USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 554 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.221 K(o=-0.22,f=-0.88) USER MOD Set 2.1: A 14 MET CE :methyl -175:sc=-0.00164 (180deg=-0.0733) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -0.0385 X(o=-0.04,f=-0.073) USER MOD Set 3.1: A 8 ASN : amide:sc= 0.608 K(o=1.3,f=-1.4) USER MOD Set 3.2: A 25 LYS NZ :NH3+ -153:sc= 0.687 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -24:sc= 0.417 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0411 USER MOD Single : A 13 HIS : no HE2:sc= 1.03 K(o=1,f=-3.1!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 28 MET CE :methyl -179:sc= 0 (180deg=-0.00281) USER MOD Single : A 32 CYS SG : rot -170:sc= -0.577 USER MOD Single : A 33 ASN : amide:sc= 0.333 K(o=0.33,f=-5.6!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 175:sc= 1.31 (180deg=1.24) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -89:sc= 0.0517 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : A 59 CYS SG : rot -139:sc= -0.0522 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc=-0.00686 X(o=-0.0069,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 6.130 10.518 -1.545 1.00 0.00 N ATOM 102 CA THR A 7 6.097 10.562 -3.004 1.00 0.00 C ATOM 103 C THR A 7 5.418 9.312 -3.585 1.00 0.00 C ATOM 104 O THR A 7 5.541 8.213 -3.043 1.00 0.00 O ATOM 105 CB THR A 7 7.540 10.729 -3.550 1.00 0.00 C ATOM 106 OG1 THR A 7 8.500 10.053 -2.744 1.00 0.00 O ATOM 107 CG2 THR A 7 8.002 12.191 -3.608 1.00 0.00 C ATOM 0 HA THR A 7 5.502 11.420 -3.318 1.00 0.00 H new ATOM 0 HB THR A 7 7.488 10.306 -4.553 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.145 9.941 -1.837 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.019 12.236 -3.999 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.337 12.757 -4.260 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.979 12.620 -2.606 1.00 0.00 H new ATOM 115 N ASN A 8 4.703 9.503 -4.699 1.00 0.00 N ATOM 116 CA ASN A 8 4.159 8.446 -5.563 1.00 0.00 C ATOM 117 C ASN A 8 4.853 8.656 -6.893 1.00 0.00 C ATOM 118 O ASN A 8 4.937 9.795 -7.356 1.00 0.00 O ATOM 119 CB ASN A 8 2.628 8.542 -5.758 1.00 0.00 C ATOM 120 CG ASN A 8 1.824 7.715 -4.760 1.00 0.00 C ATOM 121 OD1 ASN A 8 2.149 7.651 -3.581 1.00 0.00 O ATOM 122 ND2 ASN A 8 0.739 7.094 -5.187 1.00 0.00 N ATOM 0 H ASN A 8 4.477 10.438 -5.039 1.00 0.00 H new ATOM 0 HA ASN A 8 4.331 7.465 -5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.326 9.586 -5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.379 8.217 -6.768 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.168 6.558 -4.534 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.473 7.150 -6.170 1.00 0.00 H new ATOM 129 N THR A 9 5.312 7.570 -7.499 1.00 0.00 N ATOM 130 CA THR A 9 5.939 7.589 -8.803 1.00 0.00 C ATOM 131 C THR A 9 5.035 6.812 -9.756 1.00 0.00 C ATOM 132 O THR A 9 4.409 5.832 -9.354 1.00 0.00 O ATOM 133 CB THR A 9 7.374 7.030 -8.702 1.00 0.00 C ATOM 134 OG1 THR A 9 8.109 7.774 -7.744 1.00 0.00 O ATOM 135 CG2 THR A 9 8.115 6.992 -10.046 1.00 0.00 C ATOM 0 H THR A 9 5.256 6.638 -7.087 1.00 0.00 H new ATOM 0 HA THR A 9 6.049 8.600 -9.194 1.00 0.00 H new ATOM 0 HB THR A 9 7.288 5.991 -8.382 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.019 7.416 -7.680 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.116 6.588 -9.898 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.568 6.359 -10.745 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.187 8.002 -10.450 1.00 0.00 H new ATOM 143 N TRP A 10 5.006 7.212 -11.023 1.00 0.00 N ATOM 144 CA TRP A 10 4.370 6.495 -12.119 1.00 0.00 C ATOM 145 C TRP A 10 5.343 6.494 -13.292 1.00 0.00 C ATOM 146 O TRP A 10 6.253 7.320 -13.343 1.00 0.00 O ATOM 147 CB TRP A 10 3.045 7.176 -12.487 1.00 0.00 C ATOM 148 CG TRP A 10 2.040 7.236 -11.379 1.00 0.00 C ATOM 149 CD1 TRP A 10 1.085 6.317 -11.142 1.00 0.00 C ATOM 150 CD2 TRP A 10 1.851 8.262 -10.364 1.00 0.00 C ATOM 151 NE1 TRP A 10 0.334 6.687 -10.044 1.00 0.00 N ATOM 152 CE2 TRP A 10 0.730 7.915 -9.559 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.497 9.478 -10.079 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.243 8.763 -8.553 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.014 10.340 -9.079 1.00 0.00 C ATOM 156 CH2 TRP A 10 0.878 9.996 -8.323 1.00 0.00 C ATOM 0 H TRP A 10 5.444 8.082 -11.325 1.00 0.00 H new ATOM 0 HA TRP A 10 4.137 5.468 -11.837 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.256 8.191 -12.823 1.00 0.00 H new ATOM 0 HB3 TRP A 10 2.603 6.647 -13.331 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.929 5.422 -11.725 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.417 6.124 -9.644 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.379 9.754 -10.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.612 8.471 -7.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.520 11.275 -8.889 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.497 10.673 -7.573 1.00 0.00 H new ATOM 167 N VAL A 11 5.143 5.593 -14.246 1.00 0.00 N ATOM 168 CA VAL A 11 5.840 5.603 -15.521 1.00 0.00 C ATOM 169 C VAL A 11 4.807 5.478 -16.643 1.00 0.00 C ATOM 170 O VAL A 11 3.811 4.763 -16.499 1.00 0.00 O ATOM 171 CB VAL A 11 6.975 4.557 -15.547 1.00 0.00 C ATOM 172 CG1 VAL A 11 6.471 3.114 -15.409 1.00 0.00 C ATOM 173 CG2 VAL A 11 7.842 4.701 -16.814 1.00 0.00 C ATOM 0 H VAL A 11 4.481 4.823 -14.151 1.00 0.00 H new ATOM 0 HA VAL A 11 6.358 6.549 -15.678 1.00 0.00 H new ATOM 0 HB VAL A 11 7.589 4.764 -14.671 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.318 2.429 -15.435 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.942 3.002 -14.462 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.794 2.885 -16.232 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.632 3.950 -16.802 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.221 4.559 -17.698 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.287 5.696 -16.839 1.00 0.00 H new ATOM 183 N LEU A 12 5.041 6.182 -17.750 1.00 0.00 N ATOM 184 CA LEU A 12 4.204 6.184 -18.936 1.00 0.00 C ATOM 185 C LEU A 12 5.081 5.928 -20.147 1.00 0.00 C ATOM 186 O LEU A 12 6.030 6.674 -20.372 1.00 0.00 O ATOM 187 CB LEU A 12 3.495 7.551 -19.054 1.00 0.00 C ATOM 188 CG LEU A 12 1.984 7.464 -19.280 1.00 0.00 C ATOM 189 CD1 LEU A 12 1.641 6.717 -20.573 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.298 6.818 -18.074 1.00 0.00 C ATOM 0 H LEU A 12 5.855 6.790 -17.843 1.00 0.00 H new ATOM 0 HA LEU A 12 3.445 5.404 -18.873 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.681 8.123 -18.145 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.941 8.108 -19.878 1.00 0.00 H new ATOM 0 HG LEU A 12 1.608 8.481 -19.389 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.558 6.678 -20.695 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.083 7.238 -21.422 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.037 5.703 -20.523 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.224 6.764 -18.252 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.692 5.813 -17.927 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.489 7.417 -17.183 1.00 0.00 H new ATOM 202 N HIS A 13 4.761 4.911 -20.939 1.00 0.00 N ATOM 203 CA HIS A 13 5.395 4.676 -22.223 1.00 0.00 C ATOM 204 C HIS A 13 4.622 5.473 -23.273 1.00 0.00 C ATOM 205 O HIS A 13 3.397 5.344 -23.353 1.00 0.00 O ATOM 206 CB HIS A 13 5.440 3.171 -22.522 1.00 0.00 C ATOM 207 CG HIS A 13 6.164 2.798 -23.794 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.287 3.400 -24.323 1.00 0.00 N ATOM 209 CD2 HIS A 13 5.856 1.739 -24.607 1.00 0.00 C ATOM 210 CE1 HIS A 13 7.647 2.716 -25.421 1.00 0.00 C ATOM 211 NE2 HIS A 13 6.804 1.691 -25.639 1.00 0.00 N ATOM 0 H HIS A 13 4.047 4.222 -20.702 1.00 0.00 H new ATOM 0 HA HIS A 13 6.432 5.013 -22.226 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.920 2.663 -21.685 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.418 2.796 -22.579 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.761 4.221 -23.946 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.027 1.059 -24.476 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.496 2.956 -26.043 1.00 0.00 H new ATOM 219 N MET A 14 5.305 6.320 -24.046 1.00 0.00 N ATOM 220 CA MET A 14 4.696 7.231 -25.003 1.00 0.00 C ATOM 221 C MET A 14 5.737 7.567 -26.068 1.00 0.00 C ATOM 222 O MET A 14 6.867 7.905 -25.728 1.00 0.00 O ATOM 223 CB MET A 14 4.223 8.489 -24.249 1.00 0.00 C ATOM 224 CG MET A 14 3.615 9.583 -25.134 1.00 0.00 C ATOM 225 SD MET A 14 3.423 11.189 -24.305 1.00 0.00 S ATOM 226 CE MET A 14 2.378 10.740 -22.889 1.00 0.00 C ATOM 0 H MET A 14 6.322 6.389 -24.019 1.00 0.00 H new ATOM 0 HA MET A 14 3.831 6.784 -25.493 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.484 8.192 -23.505 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.070 8.910 -23.707 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.244 9.714 -26.015 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.639 9.249 -25.486 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.104 11.640 -22.339 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.475 10.244 -23.246 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.927 10.066 -22.231 1.00 0.00 H new ATOM 236 N ASP A 15 5.354 7.490 -27.346 1.00 0.00 N ATOM 237 CA ASP A 15 6.171 7.896 -28.500 1.00 0.00 C ATOM 238 C ASP A 15 7.594 7.305 -28.478 1.00 0.00 C ATOM 239 O ASP A 15 8.583 7.964 -28.813 1.00 0.00 O ATOM 240 CB ASP A 15 6.122 9.423 -28.683 1.00 0.00 C ATOM 241 CG ASP A 15 6.738 9.873 -30.022 1.00 0.00 C ATOM 242 OD1 ASP A 15 6.477 9.231 -31.070 1.00 0.00 O ATOM 243 OD2 ASP A 15 7.434 10.918 -30.052 1.00 0.00 O ATOM 0 H ASP A 15 4.438 7.132 -27.617 1.00 0.00 H new ATOM 0 HA ASP A 15 5.729 7.458 -29.395 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.087 9.760 -28.631 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.655 9.902 -27.862 1.00 0.00 H new ATOM 248 N GLY A 16 7.702 6.040 -28.050 1.00 0.00 N ATOM 249 CA GLY A 16 8.959 5.299 -27.994 1.00 0.00 C ATOM 250 C GLY A 16 9.838 5.645 -26.786 1.00 0.00 C ATOM 251 O GLY A 16 10.897 5.036 -26.617 1.00 0.00 O ATOM 0 H GLY A 16 6.901 5.497 -27.728 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.738 4.232 -27.975 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.523 5.492 -28.907 1.00 0.00 H new ATOM 255 N GLU A 17 9.412 6.579 -25.933 1.00 0.00 N ATOM 256 CA GLU A 17 10.078 6.993 -24.710 1.00 0.00 C ATOM 257 C GLU A 17 9.318 6.463 -23.495 1.00 0.00 C ATOM 258 O GLU A 17 8.186 5.981 -23.605 1.00 0.00 O ATOM 259 CB GLU A 17 10.241 8.527 -24.683 1.00 0.00 C ATOM 260 CG GLU A 17 11.380 8.975 -25.605 1.00 0.00 C ATOM 261 CD GLU A 17 11.632 10.492 -25.504 1.00 0.00 C ATOM 262 OE1 GLU A 17 12.417 10.923 -24.624 1.00 0.00 O ATOM 263 OE2 GLU A 17 11.079 11.266 -26.325 1.00 0.00 O ATOM 0 H GLU A 17 8.544 7.091 -26.092 1.00 0.00 H new ATOM 0 HA GLU A 17 11.080 6.566 -24.676 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.310 9.001 -24.993 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.442 8.857 -23.664 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.292 8.437 -25.345 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.138 8.714 -26.635 1.00 0.00 H new ATOM 270 N ASN A 18 9.944 6.542 -22.320 1.00 0.00 N ATOM 271 CA ASN A 18 9.321 6.290 -21.032 1.00 0.00 C ATOM 272 C ASN A 18 9.475 7.554 -20.201 1.00 0.00 C ATOM 273 O ASN A 18 10.594 8.028 -20.002 1.00 0.00 O ATOM 274 CB ASN A 18 9.921 5.064 -20.326 1.00 0.00 C ATOM 275 CG ASN A 18 9.244 3.778 -20.787 1.00 0.00 C ATOM 276 OD1 ASN A 18 8.243 3.360 -20.216 1.00 0.00 O ATOM 277 ND2 ASN A 18 9.745 3.144 -21.836 1.00 0.00 N ATOM 0 H ASN A 18 10.930 6.792 -22.243 1.00 0.00 H new ATOM 0 HA ASN A 18 8.266 6.053 -21.169 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.990 5.009 -20.531 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.809 5.171 -19.247 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.297 2.295 -22.180 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.579 3.505 -22.300 1.00 0.00 H new ATOM 284 N PHE A 19 8.354 8.087 -19.720 1.00 0.00 N ATOM 285 CA PHE A 19 8.299 9.285 -18.897 1.00 0.00 C ATOM 286 C PHE A 19 8.019 8.845 -17.471 1.00 0.00 C ATOM 287 O PHE A 19 6.980 8.234 -17.217 1.00 0.00 O ATOM 288 CB PHE A 19 7.230 10.249 -19.436 1.00 0.00 C ATOM 289 CG PHE A 19 7.551 10.749 -20.830 1.00 0.00 C ATOM 290 CD1 PHE A 19 8.371 11.881 -21.002 1.00 0.00 C ATOM 291 CD2 PHE A 19 7.099 10.033 -21.954 1.00 0.00 C ATOM 292 CE1 PHE A 19 8.764 12.279 -22.293 1.00 0.00 C ATOM 293 CE2 PHE A 19 7.492 10.435 -23.243 1.00 0.00 C ATOM 294 CZ PHE A 19 8.333 11.548 -23.413 1.00 0.00 C ATOM 0 H PHE A 19 7.435 7.683 -19.899 1.00 0.00 H new ATOM 0 HA PHE A 19 9.243 9.830 -18.922 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.263 9.745 -19.448 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.138 11.099 -18.760 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.699 12.445 -20.141 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.452 9.177 -21.827 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.396 13.145 -22.423 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.146 9.886 -24.106 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.648 11.841 -24.404 1.00 0.00 H new ATOM 304 N ARG A 20 8.932 9.125 -16.542 1.00 0.00 N ATOM 305 CA ARG A 20 8.689 8.949 -15.121 1.00 0.00 C ATOM 306 C ARG A 20 8.037 10.206 -14.580 1.00 0.00 C ATOM 307 O ARG A 20 8.377 11.321 -14.974 1.00 0.00 O ATOM 308 CB ARG A 20 9.964 8.557 -14.362 1.00 0.00 C ATOM 309 CG ARG A 20 10.266 7.066 -14.595 1.00 0.00 C ATOM 310 CD ARG A 20 10.633 6.382 -13.281 1.00 0.00 C ATOM 311 NE ARG A 20 10.950 4.950 -13.463 1.00 0.00 N ATOM 312 CZ ARG A 20 11.272 4.092 -12.484 1.00 0.00 C ATOM 313 NH1 ARG A 20 11.329 4.509 -11.222 1.00 0.00 N ATOM 314 NH2 ARG A 20 11.528 2.819 -12.768 1.00 0.00 N ATOM 0 H ARG A 20 9.863 9.481 -16.760 1.00 0.00 H new ATOM 0 HA ARG A 20 8.006 8.113 -14.968 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.803 9.165 -14.701 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.839 8.751 -13.297 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.397 6.578 -15.035 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.085 6.962 -15.307 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.491 6.888 -12.838 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.806 6.482 -12.578 1.00 0.00 H new ATOM 0 HE ARG A 20 10.921 4.583 -14.414 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.128 5.483 -10.997 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.574 3.854 -10.479 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.480 2.492 -13.733 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.773 2.169 -12.021 1.00 0.00 H new ATOM 328 N ILE A 21 7.109 10.000 -13.664 1.00 0.00 N ATOM 329 CA ILE A 21 6.326 11.016 -12.991 1.00 0.00 C ATOM 330 C ILE A 21 6.594 10.789 -11.518 1.00 0.00 C ATOM 331 O ILE A 21 6.486 9.646 -11.092 1.00 0.00 O ATOM 332 CB ILE A 21 4.824 10.838 -13.288 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.533 10.800 -14.799 1.00 0.00 C ATOM 334 CG2 ILE A 21 3.932 11.851 -12.543 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.813 12.080 -15.582 1.00 0.00 C ATOM 0 H ILE A 21 6.868 9.059 -13.352 1.00 0.00 H new ATOM 0 HA ILE A 21 6.593 12.021 -13.319 1.00 0.00 H new ATOM 0 HB ILE A 21 4.554 9.861 -12.888 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.122 9.996 -15.239 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.484 10.539 -14.937 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.887 11.671 -12.796 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.070 11.736 -11.468 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.207 12.864 -12.838 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.568 11.925 -16.633 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.204 12.891 -15.183 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.868 12.340 -15.490 1.00 0.00 H new ATOM 347 N VAL A 22 6.873 11.821 -10.734 1.00 0.00 N ATOM 348 CA VAL A 22 6.925 11.732 -9.290 1.00 0.00 C ATOM 349 C VAL A 22 6.131 12.915 -8.764 1.00 0.00 C ATOM 350 O VAL A 22 6.466 14.061 -9.051 1.00 0.00 O ATOM 351 CB VAL A 22 8.376 11.697 -8.767 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.404 11.442 -7.252 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.230 10.621 -9.447 1.00 0.00 C ATOM 0 H VAL A 22 7.072 12.755 -11.093 1.00 0.00 H new ATOM 0 HA VAL A 22 6.489 10.799 -8.934 1.00 0.00 H new ATOM 0 HB VAL A 22 8.798 12.674 -9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.437 11.421 -6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.865 12.238 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.930 10.485 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.240 10.645 -9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.789 9.640 -9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.269 10.811 -10.520 1.00 0.00 H new ATOM 363 N LEU A 23 5.067 12.651 -8.009 1.00 0.00 N ATOM 364 CA LEU A 23 4.363 13.693 -7.272 1.00 0.00 C ATOM 365 C LEU A 23 5.018 13.832 -5.909 1.00 0.00 C ATOM 366 O LEU A 23 5.024 12.868 -5.143 1.00 0.00 O ATOM 367 CB LEU A 23 2.876 13.333 -7.117 1.00 0.00 C ATOM 368 CG LEU A 23 2.117 14.227 -6.103 1.00 0.00 C ATOM 369 CD1 LEU A 23 2.035 15.688 -6.550 1.00 0.00 C ATOM 370 CD2 LEU A 23 0.699 13.715 -5.856 1.00 0.00 C ATOM 0 H LEU A 23 4.673 11.717 -7.892 1.00 0.00 H new ATOM 0 HA LEU A 23 4.421 14.637 -7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.390 13.410 -8.090 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.795 12.293 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 23 2.696 14.176 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.493 16.267 -5.802 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.041 16.091 -6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.512 15.748 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.197 14.366 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.145 13.712 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.742 12.702 -5.457 1.00 0.00 H new ATOM 382 N GLU A 24 5.529 15.017 -5.594 1.00 0.00 N ATOM 383 CA GLU A 24 5.968 15.376 -4.261 1.00 0.00 C ATOM 384 C GLU A 24 4.711 15.811 -3.516 1.00 0.00 C ATOM 385 O GLU A 24 4.110 16.829 -3.867 1.00 0.00 O ATOM 386 CB GLU A 24 7.026 16.493 -4.358 1.00 0.00 C ATOM 387 CG GLU A 24 8.342 16.033 -3.734 1.00 0.00 C ATOM 388 CD GLU A 24 8.323 16.044 -2.190 1.00 0.00 C ATOM 389 OE1 GLU A 24 7.323 15.602 -1.576 1.00 0.00 O ATOM 390 OE2 GLU A 24 9.325 16.509 -1.594 1.00 0.00 O ATOM 0 H GLU A 24 5.650 15.766 -6.276 1.00 0.00 H new ATOM 0 HA GLU A 24 6.444 14.553 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.185 16.762 -5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.668 17.388 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.567 15.024 -4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.148 16.678 -4.085 1.00 0.00 H new ATOM 397 N LYS A 25 4.270 15.031 -2.527 1.00 0.00 N ATOM 398 CA LYS A 25 2.975 15.252 -1.882 1.00 0.00 C ATOM 399 C LYS A 25 3.019 16.467 -0.958 1.00 0.00 C ATOM 400 O LYS A 25 1.985 17.090 -0.732 1.00 0.00 O ATOM 401 CB LYS A 25 2.565 14.010 -1.090 1.00 0.00 C ATOM 402 CG LYS A 25 2.271 12.807 -2.001 1.00 0.00 C ATOM 403 CD LYS A 25 2.088 11.553 -1.141 1.00 0.00 C ATOM 404 CE LYS A 25 1.666 10.347 -1.997 1.00 0.00 C ATOM 405 NZ LYS A 25 1.516 9.095 -1.189 1.00 0.00 N ATOM 0 H LYS A 25 4.793 14.238 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 25 2.238 15.444 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.360 13.748 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.680 14.237 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.372 12.993 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.089 12.662 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.019 11.326 -0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.335 11.740 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.722 10.571 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.407 10.184 -2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.686 8.268 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.205 9.100 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.553 9.046 -0.800 1.00 0.00 H new ATOM 419 N ASP A 26 4.197 16.810 -0.423 1.00 0.00 N ATOM 420 CA ASP A 26 4.341 17.943 0.489 1.00 0.00 C ATOM 421 C ASP A 26 4.058 19.262 -0.236 1.00 0.00 C ATOM 422 O ASP A 26 3.341 20.121 0.285 1.00 0.00 O ATOM 423 CB ASP A 26 5.746 17.978 1.093 1.00 0.00 C ATOM 424 CG ASP A 26 5.900 19.196 2.022 1.00 0.00 C ATOM 425 OD1 ASP A 26 5.355 19.171 3.153 1.00 0.00 O ATOM 426 OD2 ASP A 26 6.574 20.178 1.629 1.00 0.00 O ATOM 0 H ASP A 26 5.068 16.313 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 26 3.615 17.818 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.932 17.061 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.490 18.023 0.298 1.00 0.00 H new ATOM 431 N ALA A 27 4.595 19.400 -1.456 1.00 0.00 N ATOM 432 CA ALA A 27 4.468 20.589 -2.282 1.00 0.00 C ATOM 433 C ALA A 27 3.315 20.494 -3.296 1.00 0.00 C ATOM 434 O ALA A 27 2.940 21.515 -3.875 1.00 0.00 O ATOM 435 CB ALA A 27 5.805 20.827 -2.998 1.00 0.00 C ATOM 0 H ALA A 27 5.143 18.663 -1.899 1.00 0.00 H new ATOM 0 HA ALA A 27 4.225 21.432 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.729 21.716 -3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.593 20.969 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.043 19.965 -3.621 1.00 0.00 H new ATOM 441 N MET A 28 2.763 19.291 -3.511 1.00 0.00 N ATOM 442 CA MET A 28 1.827 18.977 -4.588 1.00 0.00 C ATOM 443 C MET A 28 2.422 19.421 -5.933 1.00 0.00 C ATOM 444 O MET A 28 1.758 20.070 -6.746 1.00 0.00 O ATOM 445 CB MET A 28 0.391 19.457 -4.301 1.00 0.00 C ATOM 446 CG MET A 28 -0.268 18.650 -3.172 1.00 0.00 C ATOM 447 SD MET A 28 -0.434 16.855 -3.443 1.00 0.00 S ATOM 448 CE MET A 28 -1.622 16.796 -4.815 1.00 0.00 C ATOM 0 H MET A 28 2.966 18.487 -2.917 1.00 0.00 H new ATOM 0 HA MET A 28 1.700 17.896 -4.651 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.408 20.513 -4.030 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.209 19.370 -5.207 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.309 18.805 -2.260 1.00 0.00 H new ATOM 0 HG3 MET A 28 -1.262 19.061 -2.994 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.829 15.757 -5.072 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.548 17.287 -4.516 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.203 17.308 -5.681 1.00 0.00 H new ATOM 458 N ASP A 29 3.703 19.096 -6.142 1.00 0.00 N ATOM 459 CA ASP A 29 4.476 19.469 -7.323 1.00 0.00 C ATOM 460 C ASP A 29 4.858 18.198 -8.068 1.00 0.00 C ATOM 461 O ASP A 29 5.159 17.184 -7.429 1.00 0.00 O ATOM 462 CB ASP A 29 5.732 20.263 -6.933 1.00 0.00 C ATOM 463 CG ASP A 29 6.356 21.043 -8.106 1.00 0.00 C ATOM 464 OD1 ASP A 29 5.870 20.969 -9.258 1.00 0.00 O ATOM 465 OD2 ASP A 29 7.326 21.793 -7.844 1.00 0.00 O ATOM 0 H ASP A 29 4.243 18.549 -5.471 1.00 0.00 H new ATOM 0 HA ASP A 29 3.873 20.111 -7.965 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.477 20.963 -6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.475 19.576 -6.528 1.00 0.00 H new ATOM 470 N VAL A 30 4.835 18.227 -9.397 1.00 0.00 N ATOM 471 CA VAL A 30 5.071 17.054 -10.214 1.00 0.00 C ATOM 472 C VAL A 30 6.415 17.187 -10.931 1.00 0.00 C ATOM 473 O VAL A 30 6.634 18.095 -11.738 1.00 0.00 O ATOM 474 CB VAL A 30 3.846 16.775 -11.110 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.712 17.662 -12.353 1.00 0.00 C ATOM 476 CG2 VAL A 30 3.841 15.297 -11.525 1.00 0.00 C ATOM 0 H VAL A 30 4.650 19.073 -9.935 1.00 0.00 H new ATOM 0 HA VAL A 30 5.169 16.156 -9.604 1.00 0.00 H new ATOM 0 HB VAL A 30 2.982 17.025 -10.495 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.818 17.378 -12.908 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.635 18.706 -12.049 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.589 17.533 -12.988 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.976 15.100 -12.158 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.753 15.071 -12.077 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.790 14.669 -10.635 1.00 0.00 H new ATOM 486 N TRP A 31 7.329 16.275 -10.610 1.00 0.00 N ATOM 487 CA TRP A 31 8.575 16.081 -11.311 1.00 0.00 C ATOM 488 C TRP A 31 8.243 15.143 -12.472 1.00 0.00 C ATOM 489 O TRP A 31 7.932 13.975 -12.232 1.00 0.00 O ATOM 490 CB TRP A 31 9.604 15.447 -10.354 1.00 0.00 C ATOM 491 CG TRP A 31 9.681 15.992 -8.955 1.00 0.00 C ATOM 492 CD1 TRP A 31 9.161 15.430 -7.840 1.00 0.00 C ATOM 493 CD2 TRP A 31 10.369 17.185 -8.489 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.506 16.174 -6.736 1.00 0.00 N ATOM 495 CE2 TRP A 31 10.273 17.265 -7.069 1.00 0.00 C ATOM 496 CE3 TRP A 31 11.081 18.202 -9.138 1.00 0.00 C ATOM 497 CZ2 TRP A 31 10.874 18.294 -6.328 1.00 0.00 C ATOM 498 CZ3 TRP A 31 11.713 19.228 -8.408 1.00 0.00 C ATOM 499 CH2 TRP A 31 11.608 19.278 -7.007 1.00 0.00 C ATOM 0 H TRP A 31 7.209 15.633 -9.826 1.00 0.00 H new ATOM 0 HA TRP A 31 9.008 17.013 -11.675 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.389 14.381 -10.288 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.590 15.546 -10.808 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.564 14.531 -7.820 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.226 15.943 -5.783 1.00 0.00 H new ATOM 0 HE3 TRP A 31 11.147 18.200 -10.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 10.773 18.328 -5.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 12.283 19.983 -8.929 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.091 20.071 -6.455 1.00 0.00 H new ATOM 510 N CYS A 32 8.290 15.612 -13.714 1.00 0.00 N ATOM 511 CA CYS A 32 8.155 14.764 -14.890 1.00 0.00 C ATOM 512 C CYS A 32 9.543 14.699 -15.527 1.00 0.00 C ATOM 513 O CYS A 32 10.104 15.736 -15.885 1.00 0.00 O ATOM 514 CB CYS A 32 7.058 15.334 -15.793 1.00 0.00 C ATOM 515 SG CYS A 32 5.486 15.352 -14.874 1.00 0.00 S ATOM 0 H CYS A 32 8.424 16.599 -13.933 1.00 0.00 H new ATOM 0 HA CYS A 32 7.838 13.745 -14.668 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.319 16.343 -16.112 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.960 14.729 -16.695 1.00 0.00 H new ATOM 0 HG CYS A 32 4.511 15.634 -15.687 1.00 0.00 H new ATOM 521 N ASN A 33 10.129 13.497 -15.595 1.00 0.00 N ATOM 522 CA ASN A 33 11.537 13.259 -15.960 1.00 0.00 C ATOM 523 C ASN A 33 12.476 14.194 -15.177 1.00 0.00 C ATOM 524 O ASN A 33 13.425 14.761 -15.721 1.00 0.00 O ATOM 525 CB ASN A 33 11.754 13.253 -17.491 1.00 0.00 C ATOM 526 CG ASN A 33 11.342 11.943 -18.161 1.00 0.00 C ATOM 527 OD1 ASN A 33 10.850 11.021 -17.518 1.00 0.00 O ATOM 528 ND2 ASN A 33 11.538 11.819 -19.463 1.00 0.00 N ATOM 0 H ASN A 33 9.623 12.635 -15.392 1.00 0.00 H new ATOM 0 HA ASN A 33 11.807 12.249 -15.651 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.187 14.072 -17.933 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.806 13.444 -17.701 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.280 10.954 -19.937 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.947 12.589 -19.993 1.00 0.00 H new ATOM 535 N GLY A 34 12.179 14.387 -13.884 1.00 0.00 N ATOM 536 CA GLY A 34 12.975 15.195 -12.961 1.00 0.00 C ATOM 537 C GLY A 34 12.769 16.710 -13.092 1.00 0.00 C ATOM 538 O GLY A 34 13.240 17.448 -12.226 1.00 0.00 O ATOM 0 H GLY A 34 11.357 13.973 -13.444 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.736 14.897 -11.940 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.030 14.971 -13.120 1.00 0.00 H new ATOM 542 N LYS A 35 12.060 17.198 -14.118 1.00 0.00 N ATOM 543 CA LYS A 35 11.799 18.627 -14.314 1.00 0.00 C ATOM 544 C LYS A 35 10.435 18.963 -13.724 1.00 0.00 C ATOM 545 O LYS A 35 9.488 18.195 -13.905 1.00 0.00 O ATOM 546 CB LYS A 35 11.854 18.982 -15.810 1.00 0.00 C ATOM 547 CG LYS A 35 13.257 18.792 -16.407 1.00 0.00 C ATOM 548 CD LYS A 35 13.274 19.176 -17.896 1.00 0.00 C ATOM 549 CE LYS A 35 14.637 18.923 -18.564 1.00 0.00 C ATOM 550 NZ LYS A 35 15.706 19.852 -18.102 1.00 0.00 N ATOM 0 H LYS A 35 11.649 16.606 -14.840 1.00 0.00 H new ATOM 0 HA LYS A 35 12.564 19.215 -13.807 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.143 18.360 -16.354 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.541 20.017 -15.947 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.975 19.404 -15.861 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.569 17.754 -16.291 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.506 18.608 -18.421 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.015 20.230 -17.997 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.946 17.897 -18.363 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.526 19.017 -19.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.596 19.627 -18.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.431 20.832 -18.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.838 19.747 -17.076 1.00 0.00 H new ATOM 564 N LYS A 36 10.301 20.100 -13.039 1.00 0.00 N ATOM 565 CA LYS A 36 8.990 20.593 -12.628 1.00 0.00 C ATOM 566 C LYS A 36 8.266 21.073 -13.884 1.00 0.00 C ATOM 567 O LYS A 36 8.900 21.693 -14.747 1.00 0.00 O ATOM 568 CB LYS A 36 9.116 21.744 -11.618 1.00 0.00 C ATOM 569 CG LYS A 36 9.904 21.372 -10.349 1.00 0.00 C ATOM 570 CD LYS A 36 10.771 22.536 -9.849 1.00 0.00 C ATOM 571 CE LYS A 36 9.996 23.814 -9.484 1.00 0.00 C ATOM 572 NZ LYS A 36 9.269 23.701 -8.193 1.00 0.00 N ATOM 0 H LYS A 36 11.082 20.693 -12.759 1.00 0.00 H new ATOM 0 HA LYS A 36 8.433 19.795 -12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.604 22.589 -12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.118 22.074 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.208 21.075 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.538 20.510 -10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.328 22.204 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.503 22.780 -10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.691 24.652 -9.431 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.284 24.040 -10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.836 24.617 -7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.527 22.977 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.935 23.430 -7.442 1.00 0.00 H new ATOM 586 N LEU A 37 6.959 20.835 -13.990 1.00 0.00 N ATOM 587 CA LEU A 37 6.106 21.416 -15.019 1.00 0.00 C ATOM 588 C LEU A 37 4.797 21.904 -14.401 1.00 0.00 C ATOM 589 O LEU A 37 4.495 21.606 -13.242 1.00 0.00 O ATOM 590 CB LEU A 37 5.950 20.479 -16.222 1.00 0.00 C ATOM 591 CG LEU A 37 5.406 19.073 -15.943 1.00 0.00 C ATOM 592 CD1 LEU A 37 3.920 19.026 -15.581 1.00 0.00 C ATOM 593 CD2 LEU A 37 5.648 18.220 -17.192 1.00 0.00 C ATOM 0 H LEU A 37 6.457 20.221 -13.349 1.00 0.00 H new ATOM 0 HA LEU A 37 6.585 22.302 -15.437 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.290 20.961 -16.943 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.924 20.377 -16.700 1.00 0.00 H new ATOM 0 HG LEU A 37 5.933 18.694 -15.068 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.622 17.993 -15.400 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.746 19.616 -14.681 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.332 19.435 -16.403 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.270 17.212 -17.023 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.129 18.664 -18.042 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.717 18.177 -17.402 1.00 0.00 H new ATOM 605 N GLU A 38 4.053 22.711 -15.160 1.00 0.00 N ATOM 606 CA GLU A 38 2.874 23.400 -14.659 1.00 0.00 C ATOM 607 C GLU A 38 1.734 22.413 -14.376 1.00 0.00 C ATOM 608 O GLU A 38 1.541 21.431 -15.096 1.00 0.00 O ATOM 609 CB GLU A 38 2.461 24.546 -15.599 1.00 0.00 C ATOM 610 CG GLU A 38 1.990 24.103 -16.994 1.00 0.00 C ATOM 611 CD GLU A 38 1.672 25.321 -17.882 1.00 0.00 C ATOM 612 OE1 GLU A 38 0.517 25.814 -17.852 1.00 0.00 O ATOM 613 OE2 GLU A 38 2.569 25.788 -18.627 1.00 0.00 O ATOM 0 H GLU A 38 4.256 22.902 -16.141 1.00 0.00 H new ATOM 0 HA GLU A 38 3.123 23.861 -13.703 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.661 25.114 -15.125 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.307 25.223 -15.716 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.762 23.496 -17.466 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.104 23.476 -16.900 1.00 0.00 H new ATOM 620 N THR A 39 0.963 22.715 -13.332 1.00 0.00 N ATOM 621 CA THR A 39 -0.179 21.943 -12.864 1.00 0.00 C ATOM 622 C THR A 39 -1.340 22.904 -12.581 1.00 0.00 C ATOM 623 O THR A 39 -1.124 24.046 -12.160 1.00 0.00 O ATOM 624 CB THR A 39 0.200 21.109 -11.627 1.00 0.00 C ATOM 625 OG1 THR A 39 1.076 21.791 -10.736 1.00 0.00 O ATOM 626 CG2 THR A 39 0.880 19.799 -12.038 1.00 0.00 C ATOM 0 H THR A 39 1.129 23.546 -12.764 1.00 0.00 H new ATOM 0 HA THR A 39 -0.494 21.235 -13.631 1.00 0.00 H new ATOM 0 HB THR A 39 -0.741 20.917 -11.111 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.279 21.213 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.138 19.228 -11.146 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.200 19.215 -12.659 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.786 20.021 -12.602 1.00 0.00 H new ATOM 634 N ALA A 40 -2.569 22.430 -12.791 1.00 0.00 N ATOM 635 CA ALA A 40 -3.801 23.098 -12.378 1.00 0.00 C ATOM 636 C ALA A 40 -4.473 22.169 -11.377 1.00 0.00 C ATOM 637 O ALA A 40 -4.398 20.955 -11.561 1.00 0.00 O ATOM 638 CB ALA A 40 -4.692 23.375 -13.595 1.00 0.00 C ATOM 0 H ALA A 40 -2.738 21.544 -13.268 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.605 24.068 -11.920 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.606 23.873 -13.271 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.159 24.016 -14.298 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.945 22.434 -14.083 1.00 0.00 H new ATOM 644 N GLY A 41 -5.103 22.696 -10.330 1.00 0.00 N ATOM 645 CA GLY A 41 -5.717 21.899 -9.284 1.00 0.00 C ATOM 646 C GLY A 41 -7.199 22.215 -9.293 1.00 0.00 C ATOM 647 O GLY A 41 -7.586 23.332 -8.935 1.00 0.00 O ATOM 0 H GLY A 41 -5.200 23.701 -10.187 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.549 20.837 -9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.279 22.134 -8.314 1.00 0.00 H new ATOM 651 N GLU A 42 -8.012 21.256 -9.725 1.00 0.00 N ATOM 652 CA GLU A 42 -9.457 21.333 -9.628 1.00 0.00 C ATOM 653 C GLU A 42 -9.924 20.467 -8.465 1.00 0.00 C ATOM 654 O GLU A 42 -9.313 19.442 -8.154 1.00 0.00 O ATOM 655 CB GLU A 42 -10.140 20.940 -10.950 1.00 0.00 C ATOM 656 CG GLU A 42 -10.260 22.176 -11.848 1.00 0.00 C ATOM 657 CD GLU A 42 -11.011 21.888 -13.162 1.00 0.00 C ATOM 658 OE1 GLU A 42 -12.239 21.624 -13.119 1.00 0.00 O ATOM 659 OE2 GLU A 42 -10.396 21.983 -14.253 1.00 0.00 O ATOM 0 H GLU A 42 -7.677 20.395 -10.157 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.747 22.366 -9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.562 20.165 -11.454 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.128 20.523 -10.752 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.778 22.966 -11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.263 22.550 -12.079 1.00 0.00 H new ATOM 666 N PHE A 43 -11.018 20.878 -7.828 1.00 0.00 N ATOM 667 CA PHE A 43 -11.559 20.222 -6.641 1.00 0.00 C ATOM 668 C PHE A 43 -12.986 19.774 -6.943 1.00 0.00 C ATOM 669 O PHE A 43 -13.780 20.546 -7.492 1.00 0.00 O ATOM 670 CB PHE A 43 -11.512 21.169 -5.435 1.00 0.00 C ATOM 671 CG PHE A 43 -10.113 21.594 -5.021 1.00 0.00 C ATOM 672 CD1 PHE A 43 -9.385 20.831 -4.087 1.00 0.00 C ATOM 673 CD2 PHE A 43 -9.531 22.754 -5.573 1.00 0.00 C ATOM 674 CE1 PHE A 43 -8.094 21.230 -3.699 1.00 0.00 C ATOM 675 CE2 PHE A 43 -8.233 23.143 -5.196 1.00 0.00 C ATOM 676 CZ PHE A 43 -7.515 22.382 -4.257 1.00 0.00 C ATOM 0 H PHE A 43 -11.561 21.688 -8.127 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.956 19.350 -6.387 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.095 22.060 -5.666 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.996 20.682 -4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.820 19.936 -3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.084 23.346 -6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.546 20.650 -2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.788 24.027 -5.628 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.520 22.683 -3.965 1.00 0.00 H new ATOM 686 N VAL A 44 -13.308 18.538 -6.569 1.00 0.00 N ATOM 687 CA VAL A 44 -14.617 17.926 -6.714 1.00 0.00 C ATOM 688 C VAL A 44 -15.092 17.377 -5.370 1.00 0.00 C ATOM 689 O VAL A 44 -14.313 17.219 -4.429 1.00 0.00 O ATOM 690 CB VAL A 44 -14.578 16.837 -7.806 1.00 0.00 C ATOM 691 CG1 VAL A 44 -14.814 17.471 -9.177 1.00 0.00 C ATOM 692 CG2 VAL A 44 -13.311 15.971 -7.800 1.00 0.00 C ATOM 0 H VAL A 44 -12.629 17.911 -6.137 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.337 18.680 -7.032 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.385 16.142 -7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.786 16.698 -9.945 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -15.789 17.959 -9.189 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.036 18.209 -9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.371 15.233 -8.600 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.437 16.604 -7.954 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.224 15.460 -6.841 1.00 0.00 H new ATOM 702 N ASP A 45 -16.377 17.023 -5.306 1.00 0.00 N ATOM 703 CA ASP A 45 -17.021 16.400 -4.146 1.00 0.00 C ATOM 704 C ASP A 45 -16.670 14.904 -4.075 1.00 0.00 C ATOM 705 O ASP A 45 -17.528 14.021 -4.009 1.00 0.00 O ATOM 706 CB ASP A 45 -18.530 16.681 -4.148 1.00 0.00 C ATOM 707 CG ASP A 45 -19.222 16.145 -2.880 1.00 0.00 C ATOM 708 OD1 ASP A 45 -18.670 16.306 -1.763 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.355 15.615 -2.983 1.00 0.00 O ATOM 0 H ASP A 45 -17.020 17.166 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.634 16.847 -3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -18.698 17.755 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -18.982 16.223 -5.028 1.00 0.00 H new ATOM 714 N ASP A 46 -15.375 14.624 -4.207 1.00 0.00 N ATOM 715 CA ASP A 46 -14.768 13.305 -4.357 1.00 0.00 C ATOM 716 C ASP A 46 -13.277 13.354 -3.995 1.00 0.00 C ATOM 717 O ASP A 46 -12.742 12.406 -3.415 1.00 0.00 O ATOM 718 CB ASP A 46 -14.920 12.862 -5.818 1.00 0.00 C ATOM 719 CG ASP A 46 -14.152 11.561 -6.109 1.00 0.00 C ATOM 720 OD1 ASP A 46 -14.628 10.475 -5.699 1.00 0.00 O ATOM 721 OD2 ASP A 46 -13.106 11.628 -6.801 1.00 0.00 O ATOM 0 H ASP A 46 -14.674 15.365 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.265 12.601 -3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.976 12.718 -6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.557 13.652 -6.476 1.00 0.00 H new ATOM 726 N GLY A 47 -12.602 14.471 -4.288 1.00 0.00 N ATOM 727 CA GLY A 47 -11.175 14.625 -4.096 1.00 0.00 C ATOM 728 C GLY A 47 -10.657 15.797 -4.923 1.00 0.00 C ATOM 729 O GLY A 47 -11.397 16.743 -5.205 1.00 0.00 O ATOM 0 H GLY A 47 -13.050 15.303 -4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.958 14.791 -3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.660 13.709 -4.387 1.00 0.00 H new ATOM 733 N THR A 48 -9.398 15.717 -5.337 1.00 0.00 N ATOM 734 CA THR A 48 -8.732 16.735 -6.137 1.00 0.00 C ATOM 735 C THR A 48 -8.269 16.084 -7.438 1.00 0.00 C ATOM 736 O THR A 48 -7.997 14.881 -7.482 1.00 0.00 O ATOM 737 CB THR A 48 -7.566 17.370 -5.355 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.890 17.563 -3.982 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.126 18.726 -5.919 1.00 0.00 C ATOM 0 H THR A 48 -8.798 14.922 -5.119 1.00 0.00 H new ATOM 0 HA THR A 48 -9.419 17.548 -6.370 1.00 0.00 H new ATOM 0 HB THR A 48 -6.748 16.657 -5.459 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.299 18.445 -3.863 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.302 19.118 -5.323 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.800 18.602 -6.952 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.963 19.423 -5.884 1.00 0.00 H new ATOM 747 N GLU A 49 -8.156 16.880 -8.489 1.00 0.00 N ATOM 748 CA GLU A 49 -7.634 16.502 -9.785 1.00 0.00 C ATOM 749 C GLU A 49 -6.536 17.508 -10.141 1.00 0.00 C ATOM 750 O GLU A 49 -6.817 18.684 -10.378 1.00 0.00 O ATOM 751 CB GLU A 49 -8.759 16.461 -10.832 1.00 0.00 C ATOM 752 CG GLU A 49 -9.817 15.389 -10.537 1.00 0.00 C ATOM 753 CD GLU A 49 -10.981 15.449 -11.550 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.841 16.359 -11.442 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.076 14.559 -12.428 1.00 0.00 O ATOM 0 H GLU A 49 -8.442 17.858 -8.455 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.211 15.498 -9.765 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.242 17.437 -10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.326 16.275 -11.815 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.355 14.402 -10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.204 15.527 -9.527 1.00 0.00 H new ATOM 762 N THR A 50 -5.275 17.066 -10.136 1.00 0.00 N ATOM 763 CA THR A 50 -4.134 17.882 -10.545 1.00 0.00 C ATOM 764 C THR A 50 -3.908 17.615 -12.030 1.00 0.00 C ATOM 765 O THR A 50 -3.358 16.566 -12.355 1.00 0.00 O ATOM 766 CB THR A 50 -2.899 17.519 -9.700 1.00 0.00 C ATOM 767 OG1 THR A 50 -3.140 17.780 -8.326 1.00 0.00 O ATOM 768 CG2 THR A 50 -1.649 18.291 -10.135 1.00 0.00 C ATOM 0 H THR A 50 -5.018 16.123 -9.845 1.00 0.00 H new ATOM 0 HA THR A 50 -4.320 18.944 -10.386 1.00 0.00 H new ATOM 0 HB THR A 50 -2.719 16.455 -9.856 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.346 17.542 -7.804 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.805 18.000 -9.509 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.424 18.062 -11.177 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.827 19.361 -10.029 1.00 0.00 H new ATOM 776 N HIS A 51 -4.319 18.514 -12.922 1.00 0.00 N ATOM 777 CA HIS A 51 -4.234 18.340 -14.370 1.00 0.00 C ATOM 778 C HIS A 51 -2.899 18.863 -14.907 1.00 0.00 C ATOM 779 O HIS A 51 -2.382 19.861 -14.398 1.00 0.00 O ATOM 780 CB HIS A 51 -5.396 19.069 -15.063 1.00 0.00 C ATOM 781 CG HIS A 51 -6.762 18.513 -14.750 1.00 0.00 C ATOM 782 ND1 HIS A 51 -7.436 17.560 -15.483 1.00 0.00 N ATOM 783 CD2 HIS A 51 -7.589 18.895 -13.726 1.00 0.00 C ATOM 784 CE1 HIS A 51 -8.633 17.361 -14.904 1.00 0.00 C ATOM 785 NE2 HIS A 51 -8.777 18.160 -13.831 1.00 0.00 N ATOM 0 H HIS A 51 -4.731 19.407 -12.650 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.300 17.274 -14.586 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.371 20.120 -14.775 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.241 19.030 -16.141 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.364 19.633 -12.970 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.375 16.658 -15.252 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.589 18.219 -13.217 1.00 0.00 H new ATOM 793 N PHE A 52 -2.372 18.213 -15.949 1.00 0.00 N ATOM 794 CA PHE A 52 -1.231 18.630 -16.763 1.00 0.00 C ATOM 795 C PHE A 52 -1.317 17.905 -18.122 1.00 0.00 C ATOM 796 O PHE A 52 -2.301 17.217 -18.391 1.00 0.00 O ATOM 797 CB PHE A 52 0.096 18.367 -16.019 1.00 0.00 C ATOM 798 CG PHE A 52 0.310 16.982 -15.431 1.00 0.00 C ATOM 799 CD1 PHE A 52 -0.270 16.663 -14.189 1.00 0.00 C ATOM 800 CD2 PHE A 52 1.149 16.043 -16.068 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.017 15.427 -13.581 1.00 0.00 C ATOM 802 CE2 PHE A 52 1.405 14.803 -15.448 1.00 0.00 C ATOM 803 CZ PHE A 52 0.833 14.500 -14.202 1.00 0.00 C ATOM 0 H PHE A 52 -2.758 17.323 -16.265 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.258 19.704 -16.946 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.914 18.569 -16.710 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.177 19.092 -15.209 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.916 17.378 -13.701 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.593 16.273 -17.025 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.477 15.187 -12.633 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.045 14.082 -15.934 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.047 13.556 -13.723 1.00 0.00 H new ATOM 813 N SER A 53 -0.307 18.036 -18.985 1.00 0.00 N ATOM 814 CA SER A 53 -0.241 17.379 -20.290 1.00 0.00 C ATOM 815 C SER A 53 1.216 17.043 -20.617 1.00 0.00 C ATOM 816 O SER A 53 2.129 17.754 -20.187 1.00 0.00 O ATOM 817 CB SER A 53 -0.831 18.259 -21.404 1.00 0.00 C ATOM 818 OG SER A 53 -2.169 18.657 -21.126 1.00 0.00 O ATOM 0 H SER A 53 0.508 18.617 -18.789 1.00 0.00 H new ATOM 0 HA SER A 53 -0.836 16.467 -20.238 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.210 19.145 -21.531 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.805 17.713 -22.347 1.00 0.00 H new ATOM 0 HG SER A 53 -2.503 19.215 -21.859 1.00 0.00 H new ATOM 824 N ILE A 54 1.427 15.960 -21.367 1.00 0.00 N ATOM 825 CA ILE A 54 2.729 15.461 -21.795 1.00 0.00 C ATOM 826 C ILE A 54 2.525 15.052 -23.253 1.00 0.00 C ATOM 827 O ILE A 54 1.645 14.240 -23.555 1.00 0.00 O ATOM 828 CB ILE A 54 3.190 14.296 -20.880 1.00 0.00 C ATOM 829 CG1 ILE A 54 3.346 14.788 -19.421 1.00 0.00 C ATOM 830 CG2 ILE A 54 4.518 13.690 -21.381 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.588 13.684 -18.398 1.00 0.00 C ATOM 0 H ILE A 54 0.658 15.383 -21.707 1.00 0.00 H new ATOM 0 HA ILE A 54 3.526 16.201 -21.717 1.00 0.00 H new ATOM 0 HB ILE A 54 2.427 13.519 -20.913 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.176 15.494 -19.377 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.447 15.335 -19.139 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.818 12.876 -20.721 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.384 13.307 -22.393 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.291 14.459 -21.383 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.685 14.123 -17.405 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.748 12.989 -18.407 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.504 13.150 -18.649 1.00 0.00 H new ATOM 843 N GLY A 55 3.298 15.642 -24.167 1.00 0.00 N ATOM 844 CA GLY A 55 3.051 15.493 -25.596 1.00 0.00 C ATOM 845 C GLY A 55 1.631 15.965 -25.914 1.00 0.00 C ATOM 846 O GLY A 55 1.189 17.007 -25.422 1.00 0.00 O ATOM 0 H GLY A 55 4.101 16.228 -23.939 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.776 16.075 -26.165 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.175 14.451 -25.892 1.00 0.00 H new ATOM 850 N ASN A 56 0.903 15.175 -26.709 1.00 0.00 N ATOM 851 CA ASN A 56 -0.493 15.438 -27.062 1.00 0.00 C ATOM 852 C ASN A 56 -1.474 14.938 -25.986 1.00 0.00 C ATOM 853 O ASN A 56 -2.675 15.197 -26.084 1.00 0.00 O ATOM 854 CB ASN A 56 -0.780 14.793 -28.429 1.00 0.00 C ATOM 855 CG ASN A 56 -2.179 15.116 -28.961 1.00 0.00 C ATOM 856 OD1 ASN A 56 -3.047 14.247 -29.037 1.00 0.00 O ATOM 857 ND2 ASN A 56 -2.423 16.356 -29.369 1.00 0.00 N ATOM 0 H ASN A 56 1.273 14.323 -27.131 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.645 16.516 -27.122 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.036 15.134 -29.149 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.670 13.712 -28.345 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.338 16.597 -29.750 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.696 17.068 -29.301 1.00 0.00 H new ATOM 864 N HIS A 57 -1.002 14.210 -24.967 1.00 0.00 N ATOM 865 CA HIS A 57 -1.853 13.508 -24.012 1.00 0.00 C ATOM 866 C HIS A 57 -2.059 14.380 -22.777 1.00 0.00 C ATOM 867 O HIS A 57 -1.091 14.910 -22.230 1.00 0.00 O ATOM 868 CB HIS A 57 -1.224 12.166 -23.606 1.00 0.00 C ATOM 869 CG HIS A 57 -0.930 11.230 -24.753 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.648 10.109 -25.113 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.145 11.304 -25.602 1.00 0.00 C ATOM 872 CE1 HIS A 57 -1.018 9.525 -26.148 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.081 10.223 -26.490 1.00 0.00 N ATOM 0 H HIS A 57 -0.005 14.093 -24.784 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.815 13.307 -24.482 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.296 12.364 -23.070 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.894 11.663 -22.908 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.910 12.066 -25.588 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.348 8.621 -26.637 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.735 10.008 -27.243 1.00 0.00 H new ATOM 881 N ASP A 58 -3.299 14.509 -22.304 1.00 0.00 N ATOM 882 CA ASP A 58 -3.555 15.126 -21.005 1.00 0.00 C ATOM 883 C ASP A 58 -3.401 14.060 -19.922 1.00 0.00 C ATOM 884 O ASP A 58 -3.625 12.866 -20.157 1.00 0.00 O ATOM 885 CB ASP A 58 -4.906 15.835 -20.915 1.00 0.00 C ATOM 886 CG ASP A 58 -6.041 14.890 -20.480 1.00 0.00 C ATOM 887 OD1 ASP A 58 -6.620 14.203 -21.356 1.00 0.00 O ATOM 888 OD2 ASP A 58 -6.372 14.856 -19.271 1.00 0.00 O ATOM 0 H ASP A 58 -4.135 14.197 -22.798 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.821 15.919 -20.858 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.833 16.660 -20.206 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.150 16.268 -21.885 1.00 0.00 H new ATOM 893 N CYS A 59 -3.003 14.501 -18.736 1.00 0.00 N ATOM 894 CA CYS A 59 -2.784 13.679 -17.567 1.00 0.00 C ATOM 895 C CYS A 59 -3.429 14.376 -16.379 1.00 0.00 C ATOM 896 O CYS A 59 -3.471 15.608 -16.337 1.00 0.00 O ATOM 897 CB CYS A 59 -1.288 13.528 -17.259 1.00 0.00 C ATOM 898 SG CYS A 59 -0.269 13.317 -18.749 1.00 0.00 S ATOM 0 H CYS A 59 -2.817 15.489 -18.561 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.208 12.692 -17.751 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.945 14.407 -16.714 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.143 12.670 -16.603 1.00 0.00 H new ATOM 0 HG CYS A 59 0.643 12.418 -18.527 1.00 0.00 H new ATOM 904 N TYR A 60 -3.881 13.625 -15.384 1.00 0.00 N ATOM 905 CA TYR A 60 -4.278 14.223 -14.130 1.00 0.00 C ATOM 906 C TYR A 60 -3.984 13.272 -12.993 1.00 0.00 C ATOM 907 O TYR A 60 -4.194 12.072 -13.129 1.00 0.00 O ATOM 908 CB TYR A 60 -5.727 14.724 -14.160 1.00 0.00 C ATOM 909 CG TYR A 60 -6.842 13.697 -14.263 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.218 12.934 -13.144 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.566 13.578 -15.465 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.305 12.046 -13.226 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.693 12.741 -15.537 1.00 0.00 C ATOM 914 CZ TYR A 60 -9.072 11.972 -14.411 1.00 0.00 C ATOM 915 OH TYR A 60 -10.136 11.116 -14.471 1.00 0.00 O ATOM 0 H TYR A 60 -3.979 12.611 -15.425 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.682 15.120 -13.961 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.896 15.308 -13.255 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.825 15.407 -15.004 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.670 13.030 -12.218 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.253 14.133 -16.337 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.554 11.420 -12.382 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.268 12.685 -16.449 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.561 11.183 -15.352 1.00 0.00 H new ATOM 925 N ILE A 61 -3.494 13.776 -11.864 1.00 0.00 N ATOM 926 CA ILE A 61 -3.393 12.960 -10.662 1.00 0.00 C ATOM 927 C ILE A 61 -4.731 13.127 -9.958 1.00 0.00 C ATOM 928 O ILE A 61 -5.096 14.243 -9.588 1.00 0.00 O ATOM 929 CB ILE A 61 -2.167 13.320 -9.803 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.860 13.050 -10.583 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.163 12.497 -8.500 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.290 13.932 -10.088 1.00 0.00 C ATOM 0 H ILE A 61 -3.164 14.735 -11.758 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.215 11.909 -10.889 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.225 14.381 -9.559 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.584 12.001 -10.478 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.026 13.231 -11.645 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.290 12.763 -7.904 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.069 12.710 -7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.127 11.435 -8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.190 13.712 -10.661 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.025 14.981 -10.217 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.474 13.731 -9.033 1.00 0.00 H new ATOM 944 N LYS A 62 -5.471 12.031 -9.804 1.00 0.00 N ATOM 945 CA LYS A 62 -6.679 11.981 -9.001 1.00 0.00 C ATOM 946 C LYS A 62 -6.198 11.736 -7.580 1.00 0.00 C ATOM 947 O LYS A 62 -5.466 10.776 -7.350 1.00 0.00 O ATOM 948 CB LYS A 62 -7.590 10.859 -9.533 1.00 0.00 C ATOM 949 CG LYS A 62 -9.079 11.148 -9.305 1.00 0.00 C ATOM 950 CD LYS A 62 -9.947 10.038 -9.922 1.00 0.00 C ATOM 951 CE LYS A 62 -11.435 10.370 -9.723 1.00 0.00 C ATOM 952 NZ LYS A 62 -12.333 9.338 -10.316 1.00 0.00 N ATOM 0 H LYS A 62 -5.239 11.140 -10.244 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.274 12.894 -9.040 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.409 10.725 -10.599 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.327 9.921 -9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.281 11.223 -8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.340 12.109 -9.747 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.726 9.939 -10.985 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.713 9.080 -9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.645 10.461 -8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.652 11.338 -10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.325 9.607 -10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.154 9.268 -11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.147 8.418 -9.868 1.00 0.00 H new ATOM 966 N ALA A 63 -6.571 12.600 -6.648 1.00 0.00 N ATOM 967 CA ALA A 63 -6.247 12.488 -5.242 1.00 0.00 C ATOM 968 C ALA A 63 -7.585 12.358 -4.526 1.00 0.00 C ATOM 969 O ALA A 63 -8.243 13.356 -4.244 1.00 0.00 O ATOM 970 CB ALA A 63 -5.435 13.709 -4.810 1.00 0.00 C ATOM 0 H ALA A 63 -7.128 13.427 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.624 11.626 -5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.190 13.627 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.515 13.759 -5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.020 14.613 -4.978 1.00 0.00 H new ATOM 976 N VAL A 64 -8.030 11.124 -4.326 1.00 0.00 N ATOM 977 CA VAL A 64 -9.368 10.801 -3.863 1.00 0.00 C ATOM 978 C VAL A 64 -9.372 10.833 -2.344 1.00 0.00 C ATOM 979 O VAL A 64 -8.587 10.107 -1.741 1.00 0.00 O ATOM 980 CB VAL A 64 -9.814 9.403 -4.358 1.00 0.00 C ATOM 981 CG1 VAL A 64 -11.343 9.328 -4.377 1.00 0.00 C ATOM 982 CG2 VAL A 64 -9.276 9.024 -5.748 1.00 0.00 C ATOM 0 H VAL A 64 -7.452 10.299 -4.487 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.069 11.533 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.389 8.687 -3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.655 8.343 -4.726 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.728 9.495 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.736 10.092 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.635 8.031 -6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.625 9.749 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.186 9.023 -5.728 1.00 0.00 H new ATOM 992 N SER A 65 -10.256 11.587 -1.702 1.00 0.00 N ATOM 993 CA SER A 65 -10.389 11.622 -0.250 1.00 0.00 C ATOM 994 C SER A 65 -11.218 10.417 0.231 1.00 0.00 C ATOM 995 O SER A 65 -12.283 10.574 0.835 1.00 0.00 O ATOM 996 CB SER A 65 -10.944 12.986 0.186 1.00 0.00 C ATOM 997 OG SER A 65 -10.227 14.045 -0.445 1.00 0.00 O ATOM 0 H SER A 65 -10.912 12.202 -2.184 1.00 0.00 H new ATOM 0 HA SER A 65 -9.416 11.524 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.001 13.053 -0.070 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.871 13.085 1.269 1.00 0.00 H new ATOM 0 HG SER A 65 -10.595 14.906 -0.157 1.00 0.00 H new ATOM 1111 N ILE A 73 -5.866 9.874 1.542 1.00 0.00 N ATOM 1112 CA ILE A 73 -6.117 10.375 0.200 1.00 0.00 C ATOM 1113 C ILE A 73 -5.401 9.394 -0.744 1.00 0.00 C ATOM 1114 O ILE A 73 -4.193 9.182 -0.608 1.00 0.00 O ATOM 1115 CB ILE A 73 -5.675 11.850 0.051 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -6.540 12.864 0.839 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -5.766 12.295 -1.417 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -6.605 12.689 2.354 1.00 0.00 C ATOM 0 HA ILE A 73 -7.179 10.408 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.659 11.860 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.164 13.865 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.557 12.817 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.451 13.335 -1.502 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.117 11.668 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.795 12.198 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.242 13.462 2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.017 11.708 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.602 12.772 2.773 1.00 0.00 H new ATOM 1130 N ILE A 74 -6.125 8.797 -1.693 1.00 0.00 N ATOM 1131 CA ILE A 74 -5.591 7.815 -2.628 1.00 0.00 C ATOM 1132 C ILE A 74 -5.103 8.608 -3.832 1.00 0.00 C ATOM 1133 O ILE A 74 -5.905 9.277 -4.478 1.00 0.00 O ATOM 1134 CB ILE A 74 -6.667 6.760 -2.974 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -7.178 6.025 -1.714 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -6.166 5.759 -4.033 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -6.137 5.204 -0.938 1.00 0.00 C ATOM 0 H ILE A 74 -7.117 8.989 -1.833 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.762 7.242 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.510 7.301 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.606 6.764 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.988 5.358 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.951 5.034 -4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.906 6.295 -4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.286 5.239 -3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.612 4.735 -0.076 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.723 4.433 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.336 5.860 -0.598 1.00 0.00 H new ATOM 1149 N HIS A 75 -3.805 8.552 -4.127 1.00 0.00 N ATOM 1150 CA HIS A 75 -3.227 9.255 -5.265 1.00 0.00 C ATOM 1151 C HIS A 75 -3.076 8.265 -6.418 1.00 0.00 C ATOM 1152 O HIS A 75 -2.400 7.247 -6.266 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.893 9.899 -4.862 1.00 0.00 C ATOM 1154 CG HIS A 75 -2.064 11.060 -3.914 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -2.220 10.999 -2.545 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -2.108 12.381 -4.266 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -2.335 12.258 -2.089 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -2.274 13.139 -3.103 1.00 0.00 N ATOM 0 H HIS A 75 -3.127 8.018 -3.583 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.878 10.065 -5.594 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.258 9.146 -4.395 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.375 10.241 -5.758 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.028 12.771 -5.270 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.459 12.526 -1.050 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.336 14.155 -3.037 1.00 0.00 H new ATOM 1166 N THR A 76 -3.656 8.590 -7.574 1.00 0.00 N ATOM 1167 CA THR A 76 -3.558 7.795 -8.794 1.00 0.00 C ATOM 1168 C THR A 76 -3.238 8.726 -9.948 1.00 0.00 C ATOM 1169 O THR A 76 -3.812 9.811 -10.012 1.00 0.00 O ATOM 1170 CB THR A 76 -4.878 7.051 -9.073 1.00 0.00 C ATOM 1171 OG1 THR A 76 -5.451 6.513 -7.887 1.00 0.00 O ATOM 1172 CG2 THR A 76 -4.622 5.908 -10.052 1.00 0.00 C ATOM 0 H THR A 76 -4.219 9.433 -7.688 1.00 0.00 H new ATOM 0 HA THR A 76 -2.771 7.050 -8.677 1.00 0.00 H new ATOM 0 HB THR A 76 -5.577 7.775 -9.493 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.287 6.051 -8.108 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.556 5.382 -10.249 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.228 6.310 -10.985 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.899 5.215 -9.621 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.375 8.326 -10.879 1.00 0.00 N ATOM 1181 CA LEU A 77 -2.194 9.074 -12.110 1.00 0.00 C ATOM 1182 C LEU A 77 -3.192 8.534 -13.118 1.00 0.00 C ATOM 1183 O LEU A 77 -3.325 7.327 -13.274 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.749 8.953 -12.611 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.499 9.631 -13.968 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.572 11.155 -13.853 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.878 9.231 -14.493 1.00 0.00 C ATOM 0 H LEU A 77 -1.795 7.491 -10.801 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.373 10.137 -11.950 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.080 9.390 -11.869 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.490 7.897 -12.691 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.276 9.302 -14.658 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.391 11.603 -14.830 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.561 11.446 -13.498 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.183 11.503 -13.149 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.054 9.712 -15.455 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.643 9.546 -13.784 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.920 8.149 -14.615 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.889 9.423 -13.803 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.713 9.131 -14.949 1.00 0.00 C ATOM 1201 C ILE A 78 -3.989 9.783 -16.135 1.00 0.00 C ATOM 1202 O ILE A 78 -3.457 10.887 -16.001 1.00 0.00 O ATOM 1203 CB ILE A 78 -6.151 9.652 -14.723 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -7.051 8.667 -13.944 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.838 9.996 -16.049 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -6.587 8.399 -12.518 1.00 0.00 C ATOM 0 H ILE A 78 -3.892 10.413 -13.559 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.838 8.064 -15.135 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.031 10.549 -14.116 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.066 9.063 -13.916 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.092 7.722 -14.486 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.847 10.359 -15.853 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.268 10.769 -16.564 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.888 9.105 -16.675 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.271 7.698 -12.039 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.584 7.973 -12.536 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.574 9.334 -11.958 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.976 9.136 -17.300 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.461 9.684 -18.547 1.00 0.00 C ATOM 1220 C VAL A 79 -4.435 9.295 -19.649 1.00 0.00 C ATOM 1221 O VAL A 79 -4.833 8.134 -19.718 1.00 0.00 O ATOM 1222 CB VAL A 79 -2.033 9.179 -18.823 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.435 9.829 -20.079 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -1.111 9.450 -17.629 1.00 0.00 C ATOM 0 H VAL A 79 -4.336 8.187 -17.401 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.386 10.770 -18.493 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.107 8.104 -18.986 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.427 9.448 -20.241 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.056 9.591 -20.943 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.397 10.910 -19.946 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.109 9.083 -17.852 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.070 10.522 -17.437 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.497 8.938 -16.748 1.00 0.00 H new ATOM 1234 N ASP A 80 -4.836 10.249 -20.492 1.00 0.00 N ATOM 1235 CA ASP A 80 -5.831 10.053 -21.554 1.00 0.00 C ATOM 1236 C ASP A 80 -7.105 9.364 -21.027 1.00 0.00 C ATOM 1237 O ASP A 80 -7.685 8.487 -21.668 1.00 0.00 O ATOM 1238 CB ASP A 80 -5.200 9.369 -22.777 1.00 0.00 C ATOM 1239 CG ASP A 80 -6.155 9.321 -23.986 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -6.847 10.329 -24.271 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -6.165 8.289 -24.700 1.00 0.00 O ATOM 0 H ASP A 80 -4.471 11.201 -20.456 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.168 11.030 -21.901 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.291 9.901 -23.057 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.906 8.354 -22.510 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.513 9.734 -19.805 1.00 0.00 N ATOM 1247 CA ASN A 81 -8.628 9.167 -19.036 1.00 0.00 C ATOM 1248 C ASN A 81 -8.483 7.676 -18.656 1.00 0.00 C ATOM 1249 O ASN A 81 -9.437 7.078 -18.155 1.00 0.00 O ATOM 1250 CB ASN A 81 -9.983 9.499 -19.694 1.00 0.00 C ATOM 1251 CG ASN A 81 -11.162 9.370 -18.723 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -11.070 9.730 -17.549 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -12.310 8.898 -19.192 1.00 0.00 N ATOM 0 H ASN A 81 -7.044 10.483 -19.296 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.593 9.666 -18.068 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.952 10.515 -20.087 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.142 8.834 -20.542 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.123 8.832 -18.579 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.380 8.601 -20.165 1.00 0.00 H new ATOM 1260 N ARG A 82 -7.312 7.053 -18.861 1.00 0.00 N ATOM 1261 CA ARG A 82 -6.983 5.715 -18.382 1.00 0.00 C ATOM 1262 C ARG A 82 -6.255 5.825 -17.059 1.00 0.00 C ATOM 1263 O ARG A 82 -5.546 6.799 -16.824 1.00 0.00 O ATOM 1264 CB ARG A 82 -6.111 4.973 -19.404 1.00 0.00 C ATOM 1265 CG ARG A 82 -6.952 4.419 -20.553 1.00 0.00 C ATOM 1266 CD ARG A 82 -7.448 5.459 -21.564 1.00 0.00 C ATOM 1267 NE ARG A 82 -8.124 4.834 -22.715 1.00 0.00 N ATOM 1268 CZ ARG A 82 -8.830 5.493 -23.643 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -8.935 6.820 -23.598 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -9.441 4.817 -24.615 1.00 0.00 N ATOM 0 H ARG A 82 -6.549 7.486 -19.382 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.904 5.148 -18.247 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.353 5.650 -19.799 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.583 4.157 -18.910 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.363 3.672 -21.085 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.816 3.904 -20.133 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.135 6.146 -21.070 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.604 6.052 -21.918 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.048 3.821 -22.812 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.476 7.343 -22.852 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.475 7.313 -24.309 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.370 3.800 -24.651 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.979 5.316 -25.323 1.00 0.00 H new ATOM 1284 N GLU A 83 -6.413 4.821 -16.207 1.00 0.00 N ATOM 1285 CA GLU A 83 -5.876 4.815 -14.859 1.00 0.00 C ATOM 1286 C GLU A 83 -4.521 4.100 -14.820 1.00 0.00 C ATOM 1287 O GLU A 83 -4.376 3.017 -15.392 1.00 0.00 O ATOM 1288 CB GLU A 83 -6.924 4.221 -13.914 1.00 0.00 C ATOM 1289 CG GLU A 83 -6.438 4.171 -12.469 1.00 0.00 C ATOM 1290 CD GLU A 83 -7.525 3.610 -11.536 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -8.399 4.384 -11.077 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -7.510 2.386 -11.255 1.00 0.00 O ATOM 0 H GLU A 83 -6.929 3.973 -16.441 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.673 5.830 -14.517 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.837 4.815 -13.968 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.179 3.214 -14.244 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.544 3.551 -12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.156 5.172 -12.143 1.00 0.00 H new ATOM 1299 N ILE A 84 -3.542 4.707 -14.139 1.00 0.00 N ATOM 1300 CA ILE A 84 -2.147 4.296 -14.078 1.00 0.00 C ATOM 1301 C ILE A 84 -1.792 4.056 -12.594 1.00 0.00 C ATOM 1302 O ILE A 84 -1.785 5.012 -11.811 1.00 0.00 O ATOM 1303 CB ILE A 84 -1.247 5.383 -14.728 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -1.744 5.891 -16.098 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.211 4.909 -14.833 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -1.840 4.837 -17.206 1.00 0.00 C ATOM 0 H ILE A 84 -3.719 5.546 -13.586 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.981 3.375 -14.636 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.307 6.236 -14.052 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.728 6.339 -15.963 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.076 6.684 -16.434 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.816 5.691 -15.292 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.595 4.691 -13.837 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.258 4.008 -15.445 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.199 5.305 -18.123 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.856 4.403 -17.382 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.534 4.053 -16.903 1.00 0.00 H new ATOM 1318 N PRO A 85 -1.499 2.812 -12.179 1.00 0.00 N ATOM 1319 CA PRO A 85 -1.071 2.507 -10.815 1.00 0.00 C ATOM 1320 C PRO A 85 0.366 2.988 -10.563 1.00 0.00 C ATOM 1321 O PRO A 85 1.189 3.034 -11.482 1.00 0.00 O ATOM 1322 CB PRO A 85 -1.211 0.988 -10.675 1.00 0.00 C ATOM 1323 CG PRO A 85 -0.993 0.484 -12.102 1.00 0.00 C ATOM 1324 CD PRO A 85 -1.600 1.591 -12.965 1.00 0.00 C ATOM 0 HA PRO A 85 -1.677 3.023 -10.070 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.473 0.577 -9.986 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.193 0.708 -10.295 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.065 0.339 -12.320 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.487 -0.473 -12.270 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.063 1.689 -13.909 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.639 1.369 -13.210 1.00 0.00 H new ATOM 1332 N GLU A 86 0.667 3.358 -9.316 1.00 0.00 N ATOM 1333 CA GLU A 86 1.978 3.824 -8.885 1.00 0.00 C ATOM 1334 C GLU A 86 3.007 2.681 -8.884 1.00 0.00 C ATOM 1335 O GLU A 86 2.654 1.496 -8.943 1.00 0.00 O ATOM 1336 CB GLU A 86 1.871 4.545 -7.527 1.00 0.00 C ATOM 1337 CG GLU A 86 1.878 3.622 -6.303 1.00 0.00 C ATOM 1338 CD GLU A 86 0.710 2.612 -6.245 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -0.417 2.926 -6.701 1.00 0.00 O ATOM 1340 OE2 GLU A 86 0.911 1.500 -5.700 1.00 0.00 O ATOM 0 H GLU A 86 -0.017 3.339 -8.560 1.00 0.00 H new ATOM 0 HA GLU A 86 2.347 4.555 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.700 5.247 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.953 5.132 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.818 3.070 -6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.854 4.236 -5.403 1.00 0.00 H new