USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 34 MET CE :methyl -128:sc= -4.03! (180deg=-6.18!) USER MOD Set 1.2: A 59 TYR OH : rot -10:sc= -4.07! USER MOD Set 2.1: A 29 SER OG : rot -126:sc= 0.371 USER MOD Set 2.2: A 93 ASN : amide:sc= 0.0214 K(o=0.39,f=-2!) USER MOD Single : A 15 GLN : amide:sc= -0.903 X(o=-0.9,f=-0.9) USER MOD Single : A 18 ASN : amide:sc= -0.377 K(o=-0.38,f=-1.9) USER MOD Single : A 20 SER OG : rot 180:sc=-0.00611 USER MOD Single : A 21 SER OG : rot 174:sc= 1.85 USER MOD Single : A 23 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0105) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -47:sc= 1.21 USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 0.00501 (180deg=-0.0962) USER MOD Single : A 66 TYR OH : rot -157:sc= 1.18 USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0555) USER MOD Single : A 69 ASN : amide:sc= 0.365 K(o=0.37,f=-4.3!) USER MOD Single : A 70 THR OG1 : rot -84:sc= 0.91 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot -177:sc= 0.147 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -54:sc= 1.04 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= -0.154 (180deg=-0.825) USER MOD Single : A 99 SER OG : rot 160:sc= -0.0315 USER MOD Single : A 106 LYS NZ :NH3+ 177:sc= -2.75 (180deg=-2.82) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0056 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00235 USER MOD Single : A 110 THR OG1 : rot -137:sc= 1.2 USER MOD Single : A 112 SER OG : rot 78:sc= 0.00824 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot 60:sc= -2.65! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -4.455 -5.146 -9.198 1.00 0.00 N ATOM 2 CA VAL A 14 -5.672 -4.353 -8.915 1.00 0.00 C ATOM 3 C VAL A 14 -6.280 -3.419 -9.977 1.00 0.00 C ATOM 4 O VAL A 14 -7.507 -3.358 -10.118 1.00 0.00 O ATOM 5 CB VAL A 14 -5.493 -3.686 -7.534 1.00 0.00 C ATOM 6 CG1 VAL A 14 -4.640 -2.413 -7.548 1.00 0.00 C ATOM 7 CG2 VAL A 14 -6.857 -3.477 -6.871 1.00 0.00 C ATOM 0 HA VAL A 14 -6.472 -5.093 -8.935 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.911 -4.378 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.568 -2.012 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.642 -2.648 -7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.103 -1.672 -8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.720 -3.006 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.473 -2.836 -7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.350 -4.440 -6.742 1.00 0.00 H new ATOM 17 N GLN A 15 -5.421 -2.677 -10.674 1.00 0.00 N ATOM 18 CA GLN A 15 -5.739 -1.590 -11.624 1.00 0.00 C ATOM 19 C GLN A 15 -6.574 -0.529 -10.903 1.00 0.00 C ATOM 20 O GLN A 15 -7.718 -0.220 -11.240 1.00 0.00 O ATOM 21 CB GLN A 15 -6.405 -2.121 -12.910 1.00 0.00 C ATOM 22 CG GLN A 15 -5.457 -2.989 -13.748 1.00 0.00 C ATOM 23 CD GLN A 15 -5.075 -4.324 -13.085 1.00 0.00 C ATOM 24 OE1 GLN A 15 -3.919 -4.610 -12.793 1.00 0.00 O ATOM 25 NE2 GLN A 15 -6.053 -5.117 -12.720 1.00 0.00 N ATOM 0 H GLN A 15 -4.415 -2.822 -10.591 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.815 -1.122 -11.963 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.287 -2.704 -12.644 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.749 -1.279 -13.511 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.926 -3.195 -14.710 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.548 -2.423 -13.951 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.016 -4.883 -12.961 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.851 -5.968 -12.195 1.00 0.00 H new ATOM 34 N ASP A 16 -5.888 0.035 -9.901 1.00 0.00 N ATOM 35 CA ASP A 16 -6.405 0.988 -8.901 1.00 0.00 C ATOM 36 C ASP A 16 -7.328 0.304 -7.891 1.00 0.00 C ATOM 37 O ASP A 16 -8.310 -0.359 -8.233 1.00 0.00 O ATOM 38 CB ASP A 16 -7.147 2.157 -9.543 1.00 0.00 C ATOM 39 CG ASP A 16 -6.668 3.502 -9.014 1.00 0.00 C ATOM 40 OD1 ASP A 16 -6.393 3.575 -7.791 1.00 0.00 O ATOM 41 OD2 ASP A 16 -6.551 4.401 -9.864 1.00 0.00 O ATOM 0 H ASP A 16 -4.900 -0.171 -9.755 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.529 1.376 -8.381 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.009 2.123 -10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.216 2.054 -9.355 1.00 0.00 H new ATOM 47 N VAL A 17 -6.981 0.494 -6.623 1.00 0.00 N ATOM 48 CA VAL A 17 -7.813 -0.063 -5.543 1.00 0.00 C ATOM 49 C VAL A 17 -8.936 0.915 -5.206 1.00 0.00 C ATOM 50 O VAL A 17 -8.715 2.037 -4.739 1.00 0.00 O ATOM 51 CB VAL A 17 -7.069 -0.483 -4.265 1.00 0.00 C ATOM 52 CG1 VAL A 17 -7.830 -1.670 -3.668 1.00 0.00 C ATOM 53 CG2 VAL A 17 -5.629 -0.953 -4.463 1.00 0.00 C ATOM 0 H VAL A 17 -6.158 1.011 -6.315 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.206 -0.998 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.027 0.407 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.332 -2.000 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.851 -1.368 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.849 -2.489 -4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.199 -1.225 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.617 -1.820 -5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.042 -0.150 -4.909 1.00 0.00 H new ATOM 63 N ASN A 18 -10.125 0.430 -5.515 1.00 0.00 N ATOM 64 CA ASN A 18 -11.410 1.125 -5.366 1.00 0.00 C ATOM 65 C ASN A 18 -12.284 0.199 -4.523 1.00 0.00 C ATOM 66 O ASN A 18 -12.038 -1.005 -4.473 1.00 0.00 O ATOM 67 CB ASN A 18 -12.079 1.257 -6.743 1.00 0.00 C ATOM 68 CG ASN A 18 -11.175 1.897 -7.800 1.00 0.00 C ATOM 69 OD1 ASN A 18 -10.511 2.891 -7.581 1.00 0.00 O ATOM 70 ND2 ASN A 18 -10.996 1.236 -8.920 1.00 0.00 N ATOM 0 H ASN A 18 -10.236 -0.509 -5.898 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.278 2.112 -4.923 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.384 0.269 -7.087 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.986 1.853 -6.642 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.304 1.558 -9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.548 0.401 -9.113 1.00 0.00 H new ATOM 77 N ASP A 19 -13.377 0.737 -3.994 1.00 0.00 N ATOM 78 CA ASP A 19 -14.348 -0.068 -3.205 1.00 0.00 C ATOM 79 C ASP A 19 -14.760 -1.389 -3.878 1.00 0.00 C ATOM 80 O ASP A 19 -14.711 -2.431 -3.241 1.00 0.00 O ATOM 81 CB ASP A 19 -15.576 0.768 -2.829 1.00 0.00 C ATOM 82 CG ASP A 19 -15.272 1.735 -1.674 1.00 0.00 C ATOM 83 OD1 ASP A 19 -14.841 2.865 -1.976 1.00 0.00 O ATOM 84 OD2 ASP A 19 -15.441 1.320 -0.512 1.00 0.00 O ATOM 0 H ASP A 19 -13.627 1.722 -4.087 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.823 -0.356 -2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.912 1.333 -3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.394 0.106 -2.544 1.00 0.00 H new ATOM 90 N SER A 20 -14.928 -1.339 -5.203 1.00 0.00 N ATOM 91 CA SER A 20 -15.194 -2.520 -6.053 1.00 0.00 C ATOM 92 C SER A 20 -14.037 -3.539 -6.096 1.00 0.00 C ATOM 93 O SER A 20 -14.203 -4.690 -5.710 1.00 0.00 O ATOM 94 CB SER A 20 -15.528 -2.048 -7.474 1.00 0.00 C ATOM 95 OG SER A 20 -14.503 -1.174 -7.959 1.00 0.00 O ATOM 0 H SER A 20 -14.884 -0.467 -5.730 1.00 0.00 H new ATOM 0 HA SER A 20 -16.036 -3.047 -5.604 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.626 -2.908 -8.137 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.488 -1.532 -7.477 1.00 0.00 H new ATOM 0 HG SER A 20 -14.726 -0.881 -8.867 1.00 0.00 H new ATOM 101 N SER A 21 -12.853 -3.075 -6.480 1.00 0.00 N ATOM 102 CA SER A 21 -11.635 -3.916 -6.568 1.00 0.00 C ATOM 103 C SER A 21 -11.054 -4.396 -5.235 1.00 0.00 C ATOM 104 O SER A 21 -10.438 -5.455 -5.203 1.00 0.00 O ATOM 105 CB SER A 21 -10.514 -3.280 -7.386 1.00 0.00 C ATOM 106 OG SER A 21 -10.405 -1.870 -7.124 1.00 0.00 O ATOM 0 H SER A 21 -12.696 -2.102 -6.743 1.00 0.00 H new ATOM 0 HA SER A 21 -12.019 -4.796 -7.085 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.568 -3.769 -7.151 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.701 -3.440 -8.448 1.00 0.00 H new ATOM 0 HG SER A 21 -9.620 -1.511 -7.587 1.00 0.00 H new ATOM 112 N TRP A 22 -11.339 -3.674 -4.164 1.00 0.00 N ATOM 113 CA TRP A 22 -10.915 -4.034 -2.795 1.00 0.00 C ATOM 114 C TRP A 22 -11.319 -5.465 -2.423 1.00 0.00 C ATOM 115 O TRP A 22 -10.483 -6.319 -2.181 1.00 0.00 O ATOM 116 CB TRP A 22 -11.523 -3.011 -1.843 1.00 0.00 C ATOM 117 CG TRP A 22 -11.064 -3.225 -0.403 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.732 -3.897 0.525 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.893 -2.766 0.174 1.00 0.00 C ATOM 120 NE1 TRP A 22 -11.058 -3.873 1.676 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.916 -3.215 1.503 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.790 -2.039 -0.327 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.830 -2.953 2.363 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.699 -1.799 0.529 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.716 -2.247 1.866 1.00 0.00 C ATOM 0 H TRP A 22 -11.877 -2.809 -4.207 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.827 -4.013 -2.727 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.247 -2.007 -2.166 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.610 -3.074 -1.890 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.680 -4.390 0.372 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.370 -4.294 2.551 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.784 -1.676 -1.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.851 -3.289 3.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.837 -1.265 0.157 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.873 -2.049 2.511 1.00 0.00 H new ATOM 136 N LYS A 23 -12.590 -5.778 -2.676 1.00 0.00 N ATOM 137 CA LYS A 23 -13.142 -7.070 -2.261 1.00 0.00 C ATOM 138 C LYS A 23 -12.612 -8.304 -2.949 1.00 0.00 C ATOM 139 O LYS A 23 -12.168 -9.230 -2.284 1.00 0.00 O ATOM 140 CB LYS A 23 -14.656 -7.015 -2.311 1.00 0.00 C ATOM 141 CG LYS A 23 -14.948 -6.153 -1.102 1.00 0.00 C ATOM 142 CD LYS A 23 -16.401 -5.768 -1.125 1.00 0.00 C ATOM 143 CE LYS A 23 -16.598 -4.815 0.029 1.00 0.00 C ATOM 144 NZ LYS A 23 -17.943 -4.350 -0.292 1.00 0.00 N ATOM 0 H LYS A 23 -13.249 -5.166 -3.158 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.784 -7.203 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.023 -6.569 -3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.108 -8.004 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.715 -6.696 -0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.321 -5.262 -1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.664 -5.295 -2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.039 -6.646 -1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.543 -5.310 0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.864 -4.009 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.279 -3.714 0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.927 -3.839 -1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.584 -5.166 -0.367 1.00 0.00 H new ATOM 158 N GLU A 24 -12.429 -8.152 -4.252 1.00 0.00 N ATOM 159 CA GLU A 24 -11.875 -9.216 -5.105 1.00 0.00 C ATOM 160 C GLU A 24 -10.341 -9.306 -5.068 1.00 0.00 C ATOM 161 O GLU A 24 -9.818 -10.354 -4.727 1.00 0.00 O ATOM 162 CB GLU A 24 -12.422 -9.109 -6.530 1.00 0.00 C ATOM 163 CG GLU A 24 -12.349 -7.689 -7.087 1.00 0.00 C ATOM 164 CD GLU A 24 -12.889 -7.532 -8.517 1.00 0.00 C ATOM 165 OE1 GLU A 24 -12.724 -6.407 -9.037 1.00 0.00 O ATOM 166 OE2 GLU A 24 -13.510 -8.478 -9.048 1.00 0.00 O ATOM 0 H GLU A 24 -12.656 -7.294 -4.755 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.215 -10.162 -4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.860 -9.779 -7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.458 -9.447 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.908 -7.025 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.311 -7.358 -7.067 1.00 0.00 H new ATOM 174 N PHE A 25 -9.641 -8.174 -5.182 1.00 0.00 N ATOM 175 CA PHE A 25 -8.163 -8.182 -5.217 1.00 0.00 C ATOM 176 C PHE A 25 -7.425 -8.177 -3.878 1.00 0.00 C ATOM 177 O PHE A 25 -6.396 -8.847 -3.725 1.00 0.00 O ATOM 178 CB PHE A 25 -7.608 -7.046 -6.072 1.00 0.00 C ATOM 179 CG PHE A 25 -7.967 -7.178 -7.553 1.00 0.00 C ATOM 180 CD1 PHE A 25 -7.151 -7.955 -8.398 1.00 0.00 C ATOM 181 CD2 PHE A 25 -9.064 -6.449 -8.074 1.00 0.00 C ATOM 182 CE1 PHE A 25 -7.431 -8.006 -9.777 1.00 0.00 C ATOM 183 CE2 PHE A 25 -9.343 -6.490 -9.454 1.00 0.00 C ATOM 184 CZ PHE A 25 -8.529 -7.277 -10.298 1.00 0.00 C ATOM 0 H PHE A 25 -10.061 -7.247 -5.251 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.964 -9.159 -5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.989 -6.097 -5.695 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.523 -7.018 -5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.317 -8.507 -7.991 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.686 -5.862 -7.414 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.812 -8.598 -10.435 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.169 -5.927 -9.862 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.746 -7.324 -11.355 1.00 0.00 H new ATOM 194 N VAL A 26 -8.001 -7.493 -2.907 1.00 0.00 N ATOM 195 CA VAL A 26 -7.371 -7.278 -1.581 1.00 0.00 C ATOM 196 C VAL A 26 -7.891 -8.310 -0.569 1.00 0.00 C ATOM 197 O VAL A 26 -7.147 -8.803 0.271 1.00 0.00 O ATOM 198 CB VAL A 26 -7.545 -5.834 -1.060 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.884 -5.609 0.307 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.979 -4.818 -2.055 1.00 0.00 C ATOM 0 H VAL A 26 -8.921 -7.063 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.298 -7.422 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.619 -5.688 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.040 -4.577 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.327 -6.282 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.815 -5.808 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.115 -3.810 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.916 -5.009 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.502 -4.911 -3.007 1.00 0.00 H new ATOM 210 N LEU A 27 -9.201 -8.532 -0.624 1.00 0.00 N ATOM 211 CA LEU A 27 -9.820 -9.508 0.298 1.00 0.00 C ATOM 212 C LEU A 27 -9.927 -10.933 -0.258 1.00 0.00 C ATOM 213 O LEU A 27 -9.945 -11.875 0.535 1.00 0.00 O ATOM 214 CB LEU A 27 -11.198 -9.026 0.759 1.00 0.00 C ATOM 215 CG LEU A 27 -11.177 -7.678 1.486 1.00 0.00 C ATOM 216 CD1 LEU A 27 -12.620 -7.274 1.810 1.00 0.00 C ATOM 217 CD2 LEU A 27 -10.364 -7.710 2.785 1.00 0.00 C ATOM 0 H LEU A 27 -9.844 -8.073 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.138 -9.565 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.853 -8.949 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.631 -9.777 1.420 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.697 -6.957 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.622 -6.315 2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.190 -7.187 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.076 -8.032 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.387 -6.726 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.794 -8.446 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.332 -7.981 2.562 1.00 0.00 H new ATOM 229 N GLU A 28 -9.942 -11.089 -1.578 1.00 0.00 N ATOM 230 CA GLU A 28 -10.281 -12.419 -2.143 1.00 0.00 C ATOM 231 C GLU A 28 -9.310 -13.150 -3.085 1.00 0.00 C ATOM 232 O GLU A 28 -9.507 -14.338 -3.299 1.00 0.00 O ATOM 233 CB GLU A 28 -11.652 -12.329 -2.819 1.00 0.00 C ATOM 234 CG GLU A 28 -12.821 -12.174 -1.842 1.00 0.00 C ATOM 235 CD GLU A 28 -14.150 -12.005 -2.573 1.00 0.00 C ATOM 236 OE1 GLU A 28 -14.400 -10.898 -3.094 1.00 0.00 O ATOM 237 OE2 GLU A 28 -14.952 -12.978 -2.536 1.00 0.00 O ATOM 0 H GLU A 28 -9.736 -10.359 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.234 -13.051 -1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.652 -11.483 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.809 -13.226 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.871 -13.049 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.647 -11.311 -1.200 1.00 0.00 H new ATOM 245 N SER A 29 -8.144 -12.558 -3.360 1.00 0.00 N ATOM 246 CA SER A 29 -7.233 -13.030 -4.422 1.00 0.00 C ATOM 247 C SER A 29 -6.483 -14.347 -4.163 1.00 0.00 C ATOM 248 O SER A 29 -5.684 -14.784 -4.988 1.00 0.00 O ATOM 249 CB SER A 29 -6.222 -11.910 -4.655 1.00 0.00 C ATOM 250 OG SER A 29 -5.615 -11.627 -3.386 1.00 0.00 O ATOM 0 H SER A 29 -7.800 -11.740 -2.857 1.00 0.00 H new ATOM 0 HA SER A 29 -7.858 -13.261 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.470 -12.214 -5.384 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.713 -11.023 -5.055 1.00 0.00 H new ATOM 0 HG SER A 29 -5.699 -10.671 -3.189 1.00 0.00 H new ATOM 256 N GLU A 30 -6.508 -14.710 -2.883 1.00 0.00 N ATOM 257 CA GLU A 30 -5.903 -15.923 -2.280 1.00 0.00 C ATOM 258 C GLU A 30 -4.411 -15.747 -1.949 1.00 0.00 C ATOM 259 O GLU A 30 -3.828 -16.509 -1.176 1.00 0.00 O ATOM 260 CB GLU A 30 -6.150 -17.179 -3.131 1.00 0.00 C ATOM 261 CG GLU A 30 -6.373 -18.416 -2.264 1.00 0.00 C ATOM 262 CD GLU A 30 -6.633 -19.643 -3.142 1.00 0.00 C ATOM 263 OE1 GLU A 30 -5.681 -20.416 -3.349 1.00 0.00 O ATOM 264 OE2 GLU A 30 -7.775 -19.760 -3.634 1.00 0.00 O ATOM 0 H GLU A 30 -6.979 -14.136 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.415 -16.070 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.019 -17.021 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.297 -17.345 -3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.500 -18.589 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.219 -18.253 -1.597 1.00 0.00 H new ATOM 272 N VAL A 31 -3.867 -14.648 -2.452 1.00 0.00 N ATOM 273 CA VAL A 31 -2.467 -14.221 -2.267 1.00 0.00 C ATOM 274 C VAL A 31 -2.365 -13.145 -1.154 1.00 0.00 C ATOM 275 O VAL A 31 -3.206 -12.239 -1.136 1.00 0.00 O ATOM 276 CB VAL A 31 -1.903 -13.704 -3.610 1.00 0.00 C ATOM 277 CG1 VAL A 31 -1.884 -14.839 -4.636 1.00 0.00 C ATOM 278 CG2 VAL A 31 -2.665 -12.506 -4.200 1.00 0.00 C ATOM 0 H VAL A 31 -4.402 -13.996 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.868 -15.074 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.896 -13.351 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.486 -14.469 -5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.255 -15.650 -4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.898 -15.208 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.203 -12.208 -5.141 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.703 -12.787 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.631 -11.672 -3.499 1.00 0.00 H new ATOM 288 N PRO A 32 -1.365 -13.202 -0.254 1.00 0.00 N ATOM 289 CA PRO A 32 -1.145 -12.175 0.777 1.00 0.00 C ATOM 290 C PRO A 32 -1.064 -10.789 0.118 1.00 0.00 C ATOM 291 O PRO A 32 -0.621 -10.689 -1.025 1.00 0.00 O ATOM 292 CB PRO A 32 0.167 -12.552 1.449 1.00 0.00 C ATOM 293 CG PRO A 32 0.217 -14.069 1.272 1.00 0.00 C ATOM 294 CD PRO A 32 -0.382 -14.295 -0.113 1.00 0.00 C ATOM 0 HA PRO A 32 -1.955 -12.129 1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.018 -12.062 0.977 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.179 -12.267 2.501 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.238 -14.445 1.332 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.357 -14.581 2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.380 -14.250 -0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.857 -15.273 -0.189 1.00 0.00 H new ATOM 302 N VAL A 33 -1.513 -9.750 0.812 1.00 0.00 N ATOM 303 CA VAL A 33 -1.740 -8.434 0.199 1.00 0.00 C ATOM 304 C VAL A 33 -1.028 -7.284 0.932 1.00 0.00 C ATOM 305 O VAL A 33 -1.078 -7.190 2.163 1.00 0.00 O ATOM 306 CB VAL A 33 -3.269 -8.207 0.121 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.669 -6.803 -0.324 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.965 -9.218 -0.796 1.00 0.00 C ATOM 0 H VAL A 33 -1.730 -9.788 1.808 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.301 -8.432 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.602 -8.346 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.756 -6.726 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.272 -6.071 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.265 -6.607 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.036 -9.015 -0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.561 -9.133 -1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.794 -10.227 -0.421 1.00 0.00 H new ATOM 318 N MET A 34 -0.619 -6.335 0.109 1.00 0.00 N ATOM 319 CA MET A 34 0.000 -5.066 0.527 1.00 0.00 C ATOM 320 C MET A 34 -0.742 -3.913 -0.162 1.00 0.00 C ATOM 321 O MET A 34 -0.835 -3.861 -1.380 1.00 0.00 O ATOM 322 CB MET A 34 1.460 -5.098 0.102 1.00 0.00 C ATOM 323 CG MET A 34 2.171 -3.820 0.541 1.00 0.00 C ATOM 324 SD MET A 34 3.997 -3.921 0.520 1.00 0.00 S ATOM 325 CE MET A 34 4.264 -5.044 1.872 1.00 0.00 C ATOM 0 H MET A 34 -0.706 -6.418 -0.904 1.00 0.00 H new ATOM 0 HA MET A 34 -0.060 -4.926 1.606 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.954 -5.965 0.540 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.528 -5.206 -0.981 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.858 -3.003 -0.109 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.846 -3.567 1.550 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.984 -4.612 2.567 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.321 -5.221 2.389 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.651 -5.988 1.490 1.00 0.00 H new ATOM 335 N VAL A 35 -1.273 -3.000 0.652 1.00 0.00 N ATOM 336 CA VAL A 35 -2.001 -1.841 0.123 1.00 0.00 C ATOM 337 C VAL A 35 -1.455 -0.486 0.567 1.00 0.00 C ATOM 338 O VAL A 35 -1.509 -0.094 1.725 1.00 0.00 O ATOM 339 CB VAL A 35 -3.502 -1.930 0.335 1.00 0.00 C ATOM 340 CG1 VAL A 35 -4.102 -2.896 -0.675 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.911 -2.370 1.750 1.00 0.00 C ATOM 0 H VAL A 35 -1.215 -3.037 1.670 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.818 -1.894 -0.950 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.886 -0.919 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.179 -2.959 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.899 -2.539 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.658 -3.883 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.998 -2.409 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.499 -3.358 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.526 -1.656 2.478 1.00 0.00 H new ATOM 351 N ASP A 36 -0.943 0.188 -0.459 1.00 0.00 N ATOM 352 CA ASP A 36 -0.382 1.545 -0.404 1.00 0.00 C ATOM 353 C ASP A 36 -1.505 2.579 -0.532 1.00 0.00 C ATOM 354 O ASP A 36 -2.193 2.635 -1.552 1.00 0.00 O ATOM 355 CB ASP A 36 0.607 1.619 -1.575 1.00 0.00 C ATOM 356 CG ASP A 36 1.054 3.037 -1.917 1.00 0.00 C ATOM 357 OD1 ASP A 36 1.907 3.565 -1.178 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.502 3.586 -2.893 1.00 0.00 O ATOM 0 H ASP A 36 -0.904 -0.211 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 36 0.120 1.759 0.540 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.485 1.020 -1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.147 1.171 -2.456 1.00 0.00 H new ATOM 364 N PHE A 37 -1.685 3.366 0.526 1.00 0.00 N ATOM 365 CA PHE A 37 -2.665 4.465 0.529 1.00 0.00 C ATOM 366 C PHE A 37 -1.991 5.824 0.407 1.00 0.00 C ATOM 367 O PHE A 37 -1.138 6.177 1.222 1.00 0.00 O ATOM 368 CB PHE A 37 -3.469 4.501 1.838 1.00 0.00 C ATOM 369 CG PHE A 37 -4.507 3.390 2.030 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.169 2.022 1.930 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.805 3.798 2.399 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.140 1.044 2.208 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.785 2.821 2.682 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.446 1.453 2.582 1.00 0.00 C ATOM 0 H PHE A 37 -1.166 3.268 1.399 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.315 4.276 -0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.767 4.461 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.981 5.461 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.170 1.729 1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.048 4.848 2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.895 -0.005 2.138 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.783 3.116 2.972 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.195 0.705 2.794 1.00 0.00 H new ATOM 384 N TRP A 38 -2.463 6.607 -0.553 1.00 0.00 N ATOM 385 CA TRP A 38 -1.974 7.983 -0.766 1.00 0.00 C ATOM 386 C TRP A 38 -3.168 8.959 -0.708 1.00 0.00 C ATOM 387 O TRP A 38 -4.280 8.615 -1.097 1.00 0.00 O ATOM 388 CB TRP A 38 -1.189 8.072 -2.075 1.00 0.00 C ATOM 389 CG TRP A 38 -2.068 8.058 -3.327 1.00 0.00 C ATOM 390 CD1 TRP A 38 -2.617 6.960 -3.845 1.00 0.00 C ATOM 391 CD2 TRP A 38 -2.649 9.142 -3.958 1.00 0.00 C ATOM 392 NE1 TRP A 38 -3.485 7.296 -4.792 1.00 0.00 N ATOM 393 CE2 TRP A 38 -3.588 8.619 -4.857 1.00 0.00 C ATOM 394 CE3 TRP A 38 -2.590 10.538 -3.710 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -4.518 9.448 -5.509 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -3.522 11.369 -4.348 1.00 0.00 C ATOM 397 CH2 TRP A 38 -4.477 10.838 -5.248 1.00 0.00 C ATOM 0 H TRP A 38 -3.190 6.319 -1.207 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.280 8.267 0.025 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.595 8.986 -2.070 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.489 7.238 -2.125 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.390 5.949 -3.540 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.996 6.638 -5.381 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.845 10.951 -3.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.245 9.034 -6.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.511 12.431 -4.150 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.178 11.497 -5.738 1.00 0.00 H new ATOM 408 N ALA A 39 -2.872 10.214 -0.393 1.00 0.00 N ATOM 409 CA ALA A 39 -3.918 11.228 -0.171 1.00 0.00 C ATOM 410 C ALA A 39 -3.602 12.500 -0.970 1.00 0.00 C ATOM 411 O ALA A 39 -2.449 12.938 -0.929 1.00 0.00 O ATOM 412 CB ALA A 39 -4.041 11.568 1.316 1.00 0.00 C ATOM 0 H ALA A 39 -1.920 10.562 -0.284 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.867 10.816 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.819 12.318 1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.301 10.669 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.091 11.959 1.680 1.00 0.00 H new ATOM 418 N PRO A 40 -4.604 13.117 -1.618 1.00 0.00 N ATOM 419 CA PRO A 40 -4.418 14.360 -2.398 1.00 0.00 C ATOM 420 C PRO A 40 -3.833 15.493 -1.538 1.00 0.00 C ATOM 421 O PRO A 40 -3.074 16.337 -2.020 1.00 0.00 O ATOM 422 CB PRO A 40 -5.803 14.692 -2.945 1.00 0.00 C ATOM 423 CG PRO A 40 -6.763 14.043 -1.946 1.00 0.00 C ATOM 424 CD PRO A 40 -6.035 12.755 -1.550 1.00 0.00 C ATOM 0 HA PRO A 40 -3.695 14.234 -3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.960 15.769 -3.007 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.942 14.292 -3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.943 14.686 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.734 13.835 -2.397 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.317 12.429 -0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.272 11.937 -2.230 1.00 0.00 H new ATOM 557 N ALA A 49 4.165 4.438 -3.225 1.00 0.00 N ATOM 558 CA ALA A 49 3.965 3.273 -4.110 1.00 0.00 C ATOM 559 C ALA A 49 5.233 2.558 -4.613 1.00 0.00 C ATOM 560 O ALA A 49 5.290 1.329 -4.504 1.00 0.00 O ATOM 561 CB ALA A 49 2.943 3.572 -5.229 1.00 0.00 C ATOM 0 HA ALA A 49 3.533 2.519 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.824 2.690 -5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.983 3.833 -4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.300 4.405 -5.835 1.00 0.00 H new ATOM 567 N PRO A 50 6.299 3.286 -4.990 1.00 0.00 N ATOM 568 CA PRO A 50 7.632 2.738 -5.297 1.00 0.00 C ATOM 569 C PRO A 50 8.214 1.866 -4.168 1.00 0.00 C ATOM 570 O PRO A 50 8.554 0.722 -4.430 1.00 0.00 O ATOM 571 CB PRO A 50 8.505 3.960 -5.532 1.00 0.00 C ATOM 572 CG PRO A 50 7.538 4.949 -6.185 1.00 0.00 C ATOM 573 CD PRO A 50 6.222 4.667 -5.465 1.00 0.00 C ATOM 0 HA PRO A 50 7.580 2.071 -6.157 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.914 4.350 -4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.351 3.734 -6.181 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.861 5.981 -6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.454 4.783 -7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.079 5.356 -4.633 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.375 4.800 -6.138 1.00 0.00 H new ATOM 581 N VAL A 51 8.180 2.366 -2.928 1.00 0.00 N ATOM 582 CA VAL A 51 8.618 1.607 -1.724 1.00 0.00 C ATOM 583 C VAL A 51 7.908 0.238 -1.650 1.00 0.00 C ATOM 584 O VAL A 51 8.563 -0.807 -1.621 1.00 0.00 O ATOM 585 CB VAL A 51 8.388 2.467 -0.460 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.634 1.730 0.854 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.265 3.734 -0.492 1.00 0.00 C ATOM 0 H VAL A 51 7.850 3.308 -2.718 1.00 0.00 H new ATOM 0 HA VAL A 51 9.685 1.395 -1.791 1.00 0.00 H new ATOM 0 HB VAL A 51 7.330 2.728 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.450 2.405 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.961 0.875 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.667 1.383 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.086 4.323 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.316 3.448 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.014 4.328 -1.371 1.00 0.00 H new ATOM 597 N ILE A 52 6.606 0.258 -1.884 1.00 0.00 N ATOM 598 CA ILE A 52 5.740 -0.934 -1.899 1.00 0.00 C ATOM 599 C ILE A 52 6.037 -1.857 -3.098 1.00 0.00 C ATOM 600 O ILE A 52 6.246 -3.051 -2.926 1.00 0.00 O ATOM 601 CB ILE A 52 4.289 -0.408 -1.754 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.908 -0.172 -0.280 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.201 -1.276 -2.410 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.784 0.822 0.475 1.00 0.00 C ATOM 0 H ILE A 52 6.098 1.122 -2.075 1.00 0.00 H new ATOM 0 HA ILE A 52 5.932 -1.612 -1.068 1.00 0.00 H new ATOM 0 HB ILE A 52 4.312 0.534 -2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.876 0.178 -0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.940 -1.128 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.225 -0.818 -2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.394 -1.354 -3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.213 -2.271 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.429 0.913 1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.815 0.469 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.735 1.795 -0.014 1.00 0.00 H new ATOM 616 N ASP A 53 6.282 -1.239 -4.255 1.00 0.00 N ATOM 617 CA ASP A 53 6.674 -1.965 -5.475 1.00 0.00 C ATOM 618 C ASP A 53 8.045 -2.654 -5.378 1.00 0.00 C ATOM 619 O ASP A 53 8.318 -3.652 -6.035 1.00 0.00 O ATOM 620 CB ASP A 53 6.626 -1.046 -6.710 1.00 0.00 C ATOM 621 CG ASP A 53 5.185 -0.697 -7.095 1.00 0.00 C ATOM 622 OD1 ASP A 53 4.956 0.516 -7.302 1.00 0.00 O ATOM 623 OD2 ASP A 53 4.359 -1.628 -7.177 1.00 0.00 O ATOM 0 H ASP A 53 6.216 -0.229 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 53 5.937 -2.760 -5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.181 -0.130 -6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.119 -1.537 -7.549 1.00 0.00 H new ATOM 629 N GLU A 54 8.895 -2.046 -4.564 1.00 0.00 N ATOM 630 CA GLU A 54 10.210 -2.580 -4.174 1.00 0.00 C ATOM 631 C GLU A 54 10.093 -3.711 -3.138 1.00 0.00 C ATOM 632 O GLU A 54 10.738 -4.745 -3.285 1.00 0.00 O ATOM 633 CB GLU A 54 11.062 -1.471 -3.599 1.00 0.00 C ATOM 634 CG GLU A 54 11.523 -0.501 -4.692 1.00 0.00 C ATOM 635 CD GLU A 54 12.281 0.686 -4.101 1.00 0.00 C ATOM 636 OE1 GLU A 54 11.627 1.746 -3.922 1.00 0.00 O ATOM 637 OE2 GLU A 54 13.491 0.518 -3.860 1.00 0.00 O ATOM 0 H GLU A 54 8.692 -1.141 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 54 10.672 -2.991 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.495 -0.928 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.931 -1.899 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.163 -1.027 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.658 -0.141 -5.249 1.00 0.00 H new ATOM 645 N LEU A 55 9.208 -3.528 -2.153 1.00 0.00 N ATOM 646 CA LEU A 55 8.875 -4.583 -1.186 1.00 0.00 C ATOM 647 C LEU A 55 8.401 -5.885 -1.865 1.00 0.00 C ATOM 648 O LEU A 55 8.855 -6.970 -1.487 1.00 0.00 O ATOM 649 CB LEU A 55 7.808 -4.076 -0.199 1.00 0.00 C ATOM 650 CG LEU A 55 8.339 -3.051 0.798 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.188 -2.377 1.536 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.310 -3.682 1.797 1.00 0.00 C ATOM 0 H LEU A 55 8.705 -2.653 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 55 9.790 -4.824 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.986 -3.632 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.398 -4.925 0.348 1.00 0.00 H new ATOM 0 HG LEU A 55 8.888 -2.299 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.586 -1.649 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.542 -1.871 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.612 -3.129 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.666 -2.919 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.800 -4.468 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.158 -4.109 1.261 1.00 0.00 H new ATOM 664 N ALA A 56 7.842 -5.708 -3.063 1.00 0.00 N ATOM 665 CA ALA A 56 7.355 -6.788 -3.943 1.00 0.00 C ATOM 666 C ALA A 56 8.449 -7.800 -4.345 1.00 0.00 C ATOM 667 O ALA A 56 8.154 -8.973 -4.564 1.00 0.00 O ATOM 668 CB ALA A 56 6.779 -6.178 -5.207 1.00 0.00 C ATOM 0 H ALA A 56 7.708 -4.781 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 56 6.602 -7.334 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.417 -6.971 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.953 -5.516 -4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.553 -5.608 -5.721 1.00 0.00 H new ATOM 674 N LYS A 57 9.663 -7.309 -4.554 1.00 0.00 N ATOM 675 CA LYS A 57 10.826 -8.151 -4.897 1.00 0.00 C ATOM 676 C LYS A 57 11.772 -8.441 -3.712 1.00 0.00 C ATOM 677 O LYS A 57 12.348 -9.520 -3.640 1.00 0.00 O ATOM 678 CB LYS A 57 11.576 -7.576 -6.101 1.00 0.00 C ATOM 679 CG LYS A 57 11.970 -6.103 -5.968 1.00 0.00 C ATOM 680 CD LYS A 57 12.020 -5.481 -7.353 1.00 0.00 C ATOM 681 CE LYS A 57 12.162 -3.960 -7.312 1.00 0.00 C ATOM 682 NZ LYS A 57 13.526 -3.585 -6.929 1.00 0.00 N ATOM 0 H LYS A 57 9.881 -6.314 -4.493 1.00 0.00 H new ATOM 0 HA LYS A 57 10.421 -9.125 -5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.478 -8.165 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.954 -7.692 -6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.250 -5.575 -5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.941 -6.015 -5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.857 -5.905 -7.907 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.112 -5.742 -7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.923 -3.540 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.450 -3.541 -6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.607 -2.548 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.741 -3.971 -5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.199 -3.969 -7.622 1.00 0.00 H new ATOM 696 N GLU A 58 11.643 -7.596 -2.691 1.00 0.00 N ATOM 697 CA GLU A 58 12.509 -7.586 -1.491 1.00 0.00 C ATOM 698 C GLU A 58 12.525 -8.923 -0.729 1.00 0.00 C ATOM 699 O GLU A 58 13.556 -9.337 -0.214 1.00 0.00 O ATOM 700 CB GLU A 58 11.995 -6.425 -0.630 1.00 0.00 C ATOM 701 CG GLU A 58 13.089 -5.789 0.220 1.00 0.00 C ATOM 702 CD GLU A 58 12.721 -4.397 0.731 1.00 0.00 C ATOM 703 OE1 GLU A 58 13.006 -4.136 1.921 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.168 -3.602 -0.063 1.00 0.00 O ATOM 0 H GLU A 58 10.919 -6.878 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 58 13.553 -7.450 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.557 -5.665 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.199 -6.787 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.302 -6.437 1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.005 -5.723 -0.368 1.00 0.00 H new ATOM 712 N TYR A 59 11.350 -9.533 -0.618 1.00 0.00 N ATOM 713 CA TYR A 59 11.168 -10.895 -0.059 1.00 0.00 C ATOM 714 C TYR A 59 10.336 -11.767 -1.005 1.00 0.00 C ATOM 715 O TYR A 59 9.592 -12.652 -0.595 1.00 0.00 O ATOM 716 CB TYR A 59 10.592 -10.829 1.370 1.00 0.00 C ATOM 717 CG TYR A 59 9.496 -9.791 1.565 1.00 0.00 C ATOM 718 CD1 TYR A 59 9.929 -8.508 1.943 1.00 0.00 C ATOM 719 CD2 TYR A 59 8.203 -10.046 1.083 1.00 0.00 C ATOM 720 CE1 TYR A 59 9.055 -7.417 1.762 1.00 0.00 C ATOM 721 CE2 TYR A 59 7.332 -8.974 0.912 1.00 0.00 C ATOM 722 CZ TYR A 59 7.767 -7.676 1.252 1.00 0.00 C ATOM 723 OH TYR A 59 6.882 -6.649 1.201 1.00 0.00 O ATOM 0 H TYR A 59 10.475 -9.100 -0.915 1.00 0.00 H new ATOM 0 HA TYR A 59 12.143 -11.376 0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.196 -11.810 1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 59 11.404 -10.616 2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.913 -8.361 2.364 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.890 -11.053 0.850 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.364 -6.411 2.007 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.337 -9.134 0.524 1.00 0.00 H new ATOM 0 HH TYR A 59 7.243 -5.882 1.692 1.00 0.00 H new ATOM 733 N SER A 60 10.627 -11.588 -2.286 1.00 0.00 N ATOM 734 CA SER A 60 9.904 -12.156 -3.447 1.00 0.00 C ATOM 735 C SER A 60 8.437 -11.679 -3.485 1.00 0.00 C ATOM 736 O SER A 60 7.993 -10.972 -2.583 1.00 0.00 O ATOM 737 CB SER A 60 10.004 -13.687 -3.512 1.00 0.00 C ATOM 738 OG SER A 60 9.112 -14.292 -2.573 1.00 0.00 O ATOM 0 H SER A 60 11.417 -11.011 -2.574 1.00 0.00 H new ATOM 0 HA SER A 60 10.399 -11.777 -4.341 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.767 -14.029 -4.519 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.027 -13.999 -3.302 1.00 0.00 H new ATOM 0 HG SER A 60 9.206 -13.852 -1.702 1.00 0.00 H new ATOM 744 N GLY A 61 7.702 -12.203 -4.466 1.00 0.00 N ATOM 745 CA GLY A 61 6.284 -11.888 -4.770 1.00 0.00 C ATOM 746 C GLY A 61 5.279 -12.466 -3.752 1.00 0.00 C ATOM 747 O GLY A 61 4.168 -12.857 -4.105 1.00 0.00 O ATOM 0 H GLY A 61 8.088 -12.894 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.164 -10.805 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.042 -12.271 -5.761 1.00 0.00 H new ATOM 751 N LYS A 62 5.679 -12.388 -2.495 1.00 0.00 N ATOM 752 CA LYS A 62 4.931 -12.791 -1.293 1.00 0.00 C ATOM 753 C LYS A 62 3.619 -12.025 -1.102 1.00 0.00 C ATOM 754 O LYS A 62 2.615 -12.581 -0.660 1.00 0.00 O ATOM 755 CB LYS A 62 5.872 -12.570 -0.111 1.00 0.00 C ATOM 756 CG LYS A 62 6.624 -13.884 0.097 1.00 0.00 C ATOM 757 CD LYS A 62 7.508 -13.840 1.345 1.00 0.00 C ATOM 758 CE LYS A 62 8.228 -15.152 1.613 1.00 0.00 C ATOM 759 NZ LYS A 62 7.271 -16.219 1.942 1.00 0.00 N ATOM 0 H LYS A 62 6.599 -12.016 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 62 4.627 -13.834 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.566 -11.754 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.313 -12.297 0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.909 -14.702 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.240 -14.093 -0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.245 -13.045 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.894 -13.586 2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.810 -15.438 0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.932 -15.024 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.786 -17.049 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.610 -15.880 2.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.739 -16.484 1.088 1.00 0.00 H new ATOM 773 N ILE A 63 3.675 -10.738 -1.425 1.00 0.00 N ATOM 774 CA ILE A 63 2.531 -9.822 -1.292 1.00 0.00 C ATOM 775 C ILE A 63 2.103 -9.105 -2.576 1.00 0.00 C ATOM 776 O ILE A 63 2.911 -8.589 -3.356 1.00 0.00 O ATOM 777 CB ILE A 63 2.676 -8.838 -0.122 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.096 -8.323 0.134 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.157 -9.470 1.165 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.698 -7.492 -0.995 1.00 0.00 C ATOM 0 H ILE A 63 4.516 -10.291 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 63 1.708 -10.498 -1.060 1.00 0.00 H new ATOM 0 HB ILE A 63 2.084 -7.973 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.089 -7.721 1.043 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.747 -9.177 0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.265 -8.763 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.105 -9.729 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.729 -10.371 1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.703 -7.175 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.745 -8.092 -1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.077 -6.614 -1.172 1.00 0.00 H new ATOM 792 N ALA A 64 0.801 -9.159 -2.749 1.00 0.00 N ATOM 793 CA ALA A 64 0.052 -8.500 -3.831 1.00 0.00 C ATOM 794 C ALA A 64 -0.006 -6.983 -3.576 1.00 0.00 C ATOM 795 O ALA A 64 -0.758 -6.462 -2.749 1.00 0.00 O ATOM 796 CB ALA A 64 -1.337 -9.137 -3.876 1.00 0.00 C ATOM 0 H ALA A 64 0.195 -9.684 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 64 0.537 -8.634 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.924 -8.673 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.241 -10.205 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.837 -8.988 -2.919 1.00 0.00 H new ATOM 802 N VAL A 65 1.005 -6.353 -4.158 1.00 0.00 N ATOM 803 CA VAL A 65 1.324 -4.914 -4.068 1.00 0.00 C ATOM 804 C VAL A 65 0.363 -4.037 -4.870 1.00 0.00 C ATOM 805 O VAL A 65 0.421 -3.948 -6.097 1.00 0.00 O ATOM 806 CB VAL A 65 2.784 -4.677 -4.461 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.698 -4.992 -3.278 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.249 -5.381 -5.744 1.00 0.00 C ATOM 0 H VAL A 65 1.672 -6.854 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 65 1.189 -4.611 -3.030 1.00 0.00 H new ATOM 0 HB VAL A 65 2.852 -3.619 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.736 -4.821 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.442 -4.346 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.569 -6.034 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.297 -5.145 -5.929 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.134 -6.459 -5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.646 -5.039 -6.585 1.00 0.00 H new ATOM 818 N TYR A 66 -0.560 -3.437 -4.119 1.00 0.00 N ATOM 819 CA TYR A 66 -1.645 -2.603 -4.675 1.00 0.00 C ATOM 820 C TYR A 66 -1.556 -1.137 -4.229 1.00 0.00 C ATOM 821 O TYR A 66 -1.117 -0.817 -3.123 1.00 0.00 O ATOM 822 CB TYR A 66 -2.976 -3.187 -4.210 1.00 0.00 C ATOM 823 CG TYR A 66 -3.209 -4.666 -4.519 1.00 0.00 C ATOM 824 CD1 TYR A 66 -2.748 -5.277 -5.715 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.949 -5.376 -3.576 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.058 -6.633 -5.946 1.00 0.00 C ATOM 827 CE2 TYR A 66 -4.272 -6.720 -3.811 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.834 -7.337 -5.002 1.00 0.00 C ATOM 829 OH TYR A 66 -4.276 -8.596 -5.277 1.00 0.00 O ATOM 0 H TYR A 66 -0.583 -3.511 -3.102 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.556 -2.612 -5.761 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.054 -3.046 -3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.781 -2.611 -4.666 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.171 -4.714 -6.434 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.273 -4.892 -2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.704 -7.128 -6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.850 -7.277 -3.088 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.064 -8.793 -4.729 1.00 0.00 H new ATOM 839 N LYS A 67 -2.112 -0.287 -5.082 1.00 0.00 N ATOM 840 CA LYS A 67 -2.164 1.181 -4.892 1.00 0.00 C ATOM 841 C LYS A 67 -3.588 1.762 -4.851 1.00 0.00 C ATOM 842 O LYS A 67 -4.392 1.623 -5.776 1.00 0.00 O ATOM 843 CB LYS A 67 -1.283 1.933 -5.897 1.00 0.00 C ATOM 844 CG LYS A 67 -1.082 1.259 -7.265 1.00 0.00 C ATOM 845 CD LYS A 67 -2.379 1.000 -8.037 1.00 0.00 C ATOM 846 CE LYS A 67 -2.412 1.687 -9.403 1.00 0.00 C ATOM 847 NZ LYS A 67 -1.416 1.043 -10.265 1.00 0.00 N ATOM 0 H LYS A 67 -2.553 -0.593 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.749 1.343 -3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.717 2.919 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.303 2.088 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.430 1.886 -7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.565 0.311 -7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.505 -0.074 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.224 1.347 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.405 1.607 -9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.194 2.750 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.547 1.363 -11.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.461 1.298 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.533 0.011 -10.219 1.00 0.00 H new ATOM 861 N LEU A 68 -3.918 2.261 -3.661 1.00 0.00 N ATOM 862 CA LEU A 68 -5.228 2.855 -3.372 1.00 0.00 C ATOM 863 C LEU A 68 -5.292 4.377 -3.502 1.00 0.00 C ATOM 864 O LEU A 68 -4.723 5.128 -2.713 1.00 0.00 O ATOM 865 CB LEU A 68 -5.658 2.397 -1.965 1.00 0.00 C ATOM 866 CG LEU A 68 -7.127 2.747 -1.695 1.00 0.00 C ATOM 867 CD1 LEU A 68 -7.826 1.558 -1.045 1.00 0.00 C ATOM 868 CD2 LEU A 68 -7.269 4.011 -0.853 1.00 0.00 C ATOM 0 H LEU A 68 -3.282 2.266 -2.863 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.920 2.500 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.514 1.321 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.024 2.871 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.610 2.960 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.869 1.809 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.776 0.697 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.333 1.316 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.326 4.221 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.772 3.867 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.811 4.850 -1.376 1.00 0.00 H new ATOM 880 N ASN A 69 -6.127 4.779 -4.460 1.00 0.00 N ATOM 881 CA ASN A 69 -6.531 6.184 -4.645 1.00 0.00 C ATOM 882 C ASN A 69 -7.646 6.524 -3.671 1.00 0.00 C ATOM 883 O ASN A 69 -8.798 6.120 -3.848 1.00 0.00 O ATOM 884 CB ASN A 69 -6.999 6.441 -6.079 1.00 0.00 C ATOM 885 CG ASN A 69 -5.910 6.379 -7.148 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.780 5.934 -6.946 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.222 6.857 -8.327 1.00 0.00 N ATOM 0 H ASN A 69 -6.547 4.141 -5.136 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.666 6.819 -4.452 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.769 5.711 -6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.467 7.425 -6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.529 6.860 -9.076 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.158 7.226 -8.496 1.00 0.00 H new ATOM 894 N THR A 70 -7.283 7.246 -2.615 1.00 0.00 N ATOM 895 CA THR A 70 -8.262 7.721 -1.616 1.00 0.00 C ATOM 896 C THR A 70 -9.493 8.430 -2.214 1.00 0.00 C ATOM 897 O THR A 70 -10.626 8.049 -1.927 1.00 0.00 O ATOM 898 CB THR A 70 -7.591 8.654 -0.619 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.752 9.594 -1.304 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.851 7.831 0.435 1.00 0.00 C ATOM 0 H THR A 70 -6.320 7.520 -2.420 1.00 0.00 H new ATOM 0 HA THR A 70 -8.628 6.819 -1.125 1.00 0.00 H new ATOM 0 HB THR A 70 -8.339 9.245 -0.091 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.877 9.188 -1.474 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.371 8.501 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.560 7.190 0.959 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.094 7.215 -0.050 1.00 0.00 H new ATOM 908 N ASP A 71 -9.225 9.212 -3.253 1.00 0.00 N ATOM 909 CA ASP A 71 -10.233 9.966 -4.045 1.00 0.00 C ATOM 910 C ASP A 71 -11.256 9.053 -4.734 1.00 0.00 C ATOM 911 O ASP A 71 -12.348 9.494 -5.096 1.00 0.00 O ATOM 912 CB ASP A 71 -9.544 10.810 -5.125 1.00 0.00 C ATOM 913 CG ASP A 71 -8.533 11.785 -4.526 1.00 0.00 C ATOM 914 OD1 ASP A 71 -7.407 11.309 -4.248 1.00 0.00 O ATOM 915 OD2 ASP A 71 -8.903 12.958 -4.317 1.00 0.00 O ATOM 0 H ASP A 71 -8.273 9.354 -3.592 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.761 10.600 -3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.039 10.152 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.295 11.365 -5.686 1.00 0.00 H new ATOM 921 N GLU A 72 -10.808 7.847 -5.035 1.00 0.00 N ATOM 922 CA GLU A 72 -11.636 6.807 -5.688 1.00 0.00 C ATOM 923 C GLU A 72 -12.321 5.858 -4.708 1.00 0.00 C ATOM 924 O GLU A 72 -13.309 5.206 -5.045 1.00 0.00 O ATOM 925 CB GLU A 72 -10.673 6.025 -6.550 1.00 0.00 C ATOM 926 CG GLU A 72 -11.242 5.793 -7.944 1.00 0.00 C ATOM 927 CD GLU A 72 -10.070 5.730 -8.913 1.00 0.00 C ATOM 928 OE1 GLU A 72 -9.108 4.960 -8.662 1.00 0.00 O ATOM 929 OE2 GLU A 72 -10.037 6.630 -9.777 1.00 0.00 O ATOM 0 H GLU A 72 -9.854 7.544 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.446 7.281 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.729 6.564 -6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.456 5.066 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.815 4.866 -7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.923 6.598 -8.219 1.00 0.00 H new ATOM 937 N ALA A 73 -11.653 5.646 -3.574 1.00 0.00 N ATOM 938 CA ALA A 73 -12.156 4.772 -2.502 1.00 0.00 C ATOM 939 C ALA A 73 -12.232 5.439 -1.112 1.00 0.00 C ATOM 940 O ALA A 73 -11.505 5.051 -0.189 1.00 0.00 O ATOM 941 CB ALA A 73 -11.330 3.481 -2.517 1.00 0.00 C ATOM 0 H ALA A 73 -10.749 6.072 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.202 4.541 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.683 2.814 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.439 2.991 -3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.280 3.719 -2.347 1.00 0.00 H new ATOM 947 N PRO A 74 -13.211 6.340 -0.900 1.00 0.00 N ATOM 948 CA PRO A 74 -13.455 6.964 0.425 1.00 0.00 C ATOM 949 C PRO A 74 -13.853 5.918 1.474 1.00 0.00 C ATOM 950 O PRO A 74 -13.136 5.751 2.450 1.00 0.00 O ATOM 951 CB PRO A 74 -14.594 7.958 0.199 1.00 0.00 C ATOM 952 CG PRO A 74 -14.515 8.277 -1.290 1.00 0.00 C ATOM 953 CD PRO A 74 -14.097 6.946 -1.910 1.00 0.00 C ATOM 0 HA PRO A 74 -12.556 7.448 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.559 7.526 0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.468 8.854 0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.474 8.619 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.788 9.063 -1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.960 6.313 -2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.579 7.093 -2.858 1.00 0.00 H new ATOM 961 N GLY A 75 -14.750 5.029 1.063 1.00 0.00 N ATOM 962 CA GLY A 75 -15.368 3.947 1.863 1.00 0.00 C ATOM 963 C GLY A 75 -14.363 3.040 2.561 1.00 0.00 C ATOM 964 O GLY A 75 -14.517 2.705 3.735 1.00 0.00 O ATOM 0 H GLY A 75 -15.095 5.034 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.022 4.392 2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.997 3.341 1.211 1.00 0.00 H new ATOM 968 N ILE A 76 -13.279 2.726 1.853 1.00 0.00 N ATOM 969 CA ILE A 76 -12.153 1.943 2.379 1.00 0.00 C ATOM 970 C ILE A 76 -11.463 2.698 3.535 1.00 0.00 C ATOM 971 O ILE A 76 -11.528 2.286 4.685 1.00 0.00 O ATOM 972 CB ILE A 76 -11.206 1.607 1.217 1.00 0.00 C ATOM 973 CG1 ILE A 76 -11.904 0.796 0.103 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.937 0.897 1.691 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.688 -0.428 0.607 1.00 0.00 C ATOM 0 H ILE A 76 -13.153 3.011 0.882 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.501 1.003 2.807 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.910 2.564 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.587 1.453 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.152 0.462 -0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.300 0.680 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.400 1.539 2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.206 -0.035 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.146 -0.940 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.009 -1.110 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.465 -0.103 1.299 1.00 0.00 H new ATOM 987 N ALA A 77 -10.982 3.888 3.196 1.00 0.00 N ATOM 988 CA ALA A 77 -10.346 4.803 4.168 1.00 0.00 C ATOM 989 C ALA A 77 -11.228 5.065 5.395 1.00 0.00 C ATOM 990 O ALA A 77 -10.739 4.911 6.520 1.00 0.00 O ATOM 991 CB ALA A 77 -9.977 6.109 3.468 1.00 0.00 C ATOM 0 H ALA A 77 -11.016 4.256 2.245 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.443 4.321 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.508 6.785 4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.282 5.902 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.878 6.574 3.066 1.00 0.00 H new ATOM 997 N THR A 78 -12.540 5.189 5.166 1.00 0.00 N ATOM 998 CA THR A 78 -13.564 5.291 6.226 1.00 0.00 C ATOM 999 C THR A 78 -13.497 4.055 7.134 1.00 0.00 C ATOM 1000 O THR A 78 -13.147 4.142 8.317 1.00 0.00 O ATOM 1001 CB THR A 78 -14.927 5.289 5.558 1.00 0.00 C ATOM 1002 OG1 THR A 78 -15.012 6.280 4.530 1.00 0.00 O ATOM 1003 CG2 THR A 78 -16.106 5.454 6.518 1.00 0.00 C ATOM 0 H THR A 78 -12.932 5.222 4.225 1.00 0.00 H new ATOM 0 HA THR A 78 -13.397 6.196 6.811 1.00 0.00 H new ATOM 0 HB THR A 78 -15.011 4.293 5.124 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.901 6.250 4.120 1.00 0.00 H new ATOM 0 HG21 THR A 78 -17.039 5.441 5.954 1.00 0.00 H new ATOM 0 HG22 THR A 78 -16.106 4.636 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.015 6.403 7.047 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.780 2.914 6.514 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.892 1.580 7.146 1.00 0.00 C ATOM 1013 C GLN A 79 -12.736 1.252 8.110 1.00 0.00 C ATOM 1014 O GLN A 79 -12.932 0.644 9.158 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.786 0.561 6.008 1.00 0.00 C ATOM 1016 CG GLN A 79 -14.198 -0.856 6.399 1.00 0.00 C ATOM 1017 CD GLN A 79 -15.556 -1.190 5.780 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -15.690 -1.962 4.856 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -16.600 -0.688 6.409 1.00 0.00 N ATOM 0 H GLN A 79 -13.948 2.880 5.508 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.823 1.556 7.712 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.410 0.893 5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.758 0.542 5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.448 -1.570 6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -14.252 -0.943 7.484 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.465 -0.040 7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.543 -0.948 6.120 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.547 1.561 7.626 1.00 0.00 N ATOM 1029 CA TYR A 80 -10.282 1.223 8.306 1.00 0.00 C ATOM 1030 C TYR A 80 -9.748 2.331 9.226 1.00 0.00 C ATOM 1031 O TYR A 80 -8.783 2.096 9.957 1.00 0.00 O ATOM 1032 CB TYR A 80 -9.294 0.797 7.215 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.779 -0.443 6.445 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -10.178 -1.624 7.130 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -10.104 -0.261 5.083 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.951 -2.593 6.462 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.883 -1.218 4.419 1.00 0.00 C ATOM 1038 CZ TYR A 80 -11.308 -2.364 5.109 1.00 0.00 C ATOM 1039 OH TYR A 80 -12.029 -3.292 4.428 1.00 0.00 O ATOM 0 H TYR A 80 -11.417 2.057 6.744 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.447 0.403 9.006 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.148 1.622 6.517 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.325 0.586 7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.889 -1.777 8.159 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.753 0.613 4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -11.266 -3.493 6.970 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.154 -1.075 3.384 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.147 -2.999 3.500 1.00 0.00 H new ATOM 1049 N ASN A 81 -10.476 3.450 9.297 1.00 0.00 N ATOM 1050 CA ASN A 81 -10.143 4.648 10.112 1.00 0.00 C ATOM 1051 C ASN A 81 -8.688 5.133 10.002 1.00 0.00 C ATOM 1052 O ASN A 81 -8.217 5.959 10.786 1.00 0.00 O ATOM 1053 CB ASN A 81 -10.505 4.411 11.578 1.00 0.00 C ATOM 1054 CG ASN A 81 -12.013 4.390 11.757 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -12.668 5.410 11.949 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -12.599 3.221 11.620 1.00 0.00 N ATOM 0 H ASN A 81 -11.345 3.562 8.775 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.747 5.451 9.690 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.080 3.466 11.915 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.070 5.195 12.197 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.615 3.151 11.673 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.037 2.385 11.461 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.150 4.926 8.796 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.715 5.158 8.495 1.00 0.00 C ATOM 1065 C ILE A 82 -6.322 6.577 8.093 1.00 0.00 C ATOM 1066 O ILE A 82 -5.291 6.780 7.453 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.271 4.099 7.462 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -7.103 4.064 6.177 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.196 2.691 8.049 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.874 5.323 5.330 1.00 0.00 C ATOM 0 H ILE A 82 -8.688 4.593 7.995 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.172 5.045 9.434 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.270 4.431 7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.841 3.180 5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.160 3.979 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.879 1.991 7.276 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.478 2.676 8.869 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.178 2.399 8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.479 5.268 4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.160 6.205 5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.821 5.392 5.059 1.00 0.00 H new ATOM 1082 N ARG A 83 -7.007 7.531 8.709 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.912 9.000 8.504 1.00 0.00 C ATOM 1084 C ARG A 83 -5.494 9.589 8.357 1.00 0.00 C ATOM 1085 O ARG A 83 -5.283 10.621 7.721 1.00 0.00 O ATOM 1086 CB ARG A 83 -7.616 9.707 9.674 1.00 0.00 C ATOM 1087 CG ARG A 83 -9.055 9.232 9.895 1.00 0.00 C ATOM 1088 CD ARG A 83 -9.868 9.460 8.618 1.00 0.00 C ATOM 1089 NE ARG A 83 -11.210 8.873 8.711 1.00 0.00 N ATOM 1090 CZ ARG A 83 -12.076 8.866 7.706 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -11.843 9.596 6.618 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -13.264 8.313 7.850 1.00 0.00 N ATOM 0 H ARG A 83 -7.699 7.298 9.421 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.389 9.176 7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.043 9.542 10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.620 10.781 9.490 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.064 8.175 10.161 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.505 9.774 10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.952 10.530 8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.340 9.026 7.769 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.492 8.448 9.595 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.997 10.163 6.555 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.510 9.589 5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.523 7.886 8.739 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.924 8.312 7.072 1.00 0.00 H new ATOM 1106 N SER A 84 -4.543 8.869 8.932 1.00 0.00 N ATOM 1107 CA SER A 84 -3.090 9.153 8.923 1.00 0.00 C ATOM 1108 C SER A 84 -2.474 8.626 7.617 1.00 0.00 C ATOM 1109 O SER A 84 -1.705 7.658 7.589 1.00 0.00 O ATOM 1110 CB SER A 84 -2.455 8.421 10.098 1.00 0.00 C ATOM 1111 OG SER A 84 -3.214 8.669 11.275 1.00 0.00 O ATOM 0 H SER A 84 -4.762 8.019 9.451 1.00 0.00 H new ATOM 0 HA SER A 84 -2.917 10.226 8.999 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.416 7.351 9.896 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.427 8.757 10.237 1.00 0.00 H new ATOM 0 HG SER A 84 -2.808 8.197 12.032 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.902 9.223 6.518 1.00 0.00 N ATOM 1118 CA ILE A 85 -2.451 8.818 5.167 1.00 0.00 C ATOM 1119 C ILE A 85 -1.141 9.590 4.875 1.00 0.00 C ATOM 1120 O ILE A 85 -1.150 10.814 5.050 1.00 0.00 O ATOM 1121 CB ILE A 85 -3.581 9.044 4.149 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -4.915 8.473 4.640 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -3.230 8.352 2.824 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -6.150 9.059 3.937 1.00 0.00 C ATOM 0 H ILE A 85 -3.566 9.997 6.519 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.227 7.754 5.096 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.684 10.121 4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.909 7.392 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.002 8.653 5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.033 8.514 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.302 8.767 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.106 7.283 2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.052 8.601 4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.185 10.136 4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.091 8.856 2.868 1.00 0.00 H new ATOM 1136 N PRO A 86 -0.064 8.921 4.420 1.00 0.00 N ATOM 1137 CA PRO A 86 0.036 7.494 4.036 1.00 0.00 C ATOM 1138 C PRO A 86 -0.099 6.457 5.157 1.00 0.00 C ATOM 1139 O PRO A 86 0.487 6.575 6.222 1.00 0.00 O ATOM 1140 CB PRO A 86 1.401 7.325 3.361 1.00 0.00 C ATOM 1141 CG PRO A 86 1.833 8.757 3.029 1.00 0.00 C ATOM 1142 CD PRO A 86 1.218 9.606 4.136 1.00 0.00 C ATOM 0 HA PRO A 86 -0.821 7.288 3.395 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.116 6.836 4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.328 6.712 2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.919 8.851 3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.472 9.063 2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.858 9.642 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.061 10.635 3.813 1.00 0.00 H new ATOM 1150 N THR A 87 -0.859 5.432 4.810 1.00 0.00 N ATOM 1151 CA THR A 87 -1.089 4.258 5.681 1.00 0.00 C ATOM 1152 C THR A 87 -0.990 3.007 4.807 1.00 0.00 C ATOM 1153 O THR A 87 -1.662 2.896 3.778 1.00 0.00 O ATOM 1154 CB THR A 87 -2.475 4.223 6.324 1.00 0.00 C ATOM 1155 OG1 THR A 87 -3.034 5.530 6.396 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.399 3.562 7.708 1.00 0.00 C ATOM 0 H THR A 87 -1.343 5.377 3.914 1.00 0.00 H new ATOM 0 HA THR A 87 -0.348 4.309 6.479 1.00 0.00 H new ATOM 0 HB THR A 87 -3.137 3.623 5.700 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.408 6.129 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.392 3.542 8.157 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.027 2.543 7.604 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.723 4.131 8.346 1.00 0.00 H new ATOM 1164 N VAL A 88 -0.116 2.115 5.206 1.00 0.00 N ATOM 1165 CA VAL A 88 0.113 0.885 4.424 1.00 0.00 C ATOM 1166 C VAL A 88 -0.272 -0.377 5.210 1.00 0.00 C ATOM 1167 O VAL A 88 0.304 -0.698 6.250 1.00 0.00 O ATOM 1168 CB VAL A 88 1.520 0.940 3.803 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.656 0.742 4.803 1.00 0.00 C ATOM 1170 CG2 VAL A 88 1.628 -0.041 2.638 1.00 0.00 C ATOM 0 H VAL A 88 0.449 2.198 6.051 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.565 0.821 3.573 1.00 0.00 H new ATOM 0 HB VAL A 88 1.645 1.957 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.612 0.795 4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.612 1.523 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.556 -0.233 5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.629 0.011 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.438 -1.053 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.894 0.218 1.875 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.352 -0.992 4.728 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.981 -2.152 5.378 1.00 0.00 C ATOM 1182 C LEU A 89 -1.486 -3.478 4.814 1.00 0.00 C ATOM 1183 O LEU A 89 -1.458 -3.709 3.599 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.513 -2.096 5.231 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.264 -1.145 6.163 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.924 0.328 5.969 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.769 -1.321 5.901 1.00 0.00 C ATOM 0 H LEU A 89 -1.821 -0.701 3.870 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.700 -2.099 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.745 -1.817 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.905 -3.101 5.385 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.968 -1.403 7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.502 0.930 6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.860 0.483 6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.167 0.626 4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.332 -0.654 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.988 -1.081 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.055 -2.353 6.104 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.137 -4.346 5.752 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.520 -5.662 5.517 1.00 0.00 C ATOM 1201 C PHE A 90 -1.420 -6.799 6.003 1.00 0.00 C ATOM 1202 O PHE A 90 -1.743 -6.975 7.185 1.00 0.00 O ATOM 1203 CB PHE A 90 0.858 -5.724 6.176 1.00 0.00 C ATOM 1204 CG PHE A 90 1.946 -4.847 5.549 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.651 -3.882 4.548 1.00 0.00 C ATOM 1206 CD2 PHE A 90 3.224 -4.881 6.143 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.615 -2.923 4.178 1.00 0.00 C ATOM 1208 CE2 PHE A 90 4.203 -3.936 5.763 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.872 -2.962 4.799 1.00 0.00 C ATOM 0 H PHE A 90 -1.278 -4.153 6.744 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.394 -5.792 4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.750 -5.441 7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.200 -6.759 6.159 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.683 -3.884 4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.454 -5.629 6.888 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.391 -2.174 3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.189 -3.959 6.204 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.611 -2.222 4.530 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.000 -7.345 4.950 1.00 0.00 N ATOM 1220 CA PHE A 91 -2.948 -8.472 4.957 1.00 0.00 C ATOM 1221 C PHE A 91 -2.255 -9.762 4.521 1.00 0.00 C ATOM 1222 O PHE A 91 -1.467 -9.793 3.578 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.061 -8.228 3.939 1.00 0.00 C ATOM 1224 CG PHE A 91 -4.993 -7.066 4.274 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.593 -5.738 3.966 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.339 -7.371 4.587 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.559 -4.714 3.960 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.304 -6.347 4.581 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.907 -5.029 4.274 1.00 0.00 C ATOM 0 H PHE A 91 -1.819 -7.002 4.006 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.339 -8.557 5.971 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.609 -8.043 2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.655 -9.137 3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.561 -5.517 3.739 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.624 -8.384 4.829 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.277 -3.700 3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.336 -6.568 4.809 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.646 -4.241 4.278 1.00 0.00 H new ATOM 1239 N LYS A 92 -2.769 -10.827 5.090 1.00 0.00 N ATOM 1240 CA LYS A 92 -2.474 -12.184 4.605 1.00 0.00 C ATOM 1241 C LYS A 92 -3.766 -12.760 4.003 1.00 0.00 C ATOM 1242 O LYS A 92 -4.529 -13.483 4.633 1.00 0.00 O ATOM 1243 CB LYS A 92 -1.846 -13.059 5.677 1.00 0.00 C ATOM 1244 CG LYS A 92 -1.181 -14.298 5.041 1.00 0.00 C ATOM 1245 CD LYS A 92 0.007 -14.801 5.863 1.00 0.00 C ATOM 1246 CE LYS A 92 -0.409 -15.378 7.224 1.00 0.00 C ATOM 1247 NZ LYS A 92 0.771 -15.850 7.953 1.00 0.00 N ATOM 0 H LYS A 92 -3.397 -10.795 5.893 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.713 -12.150 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.104 -12.486 6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.608 -13.374 6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.918 -15.095 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.845 -14.052 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.536 -15.567 5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.707 -13.980 6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.926 -14.616 7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.110 -16.200 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.479 -16.238 8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.247 -16.591 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.426 -15.056 8.105 1.00 0.00 H new ATOM 1261 N ASN A 93 -4.095 -12.054 2.919 1.00 0.00 N ATOM 1262 CA ASN A 93 -5.286 -12.238 2.059 1.00 0.00 C ATOM 1263 C ASN A 93 -6.601 -12.135 2.846 1.00 0.00 C ATOM 1264 O ASN A 93 -7.055 -13.089 3.481 1.00 0.00 O ATOM 1265 CB ASN A 93 -5.175 -13.536 1.238 1.00 0.00 C ATOM 1266 CG ASN A 93 -6.436 -13.846 0.428 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -6.871 -13.132 -0.472 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -7.056 -14.938 0.803 1.00 0.00 N ATOM 0 H ASN A 93 -3.506 -11.289 2.590 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.312 -11.412 1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.325 -13.458 0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.970 -14.368 1.912 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.924 -15.215 0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.671 -15.511 1.554 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.151 -10.924 2.803 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.368 -10.553 3.567 1.00 0.00 C ATOM 1277 C GLY A 94 -8.263 -10.681 5.095 1.00 0.00 C ATOM 1278 O GLY A 94 -9.263 -10.515 5.795 1.00 0.00 O ATOM 0 H GLY A 94 -6.774 -10.161 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.626 -9.522 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.193 -11.177 3.225 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.031 -10.762 5.587 1.00 0.00 N ATOM 1283 CA GLU A 95 -6.721 -10.975 7.010 1.00 0.00 C ATOM 1284 C GLU A 95 -5.713 -9.899 7.427 1.00 0.00 C ATOM 1285 O GLU A 95 -4.535 -9.998 7.101 1.00 0.00 O ATOM 1286 CB GLU A 95 -6.098 -12.363 7.199 1.00 0.00 C ATOM 1287 CG GLU A 95 -7.057 -13.515 6.896 1.00 0.00 C ATOM 1288 CD GLU A 95 -8.216 -13.583 7.893 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -9.354 -13.296 7.466 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -7.926 -13.916 9.062 1.00 0.00 O ATOM 0 H GLU A 95 -6.199 -10.681 5.003 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.625 -10.913 7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.224 -12.450 6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.746 -12.456 8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.454 -13.398 5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.508 -14.457 6.915 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.216 -8.882 8.122 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.369 -7.726 8.406 1.00 0.00 C ATOM 1300 C ARG A 96 -4.653 -7.879 9.750 1.00 0.00 C ATOM 1301 O ARG A 96 -5.248 -8.205 10.770 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.187 -6.437 8.415 1.00 0.00 C ATOM 1303 CG ARG A 96 -5.278 -5.301 7.924 1.00 0.00 C ATOM 1304 CD ARG A 96 -5.743 -3.954 8.454 1.00 0.00 C ATOM 1305 NE ARG A 96 -5.479 -3.922 9.906 1.00 0.00 N ATOM 1306 CZ ARG A 96 -5.654 -2.890 10.726 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -6.272 -1.780 10.352 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -5.352 -3.028 12.005 1.00 0.00 N ATOM 0 H ARG A 96 -7.167 -8.832 8.487 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.624 -7.672 7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.060 -6.534 7.769 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.555 -6.225 9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.253 -5.487 8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.271 -5.283 6.834 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.214 -3.143 7.952 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.805 -3.812 8.256 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.125 -4.782 10.324 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.635 -1.693 9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.385 -1.012 11.013 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.990 -3.917 12.351 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.481 -2.246 12.647 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.336 -7.707 9.655 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.429 -7.830 10.816 1.00 0.00 C ATOM 1324 C LYS A 97 -1.748 -6.500 11.141 1.00 0.00 C ATOM 1325 O LYS A 97 -1.931 -5.936 12.216 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.368 -8.890 10.560 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.038 -10.239 10.435 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.718 -10.868 9.080 1.00 0.00 C ATOM 1329 CE LYS A 97 -2.268 -12.291 9.080 1.00 0.00 C ATOM 1330 NZ LYS A 97 -1.501 -13.111 10.029 1.00 0.00 N ATOM 0 H LYS A 97 -2.861 -7.480 8.781 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.039 -8.125 11.670 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.817 -8.658 9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.645 -8.903 11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.701 -10.896 11.237 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.117 -10.128 10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.166 -10.286 8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.642 -10.875 8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.322 -12.285 9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.204 -12.718 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.572 -14.113 9.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.503 -12.818 10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.884 -12.983 10.987 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.006 -6.010 10.151 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.221 -4.770 10.282 1.00 0.00 C ATOM 1346 C GLU A 98 -0.740 -3.597 9.460 1.00 0.00 C ATOM 1347 O GLU A 98 -1.247 -3.774 8.351 1.00 0.00 O ATOM 1348 CB GLU A 98 1.238 -5.067 9.945 1.00 0.00 C ATOM 1349 CG GLU A 98 2.062 -5.349 11.203 1.00 0.00 C ATOM 1350 CD GLU A 98 1.542 -6.546 12.022 1.00 0.00 C ATOM 1351 OE1 GLU A 98 1.095 -6.289 13.163 1.00 0.00 O ATOM 1352 OE2 GLU A 98 1.593 -7.678 11.485 1.00 0.00 O ATOM 0 H GLU A 98 -0.927 -6.454 9.236 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.321 -4.445 11.318 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.290 -5.926 9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.668 -4.220 9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.096 -5.537 10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.063 -4.460 11.834 1.00 0.00 H new ATOM 1360 N SER A 99 -0.720 -2.444 10.092 1.00 0.00 N ATOM 1361 CA SER A 99 -1.110 -1.164 9.472 1.00 0.00 C ATOM 1362 C SER A 99 -0.150 -0.049 9.897 1.00 0.00 C ATOM 1363 O SER A 99 -0.122 0.400 11.045 1.00 0.00 O ATOM 1364 CB SER A 99 -2.575 -0.811 9.763 1.00 0.00 C ATOM 1365 OG SER A 99 -3.019 -1.390 10.997 1.00 0.00 O ATOM 0 H SER A 99 -0.431 -2.351 11.066 1.00 0.00 H new ATOM 0 HA SER A 99 -1.033 -1.274 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.688 0.272 9.807 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.205 -1.164 8.947 1.00 0.00 H new ATOM 0 HG SER A 99 -3.811 -0.910 11.318 1.00 0.00 H new ATOM 1371 N ILE A 100 0.712 0.305 8.946 1.00 0.00 N ATOM 1372 CA ILE A 100 1.813 1.256 9.201 1.00 0.00 C ATOM 1373 C ILE A 100 1.426 2.682 8.784 1.00 0.00 C ATOM 1374 O ILE A 100 1.386 3.037 7.611 1.00 0.00 O ATOM 1375 CB ILE A 100 3.138 0.792 8.569 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.573 -0.601 9.062 1.00 0.00 C ATOM 1377 CG2 ILE A 100 4.274 1.765 8.885 1.00 0.00 C ATOM 1378 CD1 ILE A 100 2.909 -1.733 8.283 1.00 0.00 C ATOM 0 H ILE A 100 0.677 -0.047 7.989 1.00 0.00 H new ATOM 0 HA ILE A 100 1.985 1.277 10.277 1.00 0.00 H new ATOM 0 HB ILE A 100 2.949 0.754 7.496 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.656 -0.691 8.975 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.329 -0.701 10.120 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.196 1.410 8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.029 2.751 8.491 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.409 1.829 9.965 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.251 -2.692 8.672 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.827 -1.663 8.391 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.174 -1.654 7.229 1.00 0.00 H new ATOM 1390 N ILE A 101 1.192 3.446 9.843 1.00 0.00 N ATOM 1391 CA ILE A 101 0.938 4.895 9.786 1.00 0.00 C ATOM 1392 C ILE A 101 2.261 5.615 9.423 1.00 0.00 C ATOM 1393 O ILE A 101 3.349 5.178 9.813 1.00 0.00 O ATOM 1394 CB ILE A 101 0.322 5.326 11.141 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.169 4.993 11.202 1.00 0.00 C ATOM 1396 CG2 ILE A 101 0.544 6.785 11.531 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -1.471 3.570 11.699 1.00 0.00 C ATOM 0 H ILE A 101 1.171 3.074 10.793 1.00 0.00 H new ATOM 0 HA ILE A 101 0.221 5.170 9.012 1.00 0.00 H new ATOM 0 HB ILE A 101 0.872 4.741 11.878 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.664 5.709 11.858 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.600 5.119 10.209 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.073 6.980 12.494 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.613 6.984 11.603 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.105 7.435 10.774 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.549 3.411 11.714 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.006 2.845 11.031 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.072 3.444 12.705 1.00 0.00 H new ATOM 1409 N GLY A 102 2.130 6.519 8.466 1.00 0.00 N ATOM 1410 CA GLY A 102 3.256 7.321 7.936 1.00 0.00 C ATOM 1411 C GLY A 102 3.833 6.673 6.671 1.00 0.00 C ATOM 1412 O GLY A 102 4.126 7.346 5.688 1.00 0.00 O ATOM 0 H GLY A 102 1.237 6.730 8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.915 8.331 7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.035 7.409 8.693 1.00 0.00 H new ATOM 1416 N ALA A 103 4.039 5.360 6.773 1.00 0.00 N ATOM 1417 CA ALA A 103 4.597 4.475 5.720 1.00 0.00 C ATOM 1418 C ALA A 103 5.922 4.915 5.066 1.00 0.00 C ATOM 1419 O ALA A 103 6.382 4.330 4.090 1.00 0.00 O ATOM 1420 CB ALA A 103 3.511 4.250 4.652 1.00 0.00 C ATOM 0 H ALA A 103 3.815 4.849 7.627 1.00 0.00 H new ATOM 0 HA ALA A 103 4.875 3.554 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.901 3.601 3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.641 3.781 5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.222 5.208 4.220 1.00 0.00 H new ATOM 1426 N VAL A 104 6.670 5.660 5.864 1.00 0.00 N ATOM 1427 CA VAL A 104 7.937 6.299 5.432 1.00 0.00 C ATOM 1428 C VAL A 104 9.275 5.565 5.711 1.00 0.00 C ATOM 1429 O VAL A 104 10.105 5.550 4.787 1.00 0.00 O ATOM 1430 CB VAL A 104 8.001 7.813 5.736 1.00 0.00 C ATOM 1431 CG1 VAL A 104 7.236 8.587 4.664 1.00 0.00 C ATOM 1432 CG2 VAL A 104 7.553 8.214 7.146 1.00 0.00 C ATOM 0 H VAL A 104 6.428 5.849 6.837 1.00 0.00 H new ATOM 0 HA VAL A 104 7.857 6.177 4.352 1.00 0.00 H new ATOM 0 HB VAL A 104 9.057 8.080 5.709 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.283 9.654 4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.683 8.396 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.195 8.264 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.635 9.295 7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.517 7.910 7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.188 7.722 7.883 1.00 0.00 H new ATOM 1442 N PRO A 105 9.537 4.961 6.878 1.00 0.00 N ATOM 1443 CA PRO A 105 10.821 4.262 7.121 1.00 0.00 C ATOM 1444 C PRO A 105 10.761 2.855 6.519 1.00 0.00 C ATOM 1445 O PRO A 105 10.256 1.904 7.117 1.00 0.00 O ATOM 1446 CB PRO A 105 10.982 4.277 8.645 1.00 0.00 C ATOM 1447 CG PRO A 105 9.553 4.245 9.172 1.00 0.00 C ATOM 1448 CD PRO A 105 8.731 4.990 8.115 1.00 0.00 C ATOM 0 HA PRO A 105 11.684 4.733 6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.554 3.417 8.993 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.510 5.169 8.981 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.201 3.221 9.298 1.00 0.00 H new ATOM 0 HG3 PRO A 105 9.479 4.730 10.145 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.765 4.510 7.962 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.532 6.015 8.427 1.00 0.00 H new ATOM 1456 N LYS A 106 11.313 2.758 5.315 1.00 0.00 N ATOM 1457 CA LYS A 106 11.329 1.534 4.474 1.00 0.00 C ATOM 1458 C LYS A 106 11.569 0.226 5.262 1.00 0.00 C ATOM 1459 O LYS A 106 10.756 -0.696 5.195 1.00 0.00 O ATOM 1460 CB LYS A 106 12.349 1.690 3.354 1.00 0.00 C ATOM 1461 CG LYS A 106 12.173 0.566 2.329 1.00 0.00 C ATOM 1462 CD LYS A 106 12.988 0.849 1.070 1.00 0.00 C ATOM 1463 CE LYS A 106 12.724 -0.225 0.009 1.00 0.00 C ATOM 1464 NZ LYS A 106 11.335 -0.109 -0.471 1.00 0.00 N ATOM 0 H LYS A 106 11.781 3.547 4.869 1.00 0.00 H new ATOM 0 HA LYS A 106 10.328 1.435 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.225 2.659 2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.359 1.666 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.486 -0.382 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.119 0.465 2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.729 1.831 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 106 14.050 0.874 1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.419 -0.108 -0.823 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.893 -1.216 0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.170 -0.804 -1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.680 -0.291 0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.174 0.850 -0.841 1.00 0.00 H new ATOM 1478 N SER A 107 12.570 0.235 6.123 1.00 0.00 N ATOM 1479 CA SER A 107 12.960 -0.940 6.938 1.00 0.00 C ATOM 1480 C SER A 107 11.873 -1.463 7.890 1.00 0.00 C ATOM 1481 O SER A 107 11.685 -2.674 7.999 1.00 0.00 O ATOM 1482 CB SER A 107 14.237 -0.616 7.712 1.00 0.00 C ATOM 1483 OG SER A 107 14.071 0.633 8.400 1.00 0.00 O ATOM 0 H SER A 107 13.151 1.057 6.290 1.00 0.00 H new ATOM 0 HA SER A 107 13.125 -1.754 6.232 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.455 -1.411 8.425 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.085 -0.558 7.029 1.00 0.00 H new ATOM 0 HG SER A 107 14.888 0.843 8.899 1.00 0.00 H new ATOM 1489 N THR A 108 11.131 -0.551 8.510 1.00 0.00 N ATOM 1490 CA THR A 108 9.966 -0.859 9.368 1.00 0.00 C ATOM 1491 C THR A 108 8.857 -1.583 8.615 1.00 0.00 C ATOM 1492 O THR A 108 8.308 -2.574 9.073 1.00 0.00 O ATOM 1493 CB THR A 108 9.441 0.473 9.941 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.544 1.194 10.491 1.00 0.00 O ATOM 1495 CG2 THR A 108 8.304 0.310 10.948 1.00 0.00 C ATOM 0 H THR A 108 11.318 0.449 8.435 1.00 0.00 H new ATOM 0 HA THR A 108 10.284 -1.534 10.163 1.00 0.00 H new ATOM 0 HB THR A 108 8.993 1.038 9.124 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.228 2.046 10.859 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.990 1.291 11.305 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.462 -0.188 10.468 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.648 -0.290 11.791 1.00 0.00 H new ATOM 1503 N LEU A 109 8.582 -1.062 7.421 1.00 0.00 N ATOM 1504 CA LEU A 109 7.665 -1.650 6.434 1.00 0.00 C ATOM 1505 C LEU A 109 8.073 -3.093 6.140 1.00 0.00 C ATOM 1506 O LEU A 109 7.332 -3.992 6.524 1.00 0.00 O ATOM 1507 CB LEU A 109 7.652 -0.813 5.152 1.00 0.00 C ATOM 1508 CG LEU A 109 6.775 0.429 5.288 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.360 1.562 6.148 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.499 0.998 3.900 1.00 0.00 C ATOM 0 H LEU A 109 9.003 -0.190 7.099 1.00 0.00 H new ATOM 0 HA LEU A 109 6.655 -1.653 6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.670 -0.512 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.290 -1.423 4.324 1.00 0.00 H new ATOM 0 HG LEU A 109 5.876 0.085 5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.658 2.395 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.535 1.197 7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.303 1.898 5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.873 1.886 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.442 1.265 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.985 0.250 3.296 1.00 0.00 H new ATOM 1522 N THR A 110 9.366 -3.294 5.871 1.00 0.00 N ATOM 1523 CA THR A 110 9.892 -4.646 5.554 1.00 0.00 C ATOM 1524 C THR A 110 9.732 -5.632 6.728 1.00 0.00 C ATOM 1525 O THR A 110 9.129 -6.696 6.601 1.00 0.00 O ATOM 1526 CB THR A 110 11.324 -4.685 5.038 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.557 -3.547 4.201 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.462 -5.957 4.210 1.00 0.00 C ATOM 0 H THR A 110 10.069 -2.555 5.863 1.00 0.00 H new ATOM 0 HA THR A 110 9.262 -4.966 4.724 1.00 0.00 H new ATOM 0 HB THR A 110 12.040 -4.670 5.860 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.060 -3.823 3.407 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.477 -6.028 3.818 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.254 -6.824 4.837 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.754 -5.931 3.382 1.00 0.00 H new ATOM 1536 N ASP A 111 10.103 -5.103 7.879 1.00 0.00 N ATOM 1537 CA ASP A 111 9.983 -5.753 9.192 1.00 0.00 C ATOM 1538 C ASP A 111 8.540 -6.279 9.404 1.00 0.00 C ATOM 1539 O ASP A 111 8.334 -7.495 9.453 1.00 0.00 O ATOM 1540 CB ASP A 111 10.343 -4.650 10.185 1.00 0.00 C ATOM 1541 CG ASP A 111 10.661 -5.119 11.617 1.00 0.00 C ATOM 1542 OD1 ASP A 111 10.779 -6.345 11.829 1.00 0.00 O ATOM 1543 OD2 ASP A 111 10.788 -4.221 12.470 1.00 0.00 O ATOM 0 H ASP A 111 10.514 -4.171 7.938 1.00 0.00 H new ATOM 0 HA ASP A 111 10.630 -6.623 9.304 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.206 -4.107 9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.515 -3.942 10.229 1.00 0.00 H new ATOM 1549 N SER A 112 7.596 -5.379 9.152 1.00 0.00 N ATOM 1550 CA SER A 112 6.145 -5.639 9.282 1.00 0.00 C ATOM 1551 C SER A 112 5.510 -6.759 8.470 1.00 0.00 C ATOM 1552 O SER A 112 4.597 -7.402 8.983 1.00 0.00 O ATOM 1553 CB SER A 112 5.320 -4.363 9.089 1.00 0.00 C ATOM 1554 OG SER A 112 5.423 -3.479 10.216 1.00 0.00 O ATOM 0 H SER A 112 7.809 -4.429 8.846 1.00 0.00 H new ATOM 0 HA SER A 112 6.111 -6.013 10.305 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.657 -3.846 8.191 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.275 -4.628 8.931 1.00 0.00 H new ATOM 0 HG SER A 112 6.275 -2.997 10.177 1.00 0.00 H new ATOM 1560 N ILE A 113 5.993 -7.009 7.254 1.00 0.00 N ATOM 1561 CA ILE A 113 5.472 -8.154 6.472 1.00 0.00 C ATOM 1562 C ILE A 113 6.068 -9.470 6.973 1.00 0.00 C ATOM 1563 O ILE A 113 5.384 -10.445 7.305 1.00 0.00 O ATOM 1564 CB ILE A 113 5.703 -8.247 4.967 1.00 0.00 C ATOM 1565 CG1 ILE A 113 6.938 -7.533 4.446 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.413 -8.020 4.183 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.772 -6.032 4.338 1.00 0.00 C ATOM 0 H ILE A 113 6.719 -6.462 6.792 1.00 0.00 H new ATOM 0 HA ILE A 113 4.408 -7.977 6.628 1.00 0.00 H new ATOM 0 HB ILE A 113 5.982 -9.282 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.778 -7.750 5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.192 -7.933 3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.618 -8.094 3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.679 -8.775 4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.020 -7.029 4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.694 -5.590 3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.953 -5.805 3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.549 -5.619 5.322 1.00 0.00 H new ATOM 1579 N GLU A 114 7.392 -9.412 7.033 1.00 0.00 N ATOM 1580 CA GLU A 114 8.266 -10.562 7.324 1.00 0.00 C ATOM 1581 C GLU A 114 7.958 -11.185 8.696 1.00 0.00 C ATOM 1582 O GLU A 114 7.788 -12.391 8.792 1.00 0.00 O ATOM 1583 CB GLU A 114 9.722 -10.155 7.153 1.00 0.00 C ATOM 1584 CG GLU A 114 9.911 -9.643 5.719 1.00 0.00 C ATOM 1585 CD GLU A 114 11.389 -9.356 5.424 1.00 0.00 C ATOM 1586 OE1 GLU A 114 11.937 -8.426 6.068 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.929 -10.046 4.528 1.00 0.00 O ATOM 0 H GLU A 114 7.909 -8.547 6.878 1.00 0.00 H new ATOM 0 HA GLU A 114 8.064 -11.356 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.987 -9.379 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.379 -11.004 7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.533 -10.383 5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.325 -8.735 5.574 1.00 0.00 H new ATOM 1595 N LYS A 115 7.513 -10.298 9.572 1.00 0.00 N ATOM 1596 CA LYS A 115 6.921 -10.558 10.894 1.00 0.00 C ATOM 1597 C LYS A 115 5.923 -11.726 10.912 1.00 0.00 C ATOM 1598 O LYS A 115 5.948 -12.559 11.820 1.00 0.00 O ATOM 1599 CB LYS A 115 6.219 -9.224 11.177 1.00 0.00 C ATOM 1600 CG LYS A 115 5.591 -9.164 12.570 1.00 0.00 C ATOM 1601 CD LYS A 115 4.725 -7.910 12.736 1.00 0.00 C ATOM 1602 CE LYS A 115 5.487 -6.569 12.747 1.00 0.00 C ATOM 1603 NZ LYS A 115 6.313 -6.420 13.950 1.00 0.00 N ATOM 0 H LYS A 115 7.555 -9.299 9.371 1.00 0.00 H new ATOM 0 HA LYS A 115 7.663 -10.859 11.633 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.939 -8.412 11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.444 -9.061 10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.983 -10.053 12.736 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.376 -9.169 13.326 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.995 -7.885 11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.166 -7.997 13.668 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.120 -6.503 11.862 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.775 -5.746 12.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.809 -5.506 13.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.707 -6.457 14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.010 -7.191 13.990 1.00 0.00 H new ATOM 1617 N TYR A 116 5.108 -11.798 9.860 1.00 0.00 N ATOM 1618 CA TYR A 116 4.049 -12.813 9.723 1.00 0.00 C ATOM 1619 C TYR A 116 4.190 -13.819 8.560 1.00 0.00 C ATOM 1620 O TYR A 116 4.047 -15.012 8.797 1.00 0.00 O ATOM 1621 CB TYR A 116 2.669 -12.139 9.743 1.00 0.00 C ATOM 1622 CG TYR A 116 2.411 -11.156 8.593 1.00 0.00 C ATOM 1623 CD1 TYR A 116 1.890 -11.689 7.389 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.535 -9.766 8.796 1.00 0.00 C ATOM 1625 CE1 TYR A 116 1.521 -10.828 6.355 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.146 -8.892 7.764 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.662 -9.442 6.546 1.00 0.00 C ATOM 1628 OH TYR A 116 1.368 -8.636 5.497 1.00 0.00 O ATOM 0 H TYR A 116 5.159 -11.153 9.071 1.00 0.00 H new ATOM 0 HA TYR A 116 4.168 -13.455 10.596 1.00 0.00 H new ATOM 0 HB2 TYR A 116 1.903 -12.914 9.718 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.554 -11.608 10.688 1.00 0.00 H new ATOM 0 HD1 TYR A 116 1.779 -12.757 7.272 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.922 -9.379 9.727 1.00 0.00 H new ATOM 0 HE1 TYR A 116 1.134 -11.219 5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.214 -7.822 7.895 1.00 0.00 H new ATOM 0 HH TYR A 116 0.433 -8.769 5.234 1.00 0.00 H new ATOM 1638 N LEU A 117 4.513 -13.352 7.351 1.00 0.00 N ATOM 1639 CA LEU A 117 4.582 -14.239 6.152 1.00 0.00 C ATOM 1640 C LEU A 117 5.896 -15.011 5.911 1.00 0.00 C ATOM 1641 O LEU A 117 6.029 -15.778 4.958 1.00 0.00 O ATOM 1642 CB LEU A 117 4.163 -13.514 4.862 1.00 0.00 C ATOM 1643 CG LEU A 117 4.873 -12.192 4.483 1.00 0.00 C ATOM 1644 CD1 LEU A 117 6.386 -12.283 4.314 1.00 0.00 C ATOM 1645 CD2 LEU A 117 4.205 -11.714 3.187 1.00 0.00 C ATOM 0 H LEU A 117 4.732 -12.374 7.161 1.00 0.00 H new ATOM 0 HA LEU A 117 3.856 -15.009 6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.298 -14.210 4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.095 -13.306 4.933 1.00 0.00 H new ATOM 0 HG LEU A 117 4.759 -11.491 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.782 -11.303 4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.837 -12.616 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.622 -12.995 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 117 4.664 -10.779 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.335 -12.468 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.141 -11.554 3.363 1.00 0.00 H new