USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1023 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 105 GLN : amide:sc= -6.86! C(o=-13!,f=-29!) USER MOD Set 1.2: A 107 ASN :FLIP amide:sc= -6.11! C(o=-17!,f=-13!) USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 116 GLN :FLIP amide:sc= -3.73 F(o=-9.8!,f=-3.7) USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= -2.07! F(o=-7.2,f=-6.2!) USER MOD Set 3.2: A 62 HIS : no HE2:sc= -4.14! C(o=-6.2!,f=-10!) USER MOD Single : A 8 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.73) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -2.64 K(o=-2.6,f=-5.8!) USER MOD Single : A 15 THR OG1 : rot -20:sc= 0.0618 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= -3.96! USER MOD Single : A 32 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.316) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-0.00861 X(o=-0.0086,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0121 K(o=-0.012,f=-0.77) USER MOD Single : A 53 GLN :FLIP amide:sc= -1.41 F(o=-3.5,f=-1.4) USER MOD Single : A 55 HIS : no HD1:sc= -0.858 K(o=-0.86,f=-1.6) USER MOD Single : A 60 TYR OH : rot 60:sc= -2.67! USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0288 USER MOD Single : A 76 GLN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= -0.0504 (180deg=-0.442) USER MOD Single : A 85 MET CE :methyl 142:sc= -2.55! (180deg=-6.18!) USER MOD Single : A 90 SER OG : rot 180:sc=0.000975 USER MOD Single : A 100 SER OG : rot -66:sc= 1.14 USER MOD Single : A 108 THR OG1 : rot 135:sc= -2.97! USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot -20:sc= -0.158! USER MOD Single : A 122 HIS : no HE2:sc= -4.93! C(o=-4.9!,f=-4.6!) USER MOD Single : A 123 THR OG1 : rot 127:sc= 0.789 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc=-0.00545 X(o=-0.0055,f=0) USER MOD Single : A 134 CYS SG : rot 75:sc= -1.21! USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0.471 USER MOD Single : A 154 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 7 -10.946 9.353 -6.333 1.00 1.00 N ATOM 79 CA ASP A 7 -9.535 9.537 -6.027 1.00 1.00 C ATOM 80 C ASP A 7 -9.225 8.944 -4.658 1.00 1.00 C ATOM 81 O ASP A 7 -9.895 9.240 -3.670 1.00 1.00 O ATOM 82 CB ASP A 7 -9.184 11.028 -6.040 1.00 1.00 C ATOM 83 CG ASP A 7 -7.684 11.208 -5.826 1.00 1.00 C ATOM 84 OD1 ASP A 7 -7.022 10.220 -5.554 1.00 1.00 O ATOM 85 OD2 ASP A 7 -7.221 12.331 -5.942 1.00 1.00 O ATOM 0 HA ASP A 7 -8.938 9.028 -6.783 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -9.481 11.473 -6.990 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -9.737 11.548 -5.258 1.00 1.00 H new ATOM 90 N GLN A 8 -8.197 8.107 -4.613 1.00 1.00 N ATOM 91 CA GLN A 8 -7.783 7.470 -3.362 1.00 1.00 C ATOM 92 C GLN A 8 -6.717 8.317 -2.677 1.00 1.00 C ATOM 93 O GLN A 8 -6.647 8.382 -1.449 1.00 1.00 O ATOM 94 CB GLN A 8 -7.221 6.071 -3.666 1.00 1.00 C ATOM 95 CG GLN A 8 -8.352 5.046 -3.697 1.00 1.00 C ATOM 96 CD GLN A 8 -9.427 5.496 -4.675 1.00 1.00 C ATOM 97 OE1 GLN A 8 -10.456 6.032 -4.265 1.00 1.00 O ATOM 98 NE2 GLN A 8 -9.244 5.314 -5.949 1.00 1.00 N ATOM 0 H GLN A 8 -7.633 7.851 -5.424 1.00 1.00 H new ATOM 0 HA GLN A 8 -8.643 7.381 -2.699 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -6.701 6.080 -4.624 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -6.488 5.793 -2.909 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -7.964 4.071 -3.992 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -8.779 4.931 -2.701 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -8.389 4.869 -6.283 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -9.955 5.616 -6.615 1.00 1.00 H new ATOM 107 N SER A 9 -5.868 8.927 -3.487 1.00 1.00 N ATOM 108 CA SER A 9 -4.771 9.736 -2.950 1.00 1.00 C ATOM 109 C SER A 9 -5.295 10.845 -2.048 1.00 1.00 C ATOM 110 O SER A 9 -4.826 11.006 -0.920 1.00 1.00 O ATOM 111 CB SER A 9 -3.959 10.362 -4.084 1.00 1.00 C ATOM 112 OG SER A 9 -3.135 11.389 -3.549 1.00 1.00 O ATOM 0 H SER A 9 -5.910 8.883 -4.505 1.00 1.00 H new ATOM 0 HA SER A 9 -4.134 9.072 -2.365 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.347 9.604 -4.572 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.625 10.771 -4.843 1.00 1.00 H new ATOM 0 HG SER A 9 -2.609 11.795 -4.269 1.00 1.00 H new ATOM 118 N VAL A 10 -6.265 11.608 -2.531 1.00 1.00 N ATOM 119 CA VAL A 10 -6.825 12.686 -1.728 1.00 1.00 C ATOM 120 C VAL A 10 -7.505 12.112 -0.487 1.00 1.00 C ATOM 121 O VAL A 10 -7.301 12.589 0.630 1.00 1.00 O ATOM 122 CB VAL A 10 -7.838 13.467 -2.573 1.00 1.00 C ATOM 123 CG1 VAL A 10 -8.592 14.469 -1.696 1.00 1.00 C ATOM 124 CG2 VAL A 10 -7.100 14.215 -3.689 1.00 1.00 C ATOM 0 H VAL A 10 -6.675 11.504 -3.459 1.00 1.00 H new ATOM 0 HA VAL A 10 -6.028 13.357 -1.408 1.00 1.00 H new ATOM 0 HB VAL A 10 -8.553 12.770 -3.009 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -9.309 15.019 -2.306 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -9.121 13.935 -0.906 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -7.884 15.168 -1.250 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -7.819 14.771 -4.291 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -6.382 14.907 -3.250 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -6.574 13.499 -4.321 1.00 1.00 H new ATOM 134 N ALA A 11 -8.341 11.106 -0.711 1.00 1.00 N ATOM 135 CA ALA A 11 -9.089 10.480 0.367 1.00 1.00 C ATOM 136 C ALA A 11 -8.197 10.232 1.573 1.00 1.00 C ATOM 137 O ALA A 11 -8.589 10.499 2.709 1.00 1.00 O ATOM 138 CB ALA A 11 -9.694 9.158 -0.117 1.00 1.00 C ATOM 0 H ALA A 11 -8.517 10.707 -1.633 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.890 11.155 0.667 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -10.253 8.694 0.696 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -10.364 9.350 -0.955 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -8.896 8.488 -0.437 1.00 1.00 H new ATOM 144 N ILE A 12 -7.005 9.716 1.330 1.00 1.00 N ATOM 145 CA ILE A 12 -6.088 9.439 2.418 1.00 1.00 C ATOM 146 C ILE A 12 -5.600 10.731 3.054 1.00 1.00 C ATOM 147 O ILE A 12 -5.569 10.867 4.276 1.00 1.00 O ATOM 148 CB ILE A 12 -4.907 8.656 1.868 1.00 1.00 C ATOM 149 CG1 ILE A 12 -5.411 7.294 1.382 1.00 1.00 C ATOM 150 CG2 ILE A 12 -3.848 8.463 2.963 1.00 1.00 C ATOM 151 CD1 ILE A 12 -4.404 6.709 0.398 1.00 1.00 C ATOM 0 H ILE A 12 -6.654 9.483 0.401 1.00 1.00 H new ATOM 0 HA ILE A 12 -6.602 8.859 3.184 1.00 1.00 H new ATOM 0 HB ILE A 12 -4.453 9.202 1.041 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -5.545 6.620 2.228 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -6.384 7.403 0.903 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -3.006 7.901 2.560 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -3.502 9.437 3.310 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -4.284 7.914 3.798 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -4.758 5.739 0.049 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -4.293 7.382 -0.452 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -3.440 6.587 0.893 1.00 1.00 H new ATOM 163 N GLN A 13 -5.180 11.667 2.206 1.00 1.00 N ATOM 164 CA GLN A 13 -4.657 12.928 2.693 1.00 1.00 C ATOM 165 C GLN A 13 -5.526 13.450 3.831 1.00 1.00 C ATOM 166 O GLN A 13 -5.014 13.915 4.849 1.00 1.00 O ATOM 167 CB GLN A 13 -4.589 13.962 1.547 1.00 1.00 C ATOM 168 CG GLN A 13 -3.275 14.750 1.623 1.00 1.00 C ATOM 169 CD GLN A 13 -2.133 13.905 1.068 1.00 1.00 C ATOM 170 OE1 GLN A 13 -2.269 13.324 -0.005 1.00 1.00 O ATOM 171 NE2 GLN A 13 -1.011 13.799 1.732 1.00 1.00 N ATOM 0 H GLN A 13 -5.193 11.572 1.190 1.00 1.00 H new ATOM 0 HA GLN A 13 -3.647 12.767 3.070 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -4.663 13.455 0.585 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -5.436 14.645 1.613 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -3.363 15.677 1.056 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -3.066 15.027 2.656 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -0.898 14.282 2.623 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -0.249 13.234 1.358 1.00 1.00 H new ATOM 180 N GLU A 14 -6.843 13.393 3.650 1.00 1.00 N ATOM 181 CA GLU A 14 -7.747 13.887 4.679 1.00 1.00 C ATOM 182 C GLU A 14 -7.640 13.033 5.937 1.00 1.00 C ATOM 183 O GLU A 14 -7.619 13.548 7.056 1.00 1.00 O ATOM 184 CB GLU A 14 -9.186 13.852 4.157 1.00 1.00 C ATOM 185 CG GLU A 14 -9.347 14.869 3.027 1.00 1.00 C ATOM 186 CD GLU A 14 -10.751 14.776 2.436 1.00 1.00 C ATOM 187 OE1 GLU A 14 -11.531 13.980 2.933 1.00 1.00 O ATOM 188 OE2 GLU A 14 -11.026 15.504 1.496 1.00 1.00 O ATOM 0 H GLU A 14 -7.299 13.018 2.818 1.00 1.00 H new ATOM 0 HA GLU A 14 -7.471 14.912 4.926 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -9.429 12.852 3.797 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -9.882 14.078 4.965 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -9.169 15.876 3.405 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -8.604 14.683 2.251 1.00 1.00 H new ATOM 195 N THR A 15 -7.587 11.723 5.738 1.00 1.00 N ATOM 196 CA THR A 15 -7.498 10.786 6.852 1.00 1.00 C ATOM 197 C THR A 15 -6.101 10.767 7.466 1.00 1.00 C ATOM 198 O THR A 15 -5.951 10.527 8.664 1.00 1.00 O ATOM 199 CB THR A 15 -7.840 9.373 6.381 1.00 1.00 C ATOM 200 OG1 THR A 15 -6.851 8.938 5.465 1.00 1.00 O ATOM 201 CG2 THR A 15 -9.215 9.353 5.694 1.00 1.00 C ATOM 0 H THR A 15 -7.604 11.284 4.817 1.00 1.00 H new ATOM 0 HA THR A 15 -8.210 11.118 7.608 1.00 1.00 H new ATOM 0 HB THR A 15 -7.870 8.708 7.244 1.00 1.00 H new ATOM 0 HG1 THR A 15 -6.372 9.715 5.107 1.00 1.00 H new ATOM 0 HG21 THR A 15 -9.443 8.339 5.365 1.00 1.00 H new ATOM 0 HG22 THR A 15 -9.978 9.686 6.397 1.00 1.00 H new ATOM 0 HG23 THR A 15 -9.201 10.020 4.832 1.00 1.00 H new ATOM 209 N LEU A 16 -5.082 10.976 6.635 1.00 1.00 N ATOM 210 CA LEU A 16 -3.705 10.936 7.120 1.00 1.00 C ATOM 211 C LEU A 16 -3.494 11.972 8.221 1.00 1.00 C ATOM 212 O LEU A 16 -4.194 11.956 9.231 1.00 1.00 O ATOM 213 CB LEU A 16 -2.725 11.170 5.950 1.00 1.00 C ATOM 214 CG LEU A 16 -1.278 10.788 6.339 1.00 1.00 C ATOM 215 CD1 LEU A 16 -1.199 9.314 6.788 1.00 1.00 C ATOM 216 CD2 LEU A 16 -0.372 11.001 5.121 1.00 1.00 C ATOM 0 H LEU A 16 -5.181 11.172 5.639 1.00 1.00 H new ATOM 0 HA LEU A 16 -3.510 9.951 7.543 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -3.039 10.581 5.088 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -2.758 12.217 5.650 1.00 1.00 H new ATOM 0 HG LEU A 16 -0.955 11.415 7.170 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -0.171 9.070 7.056 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -1.846 9.162 7.652 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -1.525 8.667 5.973 1.00 1.00 H new ATOM 0 HD21 LEU A 16 0.653 10.736 5.379 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -0.714 10.372 4.299 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -0.411 12.047 4.817 1.00 1.00 H new ATOM 228 N VAL A 17 -2.559 12.888 8.014 1.00 1.00 N ATOM 229 CA VAL A 17 -2.288 13.937 8.990 1.00 1.00 C ATOM 230 C VAL A 17 -1.458 15.027 8.321 1.00 1.00 C ATOM 231 O VAL A 17 -0.673 14.745 7.414 1.00 1.00 O ATOM 232 CB VAL A 17 -1.521 13.376 10.207 1.00 1.00 C ATOM 233 CG1 VAL A 17 -2.462 12.580 11.133 1.00 1.00 C ATOM 234 CG2 VAL A 17 -0.388 12.460 9.720 1.00 1.00 C ATOM 0 H VAL A 17 -1.974 12.927 7.179 1.00 1.00 H new ATOM 0 HA VAL A 17 -3.235 14.344 9.344 1.00 1.00 H new ATOM 0 HB VAL A 17 -1.108 14.213 10.770 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -1.897 12.196 11.982 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -3.257 13.233 11.492 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -2.898 11.748 10.580 1.00 1.00 H new ATOM 0 HG21 VAL A 17 0.154 12.064 10.579 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -0.809 11.636 9.144 1.00 1.00 H new ATOM 0 HG23 VAL A 17 0.296 13.030 9.091 1.00 1.00 H new ATOM 244 N GLU A 18 -1.645 16.272 8.741 1.00 1.00 N ATOM 245 CA GLU A 18 -0.921 17.385 8.144 1.00 1.00 C ATOM 246 C GLU A 18 0.574 17.340 8.468 1.00 1.00 C ATOM 247 O GLU A 18 0.977 17.508 9.618 1.00 1.00 O ATOM 248 CB GLU A 18 -1.508 18.700 8.660 1.00 1.00 C ATOM 249 CG GLU A 18 -2.941 18.855 8.149 1.00 1.00 C ATOM 250 CD GLU A 18 -2.938 19.099 6.643 1.00 1.00 C ATOM 251 OE1 GLU A 18 -1.868 19.304 6.096 1.00 1.00 O ATOM 252 OE2 GLU A 18 -4.008 19.070 6.057 1.00 1.00 O ATOM 0 H GLU A 18 -2.288 16.535 9.488 1.00 1.00 H new ATOM 0 HA GLU A 18 -1.029 17.311 7.062 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.496 18.713 9.750 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.898 19.539 8.325 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -3.516 17.958 8.379 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.429 19.686 8.659 1.00 1.00 H new ATOM 259 N GLY A 19 1.390 17.131 7.432 1.00 1.00 N ATOM 260 CA GLY A 19 2.847 17.090 7.600 1.00 1.00 C ATOM 261 C GLY A 19 3.493 16.013 6.733 1.00 1.00 C ATOM 262 O GLY A 19 4.672 16.112 6.390 1.00 1.00 O ATOM 0 H GLY A 19 1.071 16.988 6.474 1.00 1.00 H new ATOM 0 HA2 GLY A 19 3.269 18.062 7.345 1.00 1.00 H new ATOM 0 HA3 GLY A 19 3.086 16.904 8.647 1.00 1.00 H new ATOM 266 N GLU A 20 2.725 14.983 6.379 1.00 1.00 N ATOM 267 CA GLU A 20 3.253 13.896 5.548 1.00 1.00 C ATOM 268 C GLU A 20 2.821 14.062 4.095 1.00 1.00 C ATOM 269 O GLU A 20 1.839 14.741 3.794 1.00 1.00 O ATOM 270 CB GLU A 20 2.801 12.542 6.096 1.00 1.00 C ATOM 271 CG GLU A 20 3.409 11.419 5.253 1.00 1.00 C ATOM 272 CD GLU A 20 3.143 10.069 5.904 1.00 1.00 C ATOM 273 OE1 GLU A 20 2.343 10.024 6.823 1.00 1.00 O ATOM 274 OE2 GLU A 20 3.745 9.098 5.476 1.00 1.00 O ATOM 0 H GLU A 20 1.747 14.876 6.649 1.00 1.00 H new ATOM 0 HA GLU A 20 4.342 13.937 5.580 1.00 1.00 H new ATOM 0 HB2 GLU A 20 3.110 12.438 7.136 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.713 12.476 6.078 1.00 1.00 H new ATOM 0 HG2 GLU A 20 2.984 11.437 4.249 1.00 1.00 H new ATOM 0 HG3 GLU A 20 4.483 11.574 5.147 1.00 1.00 H new ATOM 281 N TYR A 21 3.592 13.456 3.198 1.00 1.00 N ATOM 282 CA TYR A 21 3.338 13.547 1.761 1.00 1.00 C ATOM 283 C TYR A 21 2.848 12.220 1.198 1.00 1.00 C ATOM 284 O TYR A 21 3.536 11.205 1.288 1.00 1.00 O ATOM 285 CB TYR A 21 4.641 13.940 1.056 1.00 1.00 C ATOM 286 CG TYR A 21 4.358 14.381 -0.359 1.00 1.00 C ATOM 287 CD1 TYR A 21 4.325 13.438 -1.389 1.00 1.00 C ATOM 288 CD2 TYR A 21 4.146 15.736 -0.640 1.00 1.00 C ATOM 289 CE1 TYR A 21 4.081 13.845 -2.703 1.00 1.00 C ATOM 290 CE2 TYR A 21 3.897 16.144 -1.954 1.00 1.00 C ATOM 291 CZ TYR A 21 3.865 15.199 -2.988 1.00 1.00 C ATOM 292 OH TYR A 21 3.624 15.601 -4.285 1.00 1.00 O ATOM 0 H TYR A 21 4.406 12.891 3.442 1.00 1.00 H new ATOM 0 HA TYR A 21 2.563 14.295 1.592 1.00 1.00 H new ATOM 0 HB2 TYR A 21 5.131 14.745 1.604 1.00 1.00 H new ATOM 0 HB3 TYR A 21 5.329 13.094 1.050 1.00 1.00 H new ATOM 0 HD1 TYR A 21 4.488 12.393 -1.169 1.00 1.00 H new ATOM 0 HD2 TYR A 21 4.175 16.465 0.157 1.00 1.00 H new ATOM 0 HE1 TYR A 21 4.059 13.115 -3.499 1.00 1.00 H new ATOM 0 HE2 TYR A 21 3.729 17.188 -2.172 1.00 1.00 H new ATOM 0 HH TYR A 21 3.494 16.572 -4.308 1.00 1.00 H new ATOM 302 N CYS A 22 1.681 12.251 0.563 1.00 1.00 N ATOM 303 CA CYS A 22 1.133 11.056 -0.077 1.00 1.00 C ATOM 304 C CYS A 22 1.486 11.129 -1.555 1.00 1.00 C ATOM 305 O CYS A 22 1.417 12.201 -2.157 1.00 1.00 O ATOM 306 CB CYS A 22 -0.388 10.973 0.114 1.00 1.00 C ATOM 307 SG CYS A 22 -0.907 9.243 -0.025 1.00 1.00 S ATOM 0 H CYS A 22 1.098 13.084 0.477 1.00 1.00 H new ATOM 0 HA CYS A 22 1.557 10.160 0.375 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -0.667 11.373 1.089 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -0.895 11.580 -0.636 1.00 1.00 H new ATOM 0 HG CYS A 22 -2.194 9.162 0.138 1.00 1.00 H new ATOM 313 N VAL A 23 1.881 10.006 -2.143 1.00 1.00 N ATOM 314 CA VAL A 23 2.263 9.980 -3.556 1.00 1.00 C ATOM 315 C VAL A 23 1.197 9.305 -4.410 1.00 1.00 C ATOM 316 O VAL A 23 0.880 9.762 -5.509 1.00 1.00 O ATOM 317 CB VAL A 23 3.572 9.206 -3.705 1.00 1.00 C ATOM 318 CG1 VAL A 23 3.972 9.142 -5.181 1.00 1.00 C ATOM 319 CG2 VAL A 23 4.671 9.910 -2.907 1.00 1.00 C ATOM 0 H VAL A 23 1.946 9.105 -1.670 1.00 1.00 H new ATOM 0 HA VAL A 23 2.378 11.009 -3.895 1.00 1.00 H new ATOM 0 HB VAL A 23 3.437 8.193 -3.327 1.00 1.00 H new ATOM 0 HG11 VAL A 23 4.906 8.589 -5.281 1.00 1.00 H new ATOM 0 HG12 VAL A 23 3.189 8.638 -5.749 1.00 1.00 H new ATOM 0 HG13 VAL A 23 4.106 10.153 -5.566 1.00 1.00 H new ATOM 0 HG21 VAL A 23 5.606 9.360 -3.012 1.00 1.00 H new ATOM 0 HG22 VAL A 23 4.802 10.924 -3.285 1.00 1.00 H new ATOM 0 HG23 VAL A 23 4.389 9.949 -1.855 1.00 1.00 H new ATOM 329 N ILE A 24 0.661 8.201 -3.906 1.00 1.00 N ATOM 330 CA ILE A 24 -0.348 7.456 -4.646 1.00 1.00 C ATOM 331 C ILE A 24 -1.036 6.427 -3.754 1.00 1.00 C ATOM 332 O ILE A 24 -0.598 6.168 -2.632 1.00 1.00 O ATOM 333 CB ILE A 24 0.327 6.776 -5.840 1.00 1.00 C ATOM 334 CG1 ILE A 24 -0.674 5.887 -6.590 1.00 1.00 C ATOM 335 CG2 ILE A 24 1.495 5.926 -5.349 1.00 1.00 C ATOM 336 CD1 ILE A 24 -0.120 5.554 -7.974 1.00 1.00 C ATOM 0 H ILE A 24 0.905 7.805 -2.998 1.00 1.00 H new ATOM 0 HA ILE A 24 -1.119 8.141 -4.999 1.00 1.00 H new ATOM 0 HB ILE A 24 0.691 7.545 -6.521 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -0.855 4.970 -6.028 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -1.632 6.398 -6.683 1.00 1.00 H new ATOM 0 HG21 ILE A 24 1.975 5.442 -6.199 1.00 1.00 H new ATOM 0 HG22 ILE A 24 2.218 6.562 -4.837 1.00 1.00 H new ATOM 0 HG23 ILE A 24 1.127 5.166 -4.659 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -0.830 4.922 -8.508 1.00 1.00 H new ATOM 0 HD12 ILE A 24 0.038 6.476 -8.534 1.00 1.00 H new ATOM 0 HD13 ILE A 24 0.828 5.026 -7.869 1.00 1.00 H new ATOM 348 N ALA A 25 -2.119 5.851 -4.257 1.00 1.00 N ATOM 349 CA ALA A 25 -2.864 4.859 -3.501 1.00 1.00 C ATOM 350 C ALA A 25 -3.890 4.187 -4.387 1.00 1.00 C ATOM 351 O ALA A 25 -4.844 4.822 -4.826 1.00 1.00 O ATOM 352 CB ALA A 25 -3.589 5.524 -2.332 1.00 1.00 C ATOM 0 H ALA A 25 -2.499 6.054 -5.182 1.00 1.00 H new ATOM 0 HA ALA A 25 -2.159 4.117 -3.126 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -4.144 4.771 -1.772 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -2.861 6.000 -1.676 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -4.280 6.276 -2.713 1.00 1.00 H new ATOM 358 N VAL A 26 -3.690 2.902 -4.664 1.00 1.00 N ATOM 359 CA VAL A 26 -4.615 2.157 -5.516 1.00 1.00 C ATOM 360 C VAL A 26 -5.286 1.051 -4.725 1.00 1.00 C ATOM 361 O VAL A 26 -4.653 0.065 -4.350 1.00 1.00 O ATOM 362 CB VAL A 26 -3.849 1.566 -6.703 1.00 1.00 C ATOM 363 CG1 VAL A 26 -3.103 2.698 -7.465 1.00 1.00 C ATOM 364 CG2 VAL A 26 -2.848 0.498 -6.199 1.00 1.00 C ATOM 0 H VAL A 26 -2.902 2.357 -4.314 1.00 1.00 H new ATOM 0 HA VAL A 26 -5.386 2.834 -5.884 1.00 1.00 H new ATOM 0 HB VAL A 26 -4.551 1.091 -7.388 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -2.560 2.272 -8.308 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -3.825 3.428 -7.830 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -2.400 3.188 -6.791 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -2.305 0.080 -7.046 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -2.142 0.958 -5.507 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -3.391 -0.297 -5.688 1.00 1.00 H new ATOM 374 N GLN A 27 -6.570 1.236 -4.455 1.00 1.00 N ATOM 375 CA GLN A 27 -7.325 0.266 -3.684 1.00 1.00 C ATOM 376 C GLN A 27 -7.312 -1.092 -4.373 1.00 1.00 C ATOM 377 O GLN A 27 -7.100 -1.190 -5.580 1.00 1.00 O ATOM 378 CB GLN A 27 -8.766 0.754 -3.531 1.00 1.00 C ATOM 379 CG GLN A 27 -9.551 -0.223 -2.656 1.00 1.00 C ATOM 380 CD GLN A 27 -10.917 0.360 -2.319 1.00 1.00 C ATOM 381 OE1 GLN A 27 -11.739 -0.322 -1.568 1.00 1.00 O flip ATOM 382 NE2 GLN A 27 -11.245 1.466 -2.749 1.00 1.00 N flip ATOM 0 H GLN A 27 -7.108 2.048 -4.759 1.00 1.00 H new ATOM 0 HA GLN A 27 -6.865 0.159 -2.701 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -8.778 1.748 -3.084 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -9.237 0.839 -4.510 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.671 -1.174 -3.176 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -8.998 -0.428 -1.739 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -10.601 1.997 -3.335 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -12.161 1.852 -2.519 1.00 1.00 H new ATOM 391 N GLY A 28 -7.530 -2.134 -3.584 1.00 1.00 N ATOM 392 CA GLY A 28 -7.536 -3.489 -4.114 1.00 1.00 C ATOM 393 C GLY A 28 -8.465 -4.385 -3.321 1.00 1.00 C ATOM 394 O GLY A 28 -9.347 -3.918 -2.602 1.00 1.00 O ATOM 0 H GLY A 28 -7.704 -2.068 -2.581 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -7.847 -3.472 -5.158 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -6.525 -3.896 -4.089 1.00 1.00 H new ATOM 398 N VAL A 29 -8.238 -5.682 -3.450 1.00 1.00 N ATOM 399 CA VAL A 29 -9.027 -6.676 -2.740 1.00 1.00 C ATOM 400 C VAL A 29 -8.103 -7.715 -2.133 1.00 1.00 C ATOM 401 O VAL A 29 -6.971 -7.889 -2.575 1.00 1.00 O ATOM 402 CB VAL A 29 -10.020 -7.356 -3.692 1.00 1.00 C ATOM 403 CG1 VAL A 29 -11.099 -8.085 -2.889 1.00 1.00 C ATOM 404 CG2 VAL A 29 -10.677 -6.300 -4.584 1.00 1.00 C ATOM 0 H VAL A 29 -7.508 -6.074 -4.045 1.00 1.00 H new ATOM 0 HA VAL A 29 -9.590 -6.180 -1.949 1.00 1.00 H new ATOM 0 HB VAL A 29 -9.485 -8.077 -4.310 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -11.799 -8.565 -3.573 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -10.634 -8.841 -2.257 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -11.634 -7.369 -2.265 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -11.382 -6.783 -5.260 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -11.206 -5.577 -3.963 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -9.911 -5.787 -5.165 1.00 1.00 H new ATOM 414 N LEU A 30 -8.613 -8.426 -1.149 1.00 1.00 N ATOM 415 CA LEU A 30 -7.869 -9.491 -0.494 1.00 1.00 C ATOM 416 C LEU A 30 -8.846 -10.601 -0.178 1.00 1.00 C ATOM 417 O LEU A 30 -9.844 -10.371 0.504 1.00 1.00 O ATOM 418 CB LEU A 30 -7.216 -8.970 0.795 1.00 1.00 C ATOM 419 CG LEU A 30 -6.167 -9.986 1.331 1.00 1.00 C ATOM 420 CD1 LEU A 30 -4.970 -9.236 1.932 1.00 1.00 C ATOM 421 CD2 LEU A 30 -6.800 -10.882 2.413 1.00 1.00 C ATOM 0 H LEU A 30 -9.553 -8.285 -0.778 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.074 -9.857 -1.143 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.735 -8.011 0.603 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.981 -8.797 1.552 1.00 1.00 H new ATOM 0 HG LEU A 30 -5.829 -10.607 0.501 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.240 -9.955 2.305 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.508 -8.614 1.165 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -5.311 -8.606 2.753 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.056 -11.589 2.781 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.151 -10.263 3.238 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.641 -11.429 1.986 1.00 1.00 H new ATOM 433 N CYS A 31 -8.591 -11.801 -0.691 1.00 1.00 N ATOM 434 CA CYS A 31 -9.496 -12.923 -0.466 1.00 1.00 C ATOM 435 C CYS A 31 -8.876 -13.948 0.466 1.00 1.00 C ATOM 436 O CYS A 31 -7.718 -14.337 0.306 1.00 1.00 O ATOM 437 CB CYS A 31 -9.813 -13.590 -1.805 1.00 1.00 C ATOM 438 SG CYS A 31 -10.695 -15.144 -1.515 1.00 1.00 S ATOM 0 H CYS A 31 -7.773 -12.020 -1.260 1.00 1.00 H new ATOM 0 HA CYS A 31 -10.408 -12.543 -0.005 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -10.420 -12.925 -2.420 1.00 1.00 H new ATOM 0 HB3 CYS A 31 -8.892 -13.780 -2.355 1.00 1.00 H new ATOM 0 HG CYS A 31 -10.965 -15.709 -2.654 1.00 1.00 H new ATOM 444 N LYS A 32 -9.675 -14.411 1.421 1.00 1.00 N ATOM 445 CA LYS A 32 -9.237 -15.433 2.367 1.00 1.00 C ATOM 446 C LYS A 32 -10.192 -16.611 2.303 1.00 1.00 C ATOM 447 O LYS A 32 -11.382 -16.470 2.584 1.00 1.00 O ATOM 448 CB LYS A 32 -9.211 -14.878 3.797 1.00 1.00 C ATOM 449 CG LYS A 32 -8.464 -15.866 4.717 1.00 1.00 C ATOM 450 CD LYS A 32 -6.948 -15.587 4.682 1.00 1.00 C ATOM 451 CE LYS A 32 -6.593 -14.526 5.727 1.00 1.00 C ATOM 452 NZ LYS A 32 -5.123 -14.278 5.710 1.00 1.00 N ATOM 0 H LYS A 32 -10.634 -14.093 1.561 1.00 1.00 H new ATOM 0 HA LYS A 32 -8.229 -15.749 2.100 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -8.718 -13.906 3.813 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -10.228 -14.726 4.158 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -8.834 -15.774 5.738 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -8.660 -16.890 4.398 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -6.395 -16.505 4.880 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -6.654 -15.246 3.689 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -7.130 -13.601 5.518 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -6.904 -14.858 6.717 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -4.920 -13.364 6.163 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -4.637 -15.037 6.228 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -4.785 -14.259 4.726 1.00 1.00 H new ATOM 466 N GLY A 33 -9.671 -17.773 1.930 1.00 1.00 N ATOM 467 CA GLY A 33 -10.495 -18.967 1.834 1.00 1.00 C ATOM 468 C GLY A 33 -11.682 -18.734 0.906 1.00 1.00 C ATOM 469 O GLY A 33 -11.546 -18.764 -0.318 1.00 1.00 O ATOM 0 H GLY A 33 -8.689 -17.912 1.691 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -9.896 -19.799 1.463 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.852 -19.248 2.825 1.00 1.00 H new ATOM 473 N ASP A 34 -12.845 -18.487 1.505 1.00 1.00 N ATOM 474 CA ASP A 34 -14.067 -18.231 0.744 1.00 1.00 C ATOM 475 C ASP A 34 -14.733 -16.969 1.272 1.00 1.00 C ATOM 476 O ASP A 34 -15.947 -16.792 1.158 1.00 1.00 O ATOM 477 CB ASP A 34 -15.022 -19.419 0.866 1.00 1.00 C ATOM 478 CG ASP A 34 -14.491 -20.597 0.056 1.00 1.00 C ATOM 479 OD1 ASP A 34 -13.571 -20.392 -0.720 1.00 1.00 O ATOM 480 OD2 ASP A 34 -15.015 -21.687 0.218 1.00 1.00 O ATOM 0 H ASP A 34 -12.967 -18.459 2.517 1.00 1.00 H new ATOM 0 HA ASP A 34 -13.815 -18.095 -0.308 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -15.129 -19.705 1.912 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -16.013 -19.138 0.509 1.00 1.00 H new ATOM 485 N SER A 35 -13.915 -16.085 1.845 1.00 1.00 N ATOM 486 CA SER A 35 -14.400 -14.816 2.391 1.00 1.00 C ATOM 487 C SER A 35 -13.615 -13.665 1.776 1.00 1.00 C ATOM 488 O SER A 35 -12.398 -13.585 1.935 1.00 1.00 O ATOM 489 CB SER A 35 -14.212 -14.803 3.908 1.00 1.00 C ATOM 490 OG SER A 35 -14.672 -13.563 4.430 1.00 1.00 O ATOM 0 H SER A 35 -12.909 -16.225 1.943 1.00 1.00 H new ATOM 0 HA SER A 35 -15.458 -14.704 2.156 1.00 1.00 H new ATOM 0 HB2 SER A 35 -14.763 -15.628 4.361 1.00 1.00 H new ATOM 0 HB3 SER A 35 -13.161 -14.947 4.157 1.00 1.00 H new ATOM 0 HG SER A 35 -14.554 -13.553 5.403 1.00 1.00 H new ATOM 496 N ARG A 36 -14.306 -12.779 1.062 1.00 1.00 N ATOM 497 CA ARG A 36 -13.640 -11.648 0.420 1.00 1.00 C ATOM 498 C ARG A 36 -13.516 -10.478 1.384 1.00 1.00 C ATOM 499 O ARG A 36 -14.410 -10.216 2.189 1.00 1.00 O ATOM 500 CB ARG A 36 -14.431 -11.212 -0.815 1.00 1.00 C ATOM 501 CG ARG A 36 -14.625 -12.393 -1.778 1.00 1.00 C ATOM 502 CD ARG A 36 -13.299 -12.776 -2.444 1.00 1.00 C ATOM 503 NE ARG A 36 -13.539 -13.735 -3.519 1.00 1.00 N ATOM 504 CZ ARG A 36 -13.579 -15.044 -3.285 1.00 1.00 C ATOM 505 NH1 ARG A 36 -13.414 -15.498 -2.071 1.00 1.00 N ATOM 506 NH2 ARG A 36 -13.784 -15.875 -4.269 1.00 1.00 N ATOM 0 H ARG A 36 -15.314 -12.821 0.914 1.00 1.00 H new ATOM 0 HA ARG A 36 -12.640 -11.962 0.122 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -15.402 -10.820 -0.512 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -13.905 -10.404 -1.323 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -15.025 -13.249 -1.235 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -15.357 -12.129 -2.541 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -12.812 -11.886 -2.842 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -12.623 -13.207 -1.706 1.00 1.00 H new ATOM 0 HE ARG A 36 -13.679 -13.394 -4.470 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -13.254 -14.848 -1.301 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -13.445 -16.502 -1.893 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -13.913 -15.521 -5.217 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -13.815 -16.879 -4.091 1.00 1.00 H new ATOM 520 N GLN A 37 -12.387 -9.782 1.291 1.00 1.00 N ATOM 521 CA GLN A 37 -12.113 -8.635 2.153 1.00 1.00 C ATOM 522 C GLN A 37 -11.620 -7.456 1.325 1.00 1.00 C ATOM 523 O GLN A 37 -10.733 -7.597 0.484 1.00 1.00 O ATOM 524 CB GLN A 37 -11.054 -9.025 3.182 1.00 1.00 C ATOM 525 CG GLN A 37 -11.639 -10.075 4.132 1.00 1.00 C ATOM 526 CD GLN A 37 -10.532 -10.693 4.971 1.00 1.00 C ATOM 527 OE1 GLN A 37 -10.483 -10.497 6.186 1.00 1.00 O ATOM 528 NE2 GLN A 37 -9.638 -11.441 4.386 1.00 1.00 N ATOM 0 H GLN A 37 -11.644 -9.993 0.625 1.00 1.00 H new ATOM 0 HA GLN A 37 -13.031 -8.340 2.662 1.00 1.00 H new ATOM 0 HB2 GLN A 37 -10.171 -9.422 2.681 1.00 1.00 H new ATOM 0 HB3 GLN A 37 -10.734 -8.147 3.743 1.00 1.00 H new ATOM 0 HG2 GLN A 37 -12.384 -9.615 4.781 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -12.149 -10.850 3.560 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -9.685 -11.599 3.379 1.00 1.00 H new ATOM 0 HE22 GLN A 37 -8.892 -11.868 4.935 1.00 1.00 H new ATOM 537 N SER A 38 -12.200 -6.288 1.583 1.00 1.00 N ATOM 538 CA SER A 38 -11.810 -5.073 0.869 1.00 1.00 C ATOM 539 C SER A 38 -10.803 -4.280 1.693 1.00 1.00 C ATOM 540 O SER A 38 -11.048 -3.951 2.854 1.00 1.00 O ATOM 541 CB SER A 38 -13.030 -4.210 0.568 1.00 1.00 C ATOM 542 OG SER A 38 -14.087 -5.038 0.100 1.00 1.00 O ATOM 0 H SER A 38 -12.937 -6.155 2.276 1.00 1.00 H new ATOM 0 HA SER A 38 -11.349 -5.363 -0.075 1.00 1.00 H new ATOM 0 HB2 SER A 38 -13.342 -3.675 1.465 1.00 1.00 H new ATOM 0 HB3 SER A 38 -12.782 -3.458 -0.182 1.00 1.00 H new ATOM 0 HG SER A 38 -14.874 -4.486 -0.093 1.00 1.00 H new ATOM 548 N ARG A 39 -9.662 -3.989 1.080 1.00 1.00 N ATOM 549 CA ARG A 39 -8.590 -3.246 1.745 1.00 1.00 C ATOM 550 C ARG A 39 -8.125 -2.079 0.881 1.00 1.00 C ATOM 551 O ARG A 39 -8.227 -2.115 -0.347 1.00 1.00 O ATOM 552 CB ARG A 39 -7.416 -4.183 2.012 1.00 1.00 C ATOM 553 CG ARG A 39 -7.773 -5.160 3.136 1.00 1.00 C ATOM 554 CD ARG A 39 -6.594 -6.106 3.376 1.00 1.00 C ATOM 555 NE ARG A 39 -6.925 -7.077 4.416 1.00 1.00 N ATOM 556 CZ ARG A 39 -6.754 -6.798 5.705 1.00 1.00 C ATOM 557 NH1 ARG A 39 -6.299 -5.628 6.066 1.00 1.00 N ATOM 558 NH2 ARG A 39 -7.042 -7.692 6.609 1.00 1.00 N ATOM 0 H ARG A 39 -9.451 -4.256 0.118 1.00 1.00 H new ATOM 0 HA ARG A 39 -8.971 -2.850 2.686 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -7.166 -4.734 1.105 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -6.534 -3.605 2.287 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -8.007 -4.612 4.049 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -8.663 -5.730 2.869 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -6.342 -6.625 2.451 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -5.714 -5.534 3.670 1.00 1.00 H new ATOM 0 HE ARG A 39 -7.295 -7.989 4.148 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -6.075 -4.928 5.359 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -6.168 -5.415 7.055 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -7.398 -8.605 6.328 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -6.911 -7.478 7.598 1.00 1.00 H new ATOM 572 N LEU A 40 -7.617 -1.041 1.540 1.00 1.00 N ATOM 573 CA LEU A 40 -7.133 0.159 0.843 1.00 1.00 C ATOM 574 C LEU A 40 -5.669 0.416 1.189 1.00 1.00 C ATOM 575 O LEU A 40 -5.302 0.442 2.362 1.00 1.00 O ATOM 576 CB LEU A 40 -8.006 1.361 1.245 1.00 1.00 C ATOM 577 CG LEU A 40 -7.730 2.582 0.323 1.00 1.00 C ATOM 578 CD1 LEU A 40 -9.023 3.373 0.103 1.00 1.00 C ATOM 579 CD2 LEU A 40 -6.696 3.516 0.967 1.00 1.00 C ATOM 0 H LEU A 40 -7.528 -1.002 2.555 1.00 1.00 H new ATOM 0 HA LEU A 40 -7.203 0.010 -0.234 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -9.059 1.086 1.186 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -7.805 1.631 2.282 1.00 1.00 H new ATOM 0 HG LEU A 40 -7.349 2.210 -0.628 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -8.822 4.227 -0.544 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -9.768 2.730 -0.366 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -9.401 3.726 1.062 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -6.514 4.366 0.309 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -7.075 3.873 1.925 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -5.764 2.973 1.125 1.00 1.00 H new ATOM 591 N LEU A 41 -4.822 0.587 0.167 1.00 1.00 N ATOM 592 CA LEU A 41 -3.391 0.820 0.392 1.00 1.00 C ATOM 593 C LEU A 41 -3.018 2.268 0.106 1.00 1.00 C ATOM 594 O LEU A 41 -3.854 3.059 -0.332 1.00 1.00 O ATOM 595 CB LEU A 41 -2.563 -0.083 -0.532 1.00 1.00 C ATOM 596 CG LEU A 41 -2.994 -1.563 -0.371 1.00 1.00 C ATOM 597 CD1 LEU A 41 -4.062 -1.920 -1.414 1.00 1.00 C ATOM 598 CD2 LEU A 41 -1.782 -2.479 -0.576 1.00 1.00 C ATOM 0 H LEU A 41 -5.099 0.569 -0.814 1.00 1.00 H new ATOM 0 HA LEU A 41 -3.180 0.594 1.437 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -2.693 0.229 -1.568 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -1.503 0.021 -0.298 1.00 1.00 H new ATOM 0 HG LEU A 41 -3.401 -1.699 0.631 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -4.357 -2.962 -1.291 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -4.932 -1.278 -1.278 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -3.656 -1.774 -2.415 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -2.088 -3.519 -0.462 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -1.377 -2.328 -1.576 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -1.018 -2.243 0.165 1.00 1.00 H new ATOM 610 N GLY A 42 -1.752 2.603 0.340 1.00 1.00 N ATOM 611 CA GLY A 42 -1.281 3.957 0.080 1.00 1.00 C ATOM 612 C GLY A 42 0.202 4.117 0.387 1.00 1.00 C ATOM 613 O GLY A 42 0.616 4.026 1.532 1.00 1.00 O ATOM 0 H GLY A 42 -1.044 1.965 0.704 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -1.464 4.210 -0.964 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -1.854 4.662 0.683 1.00 1.00 H new ATOM 617 N LEU A 43 0.994 4.369 -0.651 1.00 1.00 N ATOM 618 CA LEU A 43 2.432 4.565 -0.481 1.00 1.00 C ATOM 619 C LEU A 43 2.696 6.009 -0.064 1.00 1.00 C ATOM 620 O LEU A 43 2.083 6.936 -0.594 1.00 1.00 O ATOM 621 CB LEU A 43 3.158 4.238 -1.791 1.00 1.00 C ATOM 622 CG LEU A 43 4.659 4.534 -1.667 1.00 1.00 C ATOM 623 CD1 LEU A 43 5.268 3.748 -0.494 1.00 1.00 C ATOM 624 CD2 LEU A 43 5.354 4.126 -2.968 1.00 1.00 C ATOM 0 H LEU A 43 0.668 4.442 -1.615 1.00 1.00 H new ATOM 0 HA LEU A 43 2.808 3.899 0.295 1.00 1.00 H new ATOM 0 HB2 LEU A 43 3.009 3.188 -2.043 1.00 1.00 H new ATOM 0 HB3 LEU A 43 2.732 4.825 -2.605 1.00 1.00 H new ATOM 0 HG LEU A 43 4.799 5.599 -1.483 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.333 3.970 -0.421 1.00 1.00 H new ATOM 0 HD12 LEU A 43 4.773 4.036 0.433 1.00 1.00 H new ATOM 0 HD13 LEU A 43 5.131 2.680 -0.662 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.421 4.332 -2.890 1.00 1.00 H new ATOM 0 HD22 LEU A 43 5.202 3.061 -3.143 1.00 1.00 H new ATOM 0 HD23 LEU A 43 4.934 4.694 -3.798 1.00 1.00 H new ATOM 636 N VAL A 44 3.594 6.198 0.904 1.00 1.00 N ATOM 637 CA VAL A 44 3.906 7.542 1.401 1.00 1.00 C ATOM 638 C VAL A 44 5.403 7.766 1.525 1.00 1.00 C ATOM 639 O VAL A 44 6.140 6.908 2.011 1.00 1.00 O ATOM 640 CB VAL A 44 3.256 7.745 2.765 1.00 1.00 C ATOM 641 CG1 VAL A 44 1.736 7.700 2.611 1.00 1.00 C ATOM 642 CG2 VAL A 44 3.712 6.635 3.715 1.00 1.00 C ATOM 0 H VAL A 44 4.114 5.447 1.357 1.00 1.00 H new ATOM 0 HA VAL A 44 3.514 8.260 0.681 1.00 1.00 H new ATOM 0 HB VAL A 44 3.550 8.712 3.173 1.00 1.00 H new ATOM 0 HG11 VAL A 44 1.267 7.845 3.584 1.00 1.00 H new ATOM 0 HG12 VAL A 44 1.415 8.491 1.933 1.00 1.00 H new ATOM 0 HG13 VAL A 44 1.440 6.732 2.206 1.00 1.00 H new ATOM 0 HG21 VAL A 44 3.248 6.778 4.691 1.00 1.00 H new ATOM 0 HG22 VAL A 44 3.416 5.667 3.311 1.00 1.00 H new ATOM 0 HG23 VAL A 44 4.796 6.669 3.820 1.00 1.00 H new ATOM 652 N ARG A 45 5.837 8.955 1.109 1.00 1.00 N ATOM 653 CA ARG A 45 7.243 9.339 1.197 1.00 1.00 C ATOM 654 C ARG A 45 7.370 10.518 2.148 1.00 1.00 C ATOM 655 O ARG A 45 6.500 11.389 2.195 1.00 1.00 O ATOM 656 CB ARG A 45 7.775 9.730 -0.185 1.00 1.00 C ATOM 657 CG ARG A 45 7.069 11.018 -0.685 1.00 1.00 C ATOM 658 CD ARG A 45 7.993 12.229 -0.517 1.00 1.00 C ATOM 659 NE ARG A 45 9.135 12.115 -1.417 1.00 1.00 N ATOM 660 CZ ARG A 45 9.048 12.494 -2.688 1.00 1.00 C ATOM 661 NH1 ARG A 45 7.933 12.997 -3.145 1.00 1.00 N ATOM 662 NH2 ARG A 45 10.078 12.363 -3.480 1.00 1.00 N ATOM 0 H ARG A 45 5.232 9.671 0.706 1.00 1.00 H new ATOM 0 HA ARG A 45 7.827 8.496 1.567 1.00 1.00 H new ATOM 0 HB2 ARG A 45 8.852 9.892 -0.136 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.607 8.917 -0.891 1.00 1.00 H new ATOM 0 HG2 ARG A 45 6.792 10.906 -1.733 1.00 1.00 H new ATOM 0 HG3 ARG A 45 6.146 11.176 -0.127 1.00 1.00 H new ATOM 0 HD2 ARG A 45 7.444 13.147 -0.727 1.00 1.00 H new ATOM 0 HD3 ARG A 45 8.338 12.293 0.515 1.00 1.00 H new ATOM 0 HE ARG A 45 10.015 11.738 -1.065 1.00 1.00 H new ATOM 0 HH11 ARG A 45 7.128 13.099 -2.527 1.00 1.00 H new ATOM 0 HH12 ARG A 45 7.867 13.288 -4.120 1.00 1.00 H new ATOM 0 HH21 ARG A 45 10.949 11.970 -3.123 1.00 1.00 H new ATOM 0 HH22 ARG A 45 10.012 12.654 -4.455 1.00 1.00 H new ATOM 676 N TYR A 46 8.443 10.529 2.922 1.00 1.00 N ATOM 677 CA TYR A 46 8.678 11.595 3.895 1.00 1.00 C ATOM 678 C TYR A 46 10.119 12.094 3.784 1.00 1.00 C ATOM 679 O TYR A 46 11.044 11.303 3.620 1.00 1.00 O ATOM 680 CB TYR A 46 8.402 11.045 5.298 1.00 1.00 C ATOM 681 CG TYR A 46 8.476 12.153 6.317 1.00 1.00 C ATOM 682 CD1 TYR A 46 7.341 12.927 6.595 1.00 1.00 C ATOM 683 CD2 TYR A 46 9.674 12.395 6.995 1.00 1.00 C ATOM 684 CE1 TYR A 46 7.408 13.947 7.550 1.00 1.00 C ATOM 685 CE2 TYR A 46 9.741 13.415 7.949 1.00 1.00 C ATOM 686 CZ TYR A 46 8.609 14.192 8.227 1.00 1.00 C ATOM 687 OH TYR A 46 8.676 15.195 9.173 1.00 1.00 O ATOM 0 H TYR A 46 9.169 9.813 2.899 1.00 1.00 H new ATOM 0 HA TYR A 46 8.013 12.436 3.699 1.00 1.00 H new ATOM 0 HB2 TYR A 46 7.416 10.580 5.327 1.00 1.00 H new ATOM 0 HB3 TYR A 46 9.128 10.269 5.541 1.00 1.00 H new ATOM 0 HD1 TYR A 46 6.415 12.736 6.072 1.00 1.00 H new ATOM 0 HD2 TYR A 46 10.547 11.795 6.782 1.00 1.00 H new ATOM 0 HE1 TYR A 46 6.535 14.545 7.765 1.00 1.00 H new ATOM 0 HE2 TYR A 46 10.667 13.604 8.472 1.00 1.00 H new ATOM 0 HH TYR A 46 9.581 15.231 9.548 1.00 1.00 H new ATOM 697 N ARG A 47 10.307 13.415 3.855 1.00 1.00 N ATOM 698 CA ARG A 47 11.650 13.997 3.745 1.00 1.00 C ATOM 699 C ARG A 47 12.264 14.216 5.124 1.00 1.00 C ATOM 700 O ARG A 47 11.603 14.701 6.042 1.00 1.00 O ATOM 701 CB ARG A 47 11.589 15.331 2.986 1.00 1.00 C ATOM 702 CG ARG A 47 12.973 15.997 2.985 1.00 1.00 C ATOM 703 CD ARG A 47 12.961 17.223 2.073 1.00 1.00 C ATOM 704 NE ARG A 47 14.270 17.871 2.085 1.00 1.00 N ATOM 705 CZ ARG A 47 15.251 17.455 1.285 1.00 1.00 C ATOM 706 NH1 ARG A 47 15.056 16.444 0.485 1.00 1.00 N ATOM 707 NH2 ARG A 47 16.409 18.056 1.306 1.00 1.00 N ATOM 0 H ARG A 47 9.558 14.095 3.986 1.00 1.00 H new ATOM 0 HA ARG A 47 12.278 13.297 3.194 1.00 1.00 H new ATOM 0 HB2 ARG A 47 11.257 15.162 1.962 1.00 1.00 H new ATOM 0 HB3 ARG A 47 10.858 15.992 3.453 1.00 1.00 H new ATOM 0 HG2 ARG A 47 13.246 16.290 3.999 1.00 1.00 H new ATOM 0 HG3 ARG A 47 13.727 15.287 2.645 1.00 1.00 H new ATOM 0 HD2 ARG A 47 12.703 16.927 1.056 1.00 1.00 H new ATOM 0 HD3 ARG A 47 12.196 17.925 2.405 1.00 1.00 H new ATOM 0 HE ARG A 47 14.436 18.655 2.716 1.00 1.00 H new ATOM 0 HH11 ARG A 47 14.152 15.971 0.471 1.00 1.00 H new ATOM 0 HH12 ARG A 47 15.807 16.126 -0.127 1.00 1.00 H new ATOM 0 HH21 ARG A 47 16.563 18.844 1.935 1.00 1.00 H new ATOM 0 HH22 ARG A 47 17.160 17.738 0.694 1.00 1.00 H new ATOM 721 N LEU A 48 13.546 13.863 5.255 1.00 1.00 N ATOM 722 CA LEU A 48 14.262 14.031 6.521 1.00 1.00 C ATOM 723 C LEU A 48 15.105 15.300 6.491 1.00 1.00 C ATOM 724 O LEU A 48 15.768 15.597 5.497 1.00 1.00 O ATOM 725 CB LEU A 48 15.180 12.832 6.778 1.00 1.00 C ATOM 726 CG LEU A 48 14.354 11.551 6.952 1.00 1.00 C ATOM 727 CD1 LEU A 48 15.302 10.349 7.004 1.00 1.00 C ATOM 728 CD2 LEU A 48 13.534 11.615 8.257 1.00 1.00 C ATOM 0 H LEU A 48 14.106 13.461 4.503 1.00 1.00 H new ATOM 0 HA LEU A 48 13.523 14.103 7.319 1.00 1.00 H new ATOM 0 HB2 LEU A 48 15.875 12.714 5.947 1.00 1.00 H new ATOM 0 HB3 LEU A 48 15.779 13.010 7.671 1.00 1.00 H new ATOM 0 HG LEU A 48 13.668 11.450 6.111 1.00 1.00 H new ATOM 0 HD11 LEU A 48 14.723 9.434 7.128 1.00 1.00 H new ATOM 0 HD12 LEU A 48 15.872 10.295 6.077 1.00 1.00 H new ATOM 0 HD13 LEU A 48 15.986 10.462 7.845 1.00 1.00 H new ATOM 0 HD21 LEU A 48 12.953 10.699 8.367 1.00 1.00 H new ATOM 0 HD22 LEU A 48 14.209 11.720 9.106 1.00 1.00 H new ATOM 0 HD23 LEU A 48 12.860 12.471 8.221 1.00 1.00 H new ATOM 740 N GLU A 49 15.070 16.041 7.589 1.00 1.00 N ATOM 741 CA GLU A 49 15.829 17.278 7.693 1.00 1.00 C ATOM 742 C GLU A 49 17.301 17.029 7.374 1.00 1.00 C ATOM 743 O GLU A 49 18.066 17.965 7.142 1.00 1.00 O ATOM 744 CB GLU A 49 15.694 17.845 9.106 1.00 1.00 C ATOM 745 CG GLU A 49 14.247 18.281 9.338 1.00 1.00 C ATOM 746 CD GLU A 49 14.067 18.756 10.777 1.00 1.00 C ATOM 747 OE1 GLU A 49 15.052 18.792 11.495 1.00 1.00 O ATOM 748 OE2 GLU A 49 12.947 19.077 11.138 1.00 1.00 O ATOM 0 H GLU A 49 14.525 15.807 8.419 1.00 1.00 H new ATOM 0 HA GLU A 49 15.433 17.995 6.974 1.00 1.00 H new ATOM 0 HB2 GLU A 49 15.982 17.093 9.841 1.00 1.00 H new ATOM 0 HB3 GLU A 49 16.367 18.693 9.236 1.00 1.00 H new ATOM 0 HG2 GLU A 49 13.985 19.082 8.647 1.00 1.00 H new ATOM 0 HG3 GLU A 49 13.571 17.450 9.134 1.00 1.00 H new ATOM 755 N ASN A 50 17.690 15.756 7.370 1.00 1.00 N ATOM 756 CA ASN A 50 19.071 15.382 7.085 1.00 1.00 C ATOM 757 C ASN A 50 19.321 15.342 5.580 1.00 1.00 C ATOM 758 O ASN A 50 20.427 15.037 5.139 1.00 1.00 O ATOM 759 CB ASN A 50 19.368 14.007 7.684 1.00 1.00 C ATOM 760 CG ASN A 50 19.357 14.089 9.206 1.00 1.00 C ATOM 761 OD1 ASN A 50 19.879 15.044 9.780 1.00 1.00 O ATOM 762 ND2 ASN A 50 18.787 13.140 9.899 1.00 1.00 N ATOM 0 H ASN A 50 17.070 14.969 7.560 1.00 1.00 H new ATOM 0 HA ASN A 50 19.728 16.129 7.530 1.00 1.00 H new ATOM 0 HB2 ASN A 50 18.625 13.285 7.345 1.00 1.00 H new ATOM 0 HB3 ASN A 50 20.339 13.652 7.338 1.00 1.00 H new ATOM 0 HD21 ASN A 50 18.774 13.190 10.918 1.00 1.00 H new ATOM 0 HD22 ASN A 50 18.355 12.349 9.422 1.00 1.00 H new ATOM 769 N ASP A 51 18.273 15.632 4.806 1.00 1.00 N ATOM 770 CA ASP A 51 18.345 15.615 3.343 1.00 1.00 C ATOM 771 C ASP A 51 18.101 14.197 2.855 1.00 1.00 C ATOM 772 O ASP A 51 17.876 13.958 1.668 1.00 1.00 O ATOM 773 CB ASP A 51 19.709 16.120 2.838 1.00 1.00 C ATOM 774 CG ASP A 51 20.203 17.285 3.692 1.00 1.00 C ATOM 775 OD1 ASP A 51 19.371 18.024 4.196 1.00 1.00 O ATOM 776 OD2 ASP A 51 21.407 17.422 3.829 1.00 1.00 O ATOM 0 H ASP A 51 17.355 15.884 5.173 1.00 1.00 H new ATOM 0 HA ASP A 51 17.582 16.285 2.948 1.00 1.00 H new ATOM 0 HB2 ASP A 51 20.436 15.308 2.866 1.00 1.00 H new ATOM 0 HB3 ASP A 51 19.623 16.436 1.798 1.00 1.00 H new ATOM 781 N ALA A 52 18.143 13.261 3.796 1.00 1.00 N ATOM 782 CA ALA A 52 17.924 11.858 3.490 1.00 1.00 C ATOM 783 C ALA A 52 16.455 11.594 3.178 1.00 1.00 C ATOM 784 O ALA A 52 15.566 12.298 3.656 1.00 1.00 O ATOM 785 CB ALA A 52 18.363 10.998 4.677 1.00 1.00 C ATOM 0 H ALA A 52 18.328 13.453 4.781 1.00 1.00 H new ATOM 0 HA ALA A 52 18.515 11.599 2.611 1.00 1.00 H new ATOM 0 HB1 ALA A 52 18.198 9.946 4.445 1.00 1.00 H new ATOM 0 HB2 ALA A 52 19.422 11.164 4.875 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.782 11.271 5.558 1.00 1.00 H new ATOM 791 N GLN A 53 16.212 10.572 2.364 1.00 1.00 N ATOM 792 CA GLN A 53 14.853 10.192 1.968 1.00 1.00 C ATOM 793 C GLN A 53 14.548 8.757 2.393 1.00 1.00 C ATOM 794 O GLN A 53 15.451 7.925 2.498 1.00 1.00 O ATOM 795 CB GLN A 53 14.712 10.306 0.447 1.00 1.00 C ATOM 796 CG GLN A 53 14.682 11.781 0.042 1.00 1.00 C ATOM 797 CD GLN A 53 13.371 12.415 0.495 1.00 1.00 C ATOM 798 OE1 GLN A 53 13.371 13.634 0.953 1.00 1.00 O flip ATOM 799 NE2 GLN A 53 12.319 11.781 0.422 1.00 1.00 N flip ATOM 0 H GLN A 53 16.943 9.985 1.961 1.00 1.00 H new ATOM 0 HA GLN A 53 14.149 10.863 2.460 1.00 1.00 H new ATOM 0 HB2 GLN A 53 15.544 9.801 -0.044 1.00 1.00 H new ATOM 0 HB3 GLN A 53 13.799 9.810 0.118 1.00 1.00 H new ATOM 0 HG2 GLN A 53 15.525 12.308 0.490 1.00 1.00 H new ATOM 0 HG3 GLN A 53 14.786 11.873 -1.039 1.00 1.00 H new ATOM 0 HE21 GLN A 53 12.323 10.826 0.063 1.00 1.00 H new ATOM 0 HE22 GLN A 53 11.443 12.210 0.721 1.00 1.00 H new ATOM 808 N GLU A 54 13.266 8.469 2.621 1.00 1.00 N ATOM 809 CA GLU A 54 12.847 7.126 3.015 1.00 1.00 C ATOM 810 C GLU A 54 11.387 6.904 2.618 1.00 1.00 C ATOM 811 O GLU A 54 10.635 7.859 2.421 1.00 1.00 O ATOM 812 CB GLU A 54 13.033 6.910 4.537 1.00 1.00 C ATOM 813 CG GLU A 54 12.988 8.248 5.286 1.00 1.00 C ATOM 814 CD GLU A 54 11.594 8.862 5.198 1.00 1.00 C ATOM 815 OE1 GLU A 54 10.679 8.160 4.800 1.00 1.00 O ATOM 816 OE2 GLU A 54 11.465 10.026 5.530 1.00 1.00 O ATOM 0 H GLU A 54 12.505 9.144 2.540 1.00 1.00 H new ATOM 0 HA GLU A 54 13.473 6.400 2.496 1.00 1.00 H new ATOM 0 HB2 GLU A 54 12.251 6.251 4.914 1.00 1.00 H new ATOM 0 HB3 GLU A 54 13.986 6.415 4.725 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.260 8.096 6.331 1.00 1.00 H new ATOM 0 HG3 GLU A 54 13.722 8.934 4.862 1.00 1.00 H new ATOM 823 N HIS A 55 10.997 5.635 2.495 1.00 1.00 N ATOM 824 CA HIS A 55 9.627 5.283 2.109 1.00 1.00 C ATOM 825 C HIS A 55 9.086 4.163 2.988 1.00 1.00 C ATOM 826 O HIS A 55 9.849 3.398 3.577 1.00 1.00 O ATOM 827 CB HIS A 55 9.604 4.809 0.658 1.00 1.00 C ATOM 828 CG HIS A 55 9.885 5.961 -0.266 1.00 1.00 C ATOM 829 ND1 HIS A 55 11.168 6.425 -0.502 1.00 1.00 N ATOM 830 CD2 HIS A 55 9.058 6.735 -1.039 1.00 1.00 C ATOM 831 CE1 HIS A 55 11.077 7.436 -1.385 1.00 1.00 C ATOM 832 NE2 HIS A 55 9.811 7.667 -1.744 1.00 1.00 N ATOM 0 H HIS A 55 11.608 4.834 2.656 1.00 1.00 H new ATOM 0 HA HIS A 55 9.006 6.170 2.230 1.00 1.00 H new ATOM 0 HB2 HIS A 55 10.347 4.025 0.511 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.632 4.374 0.425 1.00 1.00 H new ATOM 0 HD2 HIS A 55 7.984 6.636 -1.092 1.00 1.00 H new ATOM 0 HE1 HIS A 55 11.924 7.993 -1.758 1.00 1.00 H new ATOM 0 HE2 HIS A 55 9.470 8.375 -2.395 1.00 1.00 H new ATOM 840 N ALA A 56 7.762 4.067 3.062 1.00 1.00 N ATOM 841 CA ALA A 56 7.107 3.034 3.857 1.00 1.00 C ATOM 842 C ALA A 56 5.757 2.690 3.226 1.00 1.00 C ATOM 843 O ALA A 56 5.064 3.569 2.713 1.00 1.00 O ATOM 844 CB ALA A 56 6.906 3.536 5.289 1.00 1.00 C ATOM 0 H ALA A 56 7.120 4.695 2.579 1.00 1.00 H new ATOM 0 HA ALA A 56 7.730 2.140 3.881 1.00 1.00 H new ATOM 0 HB1 ALA A 56 6.417 2.762 5.880 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.874 3.773 5.731 1.00 1.00 H new ATOM 0 HB3 ALA A 56 6.284 4.431 5.277 1.00 1.00 H new ATOM 850 N LEU A 57 5.385 1.411 3.254 1.00 1.00 N ATOM 851 CA LEU A 57 4.115 0.986 2.667 1.00 1.00 C ATOM 852 C LEU A 57 3.007 1.075 3.704 1.00 1.00 C ATOM 853 O LEU A 57 2.821 0.165 4.511 1.00 1.00 O ATOM 854 CB LEU A 57 4.243 -0.455 2.156 1.00 1.00 C ATOM 855 CG LEU A 57 2.896 -0.968 1.620 1.00 1.00 C ATOM 856 CD1 LEU A 57 2.375 -0.036 0.515 1.00 1.00 C ATOM 857 CD2 LEU A 57 3.091 -2.379 1.050 1.00 1.00 C ATOM 0 H LEU A 57 5.936 0.660 3.671 1.00 1.00 H new ATOM 0 HA LEU A 57 3.867 1.642 1.833 1.00 1.00 H new ATOM 0 HB2 LEU A 57 4.994 -0.500 1.367 1.00 1.00 H new ATOM 0 HB3 LEU A 57 4.588 -1.102 2.962 1.00 1.00 H new ATOM 0 HG LEU A 57 2.169 -0.990 2.432 1.00 1.00 H new ATOM 0 HD11 LEU A 57 1.421 -0.410 0.144 1.00 1.00 H new ATOM 0 HD12 LEU A 57 2.239 0.967 0.919 1.00 1.00 H new ATOM 0 HD13 LEU A 57 3.095 -0.003 -0.303 1.00 1.00 H new ATOM 0 HD21 LEU A 57 2.141 -2.751 0.667 1.00 1.00 H new ATOM 0 HD22 LEU A 57 3.821 -2.347 0.241 1.00 1.00 H new ATOM 0 HD23 LEU A 57 3.450 -3.043 1.836 1.00 1.00 H new ATOM 869 N PHE A 58 2.286 2.190 3.687 1.00 1.00 N ATOM 870 CA PHE A 58 1.210 2.408 4.639 1.00 1.00 C ATOM 871 C PHE A 58 -0.022 1.603 4.254 1.00 1.00 C ATOM 872 O PHE A 58 -0.373 1.505 3.077 1.00 1.00 O ATOM 873 CB PHE A 58 0.879 3.913 4.695 1.00 1.00 C ATOM 874 CG PHE A 58 1.791 4.631 5.673 1.00 1.00 C ATOM 875 CD1 PHE A 58 3.108 4.188 5.890 1.00 1.00 C ATOM 876 CD2 PHE A 58 1.312 5.749 6.368 1.00 1.00 C ATOM 877 CE1 PHE A 58 3.929 4.862 6.796 1.00 1.00 C ATOM 878 CE2 PHE A 58 2.139 6.418 7.275 1.00 1.00 C ATOM 879 CZ PHE A 58 3.445 5.973 7.490 1.00 1.00 C ATOM 0 H PHE A 58 2.428 2.953 3.026 1.00 1.00 H new ATOM 0 HA PHE A 58 1.531 2.072 5.625 1.00 1.00 H new ATOM 0 HB2 PHE A 58 0.987 4.351 3.702 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -0.161 4.050 4.993 1.00 1.00 H new ATOM 0 HD1 PHE A 58 3.484 3.327 5.356 1.00 1.00 H new ATOM 0 HD2 PHE A 58 0.302 6.095 6.203 1.00 1.00 H new ATOM 0 HE1 PHE A 58 4.941 4.523 6.961 1.00 1.00 H new ATOM 0 HE2 PHE A 58 1.768 7.280 7.810 1.00 1.00 H new ATOM 0 HZ PHE A 58 4.082 6.489 8.194 1.00 1.00 H new ATOM 889 N LEU A 59 -0.685 1.043 5.264 1.00 1.00 N ATOM 890 CA LEU A 59 -1.898 0.260 5.046 1.00 1.00 C ATOM 891 C LEU A 59 -3.067 0.995 5.682 1.00 1.00 C ATOM 892 O LEU A 59 -3.050 1.311 6.873 1.00 1.00 O ATOM 893 CB LEU A 59 -1.744 -1.142 5.666 1.00 1.00 C ATOM 894 CG LEU A 59 -2.645 -2.173 4.943 1.00 1.00 C ATOM 895 CD1 LEU A 59 -4.092 -1.666 4.862 1.00 1.00 C ATOM 896 CD2 LEU A 59 -2.112 -2.437 3.514 1.00 1.00 C ATOM 0 H LEU A 59 -0.402 1.117 6.241 1.00 1.00 H new ATOM 0 HA LEU A 59 -2.076 0.139 3.977 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -0.703 -1.458 5.604 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -2.004 -1.106 6.724 1.00 1.00 H new ATOM 0 HG LEU A 59 -2.627 -3.101 5.515 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -4.708 -2.405 4.350 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -4.478 -1.505 5.869 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -4.118 -0.727 4.309 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -2.753 -3.164 3.015 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -2.111 -1.505 2.948 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -1.096 -2.828 3.571 1.00 1.00 H new ATOM 908 N TYR A 60 -4.072 1.268 4.872 1.00 1.00 N ATOM 909 CA TYR A 60 -5.262 1.970 5.320 1.00 1.00 C ATOM 910 C TYR A 60 -6.464 1.036 5.258 1.00 1.00 C ATOM 911 O TYR A 60 -6.759 0.481 4.201 1.00 1.00 O ATOM 912 CB TYR A 60 -5.514 3.140 4.376 1.00 1.00 C ATOM 913 CG TYR A 60 -4.421 4.176 4.489 1.00 1.00 C ATOM 914 CD1 TYR A 60 -3.261 4.063 3.712 1.00 1.00 C ATOM 915 CD2 TYR A 60 -4.583 5.264 5.354 1.00 1.00 C ATOM 916 CE1 TYR A 60 -2.261 5.037 3.804 1.00 1.00 C ATOM 917 CE2 TYR A 60 -3.581 6.237 5.446 1.00 1.00 C ATOM 918 CZ TYR A 60 -2.421 6.124 4.670 1.00 1.00 C ATOM 919 OH TYR A 60 -1.433 7.082 4.757 1.00 1.00 O ATOM 0 H TYR A 60 -4.088 1.010 3.885 1.00 1.00 H new ATOM 0 HA TYR A 60 -5.119 2.317 6.343 1.00 1.00 H new ATOM 0 HB2 TYR A 60 -5.571 2.777 3.350 1.00 1.00 H new ATOM 0 HB3 TYR A 60 -6.477 3.596 4.606 1.00 1.00 H new ATOM 0 HD1 TYR A 60 -3.139 3.225 3.042 1.00 1.00 H new ATOM 0 HD2 TYR A 60 -5.480 5.353 5.950 1.00 1.00 H new ATOM 0 HE1 TYR A 60 -1.366 4.950 3.207 1.00 1.00 H new ATOM 0 HE2 TYR A 60 -3.703 7.075 6.116 1.00 1.00 H new ATOM 0 HH TYR A 60 -1.299 7.494 3.878 1.00 1.00 H new ATOM 929 N THR A 61 -7.183 0.879 6.364 1.00 1.00 N ATOM 930 CA THR A 61 -8.365 0.023 6.342 1.00 1.00 C ATOM 931 C THR A 61 -9.537 0.843 5.848 1.00 1.00 C ATOM 932 O THR A 61 -9.482 2.066 5.841 1.00 1.00 O ATOM 933 CB THR A 61 -8.678 -0.547 7.729 1.00 1.00 C ATOM 934 OG1 THR A 61 -9.871 -1.318 7.656 1.00 1.00 O ATOM 935 CG2 THR A 61 -8.869 0.588 8.733 1.00 1.00 C ATOM 0 H THR A 61 -6.978 1.318 7.262 1.00 1.00 H new ATOM 0 HA THR A 61 -8.176 -0.821 5.679 1.00 1.00 H new ATOM 0 HB THR A 61 -7.848 -1.173 8.056 1.00 1.00 H new ATOM 0 HG1 THR A 61 -10.076 -1.687 8.540 1.00 1.00 H new ATOM 0 HG21 THR A 61 -9.091 0.171 9.715 1.00 1.00 H new ATOM 0 HG22 THR A 61 -7.957 1.182 8.789 1.00 1.00 H new ATOM 0 HG23 THR A 61 -9.696 1.222 8.413 1.00 1.00 H new ATOM 943 N HIS A 62 -10.601 0.182 5.451 1.00 1.00 N ATOM 944 CA HIS A 62 -11.769 0.900 4.975 1.00 1.00 C ATOM 945 C HIS A 62 -12.990 -0.005 5.017 1.00 1.00 C ATOM 946 O HIS A 62 -12.866 -1.231 4.989 1.00 1.00 O ATOM 947 CB HIS A 62 -11.506 1.434 3.557 1.00 1.00 C ATOM 948 CG HIS A 62 -11.716 0.351 2.535 1.00 1.00 C ATOM 949 ND1 HIS A 62 -12.921 0.180 1.875 1.00 1.00 N ATOM 950 CD2 HIS A 62 -10.884 -0.623 2.056 1.00 1.00 C ATOM 951 CE1 HIS A 62 -12.780 -0.868 1.043 1.00 1.00 C ATOM 952 NE2 HIS A 62 -11.556 -1.394 1.114 1.00 1.00 N ATOM 0 H HIS A 62 -10.686 -0.834 5.446 1.00 1.00 H new ATOM 0 HA HIS A 62 -11.967 1.752 5.625 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -12.172 2.272 3.349 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -10.486 1.813 3.489 1.00 1.00 H new ATOM 0 HD1 HIS A 62 -13.761 0.745 1.997 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -9.859 -0.771 2.363 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -13.562 -1.238 0.397 1.00 1.00 H new ATOM 960 N ARG A 63 -14.162 0.605 5.095 1.00 1.00 N ATOM 961 CA ARG A 63 -15.399 -0.160 5.156 1.00 1.00 C ATOM 962 C ARG A 63 -15.711 -0.773 3.806 1.00 1.00 C ATOM 963 O ARG A 63 -15.014 -0.531 2.823 1.00 1.00 O ATOM 964 CB ARG A 63 -16.568 0.727 5.594 1.00 1.00 C ATOM 965 CG ARG A 63 -16.371 1.132 7.052 1.00 1.00 C ATOM 966 CD ARG A 63 -17.524 2.030 7.502 1.00 1.00 C ATOM 967 NE ARG A 63 -17.329 2.438 8.890 1.00 1.00 N ATOM 968 CZ ARG A 63 -17.726 1.668 9.899 1.00 1.00 C ATOM 969 NH1 ARG A 63 -18.303 0.523 9.657 1.00 1.00 N ATOM 970 NH2 ARG A 63 -17.538 2.055 11.132 1.00 1.00 N ATOM 0 H ARG A 63 -14.284 1.617 5.117 1.00 1.00 H new ATOM 0 HA ARG A 63 -15.263 -0.954 5.890 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.624 1.613 4.962 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -17.510 0.192 5.477 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -16.323 0.244 7.682 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -15.423 1.657 7.168 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -17.582 2.910 6.861 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -18.470 1.499 7.400 1.00 1.00 H new ATOM 0 HE ARG A 63 -16.879 3.331 9.090 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -18.449 0.219 8.694 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -18.608 -0.068 10.430 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -17.086 2.949 11.323 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -17.843 1.463 11.905 1.00 1.00 H new ATOM 984 N ARG A 64 -16.760 -1.573 3.769 1.00 1.00 N ATOM 985 CA ARG A 64 -17.161 -2.224 2.536 1.00 1.00 C ATOM 986 C ARG A 64 -17.478 -1.189 1.466 1.00 1.00 C ATOM 987 O ARG A 64 -17.370 -1.471 0.272 1.00 1.00 O ATOM 988 CB ARG A 64 -18.393 -3.086 2.787 1.00 1.00 C ATOM 989 CG ARG A 64 -18.041 -4.181 3.792 1.00 1.00 C ATOM 990 CD ARG A 64 -19.300 -4.980 4.136 1.00 1.00 C ATOM 991 NE ARG A 64 -19.776 -5.699 2.961 1.00 1.00 N ATOM 992 CZ ARG A 64 -20.913 -6.385 2.989 1.00 1.00 C ATOM 993 NH1 ARG A 64 -21.627 -6.423 4.080 1.00 1.00 N ATOM 994 NH2 ARG A 64 -21.319 -7.019 1.923 1.00 1.00 N ATOM 0 H ARG A 64 -17.348 -1.787 4.575 1.00 1.00 H new ATOM 0 HA ARG A 64 -16.339 -2.850 2.190 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -19.209 -2.473 3.169 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -18.738 -3.530 1.853 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -17.281 -4.841 3.375 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -17.619 -3.739 4.695 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -19.085 -5.684 4.940 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -20.078 -4.309 4.500 1.00 1.00 H new ATOM 0 HE ARG A 64 -19.226 -5.675 2.102 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -21.312 -5.925 4.913 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -22.500 -6.950 4.100 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -20.763 -6.988 1.068 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -22.192 -7.546 1.945 1.00 1.00 H new ATOM 1008 N MET A 65 -17.878 0.013 1.889 1.00 1.00 N ATOM 1009 CA MET A 65 -18.218 1.078 0.942 1.00 1.00 C ATOM 1010 C MET A 65 -17.680 2.418 1.444 1.00 1.00 C ATOM 1011 O MET A 65 -18.259 3.470 1.176 1.00 1.00 O ATOM 1012 CB MET A 65 -19.743 1.162 0.801 1.00 1.00 C ATOM 1013 CG MET A 65 -20.395 0.966 2.176 1.00 1.00 C ATOM 1014 SD MET A 65 -22.187 1.187 2.033 1.00 1.00 S ATOM 1015 CE MET A 65 -22.584 1.004 3.791 1.00 1.00 C ATOM 0 H MET A 65 -17.974 0.272 2.871 1.00 1.00 H new ATOM 0 HA MET A 65 -17.768 0.854 -0.025 1.00 1.00 H new ATOM 0 HB2 MET A 65 -20.028 2.129 0.386 1.00 1.00 H new ATOM 0 HB3 MET A 65 -20.097 0.400 0.107 1.00 1.00 H new ATOM 0 HG2 MET A 65 -20.170 -0.030 2.558 1.00 1.00 H new ATOM 0 HG3 MET A 65 -19.986 1.681 2.890 1.00 1.00 H new ATOM 0 HE1 MET A 65 -23.660 1.107 3.934 1.00 1.00 H new ATOM 0 HE2 MET A 65 -22.265 0.020 4.136 1.00 1.00 H new ATOM 0 HE3 MET A 65 -22.067 1.774 4.363 1.00 1.00 H new ATOM 1025 N ALA A 66 -16.571 2.373 2.172 1.00 1.00 N ATOM 1026 CA ALA A 66 -15.973 3.598 2.700 1.00 1.00 C ATOM 1027 C ALA A 66 -15.520 4.508 1.559 1.00 1.00 C ATOM 1028 O ALA A 66 -15.902 5.665 1.523 1.00 1.00 O ATOM 1029 CB ALA A 66 -14.773 3.233 3.594 1.00 1.00 C ATOM 0 H ALA A 66 -16.072 1.516 2.409 1.00 1.00 H new ATOM 0 HA ALA A 66 -16.717 4.134 3.289 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -14.324 4.144 3.990 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -15.111 2.607 4.419 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -14.033 2.690 3.006 1.00 1.00 H new ATOM 1035 N ILE A 67 -14.713 3.946 0.650 1.00 1.00 N ATOM 1036 CA ILE A 67 -14.163 4.651 -0.518 1.00 1.00 C ATOM 1037 C ILE A 67 -14.000 6.148 -0.274 1.00 1.00 C ATOM 1038 O ILE A 67 -12.894 6.687 -0.293 1.00 1.00 O ATOM 1039 CB ILE A 67 -15.098 4.436 -1.724 1.00 1.00 C ATOM 1040 CG1 ILE A 67 -15.134 2.951 -2.098 1.00 1.00 C ATOM 1041 CG2 ILE A 67 -14.597 5.243 -2.930 1.00 1.00 C ATOM 1042 CD1 ILE A 67 -16.245 2.702 -3.126 1.00 1.00 C ATOM 0 H ILE A 67 -14.418 2.971 0.705 1.00 1.00 H new ATOM 0 HA ILE A 67 -13.172 4.240 -0.712 1.00 1.00 H new ATOM 0 HB ILE A 67 -16.099 4.771 -1.452 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -14.171 2.646 -2.508 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -15.307 2.346 -1.208 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -15.265 5.084 -3.777 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -14.579 6.303 -2.676 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -13.591 4.916 -3.194 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -16.267 1.644 -3.389 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -17.206 2.990 -2.700 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -16.053 3.294 -4.020 1.00 1.00 H new ATOM 1054 N THR A 68 -15.127 6.796 -0.096 1.00 1.00 N ATOM 1055 CA THR A 68 -15.193 8.224 0.102 1.00 1.00 C ATOM 1056 C THR A 68 -13.952 8.815 0.782 1.00 1.00 C ATOM 1057 O THR A 68 -13.572 9.948 0.487 1.00 1.00 O ATOM 1058 CB THR A 68 -16.440 8.562 0.919 1.00 1.00 C ATOM 1059 OG1 THR A 68 -17.596 8.146 0.206 1.00 1.00 O ATOM 1060 CG2 THR A 68 -16.505 10.069 1.164 1.00 1.00 C ATOM 0 H THR A 68 -16.038 6.338 -0.085 1.00 1.00 H new ATOM 0 HA THR A 68 -15.239 8.675 -0.889 1.00 1.00 H new ATOM 0 HB THR A 68 -16.396 8.045 1.878 1.00 1.00 H new ATOM 0 HG1 THR A 68 -18.397 8.360 0.728 1.00 1.00 H new ATOM 0 HG21 THR A 68 -17.396 10.305 1.747 1.00 1.00 H new ATOM 0 HG22 THR A 68 -15.618 10.387 1.712 1.00 1.00 H new ATOM 0 HG23 THR A 68 -16.548 10.591 0.208 1.00 1.00 H new ATOM 1068 N GLY A 69 -13.350 8.087 1.719 1.00 1.00 N ATOM 1069 CA GLY A 69 -12.187 8.608 2.450 1.00 1.00 C ATOM 1070 C GLY A 69 -12.635 9.016 3.842 1.00 1.00 C ATOM 1071 O GLY A 69 -11.831 9.282 4.734 1.00 1.00 O ATOM 0 H GLY A 69 -13.639 7.147 1.991 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -11.407 7.849 2.511 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -11.761 9.462 1.924 1.00 1.00 H new ATOM 1075 N ASP A 70 -13.955 9.074 4.001 1.00 1.00 N ATOM 1076 CA ASP A 70 -14.563 9.468 5.264 1.00 1.00 C ATOM 1077 C ASP A 70 -14.294 8.459 6.387 1.00 1.00 C ATOM 1078 O ASP A 70 -13.979 8.871 7.499 1.00 1.00 O ATOM 1079 CB ASP A 70 -16.069 9.625 5.080 1.00 1.00 C ATOM 1080 CG ASP A 70 -16.709 10.090 6.384 1.00 1.00 C ATOM 1081 OD1 ASP A 70 -16.007 10.193 7.374 1.00 1.00 O ATOM 1082 OD2 ASP A 70 -17.913 10.333 6.377 1.00 1.00 O ATOM 0 H ASP A 70 -14.625 8.851 3.265 1.00 1.00 H new ATOM 0 HA ASP A 70 -14.111 10.415 5.557 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -16.274 10.345 4.288 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -16.506 8.676 4.769 1.00 1.00 H new ATOM 1087 N ASP A 71 -14.457 7.138 6.120 1.00 1.00 N ATOM 1088 CA ASP A 71 -14.245 6.125 7.191 1.00 1.00 C ATOM 1089 C ASP A 71 -13.022 5.252 6.935 1.00 1.00 C ATOM 1090 O ASP A 71 -13.131 4.023 6.970 1.00 1.00 O ATOM 1091 CB ASP A 71 -15.484 5.210 7.305 1.00 1.00 C ATOM 1092 CG ASP A 71 -16.741 6.031 7.550 1.00 1.00 C ATOM 1093 OD1 ASP A 71 -16.961 6.388 8.687 1.00 1.00 O ATOM 1094 OD2 ASP A 71 -17.438 6.287 6.583 1.00 1.00 O ATOM 0 H ASP A 71 -14.724 6.758 5.212 1.00 1.00 H new ATOM 0 HA ASP A 71 -14.083 6.677 8.117 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -15.597 4.628 6.391 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -15.343 4.500 8.120 1.00 1.00 H new ATOM 1099 N VAL A 72 -11.857 5.849 6.699 1.00 1.00 N ATOM 1100 CA VAL A 72 -10.660 5.044 6.475 1.00 1.00 C ATOM 1101 C VAL A 72 -9.440 5.779 6.994 1.00 1.00 C ATOM 1102 O VAL A 72 -9.205 6.929 6.655 1.00 1.00 O ATOM 1103 CB VAL A 72 -10.515 4.714 4.971 1.00 1.00 C ATOM 1104 CG1 VAL A 72 -11.137 5.842 4.151 1.00 1.00 C ATOM 1105 CG2 VAL A 72 -9.035 4.554 4.574 1.00 1.00 C ATOM 0 H VAL A 72 -11.717 6.858 6.658 1.00 1.00 H new ATOM 0 HA VAL A 72 -10.750 4.104 7.019 1.00 1.00 H new ATOM 0 HB VAL A 72 -11.026 3.771 4.773 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -11.039 5.617 3.089 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -12.193 5.938 4.406 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -10.624 6.778 4.372 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -8.966 4.322 3.511 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -8.501 5.482 4.778 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -8.589 3.744 5.151 1.00 1.00 H new ATOM 1115 N SER A 73 -8.665 5.111 7.839 1.00 1.00 N ATOM 1116 CA SER A 73 -7.481 5.706 8.415 1.00 1.00 C ATOM 1117 C SER A 73 -6.451 4.606 8.609 1.00 1.00 C ATOM 1118 O SER A 73 -6.765 3.425 8.469 1.00 1.00 O ATOM 1119 CB SER A 73 -7.829 6.371 9.752 1.00 1.00 C ATOM 1120 OG SER A 73 -8.851 7.345 9.546 1.00 1.00 O ATOM 0 H SER A 73 -8.842 4.152 8.138 1.00 1.00 H new ATOM 0 HA SER A 73 -7.077 6.475 7.757 1.00 1.00 H new ATOM 0 HB2 SER A 73 -8.166 5.620 10.467 1.00 1.00 H new ATOM 0 HB3 SER A 73 -6.943 6.842 10.178 1.00 1.00 H new ATOM 0 HG SER A 73 -9.075 7.770 10.400 1.00 1.00 H new ATOM 1126 N LEU A 74 -5.215 4.991 8.850 1.00 1.00 N ATOM 1127 CA LEU A 74 -4.133 4.019 8.975 1.00 1.00 C ATOM 1128 C LEU A 74 -4.510 2.792 9.809 1.00 1.00 C ATOM 1129 O LEU A 74 -5.125 2.887 10.871 1.00 1.00 O ATOM 1130 CB LEU A 74 -2.903 4.702 9.595 1.00 1.00 C ATOM 1131 CG LEU A 74 -2.002 5.289 8.497 1.00 1.00 C ATOM 1132 CD1 LEU A 74 -0.916 6.168 9.135 1.00 1.00 C ATOM 1133 CD2 LEU A 74 -1.357 4.134 7.679 1.00 1.00 C ATOM 0 H LEU A 74 -4.929 5.963 8.964 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.914 3.659 7.970 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -3.222 5.493 10.273 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -2.340 3.981 10.189 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.599 5.905 7.824 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -0.279 6.583 8.354 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -1.385 6.980 9.690 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -0.313 5.565 9.814 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -0.718 4.552 6.901 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -0.759 3.508 8.342 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.141 3.531 7.220 1.00 1.00 H new ATOM 1145 N ASP A 75 -4.086 1.633 9.290 1.00 1.00 N ATOM 1146 CA ASP A 75 -4.309 0.339 9.933 1.00 1.00 C ATOM 1147 C ASP A 75 -2.991 -0.205 10.487 1.00 1.00 C ATOM 1148 O ASP A 75 -2.862 -0.419 11.691 1.00 1.00 O ATOM 1149 CB ASP A 75 -4.882 -0.653 8.920 1.00 1.00 C ATOM 1150 CG ASP A 75 -5.199 -1.978 9.605 1.00 1.00 C ATOM 1151 OD1 ASP A 75 -4.851 -2.122 10.766 1.00 1.00 O ATOM 1152 OD2 ASP A 75 -5.785 -2.832 8.958 1.00 1.00 O ATOM 0 H ASP A 75 -3.577 1.570 8.408 1.00 1.00 H new ATOM 0 HA ASP A 75 -5.016 0.471 10.752 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -5.785 -0.243 8.469 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -4.167 -0.814 8.113 1.00 1.00 H new ATOM 1157 N GLN A 76 -2.006 -0.414 9.608 1.00 1.00 N ATOM 1158 CA GLN A 76 -0.697 -0.921 10.043 1.00 1.00 C ATOM 1159 C GLN A 76 0.395 -0.508 9.054 1.00 1.00 C ATOM 1160 O GLN A 76 0.342 -0.849 7.872 1.00 1.00 O ATOM 1161 CB GLN A 76 -0.708 -2.448 10.156 1.00 1.00 C ATOM 1162 CG GLN A 76 0.551 -2.909 10.908 1.00 1.00 C ATOM 1163 CD GLN A 76 0.827 -4.381 10.627 1.00 1.00 C ATOM 1164 OE1 GLN A 76 0.501 -5.245 11.442 1.00 1.00 O ATOM 1165 NE2 GLN A 76 1.407 -4.721 9.509 1.00 1.00 N ATOM 0 H GLN A 76 -2.085 -0.244 8.605 1.00 1.00 H new ATOM 0 HA GLN A 76 -0.489 -0.490 11.022 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -1.603 -2.779 10.683 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -0.738 -2.898 9.164 1.00 1.00 H new ATOM 0 HG2 GLN A 76 1.406 -2.307 10.602 1.00 1.00 H new ATOM 0 HG3 GLN A 76 0.420 -2.755 11.979 1.00 1.00 H new ATOM 0 HE21 GLN A 76 1.676 -4.004 8.835 1.00 1.00 H new ATOM 0 HE22 GLN A 76 1.591 -5.704 9.308 1.00 1.00 H new ATOM 1174 N ILE A 77 1.381 0.220 9.559 1.00 1.00 N ATOM 1175 CA ILE A 77 2.500 0.689 8.740 1.00 1.00 C ATOM 1176 C ILE A 77 3.556 -0.403 8.595 1.00 1.00 C ATOM 1177 O ILE A 77 3.992 -0.994 9.584 1.00 1.00 O ATOM 1178 CB ILE A 77 3.133 1.929 9.390 1.00 1.00 C ATOM 1179 CG1 ILE A 77 2.137 3.099 9.349 1.00 1.00 C ATOM 1180 CG2 ILE A 77 4.415 2.319 8.646 1.00 1.00 C ATOM 1181 CD1 ILE A 77 2.655 4.254 10.216 1.00 1.00 C ATOM 0 H ILE A 77 1.432 0.502 10.538 1.00 1.00 H new ATOM 0 HA ILE A 77 2.121 0.944 7.750 1.00 1.00 H new ATOM 0 HB ILE A 77 3.381 1.698 10.426 1.00 1.00 H new ATOM 0 HG12 ILE A 77 2.001 3.436 8.322 1.00 1.00 H new ATOM 0 HG13 ILE A 77 1.162 2.771 9.709 1.00 1.00 H new ATOM 0 HG21 ILE A 77 4.855 3.199 9.115 1.00 1.00 H new ATOM 0 HG22 ILE A 77 5.125 1.493 8.687 1.00 1.00 H new ATOM 0 HG23 ILE A 77 4.178 2.543 7.606 1.00 1.00 H new ATOM 0 HD11 ILE A 77 1.945 5.080 10.183 1.00 1.00 H new ATOM 0 HD12 ILE A 77 2.768 3.914 11.245 1.00 1.00 H new ATOM 0 HD13 ILE A 77 3.620 4.589 9.836 1.00 1.00 H new ATOM 1193 N VAL A 78 3.973 -0.652 7.356 1.00 1.00 N ATOM 1194 CA VAL A 78 4.997 -1.660 7.072 1.00 1.00 C ATOM 1195 C VAL A 78 6.164 -0.997 6.325 1.00 1.00 C ATOM 1196 O VAL A 78 6.038 -0.692 5.138 1.00 1.00 O ATOM 1197 CB VAL A 78 4.404 -2.780 6.217 1.00 1.00 C ATOM 1198 CG1 VAL A 78 5.517 -3.739 5.786 1.00 1.00 C ATOM 1199 CG2 VAL A 78 3.369 -3.546 7.046 1.00 1.00 C ATOM 0 H VAL A 78 3.618 -0.170 6.530 1.00 1.00 H new ATOM 0 HA VAL A 78 5.357 -2.086 8.009 1.00 1.00 H new ATOM 0 HB VAL A 78 3.930 -2.355 5.332 1.00 1.00 H new ATOM 0 HG11 VAL A 78 5.094 -4.537 5.176 1.00 1.00 H new ATOM 0 HG12 VAL A 78 6.261 -3.195 5.205 1.00 1.00 H new ATOM 0 HG13 VAL A 78 5.989 -4.169 6.669 1.00 1.00 H new ATOM 0 HG21 VAL A 78 2.941 -4.347 6.443 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.851 -3.972 7.926 1.00 1.00 H new ATOM 0 HG23 VAL A 78 2.578 -2.865 7.359 1.00 1.00 H new ATOM 1209 N PRO A 79 7.277 -0.725 6.982 1.00 1.00 N ATOM 1210 CA PRO A 79 8.432 -0.043 6.327 1.00 1.00 C ATOM 1211 C PRO A 79 9.231 -0.965 5.422 1.00 1.00 C ATOM 1212 O PRO A 79 9.377 -2.156 5.698 1.00 1.00 O ATOM 1213 CB PRO A 79 9.268 0.452 7.512 1.00 1.00 C ATOM 1214 CG PRO A 79 9.024 -0.555 8.587 1.00 1.00 C ATOM 1215 CD PRO A 79 7.582 -1.042 8.397 1.00 1.00 C ATOM 0 HA PRO A 79 8.110 0.758 5.661 1.00 1.00 H new ATOM 0 HB2 PRO A 79 10.326 0.510 7.255 1.00 1.00 H new ATOM 0 HB3 PRO A 79 8.961 1.450 7.825 1.00 1.00 H new ATOM 0 HG2 PRO A 79 9.728 -1.384 8.511 1.00 1.00 H new ATOM 0 HG3 PRO A 79 9.158 -0.112 9.574 1.00 1.00 H new ATOM 0 HD2 PRO A 79 7.493 -2.110 8.594 1.00 1.00 H new ATOM 0 HD3 PRO A 79 6.897 -0.534 9.076 1.00 1.00 H new ATOM 1223 N LEU A 80 9.734 -0.401 4.333 1.00 1.00 N ATOM 1224 CA LEU A 80 10.504 -1.171 3.378 1.00 1.00 C ATOM 1225 C LEU A 80 11.830 -1.621 3.975 1.00 1.00 C ATOM 1226 O LEU A 80 12.586 -0.832 4.533 1.00 1.00 O ATOM 1227 CB LEU A 80 10.764 -0.325 2.131 1.00 1.00 C ATOM 1228 CG LEU A 80 9.431 0.079 1.481 1.00 1.00 C ATOM 1229 CD1 LEU A 80 9.713 0.987 0.278 1.00 1.00 C ATOM 1230 CD2 LEU A 80 8.663 -1.174 1.020 1.00 1.00 C ATOM 0 H LEU A 80 9.621 0.584 4.093 1.00 1.00 H new ATOM 0 HA LEU A 80 9.931 -2.059 3.112 1.00 1.00 H new ATOM 0 HB2 LEU A 80 11.332 0.566 2.398 1.00 1.00 H new ATOM 0 HB3 LEU A 80 11.369 -0.887 1.420 1.00 1.00 H new ATOM 0 HG LEU A 80 8.822 0.613 2.210 1.00 1.00 H new ATOM 0 HD11 LEU A 80 8.771 1.277 -0.188 1.00 1.00 H new ATOM 0 HD12 LEU A 80 10.243 1.879 0.612 1.00 1.00 H new ATOM 0 HD13 LEU A 80 10.326 0.451 -0.447 1.00 1.00 H new ATOM 0 HD21 LEU A 80 7.721 -0.875 0.561 1.00 1.00 H new ATOM 0 HD22 LEU A 80 9.263 -1.721 0.293 1.00 1.00 H new ATOM 0 HD23 LEU A 80 8.461 -1.814 1.879 1.00 1.00 H new ATOM 1242 N SER A 81 12.075 -2.916 3.838 1.00 1.00 N ATOM 1243 CA SER A 81 13.297 -3.544 4.348 1.00 1.00 C ATOM 1244 C SER A 81 13.885 -4.478 3.299 1.00 1.00 C ATOM 1245 O SER A 81 13.240 -4.791 2.305 1.00 1.00 O ATOM 1246 CB SER A 81 12.986 -4.334 5.619 1.00 1.00 C ATOM 1247 OG SER A 81 11.946 -5.265 5.350 1.00 1.00 O ATOM 0 H SER A 81 11.439 -3.563 3.373 1.00 1.00 H new ATOM 0 HA SER A 81 14.022 -2.763 4.577 1.00 1.00 H new ATOM 0 HB2 SER A 81 13.878 -4.857 5.963 1.00 1.00 H new ATOM 0 HB3 SER A 81 12.686 -3.656 6.418 1.00 1.00 H new ATOM 0 HG SER A 81 11.745 -5.775 6.163 1.00 1.00 H new ATOM 1253 N LYS A 82 15.121 -4.897 3.507 1.00 1.00 N ATOM 1254 CA LYS A 82 15.776 -5.767 2.541 1.00 1.00 C ATOM 1255 C LYS A 82 14.952 -7.025 2.306 1.00 1.00 C ATOM 1256 O LYS A 82 14.805 -7.472 1.166 1.00 1.00 O ATOM 1257 CB LYS A 82 17.163 -6.149 3.049 1.00 1.00 C ATOM 1258 CG LYS A 82 18.064 -4.914 3.027 1.00 1.00 C ATOM 1259 CD LYS A 82 19.443 -5.280 3.576 1.00 1.00 C ATOM 1260 CE LYS A 82 20.377 -4.075 3.452 1.00 1.00 C ATOM 1261 NZ LYS A 82 19.849 -2.951 4.275 1.00 1.00 N ATOM 0 H LYS A 82 15.685 -4.655 4.322 1.00 1.00 H new ATOM 0 HA LYS A 82 15.868 -5.230 1.597 1.00 1.00 H new ATOM 0 HB2 LYS A 82 17.096 -6.547 4.062 1.00 1.00 H new ATOM 0 HB3 LYS A 82 17.588 -6.935 2.425 1.00 1.00 H new ATOM 0 HG2 LYS A 82 18.155 -4.535 2.009 1.00 1.00 H new ATOM 0 HG3 LYS A 82 17.622 -4.117 3.626 1.00 1.00 H new ATOM 0 HD2 LYS A 82 19.362 -5.585 4.619 1.00 1.00 H new ATOM 0 HD3 LYS A 82 19.851 -6.128 3.027 1.00 1.00 H new ATOM 0 HE2 LYS A 82 21.380 -4.343 3.784 1.00 1.00 H new ATOM 0 HE3 LYS A 82 20.458 -3.770 2.409 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 20.606 -2.258 4.442 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 19.064 -2.491 3.772 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 19.508 -3.318 5.186 1.00 1.00 H new ATOM 1275 N ASP A 83 14.417 -7.604 3.375 1.00 1.00 N ATOM 1276 CA ASP A 83 13.616 -8.813 3.244 1.00 1.00 C ATOM 1277 C ASP A 83 12.387 -8.550 2.370 1.00 1.00 C ATOM 1278 O ASP A 83 11.653 -9.473 2.021 1.00 1.00 O ATOM 1279 CB ASP A 83 13.183 -9.293 4.635 1.00 1.00 C ATOM 1280 CG ASP A 83 12.759 -10.759 4.585 1.00 1.00 C ATOM 1281 OD1 ASP A 83 12.272 -11.183 3.548 1.00 1.00 O ATOM 1282 OD2 ASP A 83 12.937 -11.440 5.581 1.00 1.00 O ATOM 0 H ASP A 83 14.522 -7.261 4.330 1.00 1.00 H new ATOM 0 HA ASP A 83 14.217 -9.587 2.766 1.00 1.00 H new ATOM 0 HB2 ASP A 83 14.004 -9.169 5.341 1.00 1.00 H new ATOM 0 HB3 ASP A 83 12.357 -8.681 4.997 1.00 1.00 H new ATOM 1287 N PHE A 84 12.185 -7.285 2.004 1.00 1.00 N ATOM 1288 CA PHE A 84 11.059 -6.911 1.153 1.00 1.00 C ATOM 1289 C PHE A 84 11.269 -7.474 -0.245 1.00 1.00 C ATOM 1290 O PHE A 84 12.368 -7.408 -0.797 1.00 1.00 O ATOM 1291 CB PHE A 84 10.936 -5.385 1.085 1.00 1.00 C ATOM 1292 CG PHE A 84 9.643 -4.986 0.409 1.00 1.00 C ATOM 1293 CD1 PHE A 84 9.606 -4.799 -0.977 1.00 1.00 C ATOM 1294 CD2 PHE A 84 8.491 -4.776 1.175 1.00 1.00 C ATOM 1295 CE1 PHE A 84 8.414 -4.404 -1.598 1.00 1.00 C ATOM 1296 CE2 PHE A 84 7.299 -4.385 0.554 1.00 1.00 C ATOM 1297 CZ PHE A 84 7.260 -4.197 -0.831 1.00 1.00 C ATOM 0 H PHE A 84 12.783 -6.507 2.282 1.00 1.00 H new ATOM 0 HA PHE A 84 10.141 -7.320 1.574 1.00 1.00 H new ATOM 0 HB2 PHE A 84 10.971 -4.966 2.091 1.00 1.00 H new ATOM 0 HB3 PHE A 84 11.782 -4.970 0.537 1.00 1.00 H new ATOM 0 HD1 PHE A 84 10.496 -4.959 -1.568 1.00 1.00 H new ATOM 0 HD2 PHE A 84 8.522 -4.916 2.246 1.00 1.00 H new ATOM 0 HE1 PHE A 84 8.385 -4.259 -2.668 1.00 1.00 H new ATOM 0 HE2 PHE A 84 6.409 -4.228 1.145 1.00 1.00 H new ATOM 0 HZ PHE A 84 6.341 -3.892 -1.309 1.00 1.00 H new ATOM 1307 N MET A 85 10.204 -8.011 -0.820 1.00 1.00 N ATOM 1308 CA MET A 85 10.271 -8.565 -2.166 1.00 1.00 C ATOM 1309 C MET A 85 8.869 -8.819 -2.703 1.00 1.00 C ATOM 1310 O MET A 85 7.992 -9.287 -1.979 1.00 1.00 O ATOM 1311 CB MET A 85 11.076 -9.867 -2.176 1.00 1.00 C ATOM 1312 CG MET A 85 11.201 -10.373 -3.616 1.00 1.00 C ATOM 1313 SD MET A 85 12.268 -11.836 -3.658 1.00 1.00 S ATOM 1314 CE MET A 85 11.190 -12.954 -2.725 1.00 1.00 C ATOM 0 H MET A 85 9.286 -8.076 -0.379 1.00 1.00 H new ATOM 0 HA MET A 85 10.772 -7.841 -2.808 1.00 1.00 H new ATOM 0 HB2 MET A 85 12.065 -9.700 -1.750 1.00 1.00 H new ATOM 0 HB3 MET A 85 10.584 -10.617 -1.556 1.00 1.00 H new ATOM 0 HG2 MET A 85 10.216 -10.618 -4.012 1.00 1.00 H new ATOM 0 HG3 MET A 85 11.615 -9.591 -4.252 1.00 1.00 H new ATOM 0 HE1 MET A 85 11.246 -13.955 -3.153 1.00 1.00 H new ATOM 0 HE2 MET A 85 11.512 -12.986 -1.684 1.00 1.00 H new ATOM 0 HE3 MET A 85 10.162 -12.595 -2.776 1.00 1.00 H new ATOM 1324 N LEU A 86 8.666 -8.514 -3.977 1.00 1.00 N ATOM 1325 CA LEU A 86 7.370 -8.717 -4.624 1.00 1.00 C ATOM 1326 C LEU A 86 7.428 -9.983 -5.478 1.00 1.00 C ATOM 1327 O LEU A 86 8.326 -10.138 -6.303 1.00 1.00 O ATOM 1328 CB LEU A 86 7.011 -7.489 -5.502 1.00 1.00 C ATOM 1329 CG LEU A 86 8.283 -6.724 -5.920 1.00 1.00 C ATOM 1330 CD1 LEU A 86 9.153 -7.592 -6.845 1.00 1.00 C ATOM 1331 CD2 LEU A 86 7.875 -5.445 -6.656 1.00 1.00 C ATOM 0 H LEU A 86 9.383 -8.123 -4.588 1.00 1.00 H new ATOM 0 HA LEU A 86 6.598 -8.830 -3.863 1.00 1.00 H new ATOM 0 HB2 LEU A 86 6.470 -7.817 -6.390 1.00 1.00 H new ATOM 0 HB3 LEU A 86 6.346 -6.824 -4.951 1.00 1.00 H new ATOM 0 HG LEU A 86 8.860 -6.477 -5.029 1.00 1.00 H new ATOM 0 HD11 LEU A 86 10.047 -7.037 -7.131 1.00 1.00 H new ATOM 0 HD12 LEU A 86 9.444 -8.503 -6.322 1.00 1.00 H new ATOM 0 HD13 LEU A 86 8.586 -7.852 -7.739 1.00 1.00 H new ATOM 0 HD21 LEU A 86 8.768 -4.897 -6.956 1.00 1.00 H new ATOM 0 HD22 LEU A 86 7.294 -5.704 -7.541 1.00 1.00 H new ATOM 0 HD23 LEU A 86 7.272 -4.822 -5.996 1.00 1.00 H new ATOM 1343 N GLU A 87 6.480 -10.902 -5.269 1.00 1.00 N ATOM 1344 CA GLU A 87 6.452 -12.160 -6.022 1.00 1.00 C ATOM 1345 C GLU A 87 5.173 -12.282 -6.840 1.00 1.00 C ATOM 1346 O GLU A 87 4.065 -12.173 -6.312 1.00 1.00 O ATOM 1347 CB GLU A 87 6.534 -13.342 -5.052 1.00 1.00 C ATOM 1348 CG GLU A 87 7.899 -13.358 -4.361 1.00 1.00 C ATOM 1349 CD GLU A 87 8.999 -13.642 -5.378 1.00 1.00 C ATOM 1350 OE1 GLU A 87 8.687 -14.199 -6.420 1.00 1.00 O ATOM 1351 OE2 GLU A 87 10.137 -13.303 -5.103 1.00 1.00 O ATOM 0 H GLU A 87 5.726 -10.800 -4.589 1.00 1.00 H new ATOM 0 HA GLU A 87 7.305 -12.167 -6.700 1.00 1.00 H new ATOM 0 HB2 GLU A 87 5.741 -13.268 -4.308 1.00 1.00 H new ATOM 0 HB3 GLU A 87 6.379 -14.277 -5.591 1.00 1.00 H new ATOM 0 HG2 GLU A 87 8.081 -12.399 -3.876 1.00 1.00 H new ATOM 0 HG3 GLU A 87 7.911 -14.118 -3.580 1.00 1.00 H new ATOM 1358 N GLU A 88 5.345 -12.535 -8.128 1.00 1.00 N ATOM 1359 CA GLU A 88 4.209 -12.703 -9.020 1.00 1.00 C ATOM 1360 C GLU A 88 3.583 -14.073 -8.796 1.00 1.00 C ATOM 1361 O GLU A 88 4.290 -15.053 -8.572 1.00 1.00 O ATOM 1362 CB GLU A 88 4.661 -12.561 -10.476 1.00 1.00 C ATOM 1363 CG GLU A 88 5.631 -13.692 -10.827 1.00 1.00 C ATOM 1364 CD GLU A 88 6.209 -13.470 -12.220 1.00 1.00 C ATOM 1365 OE1 GLU A 88 6.467 -12.326 -12.558 1.00 1.00 O ATOM 1366 OE2 GLU A 88 6.385 -14.447 -12.929 1.00 1.00 O ATOM 0 H GLU A 88 6.256 -12.628 -8.577 1.00 1.00 H new ATOM 0 HA GLU A 88 3.468 -11.933 -8.808 1.00 1.00 H new ATOM 0 HB2 GLU A 88 3.797 -12.591 -11.140 1.00 1.00 H new ATOM 0 HB3 GLU A 88 5.144 -11.595 -10.625 1.00 1.00 H new ATOM 0 HG2 GLU A 88 6.436 -13.733 -10.093 1.00 1.00 H new ATOM 0 HG3 GLU A 88 5.114 -14.651 -10.787 1.00 1.00 H new ATOM 1373 N VAL A 89 2.257 -14.148 -8.870 1.00 1.00 N ATOM 1374 CA VAL A 89 1.561 -15.423 -8.687 1.00 1.00 C ATOM 1375 C VAL A 89 1.275 -16.063 -10.041 1.00 1.00 C ATOM 1376 O VAL A 89 0.862 -15.386 -10.984 1.00 1.00 O ATOM 1377 CB VAL A 89 0.248 -15.217 -7.944 1.00 1.00 C ATOM 1378 CG1 VAL A 89 -0.290 -16.570 -7.471 1.00 1.00 C ATOM 1379 CG2 VAL A 89 0.473 -14.302 -6.740 1.00 1.00 C ATOM 0 H VAL A 89 1.646 -13.352 -9.053 1.00 1.00 H new ATOM 0 HA VAL A 89 2.204 -16.079 -8.100 1.00 1.00 H new ATOM 0 HB VAL A 89 -0.476 -14.754 -8.614 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -1.230 -16.422 -6.939 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -0.458 -17.216 -8.333 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.435 -17.037 -6.804 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -0.469 -14.158 -6.212 1.00 1.00 H new ATOM 0 HG22 VAL A 89 1.200 -14.758 -6.068 1.00 1.00 H new ATOM 0 HG23 VAL A 89 0.849 -13.338 -7.081 1.00 1.00 H new ATOM 1389 N SER A 90 1.505 -17.365 -10.125 1.00 1.00 N ATOM 1390 CA SER A 90 1.278 -18.106 -11.366 1.00 1.00 C ATOM 1391 C SER A 90 -0.020 -17.638 -12.051 1.00 1.00 C ATOM 1392 O SER A 90 -1.074 -17.623 -11.416 1.00 1.00 O ATOM 1393 CB SER A 90 1.179 -19.602 -11.059 1.00 1.00 C ATOM 1394 OG SER A 90 2.359 -20.022 -10.387 1.00 1.00 O ATOM 0 H SER A 90 1.849 -17.934 -9.351 1.00 1.00 H new ATOM 0 HA SER A 90 2.115 -17.920 -12.039 1.00 1.00 H new ATOM 0 HB2 SER A 90 0.304 -19.801 -10.440 1.00 1.00 H new ATOM 0 HB3 SER A 90 1.052 -20.167 -11.982 1.00 1.00 H new ATOM 0 HG SER A 90 2.298 -20.979 -10.187 1.00 1.00 H new ATOM 1533 N SER A 100 -8.281 -6.997 -15.563 1.00 1.00 N ATOM 1534 CA SER A 100 -8.529 -5.988 -14.536 1.00 1.00 C ATOM 1535 C SER A 100 -8.438 -6.637 -13.160 1.00 1.00 C ATOM 1536 O SER A 100 -9.242 -6.362 -12.270 1.00 1.00 O ATOM 1537 CB SER A 100 -9.913 -5.365 -14.737 1.00 1.00 C ATOM 1538 OG SER A 100 -10.215 -4.524 -13.634 1.00 1.00 O ATOM 0 HA SER A 100 -7.780 -5.200 -14.612 1.00 1.00 H new ATOM 0 HB2 SER A 100 -9.935 -4.791 -15.663 1.00 1.00 H new ATOM 0 HB3 SER A 100 -10.666 -6.147 -14.829 1.00 1.00 H new ATOM 0 HG SER A 100 -10.310 -5.068 -12.824 1.00 1.00 H new ATOM 1544 N ASP A 101 -7.428 -7.495 -13.010 1.00 1.00 N ATOM 1545 CA ASP A 101 -7.181 -8.205 -11.755 1.00 1.00 C ATOM 1546 C ASP A 101 -5.684 -8.473 -11.589 1.00 1.00 C ATOM 1547 O ASP A 101 -5.214 -9.584 -11.837 1.00 1.00 O ATOM 1548 CB ASP A 101 -7.938 -9.540 -11.741 1.00 1.00 C ATOM 1549 CG ASP A 101 -9.431 -9.311 -11.520 1.00 1.00 C ATOM 1550 OD1 ASP A 101 -9.784 -8.257 -11.025 1.00 1.00 O ATOM 1551 OD2 ASP A 101 -10.201 -10.199 -11.854 1.00 1.00 O ATOM 0 H ASP A 101 -6.762 -7.716 -13.750 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.533 -7.583 -10.932 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -7.781 -10.063 -12.684 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -7.542 -10.180 -10.952 1.00 1.00 H new ATOM 1556 N VAL A 102 -4.942 -7.454 -11.169 1.00 1.00 N ATOM 1557 CA VAL A 102 -3.501 -7.600 -10.973 1.00 1.00 C ATOM 1558 C VAL A 102 -3.231 -8.495 -9.780 1.00 1.00 C ATOM 1559 O VAL A 102 -3.799 -8.298 -8.716 1.00 1.00 O ATOM 1560 CB VAL A 102 -2.855 -6.238 -10.727 1.00 1.00 C ATOM 1561 CG1 VAL A 102 -1.342 -6.402 -10.567 1.00 1.00 C ATOM 1562 CG2 VAL A 102 -3.154 -5.330 -11.912 1.00 1.00 C ATOM 0 H VAL A 102 -5.308 -6.526 -10.959 1.00 1.00 H new ATOM 0 HA VAL A 102 -3.075 -8.044 -11.873 1.00 1.00 H new ATOM 0 HB VAL A 102 -3.259 -5.798 -9.815 1.00 1.00 H new ATOM 0 HG11 VAL A 102 -0.887 -5.427 -10.392 1.00 1.00 H new ATOM 0 HG12 VAL A 102 -1.134 -7.057 -9.721 1.00 1.00 H new ATOM 0 HG13 VAL A 102 -0.925 -6.839 -11.474 1.00 1.00 H new ATOM 0 HG21 VAL A 102 -2.697 -4.354 -11.747 1.00 1.00 H new ATOM 0 HG22 VAL A 102 -2.747 -5.772 -12.821 1.00 1.00 H new ATOM 0 HG23 VAL A 102 -4.233 -5.213 -12.017 1.00 1.00 H new ATOM 1572 N THR A 103 -2.342 -9.463 -9.955 1.00 1.00 N ATOM 1573 CA THR A 103 -2.000 -10.376 -8.862 1.00 1.00 C ATOM 1574 C THR A 103 -0.578 -10.112 -8.388 1.00 1.00 C ATOM 1575 O THR A 103 0.393 -10.363 -9.103 1.00 1.00 O ATOM 1576 CB THR A 103 -2.137 -11.835 -9.337 1.00 1.00 C ATOM 1577 OG1 THR A 103 -3.208 -11.922 -10.268 1.00 1.00 O ATOM 1578 CG2 THR A 103 -2.437 -12.745 -8.143 1.00 1.00 C ATOM 0 H THR A 103 -1.848 -9.639 -10.830 1.00 1.00 H new ATOM 0 HA THR A 103 -2.685 -10.208 -8.031 1.00 1.00 H new ATOM 0 HB THR A 103 -1.205 -12.151 -9.806 1.00 1.00 H new ATOM 0 HG1 THR A 103 -3.300 -12.848 -10.576 1.00 1.00 H new ATOM 0 HG21 THR A 103 -2.533 -13.775 -8.486 1.00 1.00 H new ATOM 0 HG22 THR A 103 -1.624 -12.677 -7.420 1.00 1.00 H new ATOM 0 HG23 THR A 103 -3.368 -12.431 -7.672 1.00 1.00 H new ATOM 1586 N VAL A 104 -0.474 -9.602 -7.165 1.00 1.00 N ATOM 1587 CA VAL A 104 0.813 -9.290 -6.557 1.00 1.00 C ATOM 1588 C VAL A 104 0.844 -9.852 -5.138 1.00 1.00 C ATOM 1589 O VAL A 104 -0.113 -9.696 -4.381 1.00 1.00 O ATOM 1590 CB VAL A 104 1.023 -7.764 -6.537 1.00 1.00 C ATOM 1591 CG1 VAL A 104 0.129 -7.122 -5.469 1.00 1.00 C ATOM 1592 CG2 VAL A 104 2.491 -7.455 -6.224 1.00 1.00 C ATOM 0 H VAL A 104 -1.276 -9.394 -6.570 1.00 1.00 H new ATOM 0 HA VAL A 104 1.617 -9.742 -7.138 1.00 1.00 H new ATOM 0 HB VAL A 104 0.760 -7.357 -7.513 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.286 -6.043 -5.464 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -0.916 -7.336 -5.693 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.381 -7.530 -4.490 1.00 1.00 H new ATOM 0 HG21 VAL A 104 2.641 -6.375 -6.210 1.00 1.00 H new ATOM 0 HG22 VAL A 104 2.751 -7.870 -5.250 1.00 1.00 H new ATOM 0 HG23 VAL A 104 3.128 -7.899 -6.989 1.00 1.00 H new ATOM 1602 N GLN A 105 1.946 -10.505 -4.784 1.00 1.00 N ATOM 1603 CA GLN A 105 2.095 -11.091 -3.449 1.00 1.00 C ATOM 1604 C GLN A 105 3.294 -10.477 -2.736 1.00 1.00 C ATOM 1605 O GLN A 105 4.434 -10.675 -3.156 1.00 1.00 O ATOM 1606 CB GLN A 105 2.295 -12.609 -3.595 1.00 1.00 C ATOM 1607 CG GLN A 105 1.962 -13.314 -2.278 1.00 1.00 C ATOM 1608 CD GLN A 105 2.970 -12.924 -1.205 1.00 1.00 C ATOM 1609 OE1 GLN A 105 4.130 -13.323 -1.270 1.00 1.00 O ATOM 1610 NE2 GLN A 105 2.595 -12.158 -0.219 1.00 1.00 N ATOM 0 H GLN A 105 2.749 -10.644 -5.398 1.00 1.00 H new ATOM 0 HA GLN A 105 1.201 -10.889 -2.859 1.00 1.00 H new ATOM 0 HB2 GLN A 105 1.658 -12.992 -4.392 1.00 1.00 H new ATOM 0 HB3 GLN A 105 3.325 -12.822 -3.880 1.00 1.00 H new ATOM 0 HG2 GLN A 105 0.956 -13.045 -1.957 1.00 1.00 H new ATOM 0 HG3 GLN A 105 1.973 -14.394 -2.422 1.00 1.00 H new ATOM 0 HE21 GLN A 105 1.631 -11.828 -0.168 1.00 1.00 H new ATOM 0 HE22 GLN A 105 3.265 -11.889 0.501 1.00 1.00 H new ATOM 1619 N LEU A 106 3.048 -9.711 -1.668 1.00 1.00 N ATOM 1620 CA LEU A 106 4.140 -9.069 -0.945 1.00 1.00 C ATOM 1621 C LEU A 106 4.789 -10.041 0.025 1.00 1.00 C ATOM 1622 O LEU A 106 4.119 -10.626 0.859 1.00 1.00 O ATOM 1623 CB LEU A 106 3.584 -7.888 -0.151 1.00 1.00 C ATOM 1624 CG LEU A 106 2.786 -6.966 -1.076 1.00 1.00 C ATOM 1625 CD1 LEU A 106 2.176 -5.829 -0.252 1.00 1.00 C ATOM 1626 CD2 LEU A 106 3.709 -6.386 -2.160 1.00 1.00 C ATOM 0 H LEU A 106 2.118 -9.525 -1.293 1.00 1.00 H new ATOM 0 HA LEU A 106 4.886 -8.735 -1.666 1.00 1.00 H new ATOM 0 HB2 LEU A 106 2.946 -8.249 0.655 1.00 1.00 H new ATOM 0 HB3 LEU A 106 4.400 -7.334 0.313 1.00 1.00 H new ATOM 0 HG LEU A 106 1.991 -7.535 -1.557 1.00 1.00 H new ATOM 0 HD11 LEU A 106 1.607 -5.170 -0.907 1.00 1.00 H new ATOM 0 HD12 LEU A 106 1.515 -6.245 0.508 1.00 1.00 H new ATOM 0 HD13 LEU A 106 2.972 -5.262 0.231 1.00 1.00 H new ATOM 0 HD21 LEU A 106 3.134 -5.731 -2.815 1.00 1.00 H new ATOM 0 HD22 LEU A 106 4.510 -5.816 -1.689 1.00 1.00 H new ATOM 0 HD23 LEU A 106 4.138 -7.199 -2.746 1.00 1.00 H new ATOM 1638 N ASN A 107 6.095 -10.220 -0.115 1.00 1.00 N ATOM 1639 CA ASN A 107 6.832 -11.159 0.744 1.00 1.00 C ATOM 1640 C ASN A 107 7.811 -10.458 1.680 1.00 1.00 C ATOM 1641 O ASN A 107 9.024 -10.610 1.536 1.00 1.00 O ATOM 1642 CB ASN A 107 7.595 -12.155 -0.117 1.00 1.00 C ATOM 1643 CG ASN A 107 6.664 -12.771 -1.150 1.00 1.00 C ATOM 1644 OD1 ASN A 107 6.125 -12.012 -2.061 1.00 1.00 O flip ATOM 1645 ND2 ASN A 107 6.415 -13.977 -1.122 1.00 1.00 N flip ATOM 0 H ASN A 107 6.669 -9.736 -0.806 1.00 1.00 H new ATOM 0 HA ASN A 107 6.093 -11.670 1.361 1.00 1.00 H new ATOM 0 HB2 ASN A 107 8.425 -11.655 -0.616 1.00 1.00 H new ATOM 0 HB3 ASN A 107 8.024 -12.937 0.510 1.00 1.00 H new ATOM 0 HD21 ASN A 107 6.839 -14.569 -0.407 1.00 1.00 H new ATOM 0 HD22 ASN A 107 5.785 -14.384 -1.813 1.00 1.00 H new ATOM 1652 N THR A 108 7.294 -9.711 2.653 1.00 1.00 N ATOM 1653 CA THR A 108 8.159 -9.026 3.606 1.00 1.00 C ATOM 1654 C THR A 108 8.636 -9.995 4.679 1.00 1.00 C ATOM 1655 O THR A 108 8.277 -11.174 4.676 1.00 1.00 O ATOM 1656 CB THR A 108 7.428 -7.854 4.257 1.00 1.00 C ATOM 1657 OG1 THR A 108 6.549 -8.341 5.259 1.00 1.00 O ATOM 1658 CG2 THR A 108 6.639 -7.091 3.194 1.00 1.00 C ATOM 0 H THR A 108 6.295 -9.567 2.800 1.00 1.00 H new ATOM 0 HA THR A 108 9.022 -8.641 3.063 1.00 1.00 H new ATOM 0 HB THR A 108 8.152 -7.180 4.715 1.00 1.00 H new ATOM 0 HG1 THR A 108 6.636 -7.792 6.066 1.00 1.00 H new ATOM 0 HG21 THR A 108 6.117 -6.254 3.659 1.00 1.00 H new ATOM 0 HG22 THR A 108 7.323 -6.715 2.433 1.00 1.00 H new ATOM 0 HG23 THR A 108 5.913 -7.759 2.730 1.00 1.00 H new ATOM 1666 N ALA A 109 9.463 -9.489 5.579 1.00 1.00 N ATOM 1667 CA ALA A 109 10.020 -10.309 6.647 1.00 1.00 C ATOM 1668 C ALA A 109 8.935 -11.111 7.364 1.00 1.00 C ATOM 1669 O ALA A 109 9.141 -12.281 7.686 1.00 1.00 O ATOM 1670 CB ALA A 109 10.742 -9.419 7.658 1.00 1.00 C ATOM 0 H ALA A 109 9.765 -8.515 5.593 1.00 1.00 H new ATOM 0 HA ALA A 109 10.722 -11.011 6.197 1.00 1.00 H new ATOM 0 HB1 ALA A 109 11.157 -10.036 8.455 1.00 1.00 H new ATOM 0 HB2 ALA A 109 11.548 -8.881 7.159 1.00 1.00 H new ATOM 0 HB3 ALA A 109 10.037 -8.704 8.082 1.00 1.00 H new ATOM 1676 N GLU A 110 7.784 -10.487 7.617 1.00 1.00 N ATOM 1677 CA GLU A 110 6.681 -11.167 8.305 1.00 1.00 C ATOM 1678 C GLU A 110 5.390 -11.034 7.511 1.00 1.00 C ATOM 1679 O GLU A 110 4.553 -11.938 7.512 1.00 1.00 O ATOM 1680 CB GLU A 110 6.489 -10.560 9.697 1.00 1.00 C ATOM 1681 CG GLU A 110 6.154 -9.071 9.569 1.00 1.00 C ATOM 1682 CD GLU A 110 6.043 -8.442 10.954 1.00 1.00 C ATOM 1683 OE1 GLU A 110 5.626 -9.134 11.868 1.00 1.00 O ATOM 1684 OE2 GLU A 110 6.375 -7.274 11.079 1.00 1.00 O ATOM 0 H GLU A 110 7.590 -9.519 7.359 1.00 1.00 H new ATOM 0 HA GLU A 110 6.929 -12.225 8.396 1.00 1.00 H new ATOM 0 HB2 GLU A 110 5.688 -11.079 10.223 1.00 1.00 H new ATOM 0 HB3 GLU A 110 7.395 -10.689 10.289 1.00 1.00 H new ATOM 0 HG2 GLU A 110 6.927 -8.564 8.991 1.00 1.00 H new ATOM 0 HG3 GLU A 110 5.217 -8.946 9.027 1.00 1.00 H new ATOM 1691 N LEU A 111 5.225 -9.900 6.841 1.00 1.00 N ATOM 1692 CA LEU A 111 4.025 -9.671 6.058 1.00 1.00 C ATOM 1693 C LEU A 111 4.052 -10.567 4.826 1.00 1.00 C ATOM 1694 O LEU A 111 5.036 -10.596 4.089 1.00 1.00 O ATOM 1695 CB LEU A 111 3.940 -8.179 5.649 1.00 1.00 C ATOM 1696 CG LEU A 111 2.478 -7.673 5.699 1.00 1.00 C ATOM 1697 CD1 LEU A 111 2.116 -7.260 7.132 1.00 1.00 C ATOM 1698 CD2 LEU A 111 2.306 -6.467 4.751 1.00 1.00 C ATOM 0 H LEU A 111 5.900 -9.135 6.826 1.00 1.00 H new ATOM 0 HA LEU A 111 3.144 -9.913 6.652 1.00 1.00 H new ATOM 0 HB2 LEU A 111 4.559 -7.579 6.316 1.00 1.00 H new ATOM 0 HB3 LEU A 111 4.339 -8.051 4.643 1.00 1.00 H new ATOM 0 HG LEU A 111 1.815 -8.477 5.380 1.00 1.00 H new ATOM 0 HD11 LEU A 111 1.086 -6.905 7.159 1.00 1.00 H new ATOM 0 HD12 LEU A 111 2.222 -8.118 7.796 1.00 1.00 H new ATOM 0 HD13 LEU A 111 2.783 -6.463 7.460 1.00 1.00 H new ATOM 0 HD21 LEU A 111 1.275 -6.116 4.792 1.00 1.00 H new ATOM 0 HD22 LEU A 111 2.975 -5.663 5.059 1.00 1.00 H new ATOM 0 HD23 LEU A 111 2.547 -6.768 3.732 1.00 1.00 H new ATOM 1710 N LYS A 112 2.960 -11.282 4.605 1.00 1.00 N ATOM 1711 CA LYS A 112 2.856 -12.165 3.453 1.00 1.00 C ATOM 1712 C LYS A 112 1.398 -12.359 3.102 1.00 1.00 C ATOM 1713 O LYS A 112 0.718 -13.199 3.685 1.00 1.00 O ATOM 1714 CB LYS A 112 3.508 -13.513 3.742 1.00 1.00 C ATOM 1715 CG LYS A 112 3.533 -14.339 2.454 1.00 1.00 C ATOM 1716 CD LYS A 112 4.266 -15.656 2.703 1.00 1.00 C ATOM 1717 CE LYS A 112 4.307 -16.470 1.409 1.00 1.00 C ATOM 1718 NZ LYS A 112 5.046 -17.741 1.649 1.00 1.00 N ATOM 0 H LYS A 112 2.136 -11.269 5.206 1.00 1.00 H new ATOM 0 HA LYS A 112 3.378 -11.710 2.612 1.00 1.00 H new ATOM 0 HB2 LYS A 112 4.521 -13.369 4.117 1.00 1.00 H new ATOM 0 HB3 LYS A 112 2.953 -14.041 4.518 1.00 1.00 H new ATOM 0 HG2 LYS A 112 2.515 -14.536 2.117 1.00 1.00 H new ATOM 0 HG3 LYS A 112 4.029 -13.779 1.661 1.00 1.00 H new ATOM 0 HD2 LYS A 112 5.279 -15.460 3.054 1.00 1.00 H new ATOM 0 HD3 LYS A 112 3.762 -16.223 3.486 1.00 1.00 H new ATOM 0 HE2 LYS A 112 3.294 -16.684 1.068 1.00 1.00 H new ATOM 0 HE3 LYS A 112 4.794 -15.896 0.620 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 5.075 -18.297 0.770 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 6.016 -17.526 1.955 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 4.563 -18.289 2.389 1.00 1.00 H new ATOM 1732 N LEU A 113 0.913 -11.560 2.153 1.00 1.00 N ATOM 1733 CA LEU A 113 -0.498 -11.629 1.745 1.00 1.00 C ATOM 1734 C LEU A 113 -0.634 -11.470 0.226 1.00 1.00 C ATOM 1735 O LEU A 113 0.357 -11.338 -0.486 1.00 1.00 O ATOM 1736 CB LEU A 113 -1.301 -10.516 2.477 1.00 1.00 C ATOM 1737 CG LEU A 113 -2.202 -11.088 3.607 1.00 1.00 C ATOM 1738 CD1 LEU A 113 -3.171 -12.164 3.048 1.00 1.00 C ATOM 1739 CD2 LEU A 113 -1.344 -11.680 4.749 1.00 1.00 C ATOM 0 H LEU A 113 1.466 -10.863 1.654 1.00 1.00 H new ATOM 0 HA LEU A 113 -0.898 -12.605 2.018 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -0.608 -9.789 2.900 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -1.920 -9.983 1.756 1.00 1.00 H new ATOM 0 HG LEU A 113 -2.794 -10.267 4.011 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.792 -12.550 3.857 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -3.807 -11.719 2.283 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -2.596 -12.980 2.611 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -1.997 -12.074 5.528 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -0.721 -12.484 4.357 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -0.708 -10.900 5.168 1.00 1.00 H new ATOM 1751 N VAL A 114 -1.882 -11.474 -0.251 1.00 1.00 N ATOM 1752 CA VAL A 114 -2.170 -11.328 -1.680 1.00 1.00 C ATOM 1753 C VAL A 114 -3.182 -10.203 -1.900 1.00 1.00 C ATOM 1754 O VAL A 114 -4.202 -10.138 -1.214 1.00 1.00 O ATOM 1755 CB VAL A 114 -2.759 -12.638 -2.218 1.00 1.00 C ATOM 1756 CG1 VAL A 114 -3.247 -12.440 -3.657 1.00 1.00 C ATOM 1757 CG2 VAL A 114 -1.696 -13.740 -2.183 1.00 1.00 C ATOM 0 H VAL A 114 -2.711 -11.577 0.334 1.00 1.00 H new ATOM 0 HA VAL A 114 -1.244 -11.090 -2.204 1.00 1.00 H new ATOM 0 HB VAL A 114 -3.601 -12.930 -1.591 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -3.664 -13.375 -4.032 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -4.015 -11.666 -3.678 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -2.410 -12.138 -4.287 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -2.121 -14.668 -2.566 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -0.847 -13.447 -2.801 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -1.362 -13.891 -1.156 1.00 1.00 H new ATOM 1767 N PHE A 115 -2.902 -9.325 -2.866 1.00 1.00 N ATOM 1768 CA PHE A 115 -3.798 -8.210 -3.182 1.00 1.00 C ATOM 1769 C PHE A 115 -4.161 -8.211 -4.666 1.00 1.00 C ATOM 1770 O PHE A 115 -3.326 -8.503 -5.524 1.00 1.00 O ATOM 1771 CB PHE A 115 -3.131 -6.878 -2.825 1.00 1.00 C ATOM 1772 CG PHE A 115 -3.144 -6.690 -1.328 1.00 1.00 C ATOM 1773 CD1 PHE A 115 -2.118 -7.223 -0.538 1.00 1.00 C ATOM 1774 CD2 PHE A 115 -4.191 -5.980 -0.733 1.00 1.00 C ATOM 1775 CE1 PHE A 115 -2.144 -7.045 0.852 1.00 1.00 C ATOM 1776 CE2 PHE A 115 -4.216 -5.803 0.651 1.00 1.00 C ATOM 1777 CZ PHE A 115 -3.194 -6.336 1.446 1.00 1.00 C ATOM 0 H PHE A 115 -2.062 -9.365 -3.443 1.00 1.00 H new ATOM 0 HA PHE A 115 -4.708 -8.331 -2.594 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -2.106 -6.863 -3.195 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -3.657 -6.055 -3.309 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -1.309 -7.770 -0.999 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -4.980 -5.568 -1.344 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -1.354 -7.455 1.464 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -5.025 -5.254 1.110 1.00 1.00 H new ATOM 0 HZ PHE A 115 -3.216 -6.200 2.517 1.00 1.00 H new ATOM 1787 N GLN A 116 -5.421 -7.882 -4.951 1.00 1.00 N ATOM 1788 CA GLN A 116 -5.920 -7.839 -6.328 1.00 1.00 C ATOM 1789 C GLN A 116 -6.161 -6.390 -6.768 1.00 1.00 C ATOM 1790 O GLN A 116 -7.245 -5.844 -6.563 1.00 1.00 O ATOM 1791 CB GLN A 116 -7.227 -8.638 -6.430 1.00 1.00 C ATOM 1792 CG GLN A 116 -7.474 -9.049 -7.885 1.00 1.00 C ATOM 1793 CD GLN A 116 -6.481 -10.127 -8.295 1.00 1.00 C ATOM 1794 OE1 GLN A 116 -5.571 -9.848 -9.183 1.00 1.00 O flip ATOM 1795 NE2 GLN A 116 -6.523 -11.245 -7.782 1.00 1.00 N flip ATOM 0 H GLN A 116 -6.117 -7.641 -4.246 1.00 1.00 H new ATOM 0 HA GLN A 116 -5.172 -8.282 -6.985 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -7.172 -9.524 -5.797 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -8.060 -8.037 -6.066 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -8.493 -9.419 -8.000 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -7.374 -8.183 -8.539 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -7.237 -11.460 -7.086 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -5.843 -11.956 -8.052 1.00 1.00 H new ATOM 1804 N LEU A 117 -5.142 -5.771 -7.367 1.00 1.00 N ATOM 1805 CA LEU A 117 -5.244 -4.382 -7.830 1.00 1.00 C ATOM 1806 C LEU A 117 -5.696 -4.345 -9.304 1.00 1.00 C ATOM 1807 O LEU A 117 -5.494 -5.313 -10.034 1.00 1.00 O ATOM 1808 CB LEU A 117 -3.874 -3.694 -7.670 1.00 1.00 C ATOM 1809 CG LEU A 117 -3.152 -4.254 -6.435 1.00 1.00 C ATOM 1810 CD1 LEU A 117 -1.823 -3.514 -6.244 1.00 1.00 C ATOM 1811 CD2 LEU A 117 -4.036 -4.071 -5.186 1.00 1.00 C ATOM 0 H LEU A 117 -4.237 -6.207 -7.544 1.00 1.00 H new ATOM 0 HA LEU A 117 -5.985 -3.852 -7.232 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -3.269 -3.857 -8.562 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -4.007 -2.617 -7.568 1.00 1.00 H new ATOM 0 HG LEU A 117 -2.958 -5.317 -6.579 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -1.309 -3.910 -5.368 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -1.198 -3.655 -7.126 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -2.016 -2.451 -6.102 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -3.519 -4.470 -4.313 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -4.238 -3.010 -5.035 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -4.977 -4.603 -5.325 1.00 1.00 H new ATOM 1823 N PRO A 118 -6.309 -3.269 -9.759 1.00 1.00 N ATOM 1824 CA PRO A 118 -6.782 -3.166 -11.179 1.00 1.00 C ATOM 1825 C PRO A 118 -5.642 -2.895 -12.168 1.00 1.00 C ATOM 1826 O PRO A 118 -4.755 -2.081 -11.911 1.00 1.00 O ATOM 1827 CB PRO A 118 -7.776 -2.001 -11.133 1.00 1.00 C ATOM 1828 CG PRO A 118 -7.266 -1.117 -10.042 1.00 1.00 C ATOM 1829 CD PRO A 118 -6.631 -2.046 -8.995 1.00 1.00 C ATOM 0 HA PRO A 118 -7.222 -4.098 -11.535 1.00 1.00 H new ATOM 0 HB2 PRO A 118 -7.814 -1.474 -12.086 1.00 1.00 H new ATOM 0 HB3 PRO A 118 -8.787 -2.350 -10.921 1.00 1.00 H new ATOM 0 HG2 PRO A 118 -6.534 -0.407 -10.427 1.00 1.00 H new ATOM 0 HG3 PRO A 118 -8.076 -0.534 -9.604 1.00 1.00 H new ATOM 0 HD2 PRO A 118 -5.738 -1.602 -8.555 1.00 1.00 H new ATOM 0 HD3 PRO A 118 -7.319 -2.255 -8.176 1.00 1.00 H new ATOM 1837 N PHE A 119 -5.666 -3.620 -13.282 1.00 1.00 N ATOM 1838 CA PHE A 119 -4.643 -3.536 -14.325 1.00 1.00 C ATOM 1839 C PHE A 119 -4.289 -2.122 -14.745 1.00 1.00 C ATOM 1840 O PHE A 119 -5.156 -1.275 -14.961 1.00 1.00 O ATOM 1841 CB PHE A 119 -5.140 -4.291 -15.553 1.00 1.00 C ATOM 1842 CG PHE A 119 -4.061 -4.313 -16.606 1.00 1.00 C ATOM 1843 CD1 PHE A 119 -3.098 -5.327 -16.599 1.00 1.00 C ATOM 1844 CD2 PHE A 119 -4.030 -3.321 -17.593 1.00 1.00 C ATOM 1845 CE1 PHE A 119 -2.099 -5.349 -17.579 1.00 1.00 C ATOM 1846 CE2 PHE A 119 -3.030 -3.343 -18.573 1.00 1.00 C ATOM 1847 CZ PHE A 119 -2.066 -4.357 -18.565 1.00 1.00 C ATOM 0 H PHE A 119 -6.405 -4.292 -13.491 1.00 1.00 H new ATOM 0 HA PHE A 119 -3.737 -3.970 -13.902 1.00 1.00 H new ATOM 0 HB2 PHE A 119 -5.415 -5.309 -15.279 1.00 1.00 H new ATOM 0 HB3 PHE A 119 -6.037 -3.813 -15.947 1.00 1.00 H new ATOM 0 HD1 PHE A 119 -3.125 -6.093 -15.838 1.00 1.00 H new ATOM 0 HD2 PHE A 119 -4.776 -2.540 -17.599 1.00 1.00 H new ATOM 0 HE1 PHE A 119 -1.354 -6.131 -17.574 1.00 1.00 H new ATOM 0 HE2 PHE A 119 -3.003 -2.578 -19.335 1.00 1.00 H new ATOM 0 HZ PHE A 119 -1.295 -4.374 -19.321 1.00 1.00 H new ATOM 1857 N GLY A 120 -2.986 -1.900 -14.874 1.00 1.00 N ATOM 1858 CA GLY A 120 -2.454 -0.615 -15.290 1.00 1.00 C ATOM 1859 C GLY A 120 -3.249 0.538 -14.708 1.00 1.00 C ATOM 1860 O GLY A 120 -3.544 0.562 -13.513 1.00 1.00 O ATOM 0 H GLY A 120 -2.273 -2.606 -14.693 1.00 1.00 H new ATOM 0 HA2 GLY A 120 -1.413 -0.534 -14.977 1.00 1.00 H new ATOM 0 HA3 GLY A 120 -2.465 -0.552 -16.378 1.00 1.00 H new ATOM 1864 N SER A 121 -3.587 1.498 -15.560 1.00 1.00 N ATOM 1865 CA SER A 121 -4.345 2.656 -15.123 1.00 1.00 C ATOM 1866 C SER A 121 -3.634 3.356 -13.965 1.00 1.00 C ATOM 1867 O SER A 121 -2.539 3.893 -14.135 1.00 1.00 O ATOM 1868 CB SER A 121 -5.749 2.220 -14.695 1.00 1.00 C ATOM 1869 OG SER A 121 -5.675 1.530 -13.455 1.00 1.00 O ATOM 0 H SER A 121 -3.348 1.495 -16.552 1.00 1.00 H new ATOM 0 HA SER A 121 -4.424 3.359 -15.952 1.00 1.00 H new ATOM 0 HB2 SER A 121 -6.398 3.090 -14.601 1.00 1.00 H new ATOM 0 HB3 SER A 121 -6.189 1.575 -15.456 1.00 1.00 H new ATOM 0 HG SER A 121 -4.761 1.204 -13.316 1.00 1.00 H new ATOM 1875 N HIS A 122 -4.261 3.357 -12.795 1.00 1.00 N ATOM 1876 CA HIS A 122 -3.684 4.005 -11.621 1.00 1.00 C ATOM 1877 C HIS A 122 -2.739 3.057 -10.875 1.00 1.00 C ATOM 1878 O HIS A 122 -2.027 3.475 -9.962 1.00 1.00 O ATOM 1879 CB HIS A 122 -4.812 4.457 -10.690 1.00 1.00 C ATOM 1880 CG HIS A 122 -4.287 5.445 -9.683 1.00 1.00 C ATOM 1881 ND1 HIS A 122 -3.567 6.569 -10.052 1.00 1.00 N ATOM 1882 CD2 HIS A 122 -4.382 5.492 -8.316 1.00 1.00 C ATOM 1883 CE1 HIS A 122 -3.258 7.240 -8.925 1.00 1.00 C ATOM 1884 NE2 HIS A 122 -3.730 6.625 -7.839 1.00 1.00 N ATOM 0 H HIS A 122 -5.167 2.918 -12.633 1.00 1.00 H new ATOM 0 HA HIS A 122 -3.104 4.868 -11.948 1.00 1.00 H new ATOM 0 HB2 HIS A 122 -5.614 4.911 -11.272 1.00 1.00 H new ATOM 0 HB3 HIS A 122 -5.238 3.595 -10.177 1.00 1.00 H new ATOM 0 HD1 HIS A 122 -3.316 6.839 -11.003 1.00 1.00 H new ATOM 0 HD2 HIS A 122 -4.887 4.760 -7.702 1.00 1.00 H new ATOM 0 HE1 HIS A 122 -2.697 8.163 -8.903 1.00 1.00 H new ATOM 1892 N THR A 123 -2.740 1.782 -11.266 1.00 1.00 N ATOM 1893 CA THR A 123 -1.880 0.787 -10.624 1.00 1.00 C ATOM 1894 C THR A 123 -0.447 0.847 -11.141 1.00 1.00 C ATOM 1895 O THR A 123 0.491 0.605 -10.385 1.00 1.00 O ATOM 1896 CB THR A 123 -2.431 -0.624 -10.859 1.00 1.00 C ATOM 1897 OG1 THR A 123 -3.721 -0.731 -10.278 1.00 1.00 O ATOM 1898 CG2 THR A 123 -1.493 -1.655 -10.216 1.00 1.00 C ATOM 0 H THR A 123 -3.322 1.416 -12.019 1.00 1.00 H new ATOM 0 HA THR A 123 -1.872 1.017 -9.559 1.00 1.00 H new ATOM 0 HB THR A 123 -2.498 -0.813 -11.930 1.00 1.00 H new ATOM 0 HG1 THR A 123 -4.354 -1.065 -10.947 1.00 1.00 H new ATOM 0 HG21 THR A 123 -1.885 -2.658 -10.383 1.00 1.00 H new ATOM 0 HG22 THR A 123 -0.502 -1.574 -10.663 1.00 1.00 H new ATOM 0 HG23 THR A 123 -1.425 -1.466 -9.145 1.00 1.00 H new ATOM 1906 N ARG A 124 -0.280 1.135 -12.427 1.00 1.00 N ATOM 1907 CA ARG A 124 1.057 1.181 -13.025 1.00 1.00 C ATOM 1908 C ARG A 124 1.954 2.175 -12.305 1.00 1.00 C ATOM 1909 O ARG A 124 3.123 1.895 -12.037 1.00 1.00 O ATOM 1910 CB ARG A 124 0.946 1.593 -14.493 1.00 1.00 C ATOM 1911 CG ARG A 124 2.318 1.537 -15.158 1.00 1.00 C ATOM 1912 CD ARG A 124 2.190 1.996 -16.607 1.00 1.00 C ATOM 1913 NE ARG A 124 3.439 1.770 -17.321 1.00 1.00 N ATOM 1914 CZ ARG A 124 3.677 2.360 -18.487 1.00 1.00 C ATOM 1915 NH1 ARG A 124 2.786 3.158 -19.010 1.00 1.00 N ATOM 1916 NH2 ARG A 124 4.802 2.141 -19.109 1.00 1.00 N ATOM 0 H ARG A 124 -1.043 1.339 -13.073 1.00 1.00 H new ATOM 0 HA ARG A 124 1.497 0.188 -12.938 1.00 1.00 H new ATOM 0 HB2 ARG A 124 0.254 0.931 -15.013 1.00 1.00 H new ATOM 0 HB3 ARG A 124 0.539 2.601 -14.566 1.00 1.00 H new ATOM 0 HG2 ARG A 124 3.022 2.174 -14.623 1.00 1.00 H new ATOM 0 HG3 ARG A 124 2.714 0.522 -15.119 1.00 1.00 H new ATOM 0 HD2 ARG A 124 1.380 1.455 -17.097 1.00 1.00 H new ATOM 0 HD3 ARG A 124 1.931 3.054 -16.639 1.00 1.00 H new ATOM 0 HE ARG A 124 4.142 1.149 -16.920 1.00 1.00 H new ATOM 0 HH11 ARG A 124 1.906 3.329 -18.523 1.00 1.00 H new ATOM 0 HH12 ARG A 124 2.970 3.611 -19.905 1.00 1.00 H new ATOM 0 HH21 ARG A 124 5.498 1.517 -18.700 1.00 1.00 H new ATOM 0 HH22 ARG A 124 4.986 2.593 -20.004 1.00 1.00 H new ATOM 1930 N THR A 125 1.410 3.341 -12.017 1.00 1.00 N ATOM 1931 CA THR A 125 2.175 4.370 -11.344 1.00 1.00 C ATOM 1932 C THR A 125 2.699 3.851 -10.016 1.00 1.00 C ATOM 1933 O THR A 125 3.854 4.076 -9.659 1.00 1.00 O ATOM 1934 CB THR A 125 1.302 5.606 -11.115 1.00 1.00 C ATOM 1935 OG1 THR A 125 0.899 6.145 -12.365 1.00 1.00 O ATOM 1936 CG2 THR A 125 2.089 6.649 -10.333 1.00 1.00 C ATOM 0 H THR A 125 0.448 3.598 -12.237 1.00 1.00 H new ATOM 0 HA THR A 125 3.022 4.645 -11.972 1.00 1.00 H new ATOM 0 HB THR A 125 0.417 5.323 -10.546 1.00 1.00 H new ATOM 0 HG1 THR A 125 0.339 6.935 -12.215 1.00 1.00 H new ATOM 0 HG21 THR A 125 1.466 7.529 -10.171 1.00 1.00 H new ATOM 0 HG22 THR A 125 2.388 6.233 -9.371 1.00 1.00 H new ATOM 0 HG23 THR A 125 2.977 6.933 -10.897 1.00 1.00 H new ATOM 1944 N PHE A 126 1.837 3.159 -9.286 1.00 1.00 N ATOM 1945 CA PHE A 126 2.218 2.621 -7.986 1.00 1.00 C ATOM 1946 C PHE A 126 3.465 1.749 -8.101 1.00 1.00 C ATOM 1947 O PHE A 126 4.398 1.894 -7.310 1.00 1.00 O ATOM 1948 CB PHE A 126 1.071 1.791 -7.413 1.00 1.00 C ATOM 1949 CG PHE A 126 1.411 1.357 -6.009 1.00 1.00 C ATOM 1950 CD1 PHE A 126 2.166 0.200 -5.793 1.00 1.00 C ATOM 1951 CD2 PHE A 126 0.970 2.118 -4.920 1.00 1.00 C ATOM 1952 CE1 PHE A 126 2.481 -0.198 -4.488 1.00 1.00 C ATOM 1953 CE2 PHE A 126 1.285 1.720 -3.615 1.00 1.00 C ATOM 1954 CZ PHE A 126 2.040 0.562 -3.399 1.00 1.00 C ATOM 0 H PHE A 126 0.877 2.957 -9.567 1.00 1.00 H new ATOM 0 HA PHE A 126 2.437 3.457 -7.322 1.00 1.00 H new ATOM 0 HB2 PHE A 126 0.151 2.376 -7.411 1.00 1.00 H new ATOM 0 HB3 PHE A 126 0.892 0.918 -8.041 1.00 1.00 H new ATOM 0 HD1 PHE A 126 2.506 -0.387 -6.633 1.00 1.00 H new ATOM 0 HD2 PHE A 126 0.387 3.012 -5.086 1.00 1.00 H new ATOM 0 HE1 PHE A 126 3.064 -1.092 -4.322 1.00 1.00 H new ATOM 0 HE2 PHE A 126 0.945 2.307 -2.775 1.00 1.00 H new ATOM 0 HZ PHE A 126 2.282 0.255 -2.392 1.00 1.00 H new ATOM 1964 N LEU A 127 3.473 0.818 -9.052 1.00 1.00 N ATOM 1965 CA LEU A 127 4.607 -0.089 -9.193 1.00 1.00 C ATOM 1966 C LEU A 127 5.914 0.685 -9.261 1.00 1.00 C ATOM 1967 O LEU A 127 6.884 0.331 -8.592 1.00 1.00 O ATOM 1968 CB LEU A 127 4.483 -0.897 -10.488 1.00 1.00 C ATOM 1969 CG LEU A 127 3.095 -1.522 -10.592 1.00 1.00 C ATOM 1970 CD1 LEU A 127 3.007 -2.340 -11.883 1.00 1.00 C ATOM 1971 CD2 LEU A 127 2.834 -2.425 -9.382 1.00 1.00 C ATOM 0 H LEU A 127 2.721 0.673 -9.725 1.00 1.00 H new ATOM 0 HA LEU A 127 4.606 -0.748 -8.325 1.00 1.00 H new ATOM 0 HB2 LEU A 127 4.663 -0.250 -11.347 1.00 1.00 H new ATOM 0 HB3 LEU A 127 5.243 -1.678 -10.512 1.00 1.00 H new ATOM 0 HG LEU A 127 2.342 -0.734 -10.608 1.00 1.00 H new ATOM 0 HD11 LEU A 127 2.017 -2.789 -11.962 1.00 1.00 H new ATOM 0 HD12 LEU A 127 3.180 -1.688 -12.739 1.00 1.00 H new ATOM 0 HD13 LEU A 127 3.762 -3.126 -11.868 1.00 1.00 H new ATOM 0 HD21 LEU A 127 1.841 -2.867 -9.465 1.00 1.00 H new ATOM 0 HD22 LEU A 127 3.582 -3.217 -9.351 1.00 1.00 H new ATOM 0 HD23 LEU A 127 2.893 -1.834 -8.468 1.00 1.00 H new ATOM 1983 N GLN A 128 5.963 1.710 -10.094 1.00 1.00 N ATOM 1984 CA GLN A 128 7.179 2.487 -10.254 1.00 1.00 C ATOM 1985 C GLN A 128 7.566 3.235 -8.980 1.00 1.00 C ATOM 1986 O GLN A 128 8.743 3.292 -8.626 1.00 1.00 O ATOM 1987 CB GLN A 128 6.970 3.476 -11.388 1.00 1.00 C ATOM 1988 CG GLN A 128 6.804 2.686 -12.681 1.00 1.00 C ATOM 1989 CD GLN A 128 6.394 3.616 -13.797 1.00 1.00 C ATOM 1990 OE1 GLN A 128 7.240 4.202 -14.472 1.00 1.00 O ATOM 1991 NE2 GLN A 128 5.132 3.789 -14.027 1.00 1.00 N ATOM 0 H GLN A 128 5.179 2.022 -10.667 1.00 1.00 H new ATOM 0 HA GLN A 128 7.996 1.801 -10.478 1.00 1.00 H new ATOM 0 HB2 GLN A 128 6.088 4.089 -11.201 1.00 1.00 H new ATOM 0 HB3 GLN A 128 7.820 4.154 -11.463 1.00 1.00 H new ATOM 0 HG2 GLN A 128 7.739 2.187 -12.936 1.00 1.00 H new ATOM 0 HG3 GLN A 128 6.053 1.908 -12.549 1.00 1.00 H new ATOM 0 HE21 GLN A 128 4.439 3.299 -13.462 1.00 1.00 H new ATOM 0 HE22 GLN A 128 4.831 4.416 -14.773 1.00 1.00 H new ATOM 2000 N GLU A 129 6.584 3.819 -8.299 1.00 1.00 N ATOM 2001 CA GLU A 129 6.867 4.578 -7.080 1.00 1.00 C ATOM 2002 C GLU A 129 7.558 3.713 -6.029 1.00 1.00 C ATOM 2003 O GLU A 129 8.615 4.080 -5.513 1.00 1.00 O ATOM 2004 CB GLU A 129 5.571 5.141 -6.487 1.00 1.00 C ATOM 2005 CG GLU A 129 4.968 6.179 -7.436 1.00 1.00 C ATOM 2006 CD GLU A 129 5.849 7.425 -7.479 1.00 1.00 C ATOM 2007 OE1 GLU A 129 6.756 7.515 -6.669 1.00 1.00 O ATOM 2008 OE2 GLU A 129 5.597 8.274 -8.319 1.00 1.00 O ATOM 0 H GLU A 129 5.599 3.784 -8.563 1.00 1.00 H new ATOM 0 HA GLU A 129 7.534 5.395 -7.356 1.00 1.00 H new ATOM 0 HB2 GLU A 129 4.858 4.334 -6.318 1.00 1.00 H new ATOM 0 HB3 GLU A 129 5.773 5.597 -5.518 1.00 1.00 H new ATOM 0 HG2 GLU A 129 4.873 5.757 -8.436 1.00 1.00 H new ATOM 0 HG3 GLU A 129 3.964 6.445 -7.106 1.00 1.00 H new ATOM 2015 N VAL A 130 6.966 2.568 -5.712 1.00 1.00 N ATOM 2016 CA VAL A 130 7.550 1.678 -4.719 1.00 1.00 C ATOM 2017 C VAL A 130 8.882 1.120 -5.222 1.00 1.00 C ATOM 2018 O VAL A 130 9.850 1.035 -4.477 1.00 1.00 O ATOM 2019 CB VAL A 130 6.577 0.537 -4.395 1.00 1.00 C ATOM 2020 CG1 VAL A 130 6.286 -0.275 -5.655 1.00 1.00 C ATOM 2021 CG2 VAL A 130 7.190 -0.374 -3.330 1.00 1.00 C ATOM 0 H VAL A 130 6.093 2.238 -6.123 1.00 1.00 H new ATOM 0 HA VAL A 130 7.737 2.245 -3.807 1.00 1.00 H new ATOM 0 HB VAL A 130 5.645 0.960 -4.020 1.00 1.00 H new ATOM 0 HG11 VAL A 130 5.594 -1.083 -5.416 1.00 1.00 H new ATOM 0 HG12 VAL A 130 5.840 0.372 -6.410 1.00 1.00 H new ATOM 0 HG13 VAL A 130 7.215 -0.695 -6.040 1.00 1.00 H new ATOM 0 HG21 VAL A 130 6.497 -1.184 -3.101 1.00 1.00 H new ATOM 0 HG22 VAL A 130 8.125 -0.791 -3.703 1.00 1.00 H new ATOM 0 HG23 VAL A 130 7.385 0.203 -2.426 1.00 1.00 H new ATOM 2031 N ALA A 131 8.901 0.718 -6.486 1.00 1.00 N ATOM 2032 CA ALA A 131 10.101 0.134 -7.096 1.00 1.00 C ATOM 2033 C ALA A 131 11.334 1.023 -6.917 1.00 1.00 C ATOM 2034 O ALA A 131 12.386 0.549 -6.491 1.00 1.00 O ATOM 2035 CB ALA A 131 9.857 -0.083 -8.592 1.00 1.00 C ATOM 0 H ALA A 131 8.100 0.783 -7.115 1.00 1.00 H new ATOM 0 HA ALA A 131 10.295 -0.813 -6.593 1.00 1.00 H new ATOM 0 HB1 ALA A 131 10.748 -0.517 -9.047 1.00 1.00 H new ATOM 0 HB2 ALA A 131 9.013 -0.760 -8.729 1.00 1.00 H new ATOM 0 HB3 ALA A 131 9.636 0.873 -9.067 1.00 1.00 H new ATOM 2041 N ARG A 132 11.207 2.301 -7.251 1.00 1.00 N ATOM 2042 CA ARG A 132 12.334 3.224 -7.132 1.00 1.00 C ATOM 2043 C ARG A 132 12.545 3.646 -5.681 1.00 1.00 C ATOM 2044 O ARG A 132 13.579 4.215 -5.333 1.00 1.00 O ATOM 2045 CB ARG A 132 12.089 4.461 -8.004 1.00 1.00 C ATOM 2046 CG ARG A 132 10.934 5.283 -7.429 1.00 1.00 C ATOM 2047 CD ARG A 132 10.572 6.404 -8.402 1.00 1.00 C ATOM 2048 NE ARG A 132 9.527 7.244 -7.827 1.00 1.00 N ATOM 2049 CZ ARG A 132 9.079 8.320 -8.465 1.00 1.00 C ATOM 2050 NH1 ARG A 132 9.570 8.638 -9.631 1.00 1.00 N ATOM 2051 NH2 ARG A 132 8.147 9.055 -7.924 1.00 1.00 N ATOM 0 H ARG A 132 10.346 2.721 -7.603 1.00 1.00 H new ATOM 0 HA ARG A 132 13.233 2.711 -7.473 1.00 1.00 H new ATOM 0 HB2 ARG A 132 12.992 5.069 -8.050 1.00 1.00 H new ATOM 0 HB3 ARG A 132 11.858 4.157 -9.025 1.00 1.00 H new ATOM 0 HG2 ARG A 132 10.069 4.643 -7.257 1.00 1.00 H new ATOM 0 HG3 ARG A 132 11.217 5.702 -6.464 1.00 1.00 H new ATOM 0 HD2 ARG A 132 11.454 7.005 -8.622 1.00 1.00 H new ATOM 0 HD3 ARG A 132 10.231 5.981 -9.347 1.00 1.00 H new ATOM 0 HE ARG A 132 9.133 7.001 -6.918 1.00 1.00 H new ATOM 0 HH11 ARG A 132 10.298 8.061 -10.053 1.00 1.00 H new ATOM 0 HH12 ARG A 132 9.226 9.464 -10.121 1.00 1.00 H new ATOM 0 HH21 ARG A 132 7.764 8.803 -7.013 1.00 1.00 H new ATOM 0 HH22 ARG A 132 7.802 9.881 -8.412 1.00 1.00 H new ATOM 2065 N ALA A 133 11.548 3.380 -4.845 1.00 1.00 N ATOM 2066 CA ALA A 133 11.620 3.752 -3.437 1.00 1.00 C ATOM 2067 C ALA A 133 12.787 3.071 -2.729 1.00 1.00 C ATOM 2068 O ALA A 133 13.170 3.486 -1.637 1.00 1.00 O ATOM 2069 CB ALA A 133 10.313 3.384 -2.737 1.00 1.00 C ATOM 0 H ALA A 133 10.684 2.910 -5.116 1.00 1.00 H new ATOM 0 HA ALA A 133 11.780 4.829 -3.388 1.00 1.00 H new ATOM 0 HB1 ALA A 133 10.372 3.664 -1.685 1.00 1.00 H new ATOM 0 HB2 ALA A 133 9.486 3.915 -3.208 1.00 1.00 H new ATOM 0 HB3 ALA A 133 10.147 2.310 -2.818 1.00 1.00 H new ATOM 2075 N CYS A 134 13.374 2.051 -3.363 1.00 1.00 N ATOM 2076 CA CYS A 134 14.529 1.355 -2.776 1.00 1.00 C ATOM 2077 C CYS A 134 14.780 -0.014 -3.433 1.00 1.00 C ATOM 2078 O CYS A 134 15.928 -0.357 -3.716 1.00 1.00 O ATOM 2079 CB CYS A 134 14.360 1.186 -1.240 1.00 1.00 C ATOM 2080 SG CYS A 134 15.305 2.465 -0.365 1.00 1.00 S ATOM 0 H CYS A 134 13.076 1.691 -4.270 1.00 1.00 H new ATOM 0 HA CYS A 134 15.400 1.981 -2.969 1.00 1.00 H new ATOM 0 HB2 CYS A 134 13.306 1.255 -0.972 1.00 1.00 H new ATOM 0 HB3 CYS A 134 14.702 0.197 -0.935 1.00 1.00 H new ATOM 0 HG CYS A 134 14.683 3.603 -0.456 1.00 1.00 H new ATOM 2086 N PRO A 135 13.762 -0.808 -3.656 1.00 1.00 N ATOM 2087 CA PRO A 135 13.930 -2.166 -4.263 1.00 1.00 C ATOM 2088 C PRO A 135 14.700 -2.141 -5.582 1.00 1.00 C ATOM 2089 O PRO A 135 15.638 -2.917 -5.756 1.00 1.00 O ATOM 2090 CB PRO A 135 12.489 -2.657 -4.473 1.00 1.00 C ATOM 2091 CG PRO A 135 11.665 -1.872 -3.502 1.00 1.00 C ATOM 2092 CD PRO A 135 12.352 -0.514 -3.367 1.00 1.00 C ATOM 0 HA PRO A 135 14.520 -2.819 -3.620 1.00 1.00 H new ATOM 0 HB2 PRO A 135 12.160 -2.486 -5.498 1.00 1.00 H new ATOM 0 HB3 PRO A 135 12.406 -3.728 -4.286 1.00 1.00 H new ATOM 0 HG2 PRO A 135 10.642 -1.758 -3.861 1.00 1.00 H new ATOM 0 HG3 PRO A 135 11.610 -2.379 -2.538 1.00 1.00 H new ATOM 0 HD2 PRO A 135 11.943 0.213 -4.068 1.00 1.00 H new ATOM 0 HD3 PRO A 135 12.226 -0.099 -2.367 1.00 1.00 H new ATOM 2232 N GLU A 145 16.024 2.535 6.707 1.00 1.00 N ATOM 2233 CA GLU A 145 15.685 3.509 7.736 1.00 1.00 C ATOM 2234 C GLU A 145 14.204 3.406 8.088 1.00 1.00 C ATOM 2235 O GLU A 145 13.356 3.938 7.376 1.00 1.00 O ATOM 2236 CB GLU A 145 15.978 4.926 7.233 1.00 1.00 C ATOM 2237 CG GLU A 145 17.482 5.099 7.017 1.00 1.00 C ATOM 2238 CD GLU A 145 17.768 6.497 6.483 1.00 1.00 C ATOM 2239 OE1 GLU A 145 16.819 7.239 6.288 1.00 1.00 O ATOM 2240 OE2 GLU A 145 18.931 6.807 6.279 1.00 1.00 O ATOM 0 HA GLU A 145 16.287 3.301 8.621 1.00 1.00 H new ATOM 0 HB2 GLU A 145 15.444 5.108 6.300 1.00 1.00 H new ATOM 0 HB3 GLU A 145 15.618 5.659 7.955 1.00 1.00 H new ATOM 0 HG2 GLU A 145 18.014 4.942 7.955 1.00 1.00 H new ATOM 0 HG3 GLU A 145 17.847 4.350 6.315 1.00 1.00 H new ATOM 2247 N PHE A 146 13.892 2.716 9.184 1.00 1.00 N ATOM 2248 CA PHE A 146 12.498 2.550 9.615 1.00 1.00 C ATOM 2249 C PHE A 146 12.237 3.336 10.898 1.00 1.00 C ATOM 2250 O PHE A 146 11.102 3.453 11.345 1.00 1.00 O ATOM 2251 CB PHE A 146 12.210 1.061 9.850 1.00 1.00 C ATOM 2252 CG PHE A 146 13.438 0.402 10.434 1.00 1.00 C ATOM 2253 CD1 PHE A 146 14.471 -0.023 9.592 1.00 1.00 C ATOM 2254 CD2 PHE A 146 13.544 0.220 11.819 1.00 1.00 C ATOM 2255 CE1 PHE A 146 15.611 -0.632 10.134 1.00 1.00 C ATOM 2256 CE2 PHE A 146 14.682 -0.387 12.360 1.00 1.00 C ATOM 2257 CZ PHE A 146 15.716 -0.812 11.517 1.00 1.00 C ATOM 0 H PHE A 146 14.578 2.264 9.789 1.00 1.00 H new ATOM 0 HA PHE A 146 11.839 2.932 8.835 1.00 1.00 H new ATOM 0 HB2 PHE A 146 11.364 0.945 10.527 1.00 1.00 H new ATOM 0 HB3 PHE A 146 11.936 0.579 8.912 1.00 1.00 H new ATOM 0 HD1 PHE A 146 14.390 0.118 8.524 1.00 1.00 H new ATOM 0 HD2 PHE A 146 12.747 0.549 12.469 1.00 1.00 H new ATOM 0 HE1 PHE A 146 16.408 -0.962 9.484 1.00 1.00 H new ATOM 0 HE2 PHE A 146 14.763 -0.528 13.428 1.00 1.00 H new ATOM 0 HZ PHE A 146 16.595 -1.279 11.935 1.00 1.00 H new ATOM 2267 N GLU A 147 13.306 3.845 11.492 1.00 1.00 N ATOM 2268 CA GLU A 147 13.208 4.596 12.743 1.00 1.00 C ATOM 2269 C GLU A 147 12.365 5.867 12.593 1.00 1.00 C ATOM 2270 O GLU A 147 11.721 6.300 13.549 1.00 1.00 O ATOM 2271 CB GLU A 147 14.613 4.965 13.222 1.00 1.00 C ATOM 2272 CG GLU A 147 14.535 5.664 14.581 1.00 1.00 C ATOM 2273 CD GLU A 147 15.942 5.946 15.096 1.00 1.00 C ATOM 2274 OE1 GLU A 147 16.872 5.828 14.315 1.00 1.00 O ATOM 2275 OE2 GLU A 147 16.069 6.268 16.265 1.00 1.00 O ATOM 0 H GLU A 147 14.255 3.753 11.130 1.00 1.00 H new ATOM 0 HA GLU A 147 12.710 3.959 13.475 1.00 1.00 H new ATOM 0 HB2 GLU A 147 15.227 4.068 13.300 1.00 1.00 H new ATOM 0 HB3 GLU A 147 15.094 5.619 12.495 1.00 1.00 H new ATOM 0 HG2 GLU A 147 13.977 6.596 14.490 1.00 1.00 H new ATOM 0 HG3 GLU A 147 13.996 5.038 15.292 1.00 1.00 H new ATOM 2282 N TRP A 148 12.386 6.480 11.413 1.00 1.00 N ATOM 2283 CA TRP A 148 11.630 7.713 11.201 1.00 1.00 C ATOM 2284 C TRP A 148 10.122 7.463 11.256 1.00 1.00 C ATOM 2285 O TRP A 148 9.350 8.372 11.564 1.00 1.00 O ATOM 2286 CB TRP A 148 12.008 8.342 9.858 1.00 1.00 C ATOM 2287 CG TRP A 148 11.668 7.413 8.741 1.00 1.00 C ATOM 2288 CD1 TRP A 148 12.443 6.390 8.318 1.00 1.00 C ATOM 2289 CD2 TRP A 148 10.485 7.411 7.889 1.00 1.00 C ATOM 2290 NE1 TRP A 148 11.811 5.760 7.260 1.00 1.00 N ATOM 2291 CE2 TRP A 148 10.602 6.352 6.960 1.00 1.00 C ATOM 2292 CE3 TRP A 148 9.335 8.218 7.834 1.00 1.00 C ATOM 2293 CZ2 TRP A 148 9.614 6.100 6.009 1.00 1.00 C ATOM 2294 CZ3 TRP A 148 8.336 7.968 6.878 1.00 1.00 C ATOM 2295 CH2 TRP A 148 8.476 6.912 5.967 1.00 1.00 C ATOM 0 H TRP A 148 12.908 6.151 10.601 1.00 1.00 H new ATOM 0 HA TRP A 148 11.886 8.402 12.006 1.00 1.00 H new ATOM 0 HB2 TRP A 148 11.480 9.287 9.729 1.00 1.00 H new ATOM 0 HB3 TRP A 148 13.074 8.568 9.841 1.00 1.00 H new ATOM 0 HD1 TRP A 148 13.398 6.110 8.737 1.00 1.00 H new ATOM 0 HE1 TRP A 148 12.193 4.956 6.763 1.00 1.00 H new ATOM 0 HE3 TRP A 148 9.219 9.035 8.531 1.00 1.00 H new ATOM 0 HZ2 TRP A 148 9.727 5.284 5.310 1.00 1.00 H new ATOM 0 HZ3 TRP A 148 7.456 8.593 6.845 1.00 1.00 H new ATOM 0 HH2 TRP A 148 7.706 6.726 5.233 1.00 1.00 H new ATOM 2306 N LEU A 149 9.705 6.231 10.971 1.00 1.00 N ATOM 2307 CA LEU A 149 8.285 5.888 11.013 1.00 1.00 C ATOM 2308 C LEU A 149 7.755 6.003 12.441 1.00 1.00 C ATOM 2309 O LEU A 149 6.591 6.335 12.655 1.00 1.00 O ATOM 2310 CB LEU A 149 8.061 4.467 10.448 1.00 1.00 C ATOM 2311 CG LEU A 149 8.212 3.393 11.558 1.00 1.00 C ATOM 2312 CD1 LEU A 149 6.882 3.225 12.343 1.00 1.00 C ATOM 2313 CD2 LEU A 149 8.615 2.046 10.932 1.00 1.00 C ATOM 0 H LEU A 149 10.322 5.461 10.711 1.00 1.00 H new ATOM 0 HA LEU A 149 7.732 6.591 10.390 1.00 1.00 H new ATOM 0 HB2 LEU A 149 7.067 4.401 10.007 1.00 1.00 H new ATOM 0 HB3 LEU A 149 8.778 4.273 9.650 1.00 1.00 H new ATOM 0 HG LEU A 149 8.988 3.720 12.250 1.00 1.00 H new ATOM 0 HD11 LEU A 149 7.009 2.468 13.116 1.00 1.00 H new ATOM 0 HD12 LEU A 149 6.610 4.174 12.806 1.00 1.00 H new ATOM 0 HD13 LEU A 149 6.092 2.916 11.659 1.00 1.00 H new ATOM 0 HD21 LEU A 149 8.719 1.297 11.717 1.00 1.00 H new ATOM 0 HD22 LEU A 149 7.847 1.728 10.227 1.00 1.00 H new ATOM 0 HD23 LEU A 149 9.565 2.158 10.409 1.00 1.00 H new ATOM 2325 N SER A 150 8.618 5.718 13.409 1.00 1.00 N ATOM 2326 CA SER A 150 8.227 5.779 14.808 1.00 1.00 C ATOM 2327 C SER A 150 7.555 7.111 15.096 1.00 1.00 C ATOM 2328 O SER A 150 6.586 7.180 15.850 1.00 1.00 O ATOM 2329 CB SER A 150 9.459 5.619 15.697 1.00 1.00 C ATOM 2330 OG SER A 150 9.997 4.313 15.524 1.00 1.00 O ATOM 0 H SER A 150 9.588 5.444 13.250 1.00 1.00 H new ATOM 0 HA SER A 150 7.526 4.971 15.019 1.00 1.00 H new ATOM 0 HB2 SER A 150 10.207 6.370 15.441 1.00 1.00 H new ATOM 0 HB3 SER A 150 9.191 5.779 16.741 1.00 1.00 H new ATOM 0 HG SER A 150 10.789 4.208 16.092 1.00 1.00 H new ATOM 2336 N ARG A 151 8.065 8.163 14.472 1.00 1.00 N ATOM 2337 CA ARG A 151 7.493 9.487 14.652 1.00 1.00 C ATOM 2338 C ARG A 151 6.056 9.472 14.175 1.00 1.00 C ATOM 2339 O ARG A 151 5.171 10.075 14.782 1.00 1.00 O ATOM 2340 CB ARG A 151 8.291 10.495 13.832 1.00 1.00 C ATOM 2341 CG ARG A 151 9.684 10.660 14.438 1.00 1.00 C ATOM 2342 CD ARG A 151 10.514 11.594 13.557 1.00 1.00 C ATOM 2343 NE ARG A 151 11.851 11.745 14.116 1.00 1.00 N ATOM 2344 CZ ARG A 151 12.796 12.415 13.467 1.00 1.00 C ATOM 2345 NH1 ARG A 151 12.537 12.964 12.312 1.00 1.00 N ATOM 2346 NH2 ARG A 151 13.987 12.523 13.988 1.00 1.00 N ATOM 0 H ARG A 151 8.867 8.126 13.842 1.00 1.00 H new ATOM 0 HA ARG A 151 7.528 9.767 15.705 1.00 1.00 H new ATOM 0 HB2 ARG A 151 8.371 10.157 12.799 1.00 1.00 H new ATOM 0 HB3 ARG A 151 7.775 11.455 13.815 1.00 1.00 H new ATOM 0 HG2 ARG A 151 9.608 11.066 15.447 1.00 1.00 H new ATOM 0 HG3 ARG A 151 10.174 9.690 14.521 1.00 1.00 H new ATOM 0 HD2 ARG A 151 10.577 11.193 12.545 1.00 1.00 H new ATOM 0 HD3 ARG A 151 10.028 12.567 13.485 1.00 1.00 H new ATOM 0 HE ARG A 151 12.065 11.329 15.022 1.00 1.00 H new ATOM 0 HH11 ARG A 151 11.606 12.879 11.904 1.00 1.00 H new ATOM 0 HH12 ARG A 151 13.266 13.478 11.817 1.00 1.00 H new ATOM 0 HH21 ARG A 151 14.190 12.094 14.891 1.00 1.00 H new ATOM 0 HH22 ARG A 151 14.716 13.037 13.493 1.00 1.00 H new ATOM 2360 N HIS A 152 5.836 8.749 13.087 1.00 1.00 N ATOM 2361 CA HIS A 152 4.508 8.619 12.526 1.00 1.00 C ATOM 2362 C HIS A 152 3.721 7.594 13.326 1.00 1.00 C ATOM 2363 O HIS A 152 4.283 6.618 13.826 1.00 1.00 O ATOM 2364 CB HIS A 152 4.601 8.173 11.065 1.00 1.00 C ATOM 2365 CG HIS A 152 5.224 9.268 10.246 1.00 1.00 C ATOM 2366 ND1 HIS A 152 4.475 10.293 9.693 1.00 1.00 N ATOM 2367 CD2 HIS A 152 6.525 9.515 9.880 1.00 1.00 C ATOM 2368 CE1 HIS A 152 5.319 11.103 9.030 1.00 1.00 C ATOM 2369 NE2 HIS A 152 6.582 10.675 9.112 1.00 1.00 N ATOM 0 H HIS A 152 6.562 8.245 12.578 1.00 1.00 H new ATOM 0 HA HIS A 152 4.001 9.583 12.571 1.00 1.00 H new ATOM 0 HB2 HIS A 152 5.197 7.263 10.988 1.00 1.00 H new ATOM 0 HB3 HIS A 152 3.608 7.937 10.682 1.00 1.00 H new ATOM 0 HD2 HIS A 152 7.374 8.903 10.147 1.00 1.00 H new ATOM 0 HE1 HIS A 152 5.013 11.991 8.496 1.00 1.00 H new ATOM 0 HE2 HIS A 152 7.410 11.106 8.700 1.00 1.00 H new ATOM 2377 N THR A 153 2.418 7.810 13.430 1.00 1.00 N ATOM 2378 CA THR A 153 1.544 6.892 14.156 1.00 1.00 C ATOM 2379 C THR A 153 0.605 6.209 13.181 1.00 1.00 C ATOM 2380 O THR A 153 0.843 6.215 11.973 1.00 1.00 O ATOM 2381 CB THR A 153 0.734 7.650 15.213 1.00 1.00 C ATOM 2382 OG1 THR A 153 0.037 6.715 16.027 1.00 1.00 O ATOM 2383 CG2 THR A 153 -0.272 8.585 14.538 1.00 1.00 C ATOM 0 H THR A 153 1.940 8.613 13.021 1.00 1.00 H new ATOM 0 HA THR A 153 2.156 6.143 14.658 1.00 1.00 H new ATOM 0 HB THR A 153 1.413 8.243 15.826 1.00 1.00 H new ATOM 0 HG1 THR A 153 -0.481 7.195 16.706 1.00 1.00 H new ATOM 0 HG21 THR A 153 -0.841 9.118 15.300 1.00 1.00 H new ATOM 0 HG22 THR A 153 0.260 9.303 13.914 1.00 1.00 H new ATOM 0 HG23 THR A 153 -0.953 8.001 13.919 1.00 1.00 H new ATOM 2391 N CYS A 154 -0.465 5.624 13.705 1.00 1.00 N ATOM 2392 CA CYS A 154 -1.444 4.938 12.865 1.00 1.00 C ATOM 2393 C CYS A 154 -2.722 5.763 12.773 1.00 1.00 C ATOM 2394 O CYS A 154 -2.689 6.928 12.379 1.00 1.00 O ATOM 2395 CB CYS A 154 -1.753 3.557 13.447 1.00 1.00 C ATOM 2396 SG CYS A 154 -0.207 2.648 13.692 1.00 1.00 S ATOM 0 H CYS A 154 -0.678 5.610 14.702 1.00 1.00 H new ATOM 0 HA CYS A 154 -1.030 4.817 11.864 1.00 1.00 H new ATOM 0 HB2 CYS A 154 -2.281 3.660 14.395 1.00 1.00 H new ATOM 0 HB3 CYS A 154 -2.409 3.005 12.774 1.00 1.00 H new ATOM 0 HG CYS A 154 -0.467 1.475 14.189 1.00 1.00 H new