USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=24 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 107 SER OG : rot 180:sc= 0.00245 USER MOD Set 1.2: A 108 THR OG1 : rot 180:sc= 0.0113 USER MOD Set 2.1: A 84 SER OG : rot 67:sc= -0.282! USER MOD Set 2.2: A 87 THR OG1 : rot 73:sc= 2.25 USER MOD Set 3.1: A 79 GLN : amide:sc= 0.573 K(o=2.1,f=-1.2) USER MOD Set 3.2: A 80 TYR OH : rot 112:sc= 1.56 USER MOD Set 4.1: A 34 MET CE :methyl -147:sc= -3.19 (180deg=-6.95!) USER MOD Set 4.2: A 59 TYR OH : rot 169:sc= -3.48! USER MOD Set 5.1: A 29 SER OG : rot 128:sc= 0.823 USER MOD Set 5.2: A 66 TYR OH : rot -137:sc= 0.763 USER MOD Set 6.1: A 18 ASN : amide:sc= 0.426 K(o=1.1,f=-1.6!) USER MOD Set 6.2: A 20 SER OG : rot 59:sc= 0.197 USER MOD Set 6.3: A 21 SER OG : rot -1:sc= 0.509 USER MOD Single : A 15 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.42) USER MOD Single : A 23 LYS NZ :NH3+ 165:sc= -0.0291 (180deg=-0.259) 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+ 177:sc= 0.727 (180deg=0.722) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0983 K(o=-0.098,f=-3.2!) USER MOD Single : A 70 THR OG1 : rot 170:sc= -0.724 USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.144 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.0108 F(o=-3.8!,f=-0.011) USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= -0.0306 (180deg=-0.275) USER MOD Single : A 93 ASN : amide:sc= 0.852 K(o=0.85,f=-3.8!) USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= -0.0592 (180deg=-0.219) USER MOD Single : A 99 SER OG : rot 130:sc= -0.0292 USER MOD Single : A 106 LYS NZ :NH3+ 178:sc= -0.491 (180deg=-0.491) USER MOD Single : A 110 THR OG1 : rot -122:sc= 0.864 USER MOD Single : A 112 SER OG : rot 85:sc= -0.796! USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot -66:sc= -1.36! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -2.851 -3.414 -8.806 1.00 0.00 N ATOM 2 CA VAL A 14 -4.033 -2.534 -8.848 1.00 0.00 C ATOM 3 C VAL A 14 -3.507 -1.133 -8.507 1.00 0.00 C ATOM 4 O VAL A 14 -3.203 -0.828 -7.361 1.00 0.00 O ATOM 5 CB VAL A 14 -5.170 -2.957 -7.900 1.00 0.00 C ATOM 6 CG1 VAL A 14 -6.446 -2.224 -8.300 1.00 0.00 C ATOM 7 CG2 VAL A 14 -5.517 -4.443 -7.938 1.00 0.00 C ATOM 0 HA VAL A 14 -4.495 -2.581 -9.834 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.809 -2.715 -6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.258 -2.517 -7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.286 -1.148 -8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.707 -2.482 -9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.328 -4.645 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.830 -4.718 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.641 -5.028 -7.658 1.00 0.00 H new ATOM 17 N GLN A 15 -3.170 -0.452 -9.598 1.00 0.00 N ATOM 18 CA GLN A 15 -2.646 0.931 -9.637 1.00 0.00 C ATOM 19 C GLN A 15 -3.419 1.918 -8.763 1.00 0.00 C ATOM 20 O GLN A 15 -2.842 2.789 -8.103 1.00 0.00 O ATOM 21 CB GLN A 15 -2.656 1.286 -11.144 1.00 0.00 C ATOM 22 CG GLN A 15 -1.895 2.548 -11.537 1.00 0.00 C ATOM 23 CD GLN A 15 -2.628 3.855 -11.203 1.00 0.00 C ATOM 24 OE1 GLN A 15 -3.817 4.043 -11.454 1.00 0.00 O ATOM 25 NE2 GLN A 15 -1.927 4.760 -10.580 1.00 0.00 N ATOM 0 H GLN A 15 -3.255 -0.859 -10.529 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.648 1.000 -9.205 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.238 0.446 -11.698 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.692 1.395 -11.465 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.929 2.548 -11.033 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.696 2.520 -12.608 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.942 4.592 -10.378 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.364 5.636 -10.295 1.00 0.00 H new ATOM 34 N ASP A 16 -4.727 1.814 -8.880 1.00 0.00 N ATOM 35 CA ASP A 16 -5.706 2.587 -8.100 1.00 0.00 C ATOM 36 C ASP A 16 -6.892 1.733 -7.645 1.00 0.00 C ATOM 37 O ASP A 16 -7.881 1.546 -8.362 1.00 0.00 O ATOM 38 CB ASP A 16 -6.108 3.869 -8.849 1.00 0.00 C ATOM 39 CG ASP A 16 -6.857 3.685 -10.178 1.00 0.00 C ATOM 40 OD1 ASP A 16 -6.608 2.688 -10.887 1.00 0.00 O ATOM 41 OD2 ASP A 16 -7.710 4.565 -10.435 1.00 0.00 O ATOM 0 H ASP A 16 -5.165 1.171 -9.539 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.229 2.908 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.732 4.469 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.204 4.446 -9.045 1.00 0.00 H new ATOM 47 N VAL A 17 -6.662 1.080 -6.513 1.00 0.00 N ATOM 48 CA VAL A 17 -7.626 0.154 -5.860 1.00 0.00 C ATOM 49 C VAL A 17 -8.871 0.929 -5.389 1.00 0.00 C ATOM 50 O VAL A 17 -8.806 1.881 -4.619 1.00 0.00 O ATOM 51 CB VAL A 17 -7.042 -0.629 -4.664 1.00 0.00 C ATOM 52 CG1 VAL A 17 -7.785 -1.956 -4.477 1.00 0.00 C ATOM 53 CG2 VAL A 17 -5.554 -0.950 -4.791 1.00 0.00 C ATOM 0 H VAL A 17 -5.786 1.170 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.885 -0.581 -6.622 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.171 0.033 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.360 -2.495 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.840 -1.759 -4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.684 -2.560 -5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.224 -1.501 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.387 -1.556 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.987 -0.022 -4.872 1.00 0.00 H new ATOM 63 N ASN A 18 -10.016 0.472 -5.881 1.00 0.00 N ATOM 64 CA ASN A 18 -11.338 1.040 -5.568 1.00 0.00 C ATOM 65 C ASN A 18 -12.162 0.053 -4.729 1.00 0.00 C ATOM 66 O ASN A 18 -11.861 -1.135 -4.654 1.00 0.00 O ATOM 67 CB ASN A 18 -12.063 1.417 -6.869 1.00 0.00 C ATOM 68 CG ASN A 18 -11.955 0.334 -7.944 1.00 0.00 C ATOM 69 OD1 ASN A 18 -12.551 -0.729 -7.860 1.00 0.00 O ATOM 70 ND2 ASN A 18 -11.070 0.561 -8.892 1.00 0.00 N ATOM 0 H ASN A 18 -10.061 -0.320 -6.523 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.210 1.946 -4.975 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -13.115 1.604 -6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.647 2.348 -7.255 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.866 -0.161 -9.583 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.589 1.459 -8.936 1.00 0.00 H new ATOM 77 N ASP A 19 -13.280 0.557 -4.244 1.00 0.00 N ATOM 78 CA ASP A 19 -14.229 -0.194 -3.373 1.00 0.00 C ATOM 79 C ASP A 19 -14.702 -1.539 -3.920 1.00 0.00 C ATOM 80 O ASP A 19 -14.812 -2.500 -3.161 1.00 0.00 O ATOM 81 CB ASP A 19 -15.430 0.698 -3.012 1.00 0.00 C ATOM 82 CG ASP A 19 -15.053 1.781 -2.009 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.444 1.636 -0.831 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.365 2.738 -2.421 1.00 0.00 O ATOM 0 H ASP A 19 -13.580 1.513 -4.434 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.657 -0.449 -2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.822 1.162 -3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.228 0.082 -2.598 1.00 0.00 H new ATOM 90 N SER A 20 -14.968 -1.599 -5.221 1.00 0.00 N ATOM 91 CA SER A 20 -15.358 -2.859 -5.888 1.00 0.00 C ATOM 92 C SER A 20 -14.204 -3.862 -6.000 1.00 0.00 C ATOM 93 O SER A 20 -14.364 -5.021 -5.612 1.00 0.00 O ATOM 94 CB SER A 20 -15.951 -2.625 -7.285 1.00 0.00 C ATOM 95 OG SER A 20 -15.703 -1.293 -7.740 1.00 0.00 O ATOM 0 H SER A 20 -14.923 -0.793 -5.845 1.00 0.00 H new ATOM 0 HA SER A 20 -16.125 -3.286 -5.241 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.521 -3.338 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.025 -2.809 -7.262 1.00 0.00 H new ATOM 0 HG SER A 20 -14.737 -1.132 -7.771 1.00 0.00 H new ATOM 101 N SER A 21 -13.056 -3.405 -6.504 1.00 0.00 N ATOM 102 CA SER A 21 -11.876 -4.282 -6.588 1.00 0.00 C ATOM 103 C SER A 21 -11.305 -4.701 -5.244 1.00 0.00 C ATOM 104 O SER A 21 -10.785 -5.799 -5.136 1.00 0.00 O ATOM 105 CB SER A 21 -10.743 -3.708 -7.422 1.00 0.00 C ATOM 106 OG SER A 21 -10.334 -2.421 -6.953 1.00 0.00 O ATOM 0 H SER A 21 -12.914 -2.457 -6.854 1.00 0.00 H new ATOM 0 HA SER A 21 -12.281 -5.164 -7.085 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.893 -4.390 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.061 -3.631 -8.462 1.00 0.00 H new ATOM 0 HG SER A 21 -10.886 -2.162 -6.186 1.00 0.00 H new ATOM 112 N TRP A 22 -11.524 -3.888 -4.212 1.00 0.00 N ATOM 113 CA TRP A 22 -11.107 -4.182 -2.840 1.00 0.00 C ATOM 114 C TRP A 22 -11.531 -5.586 -2.396 1.00 0.00 C ATOM 115 O TRP A 22 -10.682 -6.446 -2.137 1.00 0.00 O ATOM 116 CB TRP A 22 -11.724 -3.096 -1.954 1.00 0.00 C ATOM 117 CG TRP A 22 -11.134 -3.145 -0.549 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.662 -3.792 0.480 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.888 -2.672 -0.162 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.811 -3.768 1.511 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.705 -3.130 1.154 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.850 -1.994 -0.840 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.463 -2.958 1.805 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.614 -1.861 -0.219 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.424 -2.328 1.105 1.00 0.00 C ATOM 0 H TRP A 22 -12.003 -2.993 -4.306 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.020 -4.175 -2.762 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.545 -2.115 -2.395 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.805 -3.231 -1.905 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.632 -4.267 0.485 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.985 -4.177 2.429 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.015 -1.585 -1.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.317 -3.304 2.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.794 -1.399 -0.749 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.464 -2.197 1.583 1.00 0.00 H new ATOM 136 N LYS A 23 -12.802 -5.899 -2.599 1.00 0.00 N ATOM 137 CA LYS A 23 -13.326 -7.234 -2.249 1.00 0.00 C ATOM 138 C LYS A 23 -12.709 -8.380 -3.063 1.00 0.00 C ATOM 139 O LYS A 23 -11.897 -9.126 -2.521 1.00 0.00 O ATOM 140 CB LYS A 23 -14.855 -7.248 -2.263 1.00 0.00 C ATOM 141 CG LYS A 23 -15.287 -6.512 -1.002 1.00 0.00 C ATOM 142 CD LYS A 23 -16.812 -6.323 -0.966 1.00 0.00 C ATOM 143 CE LYS A 23 -17.257 -5.624 0.315 1.00 0.00 C ATOM 144 NZ LYS A 23 -16.661 -4.280 0.397 1.00 0.00 N ATOM 0 H LYS A 23 -13.492 -5.263 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.006 -7.430 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.243 -6.756 -3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.237 -8.269 -2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.966 -7.071 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.796 -5.540 -0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -17.128 -5.738 -1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.302 -7.294 -1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.344 -5.549 0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.960 -6.215 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.157 -3.724 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.656 -4.361 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.749 -3.805 -0.524 1.00 0.00 H new ATOM 158 N GLU A 24 -12.841 -8.314 -4.376 1.00 0.00 N ATOM 159 CA GLU A 24 -12.263 -9.357 -5.263 1.00 0.00 C ATOM 160 C GLU A 24 -10.725 -9.463 -5.274 1.00 0.00 C ATOM 161 O GLU A 24 -10.206 -10.578 -5.199 1.00 0.00 O ATOM 162 CB GLU A 24 -12.833 -9.240 -6.681 1.00 0.00 C ATOM 163 CG GLU A 24 -12.720 -7.807 -7.211 1.00 0.00 C ATOM 164 CD GLU A 24 -13.171 -7.678 -8.665 1.00 0.00 C ATOM 165 OE1 GLU A 24 -12.277 -7.748 -9.528 1.00 0.00 O ATOM 166 OE2 GLU A 24 -14.376 -7.436 -8.874 1.00 0.00 O ATOM 0 H GLU A 24 -13.334 -7.567 -4.865 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.578 -10.300 -4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.300 -9.919 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.878 -9.549 -6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.322 -7.145 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.686 -7.473 -7.125 1.00 0.00 H new ATOM 174 N PHE A 25 -10.013 -8.348 -5.195 1.00 0.00 N ATOM 175 CA PHE A 25 -8.527 -8.347 -5.259 1.00 0.00 C ATOM 176 C PHE A 25 -7.723 -8.353 -3.956 1.00 0.00 C ATOM 177 O PHE A 25 -6.534 -8.688 -3.967 1.00 0.00 O ATOM 178 CB PHE A 25 -8.032 -7.196 -6.143 1.00 0.00 C ATOM 179 CG PHE A 25 -8.310 -7.415 -7.629 1.00 0.00 C ATOM 180 CD1 PHE A 25 -7.732 -8.523 -8.306 1.00 0.00 C ATOM 181 CD2 PHE A 25 -8.948 -6.388 -8.361 1.00 0.00 C ATOM 182 CE1 PHE A 25 -7.780 -8.580 -9.723 1.00 0.00 C ATOM 183 CE2 PHE A 25 -8.993 -6.435 -9.768 1.00 0.00 C ATOM 184 CZ PHE A 25 -8.412 -7.534 -10.435 1.00 0.00 C ATOM 0 H PHE A 25 -10.426 -7.422 -5.086 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.327 -9.333 -5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.510 -6.270 -5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.960 -7.069 -5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.259 -9.316 -7.746 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -9.404 -5.561 -7.838 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.339 -9.412 -10.252 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -9.465 -5.641 -10.328 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.451 -7.578 -11.513 1.00 0.00 H new ATOM 194 N VAL A 26 -8.374 -7.982 -2.871 1.00 0.00 N ATOM 195 CA VAL A 26 -7.754 -7.924 -1.521 1.00 0.00 C ATOM 196 C VAL A 26 -8.380 -8.985 -0.610 1.00 0.00 C ATOM 197 O VAL A 26 -7.649 -9.734 0.060 1.00 0.00 O ATOM 198 CB VAL A 26 -7.865 -6.512 -0.891 1.00 0.00 C ATOM 199 CG1 VAL A 26 -7.301 -6.435 0.537 1.00 0.00 C ATOM 200 CG2 VAL A 26 -7.169 -5.460 -1.750 1.00 0.00 C ATOM 0 H VAL A 26 -9.356 -7.706 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.691 -8.137 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.934 -6.307 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.411 -5.419 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.846 -7.125 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.245 -6.706 0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.267 -4.482 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.113 -5.711 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.630 -5.434 -2.738 1.00 0.00 H new ATOM 210 N LEU A 27 -9.711 -9.028 -0.588 1.00 0.00 N ATOM 211 CA LEU A 27 -10.485 -9.952 0.266 1.00 0.00 C ATOM 212 C LEU A 27 -10.714 -11.345 -0.340 1.00 0.00 C ATOM 213 O LEU A 27 -11.143 -12.262 0.349 1.00 0.00 O ATOM 214 CB LEU A 27 -11.824 -9.316 0.668 1.00 0.00 C ATOM 215 CG LEU A 27 -11.728 -8.329 1.836 1.00 0.00 C ATOM 216 CD1 LEU A 27 -10.991 -7.035 1.480 1.00 0.00 C ATOM 217 CD2 LEU A 27 -13.135 -7.977 2.320 1.00 0.00 C ATOM 0 H LEU A 27 -10.295 -8.421 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.868 -10.117 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.241 -8.799 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.524 -10.108 0.934 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.151 -8.825 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.960 -6.382 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.974 -7.270 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.514 -6.530 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.069 -7.275 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.697 -7.522 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.643 -8.883 2.650 1.00 0.00 H new ATOM 229 N GLU A 28 -10.590 -11.444 -1.670 1.00 0.00 N ATOM 230 CA GLU A 28 -10.705 -12.724 -2.392 1.00 0.00 C ATOM 231 C GLU A 28 -9.498 -12.919 -3.318 1.00 0.00 C ATOM 232 O GLU A 28 -9.615 -13.171 -4.527 1.00 0.00 O ATOM 233 CB GLU A 28 -12.026 -12.808 -3.173 1.00 0.00 C ATOM 234 CG GLU A 28 -13.287 -12.877 -2.312 1.00 0.00 C ATOM 235 CD GLU A 28 -13.914 -11.494 -2.065 1.00 0.00 C ATOM 236 OE1 GLU A 28 -13.969 -11.092 -0.887 1.00 0.00 O ATOM 237 OE2 GLU A 28 -14.429 -10.926 -3.052 1.00 0.00 O ATOM 0 H GLU A 28 -10.408 -10.644 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.711 -13.532 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.099 -11.939 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.995 -13.688 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.019 -13.522 -2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.043 -13.337 -1.354 1.00 0.00 H new ATOM 245 N SER A 29 -8.344 -13.013 -2.691 1.00 0.00 N ATOM 246 CA SER A 29 -7.072 -12.944 -3.430 1.00 0.00 C ATOM 247 C SER A 29 -6.211 -14.200 -3.215 1.00 0.00 C ATOM 248 O SER A 29 -6.557 -15.104 -2.459 1.00 0.00 O ATOM 249 CB SER A 29 -6.390 -11.656 -2.945 1.00 0.00 C ATOM 250 OG SER A 29 -5.242 -11.333 -3.723 1.00 0.00 O ATOM 0 H SER A 29 -8.246 -13.136 -1.683 1.00 0.00 H new ATOM 0 HA SER A 29 -7.230 -12.916 -4.508 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.101 -10.831 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.099 -11.771 -1.901 1.00 0.00 H new ATOM 0 HG SER A 29 -5.307 -10.406 -4.033 1.00 0.00 H new ATOM 256 N GLU A 30 -4.964 -14.019 -3.631 1.00 0.00 N ATOM 257 CA GLU A 30 -3.828 -14.965 -3.561 1.00 0.00 C ATOM 258 C GLU A 30 -3.363 -15.286 -2.122 1.00 0.00 C ATOM 259 O GLU A 30 -2.417 -16.033 -1.924 1.00 0.00 O ATOM 260 CB GLU A 30 -2.671 -14.388 -4.374 1.00 0.00 C ATOM 261 CG GLU A 30 -2.181 -13.012 -3.884 1.00 0.00 C ATOM 262 CD GLU A 30 -0.884 -12.609 -4.589 1.00 0.00 C ATOM 263 OE1 GLU A 30 0.139 -12.568 -3.889 1.00 0.00 O ATOM 264 OE2 GLU A 30 -0.961 -12.354 -5.811 1.00 0.00 O ATOM 0 H GLU A 30 -4.685 -13.138 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.169 -15.915 -3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.837 -15.089 -4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.981 -14.301 -5.415 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.949 -12.261 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.019 -13.042 -2.806 1.00 0.00 H new ATOM 272 N VAL A 31 -3.979 -14.534 -1.206 1.00 0.00 N ATOM 273 CA VAL A 31 -3.914 -14.573 0.272 1.00 0.00 C ATOM 274 C VAL A 31 -2.973 -13.520 0.913 1.00 0.00 C ATOM 275 O VAL A 31 -3.541 -12.570 1.462 1.00 0.00 O ATOM 276 CB VAL A 31 -3.975 -15.999 0.853 1.00 0.00 C ATOM 277 CG1 VAL A 31 -4.047 -15.994 2.386 1.00 0.00 C ATOM 278 CG2 VAL A 31 -5.229 -16.728 0.339 1.00 0.00 C ATOM 0 H VAL A 31 -4.611 -13.794 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.857 -14.176 0.648 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.063 -16.504 0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.088 -17.020 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.163 -15.500 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.940 -15.458 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.261 -17.735 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.120 -16.180 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.195 -16.787 -0.749 1.00 0.00 H new ATOM 288 N PRO A 32 -1.624 -13.567 0.814 1.00 0.00 N ATOM 289 CA PRO A 32 -0.771 -12.493 1.356 1.00 0.00 C ATOM 290 C PRO A 32 -0.893 -11.252 0.470 1.00 0.00 C ATOM 291 O PRO A 32 -0.546 -11.251 -0.714 1.00 0.00 O ATOM 292 CB PRO A 32 0.624 -13.094 1.395 1.00 0.00 C ATOM 293 CG PRO A 32 0.633 -14.076 0.223 1.00 0.00 C ATOM 294 CD PRO A 32 -0.783 -14.635 0.238 1.00 0.00 C ATOM 0 HA PRO A 32 -1.052 -12.155 2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.392 -12.329 1.281 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.815 -13.600 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.861 -13.578 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.378 -14.860 0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.113 -14.894 -0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.839 -15.544 0.836 1.00 0.00 H new ATOM 302 N VAL A 33 -1.564 -10.244 1.019 1.00 0.00 N ATOM 303 CA VAL A 33 -1.920 -9.015 0.280 1.00 0.00 C ATOM 304 C VAL A 33 -1.496 -7.772 1.078 1.00 0.00 C ATOM 305 O VAL A 33 -1.498 -7.799 2.305 1.00 0.00 O ATOM 306 CB VAL A 33 -3.441 -9.072 0.031 1.00 0.00 C ATOM 307 CG1 VAL A 33 -4.052 -7.765 -0.469 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.801 -10.184 -0.958 1.00 0.00 C ATOM 0 H VAL A 33 -1.881 -10.246 1.988 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.398 -8.948 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.866 -9.274 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.124 -7.897 -0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.882 -6.979 0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.587 -7.484 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.880 -10.198 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.301 -10.001 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.479 -11.145 -0.558 1.00 0.00 H new ATOM 318 N MET A 34 -1.077 -6.750 0.346 1.00 0.00 N ATOM 319 CA MET A 34 -0.768 -5.440 0.942 1.00 0.00 C ATOM 320 C MET A 34 -1.253 -4.278 0.072 1.00 0.00 C ATOM 321 O MET A 34 -1.336 -4.375 -1.161 1.00 0.00 O ATOM 322 CB MET A 34 0.722 -5.276 1.276 1.00 0.00 C ATOM 323 CG MET A 34 1.631 -5.126 0.063 1.00 0.00 C ATOM 324 SD MET A 34 3.176 -4.220 0.450 1.00 0.00 S ATOM 325 CE MET A 34 3.926 -5.323 1.639 1.00 0.00 C ATOM 0 H MET A 34 -0.940 -6.794 -0.664 1.00 0.00 H new ATOM 0 HA MET A 34 -1.319 -5.410 1.882 1.00 0.00 H new ATOM 0 HB2 MET A 34 0.843 -4.401 1.915 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.049 -6.141 1.854 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.880 -6.114 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.094 -4.601 -0.727 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.487 -4.742 2.371 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.148 -5.893 2.147 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.601 -6.008 1.125 1.00 0.00 H new ATOM 335 N VAL A 35 -1.347 -3.134 0.734 1.00 0.00 N ATOM 336 CA VAL A 35 -1.863 -1.904 0.111 1.00 0.00 C ATOM 337 C VAL A 35 -1.217 -0.609 0.640 1.00 0.00 C ATOM 338 O VAL A 35 -1.081 -0.414 1.851 1.00 0.00 O ATOM 339 CB VAL A 35 -3.391 -1.904 0.246 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.870 -1.781 1.700 1.00 0.00 C ATOM 341 CG2 VAL A 35 -4.026 -0.801 -0.605 1.00 0.00 C ATOM 0 H VAL A 35 -1.073 -3.023 1.710 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.584 -1.910 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.718 -2.876 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.960 -1.787 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.489 -2.621 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.502 -0.848 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.109 -0.828 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.650 0.170 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.771 -0.958 -1.653 1.00 0.00 H new ATOM 351 N ASP A 36 -0.986 0.289 -0.315 1.00 0.00 N ATOM 352 CA ASP A 36 -0.484 1.641 -0.040 1.00 0.00 C ATOM 353 C ASP A 36 -1.551 2.704 -0.361 1.00 0.00 C ATOM 354 O ASP A 36 -2.102 2.759 -1.454 1.00 0.00 O ATOM 355 CB ASP A 36 0.750 1.892 -0.912 1.00 0.00 C ATOM 356 CG ASP A 36 1.531 3.152 -0.519 1.00 0.00 C ATOM 357 OD1 ASP A 36 1.492 3.513 0.686 1.00 0.00 O ATOM 358 OD2 ASP A 36 2.148 3.725 -1.435 1.00 0.00 O ATOM 0 H ASP A 36 -1.141 0.103 -1.306 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.233 1.714 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.412 1.029 -0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.438 1.977 -1.953 1.00 0.00 H new ATOM 364 N PHE A 37 -1.731 3.574 0.623 1.00 0.00 N ATOM 365 CA PHE A 37 -2.663 4.716 0.533 1.00 0.00 C ATOM 366 C PHE A 37 -1.922 6.045 0.324 1.00 0.00 C ATOM 367 O PHE A 37 -1.044 6.415 1.112 1.00 0.00 O ATOM 368 CB PHE A 37 -3.492 4.858 1.809 1.00 0.00 C ATOM 369 CG PHE A 37 -4.571 3.784 1.965 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.246 2.479 2.388 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.919 4.143 1.697 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.258 1.507 2.526 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.940 3.175 1.863 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.595 1.858 2.252 1.00 0.00 C ATOM 0 H PHE A 37 -1.238 3.517 1.514 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.306 4.508 -0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.826 4.819 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.965 5.840 1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.220 2.223 2.607 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.163 5.143 1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.011 0.503 2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.973 3.440 1.694 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.369 1.110 2.340 1.00 0.00 H new ATOM 384 N TRP A 38 -2.304 6.727 -0.744 1.00 0.00 N ATOM 385 CA TRP A 38 -1.785 8.077 -1.056 1.00 0.00 C ATOM 386 C TRP A 38 -2.973 9.002 -1.328 1.00 0.00 C ATOM 387 O TRP A 38 -3.978 8.591 -1.925 1.00 0.00 O ATOM 388 CB TRP A 38 -0.808 8.044 -2.247 1.00 0.00 C ATOM 389 CG TRP A 38 -1.495 7.972 -3.616 1.00 0.00 C ATOM 390 CD1 TRP A 38 -2.043 6.886 -4.137 1.00 0.00 C ATOM 391 CD2 TRP A 38 -1.824 9.041 -4.435 1.00 0.00 C ATOM 392 NE1 TRP A 38 -2.641 7.173 -5.290 1.00 0.00 N ATOM 393 CE2 TRP A 38 -2.584 8.492 -5.484 1.00 0.00 C ATOM 394 CE3 TRP A 38 -1.707 10.443 -4.320 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -3.230 9.322 -6.414 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -2.301 11.267 -5.268 1.00 0.00 C ATOM 397 CH2 TRP A 38 -3.058 10.720 -6.330 1.00 0.00 C ATOM 0 H TRP A 38 -2.978 6.375 -1.424 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.218 8.456 -0.205 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.180 8.934 -2.213 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.147 7.184 -2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.009 5.904 -3.689 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.072 6.497 -5.921 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.157 10.874 -3.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.853 8.895 -7.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.183 12.338 -5.193 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.501 11.368 -7.072 1.00 0.00 H new ATOM 408 N ALA A 39 -2.775 10.293 -1.071 1.00 0.00 N ATOM 409 CA ALA A 39 -3.890 11.232 -1.130 1.00 0.00 C ATOM 410 C ALA A 39 -3.679 12.323 -2.182 1.00 0.00 C ATOM 411 O ALA A 39 -2.641 12.976 -2.177 1.00 0.00 O ATOM 412 CB ALA A 39 -4.113 11.838 0.256 1.00 0.00 C ATOM 0 H ALA A 39 -1.875 10.705 -0.825 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.781 10.683 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.946 12.540 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.341 11.045 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.211 12.362 0.574 1.00 0.00 H new ATOM 418 N PRO A 40 -4.665 12.498 -3.072 1.00 0.00 N ATOM 419 CA PRO A 40 -4.644 13.615 -4.026 1.00 0.00 C ATOM 420 C PRO A 40 -4.611 14.981 -3.317 1.00 0.00 C ATOM 421 O PRO A 40 -4.073 15.938 -3.862 1.00 0.00 O ATOM 422 CB PRO A 40 -5.907 13.469 -4.862 1.00 0.00 C ATOM 423 CG PRO A 40 -6.357 12.018 -4.691 1.00 0.00 C ATOM 424 CD PRO A 40 -5.707 11.510 -3.402 1.00 0.00 C ATOM 0 HA PRO A 40 -3.744 13.581 -4.639 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.680 14.160 -4.526 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.710 13.696 -5.910 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.443 11.954 -4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.050 11.414 -5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.439 11.428 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.277 10.518 -3.543 1.00 0.00 H new ATOM 557 N ALA A 49 4.010 5.054 -3.452 1.00 0.00 N ATOM 558 CA ALA A 49 3.793 3.793 -4.195 1.00 0.00 C ATOM 559 C ALA A 49 5.048 3.018 -4.649 1.00 0.00 C ATOM 560 O ALA A 49 5.105 1.812 -4.385 1.00 0.00 O ATOM 561 CB ALA A 49 2.739 3.976 -5.300 1.00 0.00 C ATOM 0 HA ALA A 49 3.392 3.107 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.600 3.034 -5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.794 4.284 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.076 4.740 -6.001 1.00 0.00 H new ATOM 567 N PRO A 50 6.081 3.688 -5.173 1.00 0.00 N ATOM 568 CA PRO A 50 7.405 3.098 -5.475 1.00 0.00 C ATOM 569 C PRO A 50 8.046 2.295 -4.335 1.00 0.00 C ATOM 570 O PRO A 50 8.542 1.214 -4.607 1.00 0.00 O ATOM 571 CB PRO A 50 8.257 4.290 -5.873 1.00 0.00 C ATOM 572 CG PRO A 50 7.272 5.165 -6.642 1.00 0.00 C ATOM 573 CD PRO A 50 5.964 4.970 -5.867 1.00 0.00 C ATOM 0 HA PRO A 50 7.308 2.344 -6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.663 4.806 -5.003 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.104 3.994 -6.492 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.583 6.210 -6.653 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.177 4.849 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.808 5.783 -5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.109 4.969 -6.543 1.00 0.00 H new ATOM 581 N VAL A 51 7.875 2.733 -3.090 1.00 0.00 N ATOM 582 CA VAL A 51 8.383 1.976 -1.909 1.00 0.00 C ATOM 583 C VAL A 51 7.726 0.590 -1.851 1.00 0.00 C ATOM 584 O VAL A 51 8.419 -0.423 -1.937 1.00 0.00 O ATOM 585 CB VAL A 51 8.170 2.802 -0.615 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.488 2.029 0.666 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.027 4.076 -0.636 1.00 0.00 C ATOM 0 H VAL A 51 7.394 3.601 -2.856 1.00 0.00 H new ATOM 0 HA VAL A 51 9.456 1.813 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 51 7.108 3.047 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.316 2.670 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.844 1.152 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.531 1.713 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.862 4.641 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.080 3.805 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.748 4.688 -1.494 1.00 0.00 H new ATOM 597 N ILE A 52 6.399 0.583 -1.948 1.00 0.00 N ATOM 598 CA ILE A 52 5.576 -0.627 -1.960 1.00 0.00 C ATOM 599 C ILE A 52 5.829 -1.479 -3.218 1.00 0.00 C ATOM 600 O ILE A 52 6.030 -2.684 -3.119 1.00 0.00 O ATOM 601 CB ILE A 52 4.112 -0.190 -1.711 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.831 0.091 -0.225 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.045 -1.174 -2.223 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.593 1.283 0.366 1.00 0.00 C ATOM 0 H ILE A 52 5.851 1.440 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 52 5.847 -1.315 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 52 4.026 0.725 -2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.762 0.264 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.079 -0.801 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.052 -0.781 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.154 -1.301 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.172 -2.137 -1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.328 1.400 1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.665 1.108 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.328 2.190 -0.178 1.00 0.00 H new ATOM 616 N ASP A 53 6.021 -0.797 -4.353 1.00 0.00 N ATOM 617 CA ASP A 53 6.388 -1.442 -5.636 1.00 0.00 C ATOM 618 C ASP A 53 7.680 -2.262 -5.521 1.00 0.00 C ATOM 619 O ASP A 53 7.732 -3.444 -5.845 1.00 0.00 O ATOM 620 CB ASP A 53 6.550 -0.389 -6.729 1.00 0.00 C ATOM 621 CG ASP A 53 5.243 0.129 -7.314 1.00 0.00 C ATOM 622 OD1 ASP A 53 4.937 1.326 -7.108 1.00 0.00 O ATOM 623 OD2 ASP A 53 4.603 -0.680 -8.008 1.00 0.00 O ATOM 0 H ASP A 53 5.928 0.217 -4.417 1.00 0.00 H new ATOM 0 HA ASP A 53 5.579 -2.125 -5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.109 0.454 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.151 -0.811 -7.535 1.00 0.00 H new ATOM 629 N GLU A 54 8.640 -1.633 -4.845 1.00 0.00 N ATOM 630 CA GLU A 54 9.968 -2.205 -4.560 1.00 0.00 C ATOM 631 C GLU A 54 9.981 -3.279 -3.465 1.00 0.00 C ATOM 632 O GLU A 54 10.743 -4.235 -3.547 1.00 0.00 O ATOM 633 CB GLU A 54 10.935 -1.106 -4.178 1.00 0.00 C ATOM 634 CG GLU A 54 11.224 -0.177 -5.364 1.00 0.00 C ATOM 635 CD GLU A 54 12.226 0.911 -4.990 1.00 0.00 C ATOM 636 OE1 GLU A 54 13.431 0.681 -5.244 1.00 0.00 O ATOM 637 OE2 GLU A 54 11.768 1.964 -4.485 1.00 0.00 O ATOM 0 H GLU A 54 8.520 -0.692 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 54 10.271 -2.700 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.522 -0.527 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.867 -1.546 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.613 -0.761 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.295 0.283 -5.702 1.00 0.00 H new ATOM 645 N LEU A 55 9.120 -3.124 -2.460 1.00 0.00 N ATOM 646 CA LEU A 55 8.944 -4.173 -1.429 1.00 0.00 C ATOM 647 C LEU A 55 8.618 -5.573 -2.002 1.00 0.00 C ATOM 648 O LEU A 55 9.165 -6.571 -1.531 1.00 0.00 O ATOM 649 CB LEU A 55 7.843 -3.721 -0.455 1.00 0.00 C ATOM 650 CG LEU A 55 8.238 -2.574 0.489 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.013 -2.110 1.281 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.362 -2.961 1.443 1.00 0.00 C ATOM 0 H LEU A 55 8.536 -2.298 -2.329 1.00 0.00 H new ATOM 0 HA LEU A 55 9.899 -4.288 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.973 -3.411 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.538 -4.577 0.147 1.00 0.00 H new ATOM 0 HG LEU A 55 8.612 -1.759 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.298 -1.297 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.245 -1.761 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.623 -2.942 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.601 -2.114 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.045 -3.804 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.246 -3.241 0.870 1.00 0.00 H new ATOM 664 N ALA A 56 8.056 -5.559 -3.215 1.00 0.00 N ATOM 665 CA ALA A 56 7.675 -6.776 -3.968 1.00 0.00 C ATOM 666 C ALA A 56 8.897 -7.628 -4.355 1.00 0.00 C ATOM 667 O ALA A 56 8.925 -8.823 -4.074 1.00 0.00 O ATOM 668 CB ALA A 56 6.903 -6.384 -5.219 1.00 0.00 C ATOM 0 H ALA A 56 7.847 -4.695 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 56 7.047 -7.383 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.624 -7.282 -5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.003 -5.838 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.528 -5.751 -5.849 1.00 0.00 H new ATOM 674 N LYS A 57 9.900 -6.979 -4.942 1.00 0.00 N ATOM 675 CA LYS A 57 11.181 -7.614 -5.299 1.00 0.00 C ATOM 676 C LYS A 57 12.126 -7.822 -4.107 1.00 0.00 C ATOM 677 O LYS A 57 12.899 -8.779 -4.069 1.00 0.00 O ATOM 678 CB LYS A 57 11.895 -6.839 -6.415 1.00 0.00 C ATOM 679 CG LYS A 57 12.066 -5.373 -6.032 1.00 0.00 C ATOM 680 CD LYS A 57 13.128 -4.652 -6.851 1.00 0.00 C ATOM 681 CE LYS A 57 13.248 -3.252 -6.263 1.00 0.00 C ATOM 682 NZ LYS A 57 14.337 -2.514 -6.902 1.00 0.00 N ATOM 0 H LYS A 57 9.853 -5.990 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 57 10.918 -8.608 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.871 -7.286 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.322 -6.914 -7.340 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.112 -4.860 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.328 -5.310 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.081 -5.178 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.844 -4.609 -7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.310 -2.714 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.427 -3.317 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.402 -1.563 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.234 -3.019 -6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.151 -2.435 -7.922 1.00 0.00 H new ATOM 696 N GLU A 58 11.980 -6.957 -3.108 1.00 0.00 N ATOM 697 CA GLU A 58 12.798 -6.962 -1.883 1.00 0.00 C ATOM 698 C GLU A 58 12.677 -8.263 -1.074 1.00 0.00 C ATOM 699 O GLU A 58 13.577 -8.628 -0.326 1.00 0.00 O ATOM 700 CB GLU A 58 12.343 -5.711 -1.107 1.00 0.00 C ATOM 701 CG GLU A 58 13.198 -5.364 0.100 1.00 0.00 C ATOM 702 CD GLU A 58 12.946 -3.937 0.580 1.00 0.00 C ATOM 703 OE1 GLU A 58 13.074 -3.013 -0.270 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.634 -3.777 1.786 1.00 0.00 O ATOM 0 H GLU A 58 11.279 -6.216 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 58 13.863 -6.926 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.338 -4.860 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.315 -5.860 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.986 -6.063 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.251 -5.482 -0.154 1.00 0.00 H new ATOM 712 N TYR A 59 11.489 -8.849 -1.156 1.00 0.00 N ATOM 713 CA TYR A 59 11.196 -10.189 -0.639 1.00 0.00 C ATOM 714 C TYR A 59 10.288 -10.947 -1.620 1.00 0.00 C ATOM 715 O TYR A 59 9.062 -10.931 -1.533 1.00 0.00 O ATOM 716 CB TYR A 59 10.699 -10.122 0.815 1.00 0.00 C ATOM 717 CG TYR A 59 9.686 -9.013 1.120 1.00 0.00 C ATOM 718 CD1 TYR A 59 8.330 -9.211 0.814 1.00 0.00 C ATOM 719 CD2 TYR A 59 10.178 -7.767 1.567 1.00 0.00 C ATOM 720 CE1 TYR A 59 7.432 -8.138 0.949 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.288 -6.691 1.697 1.00 0.00 C ATOM 722 CZ TYR A 59 7.929 -6.899 1.380 1.00 0.00 C ATOM 723 OH TYR A 59 7.053 -5.867 1.469 1.00 0.00 O ATOM 0 H TYR A 59 10.683 -8.401 -1.592 1.00 0.00 H new ATOM 0 HA TYR A 59 12.108 -10.782 -0.581 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.248 -11.081 1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 59 11.561 -9.991 1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.981 -10.177 0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.224 -7.645 1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.383 -8.265 0.726 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.635 -5.725 2.032 1.00 0.00 H new ATOM 0 HH TYR A 59 7.475 -5.120 1.942 1.00 0.00 H new ATOM 733 N SER A 60 10.941 -11.147 -2.757 1.00 0.00 N ATOM 734 CA SER A 60 10.498 -11.859 -3.985 1.00 0.00 C ATOM 735 C SER A 60 9.056 -12.398 -4.024 1.00 0.00 C ATOM 736 O SER A 60 8.775 -13.561 -3.762 1.00 0.00 O ATOM 737 CB SER A 60 11.496 -12.968 -4.315 1.00 0.00 C ATOM 738 OG SER A 60 12.805 -12.398 -4.384 1.00 0.00 O ATOM 0 H SER A 60 11.888 -10.786 -2.871 1.00 0.00 H new ATOM 0 HA SER A 60 10.479 -11.080 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.462 -13.746 -3.553 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.238 -13.439 -5.263 1.00 0.00 H new ATOM 0 HG SER A 60 13.457 -13.099 -4.594 1.00 0.00 H new ATOM 744 N GLY A 61 8.163 -11.453 -4.294 1.00 0.00 N ATOM 745 CA GLY A 61 6.704 -11.663 -4.436 1.00 0.00 C ATOM 746 C GLY A 61 5.996 -12.379 -3.279 1.00 0.00 C ATOM 747 O GLY A 61 4.996 -13.062 -3.479 1.00 0.00 O ATOM 0 H GLY A 61 8.433 -10.478 -4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.232 -10.690 -4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.529 -12.234 -5.348 1.00 0.00 H new ATOM 751 N LYS A 62 6.451 -12.109 -2.058 1.00 0.00 N ATOM 752 CA LYS A 62 5.855 -12.641 -0.820 1.00 0.00 C ATOM 753 C LYS A 62 4.393 -12.247 -0.548 1.00 0.00 C ATOM 754 O LYS A 62 3.685 -12.916 0.204 1.00 0.00 O ATOM 755 CB LYS A 62 6.755 -12.172 0.323 1.00 0.00 C ATOM 756 CG LYS A 62 7.892 -13.172 0.510 1.00 0.00 C ATOM 757 CD LYS A 62 8.716 -12.878 1.759 1.00 0.00 C ATOM 758 CE LYS A 62 10.032 -13.656 1.733 1.00 0.00 C ATOM 759 NZ LYS A 62 10.772 -13.381 2.972 1.00 0.00 N ATOM 0 H LYS A 62 7.256 -11.506 -1.891 1.00 0.00 H new ATOM 0 HA LYS A 62 5.805 -13.725 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.157 -11.183 0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.178 -12.083 1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.481 -14.179 0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.541 -13.150 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.921 -11.809 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.146 -13.147 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.837 -14.724 1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.626 -13.364 0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.646 -13.945 2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.012 -12.370 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.183 -13.633 3.791 1.00 0.00 H new ATOM 773 N ILE A 63 4.011 -11.122 -1.142 1.00 0.00 N ATOM 774 CA ILE A 63 2.699 -10.448 -1.022 1.00 0.00 C ATOM 775 C ILE A 63 2.244 -9.846 -2.358 1.00 0.00 C ATOM 776 O ILE A 63 3.043 -9.693 -3.288 1.00 0.00 O ATOM 777 CB ILE A 63 2.765 -9.344 0.056 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.088 -8.558 0.124 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.474 -9.923 1.442 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.424 -7.735 -1.121 1.00 0.00 C ATOM 0 H ILE A 63 4.641 -10.614 -1.763 1.00 0.00 H new ATOM 0 HA ILE A 63 1.968 -11.201 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 63 2.000 -8.631 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.050 -7.888 0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.901 -9.262 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.526 -9.128 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.477 -10.364 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.212 -10.690 1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.373 -7.221 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.501 -8.396 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.637 -7.001 -1.295 1.00 0.00 H new ATOM 792 N ALA A 64 0.971 -9.483 -2.415 1.00 0.00 N ATOM 793 CA ALA A 64 0.367 -8.754 -3.551 1.00 0.00 C ATOM 794 C ALA A 64 0.386 -7.239 -3.278 1.00 0.00 C ATOM 795 O ALA A 64 -0.195 -6.765 -2.305 1.00 0.00 O ATOM 796 CB ALA A 64 -1.066 -9.238 -3.772 1.00 0.00 C ATOM 0 H ALA A 64 0.307 -9.684 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 64 0.948 -8.950 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.507 -8.698 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.060 -10.306 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.654 -9.056 -2.873 1.00 0.00 H new ATOM 802 N VAL A 65 1.143 -6.518 -4.105 1.00 0.00 N ATOM 803 CA VAL A 65 1.374 -5.070 -3.976 1.00 0.00 C ATOM 804 C VAL A 65 0.382 -4.158 -4.718 1.00 0.00 C ATOM 805 O VAL A 65 0.382 -4.049 -5.947 1.00 0.00 O ATOM 806 CB VAL A 65 2.828 -4.721 -4.342 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.745 -4.927 -3.135 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.383 -5.429 -5.583 1.00 0.00 C ATOM 0 H VAL A 65 1.626 -6.929 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 65 1.188 -4.856 -2.923 1.00 0.00 H new ATOM 0 HB VAL A 65 2.806 -3.667 -4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.770 -4.676 -3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.420 -4.283 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.699 -5.969 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.412 -5.113 -5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.355 -6.508 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.777 -5.170 -6.451 1.00 0.00 H new ATOM 818 N TYR A 66 -0.482 -3.547 -3.909 1.00 0.00 N ATOM 819 CA TYR A 66 -1.522 -2.606 -4.370 1.00 0.00 C ATOM 820 C TYR A 66 -1.282 -1.175 -3.887 1.00 0.00 C ATOM 821 O TYR A 66 -0.602 -0.929 -2.889 1.00 0.00 O ATOM 822 CB TYR A 66 -2.897 -3.037 -3.851 1.00 0.00 C ATOM 823 CG TYR A 66 -3.328 -4.421 -4.328 1.00 0.00 C ATOM 824 CD1 TYR A 66 -2.925 -4.927 -5.579 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.966 -5.241 -3.371 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.106 -6.293 -5.866 1.00 0.00 C ATOM 827 CE2 TYR A 66 -4.161 -6.611 -3.662 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.714 -7.118 -4.903 1.00 0.00 C ATOM 829 OH TYR A 66 -3.960 -8.415 -5.201 1.00 0.00 O ATOM 0 H TYR A 66 -0.486 -3.688 -2.899 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.481 -2.625 -5.459 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.884 -3.026 -2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.640 -2.306 -4.168 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.480 -4.271 -6.313 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -4.300 -4.828 -2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.783 -6.702 -6.812 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.644 -7.260 -2.947 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.852 -8.661 -4.878 1.00 0.00 H new ATOM 839 N LYS A 67 -1.944 -0.263 -4.579 1.00 0.00 N ATOM 840 CA LYS A 67 -1.866 1.184 -4.303 1.00 0.00 C ATOM 841 C LYS A 67 -3.144 1.891 -4.759 1.00 0.00 C ATOM 842 O LYS A 67 -3.784 1.474 -5.718 1.00 0.00 O ATOM 843 CB LYS A 67 -0.611 1.841 -4.886 1.00 0.00 C ATOM 844 CG LYS A 67 -0.261 1.492 -6.352 1.00 0.00 C ATOM 845 CD LYS A 67 0.472 0.157 -6.535 1.00 0.00 C ATOM 846 CE LYS A 67 1.870 0.122 -5.911 1.00 0.00 C ATOM 847 NZ LYS A 67 2.381 -1.264 -5.929 1.00 0.00 N ATOM 0 H LYS A 67 -2.560 -0.496 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.780 1.296 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.727 2.922 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.238 1.568 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.181 1.469 -6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.357 2.290 -6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.130 -0.639 -6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.556 -0.056 -7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.544 0.777 -6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.833 0.494 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.331 -1.289 -5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.742 -1.877 -5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.431 -1.603 -6.911 1.00 0.00 H new ATOM 861 N LEU A 68 -3.681 2.681 -3.831 1.00 0.00 N ATOM 862 CA LEU A 68 -4.889 3.460 -4.133 1.00 0.00 C ATOM 863 C LEU A 68 -4.884 4.960 -3.851 1.00 0.00 C ATOM 864 O LEU A 68 -4.371 5.455 -2.843 1.00 0.00 O ATOM 865 CB LEU A 68 -6.129 2.803 -3.524 1.00 0.00 C ATOM 866 CG LEU A 68 -6.266 2.898 -2.013 1.00 0.00 C ATOM 867 CD1 LEU A 68 -7.388 3.874 -1.676 1.00 0.00 C ATOM 868 CD2 LEU A 68 -6.645 1.523 -1.457 1.00 0.00 C ATOM 0 H LEU A 68 -3.314 2.800 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.910 3.428 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.012 3.253 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.130 1.749 -3.802 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.324 3.236 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.493 3.948 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.151 4.856 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.323 3.517 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.745 1.584 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.592 1.203 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.868 0.802 -1.710 1.00 0.00 H new ATOM 880 N ASN A 69 -5.677 5.601 -4.702 1.00 0.00 N ATOM 881 CA ASN A 69 -6.029 7.028 -4.616 1.00 0.00 C ATOM 882 C ASN A 69 -7.100 7.082 -3.533 1.00 0.00 C ATOM 883 O ASN A 69 -8.222 6.595 -3.714 1.00 0.00 O ATOM 884 CB ASN A 69 -6.610 7.554 -5.922 1.00 0.00 C ATOM 885 CG ASN A 69 -5.831 7.278 -7.211 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.819 6.597 -7.273 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.364 7.781 -8.303 1.00 0.00 N ATOM 0 H ASN A 69 -6.110 5.134 -5.499 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.152 7.639 -4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.609 7.134 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.727 8.633 -5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.932 7.603 -9.210 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.209 8.349 -8.243 1.00 0.00 H new ATOM 894 N THR A 70 -6.714 7.614 -2.394 1.00 0.00 N ATOM 895 CA THR A 70 -7.620 7.688 -1.223 1.00 0.00 C ATOM 896 C THR A 70 -8.988 8.313 -1.509 1.00 0.00 C ATOM 897 O THR A 70 -10.021 7.720 -1.207 1.00 0.00 O ATOM 898 CB THR A 70 -6.993 8.442 -0.068 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.635 9.772 -0.460 1.00 0.00 O ATOM 900 CG2 THR A 70 -5.811 7.666 0.515 1.00 0.00 C ATOM 0 H THR A 70 -5.786 8.006 -2.234 1.00 0.00 H new ATOM 0 HA THR A 70 -7.781 6.642 -0.961 1.00 0.00 H new ATOM 0 HB THR A 70 -7.733 8.535 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.384 10.290 0.333 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.379 8.229 1.342 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.155 6.697 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.056 7.519 -0.257 1.00 0.00 H new ATOM 908 N ASP A 71 -8.965 9.373 -2.324 1.00 0.00 N ATOM 909 CA ASP A 71 -10.193 10.070 -2.763 1.00 0.00 C ATOM 910 C ASP A 71 -11.005 9.301 -3.810 1.00 0.00 C ATOM 911 O ASP A 71 -12.156 9.633 -4.064 1.00 0.00 O ATOM 912 CB ASP A 71 -9.907 11.505 -3.220 1.00 0.00 C ATOM 913 CG ASP A 71 -9.391 12.389 -2.085 1.00 0.00 C ATOM 914 OD1 ASP A 71 -8.238 12.868 -2.222 1.00 0.00 O ATOM 915 OD2 ASP A 71 -10.101 12.517 -1.063 1.00 0.00 O ATOM 0 H ASP A 71 -8.106 9.774 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.824 10.118 -1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.172 11.487 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.818 11.941 -3.630 1.00 0.00 H new ATOM 921 N GLU A 72 -10.382 8.301 -4.435 1.00 0.00 N ATOM 922 CA GLU A 72 -11.066 7.361 -5.356 1.00 0.00 C ATOM 923 C GLU A 72 -11.817 6.274 -4.568 1.00 0.00 C ATOM 924 O GLU A 72 -12.830 5.753 -5.031 1.00 0.00 O ATOM 925 CB GLU A 72 -10.015 6.748 -6.297 1.00 0.00 C ATOM 926 CG GLU A 72 -10.538 5.712 -7.297 1.00 0.00 C ATOM 927 CD GLU A 72 -9.604 4.507 -7.461 1.00 0.00 C ATOM 928 OE1 GLU A 72 -8.491 4.513 -6.892 1.00 0.00 O ATOM 929 OE2 GLU A 72 -10.040 3.561 -8.166 1.00 0.00 O ATOM 0 H GLU A 72 -9.386 8.110 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.810 7.895 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.539 7.555 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.240 6.280 -5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.517 5.363 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.678 6.190 -8.267 1.00 0.00 H new ATOM 937 N ALA A 73 -11.255 5.906 -3.416 1.00 0.00 N ATOM 938 CA ALA A 73 -11.857 4.913 -2.510 1.00 0.00 C ATOM 939 C ALA A 73 -11.927 5.402 -1.047 1.00 0.00 C ATOM 940 O ALA A 73 -11.369 4.771 -0.141 1.00 0.00 O ATOM 941 CB ALA A 73 -11.091 3.596 -2.689 1.00 0.00 C ATOM 0 H ALA A 73 -10.370 6.285 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.903 4.753 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.513 2.837 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.174 3.265 -3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.041 3.749 -2.440 1.00 0.00 H new ATOM 947 N PRO A 74 -12.786 6.405 -0.760 1.00 0.00 N ATOM 948 CA PRO A 74 -12.871 7.019 0.580 1.00 0.00 C ATOM 949 C PRO A 74 -13.398 6.037 1.640 1.00 0.00 C ATOM 950 O PRO A 74 -12.797 5.925 2.705 1.00 0.00 O ATOM 951 CB PRO A 74 -13.830 8.210 0.448 1.00 0.00 C ATOM 952 CG PRO A 74 -14.160 8.311 -1.040 1.00 0.00 C ATOM 953 CD PRO A 74 -13.834 6.947 -1.646 1.00 0.00 C ATOM 0 HA PRO A 74 -11.878 7.323 0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.732 8.054 1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.367 9.128 0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.210 8.561 -1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.574 9.098 -1.516 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.711 6.300 -1.669 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.480 7.040 -2.673 1.00 0.00 H new ATOM 961 N GLY A 75 -14.371 5.218 1.231 1.00 0.00 N ATOM 962 CA GLY A 75 -15.033 4.162 2.024 1.00 0.00 C ATOM 963 C GLY A 75 -14.058 3.139 2.617 1.00 0.00 C ATOM 964 O GLY A 75 -14.160 2.755 3.773 1.00 0.00 O ATOM 0 H GLY A 75 -14.744 5.272 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.596 4.626 2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.753 3.642 1.392 1.00 0.00 H new ATOM 968 N ILE A 76 -13.061 2.776 1.817 1.00 0.00 N ATOM 969 CA ILE A 76 -11.971 1.884 2.225 1.00 0.00 C ATOM 970 C ILE A 76 -11.176 2.502 3.390 1.00 0.00 C ATOM 971 O ILE A 76 -11.251 2.024 4.521 1.00 0.00 O ATOM 972 CB ILE A 76 -11.139 1.566 0.964 1.00 0.00 C ATOM 973 CG1 ILE A 76 -11.966 0.803 -0.086 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.838 0.828 1.280 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.703 -0.430 0.465 1.00 0.00 C ATOM 0 H ILE A 76 -12.982 3.096 0.852 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.338 0.938 2.623 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.858 2.529 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.697 1.484 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.305 0.487 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.297 0.632 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.222 1.442 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.066 -0.117 1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.261 -0.910 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.979 -1.134 0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.392 -0.121 1.251 1.00 0.00 H new ATOM 987 N ALA A 77 -10.724 3.725 3.143 1.00 0.00 N ATOM 988 CA ALA A 77 -10.039 4.551 4.147 1.00 0.00 C ATOM 989 C ALA A 77 -10.878 4.785 5.414 1.00 0.00 C ATOM 990 O ALA A 77 -10.343 4.665 6.506 1.00 0.00 O ATOM 991 CB ALA A 77 -9.627 5.882 3.503 1.00 0.00 C ATOM 0 H ALA A 77 -10.820 4.181 2.236 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.155 4.007 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.118 6.501 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.956 5.689 2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.515 6.402 3.143 1.00 0.00 H new ATOM 997 N THR A 78 -12.198 4.942 5.251 1.00 0.00 N ATOM 998 CA THR A 78 -13.139 5.053 6.383 1.00 0.00 C ATOM 999 C THR A 78 -13.060 3.782 7.261 1.00 0.00 C ATOM 1000 O THR A 78 -12.654 3.841 8.411 1.00 0.00 O ATOM 1001 CB THR A 78 -14.588 5.069 5.906 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.791 5.907 4.753 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.555 5.487 7.011 1.00 0.00 C ATOM 0 H THR A 78 -12.646 4.996 4.336 1.00 0.00 H new ATOM 0 HA THR A 78 -12.869 5.968 6.911 1.00 0.00 H new ATOM 0 HB THR A 78 -14.802 4.039 5.619 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.752 6.007 4.586 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.574 5.483 6.624 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.481 4.787 7.843 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.302 6.489 7.356 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.398 2.655 6.629 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.574 1.366 7.308 1.00 0.00 C ATOM 1013 C GLN A 79 -12.320 0.782 7.995 1.00 0.00 C ATOM 1014 O GLN A 79 -12.425 -0.132 8.808 1.00 0.00 O ATOM 1015 CB GLN A 79 -14.244 0.313 6.417 1.00 0.00 C ATOM 1016 CG GLN A 79 -13.543 -0.009 5.093 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.228 -1.055 4.199 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -13.621 -1.867 3.521 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -15.508 -1.255 4.346 1.00 0.00 N ATOM 0 H GLN A 79 -13.559 2.610 5.623 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.249 1.620 8.125 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.334 -0.611 6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -15.257 0.649 6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.444 0.916 4.524 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.534 -0.356 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.065 -0.607 4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -15.953 -2.060 3.904 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.163 1.267 7.542 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.854 0.914 8.134 1.00 0.00 C ATOM 1030 C TYR A 80 -9.219 2.049 8.950 1.00 0.00 C ATOM 1031 O TYR A 80 -8.053 1.986 9.328 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.931 0.458 6.996 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.471 -0.741 6.207 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.989 -1.856 6.907 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.683 -0.552 4.822 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.806 -2.771 6.224 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.498 -1.477 4.139 1.00 0.00 C ATOM 1038 CZ TYR A 80 -11.055 -2.561 4.849 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.751 -3.511 4.190 1.00 0.00 O ATOM 0 H TYR A 80 -11.097 1.915 6.757 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.008 0.111 8.854 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.774 1.291 6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.957 0.199 7.412 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.759 -2.001 7.952 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.232 0.280 4.301 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -11.235 -3.618 6.739 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.694 -1.357 3.084 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.630 -3.158 3.939 1.00 0.00 H new ATOM 1049 N ASN A 81 -9.990 3.112 9.173 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.595 4.331 9.931 1.00 0.00 C ATOM 1051 C ASN A 81 -8.265 4.960 9.479 1.00 0.00 C ATOM 1052 O ASN A 81 -7.562 5.621 10.245 1.00 0.00 O ATOM 1053 CB ASN A 81 -9.631 4.057 11.439 1.00 0.00 C ATOM 1054 CG ASN A 81 -11.066 4.038 11.948 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -11.591 5.197 12.293 1.00 0.00 O flip ATOM 1056 ND2 ASN A 81 -11.733 3.019 12.038 1.00 0.00 N flip ATOM 0 H ASN A 81 -10.947 3.165 8.823 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.339 5.092 9.697 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.152 3.101 11.652 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.063 4.823 11.967 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.330 2.121 11.772 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.693 3.066 12.379 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.097 4.984 8.166 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.874 5.517 7.524 1.00 0.00 C ATOM 1065 C ILE A 82 -7.100 7.007 7.224 1.00 0.00 C ATOM 1066 O ILE A 82 -7.927 7.398 6.410 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.314 4.623 6.377 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.226 5.277 4.991 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.964 3.242 6.224 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -5.118 6.321 4.889 1.00 0.00 C ATOM 0 H ILE A 82 -8.793 4.639 7.505 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.028 5.467 8.210 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.299 4.484 6.750 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.058 4.504 4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.181 5.746 4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.496 2.709 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.830 2.673 7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.029 3.361 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.109 6.745 3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.297 7.113 5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.156 5.851 5.093 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.614 7.736 8.207 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.568 9.217 8.200 1.00 0.00 C ATOM 1084 C ARG A 83 -5.181 9.732 7.787 1.00 0.00 C ATOM 1085 O ARG A 83 -5.040 10.726 7.078 1.00 0.00 O ATOM 1086 CB ARG A 83 -6.901 9.712 9.607 1.00 0.00 C ATOM 1087 CG ARG A 83 -8.322 9.327 9.990 1.00 0.00 C ATOM 1088 CD ARG A 83 -8.519 9.460 11.500 1.00 0.00 C ATOM 1089 NE ARG A 83 -9.899 9.083 11.813 1.00 0.00 N ATOM 1090 CZ ARG A 83 -10.285 8.165 12.697 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -9.500 7.139 13.007 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -11.569 8.030 12.994 1.00 0.00 N ATOM 0 H ARG A 83 -6.228 7.326 9.057 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.290 9.593 7.475 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.198 9.287 10.323 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.787 10.795 9.653 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.033 9.966 9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.525 8.302 9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.818 8.817 12.033 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.322 10.483 11.821 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.636 9.571 11.304 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.585 7.045 12.566 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.812 6.445 13.686 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.262 8.629 12.546 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.865 7.327 13.671 1.00 0.00 H new ATOM 1106 N SER A 84 -4.163 8.959 8.176 1.00 0.00 N ATOM 1107 CA SER A 84 -2.746 9.256 7.924 1.00 0.00 C ATOM 1108 C SER A 84 -2.294 8.820 6.528 1.00 0.00 C ATOM 1109 O SER A 84 -2.594 7.713 6.072 1.00 0.00 O ATOM 1110 CB SER A 84 -1.874 8.561 8.963 1.00 0.00 C ATOM 1111 OG SER A 84 -2.354 7.221 9.183 1.00 0.00 O ATOM 0 H SER A 84 -4.303 8.088 8.687 1.00 0.00 H new ATOM 0 HA SER A 84 -2.635 10.338 7.991 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.838 8.535 8.624 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.890 9.121 9.898 1.00 0.00 H new ATOM 0 HG SER A 84 -2.222 6.689 8.371 1.00 0.00 H new ATOM 1117 N ILE A 85 -1.631 9.749 5.854 1.00 0.00 N ATOM 1118 CA ILE A 85 -0.984 9.462 4.560 1.00 0.00 C ATOM 1119 C ILE A 85 0.539 9.524 4.774 1.00 0.00 C ATOM 1120 O ILE A 85 1.059 10.620 4.965 1.00 0.00 O ATOM 1121 CB ILE A 85 -1.533 10.360 3.422 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.039 10.143 3.238 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -0.756 10.146 2.121 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -3.481 8.719 2.906 1.00 0.00 C ATOM 0 H ILE A 85 -1.521 10.712 6.173 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.226 8.458 4.212 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.387 11.402 3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.544 10.454 4.153 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.385 10.803 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.165 10.790 1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.294 10.391 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.843 9.104 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.565 8.690 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.016 8.402 1.972 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.177 8.047 3.709 1.00 0.00 H new ATOM 1136 N PRO A 86 1.200 8.363 4.640 1.00 0.00 N ATOM 1137 CA PRO A 86 0.607 7.062 4.277 1.00 0.00 C ATOM 1138 C PRO A 86 0.141 6.194 5.460 1.00 0.00 C ATOM 1139 O PRO A 86 0.319 6.528 6.632 1.00 0.00 O ATOM 1140 CB PRO A 86 1.740 6.363 3.534 1.00 0.00 C ATOM 1141 CG PRO A 86 2.974 6.832 4.286 1.00 0.00 C ATOM 1142 CD PRO A 86 2.682 8.283 4.649 1.00 0.00 C ATOM 0 HA PRO A 86 -0.308 7.214 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.635 5.278 3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.773 6.651 2.483 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.147 6.229 5.177 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.868 6.751 3.668 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.090 8.540 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.123 8.972 3.928 1.00 0.00 H new ATOM 1150 N THR A 87 -0.719 5.243 5.093 1.00 0.00 N ATOM 1151 CA THR A 87 -1.071 4.081 5.928 1.00 0.00 C ATOM 1152 C THR A 87 -1.011 2.867 4.988 1.00 0.00 C ATOM 1153 O THR A 87 -1.602 2.879 3.908 1.00 0.00 O ATOM 1154 CB THR A 87 -2.447 4.159 6.609 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.554 5.400 7.299 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.660 3.011 7.606 1.00 0.00 C ATOM 0 H THR A 87 -1.201 5.254 4.194 1.00 0.00 H new ATOM 0 HA THR A 87 -0.371 4.025 6.762 1.00 0.00 H new ATOM 0 HB THR A 87 -3.210 4.077 5.835 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.662 6.127 6.650 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.645 3.105 8.064 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.593 2.057 7.083 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.894 3.055 8.380 1.00 0.00 H new ATOM 1164 N VAL A 88 -0.130 1.951 5.356 1.00 0.00 N ATOM 1165 CA VAL A 88 0.117 0.710 4.597 1.00 0.00 C ATOM 1166 C VAL A 88 -0.294 -0.517 5.421 1.00 0.00 C ATOM 1167 O VAL A 88 0.223 -0.766 6.516 1.00 0.00 O ATOM 1168 CB VAL A 88 1.551 0.697 4.008 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.649 0.883 5.054 1.00 0.00 C ATOM 1170 CG2 VAL A 88 1.810 -0.540 3.149 1.00 0.00 C ATOM 0 H VAL A 88 0.444 2.037 6.195 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.525 0.667 3.717 1.00 0.00 H new ATOM 0 HB VAL A 88 1.598 1.573 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.624 0.863 4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.515 1.841 5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.593 0.078 5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.827 -0.505 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.685 -1.437 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.103 -0.562 2.320 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.246 -1.250 4.848 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.922 -2.388 5.512 1.00 0.00 C ATOM 1182 C LEU A 89 -1.509 -3.730 4.902 1.00 0.00 C ATOM 1183 O LEU A 89 -1.363 -3.836 3.687 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.450 -2.262 5.366 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.133 -1.152 6.173 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.897 0.241 5.608 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.639 -1.408 6.152 1.00 0.00 C ATOM 0 H LEU A 89 -1.581 -1.078 3.900 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.626 -2.359 6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.679 -2.105 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.898 -3.214 5.651 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.709 -1.178 7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.409 0.977 6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.828 0.454 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.285 0.291 4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.148 -0.630 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.996 -1.397 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.849 -2.380 6.598 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.462 -4.747 5.756 1.00 0.00 N ATOM 1200 CA PHE A 90 -1.068 -6.123 5.401 1.00 0.00 C ATOM 1201 C PHE A 90 -2.165 -7.099 5.843 1.00 0.00 C ATOM 1202 O PHE A 90 -2.634 -7.103 6.982 1.00 0.00 O ATOM 1203 CB PHE A 90 0.259 -6.541 6.053 1.00 0.00 C ATOM 1204 CG PHE A 90 1.352 -5.478 5.935 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.881 -5.186 4.661 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.584 -4.627 7.039 1.00 0.00 C ATOM 1207 CE1 PHE A 90 2.631 -4.001 4.473 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.334 -3.443 6.851 1.00 0.00 C ATOM 1209 CZ PHE A 90 2.847 -3.143 5.574 1.00 0.00 C ATOM 0 H PHE A 90 -1.701 -4.644 6.742 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.933 -6.151 4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.085 -6.758 7.107 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.608 -7.464 5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.715 -5.862 3.835 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.193 -4.878 8.014 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.033 -3.756 3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.512 -2.774 7.680 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.418 -2.237 5.434 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.540 -7.905 4.867 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.656 -8.864 4.937 1.00 0.00 C ATOM 1221 C PHE A 91 -3.284 -10.299 4.596 1.00 0.00 C ATOM 1222 O PHE A 91 -2.476 -10.584 3.719 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.744 -8.443 3.939 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.199 -6.996 4.085 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -6.282 -6.681 4.937 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -4.608 -6.015 3.255 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -6.801 -5.378 4.939 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -5.127 -4.712 3.256 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.214 -4.406 4.099 1.00 0.00 C ATOM 0 H PHE A 91 -2.065 -7.920 3.964 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.987 -8.844 5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.371 -8.594 2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.607 -9.098 4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.706 -7.437 5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.766 -6.267 2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.637 -5.122 5.573 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.699 -3.953 2.619 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.609 -3.401 4.103 1.00 0.00 H new ATOM 1239 N LYS A 92 -4.070 -11.141 5.248 1.00 0.00 N ATOM 1240 CA LYS A 92 -4.147 -12.583 4.936 1.00 0.00 C ATOM 1241 C LYS A 92 -5.594 -12.869 4.488 1.00 0.00 C ATOM 1242 O LYS A 92 -6.545 -12.906 5.260 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.637 -13.470 6.074 1.00 0.00 C ATOM 1244 CG LYS A 92 -4.513 -13.448 7.310 1.00 0.00 C ATOM 1245 CD LYS A 92 -3.803 -14.114 8.476 1.00 0.00 C ATOM 1246 CE LYS A 92 -4.623 -14.044 9.771 1.00 0.00 C ATOM 1247 NZ LYS A 92 -4.802 -12.645 10.197 1.00 0.00 N ATOM 0 H LYS A 92 -4.680 -10.855 6.014 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.469 -12.841 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.559 -14.496 5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.631 -13.151 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.762 -12.419 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.452 -13.962 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.604 -15.157 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.837 -13.634 8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.596 -14.510 9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.120 -14.608 10.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.144 -12.622 11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.893 -12.144 10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.496 -12.180 9.578 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.723 -12.448 3.245 1.00 0.00 N ATOM 1262 CA ASN A 93 -6.950 -12.494 2.420 1.00 0.00 C ATOM 1263 C ASN A 93 -8.055 -11.619 3.039 1.00 0.00 C ATOM 1264 O ASN A 93 -9.027 -12.095 3.626 1.00 0.00 O ATOM 1265 CB ASN A 93 -7.353 -13.961 2.275 1.00 0.00 C ATOM 1266 CG ASN A 93 -8.412 -14.144 1.194 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -8.230 -13.863 0.018 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -9.613 -14.452 1.644 1.00 0.00 N ATOM 0 H ASN A 93 -4.938 -12.038 2.739 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.775 -12.080 1.427 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.475 -14.558 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.735 -14.330 3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.410 -14.459 1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.745 -14.684 2.629 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.802 -10.326 2.940 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.622 -9.258 3.551 1.00 0.00 C ATOM 1277 C GLY A 94 -8.705 -9.246 5.090 1.00 0.00 C ATOM 1278 O GLY A 94 -9.347 -8.368 5.660 1.00 0.00 O ATOM 0 H GLY A 94 -7.002 -9.965 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.227 -8.296 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.635 -9.338 3.156 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.914 -10.091 5.728 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.908 -10.194 7.196 1.00 0.00 C ATOM 1284 C GLU A 95 -6.583 -9.635 7.719 1.00 0.00 C ATOM 1285 O GLU A 95 -5.494 -10.142 7.470 1.00 0.00 O ATOM 1286 CB GLU A 95 -8.107 -11.614 7.706 1.00 0.00 C ATOM 1287 CG GLU A 95 -9.432 -12.252 7.242 1.00 0.00 C ATOM 1288 CD GLU A 95 -10.673 -11.575 7.853 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -10.833 -11.711 9.082 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -11.434 -10.976 7.076 1.00 0.00 O ATOM 0 H GLU A 95 -7.262 -10.721 5.261 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.755 -9.617 7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.276 -12.233 7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.077 -11.608 8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.494 -12.198 6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.433 -13.309 7.509 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.779 -8.389 8.079 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.771 -7.481 8.593 1.00 0.00 C ATOM 1300 C ARG A 96 -4.954 -8.037 9.752 1.00 0.00 C ATOM 1301 O ARG A 96 -5.472 -8.386 10.813 1.00 0.00 O ATOM 1302 CB ARG A 96 -6.582 -6.293 9.079 1.00 0.00 C ATOM 1303 CG ARG A 96 -5.836 -4.989 8.925 1.00 0.00 C ATOM 1304 CD ARG A 96 -6.795 -3.923 9.443 1.00 0.00 C ATOM 1305 NE ARG A 96 -6.231 -2.593 9.220 1.00 0.00 N ATOM 1306 CZ ARG A 96 -6.631 -1.474 9.817 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -7.314 -1.529 10.954 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -6.141 -0.302 9.468 1.00 0.00 N ATOM 0 H ARG A 96 -7.699 -7.953 8.019 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.035 -7.259 7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.517 -6.242 8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.843 -6.438 10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -4.907 -4.996 9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.569 -4.808 7.884 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.756 -4.009 8.936 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.981 -4.075 10.506 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.466 -2.517 8.550 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.534 -2.432 11.374 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.619 -0.668 11.408 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.442 -0.241 8.728 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.461 0.545 9.938 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.698 -8.267 9.422 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.731 -8.818 10.390 1.00 0.00 C ATOM 1324 C LYS A 97 -1.913 -7.692 11.043 1.00 0.00 C ATOM 1325 O LYS A 97 -1.343 -7.884 12.116 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.761 -9.786 9.759 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.161 -10.295 8.385 1.00 0.00 C ATOM 1328 CD LYS A 97 -0.868 -10.951 7.976 1.00 0.00 C ATOM 1329 CE LYS A 97 -0.351 -10.497 6.623 1.00 0.00 C ATOM 1330 NZ LYS A 97 0.047 -11.786 6.055 1.00 0.00 N ATOM 0 H LYS A 97 -3.310 -8.086 8.496 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.325 -9.349 11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.788 -9.302 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.639 -10.640 10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.993 -10.998 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.455 -9.491 7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.111 -10.743 8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.010 -12.032 7.956 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.118 -10.000 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.486 -9.803 6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.722 -11.630 5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.494 -12.367 6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.793 -12.278 5.689 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.778 -6.582 10.300 1.00 0.00 N ATOM 1345 CA GLU A 98 -1.058 -5.371 10.730 1.00 0.00 C ATOM 1346 C GLU A 98 -1.332 -4.173 9.807 1.00 0.00 C ATOM 1347 O GLU A 98 -1.719 -4.352 8.648 1.00 0.00 O ATOM 1348 CB GLU A 98 0.455 -5.630 10.738 1.00 0.00 C ATOM 1349 CG GLU A 98 1.191 -4.842 11.829 1.00 0.00 C ATOM 1350 CD GLU A 98 0.720 -5.210 13.245 1.00 0.00 C ATOM 1351 OE1 GLU A 98 -0.327 -4.671 13.665 1.00 0.00 O ATOM 1352 OE2 GLU A 98 1.485 -5.921 13.929 1.00 0.00 O ATOM 0 H GLU A 98 -2.174 -6.499 9.364 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.417 -5.133 11.731 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.635 -6.695 10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.869 -5.366 9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.262 -5.028 11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.040 -3.775 11.666 1.00 0.00 H new ATOM 1360 N SER A 99 -1.213 -2.979 10.389 1.00 0.00 N ATOM 1361 CA SER A 99 -1.277 -1.719 9.631 1.00 0.00 C ATOM 1362 C SER A 99 -0.252 -0.728 10.178 1.00 0.00 C ATOM 1363 O SER A 99 -0.209 -0.419 11.372 1.00 0.00 O ATOM 1364 CB SER A 99 -2.627 -0.997 9.713 1.00 0.00 C ATOM 1365 OG SER A 99 -3.621 -1.838 10.277 1.00 0.00 O ATOM 0 H SER A 99 -1.070 -2.853 11.391 1.00 0.00 H new ATOM 0 HA SER A 99 -1.092 -2.013 8.598 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.525 -0.095 10.316 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.936 -0.681 8.716 1.00 0.00 H new ATOM 0 HG SER A 99 -4.083 -1.361 10.997 1.00 0.00 H new ATOM 1371 N ILE A 100 0.535 -0.226 9.247 1.00 0.00 N ATOM 1372 CA ILE A 100 1.566 0.791 9.490 1.00 0.00 C ATOM 1373 C ILE A 100 1.048 2.177 9.130 1.00 0.00 C ATOM 1374 O ILE A 100 0.836 2.526 7.972 1.00 0.00 O ATOM 1375 CB ILE A 100 2.859 0.399 8.750 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.386 -0.966 9.219 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.960 1.471 8.835 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.518 -1.139 10.742 1.00 0.00 C ATOM 0 H ILE A 100 0.482 -0.515 8.270 1.00 0.00 H new ATOM 0 HA ILE A 100 1.810 0.835 10.551 1.00 0.00 H new ATOM 0 HB ILE A 100 2.585 0.321 7.698 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.721 -1.742 8.839 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.363 -1.133 8.766 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.842 1.130 8.293 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.599 2.400 8.393 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.220 1.643 9.879 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.898 -2.136 10.963 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.209 -0.393 11.134 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.541 -1.011 11.209 1.00 0.00 H new ATOM 1390 N ILE A 101 0.652 2.838 10.210 1.00 0.00 N ATOM 1391 CA ILE A 101 0.149 4.215 10.236 1.00 0.00 C ATOM 1392 C ILE A 101 1.339 5.191 10.260 1.00 0.00 C ATOM 1393 O ILE A 101 2.289 5.001 11.021 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.727 4.317 11.493 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.934 3.361 11.432 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -1.238 5.737 11.753 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -1.904 2.367 12.596 1.00 0.00 C ATOM 0 H ILE A 101 0.672 2.413 11.137 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.440 4.472 9.355 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.073 4.029 12.316 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.860 3.936 11.463 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.927 2.820 10.486 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.851 5.744 12.655 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.391 6.410 11.885 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.837 6.069 10.905 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.766 1.704 12.530 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.988 1.778 12.548 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.936 2.911 13.540 1.00 0.00 H new ATOM 1409 N GLY A 102 1.360 6.075 9.266 1.00 0.00 N ATOM 1410 CA GLY A 102 2.321 7.199 9.142 1.00 0.00 C ATOM 1411 C GLY A 102 3.702 6.829 8.582 1.00 0.00 C ATOM 1412 O GLY A 102 4.191 7.447 7.635 1.00 0.00 O ATOM 0 H GLY A 102 0.694 6.039 8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.880 7.962 8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.456 7.649 10.126 1.00 0.00 H new ATOM 1416 N ALA A 103 4.345 5.854 9.228 1.00 0.00 N ATOM 1417 CA ALA A 103 5.730 5.432 8.955 1.00 0.00 C ATOM 1418 C ALA A 103 5.987 4.942 7.524 1.00 0.00 C ATOM 1419 O ALA A 103 5.485 3.909 7.090 1.00 0.00 O ATOM 1420 CB ALA A 103 6.154 4.382 9.985 1.00 0.00 C ATOM 0 H ALA A 103 3.908 5.318 9.978 1.00 0.00 H new ATOM 0 HA ALA A 103 6.346 6.326 9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.179 4.069 9.784 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.095 4.809 10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.491 3.519 9.919 1.00 0.00 H new ATOM 1426 N VAL A 104 6.548 5.868 6.758 1.00 0.00 N ATOM 1427 CA VAL A 104 7.028 5.644 5.375 1.00 0.00 C ATOM 1428 C VAL A 104 8.425 4.987 5.183 1.00 0.00 C ATOM 1429 O VAL A 104 8.616 4.377 4.128 1.00 0.00 O ATOM 1430 CB VAL A 104 6.815 6.929 4.541 1.00 0.00 C ATOM 1431 CG1 VAL A 104 7.807 8.042 4.850 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.790 6.628 3.036 1.00 0.00 C ATOM 0 H VAL A 104 6.692 6.826 7.078 1.00 0.00 H new ATOM 0 HA VAL A 104 6.402 4.841 4.986 1.00 0.00 H new ATOM 0 HB VAL A 104 5.837 7.304 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.590 8.907 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.723 8.323 5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.820 7.693 4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.638 7.554 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.738 6.179 2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.976 5.937 2.817 1.00 0.00 H new ATOM 1442 N PRO A 105 9.419 5.060 6.096 1.00 0.00 N ATOM 1443 CA PRO A 105 10.737 4.425 5.903 1.00 0.00 C ATOM 1444 C PRO A 105 10.659 2.912 5.675 1.00 0.00 C ATOM 1445 O PRO A 105 10.289 2.133 6.557 1.00 0.00 O ATOM 1446 CB PRO A 105 11.605 4.775 7.113 1.00 0.00 C ATOM 1447 CG PRO A 105 10.590 5.209 8.165 1.00 0.00 C ATOM 1448 CD PRO A 105 9.495 5.879 7.326 1.00 0.00 C ATOM 0 HA PRO A 105 11.183 4.814 4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.190 3.919 7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.311 5.573 6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 105 10.204 4.360 8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 105 11.026 5.900 8.887 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.542 5.891 7.854 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.747 6.915 7.098 1.00 0.00 H new ATOM 1456 N LYS A 106 11.235 2.591 4.527 1.00 0.00 N ATOM 1457 CA LYS A 106 11.383 1.257 3.920 1.00 0.00 C ATOM 1458 C LYS A 106 11.458 0.104 4.936 1.00 0.00 C ATOM 1459 O LYS A 106 10.484 -0.625 5.103 1.00 0.00 O ATOM 1460 CB LYS A 106 12.645 1.339 3.047 1.00 0.00 C ATOM 1461 CG LYS A 106 13.018 0.055 2.297 1.00 0.00 C ATOM 1462 CD LYS A 106 12.086 -0.253 1.123 1.00 0.00 C ATOM 1463 CE LYS A 106 12.253 0.727 -0.040 1.00 0.00 C ATOM 1464 NZ LYS A 106 11.402 0.254 -1.142 1.00 0.00 N ATOM 0 H LYS A 106 11.650 3.312 3.937 1.00 0.00 H new ATOM 0 HA LYS A 106 10.494 1.015 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.509 2.138 2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.485 1.625 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 106 14.040 0.142 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 106 13.002 -0.783 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.278 -1.266 0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.053 -0.227 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 106 11.964 1.734 0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.296 0.775 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.466 0.918 -1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.722 -0.687 -1.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.415 0.196 -0.818 1.00 0.00 H new ATOM 1478 N SER A 107 12.437 0.218 5.822 1.00 0.00 N ATOM 1479 CA SER A 107 12.744 -0.789 6.860 1.00 0.00 C ATOM 1480 C SER A 107 11.572 -1.213 7.748 1.00 0.00 C ATOM 1481 O SER A 107 11.308 -2.411 7.897 1.00 0.00 O ATOM 1482 CB SER A 107 13.883 -0.242 7.735 1.00 0.00 C ATOM 1483 OG SER A 107 13.551 1.087 8.171 1.00 0.00 O ATOM 0 H SER A 107 13.060 1.025 5.850 1.00 0.00 H new ATOM 0 HA SER A 107 13.022 -1.697 6.325 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.039 -0.891 8.596 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.816 -0.230 7.172 1.00 0.00 H new ATOM 0 HG SER A 107 14.275 1.438 8.731 1.00 0.00 H new ATOM 1489 N THR A 108 10.834 -0.238 8.267 1.00 0.00 N ATOM 1490 CA THR A 108 9.630 -0.447 9.110 1.00 0.00 C ATOM 1491 C THR A 108 8.484 -1.183 8.429 1.00 0.00 C ATOM 1492 O THR A 108 7.812 -2.041 9.002 1.00 0.00 O ATOM 1493 CB THR A 108 9.203 0.972 9.553 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.343 1.662 10.076 1.00 0.00 O ATOM 1495 CG2 THR A 108 8.069 0.966 10.581 1.00 0.00 C ATOM 0 H THR A 108 11.049 0.748 8.118 1.00 0.00 H new ATOM 0 HA THR A 108 9.879 -1.104 9.943 1.00 0.00 H new ATOM 0 HB THR A 108 8.815 1.487 8.674 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.079 2.563 10.357 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.817 1.992 10.850 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.193 0.477 10.154 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.388 0.425 11.472 1.00 0.00 H new ATOM 1503 N LEU A 109 8.273 -0.762 7.188 1.00 0.00 N ATOM 1504 CA LEU A 109 7.321 -1.336 6.228 1.00 0.00 C ATOM 1505 C LEU A 109 7.684 -2.806 5.997 1.00 0.00 C ATOM 1506 O LEU A 109 6.967 -3.658 6.516 1.00 0.00 O ATOM 1507 CB LEU A 109 7.348 -0.529 4.920 1.00 0.00 C ATOM 1508 CG LEU A 109 6.636 0.822 5.090 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.336 1.830 5.988 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.454 1.493 3.722 1.00 0.00 C ATOM 0 H LEU A 109 8.785 0.030 6.798 1.00 0.00 H new ATOM 0 HA LEU A 109 6.305 -1.287 6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.380 -0.363 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.866 -1.100 4.126 1.00 0.00 H new ATOM 0 HG LEU A 109 5.693 0.563 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.746 2.746 6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.441 1.413 6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.323 2.055 5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.949 2.450 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.430 1.656 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.854 0.850 3.078 1.00 0.00 H new ATOM 1522 N THR A 110 8.970 -3.020 5.684 1.00 0.00 N ATOM 1523 CA THR A 110 9.537 -4.352 5.401 1.00 0.00 C ATOM 1524 C THR A 110 9.313 -5.326 6.574 1.00 0.00 C ATOM 1525 O THR A 110 8.811 -6.445 6.442 1.00 0.00 O ATOM 1526 CB THR A 110 11.040 -4.341 5.107 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.394 -3.222 4.294 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.363 -5.640 4.386 1.00 0.00 C ATOM 0 H THR A 110 9.655 -2.267 5.619 1.00 0.00 H new ATOM 0 HA THR A 110 9.006 -4.679 4.507 1.00 0.00 H new ATOM 0 HB THR A 110 11.607 -4.256 6.034 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.825 -3.538 3.472 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.428 -5.674 4.157 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.102 -6.485 5.024 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.791 -5.694 3.460 1.00 0.00 H new ATOM 1536 N ASP A 111 9.767 -4.828 7.708 1.00 0.00 N ATOM 1537 CA ASP A 111 9.679 -5.477 9.036 1.00 0.00 C ATOM 1538 C ASP A 111 8.282 -6.039 9.306 1.00 0.00 C ATOM 1539 O ASP A 111 8.119 -7.254 9.455 1.00 0.00 O ATOM 1540 CB ASP A 111 10.028 -4.357 10.031 1.00 0.00 C ATOM 1541 CG ASP A 111 10.336 -4.869 11.450 1.00 0.00 C ATOM 1542 OD1 ASP A 111 10.153 -4.057 12.379 1.00 0.00 O ATOM 1543 OD2 ASP A 111 10.800 -6.034 11.569 1.00 0.00 O ATOM 0 H ASP A 111 10.231 -3.920 7.749 1.00 0.00 H new ATOM 0 HA ASP A 111 10.350 -6.332 9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.891 -3.806 9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.197 -3.653 10.080 1.00 0.00 H new ATOM 1549 N SER A 112 7.290 -5.200 9.016 1.00 0.00 N ATOM 1550 CA SER A 112 5.862 -5.502 9.205 1.00 0.00 C ATOM 1551 C SER A 112 5.225 -6.530 8.259 1.00 0.00 C ATOM 1552 O SER A 112 4.030 -6.787 8.358 1.00 0.00 O ATOM 1553 CB SER A 112 5.039 -4.220 9.210 1.00 0.00 C ATOM 1554 OG SER A 112 5.527 -3.386 10.270 1.00 0.00 O ATOM 0 H SER A 112 7.454 -4.269 8.634 1.00 0.00 H new ATOM 0 HA SER A 112 5.842 -5.996 10.176 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.125 -3.708 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.983 -4.445 9.358 1.00 0.00 H new ATOM 0 HG SER A 112 6.296 -2.869 9.952 1.00 0.00 H new ATOM 1560 N ILE A 113 5.969 -6.993 7.261 1.00 0.00 N ATOM 1561 CA ILE A 113 5.518 -8.161 6.477 1.00 0.00 C ATOM 1562 C ILE A 113 6.319 -9.399 6.865 1.00 0.00 C ATOM 1563 O ILE A 113 5.767 -10.473 7.040 1.00 0.00 O ATOM 1564 CB ILE A 113 5.615 -8.151 4.952 1.00 0.00 C ATOM 1565 CG1 ILE A 113 6.656 -7.224 4.371 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.240 -8.139 4.316 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.303 -5.748 4.480 1.00 0.00 C ATOM 0 H ILE A 113 6.864 -6.598 6.973 1.00 0.00 H new ATOM 0 HA ILE A 113 4.458 -8.144 6.729 1.00 0.00 H new ATOM 0 HB ILE A 113 6.051 -9.104 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.605 -7.398 4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.805 -7.475 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.341 -8.132 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.689 -9.028 4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.699 -7.248 4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.101 -5.150 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.371 -5.557 3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.184 -5.479 5.530 1.00 0.00 H new ATOM 1579 N GLU A 114 7.638 -9.209 6.882 1.00 0.00 N ATOM 1580 CA GLU A 114 8.611 -10.290 7.073 1.00 0.00 C ATOM 1581 C GLU A 114 8.660 -10.915 8.483 1.00 0.00 C ATOM 1582 O GLU A 114 9.589 -11.626 8.876 1.00 0.00 O ATOM 1583 CB GLU A 114 9.977 -9.862 6.559 1.00 0.00 C ATOM 1584 CG GLU A 114 9.839 -9.743 5.040 1.00 0.00 C ATOM 1585 CD GLU A 114 11.232 -9.750 4.405 1.00 0.00 C ATOM 1586 OE1 GLU A 114 11.840 -8.669 4.372 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.686 -10.851 4.031 1.00 0.00 O ATOM 0 H GLU A 114 8.068 -8.292 6.763 1.00 0.00 H new ATOM 0 HA GLU A 114 8.249 -11.122 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.279 -8.911 6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.740 -10.593 6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.245 -10.570 4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.313 -8.824 4.782 1.00 0.00 H new ATOM 1595 N LYS A 115 7.789 -10.348 9.298 1.00 0.00 N ATOM 1596 CA LYS A 115 7.301 -10.860 10.589 1.00 0.00 C ATOM 1597 C LYS A 115 6.396 -12.099 10.382 1.00 0.00 C ATOM 1598 O LYS A 115 6.395 -13.047 11.170 1.00 0.00 O ATOM 1599 CB LYS A 115 6.467 -9.656 10.984 1.00 0.00 C ATOM 1600 CG LYS A 115 5.820 -9.742 12.368 1.00 0.00 C ATOM 1601 CD LYS A 115 4.796 -8.607 12.424 1.00 0.00 C ATOM 1602 CE LYS A 115 5.426 -7.207 12.450 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.759 -6.891 13.834 1.00 0.00 N ATOM 0 H LYS A 115 7.366 -9.449 9.067 1.00 0.00 H new ATOM 0 HA LYS A 115 8.062 -11.183 11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.099 -8.768 10.950 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.682 -9.517 10.241 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.339 -10.709 12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.566 -9.634 13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.136 -8.682 11.560 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.176 -8.733 13.311 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.320 -7.179 11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.733 -6.469 12.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.189 -5.945 13.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.894 -6.907 14.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.432 -7.595 14.199 1.00 0.00 H new ATOM 1617 N TYR A 116 5.614 -12.040 9.308 1.00 0.00 N ATOM 1618 CA TYR A 116 4.581 -13.015 8.880 1.00 0.00 C ATOM 1619 C TYR A 116 5.169 -14.023 7.882 1.00 0.00 C ATOM 1620 O TYR A 116 5.382 -15.191 8.228 1.00 0.00 O ATOM 1621 CB TYR A 116 3.413 -12.269 8.220 1.00 0.00 C ATOM 1622 CG TYR A 116 2.824 -11.199 9.124 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.183 -11.622 10.305 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.963 -9.834 8.789 1.00 0.00 C ATOM 1625 CE1 TYR A 116 1.700 -10.661 11.208 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.466 -8.876 9.689 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.865 -9.303 10.893 1.00 0.00 C ATOM 1628 OH TYR A 116 1.446 -8.365 11.771 1.00 0.00 O ATOM 0 H TYR A 116 5.680 -11.257 8.657 1.00 0.00 H new ATOM 0 HA TYR A 116 4.228 -13.555 9.758 1.00 0.00 H new ATOM 0 HB2 TYR A 116 3.756 -11.809 7.293 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.634 -12.983 7.952 1.00 0.00 H new ATOM 0 HD1 TYR A 116 2.064 -12.675 10.514 1.00 0.00 H new ATOM 0 HD2 TYR A 116 3.438 -9.535 7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 116 1.213 -10.960 12.124 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.543 -7.823 9.462 1.00 0.00 H new ATOM 0 HH TYR A 116 0.470 -8.403 11.849 1.00 0.00 H new ATOM 1638 N LEU A 117 5.451 -13.559 6.666 1.00 0.00 N ATOM 1639 CA LEU A 117 6.160 -14.358 5.639 1.00 0.00 C ATOM 1640 C LEU A 117 7.670 -14.232 5.905 1.00 0.00 C ATOM 1641 O LEU A 117 8.440 -13.529 5.255 1.00 0.00 O ATOM 1642 CB LEU A 117 5.720 -14.102 4.188 1.00 0.00 C ATOM 1643 CG LEU A 117 5.229 -12.704 3.777 1.00 0.00 C ATOM 1644 CD1 LEU A 117 3.789 -12.442 4.260 1.00 0.00 C ATOM 1645 CD2 LEU A 117 6.197 -11.578 4.112 1.00 0.00 C ATOM 0 H LEU A 117 5.199 -12.621 6.354 1.00 0.00 H new ATOM 0 HA LEU A 117 5.872 -15.404 5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.562 -14.354 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.921 -14.808 3.960 1.00 0.00 H new ATOM 0 HG LEU A 117 5.201 -12.705 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.477 -11.444 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.119 -13.183 3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.751 -12.513 5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.774 -10.627 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.367 -11.553 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.144 -11.747 3.599 1.00 0.00 H new