 CD GLU A 186 8.108 10.618 -2.701 1.00 2.45 C ATOM 2604 OE1 GLU A 186 8.877 9.628 -2.696 1.00 2.97 O ATOM 2605 OE2 GLU A 186 8.191 11.537 -1.852 1.00 3.02 O ATOM 0 H GLU A 186 7.732 8.253 -2.452 1.00 0.93 H new ATOM 0 HA GLU A 186 5.063 8.560 -3.611 1.00 0.92 H new ATOM 0 HB2 GLU A 186 7.768 9.030 -4.884 1.00 1.02 H new ATOM 0 HB3 GLU A 186 6.208 9.616 -5.425 1.00 1.02 H new ATOM 0 HG2 GLU A 186 7.294 11.488 -4.481 1.00 1.46 H new ATOM 0 HG3 GLU A 186 6.089 11.004 -3.304 1.00 1.46 H new ATOM 2612 N GLU A 187 5.365 6.796 -5.494 1.00 0.89 N ATOM 2613 CA GLU A 187 5.364 5.581 -6.292 1.00 0.91 C ATOM 2614 C GLU A 187 6.102 5.801 -7.609 1.00 0.91 C ATOM 2615 O GLU A 187 6.041 4.972 -8.517 1.00 1.14 O ATOM 2616 CB GLU A 187 3.925 5.157 -6.556 1.00 1.05 C ATOM 2617 CG GLU A 187 3.198 4.648 -5.323 1.00 1.11 C ATOM 2618 CD GLU A 187 1.700 4.571 -5.526 1.00 1.36 C ATOM 2619 OE1 GLU A 187 1.211 3.537 -6.028 1.00 1.72 O ATOM 2620 OE2 GLU A 187 1.006 5.552 -5.196 1.00 1.86 O ATOM 0 H GLU A 187 4.662 7.482 -5.770 1.00 0.89 H new ATOM 0 HA GLU A 187 5.881 4.793 -5.744 1.00 0.91 H new ATOM 0 HB2 GLU A 187 3.376 6.005 -6.966 1.00 1.05 H new ATOM 0 HB3 GLU A 187 3.920 4.377 -7.317 1.00 1.05 H new ATOM 0 HG2 GLU A 187 3.578 3.660 -5.063 1.00 1.11 H new ATOM 0 HG3 GLU A 187 3.414 5.305 -4.480 1.00 1.11 H new ATOM 2627 N HIS A 188 6.817 6.915 -7.701 1.00 0.92 N ATOM 2628 CA HIS A 188 7.475 7.295 -8.947 1.00 0.95 C ATOM 2629 C HIS A 188 8.959 7.597 -8.745 1.00 0.92 C ATOM 2630 O HIS A 188 9.644 7.978 -9.687 1.00 1.01 O ATOM 2631 CB HIS A 188 6.776 8.517 -9.563 1.00 1.04 C ATOM 2632 CG HIS A 188 6.769 9.726 -8.672 1.00 1.03 C ATOM 2633 ND1 HIS A 188 5.745 10.007 -7.799 1.00 1.09 N ATOM 2634 CD2 HIS A 188 7.675 10.720 -8.511 1.00 1.08 C ATOM 2635 CE1 HIS A 188 6.021 11.115 -7.139 1.00 1.14 C ATOM 2636 NE2 HIS A 188 7.185 11.573 -7.553 1.00 1.15 N ATOM 0 H HIS A 188 6.957 7.570 -6.932 1.00 0.92 H new ATOM 0 HA HIS A 188 7.399 6.445 -9.626 1.00 0.95 H new ATOM 0 HB2 HIS A 188 7.270 8.772 -10.501 1.00 1.04 H new ATOM 0 HB3 HIS A 188 5.747 8.251 -9.806 1.00 1.04 H new ATOM 0 HD2 HIS A 188 8.611 10.823 -9.039 1.00 1.08 H new ATOM 0 HE1 HIS A 188 5.397 11.571 -6.385 1.00 1.14 H new ATOM 0 HE2 HIS A 188 7.645 12.419 -7.218 1.00 1.15 H new ATOM 2645 N GLU A 189 9.454 7.417 -7.526 1.00 0.89 N ATOM 2646 CA GLU A 189 10.836 7.778 -7.206 1.00 0.92 C ATOM 2647 C GLU A 189 11.698 6.538 -6.986 1.00 0.78 C ATOM 2648 O GLU A 189 11.177 5.472 -6.650 1.00 0.74 O ATOM 2649 CB GLU A 189 10.859 8.669 -5.969 1.00 1.10 C ATOM 2650 CG GLU A 189 10.341 10.073 -6.222 1.00 1.37 C ATOM 2651 CD GLU A 189 11.143 10.795 -7.280 1.00 1.82 C ATOM 2652 OE1 GLU A 189 12.217 11.330 -6.952 1.00 2.38 O ATOM 2653 OE2 GLU A 189 10.708 10.821 -8.447 1.00 2.34 O ATOM 0 H GLU A 189 8.926 7.026 -6.746 1.00 0.89 H new ATOM 0 HA GLU A 189 11.254 8.323 -8.052 1.00 0.92 H new ATOM 0 HB2 GLU A 189 10.259 8.205 -5.186 1.00 1.10 H new ATOM 0 HB3 GLU A 189 11.881 8.730 -5.594 1.00 1.10 H new ATOM 0 HG2 GLU A 189 9.297 10.023 -6.531 1.00 1.37 H new ATOM 0 HG3 GLU A 189 10.372 10.643 -5.293 1.00 1.37 H new ATOM 2660 N THR A 190 13.010 6.669 -7.204 1.00 0.74 N ATOM 2661 CA THR A 190 13.920 5.539 -7.053 1.00 0.66 C ATOM 2662 C THR A 190 14.329 5.341 -5.600 1.00 0.57 C ATOM 2663 O THR A 190 14.745 6.277 -4.922 1.00 0.61 O ATOM 2664 CB THR A 190 15.186 5.711 -7.919 1.00 0.70 C ATOM 2665 OG1 THR A 190 14.811 6.024 -9.267 1.00 0.81 O ATOM 2666 CG2 THR A 190 16.034 4.442 -7.914 1.00 0.66 C ATOM 0 H THR A 190 13.459 7.541 -7.483 1.00 0.74 H new ATOM 0 HA THR A 190 13.377 4.656 -7.391 1.00 0.66 H new ATOM 0 HB THR A 190 15.777 6.524 -7.497 1.00 0.70 H new ATOM 0 HG1 THR A 190 15.617 6.134 -9.814 1.00 0.81 H new ATOM 0 HG21 THR A 190 16.919 4.593 -8.532 1.00 0.66 H new ATOM 0 HG22 THR A 190 16.340 4.213 -6.893 1.00 0.66 H new ATOM 0 HG23 THR A 190 15.450 3.613 -8.313 1.00 0.66 H new ATOM 2674 N LEU A 191 14.208 4.113 -5.131 1.00 0.48 N ATOM 2675 CA LEU A 191 14.600 3.770 -3.780 1.00 0.42 C ATOM 2676 C LEU A 191 15.753 2.780 -3.864 1.00 0.39 C ATOM 2677 O LEU A 191 15.785 1.937 -4.758 1.00 0.38 O ATOM 2678 CB LEU A 191 13.437 3.144 -2.984 1.00 0.41 C ATOM 2679 CG LEU A 191 12.046 3.802 -3.108 1.00 0.51 C ATOM 2680 CD1 LEU A 191 12.129 5.319 -3.122 1.00 1.01 C ATOM 2681 CD2 LEU A 191 11.305 3.293 -4.335 1.00 0.82 C ATOM 0 H LEU A 191 13.838 3.332 -5.672 1.00 0.48 H new ATOM 0 HA LEU A 191 14.897 4.679 -3.256 1.00 0.42 H new ATOM 0 HB2 LEU A 191 13.344 2.102 -3.290 1.00 0.41 H new ATOM 0 HB3 LEU A 191 13.715 3.143 -1.930 1.00 0.41 H new ATOM 0 HG LEU A 191 11.481 3.515 -2.221 1.00 0.51 H new ATOM 0 HD11 LEU A 191 11.126 5.737 -3.211 1.00 1.01 H new ATOM 0 HD12 LEU A 191 12.587 5.667 -2.196 1.00 1.01 H new ATOM 0 HD13 LEU A 191 12.733 5.643 -3.969 1.00 1.01 H new ATOM 0 HD21 LEU A 191 10.329 3.774 -4.396 1.00 0.82 H new ATOM 0 HD22 LEU A 191 11.881 3.526 -5.231 1.00 0.82 H new ATOM 0 HD23 LEU A 191 11.173 2.214 -4.259 1.00 0.82 H new ATOM 2693 N LEU A 192 16.712 2.875 -2.967 1.00 0.39 N ATOM 2694 CA LEU A 192 17.862 1.992 -3.008 1.00 0.41 C ATOM 2695 C LEU A 192 17.982 1.272 -1.680 1.00 0.40 C ATOM 2696 O LEU A 192 17.508 1.770 -0.660 1.00 0.44 O ATOM 2697 CB LEU A 192 19.144 2.795 -3.246 1.00 0.44 C ATOM 2698 CG LEU A 192 18.981 4.074 -4.066 1.00 0.49 C ATOM 2699 CD1 LEU A 192 20.199 4.963 -3.895 1.00 0.56 C ATOM 2700 CD2 LEU A 192 18.766 3.754 -5.536 1.00 0.50 C ATOM 0 H LEU A 192 16.720 3.551 -2.203 1.00 0.39 H new ATOM 0 HA LEU A 192 17.728 1.278 -3.821 1.00 0.41 H new ATOM 0 HB2 LEU A 192 19.572 3.058 -2.278 1.00 0.44 H new ATOM 0 HB3 LEU A 192 19.866 2.152 -3.749 1.00 0.44 H new ATOM 0 HG LEU A 192 18.101 4.603 -3.701 1.00 0.49 H new ATOM 0 HD11 LEU A 192 20.072 5.871 -4.484 1.00 0.56 H new ATOM 0 HD12 LEU A 192 20.313 5.225 -2.843 1.00 0.56 H new ATOM 0 HD13 LEU A 192 21.088 4.432 -4.235 1.00 0.56 H new ATOM 0 HD21 LEU A 192 18.653 4.681 -6.097 1.00 0.50 H new ATOM 0 HD22 LEU A 192 19.625 3.201 -5.917 1.00 0.50 H new ATOM 0 HD23 LEU A 192 17.866 3.149 -5.649 1.00 0.50 H new ATOM 2712 N LEU A 193 18.584 0.100 -1.681 1.00 0.43 N ATOM 2713 CA LEU A 193 18.941 -0.532 -0.428 1.00 0.50 C ATOM 2714 C LEU A 193 20.439 -0.398 -0.199 1.00 0.47 C ATOM 2715 O LEU A 193 21.231 -0.394 -1.144 1.00 0.49 O ATOM 2716 CB LEU A 193 18.493 -1.999 -0.386 1.00 0.68 C ATOM 2717 CG LEU A 193 19.145 -2.936 -1.402 1.00 0.44 C ATOM 2718 CD1 LEU A 193 20.392 -3.588 -0.828 1.00 1.09 C ATOM 2719 CD2 LEU A 193 18.156 -3.998 -1.839 1.00 1.03 C ATOM 0 H LEU A 193 18.833 -0.426 -2.519 1.00 0.43 H new ATOM 0 HA LEU A 193 18.416 -0.024 0.381 1.00 0.50 H new ATOM 0 HB2 LEU A 193 18.689 -2.388 0.613 1.00 0.68 H new ATOM 0 HB3 LEU A 193 17.414 -2.031 -0.534 1.00 0.68 H new ATOM 0 HG LEU A 193 19.442 -2.343 -2.267 1.00 0.44 H new ATOM 0 HD11 LEU A 193 20.833 -4.249 -1.574 1.00 1.09 H new ATOM 0 HD12 LEU A 193 21.112 -2.817 -0.554 1.00 1.09 H new ATOM 0 HD13 LEU A 193 20.126 -4.166 0.057 1.00 1.09 H new ATOM 0 HD21 LEU A 193 18.630 -4.661 -2.563 1.00 1.03 H new ATOM 0 HD22 LEU A 193 17.837 -4.577 -0.972 1.00 1.03 H new ATOM 0 HD23 LEU A 193 17.289 -3.522 -2.297 1.00 1.03 H new ATOM 2731 N ARG A 194 20.807 -0.268 1.055 1.00 0.46 N ATOM 2732 CA ARG A 194 22.192 -0.087 1.444 1.00 0.46 C ATOM 2733 C ARG A 194 22.548 -1.147 2.462 1.00 0.44 C ATOM 2734 O ARG A 194 21.798 -1.363 3.406 1.00 0.49 O ATOM 2735 CB ARG A 194 22.394 1.295 2.073 1.00 0.53 C ATOM 2736 CG ARG A 194 22.066 2.467 1.162 1.00 0.60 C ATOM 2737 CD ARG A 194 23.089 2.634 0.054 1.00 0.65 C ATOM 2738 NE ARG A 194 24.450 2.742 0.578 1.00 0.69 N ATOM 2739 CZ ARG A 194 25.542 2.769 -0.184 1.00 0.95 C ATOM 2740 NH1 ARG A 194 25.432 2.763 -1.507 1.00 1.25 N ATOM 2741 NH2 ARG A 194 26.741 2.821 0.380 1.00 1.06 N ATOM 0 H ARG A 194 20.154 -0.284 1.839 1.00 0.46 H new ATOM 0 HA ARG A 194 22.828 -0.170 0.562 1.00 0.46 H new ATOM 0 HB2 ARG A 194 21.775 1.365 2.968 1.00 0.53 H new ATOM 0 HB3 ARG A 194 23.432 1.383 2.395 1.00 0.53 H new ATOM 0 HG2 ARG A 194 21.079 2.320 0.724 1.00 0.60 H new ATOM 0 HG3 ARG A 194 22.019 3.382 1.752 1.00 0.60 H new ATOM 0 HD2 ARG A 194 23.029 1.785 -0.626 1.00 0.65 H new ATOM 0 HD3 ARG A 194 22.852 3.525 -0.527 1.00 0.65 H new ATOM 0 HE ARG A 194 24.570 2.800 1.589 1.00 0.69 H new ATOM 0 HH11 ARG A 194 24.510 2.738 -1.942 1.00 1.25 H new ATOM 0 HH12 ARG A 194 26.270 2.784 -2.089 1.00 1.25 H new ATOM 0 HH21 ARG A 194 26.826 2.840 1.396 1.00 1.06 H new ATOM 0 HH22 ARG A 194 27.578 2.842 -0.202 1.00 1.06 H new ATOM 2755 N ARG A 195 23.664 -1.825 2.283 1.00 0.45 N ATOM 2756 CA ARG A 195 24.080 -2.797 3.277 1.00 0.50 C ATOM 2757 C ARG A 195 24.511 -2.078 4.545 1.00 0.55 C ATOM 2758 O ARG A 195 25.560 -1.435 4.582 1.00 0.64 O ATOM 2759 CB ARG A 195 25.202 -3.697 2.768 1.00 0.59 C ATOM 2760 CG ARG A 195 25.364 -4.940 3.622 1.00 1.02 C ATOM 2761 CD ARG A 195 26.372 -5.903 3.034 1.00 1.07 C ATOM 2762 NE ARG A 195 26.211 -7.248 3.583 1.00 1.49 N ATOM 2763 CZ ARG A 195 26.840 -8.317 3.101 1.00 2.13 C ATOM 2764 NH1 ARG A 195 27.758 -8.172 2.156 1.00 2.34 N ATOM 2765 NH2 ARG A 195 26.561 -9.528 3.573 1.00 2.68 N ATOM 0 H ARG A 195 24.286 -1.727 1.481 1.00 0.45 H new ATOM 0 HA ARG A 195 23.227 -3.441 3.492 1.00 0.50 H new ATOM 0 HB2 ARG A 195 24.994 -3.989 1.739 1.00 0.59 H new ATOM 0 HB3 ARG A 195 26.138 -3.139 2.758 1.00 0.59 H new ATOM 0 HG2 ARG A 195 25.679 -4.652 4.625 1.00 1.02 H new ATOM 0 HG3 ARG A 195 24.400 -5.440 3.722 1.00 1.02 H new ATOM 0 HD2 ARG A 195 26.257 -5.935 1.951 1.00 1.07 H new ATOM 0 HD3 ARG A 195 27.381 -5.544 3.237 1.00 1.07 H new ATOM 0 HE ARG A 195 25.584 -7.374 4.377 1.00 1.49 H new ATOM 0 HH11 ARG A 195 27.981 -7.243 1.800 1.00 2.34 H new ATOM 0 HH12 ARG A 195 28.242 -8.990 1.785 1.00 2.34 H new ATOM 0 HH21 ARG A 195 25.862 -9.641 4.308 1.00 2.68 H new ATOM 0 HH22 ARG A 195 27.046 -10.345 3.201 1.00 2.68 H new ATOM 2779 N LYS A 196 23.680 -2.167 5.570 1.00 0.60 N ATOM 2780 CA LYS A 196 23.928 -1.461 6.812 1.00 0.69 C ATOM 2781 C LYS A 196 24.858 -2.266 7.703 1.00 0.76 C ATOM 2782 O LYS A 196 25.848 -1.747 8.214 1.00 0.88 O ATOM 2783 CB LYS A 196 22.613 -1.181 7.538 1.00 0.75 C ATOM 2784 CG LYS A 196 22.779 -0.313 8.773 1.00 0.88 C ATOM 2785 CD LYS A 196 21.454 -0.069 9.471 1.00 1.28 C ATOM 2786 CE LYS A 196 21.603 0.925 10.608 1.00 1.65 C ATOM 2787 NZ LYS A 196 22.026 2.266 10.121 1.00 2.15 N ATOM 0 H LYS A 196 22.825 -2.724 5.564 1.00 0.60 H new ATOM 0 HA LYS A 196 24.406 -0.510 6.578 1.00 0.69 H new ATOM 0 HB2 LYS A 196 21.923 -0.692 6.850 1.00 0.75 H new ATOM 0 HB3 LYS A 196 22.157 -2.128 7.827 1.00 0.75 H new ATOM 0 HG2 LYS A 196 23.471 -0.793 9.465 1.00 0.88 H new ATOM 0 HG3 LYS A 196 23.222 0.642 8.490 1.00 0.88 H new ATOM 0 HD2 LYS A 196 20.725 0.305 8.752 1.00 1.28 H new ATOM 0 HD3 LYS A 196 21.066 -1.011 9.858 1.00 1.28 H new ATOM 0 HE2 LYS A 196 20.655 1.014 11.139 1.00 1.65 H new ATOM 0 HE3 LYS A 196 22.335 0.551 11.324 1.00 1.65 H new ATOM 0 HZ1 LYS A 196 21.826 2.979 10.851 1.00 2.15 H new ATOM 0 HZ2 LYS A 196 23.046 2.255 9.917 1.00 2.15 H new ATOM 0 HZ3 LYS A 196 21.502 2.502 9.254 1.00 2.15 H new ATOM 2801 N PHE A 197 24.540 -3.539 7.881 1.00 0.77 N ATOM 2802 CA PHE A 197 25.351 -4.396 8.723 1.00 0.89 C ATOM 2803 C PHE A 197 26.378 -5.136 7.889 1.00 0.96 C ATOM 2804 O PHE A 197 26.084 -5.608 6.788 1.00 0.92 O ATOM 2805 CB PHE A 197 24.495 -5.400 9.489 1.00 0.95 C ATOM 2806 CG PHE A 197 23.359 -4.778 10.255 1.00 0.94 C ATOM 2807 CD1 PHE A 197 23.579 -3.713 11.115 1.00 1.14 C ATOM 2808 CD2 PHE A 197 22.071 -5.255 10.104 1.00 0.92 C ATOM 2809 CE1 PHE A 197 22.530 -3.141 11.811 1.00 1.19 C ATOM 2810 CE2 PHE A 197 21.018 -4.689 10.794 1.00 0.95 C ATOM 2811 CZ PHE A 197 21.247 -3.629 11.650 1.00 1.03 C ATOM 0 H PHE A 197 23.733 -3.996 7.457 1.00 0.77 H new ATOM 0 HA PHE A 197 25.860 -3.758 9.446 1.00 0.89 H new ATOM 0 HB2 PHE A 197 24.090 -6.128 8.786 1.00 0.95 H new ATOM 0 HB3 PHE A 197 25.131 -5.948 10.184 1.00 0.95 H new ATOM 0 HD1 PHE A 197 24.579 -3.326 11.243 1.00 1.14 H new ATOM 0 HD2 PHE A 197 21.885 -6.083 9.436 1.00 0.92 H new ATOM 0 HE1 PHE A 197 22.713 -2.313 12.480 1.00 1.19 H new ATOM 0 HE2 PHE A 197 20.017 -5.074 10.665 1.00 0.95 H new ATOM 0 HZ PHE A 197 20.426 -3.183 12.192 1.00 1.03 H new