USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=25 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 84 SER OG : rot 78:sc= 0.388 USER MOD Set 1.2: A 87 THR OG1 : rot 57:sc= 1.63 USER MOD Set 2.1: A 34 MET CE :methyl -126:sc= -5.72! (180deg=-9.91!) USER MOD Set 2.2: A 59 TYR OH : rot 165:sc= -3.83! USER MOD Set 3.1: A 23 LYS NZ :NH3+ -171:sc= -0.0666 (180deg=-0.278) USER MOD Set 3.2: A 79 GLN : amide:sc= 1.12 K(o=2,f=0.97) USER MOD Set 3.3: A 80 TYR OH : rot 60:sc= 0.945 USER MOD Single : A 15 GLN : amide:sc= -0.283 K(o=-0.28,f=-2.3!) USER MOD Single : A 18 ASN : amide:sc= -1.04 K(o=-1,f=-2.9!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -83:sc= 0.0359 USER MOD Single : A 29 SER OG : rot 12:sc= 1.2 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.223) USER MOD Single : A 66 TYR OH : rot -162:sc= 0.0583 USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= -0.189 (180deg=-0.842) USER MOD Single : A 69 ASN : amide:sc= 0.636 K(o=0.64,f=-4.1!) USER MOD Single : A 70 THR OG1 : rot -69:sc= 0.569 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -165:sc=-0.00215 (180deg=-0.2) USER MOD Single : A 93 ASN : amide:sc= 0.734 K(o=0.73,f=-1.3) USER MOD Single : A 97 LYS NZ :NH3+ -125:sc= 1.39 (180deg=1.1) USER MOD Single : A 99 SER OG : rot 160:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -158:sc= -0.133 (180deg=-0.918) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0571 USER MOD Single : A 108 THR OG1 : rot -160:sc= 0 USER MOD Single : A 110 THR OG1 : rot -118:sc= 1.21 USER MOD Single : A 112 SER OG : rot 138:sc= 1.71 USER MOD Single : A 115 LYS NZ :NH3+ -167:sc=-0.00615 (180deg=-0.189) USER MOD Single : A 116 TYR OH : rot -124:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -2.408 -4.084 -9.192 1.00 0.00 N ATOM 2 CA VAL A 14 -3.812 -3.861 -9.529 1.00 0.00 C ATOM 3 C VAL A 14 -3.939 -2.737 -10.572 1.00 0.00 C ATOM 4 O VAL A 14 -3.079 -1.859 -10.666 1.00 0.00 O ATOM 5 CB VAL A 14 -4.526 -3.512 -8.197 1.00 0.00 C ATOM 6 CG1 VAL A 14 -4.110 -2.149 -7.623 1.00 0.00 C ATOM 7 CG2 VAL A 14 -6.047 -3.652 -8.315 1.00 0.00 C ATOM 0 HA VAL A 14 -4.270 -4.741 -9.980 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.188 -4.250 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.646 -1.967 -6.692 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.037 -2.148 -7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.351 -1.364 -8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.511 -3.399 -7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.416 -2.978 -9.088 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.298 -4.679 -8.579 1.00 0.00 H new ATOM 17 N GLN A 15 -5.038 -2.763 -11.317 1.00 0.00 N ATOM 18 CA GLN A 15 -5.459 -1.659 -12.200 1.00 0.00 C ATOM 19 C GLN A 15 -6.221 -0.628 -11.344 1.00 0.00 C ATOM 20 O GLN A 15 -7.422 -0.432 -11.475 1.00 0.00 O ATOM 21 CB GLN A 15 -6.352 -2.171 -13.340 1.00 0.00 C ATOM 22 CG GLN A 15 -5.671 -3.095 -14.345 1.00 0.00 C ATOM 23 CD GLN A 15 -5.309 -4.484 -13.783 1.00 0.00 C ATOM 24 OE1 GLN A 15 -5.886 -5.014 -12.850 1.00 0.00 O ATOM 25 NE2 GLN A 15 -4.275 -5.056 -14.350 1.00 0.00 N ATOM 0 H GLN A 15 -5.677 -3.558 -11.332 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.582 -1.201 -12.657 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.200 -2.699 -12.904 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.753 -1.312 -13.877 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.327 -3.224 -15.206 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.762 -2.614 -14.706 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.803 -4.599 -15.130 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.942 -5.959 -14.011 1.00 0.00 H new ATOM 34 N ASP A 16 -5.463 -0.040 -10.427 1.00 0.00 N ATOM 35 CA ASP A 16 -5.934 0.897 -9.379 1.00 0.00 C ATOM 36 C ASP A 16 -6.991 0.266 -8.463 1.00 0.00 C ATOM 37 O ASP A 16 -8.095 -0.108 -8.866 1.00 0.00 O ATOM 38 CB ASP A 16 -6.439 2.226 -9.970 1.00 0.00 C ATOM 39 CG ASP A 16 -6.105 3.414 -9.070 1.00 0.00 C ATOM 40 OD1 ASP A 16 -5.523 4.368 -9.621 1.00 0.00 O ATOM 41 OD2 ASP A 16 -6.391 3.332 -7.850 1.00 0.00 O ATOM 0 H ASP A 16 -4.457 -0.201 -10.379 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.063 1.121 -8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.993 2.379 -10.953 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.518 2.172 -10.114 1.00 0.00 H new ATOM 47 N VAL A 17 -6.608 0.153 -7.202 1.00 0.00 N ATOM 48 CA VAL A 17 -7.499 -0.489 -6.207 1.00 0.00 C ATOM 49 C VAL A 17 -8.513 0.534 -5.658 1.00 0.00 C ATOM 50 O VAL A 17 -8.198 1.680 -5.347 1.00 0.00 O ATOM 51 CB VAL A 17 -6.684 -1.318 -5.192 1.00 0.00 C ATOM 52 CG1 VAL A 17 -5.880 -0.509 -4.175 1.00 0.00 C ATOM 53 CG2 VAL A 17 -7.556 -2.365 -4.507 1.00 0.00 C ATOM 0 H VAL A 17 -5.715 0.482 -6.835 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.135 -1.244 -6.669 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.927 -1.819 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.346 -1.188 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.164 0.125 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.556 0.114 -3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.954 -2.933 -3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.370 -1.870 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.969 -3.041 -5.256 1.00 0.00 H new ATOM 63 N ASN A 18 -9.754 0.126 -5.890 1.00 0.00 N ATOM 64 CA ASN A 18 -10.984 0.873 -5.578 1.00 0.00 C ATOM 65 C ASN A 18 -11.861 -0.092 -4.767 1.00 0.00 C ATOM 66 O ASN A 18 -11.684 -1.299 -4.873 1.00 0.00 O ATOM 67 CB ASN A 18 -11.649 1.212 -6.914 1.00 0.00 C ATOM 68 CG ASN A 18 -12.895 2.092 -6.792 1.00 0.00 C ATOM 69 OD1 ASN A 18 -13.976 1.666 -6.399 1.00 0.00 O ATOM 70 ND2 ASN A 18 -12.747 3.354 -7.114 1.00 0.00 N ATOM 0 H ASN A 18 -9.949 -0.777 -6.322 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.813 1.792 -5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.922 1.717 -7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.922 0.284 -7.417 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.537 3.995 -7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.842 3.695 -7.439 1.00 0.00 H new ATOM 77 N ASP A 19 -12.906 0.439 -4.140 1.00 0.00 N ATOM 78 CA ASP A 19 -13.908 -0.349 -3.375 1.00 0.00 C ATOM 79 C ASP A 19 -14.340 -1.662 -4.031 1.00 0.00 C ATOM 80 O ASP A 19 -14.263 -2.724 -3.407 1.00 0.00 O ATOM 81 CB ASP A 19 -15.168 0.500 -3.122 1.00 0.00 C ATOM 82 CG ASP A 19 -14.976 1.560 -2.036 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.461 1.326 -0.904 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.334 2.589 -2.332 1.00 0.00 O ATOM 0 H ASP A 19 -13.097 1.441 -4.140 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.400 -0.615 -2.448 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.460 0.990 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.989 -0.157 -2.837 1.00 0.00 H new ATOM 90 N SER A 20 -14.584 -1.601 -5.339 1.00 0.00 N ATOM 91 CA SER A 20 -14.993 -2.779 -6.120 1.00 0.00 C ATOM 92 C SER A 20 -13.881 -3.835 -6.278 1.00 0.00 C ATOM 93 O SER A 20 -14.034 -4.942 -5.744 1.00 0.00 O ATOM 94 CB SER A 20 -15.666 -2.373 -7.437 1.00 0.00 C ATOM 95 OG SER A 20 -14.771 -2.163 -8.524 1.00 0.00 O ATOM 0 H SER A 20 -14.506 -0.745 -5.888 1.00 0.00 H new ATOM 0 HA SER A 20 -15.754 -3.296 -5.535 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.381 -3.147 -7.717 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.235 -1.458 -7.271 1.00 0.00 H new ATOM 0 HG SER A 20 -15.280 -1.910 -9.322 1.00 0.00 H new ATOM 101 N SER A 21 -12.704 -3.445 -6.765 1.00 0.00 N ATOM 102 CA SER A 21 -11.539 -4.368 -6.823 1.00 0.00 C ATOM 103 C SER A 21 -11.017 -4.798 -5.457 1.00 0.00 C ATOM 104 O SER A 21 -10.667 -5.956 -5.299 1.00 0.00 O ATOM 105 CB SER A 21 -10.347 -3.855 -7.632 1.00 0.00 C ATOM 106 OG SER A 21 -9.999 -2.500 -7.293 1.00 0.00 O ATOM 0 H SER A 21 -12.518 -2.509 -7.125 1.00 0.00 H new ATOM 0 HA SER A 21 -11.970 -5.225 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.488 -4.503 -7.459 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.580 -3.913 -8.695 1.00 0.00 H new ATOM 0 HG SER A 21 -10.574 -1.881 -7.789 1.00 0.00 H new ATOM 112 N TRP A 22 -11.139 -3.938 -4.442 1.00 0.00 N ATOM 113 CA TRP A 22 -10.690 -4.196 -3.062 1.00 0.00 C ATOM 114 C TRP A 22 -11.245 -5.512 -2.500 1.00 0.00 C ATOM 115 O TRP A 22 -10.499 -6.431 -2.165 1.00 0.00 O ATOM 116 CB TRP A 22 -11.155 -3.028 -2.203 1.00 0.00 C ATOM 117 CG TRP A 22 -10.631 -3.127 -0.777 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.224 -3.733 0.239 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.424 -2.642 -0.334 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.448 -3.657 1.328 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.332 -3.009 1.027 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.380 -1.945 -0.967 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.188 -2.676 1.777 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.234 -1.626 -0.220 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.143 -1.993 1.140 1.00 0.00 C ATOM 0 H TRP A 22 -11.563 -3.017 -4.556 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.604 -4.291 -3.055 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.818 -2.092 -2.649 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.245 -3.000 -2.188 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.189 -4.216 0.196 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.680 -4.038 2.245 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.457 -1.661 -2.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.117 -2.941 2.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.418 -1.097 -0.689 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.253 -1.743 1.699 1.00 0.00 H new ATOM 136 N LYS A 23 -12.550 -5.640 -2.625 1.00 0.00 N ATOM 137 CA LYS A 23 -13.306 -6.785 -2.098 1.00 0.00 C ATOM 138 C LYS A 23 -13.008 -8.131 -2.784 1.00 0.00 C ATOM 139 O LYS A 23 -13.238 -9.196 -2.220 1.00 0.00 O ATOM 140 CB LYS A 23 -14.798 -6.431 -2.067 1.00 0.00 C ATOM 141 CG LYS A 23 -14.946 -5.300 -1.056 1.00 0.00 C ATOM 142 CD LYS A 23 -16.337 -4.665 -1.065 1.00 0.00 C ATOM 143 CE LYS A 23 -16.405 -3.509 -0.055 1.00 0.00 C ATOM 144 NZ LYS A 23 -16.256 -4.027 1.314 1.00 0.00 N ATOM 0 H LYS A 23 -13.133 -4.950 -3.099 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.962 -6.961 -1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.145 -6.120 -3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.397 -7.294 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.735 -5.683 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.201 -4.532 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.569 -4.297 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.088 -5.416 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.619 -2.784 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.356 -2.985 -0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.454 -3.267 1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.924 -4.810 1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.284 -4.371 1.451 1.00 0.00 H new ATOM 158 N GLU A 24 -12.322 -8.014 -3.917 1.00 0.00 N ATOM 159 CA GLU A 24 -11.823 -9.163 -4.695 1.00 0.00 C ATOM 160 C GLU A 24 -10.306 -9.310 -4.508 1.00 0.00 C ATOM 161 O GLU A 24 -9.896 -9.940 -3.550 1.00 0.00 O ATOM 162 CB GLU A 24 -12.227 -8.967 -6.156 1.00 0.00 C ATOM 163 CG GLU A 24 -13.750 -8.852 -6.233 1.00 0.00 C ATOM 164 CD GLU A 24 -14.234 -8.529 -7.649 1.00 0.00 C ATOM 165 OE1 GLU A 24 -14.176 -9.445 -8.490 1.00 0.00 O ATOM 166 OE2 GLU A 24 -14.653 -7.366 -7.855 1.00 0.00 O ATOM 0 H GLU A 24 -12.090 -7.112 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.265 -10.095 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.759 -8.069 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.881 -9.806 -6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.201 -9.787 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.089 -8.074 -5.549 1.00 0.00 H new ATOM 174 N PHE A 25 -9.568 -8.334 -5.018 1.00 0.00 N ATOM 175 CA PHE A 25 -8.082 -8.328 -5.042 1.00 0.00 C ATOM 176 C PHE A 25 -7.342 -8.364 -3.703 1.00 0.00 C ATOM 177 O PHE A 25 -6.239 -8.893 -3.609 1.00 0.00 O ATOM 178 CB PHE A 25 -7.604 -7.123 -5.847 1.00 0.00 C ATOM 179 CG PHE A 25 -7.575 -7.405 -7.347 1.00 0.00 C ATOM 180 CD1 PHE A 25 -8.752 -7.219 -8.111 1.00 0.00 C ATOM 181 CD2 PHE A 25 -6.341 -7.707 -7.951 1.00 0.00 C ATOM 182 CE1 PHE A 25 -8.683 -7.330 -9.522 1.00 0.00 C ATOM 183 CE2 PHE A 25 -6.266 -7.825 -9.359 1.00 0.00 C ATOM 184 CZ PHE A 25 -7.438 -7.623 -10.127 1.00 0.00 C ATOM 0 H PHE A 25 -9.978 -7.500 -5.439 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.827 -9.285 -5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.260 -6.275 -5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.606 -6.838 -5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.690 -6.995 -7.625 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.458 -7.848 -7.345 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.567 -7.193 -10.126 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.329 -8.065 -9.840 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.380 -7.694 -11.203 1.00 0.00 H new ATOM 194 N VAL A 26 -8.004 -7.803 -2.710 1.00 0.00 N ATOM 195 CA VAL A 26 -7.455 -7.609 -1.345 1.00 0.00 C ATOM 196 C VAL A 26 -8.221 -8.474 -0.321 1.00 0.00 C ATOM 197 O VAL A 26 -7.612 -9.076 0.564 1.00 0.00 O ATOM 198 CB VAL A 26 -7.502 -6.115 -0.922 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.787 -5.893 0.409 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.838 -5.202 -1.951 1.00 0.00 C ATOM 0 H VAL A 26 -8.958 -7.456 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.412 -7.924 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.560 -5.867 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.837 -4.838 0.678 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.269 -6.488 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.744 -6.194 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.896 -4.168 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.793 -5.487 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.351 -5.299 -2.908 1.00 0.00 H new ATOM 210 N LEU A 27 -9.551 -8.479 -0.421 1.00 0.00 N ATOM 211 CA LEU A 27 -10.351 -9.248 0.537 1.00 0.00 C ATOM 212 C LEU A 27 -10.641 -10.703 0.129 1.00 0.00 C ATOM 213 O LEU A 27 -10.759 -11.549 1.009 1.00 0.00 O ATOM 214 CB LEU A 27 -11.656 -8.537 0.950 1.00 0.00 C ATOM 215 CG LEU A 27 -11.463 -7.093 1.435 1.00 0.00 C ATOM 216 CD1 LEU A 27 -12.813 -6.570 1.945 1.00 0.00 C ATOM 217 CD2 LEU A 27 -10.418 -6.900 2.536 1.00 0.00 C ATOM 0 H LEU A 27 -10.085 -7.977 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.697 -9.301 1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.339 -8.534 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.135 -9.113 1.742 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.086 -6.539 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.697 -5.544 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.543 -6.597 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.159 -7.197 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.362 -5.845 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.701 -7.482 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.445 -7.235 2.177 1.00 0.00 H new ATOM 229 N GLU A 28 -10.656 -10.974 -1.168 1.00 0.00 N ATOM 230 CA GLU A 28 -11.011 -12.319 -1.679 1.00 0.00 C ATOM 231 C GLU A 28 -10.204 -12.791 -2.900 1.00 0.00 C ATOM 232 O GLU A 28 -10.743 -13.360 -3.849 1.00 0.00 O ATOM 233 CB GLU A 28 -12.520 -12.326 -1.975 1.00 0.00 C ATOM 234 CG GLU A 28 -13.295 -12.897 -0.789 1.00 0.00 C ATOM 235 CD GLU A 28 -13.117 -14.413 -0.716 1.00 0.00 C ATOM 236 OE1 GLU A 28 -12.144 -14.861 -0.072 1.00 0.00 O ATOM 237 OE2 GLU A 28 -13.972 -15.100 -1.322 1.00 0.00 O ATOM 0 H GLU A 28 -10.430 -10.294 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.749 -13.039 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.860 -11.312 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.719 -12.920 -2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.946 -12.439 0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.353 -12.653 -0.886 1.00 0.00 H new ATOM 245 N SER A 29 -8.872 -12.696 -2.777 1.00 0.00 N ATOM 246 CA SER A 29 -7.916 -12.973 -3.870 1.00 0.00 C ATOM 247 C SER A 29 -6.479 -12.742 -3.426 1.00 0.00 C ATOM 248 O SER A 29 -6.202 -12.001 -2.485 1.00 0.00 O ATOM 249 CB SER A 29 -8.124 -12.111 -5.118 1.00 0.00 C ATOM 250 OG SER A 29 -9.259 -12.579 -5.856 1.00 0.00 O ATOM 0 H SER A 29 -8.418 -12.421 -1.906 1.00 0.00 H new ATOM 0 HA SER A 29 -8.103 -14.017 -4.120 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.272 -11.070 -4.830 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.233 -12.145 -5.745 1.00 0.00 H new ATOM 0 HG SER A 29 -9.763 -13.218 -5.310 1.00 0.00 H new ATOM 256 N GLU A 30 -5.596 -13.482 -4.115 1.00 0.00 N ATOM 257 CA GLU A 30 -4.123 -13.552 -3.952 1.00 0.00 C ATOM 258 C GLU A 30 -3.655 -14.190 -2.632 1.00 0.00 C ATOM 259 O GLU A 30 -2.864 -15.127 -2.631 1.00 0.00 O ATOM 260 CB GLU A 30 -3.439 -12.197 -4.182 1.00 0.00 C ATOM 261 CG GLU A 30 -3.390 -11.740 -5.646 1.00 0.00 C ATOM 262 CD GLU A 30 -4.761 -11.508 -6.289 1.00 0.00 C ATOM 263 OE1 GLU A 30 -5.452 -10.557 -5.851 1.00 0.00 O ATOM 264 OE2 GLU A 30 -5.136 -12.357 -7.122 1.00 0.00 O ATOM 0 H GLU A 30 -5.913 -14.099 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.802 -14.232 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.960 -11.439 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.420 -12.251 -3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.815 -10.816 -5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.852 -12.488 -6.228 1.00 0.00 H new ATOM 272 N VAL A 31 -4.380 -13.787 -1.602 1.00 0.00 N ATOM 273 CA VAL A 31 -4.307 -14.127 -0.162 1.00 0.00 C ATOM 274 C VAL A 31 -3.335 -13.201 0.616 1.00 0.00 C ATOM 275 O VAL A 31 -3.872 -12.286 1.240 1.00 0.00 O ATOM 276 CB VAL A 31 -4.366 -15.637 0.160 1.00 0.00 C ATOM 277 CG1 VAL A 31 -4.328 -15.916 1.661 1.00 0.00 C ATOM 278 CG2 VAL A 31 -5.653 -16.245 -0.404 1.00 0.00 C ATOM 0 H VAL A 31 -5.139 -13.125 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.257 -13.861 0.300 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.486 -16.087 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.372 -16.992 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.404 -15.519 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.181 -15.437 2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.685 -17.309 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.515 -15.750 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.676 -16.109 -1.485 1.00 0.00 H new ATOM 288 N PRO A 32 -1.987 -13.275 0.533 1.00 0.00 N ATOM 289 CA PRO A 32 -1.123 -12.288 1.207 1.00 0.00 C ATOM 290 C PRO A 32 -1.078 -11.031 0.333 1.00 0.00 C ATOM 291 O PRO A 32 -0.646 -11.061 -0.823 1.00 0.00 O ATOM 292 CB PRO A 32 0.254 -12.944 1.336 1.00 0.00 C ATOM 293 CG PRO A 32 0.103 -14.345 0.766 1.00 0.00 C ATOM 294 CD PRO A 32 -1.141 -14.297 -0.115 1.00 0.00 C ATOM 0 HA PRO A 32 -1.482 -11.998 2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.009 -12.379 0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.574 -12.978 2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.982 -14.630 0.188 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -0.008 -15.082 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.895 -14.022 -1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.641 -15.265 -0.155 1.00 0.00 H new ATOM 302 N VAL A 33 -1.666 -9.966 0.854 1.00 0.00 N ATOM 303 CA VAL A 33 -1.862 -8.716 0.093 1.00 0.00 C ATOM 304 C VAL A 33 -1.390 -7.502 0.904 1.00 0.00 C ATOM 305 O VAL A 33 -1.752 -7.332 2.066 1.00 0.00 O ATOM 306 CB VAL A 33 -3.349 -8.576 -0.323 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.563 -7.345 -1.207 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.871 -9.795 -1.111 1.00 0.00 C ATOM 0 H VAL A 33 -2.023 -9.931 1.809 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.256 -8.757 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.899 -8.489 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.615 -7.273 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.269 -6.449 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.957 -7.435 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.917 -9.638 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.283 -9.919 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.782 -10.691 -0.496 1.00 0.00 H new ATOM 318 N MET A 34 -0.697 -6.641 0.179 1.00 0.00 N ATOM 319 CA MET A 34 -0.170 -5.366 0.667 1.00 0.00 C ATOM 320 C MET A 34 -0.819 -4.208 -0.109 1.00 0.00 C ATOM 321 O MET A 34 -0.899 -4.211 -1.334 1.00 0.00 O ATOM 322 CB MET A 34 1.345 -5.353 0.417 1.00 0.00 C ATOM 323 CG MET A 34 1.968 -4.020 0.847 1.00 0.00 C ATOM 324 SD MET A 34 3.790 -4.001 0.700 1.00 0.00 S ATOM 325 CE MET A 34 4.134 -5.177 1.995 1.00 0.00 C ATOM 0 H MET A 34 -0.475 -6.811 -0.802 1.00 0.00 H new ATOM 0 HA MET A 34 -0.387 -5.250 1.729 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.814 -6.170 0.966 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.543 -5.525 -0.641 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.552 -3.218 0.238 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.690 -3.812 1.880 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.834 -4.740 2.707 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.208 -5.434 2.509 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.571 -6.077 1.562 1.00 0.00 H new ATOM 335 N VAL A 35 -1.127 -3.174 0.659 1.00 0.00 N ATOM 336 CA VAL A 35 -1.661 -1.933 0.078 1.00 0.00 C ATOM 337 C VAL A 35 -1.034 -0.664 0.656 1.00 0.00 C ATOM 338 O VAL A 35 -0.956 -0.466 1.869 1.00 0.00 O ATOM 339 CB VAL A 35 -3.199 -1.961 0.158 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.691 -2.044 1.613 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.823 -0.763 -0.565 1.00 0.00 C ATOM 0 H VAL A 35 -1.022 -3.160 1.673 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.374 -1.892 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.528 -2.865 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.781 -2.062 1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.307 -2.953 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.334 -1.176 2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.909 -0.817 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.472 0.162 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.533 -0.781 -1.616 1.00 0.00 H new ATOM 351 N ASP A 36 -0.737 0.226 -0.282 1.00 0.00 N ATOM 352 CA ASP A 36 -0.302 1.606 0.005 1.00 0.00 C ATOM 353 C ASP A 36 -1.459 2.568 -0.254 1.00 0.00 C ATOM 354 O ASP A 36 -2.234 2.409 -1.206 1.00 0.00 O ATOM 355 CB ASP A 36 0.928 2.014 -0.809 1.00 0.00 C ATOM 356 CG ASP A 36 0.692 2.155 -2.320 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.896 1.142 -3.021 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.369 3.275 -2.752 1.00 0.00 O ATOM 0 H ASP A 36 -0.789 0.017 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.011 1.651 1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.300 2.964 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.713 1.275 -0.647 1.00 0.00 H new ATOM 364 N PHE A 37 -1.564 3.515 0.668 1.00 0.00 N ATOM 365 CA PHE A 37 -2.537 4.622 0.621 1.00 0.00 C ATOM 366 C PHE A 37 -1.817 5.961 0.489 1.00 0.00 C ATOM 367 O PHE A 37 -0.872 6.236 1.232 1.00 0.00 O ATOM 368 CB PHE A 37 -3.357 4.705 1.906 1.00 0.00 C ATOM 369 CG PHE A 37 -4.358 3.563 2.066 1.00 0.00 C ATOM 370 CD1 PHE A 37 -3.931 2.246 2.347 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.719 3.853 1.852 1.00 0.00 C ATOM 372 CE1 PHE A 37 -4.882 1.204 2.380 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.675 2.818 1.911 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.243 1.494 2.166 1.00 0.00 C ATOM 0 H PHE A 37 -0.965 3.545 1.493 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.183 4.425 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.680 4.706 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.894 5.653 1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.888 2.039 2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.030 4.866 1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.567 0.188 2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.723 3.033 1.764 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.968 0.694 2.197 1.00 0.00 H new ATOM 384 N TRP A 38 -2.365 6.794 -0.376 1.00 0.00 N ATOM 385 CA TRP A 38 -1.871 8.161 -0.592 1.00 0.00 C ATOM 386 C TRP A 38 -3.040 9.129 -0.803 1.00 0.00 C ATOM 387 O TRP A 38 -4.108 8.729 -1.283 1.00 0.00 O ATOM 388 CB TRP A 38 -0.867 8.218 -1.751 1.00 0.00 C ATOM 389 CG TRP A 38 -1.541 8.112 -3.112 1.00 0.00 C ATOM 390 CD1 TRP A 38 -2.105 7.009 -3.596 1.00 0.00 C ATOM 391 CD2 TRP A 38 -1.906 9.161 -3.937 1.00 0.00 C ATOM 392 NE1 TRP A 38 -2.777 7.291 -4.706 1.00 0.00 N ATOM 393 CE2 TRP A 38 -2.715 8.597 -4.934 1.00 0.00 C ATOM 394 CE3 TRP A 38 -1.746 10.568 -3.852 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -3.393 9.419 -5.868 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -2.402 11.374 -4.771 1.00 0.00 C ATOM 397 CH2 TRP A 38 -3.214 10.813 -5.785 1.00 0.00 C ATOM 0 H TRP A 38 -3.168 6.551 -0.955 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.337 8.475 0.305 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.308 9.152 -1.698 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.145 7.408 -1.642 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.028 6.028 -3.151 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.264 6.612 -5.291 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.124 11.004 -3.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.031 8.987 -6.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.291 12.447 -4.712 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.700 11.459 -6.501 1.00 0.00 H new ATOM 408 N ALA A 39 -2.772 10.417 -0.622 1.00 0.00 N ATOM 409 CA ALA A 39 -3.814 11.452 -0.676 1.00 0.00 C ATOM 410 C ALA A 39 -3.351 12.653 -1.496 1.00 0.00 C ATOM 411 O ALA A 39 -2.238 13.130 -1.271 1.00 0.00 O ATOM 412 CB ALA A 39 -4.212 11.886 0.740 1.00 0.00 C ATOM 0 H ALA A 39 -1.836 10.778 -0.435 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.689 11.027 -1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.984 12.653 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.595 11.026 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.340 12.288 1.256 1.00 0.00 H new ATOM 418 N PRO A 40 -4.208 13.157 -2.393 1.00 0.00 N ATOM 419 CA PRO A 40 -3.881 14.334 -3.235 1.00 0.00 C ATOM 420 C PRO A 40 -3.493 15.554 -2.401 1.00 0.00 C ATOM 421 O PRO A 40 -2.408 16.100 -2.587 1.00 0.00 O ATOM 422 CB PRO A 40 -5.149 14.574 -4.048 1.00 0.00 C ATOM 423 CG PRO A 40 -5.796 13.201 -4.132 1.00 0.00 C ATOM 424 CD PRO A 40 -5.517 12.588 -2.765 1.00 0.00 C ATOM 0 HA PRO A 40 -3.011 14.157 -3.868 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.805 15.295 -3.561 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.920 14.969 -5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.866 13.273 -4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.365 12.603 -4.935 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.289 12.851 -2.042 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.483 11.500 -2.813 1.00 0.00 H new ATOM 557 N ALA A 49 3.984 4.217 -3.004 1.00 0.00 N ATOM 558 CA ALA A 49 3.729 3.357 -4.171 1.00 0.00 C ATOM 559 C ALA A 49 4.958 2.618 -4.749 1.00 0.00 C ATOM 560 O ALA A 49 4.970 1.391 -4.691 1.00 0.00 O ATOM 561 CB ALA A 49 2.805 4.039 -5.202 1.00 0.00 C ATOM 0 HA ALA A 49 3.159 2.511 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.644 3.368 -6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.848 4.271 -4.735 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.270 4.960 -5.554 1.00 0.00 H new ATOM 567 N PRO A 50 6.055 3.323 -5.075 1.00 0.00 N ATOM 568 CA PRO A 50 7.335 2.713 -5.486 1.00 0.00 C ATOM 569 C PRO A 50 7.914 1.822 -4.374 1.00 0.00 C ATOM 570 O PRO A 50 8.233 0.666 -4.655 1.00 0.00 O ATOM 571 CB PRO A 50 8.277 3.878 -5.748 1.00 0.00 C ATOM 572 CG PRO A 50 7.341 5.009 -6.178 1.00 0.00 C ATOM 573 CD PRO A 50 6.092 4.764 -5.318 1.00 0.00 C ATOM 0 HA PRO A 50 7.199 2.079 -6.362 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.843 4.144 -4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.002 3.640 -6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.777 5.989 -5.987 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.114 4.963 -7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.147 5.318 -4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.191 5.097 -5.833 1.00 0.00 H new ATOM 581 N VAL A 51 7.909 2.298 -3.130 1.00 0.00 N ATOM 582 CA VAL A 51 8.349 1.505 -1.952 1.00 0.00 C ATOM 583 C VAL A 51 7.638 0.140 -1.908 1.00 0.00 C ATOM 584 O VAL A 51 8.294 -0.887 -2.038 1.00 0.00 O ATOM 585 CB VAL A 51 8.153 2.337 -0.662 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.274 1.532 0.641 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.141 3.507 -0.610 1.00 0.00 C ATOM 0 H VAL A 51 7.602 3.242 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 51 9.413 1.283 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 51 7.126 2.697 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.123 2.194 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.519 0.746 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.266 1.084 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.983 4.076 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.161 3.123 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.983 4.155 -1.472 1.00 0.00 H new ATOM 597 N ILE A 52 6.318 0.178 -2.025 1.00 0.00 N ATOM 598 CA ILE A 52 5.455 -1.013 -2.083 1.00 0.00 C ATOM 599 C ILE A 52 5.740 -1.898 -3.311 1.00 0.00 C ATOM 600 O ILE A 52 6.055 -3.069 -3.147 1.00 0.00 O ATOM 601 CB ILE A 52 3.992 -0.505 -1.910 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.585 -0.454 -0.423 1.00 0.00 C ATOM 603 CG2 ILE A 52 2.913 -1.240 -2.699 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.431 0.519 0.399 1.00 0.00 C ATOM 0 H ILE A 52 5.797 1.053 -2.084 1.00 0.00 H new ATOM 0 HA ILE A 52 5.664 -1.714 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 52 4.034 0.494 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.536 -0.166 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.672 -1.453 0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.942 -0.791 -2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.127 -1.165 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.898 -2.289 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.094 0.508 1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.478 0.218 0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.325 1.525 -0.006 1.00 0.00 H new ATOM 616 N ASP A 53 5.932 -1.249 -4.455 1.00 0.00 N ATOM 617 CA ASP A 53 6.294 -1.958 -5.699 1.00 0.00 C ATOM 618 C ASP A 53 7.658 -2.671 -5.661 1.00 0.00 C ATOM 619 O ASP A 53 7.855 -3.746 -6.223 1.00 0.00 O ATOM 620 CB ASP A 53 6.166 -1.049 -6.925 1.00 0.00 C ATOM 621 CG ASP A 53 4.697 -0.848 -7.288 1.00 0.00 C ATOM 622 OD1 ASP A 53 4.077 -1.855 -7.715 1.00 0.00 O ATOM 623 OD2 ASP A 53 4.232 0.311 -7.184 1.00 0.00 O ATOM 0 H ASP A 53 5.846 -0.238 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 53 5.561 -2.760 -5.786 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.632 -0.085 -6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.699 -1.488 -7.768 1.00 0.00 H new ATOM 629 N GLU A 54 8.541 -2.108 -4.837 1.00 0.00 N ATOM 630 CA GLU A 54 9.862 -2.671 -4.511 1.00 0.00 C ATOM 631 C GLU A 54 9.833 -3.743 -3.422 1.00 0.00 C ATOM 632 O GLU A 54 10.519 -4.750 -3.560 1.00 0.00 O ATOM 633 CB GLU A 54 10.807 -1.558 -4.039 1.00 0.00 C ATOM 634 CG GLU A 54 11.627 -0.916 -5.170 1.00 0.00 C ATOM 635 CD GLU A 54 10.813 -0.073 -6.151 1.00 0.00 C ATOM 636 OE1 GLU A 54 10.327 -0.655 -7.140 1.00 0.00 O ATOM 637 OE2 GLU A 54 10.728 1.150 -5.910 1.00 0.00 O ATOM 0 H GLU A 54 8.358 -1.224 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 54 10.208 -3.140 -5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.222 -0.784 -3.543 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.490 -1.966 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.401 -0.288 -4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.135 -1.705 -5.725 1.00 0.00 H new ATOM 645 N LEU A 55 9.012 -3.538 -2.388 1.00 0.00 N ATOM 646 CA LEU A 55 8.805 -4.535 -1.323 1.00 0.00 C ATOM 647 C LEU A 55 8.413 -5.936 -1.833 1.00 0.00 C ATOM 648 O LEU A 55 8.983 -6.934 -1.395 1.00 0.00 O ATOM 649 CB LEU A 55 7.707 -4.021 -0.368 1.00 0.00 C ATOM 650 CG LEU A 55 8.159 -2.897 0.572 1.00 0.00 C ATOM 651 CD1 LEU A 55 6.950 -2.346 1.324 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.227 -3.353 1.570 1.00 0.00 C ATOM 0 H LEU A 55 8.472 -2.682 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 55 9.764 -4.652 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.864 -3.665 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.345 -4.856 0.232 1.00 0.00 H new ATOM 0 HG LEU A 55 8.611 -2.120 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.271 -1.547 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.226 -1.953 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.489 -3.144 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.509 -2.516 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.830 -4.161 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.104 -3.707 1.028 1.00 0.00 H new ATOM 664 N ALA A 56 7.768 -5.908 -3.002 1.00 0.00 N ATOM 665 CA ALA A 56 7.355 -7.125 -3.730 1.00 0.00 C ATOM 666 C ALA A 56 8.585 -7.957 -4.160 1.00 0.00 C ATOM 667 O ALA A 56 8.803 -9.069 -3.695 1.00 0.00 O ATOM 668 CB ALA A 56 6.561 -6.662 -4.953 1.00 0.00 C ATOM 0 H ALA A 56 7.514 -5.042 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 56 6.748 -7.767 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.233 -7.531 -5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.691 -6.093 -4.627 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.193 -6.033 -5.580 1.00 0.00 H new ATOM 674 N LYS A 57 9.469 -7.256 -4.869 1.00 0.00 N ATOM 675 CA LYS A 57 10.773 -7.754 -5.356 1.00 0.00 C ATOM 676 C LYS A 57 11.756 -8.118 -4.246 1.00 0.00 C ATOM 677 O LYS A 57 12.425 -9.145 -4.294 1.00 0.00 O ATOM 678 CB LYS A 57 11.403 -6.639 -6.196 1.00 0.00 C ATOM 679 CG LYS A 57 10.487 -6.234 -7.343 1.00 0.00 C ATOM 680 CD LYS A 57 11.015 -4.996 -8.060 1.00 0.00 C ATOM 681 CE LYS A 57 10.135 -4.732 -9.269 1.00 0.00 C ATOM 682 NZ LYS A 57 10.176 -3.295 -9.496 1.00 0.00 N ATOM 0 H LYS A 57 9.298 -6.286 -5.135 1.00 0.00 H new ATOM 0 HA LYS A 57 10.581 -8.668 -5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.605 -5.774 -5.565 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.361 -6.975 -6.593 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.400 -7.058 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.486 -6.036 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.006 -4.137 -7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.049 -5.149 -8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.499 -5.274 -10.141 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.114 -5.068 -9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.586 -3.057 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.815 -2.800 -8.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 11.157 -3.000 -9.676 1.00 0.00 H new ATOM 696 N GLU A 58 11.708 -7.315 -3.185 1.00 0.00 N ATOM 697 CA GLU A 58 12.572 -7.402 -2.006 1.00 0.00 C ATOM 698 C GLU A 58 12.472 -8.747 -1.288 1.00 0.00 C ATOM 699 O GLU A 58 13.479 -9.319 -0.874 1.00 0.00 O ATOM 700 CB GLU A 58 12.119 -6.225 -1.147 1.00 0.00 C ATOM 701 CG GLU A 58 13.025 -5.833 0.003 1.00 0.00 C ATOM 702 CD GLU A 58 12.596 -4.507 0.630 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.777 -4.368 1.859 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.087 -3.624 -0.109 1.00 0.00 O ATOM 0 H GLU A 58 11.036 -6.551 -3.119 1.00 0.00 H new ATOM 0 HA GLU A 58 13.631 -7.347 -2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.998 -5.357 -1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.135 -6.459 -0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.011 -6.616 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.052 -5.752 -0.353 1.00 0.00 H new ATOM 712 N TYR A 59 11.241 -9.225 -1.141 1.00 0.00 N ATOM 713 CA TYR A 59 10.972 -10.574 -0.608 1.00 0.00 C ATOM 714 C TYR A 59 10.063 -11.403 -1.519 1.00 0.00 C ATOM 715 O TYR A 59 8.846 -11.456 -1.378 1.00 0.00 O ATOM 716 CB TYR A 59 10.601 -10.544 0.888 1.00 0.00 C ATOM 717 CG TYR A 59 9.580 -9.487 1.288 1.00 0.00 C ATOM 718 CD1 TYR A 59 8.230 -9.727 0.992 1.00 0.00 C ATOM 719 CD2 TYR A 59 10.056 -8.221 1.682 1.00 0.00 C ATOM 720 CE1 TYR A 59 7.328 -8.657 1.052 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.152 -7.148 1.756 1.00 0.00 C ATOM 722 CZ TYR A 59 7.806 -7.384 1.423 1.00 0.00 C ATOM 723 OH TYR A 59 6.945 -6.350 1.367 1.00 0.00 O ATOM 0 H TYR A 59 10.401 -8.700 -1.383 1.00 0.00 H new ATOM 0 HA TYR A 59 11.906 -11.136 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.213 -11.523 1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 59 11.510 -10.384 1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.893 -10.717 0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.099 -8.078 1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.284 -8.805 0.818 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.483 -6.166 2.061 1.00 0.00 H new ATOM 0 HH TYR A 59 7.315 -5.589 1.862 1.00 0.00 H new ATOM 733 N SER A 60 10.656 -11.603 -2.691 1.00 0.00 N ATOM 734 CA SER A 60 10.233 -12.488 -3.810 1.00 0.00 C ATOM 735 C SER A 60 8.729 -12.769 -4.024 1.00 0.00 C ATOM 736 O SER A 60 8.265 -13.903 -4.044 1.00 0.00 O ATOM 737 CB SER A 60 11.024 -13.807 -3.717 1.00 0.00 C ATOM 738 OG SER A 60 12.421 -13.524 -3.814 1.00 0.00 O ATOM 0 H SER A 60 11.522 -11.115 -2.919 1.00 0.00 H new ATOM 0 HA SER A 60 10.465 -11.903 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.807 -14.310 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.721 -14.484 -4.516 1.00 0.00 H new ATOM 0 HG SER A 60 12.929 -14.360 -3.754 1.00 0.00 H new ATOM 744 N GLY A 61 8.002 -11.676 -4.288 1.00 0.00 N ATOM 745 CA GLY A 61 6.553 -11.680 -4.598 1.00 0.00 C ATOM 746 C GLY A 61 5.657 -12.392 -3.564 1.00 0.00 C ATOM 747 O GLY A 61 4.652 -12.990 -3.920 1.00 0.00 O ATOM 0 H GLY A 61 8.407 -10.740 -4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.217 -10.648 -4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.408 -12.155 -5.568 1.00 0.00 H new ATOM 751 N LYS A 62 6.076 -12.301 -2.303 1.00 0.00 N ATOM 752 CA LYS A 62 5.357 -12.819 -1.129 1.00 0.00 C ATOM 753 C LYS A 62 3.955 -12.224 -0.894 1.00 0.00 C ATOM 754 O LYS A 62 3.098 -12.862 -0.292 1.00 0.00 O ATOM 755 CB LYS A 62 6.253 -12.524 0.072 1.00 0.00 C ATOM 756 CG LYS A 62 7.245 -13.682 0.229 1.00 0.00 C ATOM 757 CD LYS A 62 8.199 -13.373 1.377 1.00 0.00 C ATOM 758 CE LYS A 62 9.396 -14.308 1.400 1.00 0.00 C ATOM 759 NZ LYS A 62 10.191 -13.967 2.582 1.00 0.00 N ATOM 0 H LYS A 62 6.957 -11.849 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 62 5.168 -13.880 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.786 -11.585 -0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.653 -12.413 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.710 -14.611 0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.804 -13.826 -0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.547 -12.344 1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.663 -13.450 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.071 -15.348 1.442 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.989 -14.196 0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.191 -14.188 2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.092 -12.952 2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.855 -14.518 3.397 1.00 0.00 H new ATOM 773 N ILE A 63 3.849 -10.937 -1.202 1.00 0.00 N ATOM 774 CA ILE A 63 2.612 -10.135 -1.059 1.00 0.00 C ATOM 775 C ILE A 63 2.252 -9.370 -2.343 1.00 0.00 C ATOM 776 O ILE A 63 3.115 -8.871 -3.080 1.00 0.00 O ATOM 777 CB ILE A 63 2.673 -9.187 0.160 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.027 -8.523 0.398 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.283 -9.919 1.443 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.510 -7.567 -0.698 1.00 0.00 C ATOM 0 H ILE A 63 4.633 -10.397 -1.568 1.00 0.00 H new ATOM 0 HA ILE A 63 1.809 -10.849 -0.880 1.00 0.00 H new ATOM 0 HB ILE A 63 1.963 -8.398 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.979 -7.972 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.775 -9.305 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.334 -9.229 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.267 -10.302 1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.969 -10.749 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.481 -7.156 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.601 -8.109 -1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.792 -6.755 -0.815 1.00 0.00 H new ATOM 792 N ALA A 64 0.954 -9.345 -2.615 1.00 0.00 N ATOM 793 CA ALA A 64 0.357 -8.589 -3.727 1.00 0.00 C ATOM 794 C ALA A 64 0.290 -7.087 -3.390 1.00 0.00 C ATOM 795 O ALA A 64 -0.484 -6.655 -2.536 1.00 0.00 O ATOM 796 CB ALA A 64 -1.031 -9.146 -4.039 1.00 0.00 C ATOM 0 H ALA A 64 0.266 -9.857 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 64 0.984 -8.700 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.472 -8.585 -4.863 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.947 -10.196 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.666 -9.055 -3.158 1.00 0.00 H new ATOM 802 N VAL A 65 1.132 -6.332 -4.074 1.00 0.00 N ATOM 803 CA VAL A 65 1.390 -4.893 -3.858 1.00 0.00 C ATOM 804 C VAL A 65 0.482 -3.933 -4.638 1.00 0.00 C ATOM 805 O VAL A 65 0.649 -3.700 -5.840 1.00 0.00 O ATOM 806 CB VAL A 65 2.875 -4.607 -4.141 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.713 -5.057 -2.944 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.426 -5.148 -5.457 1.00 0.00 C ATOM 0 H VAL A 65 1.690 -6.713 -4.838 1.00 0.00 H new ATOM 0 HA VAL A 65 1.143 -4.691 -2.816 1.00 0.00 H new ATOM 0 HB VAL A 65 2.947 -3.528 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.766 -4.856 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.399 -4.511 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.572 -6.126 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.480 -4.885 -5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.320 -6.233 -5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.872 -4.713 -6.289 1.00 0.00 H new ATOM 818 N TYR A 66 -0.453 -3.329 -3.910 1.00 0.00 N ATOM 819 CA TYR A 66 -1.480 -2.446 -4.491 1.00 0.00 C ATOM 820 C TYR A 66 -1.423 -1.000 -3.989 1.00 0.00 C ATOM 821 O TYR A 66 -1.122 -0.709 -2.832 1.00 0.00 O ATOM 822 CB TYR A 66 -2.869 -3.013 -4.198 1.00 0.00 C ATOM 823 CG TYR A 66 -3.116 -4.416 -4.745 1.00 0.00 C ATOM 824 CD1 TYR A 66 -2.347 -4.988 -5.786 1.00 0.00 C ATOM 825 CD2 TYR A 66 -4.146 -5.142 -4.111 1.00 0.00 C ATOM 826 CE1 TYR A 66 -2.606 -6.313 -6.200 1.00 0.00 C ATOM 827 CE2 TYR A 66 -4.400 -6.460 -4.518 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.627 -7.026 -5.552 1.00 0.00 C ATOM 829 OH TYR A 66 -3.859 -8.332 -5.864 1.00 0.00 O ATOM 0 H TYR A 66 -0.527 -3.433 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.275 -2.416 -5.561 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.020 -3.027 -3.119 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.617 -2.339 -4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.566 -4.414 -6.262 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.731 -4.690 -3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.033 -6.766 -6.995 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.181 -7.036 -4.043 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.754 -8.588 -5.557 1.00 0.00 H new ATOM 839 N LYS A 67 -1.994 -0.148 -4.826 1.00 0.00 N ATOM 840 CA LYS A 67 -2.029 1.316 -4.659 1.00 0.00 C ATOM 841 C LYS A 67 -3.434 1.922 -4.677 1.00 0.00 C ATOM 842 O LYS A 67 -4.192 1.774 -5.636 1.00 0.00 O ATOM 843 CB LYS A 67 -1.098 2.007 -5.682 1.00 0.00 C ATOM 844 CG LYS A 67 -0.874 1.219 -6.986 1.00 0.00 C ATOM 845 CD LYS A 67 -2.123 1.001 -7.847 1.00 0.00 C ATOM 846 CE LYS A 67 -2.149 1.859 -9.111 1.00 0.00 C ATOM 847 NZ LYS A 67 -1.838 3.241 -8.726 1.00 0.00 N ATOM 0 H LYS A 67 -2.466 -0.458 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.655 1.508 -3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.515 2.983 -5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.131 2.184 -5.211 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.129 1.744 -7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.453 0.246 -6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.181 -0.050 -8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.009 1.220 -7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.422 1.492 -9.836 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.128 1.807 -9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.140 3.888 -9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.340 3.478 -7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.813 3.338 -8.577 1.00 0.00 H new ATOM 861 N LEU A 68 -3.796 2.478 -3.521 1.00 0.00 N ATOM 862 CA LEU A 68 -5.107 3.113 -3.341 1.00 0.00 C ATOM 863 C LEU A 68 -5.070 4.649 -3.320 1.00 0.00 C ATOM 864 O LEU A 68 -4.542 5.298 -2.422 1.00 0.00 O ATOM 865 CB LEU A 68 -5.784 2.572 -2.067 1.00 0.00 C ATOM 866 CG LEU A 68 -7.286 2.866 -2.140 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.086 1.588 -1.918 1.00 0.00 C ATOM 868 CD2 LEU A 68 -7.706 3.993 -1.198 1.00 0.00 C ATOM 0 H LEU A 68 -3.201 2.503 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.693 2.848 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.614 1.499 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.351 3.039 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.509 3.229 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.151 1.812 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.828 0.859 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.851 1.178 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.779 4.162 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.467 3.717 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.172 4.906 -1.462 1.00 0.00 H new ATOM 880 N ASN A 69 -5.759 5.186 -4.318 1.00 0.00 N ATOM 881 CA ASN A 69 -6.049 6.624 -4.426 1.00 0.00 C ATOM 882 C ASN A 69 -7.215 6.905 -3.483 1.00 0.00 C ATOM 883 O ASN A 69 -8.355 6.549 -3.757 1.00 0.00 O ATOM 884 CB ASN A 69 -6.407 7.003 -5.858 1.00 0.00 C ATOM 885 CG ASN A 69 -5.404 6.600 -6.957 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.367 5.989 -6.757 1.00 0.00 O ATOM 887 ND2 ASN A 69 -5.751 6.943 -8.180 1.00 0.00 N ATOM 0 H ASN A 69 -6.140 4.636 -5.088 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.175 7.217 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.371 6.554 -6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.540 8.084 -5.900 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.151 6.698 -8.968 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.619 7.454 -8.339 1.00 0.00 H new ATOM 894 N THR A 70 -6.876 7.399 -2.296 1.00 0.00 N ATOM 895 CA THR A 70 -7.850 7.709 -1.222 1.00 0.00 C ATOM 896 C THR A 70 -9.096 8.464 -1.701 1.00 0.00 C ATOM 897 O THR A 70 -10.220 8.010 -1.544 1.00 0.00 O ATOM 898 CB THR A 70 -7.185 8.516 -0.121 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.504 9.640 -0.684 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.260 7.617 0.713 1.00 0.00 C ATOM 0 H THR A 70 -5.910 7.602 -2.037 1.00 0.00 H new ATOM 0 HA THR A 70 -8.186 6.740 -0.852 1.00 0.00 H new ATOM 0 HB THR A 70 -7.942 8.907 0.559 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.732 9.329 -1.202 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.790 8.208 1.499 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.843 6.813 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.490 7.191 0.070 1.00 0.00 H new ATOM 908 N ASP A 71 -8.805 9.447 -2.552 1.00 0.00 N ATOM 909 CA ASP A 71 -9.786 10.300 -3.244 1.00 0.00 C ATOM 910 C ASP A 71 -10.751 9.507 -4.150 1.00 0.00 C ATOM 911 O ASP A 71 -11.860 9.953 -4.423 1.00 0.00 O ATOM 912 CB ASP A 71 -8.971 11.250 -4.105 1.00 0.00 C ATOM 913 CG ASP A 71 -9.497 12.670 -3.956 1.00 0.00 C ATOM 914 OD1 ASP A 71 -10.347 13.054 -4.794 1.00 0.00 O ATOM 915 OD2 ASP A 71 -9.017 13.337 -3.011 1.00 0.00 O ATOM 0 H ASP A 71 -7.843 9.685 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.409 10.805 -2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -7.922 11.210 -3.812 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.023 10.942 -5.149 1.00 0.00 H new ATOM 921 N GLU A 72 -10.247 8.388 -4.670 1.00 0.00 N ATOM 922 CA GLU A 72 -10.989 7.496 -5.577 1.00 0.00 C ATOM 923 C GLU A 72 -11.740 6.392 -4.801 1.00 0.00 C ATOM 924 O GLU A 72 -12.774 5.904 -5.270 1.00 0.00 O ATOM 925 CB GLU A 72 -9.955 6.901 -6.536 1.00 0.00 C ATOM 926 CG GLU A 72 -10.543 6.273 -7.794 1.00 0.00 C ATOM 927 CD GLU A 72 -9.422 5.711 -8.674 1.00 0.00 C ATOM 928 OE1 GLU A 72 -8.614 6.530 -9.181 1.00 0.00 O ATOM 929 OE2 GLU A 72 -9.345 4.472 -8.757 1.00 0.00 O ATOM 0 H GLU A 72 -9.299 8.066 -4.474 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.756 8.047 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.258 7.686 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.378 6.145 -6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.237 5.477 -7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.113 7.018 -8.349 1.00 0.00 H new ATOM 937 N ALA A 73 -11.227 6.031 -3.630 1.00 0.00 N ATOM 938 CA ALA A 73 -11.834 5.003 -2.748 1.00 0.00 C ATOM 939 C ALA A 73 -11.891 5.433 -1.258 1.00 0.00 C ATOM 940 O ALA A 73 -11.349 4.745 -0.385 1.00 0.00 O ATOM 941 CB ALA A 73 -11.115 3.676 -2.994 1.00 0.00 C ATOM 0 H ALA A 73 -10.372 6.438 -3.250 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.886 4.876 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.546 2.905 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.231 3.388 -4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.056 3.788 -2.764 1.00 0.00 H new ATOM 947 N PRO A 74 -12.728 6.436 -0.936 1.00 0.00 N ATOM 948 CA PRO A 74 -12.827 7.015 0.430 1.00 0.00 C ATOM 949 C PRO A 74 -13.319 5.987 1.461 1.00 0.00 C ATOM 950 O PRO A 74 -12.758 5.890 2.553 1.00 0.00 O ATOM 951 CB PRO A 74 -13.828 8.164 0.303 1.00 0.00 C ATOM 952 CG PRO A 74 -13.869 8.470 -1.190 1.00 0.00 C ATOM 953 CD PRO A 74 -13.674 7.108 -1.836 1.00 0.00 C ATOM 0 HA PRO A 74 -11.851 7.345 0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.811 7.877 0.677 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.509 9.034 0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.818 8.921 -1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.083 9.168 -1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.614 6.561 -1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.274 7.196 -2.846 1.00 0.00 H new ATOM 961 N GLY A 75 -14.248 5.140 1.022 1.00 0.00 N ATOM 962 CA GLY A 75 -14.879 4.034 1.780 1.00 0.00 C ATOM 963 C GLY A 75 -13.885 3.008 2.332 1.00 0.00 C ATOM 964 O GLY A 75 -14.111 2.432 3.387 1.00 0.00 O ATOM 0 H GLY A 75 -14.610 5.202 0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.449 4.454 2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.590 3.523 1.131 1.00 0.00 H new ATOM 968 N ILE A 76 -12.785 2.800 1.627 1.00 0.00 N ATOM 969 CA ILE A 76 -11.698 1.926 2.097 1.00 0.00 C ATOM 970 C ILE A 76 -10.998 2.549 3.313 1.00 0.00 C ATOM 971 O ILE A 76 -10.958 1.969 4.387 1.00 0.00 O ATOM 972 CB ILE A 76 -10.783 1.606 0.906 1.00 0.00 C ATOM 973 CG1 ILE A 76 -11.520 0.899 -0.237 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.558 0.807 1.349 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.305 -0.364 0.176 1.00 0.00 C ATOM 0 H ILE A 76 -12.611 3.225 0.716 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.076 0.971 2.462 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.443 2.564 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.212 1.605 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.794 0.623 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.929 0.596 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.990 1.386 2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.880 -0.131 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.792 -0.793 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.619 -1.095 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.060 -0.098 0.916 1.00 0.00 H new ATOM 987 N ALA A 77 -10.683 3.838 3.171 1.00 0.00 N ATOM 988 CA ALA A 77 -10.129 4.638 4.278 1.00 0.00 C ATOM 989 C ALA A 77 -11.065 4.658 5.502 1.00 0.00 C ATOM 990 O ALA A 77 -10.587 4.473 6.611 1.00 0.00 O ATOM 991 CB ALA A 77 -9.815 6.057 3.802 1.00 0.00 C ATOM 0 H ALA A 77 -10.801 4.356 2.300 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.201 4.163 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.407 6.636 4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.086 6.016 2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.729 6.531 3.443 1.00 0.00 H new ATOM 997 N THR A 78 -12.380 4.648 5.244 1.00 0.00 N ATOM 998 CA THR A 78 -13.400 4.503 6.311 1.00 0.00 C ATOM 999 C THR A 78 -13.266 3.135 6.996 1.00 0.00 C ATOM 1000 O THR A 78 -12.897 3.045 8.169 1.00 0.00 O ATOM 1001 CB THR A 78 -14.774 4.522 5.640 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.904 5.707 4.846 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.974 4.414 6.584 1.00 0.00 C ATOM 0 H THR A 78 -12.771 4.738 4.306 1.00 0.00 H new ATOM 0 HA THR A 78 -13.273 5.303 7.041 1.00 0.00 H new ATOM 0 HB THR A 78 -14.803 3.618 5.031 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.784 5.717 4.415 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.897 4.437 6.004 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.918 3.477 7.138 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.964 5.250 7.283 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.479 2.095 6.196 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.534 0.687 6.605 1.00 0.00 C ATOM 1013 C GLN A 79 -12.316 0.237 7.432 1.00 0.00 C ATOM 1014 O GLN A 79 -12.451 -0.492 8.414 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.618 -0.113 5.295 1.00 0.00 C ATOM 1016 CG GLN A 79 -14.143 -1.549 5.428 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.659 -2.035 4.065 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -15.788 -1.809 3.674 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -13.829 -2.714 3.295 1.00 0.00 N ATOM 0 H GLN A 79 -13.626 2.212 5.193 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.389 0.525 7.261 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.262 0.427 4.601 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.625 -0.148 4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.349 -2.206 5.783 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -14.944 -1.588 6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.880 -2.908 3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.137 -3.044 2.380 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.156 0.817 7.103 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.878 0.508 7.743 1.00 0.00 C ATOM 1030 C TYR A 80 -9.377 1.561 8.744 1.00 0.00 C ATOM 1031 O TYR A 80 -8.302 1.391 9.335 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.845 0.260 6.633 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.227 -0.968 5.802 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.269 -2.231 6.435 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.880 -0.741 4.576 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.050 -3.260 5.864 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.668 -1.759 4.016 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.744 -3.002 4.669 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.374 -4.041 4.064 1.00 0.00 O ATOM 0 H TYR A 80 -11.081 1.525 6.373 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.028 -0.380 8.357 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.780 1.136 5.988 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.859 0.115 7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.711 -2.407 7.343 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.776 0.208 4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.113 -4.229 6.337 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.208 -1.590 3.096 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.044 -4.417 4.673 1.00 0.00 H new ATOM 1049 N ASN A 81 -10.206 2.572 8.992 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.896 3.733 9.872 1.00 0.00 C ATOM 1051 C ASN A 81 -8.568 4.445 9.565 1.00 0.00 C ATOM 1052 O ASN A 81 -7.982 5.132 10.403 1.00 0.00 O ATOM 1053 CB ASN A 81 -9.993 3.349 11.349 1.00 0.00 C ATOM 1054 CG ASN A 81 -11.456 3.152 11.717 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -12.249 4.086 11.783 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -11.876 1.921 11.771 1.00 0.00 N ATOM 0 H ASN A 81 -11.139 2.623 8.584 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.665 4.471 9.644 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.431 2.434 11.537 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.551 4.128 11.970 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.872 1.726 11.869 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.209 1.152 11.715 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.263 4.476 8.272 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.998 5.100 7.829 1.00 0.00 C ATOM 1065 C ILE A 82 -7.297 6.571 7.499 1.00 0.00 C ATOM 1066 O ILE A 82 -8.164 6.909 6.685 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.182 4.297 6.785 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.517 4.577 5.322 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.220 2.790 7.030 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -5.781 5.843 4.879 1.00 0.00 C ATOM 0 H ILE A 82 -8.844 4.094 7.526 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.274 5.077 8.643 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.171 4.671 6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.222 3.732 4.699 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.593 4.704 5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.631 2.282 6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.805 2.571 8.014 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.251 2.440 6.985 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.013 6.052 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.098 6.683 5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.707 5.697 4.989 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.951 7.309 8.532 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.971 8.790 8.565 1.00 0.00 C ATOM 1084 C ARG A 83 -5.556 9.350 8.308 1.00 0.00 C ATOM 1085 O ARG A 83 -5.366 10.381 7.665 1.00 0.00 O ATOM 1086 CB ARG A 83 -7.447 9.241 9.943 1.00 0.00 C ATOM 1087 CG ARG A 83 -8.887 8.821 10.273 1.00 0.00 C ATOM 1088 CD ARG A 83 -9.911 9.617 9.449 1.00 0.00 C ATOM 1089 NE ARG A 83 -10.243 8.895 8.208 1.00 0.00 N ATOM 1090 CZ ARG A 83 -11.381 9.037 7.534 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -12.358 9.803 7.989 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -11.587 8.335 6.432 1.00 0.00 N ATOM 0 H ARG A 83 -6.635 6.899 9.411 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.642 9.160 7.790 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.777 8.832 10.700 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.373 10.327 10.005 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.010 7.756 10.077 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.077 8.973 11.336 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.815 9.778 10.037 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.508 10.601 9.208 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.552 8.241 7.840 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.247 10.299 8.873 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.222 9.898 7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.874 7.686 6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.459 8.443 5.914 1.00 0.00 H new ATOM 1106 N SER A 84 -4.592 8.535 8.701 1.00 0.00 N ATOM 1107 CA SER A 84 -3.147 8.819 8.647 1.00 0.00 C ATOM 1108 C SER A 84 -2.579 8.468 7.266 1.00 0.00 C ATOM 1109 O SER A 84 -2.403 7.317 6.911 1.00 0.00 O ATOM 1110 CB SER A 84 -2.487 7.972 9.739 1.00 0.00 C ATOM 1111 OG SER A 84 -3.016 6.634 9.707 1.00 0.00 O ATOM 0 H SER A 84 -4.793 7.612 9.086 1.00 0.00 H new ATOM 0 HA SER A 84 -2.952 9.879 8.811 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.407 7.949 9.591 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.665 8.420 10.717 1.00 0.00 H new ATOM 0 HG SER A 84 -2.605 6.137 8.969 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.512 9.448 6.389 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.933 9.166 5.059 1.00 0.00 C ATOM 1119 C ILE A 85 -0.468 9.674 5.027 1.00 0.00 C ATOM 1120 O ILE A 85 -0.267 10.839 5.353 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.903 9.722 4.007 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -4.150 8.834 3.980 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -2.294 9.696 2.618 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -5.464 9.621 3.961 1.00 0.00 C ATOM 0 H ILE A 85 -2.829 10.405 6.543 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.838 8.106 4.825 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.138 10.752 4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.109 8.191 3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.140 8.181 4.853 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.009 10.097 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.389 10.303 2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.046 8.669 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.304 8.926 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.528 10.244 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.496 10.254 3.074 1.00 0.00 H new ATOM 1136 N PRO A 86 0.501 8.831 4.634 1.00 0.00 N ATOM 1137 CA PRO A 86 0.337 7.430 4.164 1.00 0.00 C ATOM 1138 C PRO A 86 0.240 6.352 5.244 1.00 0.00 C ATOM 1139 O PRO A 86 0.875 6.432 6.289 1.00 0.00 O ATOM 1140 CB PRO A 86 1.552 7.193 3.270 1.00 0.00 C ATOM 1141 CG PRO A 86 2.612 8.213 3.671 1.00 0.00 C ATOM 1142 CD PRO A 86 1.911 9.247 4.543 1.00 0.00 C ATOM 0 HA PRO A 86 -0.627 7.336 3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.929 6.178 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.285 7.308 2.219 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.425 7.733 4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.051 8.682 2.791 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.366 9.293 5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.994 10.243 4.107 1.00 0.00 H new ATOM 1150 N THR A 87 -0.558 5.327 4.942 1.00 0.00 N ATOM 1151 CA THR A 87 -0.704 4.102 5.763 1.00 0.00 C ATOM 1152 C THR A 87 -0.629 2.897 4.826 1.00 0.00 C ATOM 1153 O THR A 87 -1.112 2.939 3.700 1.00 0.00 O ATOM 1154 CB THR A 87 -1.986 4.059 6.628 1.00 0.00 C ATOM 1155 OG1 THR A 87 -1.861 5.061 7.630 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.210 2.770 7.409 1.00 0.00 C ATOM 0 H THR A 87 -1.138 5.315 4.103 1.00 0.00 H new ATOM 0 HA THR A 87 0.109 4.090 6.489 1.00 0.00 H new ATOM 0 HB THR A 87 -2.809 4.181 5.924 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.715 5.932 7.205 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.135 2.847 7.980 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.280 1.932 6.716 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.375 2.608 8.091 1.00 0.00 H new ATOM 1164 N VAL A 88 0.152 1.918 5.283 1.00 0.00 N ATOM 1165 CA VAL A 88 0.321 0.651 4.551 1.00 0.00 C ATOM 1166 C VAL A 88 -0.206 -0.513 5.397 1.00 0.00 C ATOM 1167 O VAL A 88 0.183 -0.685 6.556 1.00 0.00 O ATOM 1168 CB VAL A 88 1.781 0.471 4.076 1.00 0.00 C ATOM 1169 CG1 VAL A 88 1.982 -0.839 3.301 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.168 1.600 3.116 1.00 0.00 C ATOM 0 H VAL A 88 0.679 1.972 6.155 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.276 0.670 3.639 1.00 0.00 H new ATOM 0 HB VAL A 88 2.394 0.471 4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.023 -0.921 2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.728 -1.683 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.337 -0.844 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.198 1.462 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.507 1.584 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.075 2.559 3.626 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.134 -1.246 4.791 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.838 -2.369 5.446 1.00 0.00 C ATOM 1182 C LEU A 89 -1.406 -3.719 4.854 1.00 0.00 C ATOM 1183 O LEU A 89 -1.143 -3.823 3.654 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.351 -2.237 5.285 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.025 -1.179 6.162 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.763 0.236 5.679 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.548 -1.394 6.099 1.00 0.00 C ATOM 0 H LEU A 89 -1.428 -1.086 3.828 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.574 -2.332 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.568 -2.008 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.806 -3.204 5.501 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.619 -1.288 7.168 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.265 0.944 6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.690 0.430 5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.145 0.351 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.047 -0.649 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.887 -1.294 5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.790 -2.391 6.466 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.483 -4.744 5.703 1.00 0.00 N ATOM 1200 CA PHE A 90 -1.065 -6.119 5.372 1.00 0.00 C ATOM 1201 C PHE A 90 -2.181 -7.094 5.732 1.00 0.00 C ATOM 1202 O PHE A 90 -2.585 -7.258 6.881 1.00 0.00 O ATOM 1203 CB PHE A 90 0.203 -6.546 6.113 1.00 0.00 C ATOM 1204 CG PHE A 90 1.306 -5.487 6.158 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.296 -4.570 7.227 1.00 0.00 C ATOM 1206 CD2 PHE A 90 2.063 -5.242 4.998 1.00 0.00 C ATOM 1207 CE1 PHE A 90 1.992 -3.350 7.114 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.778 -4.034 4.882 1.00 0.00 C ATOM 1209 CZ PHE A 90 2.721 -3.095 5.932 1.00 0.00 C ATOM 0 H PHE A 90 -1.841 -4.648 6.653 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.854 -6.135 4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.064 -6.817 7.135 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.599 -7.444 5.639 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.755 -4.802 8.133 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.096 -5.973 4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.968 -2.625 7.914 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.364 -3.829 3.998 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.248 -2.158 5.830 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.648 -7.716 4.660 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.780 -8.659 4.633 1.00 0.00 C ATOM 1221 C PHE A 91 -3.352 -10.081 4.294 1.00 0.00 C ATOM 1222 O PHE A 91 -2.477 -10.330 3.462 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.779 -8.226 3.564 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.339 -6.845 3.864 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -6.516 -6.740 4.642 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -4.737 -5.715 3.273 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -7.090 -5.473 4.843 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -5.322 -4.456 3.475 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.488 -4.343 4.252 1.00 0.00 C ATOM 0 H PHE A 91 -2.236 -7.578 3.737 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.216 -8.648 5.632 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.293 -8.220 2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.594 -8.948 3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.967 -7.621 5.075 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.843 -5.817 2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.982 -5.366 5.443 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.878 -3.576 3.035 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.932 -3.370 4.400 1.00 0.00 H new ATOM 1239 N LYS A 92 -4.146 -10.970 4.871 1.00 0.00 N ATOM 1240 CA LYS A 92 -4.142 -12.401 4.574 1.00 0.00 C ATOM 1241 C LYS A 92 -5.598 -12.804 4.287 1.00 0.00 C ATOM 1242 O LYS A 92 -6.374 -13.165 5.172 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.557 -13.184 5.749 1.00 0.00 C ATOM 1244 CG LYS A 92 -3.317 -14.634 5.351 1.00 0.00 C ATOM 1245 CD LYS A 92 -2.873 -15.418 6.579 1.00 0.00 C ATOM 1246 CE LYS A 92 -2.703 -16.912 6.255 1.00 0.00 C ATOM 1247 NZ LYS A 92 -4.012 -17.520 5.996 1.00 0.00 N ATOM 0 H LYS A 92 -4.832 -10.712 5.580 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.518 -12.626 3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.620 -12.728 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.238 -13.141 6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.228 -15.067 4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.556 -14.690 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.931 -15.014 6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.607 -15.297 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.058 -17.033 5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.215 -17.420 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.926 -18.556 6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.690 -17.205 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.349 -17.231 5.056 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.992 -12.365 3.099 1.00 0.00 N ATOM 1262 CA ASN A 93 -7.322 -12.548 2.476 1.00 0.00 C ATOM 1263 C ASN A 93 -8.441 -11.986 3.386 1.00 0.00 C ATOM 1264 O ASN A 93 -9.091 -12.705 4.149 1.00 0.00 O ATOM 1265 CB ASN A 93 -7.538 -14.023 2.142 1.00 0.00 C ATOM 1266 CG ASN A 93 -8.713 -14.227 1.186 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -8.601 -14.084 -0.030 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -9.869 -14.480 1.746 1.00 0.00 N ATOM 0 H ASN A 93 -5.361 -11.837 2.496 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.362 -11.984 1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.631 -14.430 1.694 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.717 -14.580 3.061 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.707 -14.563 1.171 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.932 -14.594 2.758 1.00 0.00 H new ATOM 1275 N GLY A 94 -8.579 -10.670 3.302 1.00 0.00 N ATOM 1276 CA GLY A 94 -9.523 -9.889 4.133 1.00 0.00 C ATOM 1277 C GLY A 94 -9.256 -9.900 5.639 1.00 0.00 C ATOM 1278 O GLY A 94 -9.987 -9.256 6.388 1.00 0.00 O ATOM 0 H GLY A 94 -8.040 -10.097 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.509 -8.855 3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.530 -10.269 3.960 1.00 0.00 H new ATOM 1282 N GLU A 95 -8.088 -10.402 6.030 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.702 -10.522 7.448 1.00 0.00 C ATOM 1284 C GLU A 95 -6.472 -9.635 7.657 1.00 0.00 C ATOM 1285 O GLU A 95 -5.412 -9.909 7.116 1.00 0.00 O ATOM 1286 CB GLU A 95 -7.355 -11.962 7.792 1.00 0.00 C ATOM 1287 CG GLU A 95 -8.564 -12.901 7.724 1.00 0.00 C ATOM 1288 CD GLU A 95 -8.145 -14.363 7.885 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -8.250 -15.106 6.889 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -7.816 -14.733 9.039 1.00 0.00 O ATOM 0 H GLU A 95 -7.378 -10.739 5.380 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.528 -10.215 8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.586 -12.318 7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.930 -11.998 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.276 -12.637 8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.075 -12.770 6.770 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.730 -8.490 8.288 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.647 -7.533 8.501 1.00 0.00 C ATOM 1300 C ARG A 96 -4.822 -7.931 9.721 1.00 0.00 C ATOM 1301 O ARG A 96 -5.281 -7.982 10.864 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.134 -6.093 8.651 1.00 0.00 C ATOM 1303 CG ARG A 96 -4.923 -5.182 8.454 1.00 0.00 C ATOM 1304 CD ARG A 96 -5.206 -3.745 8.878 1.00 0.00 C ATOM 1305 NE ARG A 96 -5.374 -3.644 10.336 1.00 0.00 N ATOM 1306 CZ ARG A 96 -5.670 -2.539 11.015 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -5.961 -1.389 10.412 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -5.776 -2.603 12.324 1.00 0.00 N ATOM 0 H ARG A 96 -7.642 -8.210 8.648 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.028 -7.565 7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.907 -5.870 7.915 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.576 -5.937 9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.082 -5.569 9.029 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.626 -5.197 7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.387 -3.101 8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.107 -3.387 8.380 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.252 -4.501 10.876 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.962 -1.333 9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.183 -0.563 10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.632 -3.491 12.805 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.002 -1.765 12.859 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.586 -8.232 9.375 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.572 -8.761 10.294 1.00 0.00 C ATOM 1324 C LYS A 97 -1.855 -7.610 11.009 1.00 0.00 C ATOM 1325 O LYS A 97 -1.616 -7.648 12.209 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.536 -9.530 9.510 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.254 -10.509 8.606 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.209 -11.113 7.710 1.00 0.00 C ATOM 1329 CE LYS A 97 -0.527 -12.234 8.474 1.00 0.00 C ATOM 1330 NZ LYS A 97 0.375 -12.799 7.488 1.00 0.00 N ATOM 0 H LYS A 97 -3.240 -8.116 8.423 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.067 -9.405 11.021 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.923 -8.848 8.921 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.864 -10.060 10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.755 -11.280 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.022 -10.004 8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.665 -11.496 6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.482 -10.359 7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.011 -11.860 9.345 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.244 -12.971 8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.194 -13.819 7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.220 -12.336 6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.359 -12.647 7.790 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.418 -6.661 10.181 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.644 -5.494 10.629 1.00 0.00 C ATOM 1346 C GLU A 98 -0.941 -4.297 9.726 1.00 0.00 C ATOM 1347 O GLU A 98 -1.497 -4.422 8.638 1.00 0.00 O ATOM 1348 CB GLU A 98 0.845 -5.855 10.621 1.00 0.00 C ATOM 1349 CG GLU A 98 1.482 -5.600 11.992 1.00 0.00 C ATOM 1350 CD GLU A 98 0.936 -6.509 13.104 1.00 0.00 C ATOM 1351 OE1 GLU A 98 1.475 -7.634 13.223 1.00 0.00 O ATOM 1352 OE2 GLU A 98 0.081 -6.015 13.864 1.00 0.00 O ATOM 0 H GLU A 98 -1.590 -6.676 9.176 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.927 -5.216 11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.967 -6.904 10.349 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.361 -5.267 9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.560 -5.743 11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.317 -4.559 12.272 1.00 0.00 H new ATOM 1360 N SER A 99 -0.699 -3.135 10.317 1.00 0.00 N ATOM 1361 CA SER A 99 -0.886 -1.822 9.675 1.00 0.00 C ATOM 1362 C SER A 99 0.150 -0.811 10.177 1.00 0.00 C ATOM 1363 O SER A 99 0.477 -0.745 11.357 1.00 0.00 O ATOM 1364 CB SER A 99 -2.305 -1.310 9.905 1.00 0.00 C ATOM 1365 OG SER A 99 -2.691 -1.473 11.271 1.00 0.00 O ATOM 0 H SER A 99 -0.360 -3.067 11.277 1.00 0.00 H new ATOM 0 HA SER A 99 -0.737 -1.944 8.602 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.365 -0.257 9.629 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.999 -1.849 9.260 1.00 0.00 H new ATOM 0 HG SER A 99 -3.438 -0.872 11.474 1.00 0.00 H new ATOM 1371 N ILE A 100 0.841 -0.247 9.194 1.00 0.00 N ATOM 1372 CA ILE A 100 1.854 0.799 9.405 1.00 0.00 C ATOM 1373 C ILE A 100 1.262 2.173 9.092 1.00 0.00 C ATOM 1374 O ILE A 100 1.129 2.581 7.936 1.00 0.00 O ATOM 1375 CB ILE A 100 3.138 0.468 8.610 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.777 -0.841 9.105 1.00 0.00 C ATOM 1377 CG2 ILE A 100 4.166 1.607 8.602 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.969 -0.961 10.626 1.00 0.00 C ATOM 0 H ILE A 100 0.718 -0.501 8.214 1.00 0.00 H new ATOM 0 HA ILE A 100 2.152 0.831 10.453 1.00 0.00 H new ATOM 0 HB ILE A 100 2.821 0.337 7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.159 -1.674 8.769 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.750 -0.952 8.626 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.040 1.304 8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.723 2.494 8.149 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.466 1.833 9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.427 -1.922 10.860 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.616 -0.156 10.976 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.001 -0.890 11.122 1.00 0.00 H new ATOM 1390 N ILE A 101 0.789 2.773 10.177 1.00 0.00 N ATOM 1391 CA ILE A 101 0.313 4.160 10.231 1.00 0.00 C ATOM 1392 C ILE A 101 1.551 5.078 10.176 1.00 0.00 C ATOM 1393 O ILE A 101 2.485 4.914 10.951 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.504 4.295 11.541 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.837 3.535 11.469 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -0.758 5.743 11.966 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -1.745 2.136 12.089 1.00 0.00 C ATOM 0 H ILE A 101 0.722 2.296 11.076 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.333 4.443 9.399 1.00 0.00 H new ATOM 0 HB ILE A 101 0.127 3.841 12.306 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.607 4.108 11.985 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.147 3.449 10.428 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.335 5.755 12.891 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.195 6.248 12.127 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.315 6.259 11.184 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.713 1.640 12.013 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.995 1.551 11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.462 2.221 13.138 1.00 0.00 H new ATOM 1409 N GLY A 102 1.538 5.982 9.196 1.00 0.00 N ATOM 1410 CA GLY A 102 2.668 6.910 8.932 1.00 0.00 C ATOM 1411 C GLY A 102 3.815 6.167 8.232 1.00 0.00 C ATOM 1412 O GLY A 102 4.967 6.175 8.665 1.00 0.00 O ATOM 0 H GLY A 102 0.752 6.101 8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.329 7.739 8.310 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.022 7.339 9.869 1.00 0.00 H new ATOM 1416 N ALA A 103 3.480 5.679 7.051 1.00 0.00 N ATOM 1417 CA ALA A 103 4.364 4.827 6.235 1.00 0.00 C ATOM 1418 C ALA A 103 5.377 5.642 5.407 1.00 0.00 C ATOM 1419 O ALA A 103 5.091 6.121 4.307 1.00 0.00 O ATOM 1420 CB ALA A 103 3.489 3.932 5.360 1.00 0.00 C ATOM 0 H ALA A 103 2.576 5.859 6.615 1.00 0.00 H new ATOM 0 HA ALA A 103 4.975 4.210 6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.123 3.292 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.853 3.314 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.866 4.551 4.715 1.00 0.00 H new ATOM 1426 N VAL A 104 6.417 6.024 6.123 1.00 0.00 N ATOM 1427 CA VAL A 104 7.561 6.769 5.544 1.00 0.00 C ATOM 1428 C VAL A 104 8.907 6.001 5.615 1.00 0.00 C ATOM 1429 O VAL A 104 9.568 5.928 4.569 1.00 0.00 O ATOM 1430 CB VAL A 104 7.603 8.224 6.063 1.00 0.00 C ATOM 1431 CG1 VAL A 104 8.757 9.035 5.463 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.299 8.982 5.759 1.00 0.00 C ATOM 0 H VAL A 104 6.510 5.836 7.121 1.00 0.00 H new ATOM 0 HA VAL A 104 7.389 6.847 4.470 1.00 0.00 H new ATOM 0 HB VAL A 104 7.745 8.131 7.140 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.736 10.048 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.705 8.563 5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.651 9.071 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.372 10.000 6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.137 9.010 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.462 8.474 6.239 1.00 0.00 H new ATOM 1442 N PRO A 105 9.334 5.392 6.739 1.00 0.00 N ATOM 1443 CA PRO A 105 10.602 4.630 6.782 1.00 0.00 C ATOM 1444 C PRO A 105 10.450 3.229 6.182 1.00 0.00 C ATOM 1445 O PRO A 105 9.883 2.317 6.777 1.00 0.00 O ATOM 1446 CB PRO A 105 11.044 4.613 8.249 1.00 0.00 C ATOM 1447 CG PRO A 105 9.770 4.852 9.061 1.00 0.00 C ATOM 1448 CD PRO A 105 8.782 5.506 8.100 1.00 0.00 C ATOM 0 HA PRO A 105 11.368 5.101 6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.503 3.659 8.510 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.786 5.388 8.445 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.374 3.915 9.452 1.00 0.00 H new ATOM 0 HG3 PRO A 105 9.967 5.496 9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.810 5.017 8.160 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.629 6.553 8.364 1.00 0.00 H new ATOM 1456 N LYS A 106 11.048 3.127 5.009 1.00 0.00 N ATOM 1457 CA LYS A 106 11.094 1.916 4.157 1.00 0.00 C ATOM 1458 C LYS A 106 11.294 0.596 4.935 1.00 0.00 C ATOM 1459 O LYS A 106 10.522 -0.352 4.787 1.00 0.00 O ATOM 1460 CB LYS A 106 12.241 2.135 3.193 1.00 0.00 C ATOM 1461 CG LYS A 106 11.866 1.507 1.864 1.00 0.00 C ATOM 1462 CD LYS A 106 13.128 1.384 1.029 1.00 0.00 C ATOM 1463 CE LYS A 106 12.828 0.795 -0.357 1.00 0.00 C ATOM 1464 NZ LYS A 106 12.156 -0.484 -0.130 1.00 0.00 N ATOM 0 H LYS A 106 11.543 3.914 4.590 1.00 0.00 H new ATOM 0 HA LYS A 106 10.132 1.795 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.436 3.200 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.155 1.687 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.415 0.527 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.126 2.120 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 106 13.589 2.365 0.917 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.848 0.751 1.547 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.195 1.468 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.747 0.654 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.261 -1.085 -0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 12.583 -0.960 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.146 -0.318 0.053 1.00 0.00 H new ATOM 1478 N SER A 107 12.261 0.613 5.839 1.00 0.00 N ATOM 1479 CA SER A 107 12.628 -0.551 6.678 1.00 0.00 C ATOM 1480 C SER A 107 11.522 -1.039 7.618 1.00 0.00 C ATOM 1481 O SER A 107 11.309 -2.241 7.733 1.00 0.00 O ATOM 1482 CB SER A 107 13.893 -0.186 7.468 1.00 0.00 C ATOM 1483 OG SER A 107 13.755 1.152 7.959 1.00 0.00 O ATOM 0 H SER A 107 12.829 1.440 6.024 1.00 0.00 H new ATOM 0 HA SER A 107 12.802 -1.392 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.035 -0.880 8.296 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.773 -0.266 6.830 1.00 0.00 H new ATOM 0 HG SER A 107 14.556 1.398 8.467 1.00 0.00 H new ATOM 1489 N THR A 108 10.790 -0.106 8.209 1.00 0.00 N ATOM 1490 CA THR A 108 9.593 -0.384 9.047 1.00 0.00 C ATOM 1491 C THR A 108 8.485 -1.071 8.234 1.00 0.00 C ATOM 1492 O THR A 108 7.799 -1.978 8.707 1.00 0.00 O ATOM 1493 CB THR A 108 9.112 0.960 9.619 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.216 1.597 10.267 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.903 0.840 10.550 1.00 0.00 C ATOM 0 H THR A 108 11.000 0.889 8.129 1.00 0.00 H new ATOM 0 HA THR A 108 9.849 -1.071 9.854 1.00 0.00 H new ATOM 0 HB THR A 108 8.757 1.570 8.789 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.882 2.272 10.894 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.623 1.829 10.913 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.066 0.403 10.005 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.157 0.202 11.396 1.00 0.00 H new ATOM 1503 N LEU A 109 8.349 -0.595 7.017 1.00 0.00 N ATOM 1504 CA LEU A 109 7.478 -1.184 5.980 1.00 0.00 C ATOM 1505 C LEU A 109 7.876 -2.614 5.652 1.00 0.00 C ATOM 1506 O LEU A 109 6.997 -3.462 5.685 1.00 0.00 O ATOM 1507 CB LEU A 109 7.443 -0.339 4.702 1.00 0.00 C ATOM 1508 CG LEU A 109 6.479 0.829 4.914 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.132 2.056 5.542 1.00 0.00 C ATOM 1510 CD2 LEU A 109 5.906 1.268 3.575 1.00 0.00 C ATOM 0 H LEU A 109 8.847 0.235 6.695 1.00 0.00 H new ATOM 0 HA LEU A 109 6.473 -1.196 6.401 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.441 0.032 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.121 -0.946 3.856 1.00 0.00 H new ATOM 0 HG LEU A 109 5.713 0.459 5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.388 2.843 5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.541 1.792 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.935 2.411 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.219 2.100 3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.717 1.583 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.371 0.436 3.118 1.00 0.00 H new ATOM 1522 N THR A 110 9.175 -2.921 5.589 1.00 0.00 N ATOM 1523 CA THR A 110 9.648 -4.300 5.378 1.00 0.00 C ATOM 1524 C THR A 110 9.416 -5.178 6.610 1.00 0.00 C ATOM 1525 O THR A 110 8.903 -6.298 6.550 1.00 0.00 O ATOM 1526 CB THR A 110 11.124 -4.373 4.975 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.396 -3.408 3.971 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.413 -5.789 4.452 1.00 0.00 C ATOM 0 H THR A 110 9.923 -2.234 5.681 1.00 0.00 H new ATOM 0 HA THR A 110 9.053 -4.681 4.548 1.00 0.00 H new ATOM 0 HB THR A 110 11.762 -4.161 5.833 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.693 -3.861 3.154 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.460 -5.862 4.159 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.204 -6.516 5.236 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.780 -5.994 3.589 1.00 0.00 H new ATOM 1536 N ASP A 111 9.846 -4.609 7.726 1.00 0.00 N ATOM 1537 CA ASP A 111 9.742 -5.161 9.088 1.00 0.00 C ATOM 1538 C ASP A 111 8.357 -5.758 9.359 1.00 0.00 C ATOM 1539 O ASP A 111 8.223 -6.949 9.622 1.00 0.00 O ATOM 1540 CB ASP A 111 10.002 -3.968 10.019 1.00 0.00 C ATOM 1541 CG ASP A 111 10.252 -4.312 11.493 1.00 0.00 C ATOM 1542 OD1 ASP A 111 10.978 -3.506 12.125 1.00 0.00 O ATOM 1543 OD2 ASP A 111 9.683 -5.319 11.979 1.00 0.00 O ATOM 0 H ASP A 111 10.304 -3.698 7.716 1.00 0.00 H new ATOM 0 HA ASP A 111 10.451 -5.975 9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.865 -3.419 9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.147 -3.295 9.963 1.00 0.00 H new ATOM 1549 N SER A 112 7.341 -4.965 9.022 1.00 0.00 N ATOM 1550 CA SER A 112 5.935 -5.333 9.234 1.00 0.00 C ATOM 1551 C SER A 112 5.413 -6.560 8.500 1.00 0.00 C ATOM 1552 O SER A 112 4.463 -7.168 8.986 1.00 0.00 O ATOM 1553 CB SER A 112 5.011 -4.153 8.949 1.00 0.00 C ATOM 1554 OG SER A 112 5.101 -3.834 7.568 1.00 0.00 O ATOM 0 H SER A 112 7.466 -4.048 8.594 1.00 0.00 H new ATOM 0 HA SER A 112 5.924 -5.615 10.287 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.984 -4.404 9.214 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.296 -3.293 9.556 1.00 0.00 H new ATOM 0 HG SER A 112 4.207 -3.638 7.219 1.00 0.00 H new ATOM 1560 N ILE A 113 5.992 -6.889 7.336 1.00 0.00 N ATOM 1561 CA ILE A 113 5.635 -8.140 6.646 1.00 0.00 C ATOM 1562 C ILE A 113 6.522 -9.296 7.119 1.00 0.00 C ATOM 1563 O ILE A 113 6.028 -10.345 7.544 1.00 0.00 O ATOM 1564 CB ILE A 113 5.706 -8.248 5.124 1.00 0.00 C ATOM 1565 CG1 ILE A 113 6.817 -7.432 4.487 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.332 -8.183 4.471 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.482 -5.958 4.394 1.00 0.00 C ATOM 0 H ILE A 113 6.694 -6.322 6.860 1.00 0.00 H new ATOM 0 HA ILE A 113 4.579 -8.169 6.913 1.00 0.00 H new ATOM 0 HB ILE A 113 6.043 -9.259 4.894 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.731 -7.556 5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.018 -7.818 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.439 -8.264 3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.716 -9.004 4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.856 -7.234 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.312 -5.425 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.584 -5.826 3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.308 -5.561 5.394 1.00 0.00 H new ATOM 1579 N GLU A 114 7.816 -8.990 7.133 1.00 0.00 N ATOM 1580 CA GLU A 114 8.917 -9.939 7.403 1.00 0.00 C ATOM 1581 C GLU A 114 9.119 -10.301 8.897 1.00 0.00 C ATOM 1582 O GLU A 114 10.227 -10.563 9.382 1.00 0.00 O ATOM 1583 CB GLU A 114 10.183 -9.480 6.685 1.00 0.00 C ATOM 1584 CG GLU A 114 9.891 -9.541 5.186 1.00 0.00 C ATOM 1585 CD GLU A 114 11.129 -9.960 4.398 1.00 0.00 C ATOM 1586 OE1 GLU A 114 11.926 -9.049 4.059 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.247 -11.170 4.122 1.00 0.00 O ATOM 0 H GLU A 114 8.150 -8.043 6.951 1.00 0.00 H new ATOM 0 HA GLU A 114 8.625 -10.901 6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.451 -8.467 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.026 -10.122 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.082 -10.247 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.549 -8.566 4.840 1.00 0.00 H new ATOM 1595 N LYS A 115 8.048 -9.982 9.586 1.00 0.00 N ATOM 1596 CA LYS A 115 7.636 -10.341 10.951 1.00 0.00 C ATOM 1597 C LYS A 115 7.001 -11.750 10.922 1.00 0.00 C ATOM 1598 O LYS A 115 7.299 -12.600 11.747 1.00 0.00 O ATOM 1599 CB LYS A 115 6.602 -9.243 11.199 1.00 0.00 C ATOM 1600 CG LYS A 115 5.947 -9.271 12.580 1.00 0.00 C ATOM 1601 CD LYS A 115 4.877 -8.170 12.696 1.00 0.00 C ATOM 1602 CE LYS A 115 5.459 -6.753 12.680 1.00 0.00 C ATOM 1603 NZ LYS A 115 6.286 -6.531 13.873 1.00 0.00 N ATOM 0 H LYS A 115 7.342 -9.384 9.156 1.00 0.00 H new ATOM 0 HA LYS A 115 8.417 -10.390 11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.083 -8.275 11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.822 -9.322 10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.493 -10.247 12.753 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.705 -9.131 13.351 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.169 -8.273 11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.316 -8.314 13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.058 -6.608 11.781 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.652 -6.021 12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.493 -5.516 13.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.774 -6.860 14.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.177 -7.059 13.781 1.00 0.00 H new ATOM 1617 N TYR A 116 6.070 -11.929 9.974 1.00 0.00 N ATOM 1618 CA TYR A 116 5.363 -13.194 9.692 1.00 0.00 C ATOM 1619 C TYR A 116 5.890 -13.928 8.450 1.00 0.00 C ATOM 1620 O TYR A 116 6.387 -15.045 8.575 1.00 0.00 O ATOM 1621 CB TYR A 116 3.842 -12.999 9.647 1.00 0.00 C ATOM 1622 CG TYR A 116 3.351 -11.678 9.039 1.00 0.00 C ATOM 1623 CD1 TYR A 116 3.148 -11.560 7.649 1.00 0.00 C ATOM 1624 CD2 TYR A 116 3.082 -10.618 9.939 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.670 -10.340 7.140 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.612 -9.409 9.420 1.00 0.00 C ATOM 1627 CZ TYR A 116 2.438 -9.280 8.031 1.00 0.00 C ATOM 1628 OH TYR A 116 2.388 -8.019 7.525 1.00 0.00 O ATOM 0 H TYR A 116 5.775 -11.171 9.358 1.00 0.00 H new ATOM 0 HA TYR A 116 5.583 -13.852 10.533 1.00 0.00 H new ATOM 0 HB2 TYR A 116 3.407 -13.821 9.079 1.00 0.00 H new ATOM 0 HB3 TYR A 116 3.456 -13.074 10.663 1.00 0.00 H new ATOM 0 HD1 TYR A 116 3.355 -12.389 6.989 1.00 0.00 H new ATOM 0 HD2 TYR A 116 3.236 -10.741 11.001 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.485 -10.220 6.083 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.385 -8.583 10.078 1.00 0.00 H new ATOM 0 HH TYR A 116 3.039 -7.453 7.991 1.00 0.00 H new ATOM 1638 N LEU A 117 5.903 -13.272 7.284 1.00 0.00 N ATOM 1639 CA LEU A 117 6.525 -13.840 6.066 1.00 0.00 C ATOM 1640 C LEU A 117 7.999 -13.423 6.021 1.00 0.00 C ATOM 1641 O LEU A 117 8.472 -12.560 5.278 1.00 0.00 O ATOM 1642 CB LEU A 117 5.727 -13.604 4.780 1.00 0.00 C ATOM 1643 CG LEU A 117 5.315 -12.145 4.524 1.00 0.00 C ATOM 1644 CD1 LEU A 117 6.199 -11.452 3.501 1.00 0.00 C ATOM 1645 CD2 LEU A 117 3.868 -12.172 4.037 1.00 0.00 C ATOM 0 H LEU A 117 5.492 -12.348 7.151 1.00 0.00 H new ATOM 0 HA LEU A 117 6.497 -14.928 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.321 -13.951 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.827 -14.219 4.812 1.00 0.00 H new ATOM 0 HG LEU A 117 5.424 -11.575 5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.859 -10.426 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.230 -11.448 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.143 -11.984 2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.531 -11.154 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.804 -12.758 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.235 -12.623 4.801 1.00 0.00 H new