USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1001 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 32 THR OG1 : rot 4:sc= 0.094! USER MOD Set 1.2: A 110 GLN : amide:sc= -0.306 K(o=-0.21,f=1.6) USER MOD Set 2.1: A 24 GLN : amide:sc= -0.243 X(o=-0.13,f=0.062) USER MOD Set 2.2: A 82 GLN : amide:sc= 0.111 X(o=-0.13,f=0.062) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0426 USER MOD Single : A 12 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.038) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 69:sc= -0.72! USER MOD Single : A 19 ASN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -19:sc= 0.318 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -150:sc= 0.619 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0984 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -0.216 (180deg=-0.971) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0271) USER MOD Single : A 48 THR OG1 : rot 76:sc= -0.632 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00465 USER MOD Single : A 58 GLN : amide:sc= -4.25! C(o=-4.2!,f=-7.3!) USER MOD Single : A 60 TYR OH : rot 107:sc= 0.529 USER MOD Single : A 61 SER OG : rot 87:sc= 0.834 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -5.28! C(o=-5.3!,f=-5.3!) USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= 0.639 (180deg=0.392) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00272 USER MOD Single : A 73 THR OG1 : rot -170:sc= -0.0314 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 76 GLN : amide:sc= -2.24! C(o=-2.2!,f=-2.5!) USER MOD Single : A 78 HIS : no HD1:sc= -0.608 X(o=-0.61,f=-0.18) USER MOD Single : A 80 HIS : no HD1:sc= -5.28 K(o=-5.3,f=-3.9!) USER MOD Single : A 81 LYS NZ :NH3+ -157:sc= -3.73! (180deg=-4.85!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -4.22! K(o=-4.2!,f=-1.2) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 102 SER OG : rot 180:sc= 0.00844 USER MOD Single : A 106 LYS NZ :NH3+ -154:sc= -0.233 (180deg=-0.915) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0047 USER MOD Single : A 115 ASN : amide:sc= -0.669 K(o=-0.67,f=-0.078) USER MOD Single : A 121 LYS NZ :NH3+ 135:sc= -4.27! (180deg=-6.52!) USER MOD Single : A 122 THR OG1 : rot 77:sc= 1.07 USER MOD Single : A 124 MET CE :methyl 172:sc= -2.83! (180deg=-3.35!) USER MOD Single : A 127 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0799) USER MOD Single : A 128 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ASP A 8 -17.316 4.776 1.273 1.00 1.35 N ATOM 103 CA ASP A 8 -16.159 5.079 2.161 1.00 1.27 C ATOM 104 C ASP A 8 -15.270 6.133 1.498 1.00 1.19 C ATOM 105 O ASP A 8 -14.822 5.968 0.381 1.00 1.23 O ATOM 106 CB ASP A 8 -15.348 3.803 2.397 1.00 1.26 C ATOM 107 CG ASP A 8 -14.354 4.033 3.537 1.00 1.27 C ATOM 108 OD1 ASP A 8 -14.704 4.738 4.468 1.00 0.38 O ATOM 109 OD2 ASP A 8 -13.260 3.498 3.459 1.00 2.42 O ATOM 0 HA ASP A 8 -16.524 5.459 3.115 1.00 1.27 H new ATOM 0 HB2 ASP A 8 -16.014 2.976 2.643 1.00 1.26 H new ATOM 0 HB3 ASP A 8 -14.816 3.524 1.487 1.00 1.26 H new ATOM 114 N ILE A 9 -15.010 7.216 2.179 1.00 1.09 N ATOM 115 CA ILE A 9 -14.149 8.279 1.588 1.00 1.02 C ATOM 116 C ILE A 9 -12.688 7.826 1.618 1.00 0.98 C ATOM 117 O ILE A 9 -11.905 8.166 0.753 1.00 1.08 O ATOM 118 CB ILE A 9 -14.300 9.568 2.398 1.00 1.04 C ATOM 119 CG1 ILE A 9 -13.377 10.644 1.820 1.00 0.99 C ATOM 120 CG2 ILE A 9 -13.920 9.301 3.855 1.00 1.11 C ATOM 121 CD1 ILE A 9 -14.099 11.993 1.829 1.00 1.06 C ATOM 0 H ILE A 9 -15.357 7.410 3.118 1.00 1.09 H new ATOM 0 HA ILE A 9 -14.453 8.461 0.557 1.00 1.02 H new ATOM 0 HB ILE A 9 -15.334 9.910 2.348 1.00 1.04 H new ATOM 0 HG12 ILE A 9 -12.461 10.706 2.407 1.00 0.99 H new ATOM 0 HG13 ILE A 9 -13.087 10.381 0.803 1.00 0.99 H new ATOM 0 HG21 ILE A 9 -14.027 10.219 4.433 1.00 1.11 H new ATOM 0 HG22 ILE A 9 -14.575 8.534 4.267 1.00 1.11 H new ATOM 0 HG23 ILE A 9 -12.886 8.960 3.905 1.00 1.11 H new ATOM 0 HD11 ILE A 9 -13.443 12.760 1.418 1.00 1.06 H new ATOM 0 HD12 ILE A 9 -15.003 11.926 1.223 1.00 1.06 H new ATOM 0 HD13 ILE A 9 -14.367 12.256 2.852 1.00 1.06 H new ATOM 133 N THR A 10 -12.315 7.060 2.606 1.00 0.87 N ATOM 134 CA THR A 10 -10.904 6.586 2.689 1.00 0.83 C ATOM 135 C THR A 10 -10.484 6.000 1.339 1.00 0.76 C ATOM 136 O THR A 10 -9.523 6.434 0.736 1.00 0.58 O ATOM 137 CB THR A 10 -10.791 5.509 3.771 1.00 0.94 C ATOM 138 OG1 THR A 10 -11.590 5.875 4.886 1.00 1.02 O ATOM 139 CG2 THR A 10 -9.332 5.374 4.208 1.00 0.91 C ATOM 0 H THR A 10 -12.925 6.742 3.359 1.00 0.87 H new ATOM 0 HA THR A 10 -10.253 7.423 2.941 1.00 0.83 H new ATOM 0 HB THR A 10 -11.138 4.555 3.373 1.00 0.94 H new ATOM 0 HG1 THR A 10 -11.520 5.186 5.579 1.00 1.02 H new ATOM 0 HG21 THR A 10 -9.252 4.607 4.978 1.00 0.91 H new ATOM 0 HG22 THR A 10 -8.720 5.092 3.351 1.00 0.91 H new ATOM 0 HG23 THR A 10 -8.982 6.326 4.607 1.00 0.91 H new ATOM 147 N LEU A 11 -11.196 5.017 0.861 1.00 0.91 N ATOM 148 CA LEU A 11 -10.836 4.406 -0.449 1.00 0.85 C ATOM 149 C LEU A 11 -10.642 5.509 -1.491 1.00 0.74 C ATOM 150 O LEU A 11 -9.988 5.318 -2.497 1.00 0.67 O ATOM 151 CB LEU A 11 -11.960 3.470 -0.900 1.00 0.90 C ATOM 152 CG LEU A 11 -12.263 2.458 0.207 1.00 0.94 C ATOM 153 CD1 LEU A 11 -13.394 1.532 -0.241 1.00 1.17 C ATOM 154 CD2 LEU A 11 -11.011 1.627 0.499 1.00 0.89 C ATOM 0 H LEU A 11 -12.011 4.611 1.321 1.00 0.91 H new ATOM 0 HA LEU A 11 -9.911 3.840 -0.344 1.00 0.85 H new ATOM 0 HB2 LEU A 11 -12.855 4.047 -1.134 1.00 0.90 H new ATOM 0 HB3 LEU A 11 -11.669 2.949 -1.812 1.00 0.90 H new ATOM 0 HG LEU A 11 -12.565 2.990 1.109 1.00 0.94 H new ATOM 0 HD11 LEU A 11 -13.609 0.812 0.548 1.00 1.17 H new ATOM 0 HD12 LEU A 11 -14.287 2.122 -0.447 1.00 1.17 H new ATOM 0 HD13 LEU A 11 -13.093 1.001 -1.144 1.00 1.17 H new ATOM 0 HD21 LEU A 11 -11.228 0.907 1.288 1.00 0.89 H new ATOM 0 HD22 LEU A 11 -10.708 1.096 -0.404 1.00 0.89 H new ATOM 0 HD23 LEU A 11 -10.204 2.285 0.821 1.00 0.89 H new ATOM 166 N GLN A 12 -11.205 6.663 -1.258 1.00 0.73 N ATOM 167 CA GLN A 12 -11.051 7.776 -2.236 1.00 0.65 C ATOM 168 C GLN A 12 -9.681 8.432 -2.053 1.00 0.55 C ATOM 169 O GLN A 12 -8.826 8.354 -2.912 1.00 0.46 O ATOM 170 CB GLN A 12 -12.150 8.817 -2.002 1.00 0.71 C ATOM 171 CG GLN A 12 -12.368 9.626 -3.282 1.00 0.78 C ATOM 172 CD GLN A 12 -12.750 11.063 -2.920 1.00 0.50 C ATOM 173 OE1 GLN A 12 -13.771 11.559 -3.351 1.00 0.56 O ATOM 174 NE2 GLN A 12 -11.967 11.755 -2.139 1.00 1.74 N ATOM 0 H GLN A 12 -11.764 6.883 -0.434 1.00 0.73 H new ATOM 0 HA GLN A 12 -11.132 7.382 -3.249 1.00 0.65 H new ATOM 0 HB2 GLN A 12 -13.077 8.323 -1.709 1.00 0.71 H new ATOM 0 HB3 GLN A 12 -11.869 9.480 -1.184 1.00 0.71 H new ATOM 0 HG2 GLN A 12 -11.461 9.621 -3.887 1.00 0.78 H new ATOM 0 HG3 GLN A 12 -13.155 9.170 -3.883 1.00 0.78 H new ATOM 0 HE21 GLN A 12 -11.109 11.338 -1.777 1.00 1.74 H new ATOM 0 HE22 GLN A 12 -12.212 12.713 -1.890 1.00 1.74 H new ATOM 183 N GLU A 13 -9.464 9.077 -0.939 1.00 0.57 N ATOM 184 CA GLU A 13 -8.149 9.735 -0.703 1.00 0.48 C ATOM 185 C GLU A 13 -7.027 8.710 -0.881 1.00 0.43 C ATOM 186 O GLU A 13 -5.904 9.053 -1.194 1.00 0.34 O ATOM 187 CB GLU A 13 -8.107 10.298 0.719 1.00 0.52 C ATOM 188 CG GLU A 13 -7.718 9.189 1.699 1.00 0.58 C ATOM 189 CD GLU A 13 -8.158 9.578 3.111 1.00 0.87 C ATOM 190 OE1 GLU A 13 -8.170 10.763 3.401 1.00 1.19 O ATOM 191 OE2 GLU A 13 -8.474 8.685 3.878 1.00 1.97 O ATOM 0 H GLU A 13 -10.141 9.176 -0.183 1.00 0.57 H new ATOM 0 HA GLU A 13 -8.016 10.547 -1.418 1.00 0.48 H new ATOM 0 HB2 GLU A 13 -7.389 11.116 0.776 1.00 0.52 H new ATOM 0 HB3 GLU A 13 -9.080 10.709 0.987 1.00 0.52 H new ATOM 0 HG2 GLU A 13 -8.187 8.250 1.406 1.00 0.58 H new ATOM 0 HG3 GLU A 13 -6.640 9.029 1.674 1.00 0.58 H new ATOM 198 N ILE A 14 -7.322 7.454 -0.685 1.00 0.49 N ATOM 199 CA ILE A 14 -6.271 6.410 -0.843 1.00 0.48 C ATOM 200 C ILE A 14 -5.904 6.277 -2.323 1.00 0.44 C ATOM 201 O ILE A 14 -4.760 6.431 -2.704 1.00 0.38 O ATOM 202 CB ILE A 14 -6.802 5.070 -0.329 1.00 0.58 C ATOM 203 CG1 ILE A 14 -6.834 5.090 1.201 1.00 0.52 C ATOM 204 CG2 ILE A 14 -5.885 3.941 -0.804 1.00 0.63 C ATOM 205 CD1 ILE A 14 -7.642 3.896 1.711 1.00 0.63 C ATOM 0 H ILE A 14 -8.244 7.106 -0.423 1.00 0.49 H new ATOM 0 HA ILE A 14 -5.387 6.695 -0.272 1.00 0.48 H new ATOM 0 HB ILE A 14 -7.809 4.906 -0.713 1.00 0.58 H new ATOM 0 HG12 ILE A 14 -5.819 5.051 1.597 1.00 0.52 H new ATOM 0 HG13 ILE A 14 -7.279 6.021 1.554 1.00 0.52 H new ATOM 0 HG21 ILE A 14 -6.263 2.987 -0.438 1.00 0.63 H new ATOM 0 HG22 ILE A 14 -5.859 3.927 -1.894 1.00 0.63 H new ATOM 0 HG23 ILE A 14 -4.878 4.104 -0.419 1.00 0.63 H new ATOM 0 HD11 ILE A 14 -7.664 3.911 2.801 1.00 0.63 H new ATOM 0 HD12 ILE A 14 -8.660 3.955 1.326 1.00 0.63 H new ATOM 0 HD13 ILE A 14 -7.178 2.970 1.370 1.00 0.63 H new ATOM 217 N ILE A 15 -6.865 5.995 -3.159 1.00 0.48 N ATOM 218 CA ILE A 15 -6.570 5.855 -4.613 1.00 0.45 C ATOM 219 C ILE A 15 -5.711 7.035 -5.073 1.00 0.41 C ATOM 220 O ILE A 15 -4.705 6.864 -5.733 1.00 0.40 O ATOM 221 CB ILE A 15 -7.880 5.840 -5.401 1.00 0.45 C ATOM 222 CG1 ILE A 15 -8.620 4.527 -5.132 1.00 0.45 C ATOM 223 CG2 ILE A 15 -7.580 5.957 -6.896 1.00 0.46 C ATOM 224 CD1 ILE A 15 -10.087 4.674 -5.546 1.00 0.43 C ATOM 0 H ILE A 15 -7.841 5.856 -2.898 1.00 0.48 H new ATOM 0 HA ILE A 15 -6.032 4.923 -4.787 1.00 0.45 H new ATOM 0 HB ILE A 15 -8.501 6.680 -5.089 1.00 0.45 H new ATOM 0 HG12 ILE A 15 -8.154 3.714 -5.688 1.00 0.45 H new ATOM 0 HG13 ILE A 15 -8.553 4.269 -4.075 1.00 0.45 H new ATOM 0 HG21 ILE A 15 -8.515 5.946 -7.457 1.00 0.46 H new ATOM 0 HG22 ILE A 15 -7.052 6.891 -7.089 1.00 0.46 H new ATOM 0 HG23 ILE A 15 -6.959 5.118 -7.209 1.00 0.46 H new ATOM 0 HD11 ILE A 15 -10.614 3.739 -5.355 1.00 0.43 H new ATOM 0 HD12 ILE A 15 -10.549 5.476 -4.970 1.00 0.43 H new ATOM 0 HD13 ILE A 15 -10.143 4.911 -6.608 1.00 0.43 H new ATOM 236 N LYS A 16 -6.100 8.232 -4.729 1.00 0.40 N ATOM 237 CA LYS A 16 -5.307 9.422 -5.145 1.00 0.38 C ATOM 238 C LYS A 16 -3.862 9.260 -4.669 1.00 0.39 C ATOM 239 O LYS A 16 -2.924 9.525 -5.394 1.00 0.39 O ATOM 240 CB LYS A 16 -5.912 10.680 -4.519 1.00 0.42 C ATOM 241 CG LYS A 16 -5.658 11.884 -5.432 1.00 1.33 C ATOM 242 CD LYS A 16 -6.793 12.005 -6.457 1.00 1.58 C ATOM 243 CE LYS A 16 -8.089 12.452 -5.769 1.00 1.28 C ATOM 244 NZ LYS A 16 -8.599 13.687 -6.429 1.00 1.58 N ATOM 0 H LYS A 16 -6.933 8.437 -4.178 1.00 0.40 H new ATOM 0 HA LYS A 16 -5.325 9.512 -6.231 1.00 0.38 H new ATOM 0 HB2 LYS A 16 -6.983 10.544 -4.369 1.00 0.42 H new ATOM 0 HB3 LYS A 16 -5.473 10.857 -3.537 1.00 0.42 H new ATOM 0 HG2 LYS A 16 -5.593 12.796 -4.838 1.00 1.33 H new ATOM 0 HG3 LYS A 16 -4.703 11.769 -5.945 1.00 1.33 H new ATOM 0 HD2 LYS A 16 -6.518 12.722 -7.230 1.00 1.58 H new ATOM 0 HD3 LYS A 16 -6.948 11.046 -6.952 1.00 1.58 H new ATOM 0 HE2 LYS A 16 -8.836 11.660 -5.827 1.00 1.28 H new ATOM 0 HE3 LYS A 16 -7.906 12.641 -4.711 1.00 1.28 H new ATOM 0 HZ1 LYS A 16 -9.478 13.992 -5.964 1.00 1.58 H new ATOM 0 HZ2 LYS A 16 -7.887 14.441 -6.352 1.00 1.58 H new ATOM 0 HZ3 LYS A 16 -8.789 13.491 -7.433 1.00 1.58 H new ATOM 258 N THR A 17 -3.677 8.826 -3.453 1.00 0.40 N ATOM 259 CA THR A 17 -2.294 8.647 -2.926 1.00 0.41 C ATOM 260 C THR A 17 -1.513 7.713 -3.851 1.00 0.38 C ATOM 261 O THR A 17 -0.356 7.941 -4.147 1.00 0.41 O ATOM 262 CB THR A 17 -2.358 8.041 -1.523 1.00 0.49 C ATOM 263 OG1 THR A 17 -3.533 8.495 -0.865 1.00 0.75 O ATOM 264 CG2 THR A 17 -1.126 8.467 -0.724 1.00 0.31 C ATOM 0 H THR A 17 -4.424 8.587 -2.801 1.00 0.40 H new ATOM 0 HA THR A 17 -1.794 9.614 -2.881 1.00 0.41 H new ATOM 0 HB THR A 17 -2.381 6.954 -1.598 1.00 0.49 H new ATOM 0 HG1 THR A 17 -4.321 8.096 -1.290 1.00 0.75 H new ATOM 0 HG21 THR A 17 -1.173 8.034 0.275 1.00 0.31 H new ATOM 0 HG22 THR A 17 -0.226 8.117 -1.229 1.00 0.31 H new ATOM 0 HG23 THR A 17 -1.100 9.554 -0.648 1.00 0.31 H new ATOM 272 N LEU A 18 -2.133 6.661 -4.311 1.00 0.38 N ATOM 273 CA LEU A 18 -1.422 5.714 -5.216 1.00 0.42 C ATOM 274 C LEU A 18 -0.939 6.463 -6.460 1.00 0.39 C ATOM 275 O LEU A 18 0.179 6.292 -6.904 1.00 0.42 O ATOM 276 CB LEU A 18 -2.377 4.593 -5.634 1.00 0.49 C ATOM 277 CG LEU A 18 -3.027 3.986 -4.390 1.00 0.38 C ATOM 278 CD1 LEU A 18 -3.961 2.848 -4.806 1.00 0.54 C ATOM 279 CD2 LEU A 18 -1.939 3.436 -3.464 1.00 0.15 C ATOM 0 H LEU A 18 -3.100 6.416 -4.100 1.00 0.38 H new ATOM 0 HA LEU A 18 -0.566 5.286 -4.694 1.00 0.42 H new ATOM 0 HB2 LEU A 18 -3.143 4.984 -6.303 1.00 0.49 H new ATOM 0 HB3 LEU A 18 -1.834 3.825 -6.185 1.00 0.49 H new ATOM 0 HG LEU A 18 -3.598 4.754 -3.868 1.00 0.38 H new ATOM 0 HD11 LEU A 18 -4.424 2.415 -3.919 1.00 0.54 H new ATOM 0 HD12 LEU A 18 -4.735 3.236 -5.467 1.00 0.54 H new ATOM 0 HD13 LEU A 18 -3.389 2.081 -5.328 1.00 0.54 H new ATOM 0 HD21 LEU A 18 -2.401 3.003 -2.577 1.00 0.15 H new ATOM 0 HD22 LEU A 18 -1.369 2.668 -3.988 1.00 0.15 H new ATOM 0 HD23 LEU A 18 -1.271 4.245 -3.167 1.00 0.15 H new ATOM 291 N ASN A 19 -1.773 7.293 -7.026 1.00 0.35 N ATOM 292 CA ASN A 19 -1.360 8.051 -8.240 1.00 0.36 C ATOM 293 C ASN A 19 -0.082 8.838 -7.942 1.00 0.35 C ATOM 294 O ASN A 19 0.831 8.884 -8.741 1.00 0.37 O ATOM 295 CB ASN A 19 -2.475 9.021 -8.639 1.00 0.39 C ATOM 296 CG ASN A 19 -3.501 8.290 -9.506 1.00 0.64 C ATOM 297 OD1 ASN A 19 -3.757 8.683 -10.627 1.00 1.81 O ATOM 298 ND2 ASN A 19 -4.105 7.236 -9.031 1.00 0.76 N ATOM 0 H ASN A 19 -2.722 7.478 -6.700 1.00 0.35 H new ATOM 0 HA ASN A 19 -1.174 7.354 -9.057 1.00 0.36 H new ATOM 0 HB2 ASN A 19 -2.957 9.424 -7.748 1.00 0.39 H new ATOM 0 HB3 ASN A 19 -2.058 9.867 -9.186 1.00 0.39 H new ATOM 0 HD21 ASN A 19 -4.792 6.742 -9.600 1.00 0.76 H new ATOM 0 HD22 ASN A 19 -3.890 6.906 -8.090 1.00 0.76 H new ATOM 305 N SER A 20 -0.009 9.459 -6.796 1.00 0.36 N ATOM 306 CA SER A 20 1.211 10.240 -6.449 1.00 0.39 C ATOM 307 C SER A 20 2.436 9.328 -6.508 1.00 0.37 C ATOM 308 O SER A 20 3.456 9.677 -7.067 1.00 0.36 O ATOM 309 CB SER A 20 1.067 10.812 -5.038 1.00 0.48 C ATOM 310 OG SER A 20 0.254 11.977 -5.083 1.00 0.69 O ATOM 0 H SER A 20 -0.741 9.459 -6.086 1.00 0.36 H new ATOM 0 HA SER A 20 1.333 11.057 -7.161 1.00 0.39 H new ATOM 0 HB2 SER A 20 0.622 10.069 -4.376 1.00 0.48 H new ATOM 0 HB3 SER A 20 2.048 11.055 -4.630 1.00 0.48 H new ATOM 0 HG SER A 20 0.159 12.345 -4.180 1.00 0.69 H new ATOM 316 N LEU A 21 2.346 8.159 -5.935 1.00 0.40 N ATOM 317 CA LEU A 21 3.507 7.226 -5.959 1.00 0.43 C ATOM 318 C LEU A 21 3.779 6.789 -7.401 1.00 0.34 C ATOM 319 O LEU A 21 4.900 6.817 -7.866 1.00 0.41 O ATOM 320 CB LEU A 21 3.193 5.995 -5.105 1.00 0.48 C ATOM 321 CG LEU A 21 2.782 6.437 -3.699 1.00 0.23 C ATOM 322 CD1 LEU A 21 2.460 5.207 -2.850 1.00 0.36 C ATOM 323 CD2 LEU A 21 3.930 7.217 -3.049 1.00 0.76 C ATOM 0 H LEU A 21 1.519 7.810 -5.451 1.00 0.40 H new ATOM 0 HA LEU A 21 4.386 7.731 -5.558 1.00 0.43 H new ATOM 0 HB2 LEU A 21 2.391 5.416 -5.564 1.00 0.48 H new ATOM 0 HB3 LEU A 21 4.066 5.344 -5.052 1.00 0.48 H new ATOM 0 HG LEU A 21 1.901 7.075 -3.765 1.00 0.23 H new ATOM 0 HD11 LEU A 21 2.167 5.523 -1.849 1.00 0.36 H new ATOM 0 HD12 LEU A 21 1.642 4.652 -3.309 1.00 0.36 H new ATOM 0 HD13 LEU A 21 3.341 4.568 -2.786 1.00 0.36 H new ATOM 0 HD21 LEU A 21 3.635 7.531 -2.048 1.00 0.76 H new ATOM 0 HD22 LEU A 21 4.812 6.580 -2.985 1.00 0.76 H new ATOM 0 HD23 LEU A 21 4.160 8.096 -3.652 1.00 0.76 H new ATOM 335 N THR A 22 2.761 6.385 -8.112 1.00 0.24 N ATOM 336 CA THR A 22 2.965 5.948 -9.521 1.00 0.19 C ATOM 337 C THR A 22 3.770 7.010 -10.272 1.00 0.24 C ATOM 338 O THR A 22 4.495 6.710 -11.200 1.00 0.46 O ATOM 339 CB THR A 22 1.606 5.764 -10.200 1.00 0.08 C ATOM 340 OG1 THR A 22 0.891 6.991 -10.167 1.00 0.03 O ATOM 341 CG2 THR A 22 0.807 4.686 -9.465 1.00 0.04 C ATOM 0 H THR A 22 1.798 6.339 -7.778 1.00 0.24 H new ATOM 0 HA THR A 22 3.508 5.003 -9.533 1.00 0.19 H new ATOM 0 HB THR A 22 1.756 5.459 -11.235 1.00 0.08 H new ATOM 0 HG1 THR A 22 1.268 7.571 -9.473 1.00 0.03 H new ATOM 0 HG21 THR A 22 -0.161 4.556 -9.950 1.00 0.04 H new ATOM 0 HG22 THR A 22 1.356 3.745 -9.492 1.00 0.04 H new ATOM 0 HG23 THR A 22 0.656 4.988 -8.429 1.00 0.04 H new ATOM 349 N GLU A 23 3.651 8.248 -9.878 1.00 0.22 N ATOM 350 CA GLU A 23 4.411 9.327 -10.569 1.00 0.22 C ATOM 351 C GLU A 23 5.890 9.231 -10.190 1.00 0.29 C ATOM 352 O GLU A 23 6.763 9.567 -10.965 1.00 0.30 O ATOM 353 CB GLU A 23 3.862 10.690 -10.145 1.00 0.26 C ATOM 354 CG GLU A 23 2.378 10.779 -10.506 1.00 0.32 C ATOM 355 CD GLU A 23 2.183 11.808 -11.620 1.00 0.68 C ATOM 356 OE1 GLU A 23 2.306 12.989 -11.337 1.00 0.76 O ATOM 357 OE2 GLU A 23 1.915 11.399 -12.738 1.00 1.97 O ATOM 0 H GLU A 23 3.060 8.559 -9.107 1.00 0.22 H new ATOM 0 HA GLU A 23 4.304 9.213 -11.648 1.00 0.22 H new ATOM 0 HB2 GLU A 23 3.995 10.829 -9.072 1.00 0.26 H new ATOM 0 HB3 GLU A 23 4.416 11.487 -10.641 1.00 0.26 H new ATOM 0 HG2 GLU A 23 2.013 9.804 -10.829 1.00 0.32 H new ATOM 0 HG3 GLU A 23 1.796 11.063 -9.629 1.00 0.32 H new ATOM 364 N GLN A 24 6.178 8.776 -9.002 1.00 0.34 N ATOM 365 CA GLN A 24 7.601 8.658 -8.573 1.00 0.41 C ATOM 366 C GLN A 24 8.125 7.265 -8.926 1.00 0.42 C ATOM 367 O GLN A 24 7.380 6.306 -8.981 1.00 0.46 O ATOM 368 CB GLN A 24 7.697 8.872 -7.061 1.00 0.48 C ATOM 369 CG GLN A 24 7.085 10.226 -6.697 1.00 0.33 C ATOM 370 CD GLN A 24 7.684 10.719 -5.379 1.00 0.78 C ATOM 371 OE1 GLN A 24 7.795 11.909 -5.156 1.00 0.86 O ATOM 372 NE2 GLN A 24 8.080 9.849 -4.489 1.00 2.43 N ATOM 0 H GLN A 24 5.490 8.481 -8.309 1.00 0.34 H new ATOM 0 HA GLN A 24 8.199 9.412 -9.085 1.00 0.41 H new ATOM 0 HB2 GLN A 24 7.175 8.072 -6.536 1.00 0.48 H new ATOM 0 HB3 GLN A 24 8.739 8.835 -6.743 1.00 0.48 H new ATOM 0 HG2 GLN A 24 7.278 10.949 -7.489 1.00 0.33 H new ATOM 0 HG3 GLN A 24 6.003 10.135 -6.605 1.00 0.33 H new ATOM 0 HE21 GLN A 24 7.987 8.850 -4.675 1.00 2.43 H new ATOM 0 HE22 GLN A 24 8.482 10.168 -3.608 1.00 2.43 H new ATOM 381 N LYS A 25 9.402 7.143 -9.166 1.00 0.41 N ATOM 382 CA LYS A 25 9.971 5.812 -9.515 1.00 0.41 C ATOM 383 C LYS A 25 11.429 5.741 -9.059 1.00 0.47 C ATOM 384 O LYS A 25 12.341 6.010 -9.816 1.00 0.87 O ATOM 385 CB LYS A 25 9.900 5.608 -11.031 1.00 0.38 C ATOM 386 CG LYS A 25 8.437 5.556 -11.473 1.00 0.30 C ATOM 387 CD LYS A 25 8.354 5.019 -12.903 1.00 0.70 C ATOM 388 CE LYS A 25 6.930 5.196 -13.434 1.00 0.92 C ATOM 389 NZ LYS A 25 6.908 6.297 -14.438 1.00 0.81 N ATOM 0 H LYS A 25 10.076 7.908 -9.135 1.00 0.41 H new ATOM 0 HA LYS A 25 9.397 5.031 -9.015 1.00 0.41 H new ATOM 0 HB2 LYS A 25 10.416 6.421 -11.542 1.00 0.38 H new ATOM 0 HB3 LYS A 25 10.407 4.684 -11.308 1.00 0.38 H new ATOM 0 HG2 LYS A 25 7.865 4.917 -10.800 1.00 0.30 H new ATOM 0 HG3 LYS A 25 7.995 6.551 -11.421 1.00 0.30 H new ATOM 0 HD2 LYS A 25 9.060 5.548 -13.543 1.00 0.70 H new ATOM 0 HD3 LYS A 25 8.633 3.965 -12.924 1.00 0.70 H new ATOM 0 HE2 LYS A 25 6.582 4.268 -13.888 1.00 0.92 H new ATOM 0 HE3 LYS A 25 6.250 5.424 -12.613 1.00 0.92 H new ATOM 0 HZ1 LYS A 25 5.940 6.418 -14.799 1.00 0.81 H new ATOM 0 HZ2 LYS A 25 7.224 7.181 -13.991 1.00 0.81 H new ATOM 0 HZ3 LYS A 25 7.545 6.061 -15.226 1.00 0.81 H new ATOM 403 N THR A 26 11.659 5.380 -7.826 1.00 0.16 N ATOM 404 CA THR A 26 13.058 5.290 -7.323 1.00 0.17 C ATOM 405 C THR A 26 13.573 3.860 -7.501 1.00 0.16 C ATOM 406 O THR A 26 12.957 3.047 -8.163 1.00 0.26 O ATOM 407 CB THR A 26 13.091 5.662 -5.838 1.00 0.20 C ATOM 408 OG1 THR A 26 12.788 4.515 -5.057 1.00 0.34 O ATOM 409 CG2 THR A 26 12.062 6.759 -5.562 1.00 0.14 C ATOM 0 H THR A 26 10.937 5.143 -7.145 1.00 0.16 H new ATOM 0 HA THR A 26 13.691 5.977 -7.885 1.00 0.17 H new ATOM 0 HB THR A 26 14.084 6.026 -5.576 1.00 0.20 H new ATOM 0 HG1 THR A 26 12.349 4.792 -4.226 1.00 0.34 H new ATOM 0 HG21 THR A 26 12.086 7.023 -4.505 1.00 0.14 H new ATOM 0 HG22 THR A 26 12.298 7.638 -6.161 1.00 0.14 H new ATOM 0 HG23 THR A 26 11.067 6.399 -5.823 1.00 0.14 H new ATOM 417 N LEU A 27 14.696 3.544 -6.917 1.00 0.16 N ATOM 418 CA LEU A 27 15.244 2.165 -7.056 1.00 0.15 C ATOM 419 C LEU A 27 14.611 1.256 -6.001 1.00 0.18 C ATOM 420 O LEU A 27 14.845 0.063 -5.974 1.00 0.31 O ATOM 421 CB LEU A 27 16.762 2.195 -6.863 1.00 0.14 C ATOM 422 CG LEU A 27 17.101 2.903 -5.550 1.00 0.32 C ATOM 423 CD1 LEU A 27 18.066 2.038 -4.737 1.00 1.08 C ATOM 424 CD2 LEU A 27 17.759 4.250 -5.854 1.00 1.04 C ATOM 0 H LEU A 27 15.257 4.180 -6.350 1.00 0.16 H new ATOM 0 HA LEU A 27 15.014 1.782 -8.050 1.00 0.15 H new ATOM 0 HB2 LEU A 27 17.157 1.179 -6.852 1.00 0.14 H new ATOM 0 HB3 LEU A 27 17.234 2.712 -7.698 1.00 0.14 H new ATOM 0 HG LEU A 27 16.187 3.064 -4.978 1.00 0.32 H new ATOM 0 HD11 LEU A 27 18.307 2.543 -3.802 1.00 1.08 H new ATOM 0 HD12 LEU A 27 17.599 1.077 -4.521 1.00 1.08 H new ATOM 0 HD13 LEU A 27 18.980 1.877 -5.309 1.00 1.08 H new ATOM 0 HD21 LEU A 27 18.001 4.756 -4.919 1.00 1.04 H new ATOM 0 HD22 LEU A 27 18.672 4.088 -6.426 1.00 1.04 H new ATOM 0 HD23 LEU A 27 17.073 4.868 -6.434 1.00 1.04 H new ATOM 436 N CYS A 28 13.811 1.809 -5.130 1.00 0.09 N ATOM 437 CA CYS A 28 13.163 0.977 -4.078 1.00 0.12 C ATOM 438 C CYS A 28 12.094 0.089 -4.719 1.00 0.17 C ATOM 439 O CYS A 28 11.361 -0.603 -4.040 1.00 0.20 O ATOM 440 CB CYS A 28 12.513 1.888 -3.035 1.00 0.09 C ATOM 441 SG CYS A 28 12.989 1.346 -1.375 1.00 0.17 S ATOM 0 H CYS A 28 13.579 2.802 -5.102 1.00 0.09 H new ATOM 0 HA CYS A 28 13.913 0.351 -3.595 1.00 0.12 H new ATOM 0 HB2 CYS A 28 12.824 2.920 -3.195 1.00 0.09 H new ATOM 0 HB3 CYS A 28 11.428 1.862 -3.140 1.00 0.09 H new ATOM 446 N THR A 29 11.998 0.104 -6.020 1.00 0.34 N ATOM 447 CA THR A 29 10.976 -0.738 -6.703 1.00 0.40 C ATOM 448 C THR A 29 11.577 -2.109 -7.025 1.00 0.48 C ATOM 449 O THR A 29 10.931 -3.128 -6.892 1.00 0.75 O ATOM 450 CB THR A 29 10.536 -0.057 -8.000 1.00 0.48 C ATOM 451 OG1 THR A 29 11.619 -0.054 -8.922 1.00 0.65 O ATOM 452 CG2 THR A 29 10.110 1.382 -7.705 1.00 0.48 C ATOM 0 H THR A 29 12.584 0.663 -6.640 1.00 0.34 H new ATOM 0 HA THR A 29 10.113 -0.863 -6.049 1.00 0.40 H new ATOM 0 HB THR A 29 9.694 -0.601 -8.429 1.00 0.48 H new ATOM 0 HG1 THR A 29 11.339 0.380 -9.755 1.00 0.65 H new ATOM 0 HG21 THR A 29 9.797 1.866 -8.630 1.00 0.48 H new ATOM 0 HG22 THR A 29 9.280 1.378 -6.999 1.00 0.48 H new ATOM 0 HG23 THR A 29 10.949 1.929 -7.276 1.00 0.48 H new ATOM 460 N GLU A 30 12.812 -2.140 -7.447 1.00 0.35 N ATOM 461 CA GLU A 30 13.453 -3.444 -7.776 1.00 0.39 C ATOM 462 C GLU A 30 13.238 -4.425 -6.622 1.00 0.32 C ATOM 463 O GLU A 30 13.446 -5.613 -6.758 1.00 0.38 O ATOM 464 CB GLU A 30 14.953 -3.234 -7.994 1.00 0.47 C ATOM 465 CG GLU A 30 15.176 -2.419 -9.270 1.00 0.31 C ATOM 466 CD GLU A 30 15.600 -3.353 -10.405 1.00 0.85 C ATOM 467 OE1 GLU A 30 16.645 -3.970 -10.279 1.00 1.71 O ATOM 468 OE2 GLU A 30 14.872 -3.437 -11.381 1.00 1.50 O ATOM 0 H GLU A 30 13.404 -1.320 -7.578 1.00 0.35 H new ATOM 0 HA GLU A 30 13.006 -3.849 -8.684 1.00 0.39 H new ATOM 0 HB2 GLU A 30 15.386 -2.715 -7.139 1.00 0.47 H new ATOM 0 HB3 GLU A 30 15.458 -4.197 -8.072 1.00 0.47 H new ATOM 0 HG2 GLU A 30 14.262 -1.891 -9.541 1.00 0.31 H new ATOM 0 HG3 GLU A 30 15.943 -1.663 -9.102 1.00 0.31 H new ATOM 475 N LEU A 31 12.821 -3.935 -5.486 1.00 0.25 N ATOM 476 CA LEU A 31 12.593 -4.839 -4.324 1.00 0.20 C ATOM 477 C LEU A 31 11.289 -5.613 -4.529 1.00 0.16 C ATOM 478 O LEU A 31 10.258 -5.042 -4.830 1.00 0.44 O ATOM 479 CB LEU A 31 12.499 -4.009 -3.043 1.00 0.17 C ATOM 480 CG LEU A 31 13.605 -2.954 -3.036 1.00 0.14 C ATOM 481 CD1 LEU A 31 13.655 -2.274 -1.667 1.00 0.30 C ATOM 482 CD2 LEU A 31 14.951 -3.625 -3.319 1.00 0.19 C ATOM 0 H LEU A 31 12.629 -2.948 -5.313 1.00 0.25 H new ATOM 0 HA LEU A 31 13.423 -5.541 -4.241 1.00 0.20 H new ATOM 0 HB2 LEU A 31 11.523 -3.528 -2.980 1.00 0.17 H new ATOM 0 HB3 LEU A 31 12.593 -4.656 -2.171 1.00 0.17 H new ATOM 0 HG LEU A 31 13.400 -2.209 -3.805 1.00 0.14 H new ATOM 0 HD11 LEU A 31 14.444 -1.522 -1.663 1.00 0.30 H new ATOM 0 HD12 LEU A 31 12.697 -1.796 -1.463 1.00 0.30 H new ATOM 0 HD13 LEU A 31 13.860 -3.019 -0.898 1.00 0.30 H new ATOM 0 HD21 LEU A 31 15.740 -2.873 -3.314 1.00 0.19 H new ATOM 0 HD22 LEU A 31 15.155 -4.370 -2.550 1.00 0.19 H new ATOM 0 HD23 LEU A 31 14.918 -4.110 -4.295 1.00 0.19 H new ATOM 494 N THR A 32 11.323 -6.907 -4.367 1.00 0.21 N ATOM 495 CA THR A 32 10.085 -7.715 -4.553 1.00 0.17 C ATOM 496 C THR A 32 9.300 -7.752 -3.240 1.00 0.17 C ATOM 497 O THR A 32 9.805 -8.160 -2.214 1.00 0.17 O ATOM 498 CB THR A 32 10.461 -9.140 -4.963 1.00 0.25 C ATOM 499 OG1 THR A 32 11.036 -9.814 -3.851 1.00 0.69 O ATOM 500 CG2 THR A 32 11.469 -9.093 -6.111 1.00 0.30 C ATOM 0 H THR A 32 12.155 -7.440 -4.114 1.00 0.21 H new ATOM 0 HA THR A 32 9.471 -7.264 -5.332 1.00 0.17 H new ATOM 0 HB THR A 32 9.568 -9.673 -5.289 1.00 0.25 H new ATOM 0 HG1 THR A 32 10.998 -9.234 -3.062 1.00 0.69 H new ATOM 0 HG21 THR A 32 11.736 -10.109 -6.402 1.00 0.30 H new ATOM 0 HG22 THR A 32 11.027 -8.576 -6.962 1.00 0.30 H new ATOM 0 HG23 THR A 32 12.364 -8.561 -5.788 1.00 0.30 H new ATOM 508 N VAL A 33 8.065 -7.328 -3.265 1.00 0.22 N ATOM 509 CA VAL A 33 7.247 -7.339 -2.019 1.00 0.27 C ATOM 510 C VAL A 33 6.456 -8.647 -1.939 1.00 0.27 C ATOM 511 O VAL A 33 6.535 -9.485 -2.814 1.00 0.17 O ATOM 512 CB VAL A 33 6.278 -6.156 -2.035 1.00 0.33 C ATOM 513 CG1 VAL A 33 7.041 -4.876 -2.376 1.00 0.27 C ATOM 514 CG2 VAL A 33 5.196 -6.400 -3.090 1.00 0.41 C ATOM 0 H VAL A 33 7.588 -6.975 -4.094 1.00 0.22 H new ATOM 0 HA VAL A 33 7.903 -7.259 -1.153 1.00 0.27 H new ATOM 0 HB VAL A 33 5.815 -6.052 -1.054 1.00 0.33 H new ATOM 0 HG11 VAL A 33 6.350 -4.033 -2.387 1.00 0.27 H new ATOM 0 HG12 VAL A 33 7.813 -4.702 -1.627 1.00 0.27 H new ATOM 0 HG13 VAL A 33 7.504 -4.979 -3.357 1.00 0.27 H new ATOM 0 HG21 VAL A 33 4.504 -5.558 -3.103 1.00 0.41 H new ATOM 0 HG22 VAL A 33 5.661 -6.503 -4.071 1.00 0.41 H new ATOM 0 HG23 VAL A 33 4.652 -7.313 -2.849 1.00 0.41 H new ATOM 524 N THR A 34 5.694 -8.825 -0.895 1.00 0.39 N ATOM 525 CA THR A 34 4.898 -10.078 -0.761 1.00 0.41 C ATOM 526 C THR A 34 3.504 -9.864 -1.356 1.00 0.43 C ATOM 527 O THR A 34 2.838 -8.891 -1.066 1.00 0.48 O ATOM 528 CB THR A 34 4.769 -10.442 0.721 1.00 0.40 C ATOM 529 OG1 THR A 34 6.065 -10.577 1.287 1.00 0.48 O ATOM 530 CG2 THR A 34 4.009 -11.763 0.859 1.00 0.25 C ATOM 0 H THR A 34 5.588 -8.158 -0.130 1.00 0.39 H new ATOM 0 HA THR A 34 5.400 -10.886 -1.293 1.00 0.41 H new ATOM 0 HB THR A 34 4.224 -9.656 1.244 1.00 0.40 H new ATOM 0 HG1 THR A 34 5.985 -10.808 2.236 1.00 0.48 H new ATOM 0 HG21 THR A 34 3.917 -12.022 1.914 1.00 0.25 H new ATOM 0 HG22 THR A 34 3.015 -11.658 0.424 1.00 0.25 H new ATOM 0 HG23 THR A 34 4.552 -12.551 0.338 1.00 0.25 H new ATOM 538 N ASP A 35 3.059 -10.766 -2.187 1.00 0.44 N ATOM 539 CA ASP A 35 1.710 -10.615 -2.800 1.00 0.48 C ATOM 540 C ASP A 35 0.644 -11.060 -1.797 1.00 0.47 C ATOM 541 O ASP A 35 0.946 -11.650 -0.778 1.00 0.60 O ATOM 542 CB ASP A 35 1.624 -11.483 -4.059 1.00 0.52 C ATOM 543 CG ASP A 35 0.488 -10.986 -4.958 1.00 0.53 C ATOM 544 OD1 ASP A 35 -0.178 -10.040 -4.574 1.00 1.54 O ATOM 545 OD2 ASP A 35 0.304 -11.564 -6.018 1.00 0.94 O ATOM 0 H ASP A 35 3.572 -11.602 -2.468 1.00 0.44 H new ATOM 0 HA ASP A 35 1.544 -9.571 -3.067 1.00 0.48 H new ATOM 0 HB2 ASP A 35 2.569 -11.449 -4.600 1.00 0.52 H new ATOM 0 HB3 ASP A 35 1.452 -12.523 -3.783 1.00 0.52 H new ATOM 550 N ILE A 36 -0.601 -10.785 -2.076 1.00 0.54 N ATOM 551 CA ILE A 36 -1.685 -11.194 -1.136 1.00 0.52 C ATOM 552 C ILE A 36 -2.940 -11.561 -1.931 1.00 0.63 C ATOM 553 O ILE A 36 -3.693 -12.436 -1.550 1.00 0.63 O ATOM 554 CB ILE A 36 -2.002 -10.035 -0.188 1.00 0.36 C ATOM 555 CG1 ILE A 36 -2.007 -8.720 -0.972 1.00 0.34 C ATOM 556 CG2 ILE A 36 -0.938 -9.968 0.909 1.00 0.67 C ATOM 557 CD1 ILE A 36 -2.783 -7.661 -0.187 1.00 0.34 C ATOM 0 H ILE A 36 -0.915 -10.295 -2.914 1.00 0.54 H new ATOM 0 HA ILE A 36 -1.357 -12.058 -0.558 1.00 0.52 H new ATOM 0 HB ILE A 36 -2.981 -10.193 0.263 1.00 0.36 H new ATOM 0 HG12 ILE A 36 -0.985 -8.383 -1.145 1.00 0.34 H new ATOM 0 HG13 ILE A 36 -2.463 -8.869 -1.951 1.00 0.34 H new ATOM 0 HG21 ILE A 36 -1.163 -9.143 1.584 1.00 0.67 H new ATOM 0 HG22 ILE A 36 -0.933 -10.904 1.468 1.00 0.67 H new ATOM 0 HG23 ILE A 36 0.041 -9.810 0.457 1.00 0.67 H new ATOM 0 HD11 ILE A 36 -2.787 -6.725 -0.745 1.00 0.34 H new ATOM 0 HD12 ILE A 36 -3.809 -7.998 -0.037 1.00 0.34 H new ATOM 0 HD13 ILE A 36 -2.307 -7.505 0.781 1.00 0.34 H new ATOM 569 N PHE A 37 -3.174 -10.902 -3.033 1.00 0.76 N ATOM 570 CA PHE A 37 -4.381 -11.218 -3.848 1.00 0.91 C ATOM 571 C PHE A 37 -4.160 -12.533 -4.597 1.00 1.05 C ATOM 572 O PHE A 37 -5.077 -13.102 -5.156 1.00 1.17 O ATOM 573 CB PHE A 37 -4.626 -10.092 -4.855 1.00 1.00 C ATOM 574 CG PHE A 37 -4.532 -8.759 -4.153 1.00 0.86 C ATOM 575 CD1 PHE A 37 -5.615 -8.286 -3.401 1.00 0.91 C ATOM 576 CD2 PHE A 37 -3.364 -7.995 -4.253 1.00 0.72 C ATOM 577 CE1 PHE A 37 -5.530 -7.050 -2.750 1.00 0.84 C ATOM 578 CE2 PHE A 37 -3.277 -6.758 -3.602 1.00 0.66 C ATOM 579 CZ PHE A 37 -4.360 -6.286 -2.851 1.00 0.74 C ATOM 0 H PHE A 37 -2.582 -10.159 -3.404 1.00 0.76 H new ATOM 0 HA PHE A 37 -5.247 -11.314 -3.193 1.00 0.91 H new ATOM 0 HB2 PHE A 37 -3.893 -10.144 -5.660 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -5.609 -10.206 -5.312 1.00 1.00 H new ATOM 0 HD1 PHE A 37 -6.516 -8.876 -3.323 1.00 0.91 H new ATOM 0 HD2 PHE A 37 -2.529 -8.360 -4.833 1.00 0.72 H new ATOM 0 HE1 PHE A 37 -6.365 -6.686 -2.170 1.00 0.84 H new ATOM 0 HE2 PHE A 37 -2.375 -6.169 -3.679 1.00 0.66 H new ATOM 0 HZ PHE A 37 -4.294 -5.332 -2.349 1.00 0.74 H new ATOM 589 N ALA A 38 -2.950 -13.021 -4.614 1.00 1.05 N ATOM 590 CA ALA A 38 -2.671 -14.299 -5.328 1.00 1.21 C ATOM 591 C ALA A 38 -2.781 -15.466 -4.345 1.00 0.89 C ATOM 592 O ALA A 38 -2.239 -16.530 -4.567 1.00 0.85 O ATOM 593 CB ALA A 38 -1.259 -14.258 -5.914 1.00 1.55 C ATOM 0 H ALA A 38 -2.142 -12.590 -4.164 1.00 1.05 H new ATOM 0 HA ALA A 38 -3.394 -14.431 -6.132 1.00 1.21 H new ATOM 0 HB1 ALA A 38 -1.055 -15.193 -6.436 1.00 1.55 H new ATOM 0 HB2 ALA A 38 -1.180 -13.426 -6.614 1.00 1.55 H new ATOM 0 HB3 ALA A 38 -0.535 -14.126 -5.110 1.00 1.55 H new ATOM 599 N ALA A 39 -3.480 -15.277 -3.259 1.00 0.71 N ATOM 600 CA ALA A 39 -3.625 -16.376 -2.264 1.00 0.45 C ATOM 601 C ALA A 39 -4.988 -16.270 -1.579 1.00 0.29 C ATOM 602 O ALA A 39 -5.288 -17.000 -0.656 1.00 0.75 O ATOM 603 CB ALA A 39 -2.516 -16.263 -1.216 1.00 0.77 C ATOM 0 H ALA A 39 -3.957 -14.408 -3.018 1.00 0.71 H new ATOM 0 HA ALA A 39 -3.549 -17.338 -2.772 1.00 0.45 H new ATOM 0 HB1 ALA A 39 -2.621 -17.067 -0.487 1.00 0.77 H new ATOM 0 HB2 ALA A 39 -1.545 -16.341 -1.704 1.00 0.77 H new ATOM 0 HB3 ALA A 39 -2.591 -15.301 -0.709 1.00 0.77 H new ATOM 609 N SER A 40 -5.817 -15.365 -2.023 1.00 0.46 N ATOM 610 CA SER A 40 -7.160 -15.214 -1.395 1.00 0.28 C ATOM 611 C SER A 40 -7.917 -16.540 -1.485 1.00 0.26 C ATOM 612 O SER A 40 -8.716 -16.751 -2.376 1.00 0.44 O ATOM 613 CB SER A 40 -7.946 -14.128 -2.130 1.00 0.64 C ATOM 614 OG SER A 40 -7.540 -12.851 -1.655 1.00 0.93 O ATOM 0 H SER A 40 -5.623 -14.724 -2.793 1.00 0.46 H new ATOM 0 HA SER A 40 -7.043 -14.933 -0.348 1.00 0.28 H new ATOM 0 HB2 SER A 40 -7.773 -14.201 -3.204 1.00 0.64 H new ATOM 0 HB3 SER A 40 -9.015 -14.265 -1.970 1.00 0.64 H new ATOM 0 HG SER A 40 -8.041 -12.152 -2.126 1.00 0.93 H new ATOM 620 N LYS A 41 -7.673 -17.436 -0.568 1.00 0.77 N ATOM 621 CA LYS A 41 -8.378 -18.748 -0.601 1.00 1.22 C ATOM 622 C LYS A 41 -9.642 -18.669 0.258 1.00 1.28 C ATOM 623 O LYS A 41 -10.698 -19.128 -0.130 1.00 1.92 O ATOM 624 CB LYS A 41 -7.455 -19.838 -0.050 1.00 1.54 C ATOM 625 CG LYS A 41 -6.308 -20.081 -1.033 1.00 1.55 C ATOM 626 CD LYS A 41 -6.457 -21.470 -1.658 1.00 1.15 C ATOM 627 CE LYS A 41 -5.294 -21.724 -2.618 1.00 1.79 C ATOM 628 NZ LYS A 41 -5.112 -20.539 -3.504 1.00 2.38 N ATOM 0 H LYS A 41 -7.016 -17.316 0.203 1.00 0.77 H new ATOM 0 HA LYS A 41 -8.651 -18.988 -1.629 1.00 1.22 H new ATOM 0 HB2 LYS A 41 -7.059 -19.538 0.920 1.00 1.54 H new ATOM 0 HB3 LYS A 41 -8.016 -20.760 0.106 1.00 1.54 H new ATOM 0 HG2 LYS A 41 -6.314 -19.318 -1.811 1.00 1.55 H new ATOM 0 HG3 LYS A 41 -5.351 -20.003 -0.518 1.00 1.55 H new ATOM 0 HD2 LYS A 41 -6.472 -22.232 -0.878 1.00 1.15 H new ATOM 0 HD3 LYS A 41 -7.405 -21.541 -2.191 1.00 1.15 H new ATOM 0 HE2 LYS A 41 -4.380 -21.915 -2.056 1.00 1.79 H new ATOM 0 HE3 LYS A 41 -5.491 -22.613 -3.218 1.00 1.79 H new ATOM 0 HZ1 LYS A 41 -4.564 -20.815 -4.344 1.00 2.38 H new ATOM 0 HZ2 LYS A 41 -6.042 -20.180 -3.800 1.00 2.38 H new ATOM 0 HZ3 LYS A 41 -4.602 -19.794 -2.987 1.00 2.38 H new ATOM 642 N ASP A 42 -9.543 -18.092 1.424 1.00 0.96 N ATOM 643 CA ASP A 42 -10.738 -17.984 2.307 1.00 0.90 C ATOM 644 C ASP A 42 -10.647 -16.701 3.134 1.00 0.88 C ATOM 645 O ASP A 42 -10.624 -16.734 4.348 1.00 1.75 O ATOM 646 CB ASP A 42 -10.789 -19.193 3.245 1.00 0.96 C ATOM 647 CG ASP A 42 -9.553 -19.194 4.145 1.00 2.13 C ATOM 648 OD1 ASP A 42 -8.527 -19.689 3.710 1.00 2.81 O ATOM 649 OD2 ASP A 42 -9.653 -18.698 5.256 1.00 2.66 O ATOM 0 H ASP A 42 -8.686 -17.690 1.803 1.00 0.96 H new ATOM 0 HA ASP A 42 -11.640 -17.959 1.696 1.00 0.90 H new ATOM 0 HB2 ASP A 42 -11.694 -19.158 3.852 1.00 0.96 H new ATOM 0 HB3 ASP A 42 -10.830 -20.115 2.665 1.00 0.96 H new ATOM 654 N THR A 43 -10.592 -15.570 2.484 1.00 0.21 N ATOM 655 CA THR A 43 -10.501 -14.282 3.230 1.00 0.37 C ATOM 656 C THR A 43 -11.275 -13.200 2.474 1.00 0.17 C ATOM 657 O THR A 43 -11.140 -13.049 1.276 1.00 0.36 O ATOM 658 CB THR A 43 -9.033 -13.868 3.354 1.00 0.64 C ATOM 659 OG1 THR A 43 -8.315 -14.330 2.218 1.00 0.87 O ATOM 660 CG2 THR A 43 -8.433 -14.478 4.621 1.00 1.37 C ATOM 0 H THR A 43 -10.606 -15.482 1.468 1.00 0.21 H new ATOM 0 HA THR A 43 -10.929 -14.406 4.225 1.00 0.37 H new ATOM 0 HB THR A 43 -8.966 -12.782 3.410 1.00 0.64 H new ATOM 0 HG1 THR A 43 -7.375 -14.064 2.295 1.00 0.87 H new ATOM 0 HG21 THR A 43 -7.388 -14.182 4.707 1.00 1.37 H new ATOM 0 HG22 THR A 43 -8.984 -14.123 5.492 1.00 1.37 H new ATOM 0 HG23 THR A 43 -8.499 -15.565 4.568 1.00 1.37 H new ATOM 668 N THR A 44 -12.084 -12.445 3.166 1.00 0.39 N ATOM 669 CA THR A 44 -12.865 -11.373 2.486 1.00 0.34 C ATOM 670 C THR A 44 -11.988 -10.129 2.323 1.00 0.17 C ATOM 671 O THR A 44 -10.801 -10.157 2.580 1.00 0.09 O ATOM 672 CB THR A 44 -14.092 -11.023 3.331 1.00 0.62 C ATOM 673 OG1 THR A 44 -13.677 -10.347 4.509 1.00 0.79 O ATOM 674 CG2 THR A 44 -14.834 -12.305 3.711 1.00 0.54 C ATOM 0 H THR A 44 -12.238 -12.524 4.171 1.00 0.39 H new ATOM 0 HA THR A 44 -13.186 -11.723 1.505 1.00 0.34 H new ATOM 0 HB THR A 44 -14.757 -10.378 2.757 1.00 0.62 H new ATOM 0 HG1 THR A 44 -14.462 -10.121 5.050 1.00 0.79 H new ATOM 0 HG21 THR A 44 -15.708 -12.055 4.313 1.00 0.54 H new ATOM 0 HG22 THR A 44 -15.153 -12.823 2.806 1.00 0.54 H new ATOM 0 HG23 THR A 44 -14.171 -12.952 4.285 1.00 0.54 H new ATOM 682 N GLU A 45 -12.563 -9.039 1.895 1.00 0.25 N ATOM 683 CA GLU A 45 -11.762 -7.795 1.715 1.00 0.18 C ATOM 684 C GLU A 45 -11.135 -7.394 3.052 1.00 0.07 C ATOM 685 O GLU A 45 -10.042 -6.865 3.102 1.00 0.11 O ATOM 686 CB GLU A 45 -12.672 -6.669 1.220 1.00 0.33 C ATOM 687 CG GLU A 45 -13.733 -7.246 0.280 1.00 0.56 C ATOM 688 CD GLU A 45 -14.967 -7.649 1.088 1.00 0.71 C ATOM 689 OE1 GLU A 45 -14.822 -7.886 2.276 1.00 2.03 O ATOM 690 OE2 GLU A 45 -16.037 -7.714 0.505 1.00 1.03 O ATOM 0 H GLU A 45 -13.553 -8.956 1.662 1.00 0.25 H new ATOM 0 HA GLU A 45 -10.974 -7.973 0.983 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -13.150 -6.175 2.066 1.00 0.33 H new ATOM 0 HB3 GLU A 45 -12.083 -5.913 0.701 1.00 0.33 H new ATOM 0 HG2 GLU A 45 -14.005 -6.508 -0.475 1.00 0.56 H new ATOM 0 HG3 GLU A 45 -13.333 -8.111 -0.249 1.00 0.56 H new ATOM 697 N LYS A 46 -11.817 -7.640 4.136 1.00 0.14 N ATOM 698 CA LYS A 46 -11.261 -7.272 5.469 1.00 0.20 C ATOM 699 C LYS A 46 -9.806 -7.738 5.563 1.00 0.11 C ATOM 700 O LYS A 46 -8.885 -6.950 5.477 1.00 0.30 O ATOM 701 CB LYS A 46 -12.084 -7.946 6.569 1.00 0.39 C ATOM 702 CG LYS A 46 -13.302 -7.080 6.897 1.00 0.30 C ATOM 703 CD LYS A 46 -12.939 -6.087 8.003 1.00 0.49 C ATOM 704 CE LYS A 46 -14.128 -5.163 8.268 1.00 0.46 C ATOM 705 NZ LYS A 46 -15.163 -5.896 9.050 1.00 1.19 N ATOM 0 H LYS A 46 -12.737 -8.081 4.157 1.00 0.14 H new ATOM 0 HA LYS A 46 -11.304 -6.190 5.593 1.00 0.20 H new ATOM 0 HB2 LYS A 46 -12.405 -8.936 6.243 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -11.473 -8.086 7.461 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -13.631 -6.545 6.007 1.00 0.30 H new ATOM 0 HG3 LYS A 46 -14.133 -7.709 7.216 1.00 0.30 H new ATOM 0 HD2 LYS A 46 -12.671 -6.623 8.914 1.00 0.49 H new ATOM 0 HD3 LYS A 46 -12.068 -5.501 7.709 1.00 0.49 H new ATOM 0 HE2 LYS A 46 -13.801 -4.280 8.816 1.00 0.46 H new ATOM 0 HE3 LYS A 46 -14.549 -4.815 7.325 1.00 0.46 H new ATOM 0 HZ1 LYS A 46 -15.925 -5.241 9.317 1.00 1.19 H new ATOM 0 HZ2 LYS A 46 -15.556 -6.665 8.471 1.00 1.19 H new ATOM 0 HZ3 LYS A 46 -14.732 -6.294 9.908 1.00 1.19 H new ATOM 719 N GLU A 47 -9.592 -9.013 5.739 1.00 0.13 N ATOM 720 CA GLU A 47 -8.197 -9.527 5.838 1.00 0.20 C ATOM 721 C GLU A 47 -7.377 -9.014 4.654 1.00 0.26 C ATOM 722 O GLU A 47 -6.222 -8.665 4.791 1.00 0.66 O ATOM 723 CB GLU A 47 -8.217 -11.057 5.821 1.00 0.29 C ATOM 724 CG GLU A 47 -8.240 -11.585 7.257 1.00 0.78 C ATOM 725 CD GLU A 47 -6.869 -11.372 7.902 1.00 2.29 C ATOM 726 OE1 GLU A 47 -5.878 -11.538 7.210 1.00 3.20 O ATOM 727 OE2 GLU A 47 -6.834 -11.045 9.077 1.00 2.73 O ATOM 0 H GLU A 47 -10.322 -9.721 5.818 1.00 0.13 H new ATOM 0 HA GLU A 47 -7.746 -9.179 6.767 1.00 0.20 H new ATOM 0 HB2 GLU A 47 -9.092 -11.413 5.278 1.00 0.29 H new ATOM 0 HB3 GLU A 47 -7.340 -11.437 5.297 1.00 0.29 H new ATOM 0 HG2 GLU A 47 -9.009 -11.069 7.833 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -8.495 -12.645 7.262 1.00 0.78 H new ATOM 734 N THR A 48 -7.964 -8.966 3.490 1.00 0.15 N ATOM 735 CA THR A 48 -7.216 -8.476 2.298 1.00 0.09 C ATOM 736 C THR A 48 -6.569 -7.127 2.618 1.00 0.09 C ATOM 737 O THR A 48 -5.428 -6.880 2.280 1.00 0.22 O ATOM 738 CB THR A 48 -8.181 -8.313 1.120 1.00 0.13 C ATOM 739 OG1 THR A 48 -9.102 -9.395 1.113 1.00 0.16 O ATOM 740 CG2 THR A 48 -7.393 -8.302 -0.190 1.00 0.19 C ATOM 0 H THR A 48 -8.929 -9.245 3.313 1.00 0.15 H new ATOM 0 HA THR A 48 -6.441 -9.196 2.036 1.00 0.09 H new ATOM 0 HB THR A 48 -8.724 -7.373 1.221 1.00 0.13 H new ATOM 0 HG1 THR A 48 -9.772 -9.259 1.815 1.00 0.16 H new ATOM 0 HG21 THR A 48 -8.081 -8.186 -1.027 1.00 0.19 H new ATOM 0 HG22 THR A 48 -6.687 -7.472 -0.183 1.00 0.19 H new ATOM 0 HG23 THR A 48 -6.849 -9.240 -0.295 1.00 0.19 H new ATOM 748 N PHE A 49 -7.286 -6.252 3.268 1.00 0.26 N ATOM 749 CA PHE A 49 -6.708 -4.921 3.608 1.00 0.28 C ATOM 750 C PHE A 49 -5.600 -5.097 4.649 1.00 0.19 C ATOM 751 O PHE A 49 -4.570 -4.455 4.586 1.00 0.15 O ATOM 752 CB PHE A 49 -7.804 -4.018 4.178 1.00 0.40 C ATOM 753 CG PHE A 49 -8.787 -3.664 3.085 1.00 0.31 C ATOM 754 CD1 PHE A 49 -8.374 -2.881 1.999 1.00 0.40 C ATOM 755 CD2 PHE A 49 -10.111 -4.117 3.157 1.00 0.22 C ATOM 756 CE1 PHE A 49 -9.283 -2.553 0.987 1.00 0.45 C ATOM 757 CE2 PHE A 49 -11.019 -3.789 2.144 1.00 0.21 C ATOM 758 CZ PHE A 49 -10.606 -3.007 1.060 1.00 0.37 C ATOM 0 H PHE A 49 -8.246 -6.401 3.578 1.00 0.26 H new ATOM 0 HA PHE A 49 -6.293 -4.465 2.709 1.00 0.28 H new ATOM 0 HB2 PHE A 49 -8.319 -4.525 4.994 1.00 0.40 H new ATOM 0 HB3 PHE A 49 -7.363 -3.111 4.593 1.00 0.40 H new ATOM 0 HD1 PHE A 49 -7.354 -2.531 1.943 1.00 0.40 H new ATOM 0 HD2 PHE A 49 -10.431 -4.719 3.994 1.00 0.22 H new ATOM 0 HE1 PHE A 49 -8.964 -1.950 0.150 1.00 0.45 H new ATOM 0 HE2 PHE A 49 -12.039 -4.140 2.199 1.00 0.21 H new ATOM 0 HZ PHE A 49 -11.308 -2.753 0.279 1.00 0.37 H new ATOM 768 N CYS A 50 -5.803 -5.960 5.606 1.00 0.23 N ATOM 769 CA CYS A 50 -4.760 -6.173 6.649 1.00 0.17 C ATOM 770 C CYS A 50 -3.511 -6.779 6.006 1.00 0.12 C ATOM 771 O CYS A 50 -2.438 -6.212 6.058 1.00 0.09 O ATOM 772 CB CYS A 50 -5.295 -7.128 7.718 1.00 0.26 C ATOM 773 SG CYS A 50 -3.913 -7.783 8.686 1.00 0.36 S ATOM 0 H CYS A 50 -6.645 -6.526 5.711 1.00 0.23 H new ATOM 0 HA CYS A 50 -4.506 -5.218 7.108 1.00 0.17 H new ATOM 0 HB2 CYS A 50 -5.995 -6.606 8.370 1.00 0.26 H new ATOM 0 HB3 CYS A 50 -5.844 -7.945 7.250 1.00 0.26 H new ATOM 778 N ARG A 51 -3.642 -7.928 5.400 1.00 0.16 N ATOM 779 CA ARG A 51 -2.463 -8.569 4.755 1.00 0.18 C ATOM 780 C ARG A 51 -1.734 -7.540 3.887 1.00 0.19 C ATOM 781 O ARG A 51 -0.523 -7.446 3.903 1.00 0.19 O ATOM 782 CB ARG A 51 -2.931 -9.735 3.881 1.00 0.26 C ATOM 783 CG ARG A 51 -3.702 -10.737 4.742 1.00 0.46 C ATOM 784 CD ARG A 51 -3.473 -12.152 4.207 1.00 0.44 C ATOM 785 NE ARG A 51 -3.510 -12.132 2.717 1.00 1.03 N ATOM 786 CZ ARG A 51 -3.052 -13.148 2.038 1.00 1.30 C ATOM 787 NH1 ARG A 51 -2.559 -14.181 2.664 1.00 1.65 N ATOM 788 NH2 ARG A 51 -3.086 -13.130 0.735 1.00 2.42 N ATOM 0 H ARG A 51 -4.515 -8.450 5.324 1.00 0.16 H new ATOM 0 HA ARG A 51 -1.785 -8.941 5.524 1.00 0.18 H new ATOM 0 HB2 ARG A 51 -3.566 -9.368 3.074 1.00 0.26 H new ATOM 0 HB3 ARG A 51 -2.074 -10.222 3.416 1.00 0.26 H new ATOM 0 HG2 ARG A 51 -3.372 -10.671 5.779 1.00 0.46 H new ATOM 0 HG3 ARG A 51 -4.766 -10.500 4.730 1.00 0.46 H new ATOM 0 HD2 ARG A 51 -2.511 -12.532 4.552 1.00 0.44 H new ATOM 0 HD3 ARG A 51 -4.239 -12.826 4.591 1.00 0.44 H new ATOM 0 HE ARG A 51 -3.894 -11.323 2.228 1.00 1.03 H new ATOM 0 HH11 ARG A 51 -2.532 -14.194 3.684 1.00 1.65 H new ATOM 0 HH12 ARG A 51 -2.201 -14.975 2.134 1.00 1.65 H new ATOM 0 HH21 ARG A 51 -3.471 -12.322 0.246 1.00 2.42 H new ATOM 0 HH22 ARG A 51 -2.728 -13.924 0.204 1.00 2.42 H new ATOM 802 N ALA A 52 -2.463 -6.765 3.132 1.00 0.21 N ATOM 803 CA ALA A 52 -1.813 -5.742 2.266 1.00 0.24 C ATOM 804 C ALA A 52 -0.997 -4.784 3.137 1.00 0.22 C ATOM 805 O ALA A 52 0.146 -4.490 2.850 1.00 0.24 O ATOM 806 CB ALA A 52 -2.885 -4.957 1.510 1.00 0.26 C ATOM 0 H ALA A 52 -3.481 -6.796 3.078 1.00 0.21 H new ATOM 0 HA ALA A 52 -1.154 -6.235 1.551 1.00 0.24 H new ATOM 0 HB1 ALA A 52 -2.409 -4.209 0.876 1.00 0.26 H new ATOM 0 HB2 ALA A 52 -3.467 -5.640 0.891 1.00 0.26 H new ATOM 0 HB3 ALA A 52 -3.545 -4.462 2.223 1.00 0.26 H new ATOM 812 N ALA A 53 -1.577 -4.296 4.199 1.00 0.18 N ATOM 813 CA ALA A 53 -0.834 -3.358 5.087 1.00 0.18 C ATOM 814 C ALA A 53 0.369 -4.079 5.699 1.00 0.17 C ATOM 815 O ALA A 53 1.444 -3.526 5.812 1.00 0.15 O ATOM 816 CB ALA A 53 -1.760 -2.872 6.205 1.00 0.15 C ATOM 0 H ALA A 53 -2.532 -4.506 4.490 1.00 0.18 H new ATOM 0 HA ALA A 53 -0.488 -2.504 4.504 1.00 0.18 H new ATOM 0 HB1 ALA A 53 -1.217 -2.186 6.855 1.00 0.15 H new ATOM 0 HB2 ALA A 53 -2.617 -2.358 5.770 1.00 0.15 H new ATOM 0 HB3 ALA A 53 -2.106 -3.726 6.787 1.00 0.15 H new ATOM 822 N THR A 54 0.197 -5.311 6.092 1.00 0.18 N ATOM 823 CA THR A 54 1.332 -6.065 6.693 1.00 0.17 C ATOM 824 C THR A 54 2.558 -5.938 5.789 1.00 0.15 C ATOM 825 O THR A 54 3.651 -5.657 6.242 1.00 0.14 O ATOM 826 CB THR A 54 0.949 -7.541 6.831 1.00 0.18 C ATOM 827 OG1 THR A 54 -0.313 -7.643 7.474 1.00 0.24 O ATOM 828 CG2 THR A 54 2.008 -8.269 7.660 1.00 0.16 C ATOM 0 H THR A 54 -0.680 -5.827 6.023 1.00 0.18 H new ATOM 0 HA THR A 54 1.561 -5.657 7.678 1.00 0.17 H new ATOM 0 HB THR A 54 0.890 -7.996 5.842 1.00 0.18 H new ATOM 0 HG1 THR A 54 -0.560 -8.587 7.561 1.00 0.24 H new ATOM 0 HG21 THR A 54 1.735 -9.320 7.758 1.00 0.16 H new ATOM 0 HG22 THR A 54 2.976 -8.190 7.164 1.00 0.16 H new ATOM 0 HG23 THR A 54 2.070 -7.817 8.650 1.00 0.16 H new ATOM 836 N VAL A 55 2.386 -6.139 4.511 1.00 0.15 N ATOM 837 CA VAL A 55 3.541 -6.027 3.577 1.00 0.13 C ATOM 838 C VAL A 55 4.085 -4.597 3.615 1.00 0.13 C ATOM 839 O VAL A 55 5.230 -4.366 3.948 1.00 0.13 O ATOM 840 CB VAL A 55 3.082 -6.360 2.156 1.00 0.13 C ATOM 841 CG1 VAL A 55 4.288 -6.352 1.214 1.00 0.16 C ATOM 842 CG2 VAL A 55 2.436 -7.747 2.143 1.00 0.16 C ATOM 0 H VAL A 55 1.495 -6.376 4.074 1.00 0.15 H new ATOM 0 HA VAL A 55 4.323 -6.724 3.878 1.00 0.13 H new ATOM 0 HB VAL A 55 2.357 -5.616 1.824 1.00 0.13 H new ATOM 0 HG11 VAL A 55 3.961 -6.589 0.202 1.00 0.16 H new ATOM 0 HG12 VAL A 55 4.751 -5.365 1.224 1.00 0.16 H new ATOM 0 HG13 VAL A 55 5.013 -7.096 1.545 1.00 0.16 H new ATOM 0 HG21 VAL A 55 2.108 -7.986 1.131 1.00 0.16 H new ATOM 0 HG22 VAL A 55 3.162 -8.490 2.474 1.00 0.16 H new ATOM 0 HG23 VAL A 55 1.577 -7.755 2.814 1.00 0.16 H new ATOM 852 N LEU A 56 3.273 -3.634 3.279 1.00 0.13 N ATOM 853 CA LEU A 56 3.746 -2.224 3.300 1.00 0.13 C ATOM 854 C LEU A 56 4.463 -1.950 4.624 1.00 0.13 C ATOM 855 O LEU A 56 5.374 -1.151 4.695 1.00 0.13 O ATOM 856 CB LEU A 56 2.549 -1.280 3.163 1.00 0.15 C ATOM 857 CG LEU A 56 1.741 -1.653 1.919 1.00 0.26 C ATOM 858 CD1 LEU A 56 0.538 -0.716 1.791 1.00 0.20 C ATOM 859 CD2 LEU A 56 2.623 -1.521 0.676 1.00 0.36 C ATOM 0 H LEU A 56 2.303 -3.763 2.991 1.00 0.13 H new ATOM 0 HA LEU A 56 4.434 -2.058 2.471 1.00 0.13 H new ATOM 0 HB2 LEU A 56 1.919 -1.344 4.050 1.00 0.15 H new ATOM 0 HB3 LEU A 56 2.893 -0.248 3.090 1.00 0.15 H new ATOM 0 HG LEU A 56 1.393 -2.682 2.009 1.00 0.26 H new ATOM 0 HD11 LEU A 56 -0.038 -0.982 0.904 1.00 0.20 H new ATOM 0 HD12 LEU A 56 -0.093 -0.811 2.675 1.00 0.20 H new ATOM 0 HD13 LEU A 56 0.886 0.313 1.702 1.00 0.20 H new ATOM 0 HD21 LEU A 56 2.046 -1.787 -0.210 1.00 0.36 H new ATOM 0 HD22 LEU A 56 2.973 -0.493 0.586 1.00 0.36 H new ATOM 0 HD23 LEU A 56 3.480 -2.189 0.765 1.00 0.36 H new ATOM 871 N ARG A 57 4.058 -2.608 5.675 1.00 0.14 N ATOM 872 CA ARG A 57 4.715 -2.385 6.993 1.00 0.14 C ATOM 873 C ARG A 57 6.184 -2.812 6.916 1.00 0.13 C ATOM 874 O ARG A 57 7.082 -1.996 6.977 1.00 0.15 O ATOM 875 CB ARG A 57 4.000 -3.209 8.065 1.00 0.16 C ATOM 876 CG ARG A 57 4.256 -2.590 9.441 1.00 0.26 C ATOM 877 CD ARG A 57 3.545 -3.417 10.514 1.00 0.21 C ATOM 878 NE ARG A 57 4.511 -3.759 11.596 1.00 1.10 N ATOM 879 CZ ARG A 57 4.073 -4.197 12.745 1.00 1.19 C ATOM 880 NH1 ARG A 57 2.791 -4.333 12.947 1.00 0.57 N ATOM 881 NH2 ARG A 57 4.918 -4.496 13.694 1.00 2.05 N ATOM 0 H ARG A 57 3.300 -3.291 5.678 1.00 0.14 H new ATOM 0 HA ARG A 57 4.660 -1.327 7.249 1.00 0.14 H new ATOM 0 HB2 ARG A 57 2.930 -3.239 7.862 1.00 0.16 H new ATOM 0 HB3 ARG A 57 4.357 -4.239 8.046 1.00 0.16 H new ATOM 0 HG2 ARG A 57 5.327 -2.557 9.643 1.00 0.26 H new ATOM 0 HG3 ARG A 57 3.896 -1.562 9.461 1.00 0.26 H new ATOM 0 HD2 ARG A 57 2.706 -2.856 10.925 1.00 0.21 H new ATOM 0 HD3 ARG A 57 3.136 -4.327 10.076 1.00 0.21 H new ATOM 0 HE ARG A 57 5.513 -3.651 11.439 1.00 1.10 H new ATOM 0 HH11 ARG A 57 2.130 -4.097 12.207 1.00 0.57 H new ATOM 0 HH12 ARG A 57 2.450 -4.675 13.845 1.00 0.57 H new ATOM 0 HH21 ARG A 57 5.920 -4.387 13.538 1.00 2.05 H new ATOM 0 HH22 ARG A 57 4.576 -4.838 14.592 1.00 2.05 H new ATOM 895 N GLN A 58 6.436 -4.087 6.789 1.00 0.12 N ATOM 896 CA GLN A 58 7.847 -4.562 6.716 1.00 0.10 C ATOM 897 C GLN A 58 8.528 -3.977 5.474 1.00 0.13 C ATOM 898 O GLN A 58 9.694 -4.216 5.226 1.00 0.15 O ATOM 899 CB GLN A 58 7.869 -6.092 6.644 1.00 0.10 C ATOM 900 CG GLN A 58 7.538 -6.552 5.222 1.00 0.46 C ATOM 901 CD GLN A 58 8.823 -6.627 4.395 1.00 1.83 C ATOM 902 OE1 GLN A 58 9.053 -5.805 3.530 1.00 3.15 O ATOM 903 NE2 GLN A 58 9.678 -7.585 4.626 1.00 2.15 N ATOM 0 H GLN A 58 5.727 -4.818 6.733 1.00 0.12 H new ATOM 0 HA GLN A 58 8.384 -4.234 7.606 1.00 0.10 H new ATOM 0 HB2 GLN A 58 8.851 -6.464 6.937 1.00 0.10 H new ATOM 0 HB3 GLN A 58 7.148 -6.508 7.347 1.00 0.10 H new ATOM 0 HG2 GLN A 58 7.053 -7.528 5.248 1.00 0.46 H new ATOM 0 HG3 GLN A 58 6.835 -5.859 4.759 1.00 0.46 H new ATOM 0 HE21 GLN A 58 9.486 -8.276 5.352 1.00 2.15 H new ATOM 0 HE22 GLN A 58 10.538 -7.643 4.081 1.00 2.15 H new ATOM 912 N PHE A 59 7.813 -3.217 4.691 1.00 0.13 N ATOM 913 CA PHE A 59 8.427 -2.626 3.467 1.00 0.16 C ATOM 914 C PHE A 59 9.145 -1.322 3.824 1.00 0.17 C ATOM 915 O PHE A 59 10.359 -1.263 3.865 1.00 0.16 O ATOM 916 CB PHE A 59 7.340 -2.339 2.432 1.00 0.18 C ATOM 917 CG PHE A 59 7.984 -1.896 1.139 1.00 0.20 C ATOM 918 CD1 PHE A 59 8.518 -2.848 0.262 1.00 0.15 C ATOM 919 CD2 PHE A 59 8.046 -0.535 0.818 1.00 0.28 C ATOM 920 CE1 PHE A 59 9.117 -2.438 -0.936 1.00 0.16 C ATOM 921 CE2 PHE A 59 8.644 -0.125 -0.380 1.00 0.30 C ATOM 922 CZ PHE A 59 9.179 -1.076 -1.257 1.00 0.24 C ATOM 0 H PHE A 59 6.833 -2.980 4.844 1.00 0.13 H new ATOM 0 HA PHE A 59 9.146 -3.333 3.053 1.00 0.16 H new ATOM 0 HB2 PHE A 59 6.737 -3.232 2.264 1.00 0.18 H new ATOM 0 HB3 PHE A 59 6.667 -1.565 2.800 1.00 0.18 H new ATOM 0 HD1 PHE A 59 8.468 -3.898 0.509 1.00 0.15 H new ATOM 0 HD2 PHE A 59 7.633 0.199 1.494 1.00 0.28 H new ATOM 0 HE1 PHE A 59 9.531 -3.172 -1.612 1.00 0.16 H new ATOM 0 HE2 PHE A 59 8.692 0.925 -0.627 1.00 0.30 H new ATOM 0 HZ PHE A 59 9.640 -0.759 -2.181 1.00 0.24 H new ATOM 932 N TYR A 60 8.409 -0.271 4.072 1.00 0.18 N ATOM 933 CA TYR A 60 9.057 1.028 4.413 1.00 0.19 C ATOM 934 C TYR A 60 9.634 0.968 5.829 1.00 0.18 C ATOM 935 O TYR A 60 10.267 1.897 6.288 1.00 0.19 O ATOM 936 CB TYR A 60 8.027 2.158 4.327 1.00 0.21 C ATOM 937 CG TYR A 60 6.981 1.979 5.403 1.00 0.18 C ATOM 938 CD1 TYR A 60 7.248 2.380 6.718 1.00 0.18 C ATOM 939 CD2 TYR A 60 5.742 1.413 5.083 1.00 0.16 C ATOM 940 CE1 TYR A 60 6.277 2.212 7.712 1.00 0.16 C ATOM 941 CE2 TYR A 60 4.770 1.246 6.077 1.00 0.13 C ATOM 942 CZ TYR A 60 5.038 1.645 7.392 1.00 0.13 C ATOM 943 OH TYR A 60 4.081 1.480 8.372 1.00 0.13 O ATOM 0 H TYR A 60 7.389 -0.256 4.053 1.00 0.18 H new ATOM 0 HA TYR A 60 9.864 1.219 3.705 1.00 0.19 H new ATOM 0 HB2 TYR A 60 8.521 3.123 4.444 1.00 0.21 H new ATOM 0 HB3 TYR A 60 7.555 2.159 3.344 1.00 0.21 H new ATOM 0 HD1 TYR A 60 8.203 2.819 6.965 1.00 0.18 H new ATOM 0 HD2 TYR A 60 5.535 1.105 4.069 1.00 0.16 H new ATOM 0 HE1 TYR A 60 6.484 2.520 8.726 1.00 0.16 H new ATOM 0 HE2 TYR A 60 3.814 0.809 5.829 1.00 0.13 H new ATOM 0 HH TYR A 60 3.364 2.136 8.243 1.00 0.13 H new ATOM 953 N SER A 61 9.422 -0.113 6.527 1.00 0.16 N ATOM 954 CA SER A 61 9.963 -0.217 7.912 1.00 0.15 C ATOM 955 C SER A 61 11.378 -0.799 7.864 1.00 0.13 C ATOM 956 O SER A 61 12.263 -0.361 8.572 1.00 0.14 O ATOM 957 CB SER A 61 9.064 -1.128 8.746 1.00 0.13 C ATOM 958 OG SER A 61 7.747 -0.594 8.769 1.00 0.16 O ATOM 0 H SER A 61 8.900 -0.926 6.200 1.00 0.16 H new ATOM 0 HA SER A 61 9.993 0.774 8.365 1.00 0.15 H new ATOM 0 HB2 SER A 61 9.054 -2.133 8.325 1.00 0.13 H new ATOM 0 HB3 SER A 61 9.453 -1.212 9.761 1.00 0.13 H new ATOM 0 HG SER A 61 7.250 -0.917 7.989 1.00 0.16 H new ATOM 964 N HIS A 62 11.598 -1.783 7.036 1.00 0.11 N ATOM 965 CA HIS A 62 12.956 -2.391 6.945 1.00 0.11 C ATOM 966 C HIS A 62 13.777 -1.661 5.881 1.00 0.12 C ATOM 967 O HIS A 62 14.866 -1.188 6.141 1.00 0.39 O ATOM 968 CB HIS A 62 12.827 -3.867 6.565 1.00 0.09 C ATOM 969 CG HIS A 62 13.167 -4.724 7.754 1.00 0.68 C ATOM 970 ND1 HIS A 62 14.469 -5.098 8.047 1.00 2.33 N ATOM 971 CD2 HIS A 62 12.385 -5.287 8.733 1.00 0.36 C ATOM 972 CE1 HIS A 62 14.433 -5.851 9.161 1.00 2.52 C ATOM 973 NE2 HIS A 62 13.187 -5.998 9.620 1.00 1.16 N ATOM 0 H HIS A 62 10.897 -2.192 6.419 1.00 0.11 H new ATOM 0 HA HIS A 62 13.457 -2.304 7.909 1.00 0.11 H new ATOM 0 HB2 HIS A 62 11.812 -4.079 6.229 1.00 0.09 H new ATOM 0 HB3 HIS A 62 13.493 -4.099 5.734 1.00 0.09 H new ATOM 0 HD2 HIS A 62 11.311 -5.192 8.803 1.00 0.36 H new ATOM 0 HE1 HIS A 62 15.305 -6.284 9.628 1.00 2.52 H new ATOM 0 HE2 HIS A 62 12.888 -6.520 10.444 1.00 1.16 H new ATOM 981 N HIS A 63 13.268 -1.569 4.683 1.00 0.41 N ATOM 982 CA HIS A 63 14.022 -0.875 3.601 1.00 0.43 C ATOM 983 C HIS A 63 14.441 0.519 4.075 1.00 0.44 C ATOM 984 O HIS A 63 15.585 0.908 3.952 1.00 0.44 O ATOM 985 CB HIS A 63 13.133 -0.747 2.364 1.00 0.46 C ATOM 986 CG HIS A 63 12.937 -2.104 1.746 1.00 0.48 C ATOM 987 ND1 HIS A 63 14.003 -2.902 1.360 1.00 0.53 N ATOM 988 CD2 HIS A 63 11.805 -2.819 1.442 1.00 0.51 C ATOM 989 CE1 HIS A 63 13.495 -4.039 0.850 1.00 0.55 C ATOM 990 NE2 HIS A 63 12.160 -4.041 0.877 1.00 0.53 N ATOM 0 H HIS A 63 12.361 -1.945 4.406 1.00 0.41 H new ATOM 0 HA HIS A 63 14.912 -1.453 3.353 1.00 0.43 H new ATOM 0 HB2 HIS A 63 12.169 -0.318 2.638 1.00 0.46 H new ATOM 0 HB3 HIS A 63 13.590 -0.070 1.643 1.00 0.46 H new ATOM 0 HD2 HIS A 63 10.793 -2.484 1.615 1.00 0.51 H new ATOM 0 HE1 HIS A 63 14.094 -4.851 0.466 1.00 0.55 H new ATOM 0 HE2 HIS A 63 11.535 -4.779 0.553 1.00 0.53 H new ATOM 998 N GLU A 64 13.524 1.277 4.612 1.00 0.45 N ATOM 999 CA GLU A 64 13.874 2.646 5.088 1.00 0.46 C ATOM 1000 C GLU A 64 15.155 2.586 5.922 1.00 0.45 C ATOM 1001 O GLU A 64 15.821 3.582 6.126 1.00 0.35 O ATOM 1002 CB GLU A 64 12.733 3.197 5.944 1.00 0.46 C ATOM 1003 CG GLU A 64 13.156 4.532 6.560 1.00 0.47 C ATOM 1004 CD GLU A 64 13.754 4.289 7.947 1.00 1.24 C ATOM 1005 OE1 GLU A 64 13.032 3.806 8.805 1.00 1.43 O ATOM 1006 OE2 GLU A 64 14.922 4.588 8.128 1.00 2.36 O ATOM 0 H GLU A 64 12.549 1.008 4.742 1.00 0.45 H new ATOM 0 HA GLU A 64 14.031 3.299 4.229 1.00 0.46 H new ATOM 0 HB2 GLU A 64 11.840 3.332 5.334 1.00 0.46 H new ATOM 0 HB3 GLU A 64 12.478 2.486 6.730 1.00 0.46 H new ATOM 0 HG2 GLU A 64 13.887 5.025 5.919 1.00 0.47 H new ATOM 0 HG3 GLU A 64 12.297 5.198 6.635 1.00 0.47 H new ATOM 1013 N LYS A 65 15.507 1.427 6.408 1.00 0.57 N ATOM 1014 CA LYS A 65 16.745 1.307 7.228 1.00 0.56 C ATOM 1015 C LYS A 65 17.922 0.932 6.325 1.00 0.55 C ATOM 1016 O LYS A 65 19.059 1.257 6.604 1.00 0.52 O ATOM 1017 CB LYS A 65 16.551 0.224 8.292 1.00 0.64 C ATOM 1018 CG LYS A 65 15.276 0.511 9.086 1.00 0.91 C ATOM 1019 CD LYS A 65 15.052 -0.600 10.113 1.00 1.38 C ATOM 1020 CE LYS A 65 13.840 -0.256 10.981 1.00 1.38 C ATOM 1021 NZ LYS A 65 12.911 -1.422 11.020 1.00 2.84 N ATOM 0 H LYS A 65 14.990 0.558 6.272 1.00 0.57 H new ATOM 0 HA LYS A 65 16.951 2.260 7.715 1.00 0.56 H new ATOM 0 HB2 LYS A 65 16.485 -0.756 7.820 1.00 0.64 H new ATOM 0 HB3 LYS A 65 17.411 0.199 8.961 1.00 0.64 H new ATOM 0 HG2 LYS A 65 15.358 1.474 9.589 1.00 0.91 H new ATOM 0 HG3 LYS A 65 14.422 0.575 8.412 1.00 0.91 H new ATOM 0 HD2 LYS A 65 14.891 -1.551 9.606 1.00 1.38 H new ATOM 0 HD3 LYS A 65 15.938 -0.717 10.737 1.00 1.38 H new ATOM 0 HE2 LYS A 65 14.163 -0.000 11.990 1.00 1.38 H new ATOM 0 HE3 LYS A 65 13.327 0.618 10.579 1.00 1.38 H new ATOM 0 HZ1 LYS A 65 12.272 -1.329 11.835 1.00 2.84 H new ATOM 0 HZ2 LYS A 65 12.352 -1.450 10.143 1.00 2.84 H new ATOM 0 HZ3 LYS A 65 13.460 -2.301 11.109 1.00 2.84 H new ATOM 1035 N ASP A 66 17.659 0.250 5.244 1.00 0.59 N ATOM 1036 CA ASP A 66 18.763 -0.144 4.324 1.00 0.61 C ATOM 1037 C ASP A 66 19.315 1.102 3.627 1.00 0.46 C ATOM 1038 O ASP A 66 18.574 1.960 3.191 1.00 0.50 O ATOM 1039 CB ASP A 66 18.229 -1.121 3.275 1.00 0.81 C ATOM 1040 CG ASP A 66 19.377 -1.987 2.752 1.00 1.36 C ATOM 1041 OD1 ASP A 66 20.502 -1.515 2.765 1.00 1.99 O ATOM 1042 OD2 ASP A 66 19.111 -3.106 2.348 1.00 1.80 O ATOM 0 H ASP A 66 16.727 -0.051 4.958 1.00 0.59 H new ATOM 0 HA ASP A 66 19.558 -0.623 4.895 1.00 0.61 H new ATOM 0 HB2 ASP A 66 17.454 -1.751 3.711 1.00 0.81 H new ATOM 0 HB3 ASP A 66 17.769 -0.573 2.453 1.00 0.81 H new ATOM 1047 N THR A 67 20.611 1.207 3.519 1.00 0.35 N ATOM 1048 CA THR A 67 21.209 2.397 2.851 1.00 0.43 C ATOM 1049 C THR A 67 21.101 2.239 1.333 1.00 0.65 C ATOM 1050 O THR A 67 21.923 2.736 0.588 1.00 0.89 O ATOM 1051 CB THR A 67 22.682 2.518 3.248 1.00 0.38 C ATOM 1052 OG1 THR A 67 23.344 1.288 2.987 1.00 0.44 O ATOM 1053 CG2 THR A 67 22.787 2.852 4.736 1.00 0.62 C ATOM 0 H THR A 67 21.281 0.520 3.864 1.00 0.35 H new ATOM 0 HA THR A 67 20.674 3.295 3.161 1.00 0.43 H new ATOM 0 HB THR A 67 23.150 3.313 2.668 1.00 0.38 H new ATOM 0 HG1 THR A 67 24.288 1.365 3.239 1.00 0.44 H new ATOM 0 HG21 THR A 67 23.837 2.938 5.016 1.00 0.62 H new ATOM 0 HG22 THR A 67 22.280 3.797 4.933 1.00 0.62 H new ATOM 0 HG23 THR A 67 22.319 2.060 5.321 1.00 0.62 H new ATOM 1061 N ARG A 68 20.093 1.553 0.869 1.00 0.64 N ATOM 1062 CA ARG A 68 19.933 1.363 -0.601 1.00 0.86 C ATOM 1063 C ARG A 68 19.020 2.458 -1.159 1.00 0.76 C ATOM 1064 O ARG A 68 19.452 3.326 -1.891 1.00 1.14 O ATOM 1065 CB ARG A 68 19.311 -0.007 -0.873 1.00 1.00 C ATOM 1066 CG ARG A 68 20.302 -1.105 -0.485 1.00 1.22 C ATOM 1067 CD ARG A 68 20.775 -1.837 -1.742 1.00 1.68 C ATOM 1068 NE ARG A 68 21.355 -0.853 -2.700 1.00 3.12 N ATOM 1069 CZ ARG A 68 22.085 -1.269 -3.700 1.00 3.73 C ATOM 1070 NH1 ARG A 68 22.306 -2.545 -3.859 1.00 3.13 N ATOM 1071 NH2 ARG A 68 22.593 -0.408 -4.538 1.00 5.13 N ATOM 0 H ARG A 68 19.373 1.116 1.444 1.00 0.64 H new ATOM 0 HA ARG A 68 20.908 1.421 -1.084 1.00 0.86 H new ATOM 0 HB2 ARG A 68 18.388 -0.118 -0.304 1.00 1.00 H new ATOM 0 HB3 ARG A 68 19.048 -0.096 -1.927 1.00 1.00 H new ATOM 0 HG2 ARG A 68 21.154 -0.671 0.038 1.00 1.22 H new ATOM 0 HG3 ARG A 68 19.831 -1.808 0.202 1.00 1.22 H new ATOM 0 HD2 ARG A 68 21.520 -2.588 -1.480 1.00 1.68 H new ATOM 0 HD3 ARG A 68 19.941 -2.364 -2.205 1.00 1.68 H new ATOM 0 HE ARG A 68 21.182 0.144 -2.575 1.00 3.12 H new ATOM 0 HH11 ARG A 68 21.909 -3.217 -3.203 1.00 3.13 H new ATOM 0 HH12 ARG A 68 22.876 -2.870 -4.640 1.00 3.13 H new ATOM 0 HH21 ARG A 68 22.420 0.589 -4.412 1.00 5.13 H new ATOM 0 HH22 ARG A 68 23.163 -0.732 -5.319 1.00 5.13 H new ATOM 1085 N CYS A 69 17.761 2.422 -0.820 1.00 0.35 N ATOM 1086 CA CYS A 69 16.822 3.460 -1.332 1.00 0.31 C ATOM 1087 C CYS A 69 17.216 4.827 -0.769 1.00 0.35 C ATOM 1088 O CYS A 69 16.582 5.827 -1.041 1.00 0.38 O ATOM 1089 CB CYS A 69 15.396 3.117 -0.894 1.00 0.34 C ATOM 1090 SG CYS A 69 15.008 1.419 -1.387 1.00 0.20 S ATOM 0 H CYS A 69 17.342 1.719 -0.211 1.00 0.35 H new ATOM 0 HA CYS A 69 16.870 3.490 -2.421 1.00 0.31 H new ATOM 0 HB2 CYS A 69 15.300 3.225 0.186 1.00 0.34 H new ATOM 0 HB3 CYS A 69 14.688 3.810 -1.348 1.00 0.34 H new ATOM 1095 N LEU A 70 18.261 4.880 0.011 1.00 0.35 N ATOM 1096 CA LEU A 70 18.697 6.183 0.589 1.00 0.40 C ATOM 1097 C LEU A 70 19.745 6.818 -0.328 1.00 0.48 C ATOM 1098 O LEU A 70 19.625 7.960 -0.726 1.00 0.52 O ATOM 1099 CB LEU A 70 19.306 5.952 1.974 1.00 0.45 C ATOM 1100 CG LEU A 70 18.297 5.225 2.866 1.00 0.41 C ATOM 1101 CD1 LEU A 70 18.921 4.968 4.239 1.00 0.44 C ATOM 1102 CD2 LEU A 70 17.042 6.088 3.034 1.00 0.96 C ATOM 0 H LEU A 70 18.832 4.077 0.273 1.00 0.35 H new ATOM 0 HA LEU A 70 17.837 6.847 0.678 1.00 0.40 H new ATOM 0 HB2 LEU A 70 20.219 5.363 1.887 1.00 0.45 H new ATOM 0 HB3 LEU A 70 19.583 6.905 2.424 1.00 0.45 H new ATOM 0 HG LEU A 70 18.026 4.276 2.403 1.00 0.41 H new ATOM 0 HD11 LEU A 70 18.202 4.450 4.874 1.00 0.44 H new ATOM 0 HD12 LEU A 70 19.813 4.352 4.124 1.00 0.44 H new ATOM 0 HD13 LEU A 70 19.193 5.918 4.699 1.00 0.44 H new ATOM 0 HD21 LEU A 70 16.325 5.568 3.670 1.00 0.96 H new ATOM 0 HD22 LEU A 70 17.313 7.038 3.494 1.00 0.96 H new ATOM 0 HD23 LEU A 70 16.594 6.273 2.058 1.00 0.96 H new ATOM 1114 N GLY A 71 20.773 6.088 -0.666 1.00 0.54 N ATOM 1115 CA GLY A 71 21.827 6.651 -1.557 1.00 0.64 C ATOM 1116 C GLY A 71 22.739 7.576 -0.750 1.00 0.76 C ATOM 1117 O GLY A 71 23.065 7.303 0.388 1.00 0.78 O ATOM 0 H GLY A 71 20.928 5.126 -0.364 1.00 0.54 H new ATOM 0 HA2 GLY A 71 22.411 5.845 -2.001 1.00 0.64 H new ATOM 0 HA3 GLY A 71 21.368 7.202 -2.378 1.00 0.64 H new ATOM 1121 N ALA A 72 23.153 8.669 -1.331 1.00 0.86 N ATOM 1122 CA ALA A 72 24.044 9.611 -0.598 1.00 1.01 C ATOM 1123 C ALA A 72 23.745 11.044 -1.041 1.00 1.05 C ATOM 1124 O ALA A 72 23.792 11.971 -0.255 1.00 1.24 O ATOM 1125 CB ALA A 72 25.505 9.276 -0.906 1.00 1.15 C ATOM 0 H ALA A 72 22.912 8.950 -2.282 1.00 0.86 H new ATOM 0 HA ALA A 72 23.868 9.518 0.474 1.00 1.01 H new ATOM 0 HB1 ALA A 72 26.157 9.965 -0.370 1.00 1.15 H new ATOM 0 HB2 ALA A 72 25.718 8.255 -0.590 1.00 1.15 H new ATOM 0 HB3 ALA A 72 25.682 9.369 -1.978 1.00 1.15 H new ATOM 1131 N THR A 73 23.439 11.235 -2.294 1.00 0.92 N ATOM 1132 CA THR A 73 23.138 12.609 -2.787 1.00 0.94 C ATOM 1133 C THR A 73 21.974 13.195 -1.984 1.00 0.76 C ATOM 1134 O THR A 73 21.074 12.490 -1.572 1.00 0.60 O ATOM 1135 CB THR A 73 22.755 12.548 -4.268 1.00 0.91 C ATOM 1136 OG1 THR A 73 21.544 11.820 -4.412 1.00 1.15 O ATOM 1137 CG2 THR A 73 23.867 11.855 -5.056 1.00 1.10 C ATOM 0 H THR A 73 23.384 10.499 -2.998 1.00 0.92 H new ATOM 0 HA THR A 73 24.019 13.239 -2.665 1.00 0.94 H new ATOM 0 HB THR A 73 22.619 13.559 -4.651 1.00 0.91 H new ATOM 0 HG1 THR A 73 21.379 11.643 -5.362 1.00 1.15 H new ATOM 0 HG21 THR A 73 23.593 11.812 -6.110 1.00 1.10 H new ATOM 0 HG22 THR A 73 24.795 12.415 -4.945 1.00 1.10 H new ATOM 0 HG23 THR A 73 24.006 10.843 -4.676 1.00 1.10 H new ATOM 1145 N ALA A 74 21.986 14.480 -1.756 1.00 1.06 N ATOM 1146 CA ALA A 74 20.881 15.108 -0.979 1.00 0.95 C ATOM 1147 C ALA A 74 19.632 15.209 -1.857 1.00 0.65 C ATOM 1148 O ALA A 74 18.543 15.453 -1.378 1.00 0.63 O ATOM 1149 CB ALA A 74 21.304 16.509 -0.531 1.00 1.26 C ATOM 0 H ALA A 74 22.713 15.121 -2.074 1.00 1.06 H new ATOM 0 HA ALA A 74 20.661 14.497 -0.103 1.00 0.95 H new ATOM 0 HB1 ALA A 74 20.496 16.969 0.038 1.00 1.26 H new ATOM 0 HB2 ALA A 74 22.193 16.438 0.095 1.00 1.26 H new ATOM 0 HB3 ALA A 74 21.525 17.120 -1.406 1.00 1.26 H new ATOM 1155 N GLN A 75 19.781 15.023 -3.140 1.00 0.59 N ATOM 1156 CA GLN A 75 18.602 15.110 -4.047 1.00 0.45 C ATOM 1157 C GLN A 75 17.862 13.771 -4.050 1.00 0.34 C ATOM 1158 O GLN A 75 16.647 13.720 -4.038 1.00 0.37 O ATOM 1159 CB GLN A 75 19.071 15.437 -5.465 1.00 0.79 C ATOM 1160 CG GLN A 75 19.744 14.207 -6.078 1.00 0.66 C ATOM 1161 CD GLN A 75 20.579 14.631 -7.287 1.00 0.80 C ATOM 1162 OE1 GLN A 75 21.775 14.413 -7.322 1.00 1.63 O ATOM 1163 NE2 GLN A 75 19.997 15.230 -8.290 1.00 0.73 N ATOM 0 H GLN A 75 20.668 14.815 -3.599 1.00 0.59 H new ATOM 0 HA GLN A 75 17.932 15.895 -3.697 1.00 0.45 H new ATOM 0 HB2 GLN A 75 18.223 15.744 -6.078 1.00 0.79 H new ATOM 0 HB3 GLN A 75 19.769 16.274 -5.444 1.00 0.79 H new ATOM 0 HG2 GLN A 75 20.378 13.720 -5.338 1.00 0.66 H new ATOM 0 HG3 GLN A 75 18.990 13.480 -6.380 1.00 0.66 H new ATOM 0 HE21 GLN A 75 18.994 15.413 -8.262 1.00 0.73 H new ATOM 0 HE22 GLN A 75 20.545 15.515 -9.102 1.00 0.73 H new ATOM 1172 N GLN A 76 18.584 12.683 -4.064 1.00 0.34 N ATOM 1173 CA GLN A 76 17.920 11.349 -4.069 1.00 0.41 C ATOM 1174 C GLN A 76 17.492 10.987 -2.645 1.00 0.35 C ATOM 1175 O GLN A 76 16.531 10.274 -2.437 1.00 0.51 O ATOM 1176 CB GLN A 76 18.898 10.294 -4.591 1.00 0.51 C ATOM 1177 CG GLN A 76 18.148 8.987 -4.851 1.00 0.37 C ATOM 1178 CD GLN A 76 19.150 7.881 -5.189 1.00 1.19 C ATOM 1179 OE1 GLN A 76 20.284 7.922 -4.756 1.00 2.18 O ATOM 1180 NE2 GLN A 76 18.777 6.888 -5.949 1.00 1.31 N ATOM 0 H GLN A 76 19.604 12.661 -4.072 1.00 0.34 H new ATOM 0 HA GLN A 76 17.043 11.382 -4.715 1.00 0.41 H new ATOM 0 HB2 GLN A 76 19.370 10.643 -5.509 1.00 0.51 H new ATOM 0 HB3 GLN A 76 19.694 10.130 -3.865 1.00 0.51 H new ATOM 0 HG2 GLN A 76 17.566 8.709 -3.973 1.00 0.37 H new ATOM 0 HG3 GLN A 76 17.443 9.117 -5.672 1.00 0.37 H new ATOM 0 HE21 GLN A 76 17.825 6.854 -6.313 1.00 1.31 H new ATOM 0 HE22 GLN A 76 19.438 6.146 -6.180 1.00 1.31 H new ATOM 1189 N PHE A 77 18.199 11.475 -1.662 1.00 0.25 N ATOM 1190 CA PHE A 77 17.832 11.160 -0.253 1.00 0.45 C ATOM 1191 C PHE A 77 16.471 11.780 0.069 1.00 0.41 C ATOM 1192 O PHE A 77 15.629 11.164 0.692 1.00 0.46 O ATOM 1193 CB PHE A 77 18.890 11.734 0.691 1.00 0.61 C ATOM 1194 CG PHE A 77 18.566 11.337 2.111 1.00 0.90 C ATOM 1195 CD1 PHE A 77 18.831 10.035 2.552 1.00 1.13 C ATOM 1196 CD2 PHE A 77 18.001 12.271 2.988 1.00 0.99 C ATOM 1197 CE1 PHE A 77 18.530 9.666 3.869 1.00 1.40 C ATOM 1198 CE2 PHE A 77 17.701 11.902 4.305 1.00 1.25 C ATOM 1199 CZ PHE A 77 17.966 10.600 4.745 1.00 1.45 C ATOM 0 H PHE A 77 19.014 12.078 -1.774 1.00 0.25 H new ATOM 0 HA PHE A 77 17.779 10.079 -0.124 1.00 0.45 H new ATOM 0 HB2 PHE A 77 19.878 11.365 0.415 1.00 0.61 H new ATOM 0 HB3 PHE A 77 18.920 12.820 0.604 1.00 0.61 H new ATOM 0 HD1 PHE A 77 19.268 9.315 1.876 1.00 1.13 H new ATOM 0 HD2 PHE A 77 17.797 13.276 2.649 1.00 0.99 H new ATOM 0 HE1 PHE A 77 18.733 8.661 4.208 1.00 1.40 H new ATOM 0 HE2 PHE A 77 17.265 12.622 4.981 1.00 1.25 H new ATOM 0 HZ PHE A 77 17.735 10.316 5.761 1.00 1.45 H new ATOM 1209 N HIS A 78 16.248 12.996 -0.350 1.00 0.33 N ATOM 1210 CA HIS A 78 14.941 13.654 -0.068 1.00 0.30 C ATOM 1211 C HIS A 78 13.853 13.016 -0.933 1.00 0.30 C ATOM 1212 O HIS A 78 12.819 12.605 -0.444 1.00 0.34 O ATOM 1213 CB HIS A 78 15.041 15.145 -0.391 1.00 0.26 C ATOM 1214 CG HIS A 78 13.711 15.802 -0.146 1.00 0.50 C ATOM 1215 ND1 HIS A 78 13.397 17.052 -0.658 1.00 0.95 N ATOM 1216 CD2 HIS A 78 12.603 15.397 0.556 1.00 0.52 C ATOM 1217 CE1 HIS A 78 12.147 17.350 -0.261 1.00 1.22 C ATOM 1218 NE2 HIS A 78 11.617 16.375 0.483 1.00 0.95 N ATOM 0 H HIS A 78 16.914 13.562 -0.875 1.00 0.33 H new ATOM 0 HA HIS A 78 14.689 13.527 0.985 1.00 0.30 H new ATOM 0 HB2 HIS A 78 15.808 15.611 0.227 1.00 0.26 H new ATOM 0 HB3 HIS A 78 15.341 15.284 -1.430 1.00 0.26 H new ATOM 0 HD2 HIS A 78 12.511 14.460 1.085 1.00 0.52 H new ATOM 0 HE1 HIS A 78 11.634 18.266 -0.513 1.00 1.22 H new ATOM 0 HE2 HIS A 78 10.689 16.353 0.906 1.00 0.95 H new ATOM 1226 N ARG A 79 14.077 12.927 -2.215 1.00 0.29 N ATOM 1227 CA ARG A 79 13.055 12.315 -3.110 1.00 0.38 C ATOM 1228 C ARG A 79 12.621 10.964 -2.539 1.00 0.46 C ATOM 1229 O ARG A 79 11.503 10.529 -2.728 1.00 0.52 O ATOM 1230 CB ARG A 79 13.654 12.110 -4.503 1.00 0.39 C ATOM 1231 CG ARG A 79 12.694 12.664 -5.559 1.00 0.69 C ATOM 1232 CD ARG A 79 13.221 12.330 -6.956 1.00 0.83 C ATOM 1233 NE ARG A 79 13.433 13.590 -7.723 1.00 1.33 N ATOM 1234 CZ ARG A 79 14.149 13.576 -8.814 1.00 1.64 C ATOM 1235 NH1 ARG A 79 14.678 12.459 -9.234 1.00 1.60 N ATOM 1236 NH2 ARG A 79 14.336 14.680 -9.485 1.00 2.11 N ATOM 0 H ARG A 79 14.924 13.252 -2.682 1.00 0.29 H new ATOM 0 HA ARG A 79 12.191 12.975 -3.179 1.00 0.38 H new ATOM 0 HB2 ARG A 79 14.618 12.613 -4.573 1.00 0.39 H new ATOM 0 HB3 ARG A 79 13.834 11.050 -4.681 1.00 0.39 H new ATOM 0 HG2 ARG A 79 11.701 12.237 -5.422 1.00 0.69 H new ATOM 0 HG3 ARG A 79 12.595 13.743 -5.445 1.00 0.69 H new ATOM 0 HD2 ARG A 79 14.157 11.776 -6.880 1.00 0.83 H new ATOM 0 HD3 ARG A 79 12.512 11.688 -7.479 1.00 0.83 H new ATOM 0 HE ARG A 79 13.019 14.463 -7.396 1.00 1.33 H new ATOM 0 HH11 ARG A 79 14.532 11.597 -8.709 1.00 1.60 H new ATOM 0 HH12 ARG A 79 15.238 12.449 -10.087 1.00 1.60 H new ATOM 0 HH21 ARG A 79 13.923 15.553 -9.156 1.00 2.11 H new ATOM 0 HH22 ARG A 79 14.895 14.670 -10.338 1.00 2.11 H new ATOM 1250 N HIS A 80 13.500 10.295 -1.844 1.00 0.50 N ATOM 1251 CA HIS A 80 13.139 8.971 -1.263 1.00 0.62 C ATOM 1252 C HIS A 80 12.364 9.178 0.040 1.00 0.55 C ATOM 1253 O HIS A 80 11.350 8.550 0.277 1.00 0.50 O ATOM 1254 CB HIS A 80 14.414 8.176 -0.976 1.00 0.78 C ATOM 1255 CG HIS A 80 14.099 7.045 -0.037 1.00 0.78 C ATOM 1256 ND1 HIS A 80 13.670 5.806 -0.491 1.00 0.83 N ATOM 1257 CD2 HIS A 80 14.143 6.948 1.331 1.00 0.76 C ATOM 1258 CE1 HIS A 80 13.475 5.026 0.587 1.00 0.83 C ATOM 1259 NE2 HIS A 80 13.749 5.672 1.724 1.00 0.78 N ATOM 0 H HIS A 80 14.452 10.608 -1.654 1.00 0.50 H new ATOM 0 HA HIS A 80 12.518 8.422 -1.971 1.00 0.62 H new ATOM 0 HB2 HIS A 80 14.829 7.786 -1.905 1.00 0.78 H new ATOM 0 HB3 HIS A 80 15.170 8.827 -0.537 1.00 0.78 H new ATOM 0 HD2 HIS A 80 14.439 7.741 2.001 1.00 0.76 H new ATOM 0 HE1 HIS A 80 13.138 4.001 0.539 1.00 0.83 H new ATOM 0 HE2 HIS A 80 13.684 5.309 2.675 1.00 0.78 H new ATOM 1267 N LYS A 81 12.831 10.053 0.888 1.00 0.55 N ATOM 1268 CA LYS A 81 12.119 10.297 2.175 1.00 0.51 C ATOM 1269 C LYS A 81 10.651 10.619 1.892 1.00 0.39 C ATOM 1270 O LYS A 81 9.755 10.045 2.479 1.00 0.41 O ATOM 1271 CB LYS A 81 12.769 11.475 2.904 1.00 0.53 C ATOM 1272 CG LYS A 81 14.208 11.110 3.277 1.00 0.79 C ATOM 1273 CD LYS A 81 14.373 11.123 4.802 1.00 0.55 C ATOM 1274 CE LYS A 81 14.110 12.528 5.364 1.00 1.43 C ATOM 1275 NZ LYS A 81 14.010 13.518 4.254 1.00 3.15 N ATOM 0 H LYS A 81 13.674 10.609 0.746 1.00 0.55 H new ATOM 0 HA LYS A 81 12.182 9.406 2.799 1.00 0.51 H new ATOM 0 HB2 LYS A 81 12.760 12.360 2.268 1.00 0.53 H new ATOM 0 HB3 LYS A 81 12.200 11.721 3.801 1.00 0.53 H new ATOM 0 HG2 LYS A 81 14.455 10.124 2.884 1.00 0.79 H new ATOM 0 HG3 LYS A 81 14.901 11.817 2.822 1.00 0.79 H new ATOM 0 HD2 LYS A 81 13.683 10.410 5.254 1.00 0.55 H new ATOM 0 HD3 LYS A 81 15.381 10.803 5.067 1.00 0.55 H new ATOM 0 HE2 LYS A 81 13.188 12.528 5.945 1.00 1.43 H new ATOM 0 HE3 LYS A 81 14.914 12.812 6.043 1.00 1.43 H new ATOM 0 HZ1 LYS A 81 14.222 14.469 4.617 1.00 3.15 H new ATOM 0 HZ2 LYS A 81 14.691 13.273 3.508 1.00 3.15 H new ATOM 0 HZ3 LYS A 81 13.047 13.504 3.862 1.00 3.15 H new ATOM 1289 N GLN A 82 10.395 11.532 0.995 1.00 0.28 N ATOM 1290 CA GLN A 82 8.984 11.888 0.677 1.00 0.19 C ATOM 1291 C GLN A 82 8.195 10.612 0.375 1.00 0.23 C ATOM 1292 O GLN A 82 7.039 10.486 0.729 1.00 0.29 O ATOM 1293 CB GLN A 82 8.952 12.808 -0.545 1.00 0.18 C ATOM 1294 CG GLN A 82 7.509 13.234 -0.827 1.00 0.55 C ATOM 1295 CD GLN A 82 7.490 14.250 -1.970 1.00 0.73 C ATOM 1296 OE1 GLN A 82 7.699 15.426 -1.757 1.00 0.51 O ATOM 1297 NE2 GLN A 82 7.245 13.840 -3.185 1.00 2.01 N ATOM 0 H GLN A 82 11.102 12.046 0.469 1.00 0.28 H new ATOM 0 HA GLN A 82 8.537 12.401 1.529 1.00 0.19 H new ATOM 0 HB2 GLN A 82 9.574 13.686 -0.369 1.00 0.18 H new ATOM 0 HB3 GLN A 82 9.366 12.293 -1.412 1.00 0.18 H new ATOM 0 HG2 GLN A 82 6.907 12.364 -1.090 1.00 0.55 H new ATOM 0 HG3 GLN A 82 7.066 13.670 0.068 1.00 0.55 H new ATOM 0 HE21 GLN A 82 7.069 12.851 -3.364 1.00 2.01 H new ATOM 0 HE22 GLN A 82 7.229 14.508 -3.955 1.00 2.01 H new ATOM 1306 N LEU A 83 8.810 9.664 -0.276 1.00 0.22 N ATOM 1307 CA LEU A 83 8.097 8.397 -0.599 1.00 0.27 C ATOM 1308 C LEU A 83 7.673 7.711 0.702 1.00 0.27 C ATOM 1309 O LEU A 83 6.512 7.423 0.914 1.00 0.27 O ATOM 1310 CB LEU A 83 9.033 7.474 -1.385 1.00 0.33 C ATOM 1311 CG LEU A 83 8.212 6.514 -2.247 1.00 0.40 C ATOM 1312 CD1 LEU A 83 9.156 5.619 -3.054 1.00 0.46 C ATOM 1313 CD2 LEU A 83 7.331 5.641 -1.351 1.00 0.41 C ATOM 0 H LEU A 83 9.776 9.712 -0.598 1.00 0.22 H new ATOM 0 HA LEU A 83 7.214 8.614 -1.200 1.00 0.27 H new ATOM 0 HB2 LEU A 83 9.697 8.066 -2.015 1.00 0.33 H new ATOM 0 HB3 LEU A 83 9.664 6.911 -0.698 1.00 0.33 H new ATOM 0 HG LEU A 83 7.582 7.089 -2.925 1.00 0.40 H new ATOM 0 HD11 LEU A 83 8.572 4.934 -3.669 1.00 0.46 H new ATOM 0 HD12 LEU A 83 9.784 6.237 -3.696 1.00 0.46 H new ATOM 0 HD13 LEU A 83 9.786 5.047 -2.373 1.00 0.46 H new ATOM 0 HD21 LEU A 83 6.747 4.958 -1.969 1.00 0.41 H new ATOM 0 HD22 LEU A 83 7.960 5.067 -0.670 1.00 0.41 H new ATOM 0 HD23 LEU A 83 6.657 6.275 -0.775 1.00 0.41 H new ATOM 1325 N ILE A 84 8.607 7.450 1.576 1.00 0.27 N ATOM 1326 CA ILE A 84 8.260 6.786 2.864 1.00 0.27 C ATOM 1327 C ILE A 84 7.108 7.538 3.533 1.00 0.21 C ATOM 1328 O ILE A 84 6.141 6.948 3.974 1.00 0.34 O ATOM 1329 CB ILE A 84 9.481 6.800 3.789 1.00 0.29 C ATOM 1330 CG1 ILE A 84 10.720 6.339 3.013 1.00 0.36 C ATOM 1331 CG2 ILE A 84 9.242 5.863 4.974 1.00 0.29 C ATOM 1332 CD1 ILE A 84 10.418 5.030 2.278 1.00 0.39 C ATOM 0 H ILE A 84 9.596 7.668 1.453 1.00 0.27 H new ATOM 0 HA ILE A 84 7.959 5.756 2.672 1.00 0.27 H new ATOM 0 HB ILE A 84 9.640 7.813 4.157 1.00 0.29 H new ATOM 0 HG12 ILE A 84 11.019 7.106 2.299 1.00 0.36 H new ATOM 0 HG13 ILE A 84 11.556 6.197 3.697 1.00 0.36 H new ATOM 0 HG21 ILE A 84 10.113 5.876 5.629 1.00 0.29 H new ATOM 0 HG22 ILE A 84 8.365 6.195 5.529 1.00 0.29 H new ATOM 0 HG23 ILE A 84 9.078 4.849 4.609 1.00 0.29 H new ATOM 0 HD11 ILE A 84 11.303 4.709 1.729 1.00 0.39 H new ATOM 0 HD12 ILE A 84 10.141 4.263 3.001 1.00 0.39 H new ATOM 0 HD13 ILE A 84 9.595 5.186 1.581 1.00 0.39 H new ATOM 1344 N ARG A 85 7.202 8.837 3.615 1.00 0.11 N ATOM 1345 CA ARG A 85 6.113 9.625 4.258 1.00 0.17 C ATOM 1346 C ARG A 85 4.759 9.166 3.709 1.00 0.20 C ATOM 1347 O ARG A 85 3.841 8.885 4.453 1.00 0.29 O ATOM 1348 CB ARG A 85 6.309 11.111 3.954 1.00 0.17 C ATOM 1349 CG ARG A 85 7.415 11.674 4.849 1.00 1.23 C ATOM 1350 CD ARG A 85 6.789 12.419 6.029 1.00 0.63 C ATOM 1351 NE ARG A 85 7.865 12.926 6.924 1.00 1.55 N ATOM 1352 CZ ARG A 85 7.594 13.834 7.822 1.00 1.47 C ATOM 1353 NH1 ARG A 85 6.381 14.298 7.935 1.00 1.52 N ATOM 1354 NH2 ARG A 85 8.538 14.277 8.606 1.00 2.25 N ATOM 0 H ARG A 85 7.986 9.387 3.264 1.00 0.11 H new ATOM 0 HA ARG A 85 6.140 9.469 5.336 1.00 0.17 H new ATOM 0 HB2 ARG A 85 6.571 11.247 2.905 1.00 0.17 H new ATOM 0 HB3 ARG A 85 5.379 11.653 4.123 1.00 0.17 H new ATOM 0 HG2 ARG A 85 8.050 10.866 5.212 1.00 1.23 H new ATOM 0 HG3 ARG A 85 8.052 12.348 4.277 1.00 1.23 H new ATOM 0 HD2 ARG A 85 6.181 13.248 5.668 1.00 0.63 H new ATOM 0 HD3 ARG A 85 6.125 11.754 6.582 1.00 0.63 H new ATOM 0 HE ARG A 85 8.814 12.564 6.836 1.00 1.55 H new ATOM 0 HH11 ARG A 85 5.643 13.952 7.322 1.00 1.52 H new ATOM 0 HH12 ARG A 85 6.170 15.007 8.637 1.00 1.52 H new ATOM 0 HH21 ARG A 85 9.487 13.914 8.517 1.00 2.25 H new ATOM 0 HH22 ARG A 85 8.327 14.986 9.308 1.00 2.25 H new ATOM 1368 N PHE A 86 4.627 9.092 2.413 1.00 0.19 N ATOM 1369 CA PHE A 86 3.332 8.655 1.820 1.00 0.29 C ATOM 1370 C PHE A 86 2.981 7.255 2.331 1.00 0.28 C ATOM 1371 O PHE A 86 1.922 7.035 2.883 1.00 0.46 O ATOM 1372 CB PHE A 86 3.452 8.627 0.295 1.00 0.36 C ATOM 1373 CG PHE A 86 3.127 9.993 -0.260 1.00 0.44 C ATOM 1374 CD1 PHE A 86 1.800 10.438 -0.292 1.00 0.65 C ATOM 1375 CD2 PHE A 86 4.153 10.815 -0.742 1.00 0.33 C ATOM 1376 CE1 PHE A 86 1.498 11.705 -0.807 1.00 0.72 C ATOM 1377 CE2 PHE A 86 3.851 12.082 -1.256 1.00 0.40 C ATOM 1378 CZ PHE A 86 2.524 12.526 -1.289 1.00 0.58 C ATOM 0 H PHE A 86 5.360 9.315 1.739 1.00 0.19 H new ATOM 0 HA PHE A 86 2.547 9.354 2.110 1.00 0.29 H new ATOM 0 HB2 PHE A 86 4.461 8.335 0.004 1.00 0.36 H new ATOM 0 HB3 PHE A 86 2.773 7.883 -0.120 1.00 0.36 H new ATOM 0 HD1 PHE A 86 1.009 9.804 0.081 1.00 0.65 H new ATOM 0 HD2 PHE A 86 5.177 10.472 -0.717 1.00 0.33 H new ATOM 0 HE1 PHE A 86 0.474 12.048 -0.832 1.00 0.72 H new ATOM 0 HE2 PHE A 86 4.642 12.717 -1.627 1.00 0.40 H new ATOM 0 HZ PHE A 86 2.292 13.503 -1.687 1.00 0.58 H new ATOM 1388 N LEU A 87 3.860 6.307 2.149 1.00 0.11 N ATOM 1389 CA LEU A 87 3.570 4.926 2.624 1.00 0.08 C ATOM 1390 C LEU A 87 3.110 4.976 4.082 1.00 0.07 C ATOM 1391 O LEU A 87 2.092 4.417 4.440 1.00 0.07 O ATOM 1392 CB LEU A 87 4.834 4.068 2.516 1.00 0.10 C ATOM 1393 CG LEU A 87 5.415 4.184 1.105 1.00 0.44 C ATOM 1394 CD1 LEU A 87 6.649 3.287 0.985 1.00 0.37 C ATOM 1395 CD2 LEU A 87 4.366 3.741 0.083 1.00 0.70 C ATOM 0 H LEU A 87 4.764 6.430 1.693 1.00 0.11 H new ATOM 0 HA LEU A 87 2.784 4.489 2.008 1.00 0.08 H new ATOM 0 HB2 LEU A 87 5.570 4.393 3.251 1.00 0.10 H new ATOM 0 HB3 LEU A 87 4.599 3.027 2.739 1.00 0.10 H new ATOM 0 HG LEU A 87 5.697 5.219 0.914 1.00 0.44 H new ATOM 0 HD11 LEU A 87 7.063 3.370 -0.020 1.00 0.37 H new ATOM 0 HD12 LEU A 87 7.398 3.599 1.713 1.00 0.37 H new ATOM 0 HD13 LEU A 87 6.366 2.252 1.177 1.00 0.37 H new ATOM 0 HD21 LEU A 87 4.780 3.824 -0.922 1.00 0.70 H new ATOM 0 HD22 LEU A 87 4.085 2.706 0.276 1.00 0.70 H new ATOM 0 HD23 LEU A 87 3.485 4.378 0.166 1.00 0.70 H new ATOM 1407 N LYS A 88 3.848 5.642 4.926 1.00 0.08 N ATOM 1408 CA LYS A 88 3.449 5.728 6.359 1.00 0.09 C ATOM 1409 C LYS A 88 2.048 6.336 6.461 1.00 0.10 C ATOM 1410 O LYS A 88 1.338 6.124 7.423 1.00 0.15 O ATOM 1411 CB LYS A 88 4.444 6.612 7.115 1.00 0.08 C ATOM 1412 CG LYS A 88 5.846 6.008 7.013 1.00 1.04 C ATOM 1413 CD LYS A 88 6.525 6.061 8.383 1.00 0.70 C ATOM 1414 CE LYS A 88 8.023 5.797 8.222 1.00 1.84 C ATOM 1415 NZ LYS A 88 8.555 5.177 9.468 1.00 1.90 N ATOM 0 H LYS A 88 4.710 6.131 4.685 1.00 0.08 H new ATOM 0 HA LYS A 88 3.446 4.729 6.796 1.00 0.09 H new ATOM 0 HB2 LYS A 88 4.440 7.620 6.699 1.00 0.08 H new ATOM 0 HB3 LYS A 88 4.149 6.697 8.161 1.00 0.08 H new ATOM 0 HG2 LYS A 88 5.785 4.977 6.665 1.00 1.04 H new ATOM 0 HG3 LYS A 88 6.438 6.557 6.280 1.00 1.04 H new ATOM 0 HD2 LYS A 88 6.364 7.036 8.843 1.00 0.70 H new ATOM 0 HD3 LYS A 88 6.084 5.319 9.048 1.00 0.70 H new ATOM 0 HE2 LYS A 88 8.198 5.138 7.372 1.00 1.84 H new ATOM 0 HE3 LYS A 88 8.547 6.730 8.015 1.00 1.84 H new ATOM 0 HZ1 LYS A 88 9.574 4.997 9.359 1.00 1.90 H new ATOM 0 HZ2 LYS A 88 8.401 5.822 10.270 1.00 1.90 H new ATOM 0 HZ3 LYS A 88 8.062 4.279 9.647 1.00 1.90 H new ATOM 1429 N ARG A 89 1.647 7.091 5.475 1.00 0.16 N ATOM 1430 CA ARG A 89 0.294 7.714 5.516 1.00 0.17 C ATOM 1431 C ARG A 89 -0.757 6.685 5.092 1.00 0.14 C ATOM 1432 O ARG A 89 -1.584 6.267 5.878 1.00 0.11 O ATOM 1433 CB ARG A 89 0.254 8.909 4.562 1.00 0.20 C ATOM 1434 CG ARG A 89 -0.475 10.076 5.234 1.00 0.94 C ATOM 1435 CD ARG A 89 -0.529 11.265 4.273 1.00 0.69 C ATOM 1436 NE ARG A 89 -1.927 11.775 4.193 1.00 0.81 N ATOM 1437 CZ ARG A 89 -2.165 12.949 3.678 1.00 1.28 C ATOM 1438 NH1 ARG A 89 -1.178 13.678 3.232 1.00 0.92 N ATOM 1439 NH2 ARG A 89 -3.389 13.397 3.608 1.00 2.38 N ATOM 0 H ARG A 89 2.198 7.303 4.643 1.00 0.16 H new ATOM 0 HA ARG A 89 0.081 8.052 6.530 1.00 0.17 H new ATOM 0 HB2 ARG A 89 1.267 9.206 4.292 1.00 0.20 H new ATOM 0 HB3 ARG A 89 -0.254 8.633 3.638 1.00 0.20 H new ATOM 0 HG2 ARG A 89 -1.484 9.775 5.514 1.00 0.94 H new ATOM 0 HG3 ARG A 89 0.039 10.360 6.152 1.00 0.94 H new ATOM 0 HD2 ARG A 89 0.139 12.055 4.617 1.00 0.69 H new ATOM 0 HD3 ARG A 89 -0.183 10.963 3.284 1.00 0.69 H new ATOM 0 HE ARG A 89 -2.698 11.205 4.541 1.00 0.81 H new ATOM 0 HH11 ARG A 89 -0.221 13.329 3.286 1.00 0.92 H new ATOM 0 HH12 ARG A 89 -1.364 14.596 2.829 1.00 0.92 H new ATOM 0 HH21 ARG A 89 -4.161 12.828 3.956 1.00 2.38 H new ATOM 0 HH22 ARG A 89 -3.574 14.316 3.205 1.00 2.38 H new ATOM 1453 N LEU A 90 -0.733 6.273 3.853 1.00 0.18 N ATOM 1454 CA LEU A 90 -1.733 5.274 3.383 1.00 0.18 C ATOM 1455 C LEU A 90 -1.573 3.977 4.181 1.00 0.20 C ATOM 1456 O LEU A 90 -2.476 3.169 4.254 1.00 0.24 O ATOM 1457 CB LEU A 90 -1.513 4.989 1.894 1.00 0.17 C ATOM 1458 CG LEU A 90 -0.095 4.459 1.675 1.00 0.19 C ATOM 1459 CD1 LEU A 90 -0.144 2.947 1.446 1.00 0.23 C ATOM 1460 CD2 LEU A 90 0.517 5.137 0.446 1.00 0.23 C ATOM 0 H LEU A 90 -0.065 6.585 3.148 1.00 0.18 H new ATOM 0 HA LEU A 90 -2.738 5.670 3.531 1.00 0.18 H new ATOM 0 HB2 LEU A 90 -2.243 4.260 1.542 1.00 0.17 H new ATOM 0 HB3 LEU A 90 -1.665 5.899 1.313 1.00 0.17 H new ATOM 0 HG LEU A 90 0.513 4.675 2.554 1.00 0.19 H new ATOM 0 HD11 LEU A 90 0.867 2.570 1.290 1.00 0.23 H new ATOM 0 HD12 LEU A 90 -0.582 2.461 2.318 1.00 0.23 H new ATOM 0 HD13 LEU A 90 -0.751 2.732 0.567 1.00 0.23 H new ATOM 0 HD21 LEU A 90 1.528 4.761 0.288 1.00 0.23 H new ATOM 0 HD22 LEU A 90 -0.092 4.919 -0.431 1.00 0.23 H new ATOM 0 HD23 LEU A 90 0.552 6.215 0.605 1.00 0.23 H new ATOM 1472 N ASP A 91 -0.432 3.773 4.780 1.00 0.22 N ATOM 1473 CA ASP A 91 -0.220 2.529 5.572 1.00 0.24 C ATOM 1474 C ASP A 91 -1.226 2.482 6.724 1.00 0.24 C ATOM 1475 O ASP A 91 -1.743 1.438 7.067 1.00 0.30 O ATOM 1476 CB ASP A 91 1.202 2.519 6.135 1.00 0.24 C ATOM 1477 CG ASP A 91 1.294 1.498 7.271 1.00 0.26 C ATOM 1478 OD1 ASP A 91 0.957 0.349 7.037 1.00 0.90 O ATOM 1479 OD2 ASP A 91 1.699 1.883 8.355 1.00 1.33 O ATOM 0 H ASP A 91 0.362 4.413 4.755 1.00 0.22 H new ATOM 0 HA ASP A 91 -0.362 1.660 4.930 1.00 0.24 H new ATOM 0 HB2 ASP A 91 1.914 2.269 5.349 1.00 0.24 H new ATOM 0 HB3 ASP A 91 1.467 3.511 6.501 1.00 0.24 H new ATOM 1484 N ARG A 92 -1.506 3.606 7.325 1.00 0.21 N ATOM 1485 CA ARG A 92 -2.477 3.625 8.456 1.00 0.25 C ATOM 1486 C ARG A 92 -3.899 3.736 7.904 1.00 0.25 C ATOM 1487 O ARG A 92 -4.843 3.241 8.490 1.00 0.27 O ATOM 1488 CB ARG A 92 -2.185 4.825 9.359 1.00 0.30 C ATOM 1489 CG ARG A 92 -0.707 4.818 9.757 1.00 0.32 C ATOM 1490 CD ARG A 92 -0.384 3.522 10.503 1.00 1.21 C ATOM 1491 NE ARG A 92 0.794 3.739 11.389 1.00 1.74 N ATOM 1492 CZ ARG A 92 1.068 2.880 12.333 1.00 2.35 C ATOM 1493 NH1 ARG A 92 0.309 1.831 12.501 1.00 2.63 N ATOM 1494 NH2 ARG A 92 2.099 3.070 13.109 1.00 2.94 N ATOM 0 H ARG A 92 -1.105 4.512 7.082 1.00 0.21 H new ATOM 0 HA ARG A 92 -2.382 2.705 9.033 1.00 0.25 H new ATOM 0 HB2 ARG A 92 -2.428 5.752 8.840 1.00 0.30 H new ATOM 0 HB3 ARG A 92 -2.812 4.785 10.249 1.00 0.30 H new ATOM 0 HG2 ARG A 92 -0.080 4.905 8.869 1.00 0.32 H new ATOM 0 HG3 ARG A 92 -0.486 5.678 10.389 1.00 0.32 H new ATOM 0 HD2 ARG A 92 -1.244 3.206 11.094 1.00 1.21 H new ATOM 0 HD3 ARG A 92 -0.175 2.723 9.792 1.00 1.21 H new ATOM 0 HE ARG A 92 1.386 4.559 11.258 1.00 1.74 H new ATOM 0 HH11 ARG A 92 -0.498 1.683 11.895 1.00 2.63 H new ATOM 0 HH12 ARG A 92 0.523 1.160 13.239 1.00 2.63 H new ATOM 0 HH21 ARG A 92 2.691 3.890 12.978 1.00 2.94 H new ATOM 0 HH22 ARG A 92 2.313 2.399 13.847 1.00 2.94 H new ATOM 1508 N ASN A 93 -4.063 4.383 6.784 1.00 0.23 N ATOM 1509 CA ASN A 93 -5.426 4.524 6.198 1.00 0.23 C ATOM 1510 C ASN A 93 -6.066 3.141 6.056 1.00 0.23 C ATOM 1511 O ASN A 93 -7.177 2.913 6.491 1.00 0.22 O ATOM 1512 CB ASN A 93 -5.325 5.183 4.821 1.00 0.29 C ATOM 1513 CG ASN A 93 -4.711 6.576 4.965 1.00 0.23 C ATOM 1514 OD1 ASN A 93 -4.609 7.311 4.002 1.00 0.91 O ATOM 1515 ND2 ASN A 93 -4.295 6.974 6.136 1.00 1.01 N ATOM 0 H ASN A 93 -3.313 4.820 6.249 1.00 0.23 H new ATOM 0 HA ASN A 93 -6.040 5.143 6.852 1.00 0.23 H new ATOM 0 HB2 ASN A 93 -4.713 4.571 4.158 1.00 0.29 H new ATOM 0 HB3 ASN A 93 -6.313 5.255 4.367 1.00 0.29 H new ATOM 0 HD21 ASN A 93 -3.884 7.902 6.243 1.00 1.01 H new ATOM 0 HD22 ASN A 93 -4.380 6.358 6.944 1.00 1.01 H new ATOM 1522 N LEU A 94 -5.372 2.216 5.452 1.00 0.26 N ATOM 1523 CA LEU A 94 -5.941 0.849 5.285 1.00 0.29 C ATOM 1524 C LEU A 94 -6.287 0.271 6.659 1.00 0.26 C ATOM 1525 O LEU A 94 -7.434 0.009 6.962 1.00 0.26 O ATOM 1526 CB LEU A 94 -4.913 -0.052 4.597 1.00 0.39 C ATOM 1527 CG LEU A 94 -4.459 0.593 3.286 1.00 0.44 C ATOM 1528 CD1 LEU A 94 -3.419 -0.303 2.610 1.00 0.57 C ATOM 1529 CD2 LEU A 94 -5.662 0.767 2.355 1.00 0.31 C ATOM 0 H LEU A 94 -4.437 2.347 5.067 1.00 0.26 H new ATOM 0 HA LEU A 94 -6.842 0.902 4.675 1.00 0.29 H new ATOM 0 HB2 LEU A 94 -4.056 -0.209 5.252 1.00 0.39 H new ATOM 0 HB3 LEU A 94 -5.348 -1.032 4.400 1.00 0.39 H new ATOM 0 HG LEU A 94 -4.019 1.568 3.497 1.00 0.44 H new ATOM 0 HD11 LEU A 94 -3.095 0.156 1.676 1.00 0.57 H new ATOM 0 HD12 LEU A 94 -2.561 -0.426 3.270 1.00 0.57 H new ATOM 0 HD13 LEU A 94 -3.859 -1.278 2.401 1.00 0.57 H new ATOM 0 HD21 LEU A 94 -5.336 1.227 1.422 1.00 0.31 H new ATOM 0 HD22 LEU A 94 -6.103 -0.207 2.145 1.00 0.31 H new ATOM 0 HD23 LEU A 94 -6.404 1.406 2.835 1.00 0.31 H new ATOM 1541 N TRP A 95 -5.304 0.070 7.493 1.00 0.28 N ATOM 1542 CA TRP A 95 -5.579 -0.490 8.846 1.00 0.29 C ATOM 1543 C TRP A 95 -6.677 0.331 9.524 1.00 0.20 C ATOM 1544 O TRP A 95 -7.214 -0.054 10.543 1.00 0.22 O ATOM 1545 CB TRP A 95 -4.304 -0.433 9.690 1.00 0.35 C ATOM 1546 CG TRP A 95 -4.598 -0.930 11.069 1.00 0.38 C ATOM 1547 CD1 TRP A 95 -4.946 -0.149 12.118 1.00 0.38 C ATOM 1548 CD2 TRP A 95 -4.577 -2.299 11.567 1.00 0.43 C ATOM 1549 NE1 TRP A 95 -5.140 -0.952 13.227 1.00 0.42 N ATOM 1550 CE2 TRP A 95 -4.924 -2.285 12.938 1.00 0.45 C ATOM 1551 CE3 TRP A 95 -4.294 -3.539 10.967 1.00 0.47 C ATOM 1552 CZ2 TRP A 95 -4.988 -3.460 13.688 1.00 0.50 C ATOM 1553 CZ3 TRP A 95 -4.358 -4.724 11.719 1.00 0.52 C ATOM 1554 CH2 TRP A 95 -4.704 -4.684 13.077 1.00 0.53 C ATOM 0 H TRP A 95 -4.323 0.269 7.296 1.00 0.28 H new ATOM 0 HA TRP A 95 -5.906 -1.525 8.751 1.00 0.29 H new ATOM 0 HB2 TRP A 95 -3.524 -1.040 9.231 1.00 0.35 H new ATOM 0 HB3 TRP A 95 -3.928 0.589 9.732 1.00 0.35 H new ATOM 0 HD1 TRP A 95 -5.054 0.925 12.093 1.00 0.38 H new ATOM 0 HE1 TRP A 95 -5.410 -0.602 14.146 1.00 0.42 H new ATOM 0 HE3 TRP A 95 -4.026 -3.581 9.922 1.00 0.47 H new ATOM 0 HZ2 TRP A 95 -5.255 -3.424 14.734 1.00 0.50 H new ATOM 0 HZ3 TRP A 95 -4.139 -5.671 11.248 1.00 0.52 H new ATOM 0 HH2 TRP A 95 -4.751 -5.598 13.650 1.00 0.53 H new ATOM 1565 N GLY A 96 -7.015 1.463 8.967 1.00 0.15 N ATOM 1566 CA GLY A 96 -8.078 2.307 9.581 1.00 0.17 C ATOM 1567 C GLY A 96 -9.449 1.694 9.293 1.00 0.19 C ATOM 1568 O GLY A 96 -10.109 1.183 10.175 1.00 0.21 O ATOM 0 H GLY A 96 -6.601 1.839 8.114 1.00 0.15 H new ATOM 0 HA2 GLY A 96 -7.921 2.382 10.657 1.00 0.17 H new ATOM 0 HA3 GLY A 96 -8.030 3.319 9.180 1.00 0.17 H new ATOM 1572 N LEU A 97 -9.883 1.742 8.063 1.00 0.20 N ATOM 1573 CA LEU A 97 -11.214 1.161 7.721 1.00 0.25 C ATOM 1574 C LEU A 97 -11.226 -0.329 8.063 1.00 0.22 C ATOM 1575 O LEU A 97 -12.221 -1.006 7.892 1.00 0.27 O ATOM 1576 CB LEU A 97 -11.499 1.356 6.224 1.00 0.34 C ATOM 1577 CG LEU A 97 -10.297 0.899 5.378 1.00 0.28 C ATOM 1578 CD1 LEU A 97 -10.148 -0.628 5.418 1.00 0.37 C ATOM 1579 CD2 LEU A 97 -10.510 1.342 3.929 1.00 0.37 C ATOM 0 H LEU A 97 -9.376 2.157 7.282 1.00 0.20 H new ATOM 0 HA LEU A 97 -11.987 1.668 8.298 1.00 0.25 H new ATOM 0 HB2 LEU A 97 -12.386 0.789 5.941 1.00 0.34 H new ATOM 0 HB3 LEU A 97 -11.714 2.406 6.023 1.00 0.34 H new ATOM 0 HG LEU A 97 -9.392 1.348 5.786 1.00 0.28 H new ATOM 0 HD11 LEU A 97 -9.292 -0.926 4.813 1.00 0.37 H new ATOM 0 HD12 LEU A 97 -9.995 -0.952 6.447 1.00 0.37 H new ATOM 0 HD13 LEU A 97 -11.051 -1.092 5.022 1.00 0.37 H new ATOM 0 HD21 LEU A 97 -9.663 1.022 3.322 1.00 0.37 H new ATOM 0 HD22 LEU A 97 -11.424 0.892 3.542 1.00 0.37 H new ATOM 0 HD23 LEU A 97 -10.595 2.428 3.889 1.00 0.37 H new ATOM 1591 N ALA A 98 -10.130 -0.847 8.543 1.00 0.17 N ATOM 1592 CA ALA A 98 -10.081 -2.295 8.894 1.00 0.21 C ATOM 1593 C ALA A 98 -10.689 -2.503 10.282 1.00 0.18 C ATOM 1594 O ALA A 98 -11.790 -3.000 10.420 1.00 0.17 O ATOM 1595 CB ALA A 98 -8.626 -2.770 8.897 1.00 0.30 C ATOM 0 H ALA A 98 -9.266 -0.331 8.708 1.00 0.17 H new ATOM 0 HA ALA A 98 -10.648 -2.867 8.160 1.00 0.21 H new ATOM 0 HB1 ALA A 98 -8.589 -3.829 9.154 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -8.193 -2.621 7.908 1.00 0.30 H new ATOM 0 HB3 ALA A 98 -8.058 -2.199 9.632 1.00 0.30 H new ATOM 1601 N GLY A 99 -9.982 -2.126 11.312 1.00 0.23 N ATOM 1602 CA GLY A 99 -10.521 -2.303 12.690 1.00 0.25 C ATOM 1603 C GLY A 99 -10.306 -3.747 13.144 1.00 0.29 C ATOM 1604 O GLY A 99 -10.897 -4.201 14.103 1.00 0.55 O ATOM 0 H GLY A 99 -9.055 -1.703 11.259 1.00 0.23 H new ATOM 0 HA2 GLY A 99 -10.024 -1.618 13.376 1.00 0.25 H new ATOM 0 HA3 GLY A 99 -11.583 -2.059 12.710 1.00 0.25 H new ATOM 1608 N LEU A 100 -9.465 -4.475 12.462 1.00 0.24 N ATOM 1609 CA LEU A 100 -9.214 -5.891 12.855 1.00 0.22 C ATOM 1610 C LEU A 100 -8.142 -5.932 13.945 1.00 0.24 C ATOM 1611 O LEU A 100 -7.142 -5.246 13.873 1.00 0.37 O ATOM 1612 CB LEU A 100 -8.734 -6.682 11.635 1.00 0.22 C ATOM 1613 CG LEU A 100 -9.925 -7.383 10.980 1.00 0.18 C ATOM 1614 CD1 LEU A 100 -9.592 -7.699 9.520 1.00 0.17 C ATOM 1615 CD2 LEU A 100 -10.224 -8.686 11.726 1.00 0.30 C ATOM 0 H LEU A 100 -8.941 -4.151 11.649 1.00 0.24 H new ATOM 0 HA LEU A 100 -10.135 -6.334 13.234 1.00 0.22 H new ATOM 0 HB2 LEU A 100 -8.254 -6.013 10.920 1.00 0.22 H new ATOM 0 HB3 LEU A 100 -7.987 -7.416 11.936 1.00 0.22 H new ATOM 0 HG LEU A 100 -10.797 -6.731 11.022 1.00 0.18 H new ATOM 0 HD11 LEU A 100 -10.441 -8.199 9.053 1.00 0.17 H new ATOM 0 HD12 LEU A 100 -9.378 -6.773 8.987 1.00 0.17 H new ATOM 0 HD13 LEU A 100 -8.720 -8.351 9.479 1.00 0.17 H new ATOM 0 HD21 LEU A 100 -11.073 -9.186 11.259 1.00 0.30 H new ATOM 0 HD22 LEU A 100 -9.351 -9.338 11.684 1.00 0.30 H new ATOM 0 HD23 LEU A 100 -10.461 -8.463 12.766 1.00 0.30 H new ATOM 1627 N ASN A 101 -8.341 -6.734 14.956 1.00 0.25 N ATOM 1628 CA ASN A 101 -7.332 -6.819 16.050 1.00 0.25 C ATOM 1629 C ASN A 101 -6.350 -7.954 15.751 1.00 0.29 C ATOM 1630 O ASN A 101 -5.167 -7.735 15.580 1.00 0.40 O ATOM 1631 CB ASN A 101 -8.042 -7.095 17.376 1.00 0.28 C ATOM 1632 CG ASN A 101 -8.039 -5.826 18.232 1.00 0.58 C ATOM 1633 OD1 ASN A 101 -6.993 -5.320 18.584 1.00 1.10 O ATOM 1634 ND2 ASN A 101 -9.175 -5.287 18.581 1.00 1.64 N ATOM 0 H ASN A 101 -9.158 -7.333 15.071 1.00 0.25 H new ATOM 0 HA ASN A 101 -6.788 -5.877 16.118 1.00 0.25 H new ATOM 0 HB2 ASN A 101 -9.066 -7.419 17.191 1.00 0.28 H new ATOM 0 HB3 ASN A 101 -7.542 -7.905 17.907 1.00 0.28 H new ATOM 0 HD21 ASN A 101 -9.184 -4.440 19.150 1.00 1.64 H new ATOM 0 HD22 ASN A 101 -10.054 -5.712 18.285 1.00 1.64 H new ATOM 1641 N SER A 102 -6.830 -9.165 15.688 1.00 0.25 N ATOM 1642 CA SER A 102 -5.923 -10.312 15.403 1.00 0.27 C ATOM 1643 C SER A 102 -5.847 -10.539 13.891 1.00 0.25 C ATOM 1644 O SER A 102 -6.841 -10.797 13.242 1.00 0.37 O ATOM 1645 CB SER A 102 -6.463 -11.571 16.080 1.00 0.30 C ATOM 1646 OG SER A 102 -7.328 -11.197 17.144 1.00 1.48 O ATOM 0 H SER A 102 -7.811 -9.410 15.822 1.00 0.25 H new ATOM 0 HA SER A 102 -4.928 -10.091 15.788 1.00 0.27 H new ATOM 0 HB2 SER A 102 -7.001 -12.184 15.357 1.00 0.30 H new ATOM 0 HB3 SER A 102 -5.639 -12.175 16.461 1.00 0.30 H new ATOM 0 HG SER A 102 -7.678 -12.002 17.580 1.00 1.48 H new ATOM 1652 N CYS A 103 -4.674 -10.446 13.327 1.00 0.25 N ATOM 1653 CA CYS A 103 -4.535 -10.658 11.857 1.00 0.23 C ATOM 1654 C CYS A 103 -3.116 -11.149 11.539 1.00 0.31 C ATOM 1655 O CYS A 103 -2.348 -10.437 10.923 1.00 0.33 O ATOM 1656 CB CYS A 103 -4.784 -9.334 11.134 1.00 0.20 C ATOM 1657 SG CYS A 103 -4.578 -9.572 9.351 1.00 0.33 S ATOM 0 H CYS A 103 -3.806 -10.233 13.819 1.00 0.25 H new ATOM 0 HA CYS A 103 -5.259 -11.403 11.526 1.00 0.23 H new ATOM 0 HB2 CYS A 103 -5.790 -8.973 11.350 1.00 0.20 H new ATOM 0 HB3 CYS A 103 -4.089 -8.575 11.493 1.00 0.20 H new ATOM 1662 N PRO A 104 -2.803 -12.351 11.968 1.00 0.35 N ATOM 1663 CA PRO A 104 -1.470 -12.937 11.730 1.00 0.43 C ATOM 1664 C PRO A 104 -1.233 -13.128 10.230 1.00 0.44 C ATOM 1665 O PRO A 104 -2.155 -13.344 9.468 1.00 0.41 O ATOM 1666 CB PRO A 104 -1.502 -14.294 12.447 1.00 0.46 C ATOM 1667 CG PRO A 104 -2.911 -14.466 13.069 1.00 0.39 C ATOM 1668 CD PRO A 104 -3.735 -13.218 12.716 1.00 0.32 C ATOM 0 HA PRO A 104 -0.667 -12.298 12.097 1.00 0.43 H new ATOM 0 HB2 PRO A 104 -1.292 -15.102 11.746 1.00 0.46 H new ATOM 0 HB3 PRO A 104 -0.735 -14.336 13.220 1.00 0.46 H new ATOM 0 HG2 PRO A 104 -3.393 -15.364 12.682 1.00 0.39 H new ATOM 0 HG3 PRO A 104 -2.840 -14.584 14.150 1.00 0.39 H new ATOM 0 HD2 PRO A 104 -4.606 -13.476 12.113 1.00 0.32 H new ATOM 0 HD3 PRO A 104 -4.104 -12.721 13.613 1.00 0.32 H new ATOM 1676 N VAL A 105 -0.003 -13.051 9.801 1.00 0.50 N ATOM 1677 CA VAL A 105 0.296 -13.231 8.351 1.00 0.53 C ATOM 1678 C VAL A 105 0.659 -14.693 8.087 1.00 0.62 C ATOM 1679 O VAL A 105 0.808 -15.480 9.002 1.00 0.68 O ATOM 1680 CB VAL A 105 1.473 -12.332 7.962 1.00 0.56 C ATOM 1681 CG1 VAL A 105 2.710 -12.734 8.764 1.00 0.76 C ATOM 1682 CG2 VAL A 105 1.764 -12.486 6.467 1.00 0.64 C ATOM 0 H VAL A 105 0.809 -12.871 10.392 1.00 0.50 H new ATOM 0 HA VAL A 105 -0.578 -12.962 7.759 1.00 0.53 H new ATOM 0 HB VAL A 105 1.221 -11.294 8.178 1.00 0.56 H new ATOM 0 HG11 VAL A 105 3.547 -12.094 8.487 1.00 0.76 H new ATOM 0 HG12 VAL A 105 2.505 -12.623 9.829 1.00 0.76 H new ATOM 0 HG13 VAL A 105 2.961 -13.773 8.549 1.00 0.76 H new ATOM 0 HG21 VAL A 105 2.602 -11.846 6.192 1.00 0.64 H new ATOM 0 HG22 VAL A 105 2.014 -13.524 6.250 1.00 0.64 H new ATOM 0 HG23 VAL A 105 0.883 -12.198 5.893 1.00 0.64 H new ATOM 1692 N LYS A 106 0.801 -15.066 6.843 1.00 0.86 N ATOM 1693 CA LYS A 106 1.153 -16.479 6.520 1.00 0.96 C ATOM 1694 C LYS A 106 2.073 -16.511 5.298 1.00 0.62 C ATOM 1695 O LYS A 106 3.062 -15.808 5.235 1.00 0.70 O ATOM 1696 CB LYS A 106 -0.123 -17.267 6.218 1.00 1.15 C ATOM 1697 CG LYS A 106 0.169 -18.766 6.301 1.00 1.57 C ATOM 1698 CD LYS A 106 -0.758 -19.523 5.348 1.00 1.30 C ATOM 1699 CE LYS A 106 -2.215 -19.246 5.725 1.00 1.15 C ATOM 1700 NZ LYS A 106 -2.390 -19.428 7.195 1.00 2.35 N ATOM 0 H LYS A 106 0.688 -14.452 6.036 1.00 0.86 H new ATOM 0 HA LYS A 106 1.665 -16.928 7.371 1.00 0.96 H new ATOM 0 HB2 LYS A 106 -0.905 -16.999 6.928 1.00 1.15 H new ATOM 0 HB3 LYS A 106 -0.493 -17.013 5.225 1.00 1.15 H new ATOM 0 HG2 LYS A 106 1.210 -18.959 6.042 1.00 1.57 H new ATOM 0 HG3 LYS A 106 0.024 -19.119 7.322 1.00 1.57 H new ATOM 0 HD2 LYS A 106 -0.572 -19.212 4.320 1.00 1.30 H new ATOM 0 HD3 LYS A 106 -0.555 -20.593 5.400 1.00 1.30 H new ATOM 0 HE2 LYS A 106 -2.490 -18.231 5.438 1.00 1.15 H new ATOM 0 HE3 LYS A 106 -2.877 -19.921 5.183 1.00 1.15 H new ATOM 0 HZ1 LYS A 106 -3.379 -19.678 7.399 1.00 2.35 H new ATOM 0 HZ2 LYS A 106 -1.765 -20.190 7.527 1.00 2.35 H new ATOM 0 HZ3 LYS A 106 -2.148 -18.543 7.686 1.00 2.35 H new ATOM 1714 N GLU A 107 1.756 -17.323 4.326 1.00 0.57 N ATOM 1715 CA GLU A 107 2.613 -17.402 3.109 1.00 0.22 C ATOM 1716 C GLU A 107 2.071 -16.453 2.039 1.00 0.57 C ATOM 1717 O GLU A 107 1.178 -15.666 2.287 1.00 1.28 O ATOM 1718 CB GLU A 107 2.602 -18.835 2.571 1.00 0.46 C ATOM 1719 CG GLU A 107 3.628 -19.675 3.334 1.00 0.96 C ATOM 1720 CD GLU A 107 3.582 -21.119 2.832 1.00 1.83 C ATOM 1721 OE1 GLU A 107 3.329 -21.308 1.653 1.00 2.77 O ATOM 1722 OE2 GLU A 107 3.797 -22.011 3.635 1.00 2.05 O ATOM 0 H GLU A 107 0.940 -17.935 4.322 1.00 0.57 H new ATOM 0 HA GLU A 107 3.633 -17.116 3.365 1.00 0.22 H new ATOM 0 HB2 GLU A 107 1.608 -19.268 2.681 1.00 0.46 H new ATOM 0 HB3 GLU A 107 2.835 -18.837 1.506 1.00 0.46 H new ATOM 0 HG2 GLU A 107 4.627 -19.262 3.195 1.00 0.96 H new ATOM 0 HG3 GLU A 107 3.416 -19.644 4.403 1.00 0.96 H new ATOM 1729 N ALA A 108 2.603 -16.518 0.849 1.00 0.38 N ATOM 1730 CA ALA A 108 2.119 -15.620 -0.236 1.00 0.88 C ATOM 1731 C ALA A 108 3.062 -15.720 -1.437 1.00 0.91 C ATOM 1732 O ALA A 108 4.188 -16.160 -1.320 1.00 0.82 O ATOM 1733 CB ALA A 108 2.091 -14.176 0.271 1.00 1.10 C ATOM 0 H ALA A 108 3.353 -17.155 0.582 1.00 0.38 H new ATOM 0 HA ALA A 108 1.115 -15.919 -0.535 1.00 0.88 H new ATOM 0 HB1 ALA A 108 1.737 -13.518 -0.523 1.00 1.10 H new ATOM 0 HB2 ALA A 108 1.421 -14.104 1.128 1.00 1.10 H new ATOM 0 HB3 ALA A 108 3.095 -13.876 0.570 1.00 1.10 H new ATOM 1739 N ASP A 109 2.610 -15.314 -2.593 1.00 1.17 N ATOM 1740 CA ASP A 109 3.480 -15.386 -3.800 1.00 1.37 C ATOM 1741 C ASP A 109 4.505 -14.250 -3.758 1.00 1.07 C ATOM 1742 O ASP A 109 5.012 -13.898 -2.711 1.00 1.04 O ATOM 1743 CB ASP A 109 2.620 -15.251 -5.058 1.00 1.80 C ATOM 1744 CG ASP A 109 1.437 -16.217 -4.974 1.00 2.41 C ATOM 1745 OD1 ASP A 109 0.820 -16.276 -3.923 1.00 3.20 O ATOM 1746 OD2 ASP A 109 1.167 -16.882 -5.960 1.00 2.24 O ATOM 0 H ASP A 109 1.676 -14.936 -2.753 1.00 1.17 H new ATOM 0 HA ASP A 109 4.000 -16.344 -3.817 1.00 1.37 H new ATOM 0 HB2 ASP A 109 2.260 -14.227 -5.157 1.00 1.80 H new ATOM 0 HB3 ASP A 109 3.217 -15.467 -5.944 1.00 1.80 H new ATOM 1751 N GLN A 110 4.812 -13.673 -4.887 1.00 0.88 N ATOM 1752 CA GLN A 110 5.803 -12.561 -4.910 1.00 0.66 C ATOM 1753 C GLN A 110 5.440 -11.578 -6.025 1.00 0.56 C ATOM 1754 O GLN A 110 4.886 -11.951 -7.039 1.00 0.59 O ATOM 1755 CB GLN A 110 7.202 -13.128 -5.164 1.00 0.81 C ATOM 1756 CG GLN A 110 8.206 -11.979 -5.278 1.00 1.12 C ATOM 1757 CD GLN A 110 9.624 -12.518 -5.082 1.00 1.00 C ATOM 1758 OE1 GLN A 110 10.237 -13.000 -6.014 1.00 1.89 O ATOM 1759 NE2 GLN A 110 10.174 -12.458 -3.900 1.00 0.77 N ATOM 0 H GLN A 110 4.419 -13.924 -5.794 1.00 0.88 H new ATOM 0 HA GLN A 110 5.791 -12.043 -3.951 1.00 0.66 H new ATOM 0 HB2 GLN A 110 7.488 -13.796 -4.351 1.00 0.81 H new ATOM 0 HB3 GLN A 110 7.205 -13.720 -6.079 1.00 0.81 H new ATOM 0 HG2 GLN A 110 8.119 -11.502 -6.254 1.00 1.12 H new ATOM 0 HG3 GLN A 110 7.989 -11.217 -4.530 1.00 1.12 H new ATOM 0 HE21 GLN A 110 9.659 -12.053 -3.118 1.00 0.77 H new ATOM 0 HE22 GLN A 110 11.119 -12.816 -3.758 1.00 0.77 H new ATOM 1768 N SER A 111 5.750 -10.322 -5.846 1.00 0.46 N ATOM 1769 CA SER A 111 5.422 -9.318 -6.897 1.00 0.41 C ATOM 1770 C SER A 111 6.308 -8.084 -6.716 1.00 0.28 C ATOM 1771 O SER A 111 6.863 -7.855 -5.660 1.00 0.22 O ATOM 1772 CB SER A 111 3.953 -8.913 -6.774 1.00 0.55 C ATOM 1773 OG SER A 111 3.589 -8.880 -5.399 1.00 0.61 O ATOM 0 H SER A 111 6.215 -9.949 -5.019 1.00 0.46 H new ATOM 0 HA SER A 111 5.598 -9.751 -7.882 1.00 0.41 H new ATOM 0 HB2 SER A 111 3.794 -7.935 -7.228 1.00 0.55 H new ATOM 0 HB3 SER A 111 3.322 -9.620 -7.312 1.00 0.55 H new ATOM 0 HG SER A 111 2.648 -8.619 -5.316 1.00 0.61 H new ATOM 1779 N THR A 112 6.445 -7.286 -7.739 1.00 0.26 N ATOM 1780 CA THR A 112 7.294 -6.066 -7.626 1.00 0.15 C ATOM 1781 C THR A 112 6.451 -4.905 -7.095 1.00 0.14 C ATOM 1782 O THR A 112 5.287 -4.774 -7.416 1.00 0.20 O ATOM 1783 CB THR A 112 7.853 -5.703 -9.003 1.00 0.19 C ATOM 1784 OG1 THR A 112 6.786 -5.618 -9.937 1.00 0.38 O ATOM 1785 CG2 THR A 112 8.843 -6.778 -9.454 1.00 0.11 C ATOM 0 H THR A 112 6.006 -7.426 -8.649 1.00 0.26 H new ATOM 0 HA THR A 112 8.118 -6.260 -6.940 1.00 0.15 H new ATOM 0 HB THR A 112 8.365 -4.742 -8.946 1.00 0.19 H new ATOM 0 HG1 THR A 112 7.142 -5.384 -10.820 1.00 0.38 H new ATOM 0 HG21 THR A 112 9.240 -6.518 -10.435 1.00 0.11 H new ATOM 0 HG22 THR A 112 9.661 -6.843 -8.737 1.00 0.11 H new ATOM 0 HG23 THR A 112 8.334 -7.740 -9.512 1.00 0.11 H new ATOM 1793 N LEU A 113 7.029 -4.062 -6.284 1.00 0.09 N ATOM 1794 CA LEU A 113 6.259 -2.911 -5.733 1.00 0.09 C ATOM 1795 C LEU A 113 5.506 -2.216 -6.870 1.00 0.10 C ATOM 1796 O LEU A 113 4.460 -1.632 -6.668 1.00 0.13 O ATOM 1797 CB LEU A 113 7.227 -1.920 -5.076 1.00 0.08 C ATOM 1798 CG LEU A 113 6.442 -0.793 -4.392 1.00 0.10 C ATOM 1799 CD1 LEU A 113 5.591 -1.359 -3.249 1.00 0.22 C ATOM 1800 CD2 LEU A 113 7.423 0.236 -3.827 1.00 0.10 C ATOM 0 H LEU A 113 8.001 -4.120 -5.979 1.00 0.09 H new ATOM 0 HA LEU A 113 5.546 -3.268 -4.990 1.00 0.09 H new ATOM 0 HB2 LEU A 113 7.848 -2.437 -4.345 1.00 0.08 H new ATOM 0 HB3 LEU A 113 7.898 -1.503 -5.827 1.00 0.08 H new ATOM 0 HG LEU A 113 5.787 -0.321 -5.125 1.00 0.10 H new ATOM 0 HD11 LEU A 113 5.039 -0.550 -2.771 1.00 0.22 H new ATOM 0 HD12 LEU A 113 4.889 -2.092 -3.647 1.00 0.22 H new ATOM 0 HD13 LEU A 113 6.239 -1.838 -2.515 1.00 0.22 H new ATOM 0 HD21 LEU A 113 6.868 1.038 -3.340 1.00 0.10 H new ATOM 0 HD22 LEU A 113 8.077 -0.246 -3.100 1.00 0.10 H new ATOM 0 HD23 LEU A 113 8.023 0.650 -4.637 1.00 0.10 H new ATOM 1812 N GLU A 114 6.030 -2.274 -8.064 1.00 0.08 N ATOM 1813 CA GLU A 114 5.342 -1.618 -9.211 1.00 0.09 C ATOM 1814 C GLU A 114 4.054 -2.377 -9.535 1.00 0.13 C ATOM 1815 O GLU A 114 2.965 -1.918 -9.255 1.00 0.16 O ATOM 1816 CB GLU A 114 6.264 -1.630 -10.433 1.00 0.07 C ATOM 1817 CG GLU A 114 5.752 -0.629 -11.469 1.00 0.25 C ATOM 1818 CD GLU A 114 6.705 -0.598 -12.665 1.00 0.41 C ATOM 1819 OE1 GLU A 114 6.935 -1.647 -13.243 1.00 1.41 O ATOM 1820 OE2 GLU A 114 7.191 0.476 -12.982 1.00 1.02 O ATOM 0 H GLU A 114 6.904 -2.747 -8.294 1.00 0.08 H new ATOM 0 HA GLU A 114 5.100 -0.588 -8.949 1.00 0.09 H new ATOM 0 HB2 GLU A 114 7.281 -1.374 -10.137 1.00 0.07 H new ATOM 0 HB3 GLU A 114 6.300 -2.630 -10.865 1.00 0.07 H new ATOM 0 HG2 GLU A 114 4.750 -0.909 -11.796 1.00 0.25 H new ATOM 0 HG3 GLU A 114 5.677 0.364 -11.025 1.00 0.25 H new ATOM 1827 N ASN A 115 4.169 -3.537 -10.123 1.00 0.13 N ATOM 1828 CA ASN A 115 2.950 -4.322 -10.462 1.00 0.17 C ATOM 1829 C ASN A 115 2.061 -4.442 -9.222 1.00 0.17 C ATOM 1830 O ASN A 115 0.868 -4.224 -9.280 1.00 0.25 O ATOM 1831 CB ASN A 115 3.359 -5.720 -10.934 1.00 0.19 C ATOM 1832 CG ASN A 115 3.855 -5.647 -12.379 1.00 0.38 C ATOM 1833 OD1 ASN A 115 4.884 -6.203 -12.709 1.00 0.61 O ATOM 1834 ND2 ASN A 115 3.160 -4.981 -13.261 1.00 1.63 N ATOM 0 H ASN A 115 5.054 -3.974 -10.383 1.00 0.13 H new ATOM 0 HA ASN A 115 2.400 -3.817 -11.256 1.00 0.17 H new ATOM 0 HB2 ASN A 115 4.143 -6.118 -10.289 1.00 0.19 H new ATOM 0 HB3 ASN A 115 2.511 -6.402 -10.863 1.00 0.19 H new ATOM 0 HD21 ASN A 115 3.481 -4.927 -14.228 1.00 1.63 H new ATOM 0 HD22 ASN A 115 2.296 -4.515 -12.983 1.00 1.63 H new ATOM 1841 N PHE A 116 2.635 -4.786 -8.102 1.00 0.08 N ATOM 1842 CA PHE A 116 1.823 -4.917 -6.859 1.00 0.07 C ATOM 1843 C PHE A 116 0.918 -3.692 -6.711 1.00 0.07 C ATOM 1844 O PHE A 116 -0.248 -3.806 -6.392 1.00 0.10 O ATOM 1845 CB PHE A 116 2.756 -5.012 -5.649 1.00 0.06 C ATOM 1846 CG PHE A 116 1.948 -4.894 -4.378 1.00 0.15 C ATOM 1847 CD1 PHE A 116 1.567 -3.633 -3.907 1.00 0.22 C ATOM 1848 CD2 PHE A 116 1.584 -6.046 -3.672 1.00 0.23 C ATOM 1849 CE1 PHE A 116 0.819 -3.524 -2.728 1.00 0.31 C ATOM 1850 CE2 PHE A 116 0.836 -5.937 -2.493 1.00 0.33 C ATOM 1851 CZ PHE A 116 0.454 -4.676 -2.022 1.00 0.35 C ATOM 0 H PHE A 116 3.630 -4.982 -7.994 1.00 0.08 H new ATOM 0 HA PHE A 116 1.210 -5.817 -6.917 1.00 0.07 H new ATOM 0 HB2 PHE A 116 3.293 -5.960 -5.664 1.00 0.06 H new ATOM 0 HB3 PHE A 116 3.505 -4.221 -5.691 1.00 0.06 H new ATOM 0 HD1 PHE A 116 1.849 -2.744 -4.452 1.00 0.22 H new ATOM 0 HD2 PHE A 116 1.880 -7.019 -4.036 1.00 0.23 H new ATOM 0 HE1 PHE A 116 0.524 -2.551 -2.364 1.00 0.31 H new ATOM 0 HE2 PHE A 116 0.554 -6.826 -1.948 1.00 0.33 H new ATOM 0 HZ PHE A 116 -0.123 -4.592 -1.113 1.00 0.35 H new ATOM 1861 N LEU A 117 1.447 -2.522 -6.941 1.00 0.10 N ATOM 1862 CA LEU A 117 0.616 -1.291 -6.814 1.00 0.11 C ATOM 1863 C LEU A 117 -0.444 -1.277 -7.918 1.00 0.16 C ATOM 1864 O LEU A 117 -1.538 -0.781 -7.735 1.00 0.30 O ATOM 1865 CB LEU A 117 1.509 -0.056 -6.949 1.00 0.18 C ATOM 1866 CG LEU A 117 1.921 0.435 -5.559 1.00 0.24 C ATOM 1867 CD1 LEU A 117 3.169 1.311 -5.677 1.00 0.25 C ATOM 1868 CD2 LEU A 117 0.782 1.256 -4.945 1.00 0.39 C ATOM 0 H LEU A 117 2.418 -2.365 -7.211 1.00 0.10 H new ATOM 0 HA LEU A 117 0.128 -1.281 -5.840 1.00 0.11 H new ATOM 0 HB2 LEU A 117 2.394 -0.298 -7.537 1.00 0.18 H new ATOM 0 HB3 LEU A 117 0.978 0.733 -7.482 1.00 0.18 H new ATOM 0 HG LEU A 117 2.135 -0.423 -4.922 1.00 0.24 H new ATOM 0 HD11 LEU A 117 3.463 1.661 -4.687 1.00 0.25 H new ATOM 0 HD12 LEU A 117 3.982 0.730 -6.112 1.00 0.25 H new ATOM 0 HD13 LEU A 117 2.953 2.168 -6.315 1.00 0.25 H new ATOM 0 HD21 LEU A 117 1.077 1.605 -3.955 1.00 0.39 H new ATOM 0 HD22 LEU A 117 0.567 2.113 -5.583 1.00 0.39 H new ATOM 0 HD23 LEU A 117 -0.109 0.635 -4.860 1.00 0.39 H new ATOM 1880 N GLU A 118 -0.130 -1.820 -9.062 1.00 0.17 N ATOM 1881 CA GLU A 118 -1.119 -1.837 -10.175 1.00 0.21 C ATOM 1882 C GLU A 118 -2.334 -2.673 -9.765 1.00 0.21 C ATOM 1883 O GLU A 118 -3.418 -2.160 -9.576 1.00 0.28 O ATOM 1884 CB GLU A 118 -0.476 -2.451 -11.420 1.00 0.27 C ATOM 1885 CG GLU A 118 -1.364 -2.186 -12.638 1.00 0.43 C ATOM 1886 CD GLU A 118 -1.463 -3.457 -13.484 1.00 2.12 C ATOM 1887 OE1 GLU A 118 -0.513 -3.750 -14.190 1.00 2.35 O ATOM 1888 OE2 GLU A 118 -2.488 -4.115 -13.410 1.00 3.48 O ATOM 0 H GLU A 118 0.769 -2.253 -9.274 1.00 0.17 H new ATOM 0 HA GLU A 118 -1.436 -0.817 -10.394 1.00 0.21 H new ATOM 0 HB2 GLU A 118 0.514 -2.024 -11.579 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -0.342 -3.524 -11.281 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -2.357 -1.873 -12.316 1.00 0.43 H new ATOM 0 HG3 GLU A 118 -0.950 -1.372 -13.233 1.00 0.43 H new ATOM 1895 N ARG A 119 -2.161 -3.959 -9.624 1.00 0.19 N ATOM 1896 CA ARG A 119 -3.304 -4.826 -9.225 1.00 0.22 C ATOM 1897 C ARG A 119 -4.020 -4.204 -8.024 1.00 0.21 C ATOM 1898 O ARG A 119 -5.228 -4.264 -7.909 1.00 0.24 O ATOM 1899 CB ARG A 119 -2.786 -6.214 -8.847 1.00 0.26 C ATOM 1900 CG ARG A 119 -1.742 -6.086 -7.736 1.00 0.21 C ATOM 1901 CD ARG A 119 -1.047 -7.433 -7.528 1.00 0.30 C ATOM 1902 NE ARG A 119 -2.042 -8.533 -7.677 1.00 1.03 N ATOM 1903 CZ ARG A 119 -1.635 -9.762 -7.840 1.00 1.21 C ATOM 1904 NH1 ARG A 119 -0.358 -10.028 -7.872 1.00 0.74 N ATOM 1905 NH2 ARG A 119 -2.506 -10.726 -7.970 1.00 1.88 N ATOM 0 H ARG A 119 -1.277 -4.446 -9.768 1.00 0.19 H new ATOM 0 HA ARG A 119 -4.001 -4.914 -10.059 1.00 0.22 H new ATOM 0 HB2 ARG A 119 -3.611 -6.843 -8.514 1.00 0.26 H new ATOM 0 HB3 ARG A 119 -2.347 -6.699 -9.719 1.00 0.26 H new ATOM 0 HG2 ARG A 119 -1.009 -5.324 -7.998 1.00 0.21 H new ATOM 0 HG3 ARG A 119 -2.219 -5.764 -6.810 1.00 0.21 H new ATOM 0 HD2 ARG A 119 -0.242 -7.555 -8.253 1.00 0.30 H new ATOM 0 HD3 ARG A 119 -0.592 -7.471 -6.538 1.00 0.30 H new ATOM 0 HE ARG A 119 -3.040 -8.325 -7.652 1.00 1.03 H new ATOM 0 HH11 ARG A 119 0.322 -9.275 -7.770 1.00 0.74 H new ATOM 0 HH12 ARG A 119 -0.040 -10.989 -7.999 1.00 0.74 H new ATOM 0 HH21 ARG A 119 -3.504 -10.518 -7.944 1.00 1.88 H new ATOM 0 HH22 ARG A 119 -2.188 -11.687 -8.097 1.00 1.88 H new ATOM 1919 N LEU A 120 -3.284 -3.606 -7.127 1.00 0.20 N ATOM 1920 CA LEU A 120 -3.923 -2.980 -5.935 1.00 0.23 C ATOM 1921 C LEU A 120 -4.818 -1.827 -6.392 1.00 0.21 C ATOM 1922 O LEU A 120 -6.010 -1.823 -6.156 1.00 0.22 O ATOM 1923 CB LEU A 120 -2.835 -2.448 -4.997 1.00 0.27 C ATOM 1924 CG LEU A 120 -3.400 -2.277 -3.582 1.00 0.35 C ATOM 1925 CD1 LEU A 120 -2.277 -1.849 -2.635 1.00 0.41 C ATOM 1926 CD2 LEU A 120 -4.495 -1.205 -3.581 1.00 0.35 C ATOM 0 H LEU A 120 -2.268 -3.524 -7.168 1.00 0.20 H new ATOM 0 HA LEU A 120 -4.525 -3.720 -5.407 1.00 0.23 H new ATOM 0 HB2 LEU A 120 -1.990 -3.136 -4.979 1.00 0.27 H new ATOM 0 HB3 LEU A 120 -2.460 -1.493 -5.366 1.00 0.27 H new ATOM 0 HG LEU A 120 -3.824 -3.225 -3.251 1.00 0.35 H new ATOM 0 HD11 LEU A 120 -2.677 -1.727 -1.628 1.00 0.41 H new ATOM 0 HD12 LEU A 120 -1.498 -2.611 -2.626 1.00 0.41 H new ATOM 0 HD13 LEU A 120 -1.855 -0.903 -2.975 1.00 0.41 H new ATOM 0 HD21 LEU A 120 -4.891 -1.090 -2.572 1.00 0.35 H new ATOM 0 HD22 LEU A 120 -4.076 -0.256 -3.917 1.00 0.35 H new ATOM 0 HD23 LEU A 120 -5.298 -1.505 -4.254 1.00 0.35 H new ATOM 1938 N LYS A 121 -4.254 -0.847 -7.045 1.00 0.19 N ATOM 1939 CA LYS A 121 -5.073 0.304 -7.515 1.00 0.20 C ATOM 1940 C LYS A 121 -6.241 -0.213 -8.359 1.00 0.17 C ATOM 1941 O LYS A 121 -7.337 0.308 -8.305 1.00 0.29 O ATOM 1942 CB LYS A 121 -4.206 1.237 -8.363 1.00 0.20 C ATOM 1943 CG LYS A 121 -5.017 2.472 -8.758 1.00 0.28 C ATOM 1944 CD LYS A 121 -4.133 3.429 -9.558 1.00 0.34 C ATOM 1945 CE LYS A 121 -4.688 3.572 -10.977 1.00 1.02 C ATOM 1946 NZ LYS A 121 -6.010 4.257 -10.927 1.00 2.49 N ATOM 0 H LYS A 121 -3.261 -0.795 -7.273 1.00 0.19 H new ATOM 0 HA LYS A 121 -5.459 0.850 -6.654 1.00 0.20 H new ATOM 0 HB2 LYS A 121 -3.320 1.535 -7.803 1.00 0.20 H new ATOM 0 HB3 LYS A 121 -3.859 0.716 -9.256 1.00 0.20 H new ATOM 0 HG2 LYS A 121 -5.882 2.177 -9.352 1.00 0.28 H new ATOM 0 HG3 LYS A 121 -5.397 2.971 -7.867 1.00 0.28 H new ATOM 0 HD2 LYS A 121 -4.099 4.403 -9.070 1.00 0.34 H new ATOM 0 HD3 LYS A 121 -3.110 3.053 -9.592 1.00 0.34 H new ATOM 0 HE2 LYS A 121 -3.994 4.142 -11.594 1.00 1.02 H new ATOM 0 HE3 LYS A 121 -4.792 2.590 -11.439 1.00 1.02 H new ATOM 0 HZ1 LYS A 121 -6.051 4.987 -11.667 1.00 2.49 H new ATOM 0 HZ2 LYS A 121 -6.767 3.562 -11.084 1.00 2.49 H new ATOM 0 HZ3 LYS A 121 -6.136 4.702 -9.995 1.00 2.49 H new ATOM 1960 N THR A 122 -6.014 -1.236 -9.137 1.00 0.06 N ATOM 1961 CA THR A 122 -7.111 -1.786 -9.983 1.00 0.07 C ATOM 1962 C THR A 122 -8.196 -2.383 -9.085 1.00 0.08 C ATOM 1963 O THR A 122 -9.360 -2.048 -9.192 1.00 0.10 O ATOM 1964 CB THR A 122 -6.552 -2.875 -10.900 1.00 0.12 C ATOM 1965 OG1 THR A 122 -5.341 -2.420 -11.488 1.00 0.18 O ATOM 1966 CG2 THR A 122 -7.567 -3.192 -11.999 1.00 0.18 C ATOM 0 H THR A 122 -5.117 -1.714 -9.223 1.00 0.06 H new ATOM 0 HA THR A 122 -7.539 -0.987 -10.588 1.00 0.07 H new ATOM 0 HB THR A 122 -6.359 -3.776 -10.318 1.00 0.12 H new ATOM 0 HG1 THR A 122 -4.616 -2.479 -10.831 1.00 0.18 H new ATOM 0 HG21 THR A 122 -7.167 -3.968 -12.651 1.00 0.18 H new ATOM 0 HG22 THR A 122 -8.495 -3.541 -11.547 1.00 0.18 H new ATOM 0 HG23 THR A 122 -7.763 -2.293 -12.583 1.00 0.18 H new ATOM 1974 N ILE A 123 -7.826 -3.267 -8.199 1.00 0.11 N ATOM 1975 CA ILE A 123 -8.837 -3.884 -7.295 1.00 0.16 C ATOM 1976 C ILE A 123 -9.619 -2.782 -6.577 1.00 0.12 C ATOM 1977 O ILE A 123 -10.834 -2.776 -6.567 1.00 0.27 O ATOM 1978 CB ILE A 123 -8.129 -4.762 -6.262 1.00 0.21 C ATOM 1979 CG1 ILE A 123 -7.536 -5.990 -6.958 1.00 0.13 C ATOM 1980 CG2 ILE A 123 -9.134 -5.216 -5.201 1.00 0.35 C ATOM 1981 CD1 ILE A 123 -6.448 -6.602 -6.075 1.00 0.13 C ATOM 0 H ILE A 123 -6.868 -3.588 -8.062 1.00 0.11 H new ATOM 0 HA ILE A 123 -9.524 -4.494 -7.881 1.00 0.16 H new ATOM 0 HB ILE A 123 -7.332 -4.191 -5.787 1.00 0.21 H new ATOM 0 HG12 ILE A 123 -8.318 -6.724 -7.151 1.00 0.13 H new ATOM 0 HG13 ILE A 123 -7.118 -5.707 -7.924 1.00 0.13 H new ATOM 0 HG21 ILE A 123 -8.629 -5.842 -4.465 1.00 0.35 H new ATOM 0 HG22 ILE A 123 -9.559 -4.343 -4.705 1.00 0.35 H new ATOM 0 HG23 ILE A 123 -9.932 -5.787 -5.676 1.00 0.35 H new ATOM 0 HD11 ILE A 123 -6.026 -7.476 -6.571 1.00 0.13 H new ATOM 0 HD12 ILE A 123 -5.662 -5.867 -5.904 1.00 0.13 H new ATOM 0 HD13 ILE A 123 -6.880 -6.900 -5.119 1.00 0.13 H new ATOM 1993 N MET A 124 -8.932 -1.849 -5.976 1.00 0.12 N ATOM 1994 CA MET A 124 -9.637 -0.748 -5.261 1.00 0.12 C ATOM 1995 C MET A 124 -10.708 -0.151 -6.174 1.00 0.13 C ATOM 1996 O MET A 124 -11.888 -0.222 -5.893 1.00 0.05 O ATOM 1997 CB MET A 124 -8.629 0.339 -4.878 1.00 0.19 C ATOM 1998 CG MET A 124 -7.964 -0.027 -3.550 1.00 0.27 C ATOM 1999 SD MET A 124 -6.482 0.984 -3.318 1.00 2.10 S ATOM 2000 CE MET A 124 -6.363 0.806 -1.522 1.00 1.41 C ATOM 0 H MET A 124 -7.913 -1.802 -5.949 1.00 0.12 H new ATOM 0 HA MET A 124 -10.107 -1.142 -4.360 1.00 0.12 H new ATOM 0 HB2 MET A 124 -7.875 0.442 -5.658 1.00 0.19 H new ATOM 0 HB3 MET A 124 -9.132 1.302 -4.792 1.00 0.19 H new ATOM 0 HG2 MET A 124 -8.660 0.134 -2.726 1.00 0.27 H new ATOM 0 HG3 MET A 124 -7.700 -1.085 -3.542 1.00 0.27 H new ATOM 0 HE1 MET A 124 -5.425 1.240 -1.175 1.00 1.41 H new ATOM 0 HE2 MET A 124 -7.199 1.322 -1.049 1.00 1.41 H new ATOM 0 HE3 MET A 124 -6.393 -0.251 -1.258 1.00 1.41 H new ATOM 2010 N ARG A 125 -10.308 0.436 -7.269 1.00 0.27 N ATOM 2011 CA ARG A 125 -11.305 1.036 -8.199 1.00 0.35 C ATOM 2012 C ARG A 125 -12.381 0.000 -8.531 1.00 0.33 C ATOM 2013 O ARG A 125 -13.516 0.337 -8.807 1.00 0.39 O ATOM 2014 CB ARG A 125 -10.604 1.475 -9.485 1.00 0.45 C ATOM 2015 CG ARG A 125 -10.331 2.979 -9.428 1.00 0.73 C ATOM 2016 CD ARG A 125 -9.246 3.339 -10.441 1.00 0.71 C ATOM 2017 NE ARG A 125 -9.721 3.016 -11.815 1.00 1.21 N ATOM 2018 CZ ARG A 125 -9.099 3.505 -12.853 1.00 1.91 C ATOM 2019 NH1 ARG A 125 -8.061 4.279 -12.686 1.00 1.88 N ATOM 2020 NH2 ARG A 125 -9.515 3.222 -14.057 1.00 2.85 N ATOM 0 H ARG A 125 -9.334 0.526 -7.559 1.00 0.27 H new ATOM 0 HA ARG A 125 -11.769 1.901 -7.726 1.00 0.35 H new ATOM 0 HB2 ARG A 125 -9.669 0.929 -9.607 1.00 0.45 H new ATOM 0 HB3 ARG A 125 -11.225 1.240 -10.349 1.00 0.45 H new ATOM 0 HG2 ARG A 125 -11.244 3.533 -9.645 1.00 0.73 H new ATOM 0 HG3 ARG A 125 -10.015 3.264 -8.424 1.00 0.73 H new ATOM 0 HD2 ARG A 125 -9.004 4.399 -10.369 1.00 0.71 H new ATOM 0 HD3 ARG A 125 -8.332 2.787 -10.222 1.00 0.71 H new ATOM 0 HE ARG A 125 -10.533 2.412 -11.945 1.00 1.21 H new ATOM 0 HH11 ARG A 125 -7.737 4.501 -11.745 1.00 1.88 H new ATOM 0 HH12 ARG A 125 -7.574 4.662 -13.497 1.00 1.88 H new ATOM 0 HH21 ARG A 125 -10.327 2.618 -14.187 1.00 2.85 H new ATOM 0 HH22 ARG A 125 -9.028 3.605 -14.868 1.00 2.85 H new ATOM 2034 N GLU A 126 -12.035 -1.257 -8.504 1.00 0.32 N ATOM 2035 CA GLU A 126 -13.039 -2.313 -8.815 1.00 0.39 C ATOM 2036 C GLU A 126 -14.101 -2.344 -7.715 1.00 0.41 C ATOM 2037 O GLU A 126 -15.278 -2.179 -7.970 1.00 0.56 O ATOM 2038 CB GLU A 126 -12.342 -3.673 -8.892 1.00 0.35 C ATOM 2039 CG GLU A 126 -12.973 -4.509 -10.007 1.00 0.55 C ATOM 2040 CD GLU A 126 -12.514 -5.962 -9.879 1.00 0.56 C ATOM 2041 OE1 GLU A 126 -11.319 -6.194 -9.950 1.00 1.42 O ATOM 2042 OE2 GLU A 126 -13.366 -6.820 -9.711 1.00 0.51 O ATOM 0 H GLU A 126 -11.100 -1.599 -8.280 1.00 0.32 H new ATOM 0 HA GLU A 126 -13.513 -2.095 -9.772 1.00 0.39 H new ATOM 0 HB2 GLU A 126 -11.277 -3.537 -9.083 1.00 0.35 H new ATOM 0 HB3 GLU A 126 -12.431 -4.193 -7.938 1.00 0.35 H new ATOM 0 HG2 GLU A 126 -14.060 -4.453 -9.947 1.00 0.55 H new ATOM 0 HG3 GLU A 126 -12.687 -4.111 -10.981 1.00 0.55 H new ATOM 2049 N LYS A 127 -13.695 -2.554 -6.493 1.00 0.30 N ATOM 2050 CA LYS A 127 -14.682 -2.594 -5.377 1.00 0.38 C ATOM 2051 C LYS A 127 -15.197 -1.179 -5.104 1.00 0.39 C ATOM 2052 O LYS A 127 -16.095 -0.978 -4.310 1.00 0.41 O ATOM 2053 CB LYS A 127 -14.007 -3.143 -4.118 1.00 0.38 C ATOM 2054 CG LYS A 127 -13.410 -4.520 -4.418 1.00 0.41 C ATOM 2055 CD LYS A 127 -13.233 -5.295 -3.112 1.00 0.43 C ATOM 2056 CE LYS A 127 -12.478 -6.596 -3.388 1.00 0.63 C ATOM 2057 NZ LYS A 127 -13.359 -7.533 -4.142 1.00 1.87 N ATOM 0 H LYS A 127 -12.723 -2.700 -6.219 1.00 0.30 H new ATOM 0 HA LYS A 127 -15.517 -3.239 -5.652 1.00 0.38 H new ATOM 0 HB2 LYS A 127 -13.225 -2.461 -3.785 1.00 0.38 H new ATOM 0 HB3 LYS A 127 -14.732 -3.218 -3.307 1.00 0.38 H new ATOM 0 HG2 LYS A 127 -14.063 -5.071 -5.095 1.00 0.41 H new ATOM 0 HG3 LYS A 127 -12.449 -4.410 -4.921 1.00 0.41 H new ATOM 0 HD2 LYS A 127 -12.685 -4.690 -2.390 1.00 0.43 H new ATOM 0 HD3 LYS A 127 -14.206 -5.513 -2.672 1.00 0.43 H new ATOM 0 HE2 LYS A 127 -11.574 -6.390 -3.961 1.00 0.63 H new ATOM 0 HE3 LYS A 127 -12.163 -7.052 -2.449 1.00 0.63 H new ATOM 0 HZ1 LYS A 127 -12.906 -8.467 -4.197 1.00 1.87 H new ATOM 0 HZ2 LYS A 127 -14.273 -7.620 -3.653 1.00 1.87 H new ATOM 0 HZ3 LYS A 127 -13.514 -7.166 -5.103 1.00 1.87 H new ATOM 2071 N TYR A 128 -14.636 -0.199 -5.756 1.00 0.39 N ATOM 2072 CA TYR A 128 -15.093 1.203 -5.535 1.00 0.40 C ATOM 2073 C TYR A 128 -16.385 1.447 -6.318 1.00 0.62 C ATOM 2074 O TYR A 128 -17.061 2.439 -6.125 1.00 0.44 O ATOM 2075 CB TYR A 128 -14.012 2.173 -6.016 1.00 0.22 C ATOM 2076 CG TYR A 128 -14.280 3.547 -5.451 1.00 0.20 C ATOM 2077 CD1 TYR A 128 -15.160 4.415 -6.108 1.00 0.38 C ATOM 2078 CD2 TYR A 128 -13.649 3.953 -4.269 1.00 0.41 C ATOM 2079 CE1 TYR A 128 -15.408 5.690 -5.584 1.00 0.53 C ATOM 2080 CE2 TYR A 128 -13.897 5.227 -3.746 1.00 0.56 C ATOM 2081 CZ TYR A 128 -14.776 6.095 -4.403 1.00 0.56 C ATOM 2082 OH TYR A 128 -15.021 7.352 -3.886 1.00 0.77 O ATOM 0 H TYR A 128 -13.881 -0.308 -6.433 1.00 0.39 H new ATOM 0 HA TYR A 128 -15.277 1.363 -4.473 1.00 0.40 H new ATOM 0 HB2 TYR A 128 -13.029 1.824 -5.700 1.00 0.22 H new ATOM 0 HB3 TYR A 128 -14.002 2.212 -7.105 1.00 0.22 H new ATOM 0 HD1 TYR A 128 -15.648 4.101 -7.019 1.00 0.38 H new ATOM 0 HD2 TYR A 128 -12.971 3.283 -3.761 1.00 0.41 H new ATOM 0 HE1 TYR A 128 -16.086 6.360 -6.091 1.00 0.53 H new ATOM 0 HE2 TYR A 128 -13.410 5.540 -2.835 1.00 0.56 H new ATOM 0 HH TYR A 128 -14.706 7.392 -2.959 1.00 0.77 H new