USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=26 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= 0.00338 USER MOD Set 1.2: A 108 THR OG1 : rot 180:sc= 0.0693 USER MOD Set 2.1: A 79 GLN : amide:sc= 0.879 K(o=2.4,f=-1) USER MOD Set 2.2: A 80 TYR OH : rot 85:sc= 1.5 USER MOD Set 3.1: A 34 MET CE :methyl -114:sc= -5.84! (180deg=-6.22!) USER MOD Set 3.2: A 59 TYR OH : rot 163:sc= -5.82! USER MOD Single : A 15 GLN : amide:sc= 0.211 K(o=0.21,f=-7.3!) USER MOD Single : A 18 ASN : amide:sc= -1.37 K(o=-1.4,f=-4.8!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0548 USER MOD Single : A 21 SER OG : rot 64:sc= 1.29 USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.124) USER MOD Single : A 29 SER OG : rot 64:sc= 1.19 USER MOD Single : A 57 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.261) USER MOD Single : A 60 SER OG : rot 62:sc= 1.2 USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0.208 (180deg=0.146) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 155:sc= -0.0786 (180deg=-0.81) USER MOD Single : A 69 ASN : amide:sc= -0.52 K(o=-0.52,f=-3.1!) USER MOD Single : A 70 THR OG1 : rot -160:sc=-0.00899 USER MOD Single : A 78 THR OG1 : rot 74:sc= 0.248 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -65:sc= 0.227 USER MOD Single : A 92 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.221) USER MOD Single : A 93 ASN : amide:sc= 0.0506 X(o=0.051,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 138:sc= -0.436 (180deg=-2.21) USER MOD Single : A 99 SER OG : rot -150:sc=-0.00505 USER MOD Single : A 106 LYS NZ :NH3+ -119:sc= -1.28 (180deg=-1.36) USER MOD Single : A 110 THR OG1 : rot -114:sc= 1.12 USER MOD Single : A 112 SER OG : rot 107:sc= 1.29 USER MOD Single : A 115 LYS NZ :NH3+ -128:sc= -0.0863 (180deg=-0.511) USER MOD Single : A 116 TYR OH : rot -157:sc= -0.022! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -4.672 -3.401 -10.623 1.00 0.00 N ATOM 2 CA VAL A 14 -4.781 -2.363 -9.584 1.00 0.00 C ATOM 3 C VAL A 14 -5.623 -1.159 -10.026 1.00 0.00 C ATOM 4 O VAL A 14 -6.766 -1.012 -9.611 1.00 0.00 O ATOM 5 CB VAL A 14 -3.389 -1.966 -9.010 1.00 0.00 C ATOM 6 CG1 VAL A 14 -3.555 -0.872 -7.949 1.00 0.00 C ATOM 7 CG2 VAL A 14 -2.644 -3.167 -8.459 1.00 0.00 C ATOM 0 HA VAL A 14 -5.336 -2.806 -8.757 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.783 -1.571 -9.825 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.577 -0.599 -7.552 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.021 0.004 -8.400 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.185 -1.242 -7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.678 -2.848 -8.068 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.227 -3.621 -7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.491 -3.896 -9.254 1.00 0.00 H new ATOM 17 N GLN A 15 -4.941 -0.243 -10.707 1.00 0.00 N ATOM 18 CA GLN A 15 -5.362 1.107 -11.100 1.00 0.00 C ATOM 19 C GLN A 15 -6.491 1.722 -10.267 1.00 0.00 C ATOM 20 O GLN A 15 -7.681 1.636 -10.590 1.00 0.00 O ATOM 21 CB GLN A 15 -5.580 1.204 -12.607 1.00 0.00 C ATOM 22 CG GLN A 15 -4.218 1.255 -13.316 1.00 0.00 C ATOM 23 CD GLN A 15 -3.570 -0.096 -13.599 1.00 0.00 C ATOM 24 OE1 GLN A 15 -3.388 -0.986 -12.768 1.00 0.00 O ATOM 25 NE2 GLN A 15 -3.065 -0.225 -14.797 1.00 0.00 N ATOM 0 H GLN A 15 -3.993 -0.440 -11.029 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.520 1.753 -10.850 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.154 0.347 -12.959 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.160 2.095 -12.845 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.340 1.784 -14.261 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.534 1.845 -12.707 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.210 0.506 -15.493 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.526 -1.057 -15.036 1.00 0.00 H new ATOM 34 N ASP A 16 -6.002 2.281 -9.165 1.00 0.00 N ATOM 35 CA ASP A 16 -6.766 2.951 -8.080 1.00 0.00 C ATOM 36 C ASP A 16 -7.402 2.014 -7.040 1.00 0.00 C ATOM 37 O ASP A 16 -7.736 2.481 -5.954 1.00 0.00 O ATOM 38 CB ASP A 16 -7.872 3.866 -8.622 1.00 0.00 C ATOM 39 CG ASP A 16 -7.396 5.092 -9.403 1.00 0.00 C ATOM 40 OD1 ASP A 16 -8.141 6.104 -9.334 1.00 0.00 O ATOM 41 OD2 ASP A 16 -6.295 5.051 -10.003 1.00 0.00 O ATOM 0 H ASP A 16 -4.999 2.287 -8.979 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.993 3.529 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.522 3.276 -9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.480 4.206 -7.784 1.00 0.00 H new ATOM 47 N VAL A 17 -7.276 0.707 -7.281 1.00 0.00 N ATOM 48 CA VAL A 17 -7.961 -0.431 -6.632 1.00 0.00 C ATOM 49 C VAL A 17 -9.498 -0.286 -6.565 1.00 0.00 C ATOM 50 O VAL A 17 -10.228 -1.148 -7.068 1.00 0.00 O ATOM 51 CB VAL A 17 -7.336 -0.781 -5.276 1.00 0.00 C ATOM 52 CG1 VAL A 17 -7.925 -2.089 -4.707 1.00 0.00 C ATOM 53 CG2 VAL A 17 -5.828 -1.009 -5.347 1.00 0.00 C ATOM 0 H VAL A 17 -6.633 0.380 -8.002 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.795 -1.285 -7.289 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.558 0.080 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.461 -2.309 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.001 -1.976 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.730 -2.908 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.450 -1.253 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.616 -1.833 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.340 -0.104 -5.709 1.00 0.00 H new ATOM 63 N ASN A 18 -9.917 0.835 -5.988 1.00 0.00 N ATOM 64 CA ASN A 18 -11.312 1.301 -5.820 1.00 0.00 C ATOM 65 C ASN A 18 -12.126 0.416 -4.862 1.00 0.00 C ATOM 66 O ASN A 18 -11.990 -0.806 -4.820 1.00 0.00 O ATOM 67 CB ASN A 18 -12.083 1.375 -7.142 1.00 0.00 C ATOM 68 CG ASN A 18 -11.299 1.972 -8.325 1.00 0.00 C ATOM 69 OD1 ASN A 18 -11.045 3.152 -8.439 1.00 0.00 O ATOM 70 ND2 ASN A 18 -10.891 1.152 -9.261 1.00 0.00 N ATOM 0 H ASN A 18 -9.251 1.499 -5.593 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.205 2.301 -5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.407 0.370 -7.412 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.983 1.969 -6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -10.372 1.511 -10.063 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.092 0.155 -9.188 1.00 0.00 H new ATOM 77 N ASP A 19 -13.065 1.063 -4.176 1.00 0.00 N ATOM 78 CA ASP A 19 -14.022 0.423 -3.245 1.00 0.00 C ATOM 79 C ASP A 19 -14.785 -0.768 -3.854 1.00 0.00 C ATOM 80 O ASP A 19 -14.822 -1.852 -3.273 1.00 0.00 O ATOM 81 CB ASP A 19 -15.044 1.490 -2.830 1.00 0.00 C ATOM 82 CG ASP A 19 -15.224 1.563 -1.322 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.898 0.666 -0.770 1.00 0.00 O ATOM 84 OD2 ASP A 19 -14.703 2.546 -0.744 1.00 0.00 O ATOM 0 H ASP A 19 -13.194 2.072 -4.246 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.449 0.029 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -14.722 2.462 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.004 1.272 -3.298 1.00 0.00 H new ATOM 90 N SER A 20 -15.211 -0.567 -5.096 1.00 0.00 N ATOM 91 CA SER A 20 -15.974 -1.540 -5.894 1.00 0.00 C ATOM 92 C SER A 20 -15.236 -2.872 -6.081 1.00 0.00 C ATOM 93 O SER A 20 -15.698 -3.910 -5.597 1.00 0.00 O ATOM 94 CB SER A 20 -16.304 -0.893 -7.250 1.00 0.00 C ATOM 95 OG SER A 20 -15.161 -0.183 -7.745 1.00 0.00 O ATOM 0 H SER A 20 -15.033 0.303 -5.598 1.00 0.00 H new ATOM 0 HA SER A 20 -16.889 -1.789 -5.356 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.604 -1.659 -7.965 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.147 -0.211 -7.141 1.00 0.00 H new ATOM 0 HG SER A 20 -15.378 0.225 -8.609 1.00 0.00 H new ATOM 101 N SER A 21 -14.053 -2.823 -6.682 1.00 0.00 N ATOM 102 CA SER A 21 -13.206 -4.018 -6.901 1.00 0.00 C ATOM 103 C SER A 21 -12.284 -4.437 -5.761 1.00 0.00 C ATOM 104 O SER A 21 -11.777 -5.563 -5.798 1.00 0.00 O ATOM 105 CB SER A 21 -12.385 -3.922 -8.193 1.00 0.00 C ATOM 106 OG SER A 21 -12.039 -2.563 -8.498 1.00 0.00 O ATOM 0 H SER A 21 -13.642 -1.959 -7.036 1.00 0.00 H new ATOM 0 HA SER A 21 -13.957 -4.805 -6.971 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.476 -4.516 -8.093 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.954 -4.348 -9.019 1.00 0.00 H new ATOM 0 HG SER A 21 -11.456 -2.208 -7.795 1.00 0.00 H new ATOM 112 N TRP A 22 -12.181 -3.631 -4.705 1.00 0.00 N ATOM 113 CA TRP A 22 -11.326 -3.903 -3.524 1.00 0.00 C ATOM 114 C TRP A 22 -11.429 -5.341 -3.009 1.00 0.00 C ATOM 115 O TRP A 22 -10.446 -6.071 -2.997 1.00 0.00 O ATOM 116 CB TRP A 22 -11.704 -2.897 -2.438 1.00 0.00 C ATOM 117 CG TRP A 22 -10.954 -3.105 -1.117 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.355 -3.919 -0.151 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.723 -2.592 -0.742 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.435 -3.989 0.808 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.417 -3.196 0.489 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.796 -1.727 -1.366 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.192 -2.916 1.135 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.551 -1.500 -0.768 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.264 -2.076 0.494 1.00 0.00 C ATOM 0 H TRP A 22 -12.694 -2.752 -4.634 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.283 -3.789 -3.818 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.505 -1.889 -2.804 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.776 -2.963 -2.251 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.295 -4.450 -0.143 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.500 -4.559 1.651 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.047 -1.244 -2.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.972 -3.340 2.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.813 -0.889 -1.266 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.318 -1.867 0.971 1.00 0.00 H new ATOM 136 N LYS A 23 -12.658 -5.796 -2.788 1.00 0.00 N ATOM 137 CA LYS A 23 -12.868 -7.165 -2.287 1.00 0.00 C ATOM 138 C LYS A 23 -12.332 -8.287 -3.157 1.00 0.00 C ATOM 139 O LYS A 23 -11.564 -9.117 -2.693 1.00 0.00 O ATOM 140 CB LYS A 23 -14.336 -7.373 -1.983 1.00 0.00 C ATOM 141 CG LYS A 23 -14.470 -6.664 -0.639 1.00 0.00 C ATOM 142 CD LYS A 23 -15.924 -6.504 -0.288 1.00 0.00 C ATOM 143 CE LYS A 23 -16.483 -5.237 -0.888 1.00 0.00 C ATOM 144 NZ LYS A 23 -17.739 -5.311 -0.173 1.00 0.00 N ATOM 0 H LYS A 23 -13.511 -5.258 -2.941 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.265 -7.232 -1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.979 -6.933 -2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.596 -8.430 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.960 -7.236 0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.988 -5.687 -0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.487 -7.363 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.041 -6.481 0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -15.898 -4.347 -0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.592 -5.275 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.420 -4.649 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.115 -6.279 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -17.586 -5.058 0.824 1.00 0.00 H new ATOM 158 N GLU A 24 -12.390 -8.035 -4.455 1.00 0.00 N ATOM 159 CA GLU A 24 -11.916 -8.997 -5.461 1.00 0.00 C ATOM 160 C GLU A 24 -10.401 -8.930 -5.681 1.00 0.00 C ATOM 161 O GLU A 24 -9.726 -9.956 -5.670 1.00 0.00 O ATOM 162 CB GLU A 24 -12.691 -8.767 -6.759 1.00 0.00 C ATOM 163 CG GLU A 24 -14.170 -8.936 -6.423 1.00 0.00 C ATOM 164 CD GLU A 24 -15.037 -8.847 -7.672 1.00 0.00 C ATOM 165 OE1 GLU A 24 -15.509 -9.922 -8.095 1.00 0.00 O ATOM 166 OE2 GLU A 24 -15.197 -7.713 -8.168 1.00 0.00 O ATOM 0 H GLU A 24 -12.761 -7.170 -4.847 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.106 -10.006 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.496 -7.770 -7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.384 -9.480 -7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.327 -9.899 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.473 -8.167 -5.712 1.00 0.00 H new ATOM 174 N PHE A 25 -9.892 -7.712 -5.679 1.00 0.00 N ATOM 175 CA PHE A 25 -8.457 -7.419 -5.856 1.00 0.00 C ATOM 176 C PHE A 25 -7.565 -7.712 -4.655 1.00 0.00 C ATOM 177 O PHE A 25 -6.560 -8.415 -4.757 1.00 0.00 O ATOM 178 CB PHE A 25 -8.288 -5.943 -6.222 1.00 0.00 C ATOM 179 CG PHE A 25 -8.666 -5.549 -7.653 1.00 0.00 C ATOM 180 CD1 PHE A 25 -8.978 -6.502 -8.658 1.00 0.00 C ATOM 181 CD2 PHE A 25 -8.527 -4.181 -7.969 1.00 0.00 C ATOM 182 CE1 PHE A 25 -9.140 -6.074 -9.995 1.00 0.00 C ATOM 183 CE2 PHE A 25 -8.675 -3.755 -9.303 1.00 0.00 C ATOM 184 CZ PHE A 25 -8.982 -4.703 -10.301 1.00 0.00 C ATOM 0 H PHE A 25 -10.462 -6.876 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.130 -8.096 -6.645 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.890 -5.349 -5.534 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.247 -5.667 -6.055 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.091 -7.545 -8.403 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.308 -3.464 -7.192 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.381 -6.784 -10.772 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.555 -2.713 -9.559 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.099 -4.374 -11.323 1.00 0.00 H new ATOM 194 N VAL A 26 -8.103 -7.341 -3.518 1.00 0.00 N ATOM 195 CA VAL A 26 -7.383 -7.349 -2.227 1.00 0.00 C ATOM 196 C VAL A 26 -7.838 -8.560 -1.400 1.00 0.00 C ATOM 197 O VAL A 26 -7.048 -9.491 -1.212 1.00 0.00 O ATOM 198 CB VAL A 26 -7.546 -5.992 -1.504 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.976 -5.987 -0.092 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.891 -4.880 -2.325 1.00 0.00 C ATOM 0 H VAL A 26 -9.067 -7.017 -3.442 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.311 -7.463 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.618 -5.818 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.124 -5.005 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.485 -6.741 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.910 -6.212 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.011 -3.928 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.830 -5.095 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.365 -4.823 -3.305 1.00 0.00 H new ATOM 210 N LEU A 27 -9.127 -8.688 -1.146 1.00 0.00 N ATOM 211 CA LEU A 27 -9.575 -9.789 -0.267 1.00 0.00 C ATOM 212 C LEU A 27 -9.661 -11.152 -0.987 1.00 0.00 C ATOM 213 O LEU A 27 -9.629 -12.190 -0.333 1.00 0.00 O ATOM 214 CB LEU A 27 -10.880 -9.419 0.456 1.00 0.00 C ATOM 215 CG LEU A 27 -10.773 -8.042 1.150 1.00 0.00 C ATOM 216 CD1 LEU A 27 -12.093 -7.720 1.853 1.00 0.00 C ATOM 217 CD2 LEU A 27 -9.638 -7.951 2.171 1.00 0.00 C ATOM 0 H LEU A 27 -9.864 -8.083 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.803 -9.921 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.702 -9.404 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.116 -10.183 1.196 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.552 -7.321 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.017 -6.749 2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.899 -7.695 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.305 -8.486 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.627 -6.956 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.791 -8.695 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.686 -8.137 1.674 1.00 0.00 H new ATOM 229 N GLU A 28 -9.728 -11.125 -2.322 1.00 0.00 N ATOM 230 CA GLU A 28 -9.805 -12.369 -3.120 1.00 0.00 C ATOM 231 C GLU A 28 -8.675 -12.692 -4.108 1.00 0.00 C ATOM 232 O GLU A 28 -8.654 -13.786 -4.657 1.00 0.00 O ATOM 233 CB GLU A 28 -11.141 -12.443 -3.855 1.00 0.00 C ATOM 234 CG GLU A 28 -12.277 -12.793 -2.899 1.00 0.00 C ATOM 235 CD GLU A 28 -13.434 -11.831 -3.128 1.00 0.00 C ATOM 236 OE1 GLU A 28 -13.597 -10.930 -2.269 1.00 0.00 O ATOM 237 OE2 GLU A 28 -14.101 -11.965 -4.174 1.00 0.00 O ATOM 0 H GLU A 28 -9.731 -10.268 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.691 -13.133 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.348 -11.487 -4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.083 -13.191 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.604 -13.820 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.933 -12.729 -1.867 1.00 0.00 H new ATOM 245 N SER A 29 -7.720 -11.784 -4.289 1.00 0.00 N ATOM 246 CA SER A 29 -6.618 -12.030 -5.250 1.00 0.00 C ATOM 247 C SER A 29 -5.299 -12.234 -4.506 1.00 0.00 C ATOM 248 O SER A 29 -4.886 -11.415 -3.688 1.00 0.00 O ATOM 249 CB SER A 29 -6.463 -10.972 -6.336 1.00 0.00 C ATOM 250 OG SER A 29 -7.623 -10.958 -7.164 1.00 0.00 O ATOM 0 H SER A 29 -7.674 -10.889 -3.802 1.00 0.00 H new ATOM 0 HA SER A 29 -6.896 -12.941 -5.780 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.316 -9.991 -5.883 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.578 -11.181 -6.937 1.00 0.00 H new ATOM 0 HG SER A 29 -8.400 -10.684 -6.634 1.00 0.00 H new ATOM 256 N GLU A 30 -4.916 -13.498 -4.609 1.00 0.00 N ATOM 257 CA GLU A 30 -3.768 -14.180 -3.950 1.00 0.00 C ATOM 258 C GLU A 30 -4.084 -14.519 -2.492 1.00 0.00 C ATOM 259 O GLU A 30 -3.702 -15.583 -2.008 1.00 0.00 O ATOM 260 CB GLU A 30 -2.455 -13.397 -4.066 1.00 0.00 C ATOM 261 CG GLU A 30 -1.270 -14.338 -3.885 1.00 0.00 C ATOM 262 CD GLU A 30 -0.011 -13.553 -3.539 1.00 0.00 C ATOM 263 OE1 GLU A 30 0.088 -13.153 -2.367 1.00 0.00 O ATOM 264 OE2 GLU A 30 0.778 -13.289 -4.482 1.00 0.00 O ATOM 0 H GLU A 30 -5.434 -14.145 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.617 -15.113 -4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.397 -12.909 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.423 -12.610 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.486 -15.056 -3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.109 -14.909 -4.799 1.00 0.00 H new ATOM 272 N VAL A 31 -4.757 -13.556 -1.861 1.00 0.00 N ATOM 273 CA VAL A 31 -5.357 -13.503 -0.505 1.00 0.00 C ATOM 274 C VAL A 31 -4.448 -12.759 0.502 1.00 0.00 C ATOM 275 O VAL A 31 -4.911 -11.703 0.953 1.00 0.00 O ATOM 276 CB VAL A 31 -6.069 -14.798 -0.035 1.00 0.00 C ATOM 277 CG1 VAL A 31 -6.828 -14.580 1.263 1.00 0.00 C ATOM 278 CG2 VAL A 31 -7.100 -15.258 -1.077 1.00 0.00 C ATOM 0 H VAL A 31 -4.922 -12.673 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.235 -12.860 -0.571 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.287 -15.544 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.314 -15.509 1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.133 -14.268 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.582 -13.807 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.588 -16.168 -0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.847 -14.477 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.597 -15.456 -2.024 1.00 0.00 H new ATOM 288 N PRO A 32 -3.166 -13.127 0.715 1.00 0.00 N ATOM 289 CA PRO A 32 -2.201 -12.257 1.407 1.00 0.00 C ATOM 290 C PRO A 32 -1.935 -11.070 0.473 1.00 0.00 C ATOM 291 O PRO A 32 -1.606 -11.242 -0.709 1.00 0.00 O ATOM 292 CB PRO A 32 -0.921 -13.080 1.577 1.00 0.00 C ATOM 293 CG PRO A 32 -1.398 -14.524 1.518 1.00 0.00 C ATOM 294 CD PRO A 32 -2.550 -14.457 0.519 1.00 0.00 C ATOM 0 HA PRO A 32 -2.555 -11.902 2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.201 -12.865 0.787 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.429 -12.861 2.525 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.609 -15.197 1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.728 -14.881 2.493 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.191 -14.576 -0.503 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.272 -15.254 0.698 1.00 0.00 H new ATOM 302 N VAL A 33 -2.159 -9.872 1.003 1.00 0.00 N ATOM 303 CA VAL A 33 -2.143 -8.646 0.190 1.00 0.00 C ATOM 304 C VAL A 33 -1.421 -7.463 0.879 1.00 0.00 C ATOM 305 O VAL A 33 -1.413 -7.328 2.103 1.00 0.00 O ATOM 306 CB VAL A 33 -3.593 -8.306 -0.231 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.751 -6.938 -0.910 1.00 0.00 C ATOM 308 CG2 VAL A 33 -4.113 -9.346 -1.228 1.00 0.00 C ATOM 0 H VAL A 33 -2.355 -9.717 1.992 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.549 -8.832 -0.705 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.155 -8.297 0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.797 -6.781 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.426 -6.153 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.142 -6.908 -1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.134 -9.095 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.477 -9.351 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.099 -10.333 -0.765 1.00 0.00 H new ATOM 318 N MET A 34 -0.812 -6.671 0.014 1.00 0.00 N ATOM 319 CA MET A 34 -0.157 -5.386 0.306 1.00 0.00 C ATOM 320 C MET A 34 -0.916 -4.229 -0.365 1.00 0.00 C ATOM 321 O MET A 34 -1.195 -4.261 -1.563 1.00 0.00 O ATOM 322 CB MET A 34 1.262 -5.448 -0.256 1.00 0.00 C ATOM 323 CG MET A 34 2.012 -4.129 -0.144 1.00 0.00 C ATOM 324 SD MET A 34 3.815 -4.302 -0.364 1.00 0.00 S ATOM 325 CE MET A 34 4.217 -4.653 1.332 1.00 0.00 C ATOM 0 H MET A 34 -0.752 -6.913 -0.975 1.00 0.00 H new ATOM 0 HA MET A 34 -0.147 -5.213 1.382 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.821 -6.221 0.271 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.218 -5.745 -1.304 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.627 -3.436 -0.892 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.813 -3.688 0.833 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.812 -3.836 1.742 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.298 -4.758 1.909 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.788 -5.580 1.386 1.00 0.00 H new ATOM 335 N VAL A 35 -1.142 -3.186 0.423 1.00 0.00 N ATOM 336 CA VAL A 35 -1.776 -1.952 -0.057 1.00 0.00 C ATOM 337 C VAL A 35 -1.139 -0.669 0.475 1.00 0.00 C ATOM 338 O VAL A 35 -1.069 -0.463 1.681 1.00 0.00 O ATOM 339 CB VAL A 35 -3.278 -1.926 0.246 1.00 0.00 C ATOM 340 CG1 VAL A 35 -4.059 -2.721 -0.803 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.674 -2.400 1.643 1.00 0.00 C ATOM 0 H VAL A 35 -0.894 -3.165 1.412 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.614 -1.972 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.541 -0.869 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.123 -2.688 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.892 -2.285 -1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.719 -3.757 -0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.757 -2.342 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.350 -3.431 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.198 -1.766 2.391 1.00 0.00 H new ATOM 351 N ASP A 36 -0.822 0.220 -0.470 1.00 0.00 N ATOM 352 CA ASP A 36 -0.229 1.553 -0.204 1.00 0.00 C ATOM 353 C ASP A 36 -1.225 2.678 -0.549 1.00 0.00 C ATOM 354 O ASP A 36 -1.507 2.958 -1.714 1.00 0.00 O ATOM 355 CB ASP A 36 1.069 1.766 -1.008 1.00 0.00 C ATOM 356 CG ASP A 36 0.854 1.793 -2.524 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.416 0.752 -3.047 1.00 0.00 O ATOM 358 OD2 ASP A 36 1.083 2.864 -3.121 1.00 0.00 O ATOM 0 H ASP A 36 -0.969 0.039 -1.463 1.00 0.00 H new ATOM 0 HA ASP A 36 0.006 1.589 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.529 2.704 -0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.773 0.970 -0.763 1.00 0.00 H new ATOM 364 N PHE A 37 -1.700 3.320 0.501 1.00 0.00 N ATOM 365 CA PHE A 37 -2.702 4.409 0.386 1.00 0.00 C ATOM 366 C PHE A 37 -2.045 5.788 0.298 1.00 0.00 C ATOM 367 O PHE A 37 -1.243 6.166 1.155 1.00 0.00 O ATOM 368 CB PHE A 37 -3.641 4.445 1.590 1.00 0.00 C ATOM 369 CG PHE A 37 -4.561 3.230 1.792 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.238 1.927 1.328 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.775 3.472 2.473 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.154 0.884 1.527 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.681 2.411 2.687 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.370 1.121 2.184 1.00 0.00 C ATOM 0 H PHE A 37 -1.417 3.117 1.460 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.256 4.193 -0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.036 4.565 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.266 5.334 1.506 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.299 1.742 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.009 4.465 2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.921 -0.109 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.601 2.579 3.228 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.077 0.314 2.308 1.00 0.00 H new ATOM 384 N TRP A 38 -2.548 6.565 -0.656 1.00 0.00 N ATOM 385 CA TRP A 38 -2.075 7.943 -0.867 1.00 0.00 C ATOM 386 C TRP A 38 -3.257 8.899 -1.114 1.00 0.00 C ATOM 387 O TRP A 38 -4.296 8.510 -1.668 1.00 0.00 O ATOM 388 CB TRP A 38 -1.029 7.986 -1.990 1.00 0.00 C ATOM 389 CG TRP A 38 -1.651 7.884 -3.381 1.00 0.00 C ATOM 390 CD1 TRP A 38 -2.190 6.780 -3.871 1.00 0.00 C ATOM 391 CD2 TRP A 38 -2.085 8.953 -4.143 1.00 0.00 C ATOM 392 NE1 TRP A 38 -2.965 7.080 -4.910 1.00 0.00 N ATOM 393 CE2 TRP A 38 -2.967 8.399 -5.084 1.00 0.00 C ATOM 394 CE3 TRP A 38 -1.899 10.358 -4.071 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -3.720 9.227 -5.936 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -2.630 11.171 -4.935 1.00 0.00 C ATOM 397 CH2 TRP A 38 -3.533 10.623 -5.875 1.00 0.00 C ATOM 0 H TRP A 38 -3.283 6.271 -1.299 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.581 8.291 0.040 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.462 8.914 -1.917 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.321 7.169 -1.853 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.026 5.785 -3.486 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.476 6.407 -5.481 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.206 10.788 -3.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.431 8.799 -6.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.504 12.243 -4.886 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.078 11.272 -6.544 1.00 0.00 H new ATOM 408 N ALA A 39 -2.990 10.180 -0.884 1.00 0.00 N ATOM 409 CA ALA A 39 -4.015 11.223 -0.914 1.00 0.00 C ATOM 410 C ALA A 39 -3.526 12.434 -1.728 1.00 0.00 C ATOM 411 O ALA A 39 -2.371 12.823 -1.591 1.00 0.00 O ATOM 412 CB ALA A 39 -4.324 11.659 0.527 1.00 0.00 C ATOM 0 H ALA A 39 -2.055 10.528 -0.671 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.915 10.829 -1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.087 12.437 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.686 10.803 1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.418 12.047 0.992 1.00 0.00 H new ATOM 418 N PRO A 40 -4.396 13.012 -2.569 1.00 0.00 N ATOM 419 CA PRO A 40 -4.054 14.211 -3.351 1.00 0.00 C ATOM 420 C PRO A 40 -3.726 15.441 -2.479 1.00 0.00 C ATOM 421 O PRO A 40 -2.858 16.222 -2.818 1.00 0.00 O ATOM 422 CB PRO A 40 -5.230 14.469 -4.283 1.00 0.00 C ATOM 423 CG PRO A 40 -6.356 13.543 -3.837 1.00 0.00 C ATOM 424 CD PRO A 40 -5.714 12.476 -2.958 1.00 0.00 C ATOM 0 HA PRO A 40 -3.136 14.035 -3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.543 15.512 -4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.953 14.271 -5.319 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.117 14.095 -3.285 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.851 13.092 -4.697 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.327 12.272 -2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.609 11.536 -3.499 1.00 0.00 H new ATOM 557 N ALA A 49 4.370 4.235 -3.466 1.00 0.00 N ATOM 558 CA ALA A 49 4.225 3.195 -4.515 1.00 0.00 C ATOM 559 C ALA A 49 5.538 2.533 -4.992 1.00 0.00 C ATOM 560 O ALA A 49 5.652 1.325 -4.813 1.00 0.00 O ATOM 561 CB ALA A 49 3.301 3.651 -5.656 1.00 0.00 C ATOM 0 HA ALA A 49 3.722 2.368 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.224 2.859 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.311 3.871 -5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.712 4.547 -6.121 1.00 0.00 H new ATOM 567 N PRO A 50 6.586 3.307 -5.327 1.00 0.00 N ATOM 568 CA PRO A 50 7.927 2.781 -5.671 1.00 0.00 C ATOM 569 C PRO A 50 8.524 1.961 -4.511 1.00 0.00 C ATOM 570 O PRO A 50 8.925 0.822 -4.731 1.00 0.00 O ATOM 571 CB PRO A 50 8.798 4.009 -5.908 1.00 0.00 C ATOM 572 CG PRO A 50 7.820 5.112 -6.314 1.00 0.00 C ATOM 573 CD PRO A 50 6.523 4.742 -5.589 1.00 0.00 C ATOM 0 HA PRO A 50 7.871 2.123 -6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.350 4.282 -5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.534 3.826 -6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.180 6.096 -6.012 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.679 5.142 -7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.426 5.302 -4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.654 4.986 -6.200 1.00 0.00 H new ATOM 581 N VAL A 51 8.464 2.494 -3.283 1.00 0.00 N ATOM 582 CA VAL A 51 8.954 1.780 -2.085 1.00 0.00 C ATOM 583 C VAL A 51 8.223 0.434 -1.908 1.00 0.00 C ATOM 584 O VAL A 51 8.875 -0.605 -1.802 1.00 0.00 O ATOM 585 CB VAL A 51 8.873 2.693 -0.841 1.00 0.00 C ATOM 586 CG1 VAL A 51 9.282 1.972 0.457 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.766 3.923 -1.014 1.00 0.00 C ATOM 0 H VAL A 51 8.081 3.419 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 51 10.007 1.533 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 51 7.828 2.989 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.205 2.663 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.621 1.122 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.310 1.620 0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.694 4.552 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.800 3.606 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.441 4.488 -1.887 1.00 0.00 H new ATOM 597 N ILE A 52 6.896 0.441 -2.063 1.00 0.00 N ATOM 598 CA ILE A 52 6.043 -0.773 -2.029 1.00 0.00 C ATOM 599 C ILE A 52 6.373 -1.745 -3.174 1.00 0.00 C ATOM 600 O ILE A 52 6.515 -2.943 -2.953 1.00 0.00 O ATOM 601 CB ILE A 52 4.575 -0.307 -1.925 1.00 0.00 C ATOM 602 CG1 ILE A 52 4.154 0.034 -0.483 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.546 -1.289 -2.480 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.989 1.090 0.229 1.00 0.00 C ATOM 0 H ILE A 52 6.366 1.299 -2.219 1.00 0.00 H new ATOM 0 HA ILE A 52 6.246 -1.385 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 52 4.570 0.587 -2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.117 0.370 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.183 -0.881 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.545 -0.873 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.744 -1.464 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.613 -2.232 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.598 1.245 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.025 0.755 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.942 2.026 -0.327 1.00 0.00 H new ATOM 616 N ASP A 53 6.636 -1.186 -4.360 1.00 0.00 N ATOM 617 CA ASP A 53 7.081 -2.002 -5.524 1.00 0.00 C ATOM 618 C ASP A 53 8.436 -2.694 -5.299 1.00 0.00 C ATOM 619 O ASP A 53 8.679 -3.812 -5.744 1.00 0.00 O ATOM 620 CB ASP A 53 7.142 -1.180 -6.821 1.00 0.00 C ATOM 621 CG ASP A 53 5.738 -0.914 -7.384 1.00 0.00 C ATOM 622 OD1 ASP A 53 5.036 -1.902 -7.683 1.00 0.00 O ATOM 623 OD2 ASP A 53 5.424 0.290 -7.519 1.00 0.00 O ATOM 0 H ASP A 53 6.554 -0.187 -4.551 1.00 0.00 H new ATOM 0 HA ASP A 53 6.320 -2.776 -5.626 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.644 -0.232 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.738 -1.712 -7.563 1.00 0.00 H new ATOM 629 N GLU A 54 9.282 -2.009 -4.559 1.00 0.00 N ATOM 630 CA GLU A 54 10.592 -2.523 -4.117 1.00 0.00 C ATOM 631 C GLU A 54 10.505 -3.548 -2.993 1.00 0.00 C ATOM 632 O GLU A 54 11.251 -4.519 -2.986 1.00 0.00 O ATOM 633 CB GLU A 54 11.430 -1.361 -3.626 1.00 0.00 C ATOM 634 CG GLU A 54 11.982 -0.484 -4.749 1.00 0.00 C ATOM 635 CD GLU A 54 12.677 0.731 -4.150 1.00 0.00 C ATOM 636 OE1 GLU A 54 12.117 1.834 -4.308 1.00 0.00 O ATOM 637 OE2 GLU A 54 13.734 0.527 -3.506 1.00 0.00 O ATOM 0 H GLU A 54 9.090 -1.061 -4.234 1.00 0.00 H new ATOM 0 HA GLU A 54 11.035 -3.024 -4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.826 -0.745 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.262 -1.748 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.684 -1.054 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.173 -0.166 -5.407 1.00 0.00 H new ATOM 645 N LEU A 55 9.614 -3.296 -2.032 1.00 0.00 N ATOM 646 CA LEU A 55 9.283 -4.254 -0.959 1.00 0.00 C ATOM 647 C LEU A 55 8.807 -5.603 -1.524 1.00 0.00 C ATOM 648 O LEU A 55 9.249 -6.660 -1.080 1.00 0.00 O ATOM 649 CB LEU A 55 8.128 -3.665 -0.119 1.00 0.00 C ATOM 650 CG LEU A 55 8.524 -2.591 0.896 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.257 -1.966 1.479 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.361 -3.185 2.039 1.00 0.00 C ATOM 0 H LEU A 55 9.096 -2.420 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 55 10.182 -4.419 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.389 -3.241 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.639 -4.480 0.415 1.00 0.00 H new ATOM 0 HG LEU A 55 9.125 -1.839 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.530 -1.199 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.671 -1.516 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.665 -2.737 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.626 -2.397 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.782 -3.952 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.270 -3.629 1.632 1.00 0.00 H new ATOM 664 N ALA A 56 8.169 -5.498 -2.681 1.00 0.00 N ATOM 665 CA ALA A 56 7.684 -6.657 -3.442 1.00 0.00 C ATOM 666 C ALA A 56 8.853 -7.600 -3.802 1.00 0.00 C ATOM 667 O ALA A 56 8.957 -8.707 -3.273 1.00 0.00 O ATOM 668 CB ALA A 56 6.984 -6.151 -4.711 1.00 0.00 C ATOM 0 H ALA A 56 7.968 -4.603 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 56 6.978 -7.225 -2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.618 -7.000 -5.288 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.146 -5.512 -4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.691 -5.581 -5.314 1.00 0.00 H new ATOM 674 N LYS A 57 9.852 -7.018 -4.463 1.00 0.00 N ATOM 675 CA LYS A 57 11.094 -7.710 -4.867 1.00 0.00 C ATOM 676 C LYS A 57 11.924 -8.193 -3.675 1.00 0.00 C ATOM 677 O LYS A 57 12.423 -9.318 -3.678 1.00 0.00 O ATOM 678 CB LYS A 57 12.023 -6.783 -5.634 1.00 0.00 C ATOM 679 CG LYS A 57 11.372 -5.880 -6.677 1.00 0.00 C ATOM 680 CD LYS A 57 12.486 -4.879 -6.968 1.00 0.00 C ATOM 681 CE LYS A 57 11.997 -3.615 -7.652 1.00 0.00 C ATOM 682 NZ LYS A 57 11.581 -4.084 -8.971 1.00 0.00 N ATOM 0 H LYS A 57 9.830 -6.037 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 57 10.749 -8.550 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.546 -6.152 -4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.778 -7.392 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.077 -6.433 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.476 -5.393 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.977 -4.610 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.238 -5.356 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.170 -3.158 -7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.785 -2.865 -7.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.678 -3.312 -9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.180 -4.884 -9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.588 -4.391 -8.933 1.00 0.00 H new ATOM 696 N GLU A 58 11.947 -7.353 -2.637 1.00 0.00 N ATOM 697 CA GLU A 58 12.728 -7.552 -1.416 1.00 0.00 C ATOM 698 C GLU A 58 12.432 -8.895 -0.715 1.00 0.00 C ATOM 699 O GLU A 58 13.355 -9.590 -0.320 1.00 0.00 O ATOM 700 CB GLU A 58 12.427 -6.316 -0.560 1.00 0.00 C ATOM 701 CG GLU A 58 13.143 -6.265 0.776 1.00 0.00 C ATOM 702 CD GLU A 58 13.186 -4.824 1.271 1.00 0.00 C ATOM 703 OE1 GLU A 58 12.299 -4.458 2.076 1.00 0.00 O ATOM 704 OE2 GLU A 58 14.119 -4.120 0.830 1.00 0.00 O ATOM 0 H GLU A 58 11.405 -6.489 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 58 13.795 -7.635 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.692 -5.426 -1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.353 -6.271 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.629 -6.895 1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.155 -6.657 0.674 1.00 0.00 H new ATOM 712 N TYR A 59 11.162 -9.280 -0.730 1.00 0.00 N ATOM 713 CA TYR A 59 10.735 -10.585 -0.202 1.00 0.00 C ATOM 714 C TYR A 59 9.965 -11.406 -1.248 1.00 0.00 C ATOM 715 O TYR A 59 8.812 -11.803 -1.076 1.00 0.00 O ATOM 716 CB TYR A 59 10.003 -10.473 1.153 1.00 0.00 C ATOM 717 CG TYR A 59 9.118 -9.245 1.333 1.00 0.00 C ATOM 718 CD1 TYR A 59 7.772 -9.260 0.926 1.00 0.00 C ATOM 719 CD2 TYR A 59 9.736 -8.087 1.857 1.00 0.00 C ATOM 720 CE1 TYR A 59 7.016 -8.087 1.024 1.00 0.00 C ATOM 721 CE2 TYR A 59 8.987 -6.902 1.957 1.00 0.00 C ATOM 722 CZ TYR A 59 7.637 -6.930 1.531 1.00 0.00 C ATOM 723 OH TYR A 59 6.902 -5.795 1.617 1.00 0.00 O ATOM 0 H TYR A 59 10.402 -8.710 -1.102 1.00 0.00 H new ATOM 0 HA TYR A 59 11.643 -11.149 0.013 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.388 -11.363 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.749 -10.479 1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.327 -10.166 0.542 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.768 -8.112 2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.980 -8.070 0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.428 -5.997 2.347 1.00 0.00 H new ATOM 0 HH TYR A 59 7.346 -5.162 2.219 1.00 0.00 H new ATOM 733 N SER A 60 10.640 -11.586 -2.382 1.00 0.00 N ATOM 734 CA SER A 60 10.134 -12.353 -3.536 1.00 0.00 C ATOM 735 C SER A 60 9.480 -13.699 -3.188 1.00 0.00 C ATOM 736 O SER A 60 10.106 -14.632 -2.694 1.00 0.00 O ATOM 737 CB SER A 60 11.223 -12.548 -4.608 1.00 0.00 C ATOM 738 OG SER A 60 11.411 -11.312 -5.306 1.00 0.00 O ATOM 0 H SER A 60 11.571 -11.199 -2.535 1.00 0.00 H new ATOM 0 HA SER A 60 9.332 -11.733 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.157 -12.865 -4.144 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.930 -13.334 -5.304 1.00 0.00 H new ATOM 0 HG SER A 60 11.723 -10.626 -4.679 1.00 0.00 H new ATOM 744 N GLY A 61 8.199 -13.738 -3.568 1.00 0.00 N ATOM 745 CA GLY A 61 7.233 -14.812 -3.255 1.00 0.00 C ATOM 746 C GLY A 61 6.414 -14.395 -2.017 1.00 0.00 C ATOM 747 O GLY A 61 6.275 -15.160 -1.058 1.00 0.00 O ATOM 0 H GLY A 61 7.783 -12.993 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.572 -14.985 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.758 -15.748 -3.063 1.00 0.00 H new ATOM 751 N LYS A 62 5.737 -13.263 -2.160 1.00 0.00 N ATOM 752 CA LYS A 62 5.098 -12.537 -1.054 1.00 0.00 C ATOM 753 C LYS A 62 3.555 -12.511 -1.051 1.00 0.00 C ATOM 754 O LYS A 62 2.862 -13.525 -1.081 1.00 0.00 O ATOM 755 CB LYS A 62 5.799 -11.143 -0.979 1.00 0.00 C ATOM 756 CG LYS A 62 5.680 -10.186 -2.188 1.00 0.00 C ATOM 757 CD LYS A 62 6.359 -10.625 -3.494 1.00 0.00 C ATOM 758 CE LYS A 62 5.920 -9.814 -4.712 1.00 0.00 C ATOM 759 NZ LYS A 62 4.540 -10.146 -5.119 1.00 0.00 N ATOM 0 H LYS A 62 5.610 -12.809 -3.064 1.00 0.00 H new ATOM 0 HA LYS A 62 5.252 -13.086 -0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.407 -10.622 -0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.860 -11.316 -0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.621 -10.029 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.095 -9.221 -1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.439 -10.538 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.141 -11.678 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.987 -8.750 -4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.600 -10.006 -5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.329 -9.695 -6.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.444 -11.177 -5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.873 -9.800 -4.400 1.00 0.00 H new ATOM 773 N ILE A 63 3.081 -11.269 -1.140 1.00 0.00 N ATOM 774 CA ILE A 63 1.734 -10.698 -1.035 1.00 0.00 C ATOM 775 C ILE A 63 1.457 -9.913 -2.335 1.00 0.00 C ATOM 776 O ILE A 63 2.370 -9.329 -2.938 1.00 0.00 O ATOM 777 CB ILE A 63 1.730 -9.740 0.178 1.00 0.00 C ATOM 778 CG1 ILE A 63 2.935 -8.786 0.140 1.00 0.00 C ATOM 779 CG2 ILE A 63 1.605 -10.543 1.477 1.00 0.00 C ATOM 780 CD1 ILE A 63 3.214 -7.949 1.395 1.00 0.00 C ATOM 0 H ILE A 63 3.745 -10.516 -1.317 1.00 0.00 H new ATOM 0 HA ILE A 63 0.970 -11.464 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 63 0.856 -9.091 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.825 -9.377 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.796 -8.102 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.603 -9.861 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.675 -11.111 1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.448 -11.228 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.091 -7.323 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.352 -7.317 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.397 -8.612 2.241 1.00 0.00 H new ATOM 792 N ALA A 64 0.192 -9.892 -2.731 1.00 0.00 N ATOM 793 CA ALA A 64 -0.262 -9.153 -3.916 1.00 0.00 C ATOM 794 C ALA A 64 -0.238 -7.633 -3.652 1.00 0.00 C ATOM 795 O ALA A 64 -0.768 -7.181 -2.645 1.00 0.00 O ATOM 796 CB ALA A 64 -1.658 -9.652 -4.299 1.00 0.00 C ATOM 0 H ALA A 64 -0.555 -10.386 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 64 0.413 -9.332 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.009 -9.112 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.615 -10.718 -4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.345 -9.482 -3.470 1.00 0.00 H new ATOM 802 N VAL A 65 0.304 -6.878 -4.596 1.00 0.00 N ATOM 803 CA VAL A 65 0.588 -5.426 -4.420 1.00 0.00 C ATOM 804 C VAL A 65 -0.440 -4.548 -5.163 1.00 0.00 C ATOM 805 O VAL A 65 -0.574 -4.575 -6.387 1.00 0.00 O ATOM 806 CB VAL A 65 2.031 -5.134 -4.826 1.00 0.00 C ATOM 807 CG1 VAL A 65 2.422 -3.649 -4.882 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.026 -5.840 -3.888 1.00 0.00 C ATOM 0 H VAL A 65 0.567 -7.237 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 65 0.481 -5.165 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 65 2.084 -5.518 -5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.466 -3.559 -5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.792 -3.134 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.286 -3.200 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.045 -5.614 -4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.874 -5.490 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.864 -6.917 -3.930 1.00 0.00 H new ATOM 818 N TYR A 66 -1.014 -3.653 -4.360 1.00 0.00 N ATOM 819 CA TYR A 66 -2.087 -2.729 -4.753 1.00 0.00 C ATOM 820 C TYR A 66 -1.854 -1.288 -4.292 1.00 0.00 C ATOM 821 O TYR A 66 -1.560 -1.044 -3.125 1.00 0.00 O ATOM 822 CB TYR A 66 -3.398 -3.224 -4.123 1.00 0.00 C ATOM 823 CG TYR A 66 -3.891 -4.530 -4.722 1.00 0.00 C ATOM 824 CD1 TYR A 66 -4.550 -4.468 -5.966 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.490 -5.760 -4.147 1.00 0.00 C ATOM 826 CE1 TYR A 66 -4.755 -5.649 -6.687 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.718 -6.943 -4.861 1.00 0.00 C ATOM 828 CZ TYR A 66 -4.344 -6.876 -6.121 1.00 0.00 C ATOM 829 OH TYR A 66 -4.619 -8.021 -6.800 1.00 0.00 O ATOM 0 H TYR A 66 -0.738 -3.544 -3.384 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.119 -2.718 -5.842 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.252 -3.355 -3.051 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.166 -2.461 -4.249 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.892 -3.521 -6.357 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.017 -5.786 -3.176 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.220 -5.623 -7.661 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.417 -7.896 -4.450 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.279 -8.790 -6.296 1.00 0.00 H new ATOM 839 N LYS A 67 -2.315 -0.372 -5.139 1.00 0.00 N ATOM 840 CA LYS A 67 -2.201 1.077 -4.889 1.00 0.00 C ATOM 841 C LYS A 67 -3.579 1.731 -4.964 1.00 0.00 C ATOM 842 O LYS A 67 -4.235 1.772 -6.006 1.00 0.00 O ATOM 843 CB LYS A 67 -1.219 1.867 -5.759 1.00 0.00 C ATOM 844 CG LYS A 67 -0.557 1.171 -6.955 1.00 0.00 C ATOM 845 CD LYS A 67 0.549 0.211 -6.531 1.00 0.00 C ATOM 846 CE LYS A 67 1.347 -0.147 -7.782 1.00 0.00 C ATOM 847 NZ LYS A 67 1.524 -1.599 -7.801 1.00 0.00 N ATOM 0 H LYS A 67 -2.778 -0.604 -6.018 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.771 1.126 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.747 2.742 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.423 2.231 -5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.313 0.624 -7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.143 1.924 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.194 0.674 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.126 -0.685 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.822 0.185 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.314 0.355 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.667 -1.919 -8.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.354 -1.855 -7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.677 -2.057 -7.407 1.00 0.00 H new ATOM 861 N LEU A 68 -4.000 2.142 -3.778 1.00 0.00 N ATOM 862 CA LEU A 68 -5.312 2.771 -3.578 1.00 0.00 C ATOM 863 C LEU A 68 -5.187 4.290 -3.439 1.00 0.00 C ATOM 864 O LEU A 68 -4.481 4.834 -2.596 1.00 0.00 O ATOM 865 CB LEU A 68 -5.974 2.149 -2.332 1.00 0.00 C ATOM 866 CG LEU A 68 -7.411 2.661 -2.151 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.441 1.634 -2.629 1.00 0.00 C ATOM 868 CD2 LEU A 68 -7.679 2.977 -0.686 1.00 0.00 C ATOM 0 H LEU A 68 -3.449 2.053 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.937 2.587 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.981 1.063 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.386 2.389 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.509 3.564 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.445 2.032 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.282 1.424 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.330 0.713 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.701 3.339 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.545 2.075 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.983 3.744 -0.346 1.00 0.00 H new ATOM 880 N ASN A 69 -5.953 4.955 -4.313 1.00 0.00 N ATOM 881 CA ASN A 69 -6.194 6.405 -4.267 1.00 0.00 C ATOM 882 C ASN A 69 -7.219 6.557 -3.144 1.00 0.00 C ATOM 883 O ASN A 69 -8.418 6.374 -3.343 1.00 0.00 O ATOM 884 CB ASN A 69 -6.741 6.891 -5.614 1.00 0.00 C ATOM 885 CG ASN A 69 -5.799 6.756 -6.814 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.958 5.882 -6.918 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.028 7.565 -7.832 1.00 0.00 N ATOM 0 H ASN A 69 -6.432 4.493 -5.086 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.297 6.997 -4.085 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.655 6.339 -5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.019 7.940 -5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.502 7.456 -8.699 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.731 8.299 -7.752 1.00 0.00 H new ATOM 894 N THR A 70 -6.710 6.827 -1.948 1.00 0.00 N ATOM 895 CA THR A 70 -7.551 6.782 -0.733 1.00 0.00 C ATOM 896 C THR A 70 -8.831 7.630 -0.762 1.00 0.00 C ATOM 897 O THR A 70 -9.927 7.145 -0.498 1.00 0.00 O ATOM 898 CB THR A 70 -6.740 7.036 0.537 1.00 0.00 C ATOM 899 OG1 THR A 70 -7.551 6.611 1.633 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.275 8.473 0.778 1.00 0.00 C ATOM 0 H THR A 70 -5.735 7.077 -1.782 1.00 0.00 H new ATOM 0 HA THR A 70 -7.916 5.755 -0.720 1.00 0.00 H new ATOM 0 HB THR A 70 -5.810 6.479 0.427 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.231 7.030 2.459 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.711 8.522 1.710 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.640 8.793 -0.048 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.142 9.130 0.844 1.00 0.00 H new ATOM 908 N ASP A 71 -8.675 8.792 -1.382 1.00 0.00 N ATOM 909 CA ASP A 71 -9.786 9.736 -1.600 1.00 0.00 C ATOM 910 C ASP A 71 -10.809 9.271 -2.647 1.00 0.00 C ATOM 911 O ASP A 71 -11.989 9.595 -2.563 1.00 0.00 O ATOM 912 CB ASP A 71 -9.280 11.135 -1.947 1.00 0.00 C ATOM 913 CG ASP A 71 -8.658 11.792 -0.712 1.00 0.00 C ATOM 914 OD1 ASP A 71 -9.325 12.660 -0.125 1.00 0.00 O ATOM 915 OD2 ASP A 71 -7.492 11.445 -0.425 1.00 0.00 O ATOM 0 H ASP A 71 -7.781 9.115 -1.751 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.311 9.770 -0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.542 11.075 -2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.103 11.746 -2.318 1.00 0.00 H new ATOM 921 N GLU A 72 -10.348 8.458 -3.589 1.00 0.00 N ATOM 922 CA GLU A 72 -11.210 7.856 -4.607 1.00 0.00 C ATOM 923 C GLU A 72 -12.070 6.721 -4.020 1.00 0.00 C ATOM 924 O GLU A 72 -13.198 6.485 -4.462 1.00 0.00 O ATOM 925 CB GLU A 72 -10.231 7.455 -5.710 1.00 0.00 C ATOM 926 CG GLU A 72 -10.842 6.986 -7.031 1.00 0.00 C ATOM 927 CD GLU A 72 -11.051 5.477 -6.922 1.00 0.00 C ATOM 928 OE1 GLU A 72 -10.027 4.801 -6.677 1.00 0.00 O ATOM 929 OE2 GLU A 72 -12.234 5.075 -6.876 1.00 0.00 O ATOM 0 H GLU A 72 -9.366 8.195 -3.672 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.972 8.523 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.584 8.307 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.594 6.657 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.789 7.493 -7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.183 7.224 -7.866 1.00 0.00 H new ATOM 937 N ALA A 73 -11.568 6.097 -2.958 1.00 0.00 N ATOM 938 CA ALA A 73 -12.294 5.054 -2.207 1.00 0.00 C ATOM 939 C ALA A 73 -12.353 5.344 -0.683 1.00 0.00 C ATOM 940 O ALA A 73 -11.848 4.567 0.129 1.00 0.00 O ATOM 941 CB ALA A 73 -11.681 3.694 -2.570 1.00 0.00 C ATOM 0 H ALA A 73 -10.640 6.296 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.344 5.045 -2.498 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.201 2.904 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.781 3.524 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.625 3.687 -2.299 1.00 0.00 H new ATOM 947 N PRO A 74 -13.153 6.358 -0.277 1.00 0.00 N ATOM 948 CA PRO A 74 -13.263 6.806 1.131 1.00 0.00 C ATOM 949 C PRO A 74 -13.721 5.677 2.074 1.00 0.00 C ATOM 950 O PRO A 74 -13.072 5.443 3.089 1.00 0.00 O ATOM 951 CB PRO A 74 -14.306 7.928 1.119 1.00 0.00 C ATOM 952 CG PRO A 74 -14.322 8.405 -0.322 1.00 0.00 C ATOM 953 CD PRO A 74 -14.088 7.124 -1.126 1.00 0.00 C ATOM 0 HA PRO A 74 -12.291 7.131 1.503 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.286 7.565 1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.034 8.733 1.802 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.273 8.872 -0.579 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.543 9.144 -0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.017 6.579 -1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.660 7.336 -2.106 1.00 0.00 H new ATOM 961 N GLY A 75 -14.634 4.859 1.564 1.00 0.00 N ATOM 962 CA GLY A 75 -15.253 3.690 2.230 1.00 0.00 C ATOM 963 C GLY A 75 -14.232 2.644 2.697 1.00 0.00 C ATOM 964 O GLY A 75 -14.457 1.946 3.681 1.00 0.00 O ATOM 0 H GLY A 75 -14.992 4.991 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.829 4.034 3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.956 3.219 1.542 1.00 0.00 H new ATOM 968 N ILE A 76 -13.130 2.534 1.963 1.00 0.00 N ATOM 969 CA ILE A 76 -11.986 1.692 2.340 1.00 0.00 C ATOM 970 C ILE A 76 -11.243 2.274 3.552 1.00 0.00 C ATOM 971 O ILE A 76 -11.141 1.631 4.596 1.00 0.00 O ATOM 972 CB ILE A 76 -11.111 1.499 1.085 1.00 0.00 C ATOM 973 CG1 ILE A 76 -11.865 0.775 -0.048 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.789 0.795 1.386 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.572 -0.524 0.364 1.00 0.00 C ATOM 0 H ILE A 76 -12.998 3.029 1.081 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.311 0.707 2.675 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.872 2.505 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.606 1.457 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.158 0.548 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.216 0.687 0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.217 1.385 2.102 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.989 -0.191 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.072 -0.956 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.838 -1.231 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.308 -0.308 1.138 1.00 0.00 H new ATOM 987 N ALA A 77 -10.894 3.550 3.451 1.00 0.00 N ATOM 988 CA ALA A 77 -10.276 4.305 4.559 1.00 0.00 C ATOM 989 C ALA A 77 -11.153 4.289 5.819 1.00 0.00 C ATOM 990 O ALA A 77 -10.634 4.094 6.910 1.00 0.00 O ATOM 991 CB ALA A 77 -9.963 5.733 4.109 1.00 0.00 C ATOM 0 H ALA A 77 -11.027 4.100 2.603 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.340 3.814 4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.507 6.282 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.273 5.706 3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.885 6.230 3.808 1.00 0.00 H new ATOM 997 N THR A 78 -12.483 4.313 5.616 1.00 0.00 N ATOM 998 CA THR A 78 -13.482 4.105 6.681 1.00 0.00 C ATOM 999 C THR A 78 -13.295 2.713 7.319 1.00 0.00 C ATOM 1000 O THR A 78 -12.980 2.573 8.500 1.00 0.00 O ATOM 1001 CB THR A 78 -14.857 4.108 6.024 1.00 0.00 C ATOM 1002 OG1 THR A 78 -15.067 5.342 5.314 1.00 0.00 O ATOM 1003 CG2 THR A 78 -16.049 3.871 6.959 1.00 0.00 C ATOM 0 H THR A 78 -12.899 4.479 4.699 1.00 0.00 H new ATOM 0 HA THR A 78 -13.376 4.882 7.438 1.00 0.00 H new ATOM 0 HB THR A 78 -14.831 3.249 5.353 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.528 5.344 4.496 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.974 3.894 6.383 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.946 2.899 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.076 4.651 7.720 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.474 1.697 6.469 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.477 0.265 6.800 1.00 0.00 C ATOM 1013 C GLN A 79 -12.222 -0.186 7.577 1.00 0.00 C ATOM 1014 O GLN A 79 -12.289 -1.098 8.406 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.498 -0.493 5.470 1.00 0.00 C ATOM 1016 CG GLN A 79 -14.022 -1.919 5.595 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.129 -2.667 4.263 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -13.769 -3.835 4.147 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -14.577 -2.020 3.200 1.00 0.00 N ATOM 0 H GLN A 79 -13.630 1.859 5.474 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.339 0.064 7.435 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.118 0.053 4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.489 -0.519 5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.365 -2.478 6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.005 -1.893 6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.879 -1.049 3.284 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.621 -2.492 2.297 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.090 0.403 7.206 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.788 0.074 7.801 1.00 0.00 C ATOM 1030 C TYR A 80 -9.285 1.096 8.836 1.00 0.00 C ATOM 1031 O TYR A 80 -8.180 0.977 9.370 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.773 -0.093 6.653 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.181 -1.253 5.744 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.464 -2.532 6.292 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.576 -0.923 4.429 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.187 -3.460 5.537 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.306 -1.855 3.667 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.598 -3.104 4.235 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.210 -4.049 3.465 1.00 0.00 O ATOM 0 H TYR A 80 -11.043 1.123 6.485 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.905 -0.850 8.367 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.715 0.828 6.073 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.779 -0.275 7.062 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.123 -2.786 7.285 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.320 0.039 4.010 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.427 -4.432 5.943 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.634 -1.614 2.667 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.168 -4.069 3.672 1.00 0.00 H new ATOM 1049 N ASN A 81 -10.164 2.049 9.143 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.941 3.179 10.082 1.00 0.00 C ATOM 1051 C ASN A 81 -8.546 3.821 9.923 1.00 0.00 C ATOM 1052 O ASN A 81 -7.699 3.829 10.822 1.00 0.00 O ATOM 1053 CB ASN A 81 -10.249 2.715 11.510 1.00 0.00 C ATOM 1054 CG ASN A 81 -10.397 3.918 12.448 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -11.324 4.704 12.375 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -9.404 4.144 13.286 1.00 0.00 N ATOM 0 H ASN A 81 -11.097 2.067 8.732 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.631 3.987 9.836 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.166 2.127 11.517 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.450 2.065 11.867 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.412 4.978 13.874 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.628 3.485 13.347 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.329 4.311 8.711 1.00 0.00 N ATOM 1064 CA ILE A 82 -7.063 4.988 8.338 1.00 0.00 C ATOM 1065 C ILE A 82 -7.366 6.457 8.052 1.00 0.00 C ATOM 1066 O ILE A 82 -8.305 6.812 7.347 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.286 4.222 7.247 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.794 4.428 5.820 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.170 2.715 7.499 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.231 5.714 5.228 1.00 0.00 C ATOM 0 H ILE A 82 -9.010 4.259 7.953 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.356 4.976 9.167 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.300 4.679 7.327 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.505 3.579 5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.883 4.468 5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.610 2.252 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.651 2.543 8.442 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.167 2.277 7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.605 5.841 4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.542 6.562 5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.142 5.660 5.210 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.705 7.273 8.872 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.786 8.748 8.800 1.00 0.00 C ATOM 1084 C ARG A 83 -5.404 9.367 8.496 1.00 0.00 C ATOM 1085 O ARG A 83 -5.301 10.501 8.030 1.00 0.00 O ATOM 1086 CB ARG A 83 -7.275 9.347 10.120 1.00 0.00 C ATOM 1087 CG ARG A 83 -8.421 8.583 10.823 1.00 0.00 C ATOM 1088 CD ARG A 83 -7.927 7.812 12.047 1.00 0.00 C ATOM 1089 NE ARG A 83 -7.105 6.631 11.716 1.00 0.00 N ATOM 1090 CZ ARG A 83 -5.769 6.529 11.756 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -4.984 7.574 11.972 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -5.194 5.371 11.469 1.00 0.00 N ATOM 0 H ARG A 83 -6.091 6.936 9.614 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.491 8.977 8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.430 9.406 10.805 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.606 10.369 9.933 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.195 9.288 11.126 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.880 7.890 10.119 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.344 8.484 12.677 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.787 7.491 12.634 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.612 5.796 11.423 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.392 8.498 12.115 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.971 7.455 11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.767 4.565 11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.178 5.285 11.497 1.00 0.00 H new ATOM 1106 N SER A 84 -4.361 8.606 8.807 1.00 0.00 N ATOM 1107 CA SER A 84 -2.965 9.051 8.618 1.00 0.00 C ATOM 1108 C SER A 84 -2.329 8.416 7.373 1.00 0.00 C ATOM 1109 O SER A 84 -1.851 7.281 7.365 1.00 0.00 O ATOM 1110 CB SER A 84 -2.089 8.793 9.844 1.00 0.00 C ATOM 1111 OG SER A 84 -2.654 9.417 10.992 1.00 0.00 O ATOM 0 H SER A 84 -4.447 7.667 9.196 1.00 0.00 H new ATOM 0 HA SER A 84 -3.017 10.130 8.473 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.995 7.720 10.013 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.084 9.178 9.669 1.00 0.00 H new ATOM 0 HG SER A 84 -2.086 9.244 11.771 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.444 9.192 6.316 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.916 8.864 4.987 1.00 0.00 C ATOM 1119 C ILE A 85 -0.505 9.488 4.879 1.00 0.00 C ATOM 1120 O ILE A 85 -0.362 10.651 5.285 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.936 9.375 3.941 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -4.246 8.580 4.005 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -2.424 9.291 2.507 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -5.326 9.263 4.847 1.00 0.00 C ATOM 0 H ILE A 85 -2.918 10.095 6.347 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.797 7.795 4.808 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.099 10.421 4.199 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.623 8.432 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.044 7.592 4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.188 9.665 1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.522 9.894 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.196 8.254 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.227 8.649 4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.967 9.387 5.869 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.555 10.240 4.422 1.00 0.00 H new ATOM 1136 N PRO A 86 0.498 8.789 4.303 1.00 0.00 N ATOM 1137 CA PRO A 86 0.406 7.431 3.712 1.00 0.00 C ATOM 1138 C PRO A 86 0.185 6.252 4.674 1.00 0.00 C ATOM 1139 O PRO A 86 0.899 6.081 5.660 1.00 0.00 O ATOM 1140 CB PRO A 86 1.685 7.240 2.897 1.00 0.00 C ATOM 1141 CG PRO A 86 2.665 8.301 3.386 1.00 0.00 C ATOM 1142 CD PRO A 86 1.823 9.377 4.077 1.00 0.00 C ATOM 0 HA PRO A 86 -0.508 7.403 3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.092 6.239 3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.488 7.354 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.390 7.871 4.077 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.229 8.723 2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.279 9.680 5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.750 10.270 3.457 1.00 0.00 H new ATOM 1150 N THR A 87 -0.743 5.395 4.280 1.00 0.00 N ATOM 1151 CA THR A 87 -1.054 4.189 5.080 1.00 0.00 C ATOM 1152 C THR A 87 -0.820 2.948 4.228 1.00 0.00 C ATOM 1153 O THR A 87 -1.351 2.820 3.136 1.00 0.00 O ATOM 1154 CB THR A 87 -2.482 4.129 5.626 1.00 0.00 C ATOM 1155 OG1 THR A 87 -3.012 5.434 5.819 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.478 3.320 6.931 1.00 0.00 C ATOM 0 H THR A 87 -1.294 5.496 3.428 1.00 0.00 H new ATOM 0 HA THR A 87 -0.391 4.235 5.944 1.00 0.00 H new ATOM 0 HB THR A 87 -3.130 3.634 4.903 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.501 5.895 6.517 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.491 3.270 7.331 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.116 2.311 6.733 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.825 3.804 7.657 1.00 0.00 H new ATOM 1164 N VAL A 88 0.052 2.099 4.740 1.00 0.00 N ATOM 1165 CA VAL A 88 0.364 0.821 4.077 1.00 0.00 C ATOM 1166 C VAL A 88 -0.059 -0.353 4.970 1.00 0.00 C ATOM 1167 O VAL A 88 0.359 -0.459 6.131 1.00 0.00 O ATOM 1168 CB VAL A 88 1.803 0.793 3.536 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.857 1.013 4.618 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.098 -0.470 2.727 1.00 0.00 C ATOM 0 H VAL A 88 0.561 2.259 5.609 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.233 0.709 3.172 1.00 0.00 H new ATOM 0 HB VAL A 88 1.870 1.642 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.850 0.982 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.701 1.985 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.774 0.230 5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.127 -0.440 2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.960 -1.347 3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.418 -0.524 1.877 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.027 -1.087 4.452 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.658 -2.226 5.155 1.00 0.00 C ATOM 1182 C LEU A 89 -1.216 -3.563 4.564 1.00 0.00 C ATOM 1183 O LEU A 89 -0.920 -3.673 3.367 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.195 -2.155 5.117 1.00 0.00 C ATOM 1185 CG LEU A 89 -3.819 -1.024 5.932 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.840 0.300 5.173 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.255 -1.408 6.265 1.00 0.00 C ATOM 0 H LEU A 89 -1.412 -0.920 3.522 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.328 -2.156 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.511 -2.050 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.595 -3.103 5.477 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.214 -0.886 6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.294 1.070 5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.820 0.591 4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.421 0.186 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.719 -0.612 6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.816 -1.556 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.260 -2.331 6.844 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.202 -4.541 5.455 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.788 -5.924 5.161 1.00 0.00 C ATOM 1201 C PHE A 90 -1.878 -6.854 5.703 1.00 0.00 C ATOM 1202 O PHE A 90 -2.292 -6.821 6.870 1.00 0.00 O ATOM 1203 CB PHE A 90 0.551 -6.277 5.807 1.00 0.00 C ATOM 1204 CG PHE A 90 1.596 -5.170 5.676 1.00 0.00 C ATOM 1205 CD1 PHE A 90 2.256 -4.950 4.445 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.749 -4.263 6.753 1.00 0.00 C ATOM 1207 CE1 PHE A 90 3.070 -3.814 4.286 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.544 -3.112 6.590 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.209 -2.905 5.360 1.00 0.00 C ATOM 0 H PHE A 90 -1.482 -4.404 6.426 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.660 -6.035 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.391 -6.493 6.863 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.938 -7.188 5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.136 -5.650 3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.258 -4.453 7.696 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.584 -3.638 3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.644 -2.397 7.394 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.836 -2.034 5.238 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.409 -7.557 4.720 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.540 -8.495 4.827 1.00 0.00 C ATOM 1221 C PHE A 91 -3.066 -9.937 4.720 1.00 0.00 C ATOM 1222 O PHE A 91 -2.196 -10.265 3.910 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.511 -8.206 3.680 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.293 -6.910 3.852 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.694 -5.653 3.606 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.678 -7.008 4.130 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.498 -4.491 3.653 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.475 -5.850 4.173 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.876 -4.593 3.927 1.00 0.00 C ATOM 0 H PHE A 91 -2.051 -7.494 3.767 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.023 -8.363 5.795 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.952 -8.162 2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.213 -9.035 3.593 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.639 -5.582 3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.124 -7.975 4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.054 -3.522 3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.530 -5.920 4.391 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.483 -3.700 3.949 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.751 -10.767 5.486 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.484 -12.220 5.516 1.00 0.00 C ATOM 1241 C LYS A 92 -4.576 -12.990 4.758 1.00 0.00 C ATOM 1242 O LYS A 92 -4.563 -13.025 3.525 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.350 -12.620 6.988 1.00 0.00 C ATOM 1244 CG LYS A 92 -2.768 -14.013 7.170 1.00 0.00 C ATOM 1245 CD LYS A 92 -2.517 -14.229 8.664 1.00 0.00 C ATOM 1246 CE LYS A 92 -2.128 -15.675 8.963 1.00 0.00 C ATOM 1247 NZ LYS A 92 -3.315 -16.528 8.813 1.00 0.00 N ATOM 0 H LYS A 92 -4.505 -10.470 6.105 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.558 -12.474 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.716 -11.897 7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.330 -12.576 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.456 -14.767 6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -1.839 -14.114 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.725 -13.561 9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.414 -13.969 9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.341 -16.002 8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.730 -15.757 9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.147 -17.441 9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.136 -16.061 9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.503 -16.686 7.803 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.631 -13.373 5.467 1.00 0.00 N ATOM 1262 CA ASN A 93 -6.728 -14.171 4.880 1.00 0.00 C ATOM 1263 C ASN A 93 -7.972 -13.282 4.745 1.00 0.00 C ATOM 1264 O ASN A 93 -8.886 -13.335 5.566 1.00 0.00 O ATOM 1265 CB ASN A 93 -6.948 -15.400 5.754 1.00 0.00 C ATOM 1266 CG ASN A 93 -7.752 -16.455 5.002 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -7.231 -17.406 4.438 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -9.046 -16.271 4.915 1.00 0.00 N ATOM 0 H ASN A 93 -5.761 -13.148 6.454 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.487 -14.526 3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.987 -15.815 6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.474 -15.116 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.619 -16.921 4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.481 -15.477 5.386 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.879 -12.385 3.762 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.873 -11.313 3.537 1.00 0.00 C ATOM 1277 C GLY A 94 -9.032 -10.462 4.806 1.00 0.00 C ATOM 1278 O GLY A 94 -10.138 -10.023 5.134 1.00 0.00 O ATOM 0 H GLY A 94 -7.111 -12.375 3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.557 -10.683 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.833 -11.749 3.260 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.907 -10.193 5.472 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.909 -9.576 6.805 1.00 0.00 C ATOM 1284 C GLU A 95 -6.586 -8.885 7.114 1.00 0.00 C ATOM 1285 O GLU A 95 -5.533 -9.520 7.217 1.00 0.00 O ATOM 1286 CB GLU A 95 -8.190 -10.671 7.846 1.00 0.00 C ATOM 1287 CG GLU A 95 -8.453 -10.076 9.229 1.00 0.00 C ATOM 1288 CD GLU A 95 -8.463 -11.175 10.295 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -7.366 -11.691 10.582 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -9.580 -11.498 10.763 1.00 0.00 O ATOM 0 H GLU A 95 -6.975 -10.394 5.109 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.684 -8.810 6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.052 -11.260 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.340 -11.352 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.686 -9.339 9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.409 -9.552 9.230 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.747 -7.623 7.491 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.641 -6.728 7.829 1.00 0.00 C ATOM 1300 C ARG A 96 -5.251 -6.942 9.289 1.00 0.00 C ATOM 1301 O ARG A 96 -6.101 -7.076 10.179 1.00 0.00 O ATOM 1302 CB ARG A 96 -5.996 -5.253 7.584 1.00 0.00 C ATOM 1303 CG ARG A 96 -7.256 -4.785 8.320 1.00 0.00 C ATOM 1304 CD ARG A 96 -7.003 -3.477 9.079 1.00 0.00 C ATOM 1305 NE ARG A 96 -6.054 -3.718 10.179 1.00 0.00 N ATOM 1306 CZ ARG A 96 -5.535 -2.780 10.976 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -5.763 -1.483 10.793 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -4.768 -3.150 11.985 1.00 0.00 N ATOM 0 H ARG A 96 -7.663 -7.183 7.573 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.800 -6.967 7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.155 -4.631 7.893 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.133 -5.096 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.066 -4.642 7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.580 -5.557 9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.604 -2.723 8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.941 -3.087 9.474 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.769 -4.683 10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.353 -1.173 10.021 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.348 -0.798 11.424 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.580 -4.139 12.146 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.364 -2.446 12.603 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.978 -7.222 9.427 1.00 0.00 N ATOM 1323 CA LYS A 97 -3.358 -7.519 10.732 1.00 0.00 C ATOM 1324 C LYS A 97 -2.211 -6.574 11.138 1.00 0.00 C ATOM 1325 O LYS A 97 -1.991 -6.314 12.317 1.00 0.00 O ATOM 1326 CB LYS A 97 -2.975 -9.005 10.848 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.600 -9.707 9.535 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.279 -9.200 8.960 1.00 0.00 C ATOM 1329 CE LYS A 97 -0.864 -10.001 7.717 1.00 0.00 C ATOM 1330 NZ LYS A 97 -0.443 -11.352 8.111 1.00 0.00 N ATOM 0 H LYS A 97 -3.325 -7.255 8.644 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.133 -7.315 11.470 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.134 -9.090 11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.811 -9.541 11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.530 -10.781 9.708 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.394 -9.553 8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.375 -8.146 8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.499 -9.272 9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.697 -10.060 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.049 -9.493 7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.826 -12.045 7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.596 -11.406 8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.800 -11.562 9.065 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.531 -6.040 10.129 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.437 -5.078 10.291 1.00 0.00 C ATOM 1346 C GLU A 98 -0.709 -3.854 9.401 1.00 0.00 C ATOM 1347 O GLU A 98 -1.099 -4.013 8.247 1.00 0.00 O ATOM 1348 CB GLU A 98 0.896 -5.738 9.948 1.00 0.00 C ATOM 1349 CG GLU A 98 1.676 -6.134 11.209 1.00 0.00 C ATOM 1350 CD GLU A 98 1.040 -7.260 12.036 1.00 0.00 C ATOM 1351 OE1 GLU A 98 0.765 -8.339 11.450 1.00 0.00 O ATOM 1352 OE2 GLU A 98 0.932 -7.059 13.255 1.00 0.00 O ATOM 0 H GLU A 98 -1.726 -6.266 9.154 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.380 -4.746 11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.717 -6.623 9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.497 -5.054 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.680 -6.441 10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.784 -5.254 11.843 1.00 0.00 H new ATOM 1360 N SER A 99 -0.538 -2.685 10.003 1.00 0.00 N ATOM 1361 CA SER A 99 -0.826 -1.394 9.345 1.00 0.00 C ATOM 1362 C SER A 99 0.135 -0.298 9.805 1.00 0.00 C ATOM 1363 O SER A 99 0.268 -0.021 10.994 1.00 0.00 O ATOM 1364 CB SER A 99 -2.271 -0.964 9.656 1.00 0.00 C ATOM 1365 OG SER A 99 -3.173 -1.967 9.171 1.00 0.00 O ATOM 0 H SER A 99 -0.197 -2.592 10.960 1.00 0.00 H new ATOM 0 HA SER A 99 -0.696 -1.533 8.272 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.400 -0.829 10.730 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.487 -0.005 9.186 1.00 0.00 H new ATOM 0 HG SER A 99 -4.023 -1.549 8.920 1.00 0.00 H new ATOM 1371 N ILE A 100 0.828 0.276 8.822 1.00 0.00 N ATOM 1372 CA ILE A 100 1.795 1.367 9.029 1.00 0.00 C ATOM 1373 C ILE A 100 1.226 2.696 8.532 1.00 0.00 C ATOM 1374 O ILE A 100 0.914 2.877 7.357 1.00 0.00 O ATOM 1375 CB ILE A 100 3.172 0.951 8.448 1.00 0.00 C ATOM 1376 CG1 ILE A 100 4.032 0.231 9.492 1.00 0.00 C ATOM 1377 CG2 ILE A 100 4.016 2.096 7.869 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.431 -1.051 10.058 1.00 0.00 C ATOM 0 H ILE A 100 0.736 -0.003 7.845 1.00 0.00 H new ATOM 0 HA ILE A 100 1.973 1.543 10.090 1.00 0.00 H new ATOM 0 HB ILE A 100 2.901 0.291 7.624 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.996 -0.006 9.043 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.224 0.918 10.316 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.957 1.698 7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.471 2.575 7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.220 2.829 8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.116 -1.483 10.787 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.481 -0.825 10.542 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.265 -1.763 9.249 1.00 0.00 H new ATOM 1390 N ILE A 101 1.032 3.567 9.515 1.00 0.00 N ATOM 1391 CA ILE A 101 0.510 4.941 9.347 1.00 0.00 C ATOM 1392 C ILE A 101 1.595 6.024 9.321 1.00 0.00 C ATOM 1393 O ILE A 101 2.406 6.142 10.239 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.541 5.277 10.418 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -0.436 4.580 11.778 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -1.960 5.150 9.861 1.00 0.00 C ATOM 1397 CD1 ILE A 101 0.569 5.248 12.714 1.00 0.00 C ATOM 0 H ILE A 101 1.237 3.340 10.488 1.00 0.00 H new ATOM 0 HA ILE A 101 0.042 4.946 8.363 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.300 6.313 10.655 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.417 4.572 12.253 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.147 3.540 11.626 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.681 5.394 10.642 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -2.085 5.837 9.024 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.127 4.128 9.520 1.00 0.00 H new ATOM 0 HD11 ILE A 101 0.598 4.709 13.661 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.558 5.232 12.257 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.269 6.280 12.893 1.00 0.00 H new ATOM 1409 N GLY A 102 1.695 6.661 8.150 1.00 0.00 N ATOM 1410 CA GLY A 102 2.559 7.837 7.889 1.00 0.00 C ATOM 1411 C GLY A 102 4.031 7.507 7.605 1.00 0.00 C ATOM 1412 O GLY A 102 4.562 7.864 6.555 1.00 0.00 O ATOM 0 H GLY A 102 1.165 6.371 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.154 8.385 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.511 8.503 8.750 1.00 0.00 H new ATOM 1416 N ALA A 103 4.645 6.808 8.552 1.00 0.00 N ATOM 1417 CA ALA A 103 6.073 6.445 8.543 1.00 0.00 C ATOM 1418 C ALA A 103 6.502 5.594 7.340 1.00 0.00 C ATOM 1419 O ALA A 103 6.208 4.410 7.238 1.00 0.00 O ATOM 1420 CB ALA A 103 6.405 5.716 9.854 1.00 0.00 C ATOM 0 H ALA A 103 4.155 6.463 9.377 1.00 0.00 H new ATOM 0 HA ALA A 103 6.635 7.374 8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.460 5.441 9.861 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.196 6.373 10.698 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.795 4.816 9.934 1.00 0.00 H new ATOM 1426 N VAL A 104 7.115 6.275 6.372 1.00 0.00 N ATOM 1427 CA VAL A 104 7.749 5.583 5.240 1.00 0.00 C ATOM 1428 C VAL A 104 9.289 5.746 5.149 1.00 0.00 C ATOM 1429 O VAL A 104 9.770 6.634 4.442 1.00 0.00 O ATOM 1430 CB VAL A 104 6.960 5.815 3.940 1.00 0.00 C ATOM 1431 CG1 VAL A 104 6.884 7.285 3.490 1.00 0.00 C ATOM 1432 CG2 VAL A 104 7.492 4.924 2.808 1.00 0.00 C ATOM 0 H VAL A 104 7.188 7.292 6.344 1.00 0.00 H new ATOM 0 HA VAL A 104 7.677 4.513 5.437 1.00 0.00 H new ATOM 0 HB VAL A 104 5.934 5.531 4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.310 7.353 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.398 7.878 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.891 7.666 3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.917 5.107 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.542 5.155 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.395 3.876 3.093 1.00 0.00 H new ATOM 1442 N PRO A 105 10.045 4.967 5.946 1.00 0.00 N ATOM 1443 CA PRO A 105 11.515 4.891 5.792 1.00 0.00 C ATOM 1444 C PRO A 105 12.014 3.531 5.262 1.00 0.00 C ATOM 1445 O PRO A 105 13.159 3.154 5.498 1.00 0.00 O ATOM 1446 CB PRO A 105 12.026 5.165 7.207 1.00 0.00 C ATOM 1447 CG PRO A 105 11.008 4.470 8.091 1.00 0.00 C ATOM 1448 CD PRO A 105 9.686 4.632 7.342 1.00 0.00 C ATOM 0 HA PRO A 105 11.880 5.598 5.047 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.028 4.764 7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.076 6.234 7.416 1.00 0.00 H new ATOM 0 HG2 PRO A 105 11.258 3.419 8.235 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.963 4.925 9.080 1.00 0.00 H new ATOM 0 HD2 PRO A 105 9.099 3.715 7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 105 9.079 5.420 7.788 1.00 0.00 H new ATOM 1456 N LYS A 106 11.109 2.778 4.616 1.00 0.00 N ATOM 1457 CA LYS A 106 11.314 1.446 4.014 1.00 0.00 C ATOM 1458 C LYS A 106 11.424 0.326 5.060 1.00 0.00 C ATOM 1459 O LYS A 106 10.529 -0.510 5.170 1.00 0.00 O ATOM 1460 CB LYS A 106 12.512 1.473 3.050 1.00 0.00 C ATOM 1461 CG LYS A 106 12.900 0.085 2.544 1.00 0.00 C ATOM 1462 CD LYS A 106 12.341 -0.106 1.157 1.00 0.00 C ATOM 1463 CE LYS A 106 12.795 -1.469 0.694 1.00 0.00 C ATOM 1464 NZ LYS A 106 12.535 -1.388 -0.727 1.00 0.00 N ATOM 0 H LYS A 106 10.150 3.103 4.491 1.00 0.00 H new ATOM 0 HA LYS A 106 10.422 1.207 3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.273 2.110 2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.367 1.922 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.985 -0.021 2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.513 -0.682 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.253 -0.042 1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.701 0.672 0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.849 -1.646 0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.233 -2.273 1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.845 -2.118 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 12.153 -0.449 -0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.421 -1.539 -1.251 1.00 0.00 H new ATOM 1478 N SER A 107 12.360 0.505 5.969 1.00 0.00 N ATOM 1479 CA SER A 107 12.698 -0.434 7.056 1.00 0.00 C ATOM 1480 C SER A 107 11.532 -0.916 7.920 1.00 0.00 C ATOM 1481 O SER A 107 11.295 -2.119 8.044 1.00 0.00 O ATOM 1482 CB SER A 107 13.782 0.230 7.928 1.00 0.00 C ATOM 1483 OG SER A 107 13.363 1.556 8.281 1.00 0.00 O ATOM 0 H SER A 107 12.941 1.343 5.984 1.00 0.00 H new ATOM 0 HA SER A 107 13.049 -1.348 6.577 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.953 -0.361 8.828 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.727 0.267 7.387 1.00 0.00 H new ATOM 0 HG SER A 107 14.050 1.979 8.837 1.00 0.00 H new ATOM 1489 N THR A 108 10.773 0.023 8.467 1.00 0.00 N ATOM 1490 CA THR A 108 9.568 -0.225 9.292 1.00 0.00 C ATOM 1491 C THR A 108 8.474 -1.023 8.564 1.00 0.00 C ATOM 1492 O THR A 108 7.927 -2.003 9.063 1.00 0.00 O ATOM 1493 CB THR A 108 9.036 1.167 9.695 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.152 1.980 10.079 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.966 1.094 10.783 1.00 0.00 C ATOM 0 H THR A 108 10.974 1.016 8.353 1.00 0.00 H new ATOM 0 HA THR A 108 9.839 -0.839 10.151 1.00 0.00 H new ATOM 0 HB THR A 108 8.534 1.621 8.841 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.835 2.870 10.337 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.627 2.101 11.028 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.122 0.504 10.425 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.384 0.625 11.674 1.00 0.00 H new ATOM 1503 N LEU A 109 8.310 -0.632 7.316 1.00 0.00 N ATOM 1504 CA LEU A 109 7.410 -1.254 6.325 1.00 0.00 C ATOM 1505 C LEU A 109 7.809 -2.718 6.125 1.00 0.00 C ATOM 1506 O LEU A 109 7.043 -3.575 6.554 1.00 0.00 O ATOM 1507 CB LEU A 109 7.452 -0.491 4.990 1.00 0.00 C ATOM 1508 CG LEU A 109 6.865 0.915 5.127 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.867 1.912 5.711 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.398 1.449 3.772 1.00 0.00 C ATOM 0 H LEU A 109 8.818 0.165 6.932 1.00 0.00 H new ATOM 0 HA LEU A 109 6.387 -1.209 6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.482 -0.423 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.896 -1.046 4.235 1.00 0.00 H new ATOM 0 HG LEU A 109 6.021 0.821 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.401 2.894 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.176 1.579 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.739 1.974 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.985 2.450 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.244 1.489 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.632 0.789 3.365 1.00 0.00 H new ATOM 1522 N THR A 110 9.122 -2.941 5.950 1.00 0.00 N ATOM 1523 CA THR A 110 9.674 -4.298 5.764 1.00 0.00 C ATOM 1524 C THR A 110 9.439 -5.163 7.004 1.00 0.00 C ATOM 1525 O THR A 110 8.823 -6.230 6.964 1.00 0.00 O ATOM 1526 CB THR A 110 11.155 -4.338 5.415 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.498 -3.304 4.490 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.404 -5.704 4.765 1.00 0.00 C ATOM 0 H THR A 110 9.823 -2.200 5.933 1.00 0.00 H new ATOM 0 HA THR A 110 9.133 -4.695 4.905 1.00 0.00 H new ATOM 0 HB THR A 110 11.761 -4.188 6.309 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.766 -3.704 3.637 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.456 -5.791 4.492 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.146 -6.495 5.469 1.00 0.00 H new ATOM 0 HG23 THR A 110 10.788 -5.799 3.871 1.00 0.00 H new ATOM 1536 N ASP A 111 9.862 -4.576 8.120 1.00 0.00 N ATOM 1537 CA ASP A 111 9.715 -5.102 9.485 1.00 0.00 C ATOM 1538 C ASP A 111 8.310 -5.694 9.712 1.00 0.00 C ATOM 1539 O ASP A 111 8.180 -6.916 9.866 1.00 0.00 O ATOM 1540 CB ASP A 111 9.978 -3.910 10.403 1.00 0.00 C ATOM 1541 CG ASP A 111 10.069 -4.297 11.876 1.00 0.00 C ATOM 1542 OD1 ASP A 111 8.981 -4.525 12.455 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.210 -4.342 12.387 1.00 0.00 O ATOM 0 H ASP A 111 10.341 -3.676 8.102 1.00 0.00 H new ATOM 0 HA ASP A 111 10.408 -5.920 9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.907 -3.426 10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.181 -3.177 10.275 1.00 0.00 H new ATOM 1549 N SER A 112 7.303 -4.888 9.390 1.00 0.00 N ATOM 1550 CA SER A 112 5.890 -5.249 9.568 1.00 0.00 C ATOM 1551 C SER A 112 5.284 -6.379 8.714 1.00 0.00 C ATOM 1552 O SER A 112 4.176 -6.818 9.022 1.00 0.00 O ATOM 1553 CB SER A 112 4.993 -4.027 9.539 1.00 0.00 C ATOM 1554 OG SER A 112 4.963 -3.388 8.268 1.00 0.00 O ATOM 0 H SER A 112 7.440 -3.958 8.995 1.00 0.00 H new ATOM 0 HA SER A 112 5.923 -5.703 10.559 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.980 -4.320 9.816 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.335 -3.314 10.290 1.00 0.00 H new ATOM 0 HG SER A 112 4.104 -3.568 7.832 1.00 0.00 H new ATOM 1560 N ILE A 113 5.961 -6.760 7.632 1.00 0.00 N ATOM 1561 CA ILE A 113 5.581 -7.980 6.897 1.00 0.00 C ATOM 1562 C ILE A 113 6.394 -9.192 7.368 1.00 0.00 C ATOM 1563 O ILE A 113 5.855 -10.234 7.711 1.00 0.00 O ATOM 1564 CB ILE A 113 5.707 -8.109 5.377 1.00 0.00 C ATOM 1565 CG1 ILE A 113 6.804 -7.266 4.732 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.344 -8.069 4.722 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.447 -5.791 4.628 1.00 0.00 C ATOM 0 H ILE A 113 6.760 -6.258 7.245 1.00 0.00 H new ATOM 0 HA ILE A 113 4.517 -7.923 7.126 1.00 0.00 H new ATOM 0 HB ILE A 113 6.104 -9.103 5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.721 -7.371 5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.011 -7.654 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.457 -8.162 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.736 -8.893 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.856 -7.123 4.956 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.270 -5.250 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.547 -5.676 4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.268 -5.389 5.625 1.00 0.00 H new ATOM 1579 N GLU A 114 7.695 -8.962 7.334 1.00 0.00 N ATOM 1580 CA GLU A 114 8.730 -9.998 7.520 1.00 0.00 C ATOM 1581 C GLU A 114 8.683 -10.748 8.853 1.00 0.00 C ATOM 1582 O GLU A 114 9.170 -11.859 9.007 1.00 0.00 O ATOM 1583 CB GLU A 114 10.104 -9.443 7.157 1.00 0.00 C ATOM 1584 CG GLU A 114 10.041 -9.203 5.646 1.00 0.00 C ATOM 1585 CD GLU A 114 11.450 -9.182 5.037 1.00 0.00 C ATOM 1586 OE1 GLU A 114 11.610 -9.779 3.951 1.00 0.00 O ATOM 1587 OE2 GLU A 114 12.326 -8.516 5.637 1.00 0.00 O ATOM 0 H GLU A 114 8.084 -8.033 7.173 1.00 0.00 H new ATOM 0 HA GLU A 114 8.496 -10.797 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.313 -8.519 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.896 -10.147 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.448 -9.986 5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.539 -8.257 5.444 1.00 0.00 H new ATOM 1595 N LYS A 115 8.108 -10.020 9.808 1.00 0.00 N ATOM 1596 CA LYS A 115 7.478 -10.515 11.034 1.00 0.00 C ATOM 1597 C LYS A 115 6.790 -11.898 10.872 1.00 0.00 C ATOM 1598 O LYS A 115 6.926 -12.775 11.723 1.00 0.00 O ATOM 1599 CB LYS A 115 6.464 -9.392 11.247 1.00 0.00 C ATOM 1600 CG LYS A 115 5.674 -9.450 12.552 1.00 0.00 C ATOM 1601 CD LYS A 115 4.716 -8.263 12.646 1.00 0.00 C ATOM 1602 CE LYS A 115 5.428 -6.935 12.968 1.00 0.00 C ATOM 1603 NZ LYS A 115 6.057 -7.031 14.294 1.00 0.00 N ATOM 0 H LYS A 115 8.066 -9.003 9.744 1.00 0.00 H new ATOM 0 HA LYS A 115 8.170 -10.702 11.855 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.991 -8.439 11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.758 -9.402 10.416 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.113 -10.383 12.604 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.359 -9.441 13.400 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.180 -8.161 11.703 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.971 -8.465 13.416 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.181 -6.720 12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.713 -6.112 12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.764 -6.221 14.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.761 -7.915 14.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.092 -7.025 14.189 1.00 0.00 H new ATOM 1617 N TYR A 116 6.069 -12.064 9.762 1.00 0.00 N ATOM 1618 CA TYR A 116 5.309 -13.279 9.385 1.00 0.00 C ATOM 1619 C TYR A 116 5.603 -13.833 7.985 1.00 0.00 C ATOM 1620 O TYR A 116 5.895 -15.014 7.807 1.00 0.00 O ATOM 1621 CB TYR A 116 3.786 -13.075 9.578 1.00 0.00 C ATOM 1622 CG TYR A 116 3.208 -11.764 9.014 1.00 0.00 C ATOM 1623 CD1 TYR A 116 2.889 -11.657 7.644 1.00 0.00 C ATOM 1624 CD2 TYR A 116 3.135 -10.660 9.894 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.562 -10.390 7.114 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.790 -9.408 9.372 1.00 0.00 C ATOM 1627 CZ TYR A 116 2.539 -9.287 7.994 1.00 0.00 C ATOM 1628 OH TYR A 116 2.400 -8.036 7.494 1.00 0.00 O ATOM 0 H TYR A 116 5.989 -11.326 9.062 1.00 0.00 H new ATOM 0 HA TYR A 116 5.669 -14.042 10.075 1.00 0.00 H new ATOM 0 HB2 TYR A 116 3.265 -13.910 9.111 1.00 0.00 H new ATOM 0 HB3 TYR A 116 3.565 -13.118 10.645 1.00 0.00 H new ATOM 0 HD1 TYR A 116 2.895 -12.531 7.010 1.00 0.00 H new ATOM 0 HD2 TYR A 116 3.341 -10.780 10.947 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.336 -10.268 6.065 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.718 -8.546 10.019 1.00 0.00 H new ATOM 0 HH TYR A 116 2.758 -7.386 8.134 1.00 0.00 H new ATOM 1638 N LEU A 117 5.596 -12.941 6.991 1.00 0.00 N ATOM 1639 CA LEU A 117 5.807 -13.285 5.573 1.00 0.00 C ATOM 1640 C LEU A 117 7.172 -12.750 5.143 1.00 0.00 C ATOM 1641 O LEU A 117 7.407 -11.552 4.995 1.00 0.00 O ATOM 1642 CB LEU A 117 4.664 -12.698 4.747 1.00 0.00 C ATOM 1643 CG LEU A 117 4.904 -12.823 3.241 1.00 0.00 C ATOM 1644 CD1 LEU A 117 3.836 -13.702 2.586 1.00 0.00 C ATOM 1645 CD2 LEU A 117 4.941 -11.423 2.647 1.00 0.00 C ATOM 0 H LEU A 117 5.442 -11.945 7.145 1.00 0.00 H new ATOM 0 HA LEU A 117 5.805 -14.364 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.735 -13.205 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.536 -11.647 5.005 1.00 0.00 H new ATOM 0 HG LEU A 117 5.858 -13.314 3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.030 -13.774 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.864 -14.698 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 117 2.852 -13.261 2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.111 -11.488 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.991 -10.923 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.748 -10.853 3.108 1.00 0.00 H new