USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 807 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 83 ASN : amide:sc= -2.44! C(o=-1.8!,f=-14!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.615 USER MOD Set 2.1: A 78 SER OG : rot -93:sc= 0.179 USER MOD Set 2.2: A 79 ASN :FLIP amide:sc= -0.28 F(o=-2.8,f=-0.1) USER MOD Set 3.1: A 73 SER OG : rot 38:sc= -1.8! USER MOD Set 3.2: A 82 HIS : no HD1:sc= -2.43! C(o=-4.2!,f=-7.9!) USER MOD Set 4.1: A 9 CYS SG : rot 149:sc= -16.3! USER MOD Set 4.2: A 49 CYS SG : rot 122:sc= -12.9! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.334 F(o=-1.1,f=-0.33) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -120:sc= -0.883! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 33 TYR OH : rot -71:sc= -2.61! USER MOD Single : A 34 SER OG : rot -56:sc= 0.37 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.06 F(o=-1.6,f=-1.1) USER MOD Single : A 37 SER OG : rot 40:sc= 0.0919 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -7.82! C(o=-10!,f=-7.8!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -17:sc= -3.5! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -60:sc= 0.993 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 179:sc= -3.11 (180deg=-3.13) USER MOD Single : A 60 ASN : amide:sc= -1.71 K(o=-1.7,f=-4.2!) USER MOD Single : A 68 SER OG : rot -110:sc= -3! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.2) USER MOD Single : A 76 SER OG : rot 52:sc= 0.347 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.631 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 73:sc= 1.33 USER MOD Single : A 97 TYR OH : rot -117:sc= -3.91 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -4.91! C(o=-4.9!,f=-8.5!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 85:sc=0.000688 USER MOD Single : A 108 ASN : amide:sc=-0.00148 X(o=-0.0015,f=-0.0063) USER MOD Single : A 109 SER OG : rot -140:sc= -0.142 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.972 USER MOD Single : A 125 GLN : amide:sc= -0.0751 X(o=-0.075,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 33.990 -5.259 -1.161 1.00 0.00 N ATOM 2 CA ARG A 7 33.159 -5.442 -2.345 1.00 0.00 C ATOM 3 C ARG A 7 31.712 -5.050 -2.066 1.00 0.00 C ATOM 4 O ARG A 7 31.253 -5.113 -0.926 1.00 0.00 O ATOM 5 CB ARG A 7 33.220 -6.897 -2.815 1.00 0.00 C ATOM 6 CG ARG A 7 34.453 -7.217 -3.644 1.00 0.00 C ATOM 7 CD ARG A 7 35.096 -8.522 -3.205 1.00 0.00 C ATOM 8 NE ARG A 7 36.473 -8.638 -3.674 1.00 0.00 N ATOM 9 CZ ARG A 7 36.803 -9.024 -4.902 1.00 0.00 C ATOM 10 NH1 ARG A 7 35.857 -9.332 -5.780 1.00 0.00 N ATOM 11 NH2 ARG A 7 38.078 -9.104 -5.255 1.00 0.00 N ATOM 0 HA ARG A 7 33.546 -4.793 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 7 33.197 -7.553 -1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 7 32.329 -7.118 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 7 34.178 -7.282 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 7 35.175 -6.406 -3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 7 35.077 -8.588 -2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 7 34.512 -9.360 -3.585 1.00 0.00 H new ATOM 0 HE ARG A 7 37.224 -8.410 -3.023 1.00 0.00 H new ATOM 0 HH11 ARG A 7 34.874 -9.273 -5.513 1.00 0.00 H new ATOM 0 HH12 ARG A 7 36.112 -9.628 -6.722 1.00 0.00 H new ATOM 0 HH21 ARG A 7 38.809 -8.869 -4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 7 38.328 -9.401 -6.198 1.00 0.00 H new ATOM 25 N ARG A 8 31.004 -4.639 -3.115 1.00 0.00 N ATOM 26 CA ARG A 8 29.607 -4.270 -3.004 1.00 0.00 C ATOM 27 C ARG A 8 29.365 -3.317 -1.837 1.00 0.00 C ATOM 28 O ARG A 8 30.296 -2.914 -1.139 1.00 0.00 O ATOM 29 CB ARG A 8 28.759 -5.527 -2.840 1.00 0.00 C ATOM 30 CG ARG A 8 29.276 -6.730 -3.614 1.00 0.00 C ATOM 31 CD ARG A 8 28.151 -7.447 -4.342 1.00 0.00 C ATOM 32 NE ARG A 8 27.962 -8.810 -3.853 1.00 0.00 N ATOM 33 CZ ARG A 8 27.089 -9.666 -4.375 1.00 0.00 C ATOM 34 NH1 ARG A 8 26.330 -9.299 -5.399 1.00 0.00 N ATOM 35 NH2 ARG A 8 26.975 -10.888 -3.874 1.00 0.00 N ATOM 0 H ARG A 8 31.385 -4.555 -4.057 1.00 0.00 H new ATOM 0 HA ARG A 8 29.321 -3.749 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.709 -5.783 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.741 -5.310 -3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 8 30.028 -6.406 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.767 -7.421 -2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.224 -6.886 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 8 28.369 -7.472 -5.410 1.00 0.00 H new ATOM 0 HE ARG A 8 28.532 -9.123 -3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 8 26.416 -8.359 -5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 8 25.660 -9.956 -5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 8 27.558 -11.173 -3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 8 26.305 -11.543 -4.276 1.00 0.00 H new ATOM 49 N CYS A 9 28.106 -2.941 -1.652 1.00 0.00 N ATOM 50 CA CYS A 9 27.717 -2.045 -0.572 1.00 0.00 C ATOM 51 C CYS A 9 27.168 -2.856 0.595 1.00 0.00 C ATOM 52 O CYS A 9 26.803 -4.020 0.429 1.00 0.00 O ATOM 53 CB CYS A 9 26.651 -1.048 -1.049 1.00 0.00 C ATOM 54 SG CYS A 9 26.600 -0.758 -2.856 1.00 0.00 S ATOM 0 H CYS A 9 27.332 -3.246 -2.242 1.00 0.00 H new ATOM 0 HA CYS A 9 28.597 -1.488 -0.252 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.673 -1.406 -0.728 1.00 0.00 H new ATOM 0 HB3 CYS A 9 26.821 -0.094 -0.550 1.00 0.00 H new ATOM 0 HG CYS A 9 25.382 -0.480 -3.217 1.00 0.00 H new ATOM 59 N PRO A 10 27.083 -2.257 1.791 1.00 0.00 N ATOM 60 CA PRO A 10 26.565 -2.949 2.971 1.00 0.00 C ATOM 61 C PRO A 10 25.081 -3.265 2.837 1.00 0.00 C ATOM 62 O PRO A 10 24.422 -2.812 1.901 1.00 0.00 O ATOM 63 CB PRO A 10 26.811 -1.964 4.113 1.00 0.00 C ATOM 64 CG PRO A 10 26.897 -0.634 3.454 1.00 0.00 C ATOM 65 CD PRO A 10 27.490 -0.875 2.093 1.00 0.00 C ATOM 0 HA PRO A 10 27.051 -3.912 3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 10 26.001 -1.993 4.842 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.730 -2.201 4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.911 -0.176 3.373 1.00 0.00 H new ATOM 0 HG3 PRO A 10 27.519 0.048 4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 10 27.105 -0.171 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 10 28.575 -0.767 2.101 1.00 0.00 H new ATOM 73 N SER A 11 24.564 -4.060 3.764 1.00 0.00 N ATOM 74 CA SER A 11 23.160 -4.448 3.738 1.00 0.00 C ATOM 75 C SER A 11 22.259 -3.223 3.605 1.00 0.00 C ATOM 76 O SER A 11 22.068 -2.482 4.569 1.00 0.00 O ATOM 77 CB SER A 11 22.801 -5.222 5.008 1.00 0.00 C ATOM 78 OG SER A 11 21.398 -5.368 5.138 1.00 0.00 O ATOM 0 H SER A 11 25.095 -4.449 4.543 1.00 0.00 H new ATOM 0 HA SER A 11 23.002 -5.089 2.871 1.00 0.00 H new ATOM 0 HB2 SER A 11 23.271 -6.205 4.983 1.00 0.00 H new ATOM 0 HB3 SER A 11 23.198 -4.701 5.879 1.00 0.00 H new ATOM 0 HG SER A 11 21.196 -5.867 5.957 1.00 0.00 H new ATOM 84 N PRO A 12 21.692 -2.984 2.408 1.00 0.00 N ATOM 85 CA PRO A 12 20.810 -1.838 2.181 1.00 0.00 C ATOM 86 C PRO A 12 19.628 -1.835 3.144 1.00 0.00 C ATOM 87 O PRO A 12 19.156 -2.892 3.564 1.00 0.00 O ATOM 88 CB PRO A 12 20.331 -2.008 0.735 1.00 0.00 C ATOM 89 CG PRO A 12 20.662 -3.413 0.363 1.00 0.00 C ATOM 90 CD PRO A 12 21.849 -3.804 1.195 1.00 0.00 C ATOM 0 HA PRO A 12 21.325 -0.892 2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.260 -1.823 0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.828 -1.300 0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.818 -4.075 0.556 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.891 -3.490 -0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.846 -4.869 1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.788 -3.591 0.683 1.00 0.00 H new ATOM 98 N ARG A 13 19.174 -0.644 3.516 1.00 0.00 N ATOM 99 CA ARG A 13 18.050 -0.512 4.432 1.00 0.00 C ATOM 100 C ARG A 13 16.842 -1.256 3.896 1.00 0.00 C ATOM 101 O ARG A 13 16.866 -1.769 2.778 1.00 0.00 O ATOM 102 CB ARG A 13 17.703 0.962 4.648 1.00 0.00 C ATOM 103 CG ARG A 13 17.117 1.251 6.020 1.00 0.00 C ATOM 104 CD ARG A 13 18.011 2.180 6.823 1.00 0.00 C ATOM 105 NE ARG A 13 17.550 2.324 8.200 1.00 0.00 N ATOM 106 CZ ARG A 13 18.078 3.182 9.067 1.00 0.00 C ATOM 107 NH1 ARG A 13 17.603 3.254 10.302 1.00 0.00 N ATOM 108 NH2 ARG A 13 19.080 3.967 8.698 1.00 0.00 N ATOM 0 H ARG A 13 19.567 0.242 3.198 1.00 0.00 H new ATOM 0 HA ARG A 13 18.336 -0.947 5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.602 1.563 4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.991 1.275 3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.130 1.701 5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 13 16.981 0.316 6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.031 1.795 6.820 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.039 3.159 6.345 1.00 0.00 H new ATOM 0 HE ARG A 13 16.780 1.734 8.515 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.832 2.651 10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.009 3.913 10.967 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.447 3.913 7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.484 4.625 9.364 1.00 0.00 H new ATOM 122 N ASP A 14 15.787 -1.318 4.694 1.00 0.00 N ATOM 123 CA ASP A 14 14.578 -2.012 4.288 1.00 0.00 C ATOM 124 C ASP A 14 13.339 -1.167 4.554 1.00 0.00 C ATOM 125 O ASP A 14 13.437 0.012 4.895 1.00 0.00 O ATOM 126 CB ASP A 14 14.464 -3.347 5.022 1.00 0.00 C ATOM 127 CG ASP A 14 14.156 -4.500 4.087 1.00 0.00 C ATOM 128 OD1 ASP A 14 13.220 -4.367 3.270 1.00 0.00 O ATOM 129 OD2 ASP A 14 14.848 -5.536 4.172 1.00 0.00 O ATOM 0 H ASP A 14 15.745 -0.898 5.622 1.00 0.00 H new ATOM 0 HA ASP A 14 14.642 -2.194 3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.397 -3.549 5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.681 -3.277 5.777 1.00 0.00 H new ATOM 134 N ILE A 15 12.175 -1.781 4.387 1.00 0.00 N ATOM 135 CA ILE A 15 10.907 -1.099 4.605 1.00 0.00 C ATOM 136 C ILE A 15 9.881 -2.053 5.209 1.00 0.00 C ATOM 137 O ILE A 15 9.877 -3.246 4.906 1.00 0.00 O ATOM 138 CB ILE A 15 10.350 -0.516 3.293 1.00 0.00 C ATOM 139 CG1 ILE A 15 9.052 0.250 3.554 1.00 0.00 C ATOM 140 CG2 ILE A 15 10.120 -1.624 2.279 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.834 1.409 2.607 1.00 0.00 C ATOM 0 H ILE A 15 12.083 -2.755 4.100 1.00 0.00 H new ATOM 0 HA ILE A 15 11.094 -0.280 5.299 1.00 0.00 H new ATOM 0 HB ILE A 15 11.083 0.181 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.211 -0.438 3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.060 0.624 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.726 -1.197 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.063 -2.129 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.405 -2.342 2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.895 1.906 2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.656 2.118 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.794 1.039 1.582 1.00 0.00 H new ATOM 153 N ASP A 16 9.026 -1.526 6.077 1.00 0.00 N ATOM 154 CA ASP A 16 8.013 -2.340 6.738 1.00 0.00 C ATOM 155 C ASP A 16 6.808 -2.566 5.832 1.00 0.00 C ATOM 156 O ASP A 16 6.455 -3.705 5.528 1.00 0.00 O ATOM 157 CB ASP A 16 7.566 -1.677 8.043 1.00 0.00 C ATOM 158 CG ASP A 16 6.658 -2.572 8.863 1.00 0.00 C ATOM 159 OD1 ASP A 16 5.966 -3.423 8.265 1.00 0.00 O ATOM 160 OD2 ASP A 16 6.640 -2.423 10.103 1.00 0.00 O ATOM 0 H ASP A 16 9.014 -0.540 6.339 1.00 0.00 H new ATOM 0 HA ASP A 16 8.459 -3.309 6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.444 -1.415 8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.046 -0.747 7.815 1.00 0.00 H new ATOM 165 N ASN A 17 6.178 -1.477 5.407 1.00 0.00 N ATOM 166 CA ASN A 17 5.005 -1.562 4.543 1.00 0.00 C ATOM 167 C ASN A 17 5.403 -1.455 3.076 1.00 0.00 C ATOM 168 O ASN A 17 4.702 -0.837 2.275 1.00 0.00 O ATOM 169 CB ASN A 17 3.994 -0.463 4.893 1.00 0.00 C ATOM 170 CG ASN A 17 3.989 -0.120 6.371 1.00 0.00 C ATOM 171 OD1 ASN A 17 4.234 -1.120 7.212 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 3.780 1.031 6.752 1.00 0.00 N flip ATOM 0 H ASN A 17 6.459 -0.526 5.646 1.00 0.00 H new ATOM 0 HA ASN A 17 4.538 -2.533 4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.224 0.433 4.317 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.996 -0.785 4.596 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.596 1.768 6.071 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.791 1.248 7.749 1.00 0.00 H new ATOM 179 N GLY A 18 6.531 -2.065 2.732 1.00 0.00 N ATOM 180 CA GLY A 18 7.007 -2.024 1.362 1.00 0.00 C ATOM 181 C GLY A 18 7.967 -3.152 1.035 1.00 0.00 C ATOM 182 O GLY A 18 8.246 -4.007 1.876 1.00 0.00 O ATOM 0 H GLY A 18 7.124 -2.587 3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.154 -2.072 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.502 -1.069 1.183 1.00 0.00 H new ATOM 186 N GLN A 19 8.477 -3.148 -0.194 1.00 0.00 N ATOM 187 CA GLN A 19 9.420 -4.166 -0.645 1.00 0.00 C ATOM 188 C GLN A 19 10.545 -3.525 -1.451 1.00 0.00 C ATOM 189 O GLN A 19 10.309 -2.606 -2.234 1.00 0.00 O ATOM 190 CB GLN A 19 8.708 -5.221 -1.498 1.00 0.00 C ATOM 191 CG GLN A 19 7.250 -5.438 -1.120 1.00 0.00 C ATOM 192 CD GLN A 19 6.808 -6.877 -1.301 1.00 0.00 C ATOM 193 OE1 GLN A 19 6.295 -7.253 -2.355 1.00 0.00 O ATOM 194 NE2 GLN A 19 7.002 -7.691 -0.270 1.00 0.00 N ATOM 0 H GLN A 19 8.251 -2.446 -0.899 1.00 0.00 H new ATOM 0 HA GLN A 19 9.843 -4.652 0.234 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.761 -4.924 -2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.241 -6.167 -1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.100 -5.144 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.620 -4.789 -1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.431 -7.337 0.585 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.722 -8.670 -0.333 1.00 0.00 H new ATOM 203 N LEU A 20 11.766 -4.012 -1.259 1.00 0.00 N ATOM 204 CA LEU A 20 12.919 -3.462 -1.955 1.00 0.00 C ATOM 205 C LEU A 20 13.118 -4.111 -3.318 1.00 0.00 C ATOM 206 O LEU A 20 12.725 -5.256 -3.540 1.00 0.00 O ATOM 207 CB LEU A 20 14.175 -3.655 -1.118 1.00 0.00 C ATOM 208 CG LEU A 20 14.010 -3.354 0.367 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.365 -3.335 1.043 1.00 0.00 C ATOM 210 CD2 LEU A 20 13.294 -2.029 0.566 1.00 0.00 C ATOM 0 H LEU A 20 11.981 -4.785 -0.629 1.00 0.00 H new ATOM 0 HA LEU A 20 12.732 -2.399 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.513 -4.685 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.962 -3.016 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 20 13.403 -4.138 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.239 -3.119 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.844 -4.307 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.988 -2.565 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.185 -1.831 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 20 13.874 -1.229 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.308 -2.075 0.103 1.00 0.00 H new ATOM 222 N ASP A 21 13.762 -3.376 -4.216 1.00 0.00 N ATOM 223 CA ASP A 21 14.075 -3.881 -5.544 1.00 0.00 C ATOM 224 C ASP A 21 15.573 -3.769 -5.794 1.00 0.00 C ATOM 225 O ASP A 21 16.027 -2.911 -6.551 1.00 0.00 O ATOM 226 CB ASP A 21 13.304 -3.108 -6.612 1.00 0.00 C ATOM 227 CG ASP A 21 13.035 -3.941 -7.849 1.00 0.00 C ATOM 228 OD1 ASP A 21 12.543 -3.378 -8.849 1.00 0.00 O ATOM 229 OD2 ASP A 21 13.319 -5.157 -7.818 1.00 0.00 O ATOM 0 H ASP A 21 14.079 -2.422 -4.045 1.00 0.00 H new ATOM 0 HA ASP A 21 13.777 -4.928 -5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.357 -2.765 -6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.869 -2.219 -6.892 1.00 0.00 H new ATOM 234 N ILE A 22 16.336 -4.612 -5.108 1.00 0.00 N ATOM 235 CA ILE A 22 17.788 -4.590 -5.209 1.00 0.00 C ATOM 236 C ILE A 22 18.274 -5.232 -6.501 1.00 0.00 C ATOM 237 O ILE A 22 18.276 -6.455 -6.642 1.00 0.00 O ATOM 238 CB ILE A 22 18.435 -5.302 -4.007 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.800 -4.778 -2.695 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.952 -5.125 -4.047 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.743 -4.065 -1.738 1.00 0.00 C ATOM 0 H ILE A 22 15.970 -5.322 -4.473 1.00 0.00 H new ATOM 0 HA ILE A 22 18.089 -3.542 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 22 18.245 -6.374 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.991 -4.095 -2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 22 17.350 -5.621 -2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 22 20.400 -5.632 -3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.344 -5.553 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 22 20.196 -4.063 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.190 -3.742 -0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 22 19.540 -4.745 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.175 -3.196 -2.233 1.00 0.00 H new ATOM 253 N GLY A 23 18.691 -4.390 -7.441 1.00 0.00 N ATOM 254 CA GLY A 23 19.209 -4.878 -8.703 1.00 0.00 C ATOM 255 C GLY A 23 20.700 -4.636 -8.839 1.00 0.00 C ATOM 256 O GLY A 23 21.357 -5.230 -9.694 1.00 0.00 O ATOM 0 H GLY A 23 18.679 -3.374 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 23 19.006 -5.945 -8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 23 18.686 -4.387 -9.523 1.00 0.00 H new ATOM 260 N GLY A 24 21.237 -3.762 -7.989 1.00 0.00 N ATOM 261 CA GLY A 24 22.655 -3.463 -8.025 1.00 0.00 C ATOM 262 C GLY A 24 23.154 -2.907 -6.708 1.00 0.00 C ATOM 263 O GLY A 24 22.806 -1.790 -6.324 1.00 0.00 O ATOM 0 H GLY A 24 20.712 -3.256 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 24 23.210 -4.369 -8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 24 22.853 -2.744 -8.820 1.00 0.00 H new ATOM 267 N VAL A 25 23.958 -3.696 -6.005 1.00 0.00 N ATOM 268 CA VAL A 25 24.495 -3.285 -4.714 1.00 0.00 C ATOM 269 C VAL A 25 26.002 -3.066 -4.779 1.00 0.00 C ATOM 270 O VAL A 25 26.743 -3.571 -3.939 1.00 0.00 O ATOM 271 CB VAL A 25 24.202 -4.327 -3.615 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.708 -4.458 -3.378 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.815 -5.674 -3.970 1.00 0.00 C ATOM 0 H VAL A 25 24.252 -4.624 -6.308 1.00 0.00 H new ATOM 0 HA VAL A 25 23.999 -2.347 -4.465 1.00 0.00 H new ATOM 0 HB VAL A 25 24.661 -3.980 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.527 -5.198 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.303 -3.495 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.220 -4.774 -4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.596 -6.393 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.394 -6.029 -4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.895 -5.567 -4.073 1.00 0.00 H new ATOM 283 N ASP A 26 26.454 -2.272 -5.742 1.00 0.00 N ATOM 284 CA ASP A 26 27.876 -1.968 -5.860 1.00 0.00 C ATOM 285 C ASP A 26 28.148 -0.508 -5.521 1.00 0.00 C ATOM 286 O ASP A 26 27.232 0.311 -5.473 1.00 0.00 O ATOM 287 CB ASP A 26 28.386 -2.277 -7.265 1.00 0.00 C ATOM 288 CG ASP A 26 29.897 -2.200 -7.364 1.00 0.00 C ATOM 289 OD1 ASP A 26 30.399 -1.688 -8.387 1.00 0.00 O ATOM 290 OD2 ASP A 26 30.578 -2.651 -6.419 1.00 0.00 O ATOM 0 H ASP A 26 25.864 -1.830 -6.447 1.00 0.00 H new ATOM 0 HA ASP A 26 28.409 -2.599 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.056 -3.274 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 26 27.943 -1.575 -7.972 1.00 0.00 H new ATOM 295 N PHE A 27 29.411 -0.197 -5.269 1.00 0.00 N ATOM 296 CA PHE A 27 29.807 1.161 -4.914 1.00 0.00 C ATOM 297 C PHE A 27 29.303 2.160 -5.944 1.00 0.00 C ATOM 298 O PHE A 27 29.945 2.391 -6.969 1.00 0.00 O ATOM 299 CB PHE A 27 31.330 1.265 -4.791 1.00 0.00 C ATOM 300 CG PHE A 27 31.830 2.644 -4.434 1.00 0.00 C ATOM 301 CD1 PHE A 27 33.172 2.959 -4.578 1.00 0.00 C ATOM 302 CD2 PHE A 27 30.967 3.621 -3.947 1.00 0.00 C ATOM 303 CE1 PHE A 27 33.644 4.216 -4.251 1.00 0.00 C ATOM 304 CE2 PHE A 27 31.436 4.880 -3.622 1.00 0.00 C ATOM 305 CZ PHE A 27 32.776 5.177 -3.773 1.00 0.00 C ATOM 0 H PHE A 27 30.181 -0.866 -5.303 1.00 0.00 H new ATOM 0 HA PHE A 27 29.358 1.398 -3.950 1.00 0.00 H new ATOM 0 HB2 PHE A 27 31.671 0.560 -4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 27 31.781 0.961 -5.735 1.00 0.00 H new ATOM 0 HD1 PHE A 27 33.858 2.212 -4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 27 29.919 3.393 -3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 27 34.692 4.447 -4.369 1.00 0.00 H new ATOM 0 HE2 PHE A 27 30.755 5.631 -3.250 1.00 0.00 H new ATOM 0 HZ PHE A 27 33.144 6.160 -3.518 1.00 0.00 H new ATOM 315 N GLY A 28 28.152 2.757 -5.661 1.00 0.00 N ATOM 316 CA GLY A 28 27.576 3.721 -6.576 1.00 0.00 C ATOM 317 C GLY A 28 26.426 3.138 -7.370 1.00 0.00 C ATOM 318 O GLY A 28 26.201 3.513 -8.521 1.00 0.00 O ATOM 0 H GLY A 28 27.608 2.590 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 28 27.226 4.588 -6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 28 28.346 4.075 -7.261 1.00 0.00 H new ATOM 322 N SER A 29 25.707 2.203 -6.758 1.00 0.00 N ATOM 323 CA SER A 29 24.563 1.572 -7.406 1.00 0.00 C ATOM 324 C SER A 29 23.269 2.208 -6.916 1.00 0.00 C ATOM 325 O SER A 29 23.280 3.336 -6.422 1.00 0.00 O ATOM 326 CB SER A 29 24.558 0.067 -7.130 1.00 0.00 C ATOM 327 OG SER A 29 25.817 -0.508 -7.432 1.00 0.00 O ATOM 0 H SER A 29 25.896 1.865 -5.814 1.00 0.00 H new ATOM 0 HA SER A 29 24.641 1.724 -8.483 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.313 -0.114 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.782 -0.413 -7.726 1.00 0.00 H new ATOM 0 HG SER A 29 25.706 -1.193 -8.124 1.00 0.00 H new ATOM 333 N SER A 30 22.152 1.497 -7.047 1.00 0.00 N ATOM 334 CA SER A 30 20.881 2.039 -6.595 1.00 0.00 C ATOM 335 C SER A 30 19.800 0.969 -6.492 1.00 0.00 C ATOM 336 O SER A 30 19.679 0.099 -7.355 1.00 0.00 O ATOM 337 CB SER A 30 20.417 3.156 -7.531 1.00 0.00 C ATOM 338 OG SER A 30 20.572 2.783 -8.889 1.00 0.00 O ATOM 0 H SER A 30 22.103 0.563 -7.454 1.00 0.00 H new ATOM 0 HA SER A 30 21.043 2.442 -5.595 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.371 3.390 -7.332 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.989 4.062 -7.332 1.00 0.00 H new ATOM 0 HG SER A 30 20.266 3.514 -9.466 1.00 0.00 H new ATOM 344 N ILE A 31 18.996 1.067 -5.437 1.00 0.00 N ATOM 345 CA ILE A 31 17.890 0.136 -5.211 1.00 0.00 C ATOM 346 C ILE A 31 16.562 0.807 -5.532 1.00 0.00 C ATOM 347 O ILE A 31 16.505 2.021 -5.720 1.00 0.00 O ATOM 348 CB ILE A 31 17.831 -0.369 -3.749 1.00 0.00 C ATOM 349 CG1 ILE A 31 19.188 -0.245 -3.061 1.00 0.00 C ATOM 350 CG2 ILE A 31 17.359 -1.807 -3.703 1.00 0.00 C ATOM 351 CD1 ILE A 31 19.189 -0.749 -1.636 1.00 0.00 C ATOM 0 H ILE A 31 19.089 1.786 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 31 18.066 -0.716 -5.868 1.00 0.00 H new ATOM 0 HB ILE A 31 17.119 0.258 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.930 -0.800 -3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 31 19.496 0.800 -3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 31 17.324 -2.145 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.364 -1.878 -4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 31 18.049 -2.435 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 31 20.185 -0.631 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 31 18.471 -0.177 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.912 -1.803 -1.623 1.00 0.00 H new ATOM 363 N THR A 32 15.488 0.025 -5.556 1.00 0.00 N ATOM 364 CA THR A 32 14.164 0.573 -5.823 1.00 0.00 C ATOM 365 C THR A 32 13.166 0.142 -4.755 1.00 0.00 C ATOM 366 O THR A 32 12.812 -1.033 -4.655 1.00 0.00 O ATOM 367 CB THR A 32 13.673 0.152 -7.208 1.00 0.00 C ATOM 368 OG1 THR A 32 14.703 -0.503 -7.928 1.00 0.00 O ATOM 369 CG2 THR A 32 13.196 1.316 -8.047 1.00 0.00 C ATOM 0 H THR A 32 15.508 -0.982 -5.395 1.00 0.00 H new ATOM 0 HA THR A 32 14.243 1.660 -5.797 1.00 0.00 H new ATOM 0 HB THR A 32 12.832 -0.517 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.369 -0.766 -8.811 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.861 0.951 -9.018 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.369 1.814 -7.541 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.014 2.023 -8.188 1.00 0.00 H new ATOM 377 N TYR A 33 12.718 1.107 -3.955 1.00 0.00 N ATOM 378 CA TYR A 33 11.765 0.835 -2.883 1.00 0.00 C ATOM 379 C TYR A 33 10.330 0.857 -3.400 1.00 0.00 C ATOM 380 O TYR A 33 10.008 1.590 -4.335 1.00 0.00 O ATOM 381 CB TYR A 33 11.925 1.862 -1.761 1.00 0.00 C ATOM 382 CG TYR A 33 12.968 1.483 -0.736 1.00 0.00 C ATOM 383 CD1 TYR A 33 14.321 1.534 -1.045 1.00 0.00 C ATOM 384 CD2 TYR A 33 12.601 1.075 0.539 1.00 0.00 C ATOM 385 CE1 TYR A 33 15.279 1.187 -0.111 1.00 0.00 C ATOM 386 CE2 TYR A 33 13.553 0.725 1.478 1.00 0.00 C ATOM 387 CZ TYR A 33 14.890 0.784 1.149 1.00 0.00 C ATOM 388 OH TYR A 33 15.842 0.439 2.081 1.00 0.00 O ATOM 0 H TYR A 33 13.000 2.084 -4.029 1.00 0.00 H new ATOM 0 HA TYR A 33 11.975 -0.162 -2.495 1.00 0.00 H new ATOM 0 HB2 TYR A 33 12.190 2.825 -2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.966 1.992 -1.260 1.00 0.00 H new ATOM 0 HD1 TYR A 33 14.630 1.850 -2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.554 1.030 0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 33 16.327 1.231 -0.367 1.00 0.00 H new ATOM 0 HE2 TYR A 33 13.251 0.407 2.465 1.00 0.00 H new ATOM 0 HH TYR A 33 16.257 -0.411 1.826 1.00 0.00 H new ATOM 398 N SER A 34 9.469 0.058 -2.776 1.00 0.00 N ATOM 399 CA SER A 34 8.064 -0.006 -3.166 1.00 0.00 C ATOM 400 C SER A 34 7.193 -0.412 -1.981 1.00 0.00 C ATOM 401 O SER A 34 7.700 -0.878 -0.963 1.00 0.00 O ATOM 402 CB SER A 34 7.878 -0.998 -4.317 1.00 0.00 C ATOM 403 OG SER A 34 7.750 -2.324 -3.834 1.00 0.00 O ATOM 0 H SER A 34 9.719 -0.554 -1.999 1.00 0.00 H new ATOM 0 HA SER A 34 7.756 0.985 -3.499 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.991 -0.730 -4.892 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.729 -0.936 -4.996 1.00 0.00 H new ATOM 0 HG SER A 34 8.532 -2.550 -3.288 1.00 0.00 H new ATOM 409 N CYS A 35 5.883 -0.226 -2.114 1.00 0.00 N ATOM 410 CA CYS A 35 4.952 -0.577 -1.048 1.00 0.00 C ATOM 411 C CYS A 35 4.565 -2.051 -1.126 1.00 0.00 C ATOM 412 O CYS A 35 4.862 -2.729 -2.110 1.00 0.00 O ATOM 413 CB CYS A 35 3.701 0.298 -1.127 1.00 0.00 C ATOM 414 SG CYS A 35 3.878 1.921 -0.319 1.00 0.00 S ATOM 0 H CYS A 35 5.444 0.165 -2.947 1.00 0.00 H new ATOM 0 HA CYS A 35 5.448 -0.402 -0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.444 0.452 -2.175 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.868 -0.235 -0.669 1.00 0.00 H new ATOM 419 N ASN A 36 3.915 -2.544 -0.077 1.00 0.00 N ATOM 420 CA ASN A 36 3.500 -3.942 -0.023 1.00 0.00 C ATOM 421 C ASN A 36 2.442 -4.239 -1.080 1.00 0.00 C ATOM 422 O ASN A 36 2.754 -4.733 -2.163 1.00 0.00 O ATOM 423 CB ASN A 36 2.958 -4.278 1.367 1.00 0.00 C ATOM 424 CG ASN A 36 4.008 -4.905 2.263 1.00 0.00 C ATOM 425 OD1 ASN A 36 4.045 -4.476 3.519 1.00 0.00 O flip ATOM 426 ND2 ASN A 36 4.776 -5.765 1.832 1.00 0.00 N flip ATOM 0 H ASN A 36 3.664 -1.997 0.747 1.00 0.00 H new ATOM 0 HA ASN A 36 4.372 -4.563 -0.227 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.581 -3.369 1.836 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.114 -4.961 1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.712 -6.065 0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.477 -6.178 2.448 1.00 0.00 H new ATOM 433 N SER A 37 1.190 -3.937 -0.756 1.00 0.00 N ATOM 434 CA SER A 37 0.083 -4.164 -1.677 1.00 0.00 C ATOM 435 C SER A 37 -1.081 -3.237 -1.350 1.00 0.00 C ATOM 436 O SER A 37 -1.429 -3.051 -0.184 1.00 0.00 O ATOM 437 CB SER A 37 -0.374 -5.623 -1.615 1.00 0.00 C ATOM 438 OG SER A 37 0.183 -6.378 -2.677 1.00 0.00 O ATOM 0 H SER A 37 0.916 -3.533 0.140 1.00 0.00 H new ATOM 0 HA SER A 37 0.429 -3.948 -2.688 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.079 -6.059 -0.661 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.462 -5.669 -1.664 1.00 0.00 H new ATOM 0 HG SER A 37 1.115 -6.110 -2.815 1.00 0.00 H new ATOM 444 N GLY A 38 -1.673 -2.650 -2.383 1.00 0.00 N ATOM 445 CA GLY A 38 -2.771 -1.729 -2.172 1.00 0.00 C ATOM 446 C GLY A 38 -2.354 -0.547 -1.322 1.00 0.00 C ATOM 447 O GLY A 38 -3.165 0.026 -0.596 1.00 0.00 O ATOM 0 H GLY A 38 -1.413 -2.795 -3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.138 -1.374 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.597 -2.251 -1.689 1.00 0.00 H new ATOM 451 N TYR A 39 -1.076 -0.199 -1.404 1.00 0.00 N ATOM 452 CA TYR A 39 -0.527 0.906 -0.630 1.00 0.00 C ATOM 453 C TYR A 39 0.051 1.977 -1.545 1.00 0.00 C ATOM 454 O TYR A 39 0.164 1.779 -2.755 1.00 0.00 O ATOM 455 CB TYR A 39 0.587 0.392 0.287 1.00 0.00 C ATOM 456 CG TYR A 39 0.137 0.025 1.682 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.003 -0.738 1.894 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.877 0.421 2.787 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.401 -1.083 3.172 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.486 0.083 4.067 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.653 -0.670 4.255 1.00 0.00 C ATOM 462 OH TYR A 39 -1.047 -1.007 5.529 1.00 0.00 O ATOM 0 H TYR A 39 -0.397 -0.670 -2.003 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.335 1.338 -0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.044 -0.483 -0.175 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.361 1.156 0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.588 -1.067 1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.775 1.004 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.293 -1.673 3.322 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.069 0.407 4.916 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.410 -0.639 6.177 1.00 0.00 H new ATOM 472 N HIS A 40 0.452 3.099 -0.956 1.00 0.00 N ATOM 473 CA HIS A 40 1.114 4.153 -1.711 1.00 0.00 C ATOM 474 C HIS A 40 2.395 4.574 -1.008 1.00 0.00 C ATOM 475 O HIS A 40 2.418 4.761 0.208 1.00 0.00 O ATOM 476 CB HIS A 40 0.214 5.374 -1.934 1.00 0.00 C ATOM 477 CG HIS A 40 -0.952 5.494 -1.000 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.094 5.162 0.307 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -2.148 6.071 -1.375 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -2.365 5.521 0.680 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -2.977 6.073 -0.349 1.00 0.00 N flip ATOM 0 H HIS A 40 0.330 3.300 0.037 1.00 0.00 H new ATOM 0 HA HIS A 40 1.348 3.742 -2.693 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.823 6.274 -1.845 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.163 5.344 -2.956 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.371 6.461 -2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.795 5.375 1.660 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.929 6.439 -0.351 1.00 0.00 H new ATOM 490 N LEU A 41 3.465 4.686 -1.779 1.00 0.00 N ATOM 491 CA LEU A 41 4.760 5.067 -1.236 1.00 0.00 C ATOM 492 C LEU A 41 5.005 6.557 -1.428 1.00 0.00 C ATOM 493 O LEU A 41 4.995 7.058 -2.552 1.00 0.00 O ATOM 494 CB LEU A 41 5.871 4.258 -1.909 1.00 0.00 C ATOM 495 CG LEU A 41 7.292 4.674 -1.533 1.00 0.00 C ATOM 496 CD1 LEU A 41 8.251 3.506 -1.702 1.00 0.00 C ATOM 497 CD2 LEU A 41 7.734 5.861 -2.372 1.00 0.00 C ATOM 0 H LEU A 41 3.462 4.518 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 41 4.763 4.853 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.738 3.206 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.758 4.343 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 41 7.302 4.973 -0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.259 3.820 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.941 2.684 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.242 3.175 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.748 6.146 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.711 5.589 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.060 6.700 -2.198 1.00 0.00 H new ATOM 509 N ILE A 42 5.210 7.264 -0.323 1.00 0.00 N ATOM 510 CA ILE A 42 5.441 8.703 -0.376 1.00 0.00 C ATOM 511 C ILE A 42 6.926 9.023 -0.283 1.00 0.00 C ATOM 512 O ILE A 42 7.696 8.291 0.339 1.00 0.00 O ATOM 513 CB ILE A 42 4.693 9.458 0.745 1.00 0.00 C ATOM 514 CG1 ILE A 42 3.419 8.711 1.156 1.00 0.00 C ATOM 515 CG2 ILE A 42 4.353 10.867 0.287 1.00 0.00 C ATOM 516 CD1 ILE A 42 2.568 8.278 -0.018 1.00 0.00 C ATOM 0 H ILE A 42 5.221 6.867 0.616 1.00 0.00 H new ATOM 0 HA ILE A 42 5.052 9.039 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 42 5.347 9.514 1.615 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.695 7.832 1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.826 9.352 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.826 11.391 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.271 11.403 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.718 10.819 -0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.684 7.756 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.262 9.155 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.145 7.611 -0.659 1.00 0.00 H new ATOM 528 N GLY A 43 7.319 10.122 -0.913 1.00 0.00 N ATOM 529 CA GLY A 43 8.714 10.527 -0.903 1.00 0.00 C ATOM 530 C GLY A 43 9.508 9.882 -2.023 1.00 0.00 C ATOM 531 O GLY A 43 9.045 9.818 -3.162 1.00 0.00 O ATOM 0 H GLY A 43 6.697 10.742 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.776 11.611 -0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.160 10.262 0.055 1.00 0.00 H new ATOM 535 N GLU A 44 10.705 9.400 -1.701 1.00 0.00 N ATOM 536 CA GLU A 44 11.556 8.751 -2.689 1.00 0.00 C ATOM 537 C GLU A 44 11.187 7.282 -2.833 1.00 0.00 C ATOM 538 O GLU A 44 10.231 6.808 -2.221 1.00 0.00 O ATOM 539 CB GLU A 44 13.020 8.869 -2.279 1.00 0.00 C ATOM 540 CG GLU A 44 13.269 8.450 -0.845 1.00 0.00 C ATOM 541 CD GLU A 44 13.795 9.583 0.013 1.00 0.00 C ATOM 542 OE1 GLU A 44 13.528 9.576 1.233 1.00 0.00 O ATOM 543 OE2 GLU A 44 14.475 10.476 -0.534 1.00 0.00 O ATOM 0 H GLU A 44 11.106 9.447 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 44 11.406 9.248 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.628 8.254 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.347 9.900 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.341 8.074 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.983 7.627 -0.830 1.00 0.00 H new ATOM 550 N SER A 45 11.979 6.559 -3.614 1.00 0.00 N ATOM 551 CA SER A 45 11.733 5.153 -3.860 1.00 0.00 C ATOM 552 C SER A 45 12.988 4.445 -4.341 1.00 0.00 C ATOM 553 O SER A 45 12.906 3.403 -4.989 1.00 0.00 O ATOM 554 CB SER A 45 10.655 5.016 -4.920 1.00 0.00 C ATOM 555 OG SER A 45 10.838 5.961 -5.960 1.00 0.00 O ATOM 0 H SER A 45 12.802 6.931 -4.089 1.00 0.00 H new ATOM 0 HA SER A 45 11.416 4.694 -2.924 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.674 4.008 -5.334 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.674 5.156 -4.466 1.00 0.00 H new ATOM 0 HG SER A 45 10.132 5.850 -6.630 1.00 0.00 H new ATOM 561 N LYS A 46 14.146 5.016 -4.044 1.00 0.00 N ATOM 562 CA LYS A 46 15.402 4.439 -4.502 1.00 0.00 C ATOM 563 C LYS A 46 16.573 4.822 -3.598 1.00 0.00 C ATOM 564 O LYS A 46 16.842 6.002 -3.377 1.00 0.00 O ATOM 565 CB LYS A 46 15.687 4.909 -5.927 1.00 0.00 C ATOM 566 CG LYS A 46 15.160 3.983 -7.009 1.00 0.00 C ATOM 567 CD LYS A 46 14.613 4.768 -8.190 1.00 0.00 C ATOM 568 CE LYS A 46 15.668 4.959 -9.267 1.00 0.00 C ATOM 569 NZ LYS A 46 15.387 4.133 -10.473 1.00 0.00 N ATOM 0 H LYS A 46 14.243 5.869 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 46 15.299 3.354 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.248 5.897 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.764 5.018 -6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.959 3.323 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.376 3.348 -6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.754 4.245 -8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.259 5.741 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.712 6.011 -9.550 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.647 4.696 -8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.130 4.292 -11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.370 3.127 -10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.464 4.402 -10.871 1.00 0.00 H new ATOM 583 N SER A 47 17.289 3.809 -3.118 1.00 0.00 N ATOM 584 CA SER A 47 18.476 4.012 -2.288 1.00 0.00 C ATOM 585 C SER A 47 19.714 4.045 -3.166 1.00 0.00 C ATOM 586 O SER A 47 19.799 3.283 -4.122 1.00 0.00 O ATOM 587 CB SER A 47 18.607 2.869 -1.280 1.00 0.00 C ATOM 588 OG SER A 47 19.194 3.301 -0.070 1.00 0.00 O ATOM 0 H SER A 47 17.066 2.829 -3.291 1.00 0.00 H new ATOM 0 HA SER A 47 18.378 4.958 -1.755 1.00 0.00 H new ATOM 0 HB2 SER A 47 17.622 2.449 -1.076 1.00 0.00 H new ATOM 0 HB3 SER A 47 19.211 2.071 -1.712 1.00 0.00 H new ATOM 0 HG SER A 47 19.638 4.163 -0.211 1.00 0.00 H new ATOM 594 N TYR A 48 20.681 4.909 -2.857 1.00 0.00 N ATOM 595 CA TYR A 48 21.904 4.955 -3.675 1.00 0.00 C ATOM 596 C TYR A 48 23.137 4.714 -2.837 1.00 0.00 C ATOM 597 O TYR A 48 23.499 5.541 -2.003 1.00 0.00 O ATOM 598 CB TYR A 48 22.049 6.290 -4.407 1.00 0.00 C ATOM 599 CG TYR A 48 20.737 6.940 -4.729 1.00 0.00 C ATOM 600 CD1 TYR A 48 20.390 8.166 -4.185 1.00 0.00 C ATOM 601 CD2 TYR A 48 19.842 6.311 -5.570 1.00 0.00 C ATOM 602 CE1 TYR A 48 19.180 8.758 -4.481 1.00 0.00 C ATOM 603 CE2 TYR A 48 18.626 6.891 -5.874 1.00 0.00 C ATOM 604 CZ TYR A 48 18.298 8.116 -5.327 1.00 0.00 C ATOM 605 OH TYR A 48 17.089 8.700 -5.628 1.00 0.00 O ATOM 0 H TYR A 48 20.651 5.566 -2.077 1.00 0.00 H new ATOM 0 HA TYR A 48 21.810 4.158 -4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 48 22.641 6.969 -3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 48 22.603 6.130 -5.332 1.00 0.00 H new ATOM 0 HD1 TYR A 48 21.078 8.666 -3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 48 20.096 5.352 -5.996 1.00 0.00 H new ATOM 0 HE1 TYR A 48 18.924 9.717 -4.054 1.00 0.00 H new ATOM 0 HE2 TYR A 48 17.935 6.389 -6.536 1.00 0.00 H new ATOM 0 HH TYR A 48 16.588 8.119 -6.237 1.00 0.00 H new ATOM 615 N CYS A 49 23.816 3.603 -3.064 1.00 0.00 N ATOM 616 CA CYS A 49 24.996 3.334 -2.291 1.00 0.00 C ATOM 617 C CYS A 49 26.187 4.106 -2.815 1.00 0.00 C ATOM 618 O CYS A 49 26.616 3.931 -3.955 1.00 0.00 O ATOM 619 CB CYS A 49 25.323 1.856 -2.204 1.00 0.00 C ATOM 620 SG CYS A 49 25.071 0.845 -3.694 1.00 0.00 S ATOM 0 H CYS A 49 23.573 2.896 -3.758 1.00 0.00 H new ATOM 0 HA CYS A 49 24.774 3.673 -1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 49 26.367 1.761 -1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.723 1.426 -1.402 1.00 0.00 H new ATOM 0 HG CYS A 49 26.192 0.278 -4.028 1.00 0.00 H new ATOM 625 N GLU A 50 26.714 4.960 -1.956 1.00 0.00 N ATOM 626 CA GLU A 50 27.860 5.783 -2.300 1.00 0.00 C ATOM 627 C GLU A 50 28.897 5.762 -1.184 1.00 0.00 C ATOM 628 O GLU A 50 28.795 4.973 -0.244 1.00 0.00 O ATOM 629 CB GLU A 50 27.407 7.216 -2.577 1.00 0.00 C ATOM 630 CG GLU A 50 27.789 7.712 -3.961 1.00 0.00 C ATOM 631 CD GLU A 50 26.589 8.158 -4.772 1.00 0.00 C ATOM 632 OE1 GLU A 50 26.521 7.815 -5.971 1.00 0.00 O ATOM 633 OE2 GLU A 50 25.714 8.848 -4.207 1.00 0.00 O ATOM 0 H GLU A 50 26.364 5.102 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 50 28.322 5.375 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 50 26.325 7.275 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 50 27.843 7.878 -1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 50 28.487 8.543 -3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 50 28.310 6.918 -4.496 1.00 0.00 H new ATOM 640 N LEU A 51 29.899 6.624 -1.298 1.00 0.00 N ATOM 641 CA LEU A 51 30.960 6.693 -0.301 1.00 0.00 C ATOM 642 C LEU A 51 30.568 7.609 0.853 1.00 0.00 C ATOM 643 O LEU A 51 30.198 8.765 0.644 1.00 0.00 O ATOM 644 CB LEU A 51 32.257 7.185 -0.944 1.00 0.00 C ATOM 645 CG LEU A 51 32.166 8.552 -1.626 1.00 0.00 C ATOM 646 CD1 LEU A 51 31.933 8.389 -3.120 1.00 0.00 C ATOM 647 CD2 LEU A 51 33.427 9.359 -1.365 1.00 0.00 C ATOM 0 H LEU A 51 30.000 7.284 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 51 31.117 5.690 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 51 33.030 7.230 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 51 32.581 6.450 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 51 31.318 9.093 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 51 31.871 9.372 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 51 32.760 7.830 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 51 31.001 7.849 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 51 33.347 10.329 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 51 33.550 9.505 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 51 34.290 8.823 -1.759 1.00 0.00 H new ATOM 659 N GLY A 52 30.650 7.084 2.071 1.00 0.00 N ATOM 660 CA GLY A 52 30.294 7.866 3.242 1.00 0.00 C ATOM 661 C GLY A 52 31.489 8.559 3.867 1.00 0.00 C ATOM 662 O GLY A 52 31.511 9.784 3.987 1.00 0.00 O ATOM 0 H GLY A 52 30.956 6.131 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.551 8.613 2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.829 7.214 3.982 1.00 0.00 H new ATOM 666 N SER A 53 32.482 7.775 4.271 1.00 0.00 N ATOM 667 CA SER A 53 33.683 8.321 4.894 1.00 0.00 C ATOM 668 C SER A 53 34.740 8.655 3.847 1.00 0.00 C ATOM 669 O SER A 53 35.909 8.298 3.994 1.00 0.00 O ATOM 670 CB SER A 53 34.250 7.329 5.912 1.00 0.00 C ATOM 671 OG SER A 53 34.464 7.951 7.166 1.00 0.00 O ATOM 0 H SER A 53 32.480 6.759 4.179 1.00 0.00 H new ATOM 0 HA SER A 53 33.407 9.242 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 53 33.562 6.492 6.031 1.00 0.00 H new ATOM 0 HB3 SER A 53 35.189 6.919 5.541 1.00 0.00 H new ATOM 0 HG SER A 53 34.825 7.296 7.799 1.00 0.00 H new ATOM 677 N THR A 54 34.323 9.349 2.793 1.00 0.00 N ATOM 678 CA THR A 54 35.235 9.732 1.721 1.00 0.00 C ATOM 679 C THR A 54 35.887 8.502 1.100 1.00 0.00 C ATOM 680 O THR A 54 37.004 8.570 0.586 1.00 0.00 O ATOM 681 CB THR A 54 36.314 10.679 2.253 1.00 0.00 C ATOM 682 OG1 THR A 54 37.353 9.949 2.882 1.00 0.00 O ATOM 683 CG2 THR A 54 35.788 11.687 3.252 1.00 0.00 C ATOM 0 H THR A 54 33.360 9.658 2.658 1.00 0.00 H new ATOM 0 HA THR A 54 34.657 10.245 0.952 1.00 0.00 H new ATOM 0 HB THR A 54 36.682 11.219 1.380 1.00 0.00 H new ATOM 0 HG1 THR A 54 36.985 9.435 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 54 36.604 12.326 3.588 1.00 0.00 H new ATOM 0 HG22 THR A 54 35.019 12.299 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 54 35.362 11.163 4.107 1.00 0.00 H new ATOM 691 N GLY A 55 35.183 7.377 1.155 1.00 0.00 N ATOM 692 CA GLY A 55 35.707 6.144 0.598 1.00 0.00 C ATOM 693 C GLY A 55 34.967 4.924 1.109 1.00 0.00 C ATOM 694 O GLY A 55 34.877 3.909 0.418 1.00 0.00 O ATOM 0 H GLY A 55 34.257 7.297 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.637 6.180 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 55 36.765 6.056 0.847 1.00 0.00 H new ATOM 698 N SER A 56 34.433 5.027 2.321 1.00 0.00 N ATOM 699 CA SER A 56 33.687 3.930 2.924 1.00 0.00 C ATOM 700 C SER A 56 32.434 3.621 2.112 1.00 0.00 C ATOM 701 O SER A 56 32.315 4.032 0.958 1.00 0.00 O ATOM 702 CB SER A 56 33.303 4.278 4.363 1.00 0.00 C ATOM 703 OG SER A 56 33.409 3.145 5.208 1.00 0.00 O ATOM 0 H SER A 56 34.503 5.860 2.905 1.00 0.00 H new ATOM 0 HA SER A 56 34.325 3.046 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 56 33.950 5.073 4.733 1.00 0.00 H new ATOM 0 HB3 SER A 56 32.282 4.660 4.388 1.00 0.00 H new ATOM 0 HG SER A 56 33.160 3.394 6.122 1.00 0.00 H new ATOM 709 N MET A 57 31.500 2.898 2.721 1.00 0.00 N ATOM 710 CA MET A 57 30.260 2.544 2.053 1.00 0.00 C ATOM 711 C MET A 57 29.061 3.085 2.820 1.00 0.00 C ATOM 712 O MET A 57 29.063 3.138 4.049 1.00 0.00 O ATOM 713 CB MET A 57 30.151 1.027 1.908 1.00 0.00 C ATOM 714 CG MET A 57 31.393 0.386 1.313 1.00 0.00 C ATOM 715 SD MET A 57 31.241 0.092 -0.459 1.00 0.00 S ATOM 716 CE MET A 57 30.817 1.733 -1.039 1.00 0.00 C ATOM 0 H MET A 57 31.581 2.548 3.675 1.00 0.00 H new ATOM 0 HA MET A 57 30.266 2.994 1.060 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.959 0.589 2.887 1.00 0.00 H new ATOM 0 HB3 MET A 57 29.293 0.790 1.279 1.00 0.00 H new ATOM 0 HG2 MET A 57 32.253 1.029 1.498 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.587 -0.560 1.819 1.00 0.00 H new ATOM 0 HE1 MET A 57 30.707 1.718 -2.123 1.00 0.00 H new ATOM 0 HE2 MET A 57 29.879 2.049 -0.583 1.00 0.00 H new ATOM 0 HE3 MET A 57 31.607 2.432 -0.764 1.00 0.00 H new ATOM 726 N VAL A 58 28.048 3.499 2.077 1.00 0.00 N ATOM 727 CA VAL A 58 26.830 4.040 2.658 1.00 0.00 C ATOM 728 C VAL A 58 25.685 3.900 1.669 1.00 0.00 C ATOM 729 O VAL A 58 25.906 3.539 0.517 1.00 0.00 O ATOM 730 CB VAL A 58 26.994 5.522 3.039 1.00 0.00 C ATOM 731 CG1 VAL A 58 27.689 5.658 4.385 1.00 0.00 C ATOM 732 CG2 VAL A 58 27.765 6.260 1.959 1.00 0.00 C ATOM 0 H VAL A 58 28.046 3.470 1.057 1.00 0.00 H new ATOM 0 HA VAL A 58 26.614 3.476 3.566 1.00 0.00 H new ATOM 0 HB VAL A 58 26.004 5.969 3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 58 27.795 6.714 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 58 27.096 5.161 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 58 28.675 5.197 4.333 1.00 0.00 H new ATOM 0 HG21 VAL A 58 27.874 7.307 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 58 28.751 5.810 1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 58 27.224 6.193 1.015 1.00 0.00 H new ATOM 742 N TRP A 59 24.467 4.184 2.112 1.00 0.00 N ATOM 743 CA TRP A 59 23.306 4.068 1.239 1.00 0.00 C ATOM 744 C TRP A 59 22.430 5.320 1.298 1.00 0.00 C ATOM 745 O TRP A 59 21.920 5.688 2.355 1.00 0.00 O ATOM 746 CB TRP A 59 22.484 2.836 1.618 1.00 0.00 C ATOM 747 CG TRP A 59 23.029 1.547 1.070 1.00 0.00 C ATOM 748 CD1 TRP A 59 23.861 0.671 1.709 1.00 0.00 C ATOM 749 CD2 TRP A 59 22.739 0.962 -0.207 1.00 0.00 C ATOM 750 NE1 TRP A 59 24.122 -0.410 0.901 1.00 0.00 N ATOM 751 CE2 TRP A 59 23.446 -0.254 -0.279 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.977 1.359 -1.309 1.00 0.00 C ATOM 753 CZ2 TRP A 59 23.400 -1.077 -1.403 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.935 0.536 -2.420 1.00 0.00 C ATOM 755 CH2 TRP A 59 22.643 -0.663 -2.458 1.00 0.00 C ATOM 0 H TRP A 59 24.258 4.493 3.061 1.00 0.00 H new ATOM 0 HA TRP A 59 23.668 3.961 0.217 1.00 0.00 H new ATOM 0 HB2 TRP A 59 22.434 2.765 2.705 1.00 0.00 H new ATOM 0 HB3 TRP A 59 21.463 2.969 1.260 1.00 0.00 H new ATOM 0 HD1 TRP A 59 24.256 0.808 2.705 1.00 0.00 H new ATOM 0 HE1 TRP A 59 24.721 -1.199 1.141 1.00 0.00 H new ATOM 0 HE3 TRP A 59 21.431 2.291 -1.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.945 -2.009 -1.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 21.342 0.829 -3.274 1.00 0.00 H new ATOM 0 HH2 TRP A 59 22.591 -1.279 -3.344 1.00 0.00 H new ATOM 766 N ASN A 60 22.248 5.954 0.141 1.00 0.00 N ATOM 767 CA ASN A 60 21.417 7.149 0.028 1.00 0.00 C ATOM 768 C ASN A 60 19.950 6.788 0.221 1.00 0.00 C ATOM 769 O ASN A 60 19.613 5.612 0.221 1.00 0.00 O ATOM 770 CB ASN A 60 21.621 7.801 -1.336 1.00 0.00 C ATOM 771 CG ASN A 60 22.589 8.966 -1.281 1.00 0.00 C ATOM 772 OD1 ASN A 60 22.401 9.908 -0.511 1.00 0.00 O ATOM 773 ND2 ASN A 60 23.633 8.908 -2.099 1.00 0.00 N ATOM 0 H ASN A 60 22.670 5.656 -0.738 1.00 0.00 H new ATOM 0 HA ASN A 60 21.710 7.856 0.804 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.993 7.056 -2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 60 20.661 8.148 -1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.318 9.663 -2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 60 23.750 8.108 -2.721 1.00 0.00 H new ATOM 780 N PRO A 61 19.071 7.803 0.394 1.00 0.00 N ATOM 781 CA PRO A 61 17.637 7.642 0.626 1.00 0.00 C ATOM 782 C PRO A 61 17.077 6.291 0.196 1.00 0.00 C ATOM 783 O PRO A 61 16.730 6.089 -0.966 1.00 0.00 O ATOM 784 CB PRO A 61 17.063 8.777 -0.216 1.00 0.00 C ATOM 785 CG PRO A 61 18.140 9.829 -0.256 1.00 0.00 C ATOM 786 CD PRO A 61 19.391 9.228 0.348 1.00 0.00 C ATOM 0 HA PRO A 61 17.384 7.676 1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 61 16.812 8.434 -1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.147 9.169 0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.325 10.148 -1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.832 10.713 0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.271 9.426 -0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.595 9.630 1.341 1.00 0.00 H new ATOM 794 N GLU A 62 16.968 5.381 1.160 1.00 0.00 N ATOM 795 CA GLU A 62 16.480 4.030 0.894 1.00 0.00 C ATOM 796 C GLU A 62 14.991 3.898 1.187 1.00 0.00 C ATOM 797 O GLU A 62 14.175 3.860 0.269 1.00 0.00 O ATOM 798 CB GLU A 62 17.253 2.980 1.717 1.00 0.00 C ATOM 799 CG GLU A 62 18.442 3.527 2.498 1.00 0.00 C ATOM 800 CD GLU A 62 18.044 4.091 3.848 1.00 0.00 C ATOM 801 OE1 GLU A 62 18.947 4.373 4.663 1.00 0.00 O ATOM 802 OE2 GLU A 62 16.829 4.252 4.089 1.00 0.00 O ATOM 0 H GLU A 62 17.212 5.555 2.135 1.00 0.00 H new ATOM 0 HA GLU A 62 16.646 3.846 -0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.563 2.508 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.607 2.200 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 62 19.174 2.732 2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.929 4.306 1.912 1.00 0.00 H new ATOM 809 N ALA A 63 14.652 3.779 2.469 1.00 0.00 N ATOM 810 CA ALA A 63 13.268 3.571 2.887 1.00 0.00 C ATOM 811 C ALA A 63 12.475 4.874 2.949 1.00 0.00 C ATOM 812 O ALA A 63 12.649 5.669 3.872 1.00 0.00 O ATOM 813 CB ALA A 63 13.235 2.880 4.242 1.00 0.00 C ATOM 0 H ALA A 63 15.320 3.823 3.239 1.00 0.00 H new ATOM 0 HA ALA A 63 12.794 2.940 2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.200 2.728 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.738 1.916 4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.744 3.501 4.980 1.00 0.00 H new ATOM 819 N PRO A 64 11.543 5.085 1.999 1.00 0.00 N ATOM 820 CA PRO A 64 10.676 6.255 1.981 1.00 0.00 C ATOM 821 C PRO A 64 9.449 6.032 2.859 1.00 0.00 C ATOM 822 O PRO A 64 9.478 5.205 3.770 1.00 0.00 O ATOM 823 CB PRO A 64 10.267 6.375 0.499 1.00 0.00 C ATOM 824 CG PRO A 64 10.874 5.191 -0.196 1.00 0.00 C ATOM 825 CD PRO A 64 11.225 4.202 0.877 1.00 0.00 C ATOM 0 HA PRO A 64 11.164 7.151 2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.182 6.376 0.393 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.630 7.308 0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.172 4.758 -0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.760 5.484 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.395 3.533 1.105 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.072 3.576 0.596 1.00 0.00 H new ATOM 833 N ILE A 65 8.362 6.737 2.568 1.00 0.00 N ATOM 834 CA ILE A 65 7.128 6.556 3.321 1.00 0.00 C ATOM 835 C ILE A 65 6.205 5.584 2.601 1.00 0.00 C ATOM 836 O ILE A 65 6.333 5.363 1.399 1.00 0.00 O ATOM 837 CB ILE A 65 6.372 7.876 3.551 1.00 0.00 C ATOM 838 CG1 ILE A 65 7.337 9.061 3.615 1.00 0.00 C ATOM 839 CG2 ILE A 65 5.551 7.791 4.825 1.00 0.00 C ATOM 840 CD1 ILE A 65 8.158 9.107 4.885 1.00 0.00 C ATOM 0 H ILE A 65 8.310 7.432 1.824 1.00 0.00 H new ATOM 0 HA ILE A 65 7.418 6.159 4.294 1.00 0.00 H new ATOM 0 HB ILE A 65 5.701 8.037 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.010 9.017 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.768 9.987 3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.020 8.730 4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.831 6.977 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.212 7.605 5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.819 9.973 4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.493 9.183 5.745 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.754 8.198 4.966 1.00 0.00 H new ATOM 852 N CYS A 66 5.275 5.008 3.344 1.00 0.00 N ATOM 853 CA CYS A 66 4.325 4.061 2.780 1.00 0.00 C ATOM 854 C CYS A 66 3.080 3.966 3.646 1.00 0.00 C ATOM 855 O CYS A 66 3.163 3.935 4.874 1.00 0.00 O ATOM 856 CB CYS A 66 4.963 2.678 2.643 1.00 0.00 C ATOM 857 SG CYS A 66 5.593 2.311 0.973 1.00 0.00 S ATOM 0 H CYS A 66 5.157 5.180 4.342 1.00 0.00 H new ATOM 0 HA CYS A 66 4.039 4.421 1.792 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.784 2.596 3.355 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.227 1.922 2.916 1.00 0.00 H new ATOM 862 N GLU A 67 1.928 3.917 2.997 1.00 0.00 N ATOM 863 CA GLU A 67 0.662 3.825 3.699 1.00 0.00 C ATOM 864 C GLU A 67 -0.360 3.076 2.860 1.00 0.00 C ATOM 865 O GLU A 67 -0.084 2.690 1.724 1.00 0.00 O ATOM 866 CB GLU A 67 0.141 5.225 4.028 1.00 0.00 C ATOM 867 CG GLU A 67 -0.099 5.453 5.512 1.00 0.00 C ATOM 868 CD GLU A 67 -1.244 6.412 5.776 1.00 0.00 C ATOM 869 OE1 GLU A 67 -2.333 5.942 6.168 1.00 0.00 O ATOM 870 OE2 GLU A 67 -1.051 7.632 5.590 1.00 0.00 O ATOM 0 H GLU A 67 1.846 3.940 1.981 1.00 0.00 H new ATOM 0 HA GLU A 67 0.821 3.276 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.856 5.964 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.791 5.393 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.311 4.498 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.811 5.844 5.968 1.00 0.00 H new ATOM 877 N SER A 68 -1.540 2.875 3.423 1.00 0.00 N ATOM 878 CA SER A 68 -2.607 2.189 2.716 1.00 0.00 C ATOM 879 C SER A 68 -3.656 3.181 2.239 1.00 0.00 C ATOM 880 O SER A 68 -3.978 4.142 2.937 1.00 0.00 O ATOM 881 CB SER A 68 -3.252 1.130 3.619 1.00 0.00 C ATOM 882 OG SER A 68 -4.426 1.624 4.244 1.00 0.00 O ATOM 0 H SER A 68 -1.782 3.177 4.367 1.00 0.00 H new ATOM 0 HA SER A 68 -2.178 1.693 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.497 0.247 3.028 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.538 0.816 4.380 1.00 0.00 H new ATOM 0 HG SER A 68 -4.262 1.740 5.203 1.00 0.00 H new ATOM 888 N VAL A 69 -4.175 2.946 1.042 1.00 0.00 N ATOM 889 CA VAL A 69 -5.201 3.806 0.473 1.00 0.00 C ATOM 890 C VAL A 69 -6.498 3.681 1.265 1.00 0.00 C ATOM 891 O VAL A 69 -7.499 3.160 0.774 1.00 0.00 O ATOM 892 CB VAL A 69 -5.455 3.462 -0.999 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.609 1.965 -1.159 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.321 3.981 -1.870 1.00 0.00 C ATOM 0 H VAL A 69 -3.901 2.165 0.446 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.845 4.835 0.530 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.378 3.945 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.789 1.728 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.698 1.468 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.451 1.620 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.517 3.728 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.249 5.064 -1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.383 3.524 -1.556 1.00 0.00 H new ATOM 904 N LYS A 70 -6.452 4.145 2.508 1.00 0.00 N ATOM 905 CA LYS A 70 -7.592 4.067 3.412 1.00 0.00 C ATOM 906 C LYS A 70 -8.881 4.544 2.754 1.00 0.00 C ATOM 907 O LYS A 70 -9.046 5.732 2.477 1.00 0.00 O ATOM 908 CB LYS A 70 -7.322 4.900 4.664 1.00 0.00 C ATOM 909 CG LYS A 70 -6.403 4.216 5.661 1.00 0.00 C ATOM 910 CD LYS A 70 -7.190 3.596 6.803 1.00 0.00 C ATOM 911 CE LYS A 70 -7.071 2.081 6.807 1.00 0.00 C ATOM 912 NZ LYS A 70 -7.282 1.512 8.167 1.00 0.00 N ATOM 0 H LYS A 70 -5.627 4.584 2.916 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.722 3.018 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.881 5.852 4.369 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.270 5.126 5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.824 3.444 5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.691 4.940 6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.829 3.992 7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.239 3.879 6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.802 1.657 6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.085 1.793 6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.193 0.477 8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.569 1.897 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.232 1.765 8.506 1.00 0.00 H new ATOM 926 N CYS A 71 -9.810 3.616 2.546 1.00 0.00 N ATOM 927 CA CYS A 71 -11.118 3.951 1.999 1.00 0.00 C ATOM 928 C CYS A 71 -12.113 4.095 3.134 1.00 0.00 C ATOM 929 O CYS A 71 -12.263 3.193 3.958 1.00 0.00 O ATOM 930 CB CYS A 71 -11.627 2.886 1.018 1.00 0.00 C ATOM 931 SG CYS A 71 -10.405 1.624 0.518 1.00 0.00 S ATOM 0 H CYS A 71 -9.680 2.625 2.749 1.00 0.00 H new ATOM 0 HA CYS A 71 -11.016 4.888 1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.481 2.380 1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.991 3.388 0.122 1.00 0.00 H new ATOM 936 N GLN A 72 -12.785 5.229 3.183 1.00 0.00 N ATOM 937 CA GLN A 72 -13.750 5.475 4.235 1.00 0.00 C ATOM 938 C GLN A 72 -15.071 4.784 3.934 1.00 0.00 C ATOM 939 O GLN A 72 -15.144 3.919 3.061 1.00 0.00 O ATOM 940 CB GLN A 72 -13.959 6.978 4.424 1.00 0.00 C ATOM 941 CG GLN A 72 -14.743 7.637 3.299 1.00 0.00 C ATOM 942 CD GLN A 72 -13.882 7.941 2.089 1.00 0.00 C ATOM 943 OE1 GLN A 72 -14.220 7.571 0.964 1.00 0.00 O ATOM 944 NE2 GLN A 72 -12.756 8.608 2.315 1.00 0.00 N ATOM 0 H GLN A 72 -12.681 5.989 2.511 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.357 5.059 5.163 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.482 7.147 5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -12.986 7.463 4.508 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.563 6.984 3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.189 8.562 3.665 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.515 8.895 3.264 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.132 8.833 1.540 1.00 0.00 H new ATOM 953 N SER A 73 -16.113 5.162 4.668 1.00 0.00 N ATOM 954 CA SER A 73 -17.434 4.566 4.495 1.00 0.00 C ATOM 955 C SER A 73 -17.774 4.386 3.013 1.00 0.00 C ATOM 956 O SER A 73 -17.547 5.286 2.205 1.00 0.00 O ATOM 957 CB SER A 73 -18.490 5.439 5.176 1.00 0.00 C ATOM 958 OG SER A 73 -19.751 5.310 4.544 1.00 0.00 O ATOM 0 H SER A 73 -16.068 5.881 5.391 1.00 0.00 H new ATOM 0 HA SER A 73 -17.426 3.579 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.576 5.157 6.225 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.174 6.482 5.151 1.00 0.00 H new ATOM 0 HG SER A 73 -19.885 4.379 4.269 1.00 0.00 H new ATOM 964 N PRO A 74 -18.298 3.208 2.631 1.00 0.00 N ATOM 965 CA PRO A 74 -18.646 2.920 1.236 1.00 0.00 C ATOM 966 C PRO A 74 -19.664 3.914 0.679 1.00 0.00 C ATOM 967 O PRO A 74 -20.338 4.614 1.434 1.00 0.00 O ATOM 968 CB PRO A 74 -19.239 1.507 1.286 1.00 0.00 C ATOM 969 CG PRO A 74 -18.758 0.923 2.570 1.00 0.00 C ATOM 970 CD PRO A 74 -18.597 2.073 3.521 1.00 0.00 C ATOM 0 HA PRO A 74 -17.780 2.999 0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.328 1.536 1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.908 0.912 0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -19.471 0.195 2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -17.812 0.400 2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.503 2.245 4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -17.791 1.897 4.233 1.00 0.00 H new ATOM 978 N PRO A 75 -19.776 3.999 -0.659 1.00 0.00 N ATOM 979 CA PRO A 75 -20.703 4.917 -1.319 1.00 0.00 C ATOM 980 C PRO A 75 -22.054 4.996 -0.622 1.00 0.00 C ATOM 981 O PRO A 75 -22.471 4.062 0.061 1.00 0.00 O ATOM 982 CB PRO A 75 -20.850 4.310 -2.709 1.00 0.00 C ATOM 983 CG PRO A 75 -19.534 3.662 -2.972 1.00 0.00 C ATOM 984 CD PRO A 75 -19.005 3.203 -1.634 1.00 0.00 C ATOM 0 HA PRO A 75 -20.335 5.943 -1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -21.663 3.585 -2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -21.073 5.073 -3.454 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -19.646 2.819 -3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -18.844 4.363 -3.442 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -19.159 2.134 -1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.934 3.386 -1.543 1.00 0.00 H new ATOM 992 N SER A 76 -22.732 6.123 -0.804 1.00 0.00 N ATOM 993 CA SER A 76 -24.035 6.340 -0.191 1.00 0.00 C ATOM 994 C SER A 76 -25.149 6.243 -1.227 1.00 0.00 C ATOM 995 O SER A 76 -25.521 7.239 -1.849 1.00 0.00 O ATOM 996 CB SER A 76 -24.075 7.709 0.491 1.00 0.00 C ATOM 997 OG SER A 76 -23.654 8.733 -0.394 1.00 0.00 O ATOM 0 H SER A 76 -22.399 6.902 -1.373 1.00 0.00 H new ATOM 0 HA SER A 76 -24.192 5.562 0.556 1.00 0.00 H new ATOM 0 HB2 SER A 76 -25.088 7.917 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 76 -23.433 7.699 1.372 1.00 0.00 H new ATOM 0 HG SER A 76 -24.166 8.676 -1.228 1.00 0.00 H new ATOM 1003 N ILE A 77 -25.686 5.041 -1.398 1.00 0.00 N ATOM 1004 CA ILE A 77 -26.761 4.813 -2.357 1.00 0.00 C ATOM 1005 C ILE A 77 -28.054 5.473 -1.897 1.00 0.00 C ATOM 1006 O ILE A 77 -28.124 6.028 -0.801 1.00 0.00 O ATOM 1007 CB ILE A 77 -27.021 3.309 -2.572 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -27.512 2.657 -1.276 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -25.761 2.624 -3.073 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -28.238 1.347 -1.496 1.00 0.00 C ATOM 0 H ILE A 77 -25.395 4.209 -0.885 1.00 0.00 H new ATOM 0 HA ILE A 77 -26.439 5.256 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 77 -27.800 3.195 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -26.659 2.485 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -28.177 3.349 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -25.958 1.562 -3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -25.455 3.071 -4.019 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -24.964 2.746 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -28.557 0.942 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -29.111 1.516 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -27.569 0.638 -1.984 1.00 0.00 H new ATOM 1022 N SER A 78 -29.079 5.400 -2.738 1.00 0.00 N ATOM 1023 CA SER A 78 -30.376 5.970 -2.405 1.00 0.00 C ATOM 1024 C SER A 78 -31.276 4.921 -1.776 1.00 0.00 C ATOM 1025 O SER A 78 -31.189 3.737 -2.102 1.00 0.00 O ATOM 1026 CB SER A 78 -31.055 6.538 -3.653 1.00 0.00 C ATOM 1027 OG SER A 78 -31.942 7.590 -3.317 1.00 0.00 O ATOM 0 H SER A 78 -29.036 4.952 -3.653 1.00 0.00 H new ATOM 0 HA SER A 78 -30.211 6.776 -1.690 1.00 0.00 H new ATOM 0 HB2 SER A 78 -30.299 6.904 -4.348 1.00 0.00 H new ATOM 0 HB3 SER A 78 -31.602 5.747 -4.165 1.00 0.00 H new ATOM 0 HG SER A 78 -32.844 7.229 -3.189 1.00 0.00 H new ATOM 1033 N ASN A 79 -32.157 5.362 -0.890 1.00 0.00 N ATOM 1034 CA ASN A 79 -33.106 4.463 -0.250 1.00 0.00 C ATOM 1035 C ASN A 79 -32.402 3.240 0.325 1.00 0.00 C ATOM 1036 O ASN A 79 -32.990 2.163 0.426 1.00 0.00 O ATOM 1037 CB ASN A 79 -34.170 4.023 -1.261 1.00 0.00 C ATOM 1038 CG ASN A 79 -34.563 5.135 -2.209 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -33.803 5.288 -3.282 1.00 0.00 O flip ATOM 1040 ND2 ASN A 79 -35.532 5.855 -1.972 1.00 0.00 N flip ATOM 0 H ASN A 79 -32.234 6.336 -0.598 1.00 0.00 H new ATOM 0 HA ASN A 79 -33.583 4.999 0.570 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -33.793 3.177 -1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -35.054 3.677 -0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -36.089 5.700 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -35.778 6.607 -2.616 1.00 0.00 H new ATOM 1047 N GLY A 80 -31.139 3.412 0.697 1.00 0.00 N ATOM 1048 CA GLY A 80 -30.381 2.311 1.259 1.00 0.00 C ATOM 1049 C GLY A 80 -29.198 2.771 2.085 1.00 0.00 C ATOM 1050 O GLY A 80 -29.129 3.929 2.496 1.00 0.00 O ATOM 0 H GLY A 80 -30.628 4.291 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -31.038 1.704 1.882 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -30.027 1.671 0.451 1.00 0.00 H new ATOM 1054 N ARG A 81 -28.275 1.852 2.347 1.00 0.00 N ATOM 1055 CA ARG A 81 -27.097 2.157 3.144 1.00 0.00 C ATOM 1056 C ARG A 81 -26.093 1.014 3.090 1.00 0.00 C ATOM 1057 O ARG A 81 -26.291 0.027 2.382 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.496 2.427 4.593 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.656 1.577 5.078 1.00 0.00 C ATOM 1060 CD ARG A 81 -29.181 2.076 6.410 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.316 1.289 6.884 1.00 0.00 N ATOM 1062 CZ ARG A 81 -30.753 1.309 8.138 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -31.791 0.563 8.494 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -30.152 2.075 9.039 1.00 0.00 N ATOM 0 H ARG A 81 -28.322 0.888 2.017 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.629 3.049 2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.634 2.250 5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.760 3.479 4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.457 1.594 4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -28.335 0.540 5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -28.382 2.040 7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -29.480 3.120 6.313 1.00 0.00 H new ATOM 0 HE ARG A 81 -30.800 0.691 6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -32.255 -0.028 7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -32.125 0.580 9.458 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -29.354 2.649 8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -30.488 2.090 10.002 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.022 1.154 3.856 1.00 0.00 N ATOM 1079 CA HIS A 82 -23.978 0.139 3.912 1.00 0.00 C ATOM 1080 C HIS A 82 -23.769 -0.344 5.342 1.00 0.00 C ATOM 1081 O HIS A 82 -24.240 0.279 6.293 1.00 0.00 O ATOM 1082 CB HIS A 82 -22.668 0.704 3.366 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.369 2.082 3.862 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.164 2.373 5.195 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -22.257 3.257 3.201 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -21.931 3.666 5.330 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -21.985 4.224 4.135 1.00 0.00 N ATOM 0 H HIS A 82 -24.851 1.965 4.451 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.292 -0.706 3.300 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -21.850 0.040 3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.712 0.718 2.277 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.362 3.406 2.136 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.731 4.179 6.259 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -21.847 5.215 3.938 1.00 0.00 H new ATOM 1096 N ASN A 83 -23.052 -1.451 5.487 1.00 0.00 N ATOM 1097 CA ASN A 83 -22.762 -2.003 6.803 1.00 0.00 C ATOM 1098 C ASN A 83 -21.259 -1.991 7.066 1.00 0.00 C ATOM 1099 O ASN A 83 -20.521 -1.227 6.445 1.00 0.00 O ATOM 1100 CB ASN A 83 -23.326 -3.424 6.923 1.00 0.00 C ATOM 1101 CG ASN A 83 -22.580 -4.437 6.072 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -21.487 -4.172 5.575 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -23.174 -5.613 5.904 1.00 0.00 N ATOM 0 H ASN A 83 -22.661 -1.984 4.710 1.00 0.00 H new ATOM 0 HA ASN A 83 -23.244 -1.380 7.556 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.287 -3.737 7.966 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -24.376 -3.417 6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -22.723 -6.337 5.345 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -24.081 -5.792 6.334 1.00 0.00 H new ATOM 1110 N GLY A 84 -20.807 -2.837 7.984 1.00 0.00 N ATOM 1111 CA GLY A 84 -19.394 -2.895 8.295 1.00 0.00 C ATOM 1112 C GLY A 84 -19.131 -3.010 9.781 1.00 0.00 C ATOM 1113 O GLY A 84 -20.035 -2.826 10.596 1.00 0.00 O ATOM 0 H GLY A 84 -21.392 -3.481 8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -18.948 -3.748 7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.904 -2.000 7.911 1.00 0.00 H new ATOM 1117 N TYR A 85 -17.888 -3.311 10.133 1.00 0.00 N ATOM 1118 CA TYR A 85 -17.505 -3.457 11.530 1.00 0.00 C ATOM 1119 C TYR A 85 -16.533 -2.362 11.950 1.00 0.00 C ATOM 1120 O TYR A 85 -16.511 -1.946 13.108 1.00 0.00 O ATOM 1121 CB TYR A 85 -16.872 -4.829 11.763 1.00 0.00 C ATOM 1122 CG TYR A 85 -17.498 -5.935 10.944 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -18.577 -6.662 11.432 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -17.010 -6.252 9.683 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -19.151 -7.674 10.686 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -17.579 -7.262 8.930 1.00 0.00 C ATOM 1127 CZ TYR A 85 -18.648 -7.970 9.436 1.00 0.00 C ATOM 1128 OH TYR A 85 -19.218 -8.976 8.690 1.00 0.00 O ATOM 0 H TYR A 85 -17.128 -3.459 9.469 1.00 0.00 H new ATOM 0 HA TYR A 85 -18.406 -3.368 12.137 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -15.809 -4.773 11.529 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -16.953 -5.082 12.820 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -18.973 -6.433 12.410 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -16.172 -5.700 9.284 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -19.989 -8.230 11.080 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -17.188 -7.495 7.951 1.00 0.00 H new ATOM 0 HH TYR A 85 -18.747 -9.056 7.834 1.00 0.00 H new ATOM 1138 N GLU A 86 -15.733 -1.900 11.000 1.00 0.00 N ATOM 1139 CA GLU A 86 -14.751 -0.862 11.265 1.00 0.00 C ATOM 1140 C GLU A 86 -15.259 0.503 10.818 1.00 0.00 C ATOM 1141 O GLU A 86 -16.411 0.646 10.409 1.00 0.00 O ATOM 1142 CB GLU A 86 -13.444 -1.190 10.543 1.00 0.00 C ATOM 1143 CG GLU A 86 -12.443 -1.934 11.410 1.00 0.00 C ATOM 1144 CD GLU A 86 -11.138 -1.180 11.573 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -10.070 -1.782 11.331 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -11.182 0.011 11.945 1.00 0.00 O ATOM 0 H GLU A 86 -15.746 -2.230 10.035 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.576 -0.825 12.340 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.666 -1.791 9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.990 -0.264 10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.881 -2.112 12.392 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.241 -2.910 10.969 1.00 0.00 H new ATOM 1153 N ASP A 87 -14.388 1.502 10.898 1.00 0.00 N ATOM 1154 CA ASP A 87 -14.736 2.857 10.488 1.00 0.00 C ATOM 1155 C ASP A 87 -14.101 3.192 9.144 1.00 0.00 C ATOM 1156 O ASP A 87 -14.613 4.020 8.391 1.00 0.00 O ATOM 1157 CB ASP A 87 -14.288 3.867 11.545 1.00 0.00 C ATOM 1158 CG ASP A 87 -15.394 4.828 11.933 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -16.192 5.202 11.047 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -15.464 5.205 13.121 1.00 0.00 O ATOM 0 H ASP A 87 -13.434 1.399 11.244 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.820 2.913 10.385 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.947 3.333 12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.436 4.432 11.166 1.00 0.00 H new ATOM 1165 N PHE A 88 -12.986 2.535 8.851 1.00 0.00 N ATOM 1166 CA PHE A 88 -12.280 2.744 7.594 1.00 0.00 C ATOM 1167 C PHE A 88 -12.075 1.419 6.869 1.00 0.00 C ATOM 1168 O PHE A 88 -12.498 0.366 7.348 1.00 0.00 O ATOM 1169 CB PHE A 88 -10.929 3.413 7.848 1.00 0.00 C ATOM 1170 CG PHE A 88 -10.985 4.910 7.835 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -11.359 5.613 8.968 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -10.649 5.614 6.693 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -11.405 6.993 8.957 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -10.692 6.992 6.675 1.00 0.00 C ATOM 1175 CZ PHE A 88 -11.071 7.685 7.809 1.00 0.00 C ATOM 0 H PHE A 88 -12.550 1.851 9.469 1.00 0.00 H new ATOM 0 HA PHE A 88 -12.886 3.397 6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.545 3.081 8.813 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.220 3.078 7.091 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.617 5.077 9.869 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.349 5.078 5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.702 7.531 9.845 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.430 7.529 5.776 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.106 8.764 7.798 1.00 0.00 H new ATOM 1185 N TYR A 89 -11.427 1.476 5.712 1.00 0.00 N ATOM 1186 CA TYR A 89 -11.168 0.277 4.923 1.00 0.00 C ATOM 1187 C TYR A 89 -9.916 0.453 4.069 1.00 0.00 C ATOM 1188 O TYR A 89 -9.393 1.559 3.941 1.00 0.00 O ATOM 1189 CB TYR A 89 -12.375 -0.045 4.037 1.00 0.00 C ATOM 1190 CG TYR A 89 -13.662 -0.245 4.811 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -14.115 -1.522 5.120 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -14.423 0.840 5.235 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -15.289 -1.713 5.823 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -15.601 0.656 5.933 1.00 0.00 C ATOM 1195 CZ TYR A 89 -16.028 -0.621 6.227 1.00 0.00 C ATOM 1196 OH TYR A 89 -17.198 -0.807 6.927 1.00 0.00 O ATOM 0 H TYR A 89 -11.071 2.338 5.299 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.002 -0.555 5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -12.514 0.764 3.320 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -12.163 -0.947 3.463 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -13.539 -2.380 4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -14.087 1.843 5.015 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -15.626 -2.712 6.055 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -16.185 1.509 6.247 1.00 0.00 H new ATOM 0 HH TYR A 89 -17.596 0.064 7.137 1.00 0.00 H new ATOM 1206 N THR A 90 -9.430 -0.645 3.497 1.00 0.00 N ATOM 1207 CA THR A 90 -8.230 -0.604 2.670 1.00 0.00 C ATOM 1208 C THR A 90 -8.358 -1.522 1.460 1.00 0.00 C ATOM 1209 O THR A 90 -9.404 -2.128 1.234 1.00 0.00 O ATOM 1210 CB THR A 90 -7.008 -1.007 3.497 1.00 0.00 C ATOM 1211 OG1 THR A 90 -7.250 -2.220 4.188 1.00 0.00 O ATOM 1212 CG2 THR A 90 -6.611 0.034 4.517 1.00 0.00 C ATOM 0 H THR A 90 -9.848 -1.571 3.591 1.00 0.00 H new ATOM 0 HA THR A 90 -8.106 0.418 2.311 1.00 0.00 H new ATOM 0 HB THR A 90 -6.194 -1.118 2.781 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.457 -2.463 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.738 -0.313 5.070 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.371 0.968 4.009 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.437 0.199 5.209 1.00 0.00 H new ATOM 1220 N ASP A 91 -7.284 -1.623 0.687 1.00 0.00 N ATOM 1221 CA ASP A 91 -7.276 -2.468 -0.496 1.00 0.00 C ATOM 1222 C ASP A 91 -7.507 -3.920 -0.127 1.00 0.00 C ATOM 1223 O ASP A 91 -6.581 -4.640 0.246 1.00 0.00 O ATOM 1224 CB ASP A 91 -5.959 -2.336 -1.250 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.057 -1.391 -2.430 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -6.850 -1.674 -3.352 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.339 -0.370 -2.434 1.00 0.00 O ATOM 0 H ASP A 91 -6.408 -1.129 0.860 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.088 -2.135 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.187 -1.980 -0.567 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.645 -3.319 -1.601 1.00 0.00 H new ATOM 1232 N GLY A 92 -8.752 -4.336 -0.242 1.00 0.00 N ATOM 1233 CA GLY A 92 -9.105 -5.709 0.047 1.00 0.00 C ATOM 1234 C GLY A 92 -10.214 -5.838 1.074 1.00 0.00 C ATOM 1235 O GLY A 92 -10.383 -6.899 1.675 1.00 0.00 O ATOM 0 H GLY A 92 -9.532 -3.746 -0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.414 -6.200 -0.876 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.222 -6.236 0.408 1.00 0.00 H new ATOM 1239 N SER A 93 -10.978 -4.768 1.277 1.00 0.00 N ATOM 1240 CA SER A 93 -12.084 -4.804 2.230 1.00 0.00 C ATOM 1241 C SER A 93 -13.410 -4.990 1.504 1.00 0.00 C ATOM 1242 O SER A 93 -13.537 -4.646 0.332 1.00 0.00 O ATOM 1243 CB SER A 93 -12.122 -3.524 3.072 1.00 0.00 C ATOM 1244 OG SER A 93 -10.889 -2.832 3.006 1.00 0.00 O ATOM 0 H SER A 93 -10.854 -3.875 0.801 1.00 0.00 H new ATOM 0 HA SER A 93 -11.925 -5.652 2.896 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.925 -2.877 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.347 -3.774 4.109 1.00 0.00 H new ATOM 0 HG SER A 93 -10.795 -2.415 2.124 1.00 0.00 H new ATOM 1250 N VAL A 94 -14.390 -5.555 2.197 1.00 0.00 N ATOM 1251 CA VAL A 94 -15.701 -5.783 1.607 1.00 0.00 C ATOM 1252 C VAL A 94 -16.809 -5.325 2.549 1.00 0.00 C ATOM 1253 O VAL A 94 -16.665 -5.376 3.771 1.00 0.00 O ATOM 1254 CB VAL A 94 -15.904 -7.271 1.242 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -14.915 -7.687 0.168 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -17.332 -7.537 0.782 1.00 0.00 C ATOM 0 H VAL A 94 -14.302 -5.863 3.165 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.751 -5.194 0.691 1.00 0.00 H new ATOM 0 HB VAL A 94 -15.725 -7.866 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -15.068 -8.737 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -15.067 -7.077 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.898 -7.545 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -17.443 -8.592 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.026 -7.278 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -17.550 -6.931 -0.098 1.00 0.00 H new ATOM 1266 N VAL A 95 -17.913 -4.881 1.965 1.00 0.00 N ATOM 1267 CA VAL A 95 -19.055 -4.414 2.738 1.00 0.00 C ATOM 1268 C VAL A 95 -20.359 -4.760 2.032 1.00 0.00 C ATOM 1269 O VAL A 95 -20.420 -4.799 0.804 1.00 0.00 O ATOM 1270 CB VAL A 95 -18.991 -2.894 2.966 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -20.048 -2.446 3.959 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -17.608 -2.488 3.441 1.00 0.00 C ATOM 0 H VAL A 95 -18.042 -4.834 0.954 1.00 0.00 H new ATOM 0 HA VAL A 95 -19.020 -4.917 3.705 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.192 -2.400 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -19.980 -1.367 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.037 -2.700 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -19.887 -2.949 4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.579 -1.410 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.381 -2.997 4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -16.869 -2.765 2.689 1.00 0.00 H new ATOM 1282 N THR A 96 -21.396 -5.023 2.815 1.00 0.00 N ATOM 1283 CA THR A 96 -22.696 -5.375 2.261 1.00 0.00 C ATOM 1284 C THR A 96 -23.685 -4.229 2.422 1.00 0.00 C ATOM 1285 O THR A 96 -23.886 -3.715 3.522 1.00 0.00 O ATOM 1286 CB THR A 96 -23.238 -6.635 2.939 1.00 0.00 C ATOM 1287 OG1 THR A 96 -22.377 -7.051 3.984 1.00 0.00 O ATOM 1288 CG2 THR A 96 -23.405 -7.801 1.990 1.00 0.00 C ATOM 0 H THR A 96 -21.363 -4.999 3.834 1.00 0.00 H new ATOM 0 HA THR A 96 -22.569 -5.571 1.196 1.00 0.00 H new ATOM 0 HB THR A 96 -24.220 -6.357 3.323 1.00 0.00 H new ATOM 0 HG1 THR A 96 -22.741 -7.857 4.407 1.00 0.00 H new ATOM 0 HG21 THR A 96 -23.793 -8.661 2.535 1.00 0.00 H new ATOM 0 HG22 THR A 96 -24.103 -7.529 1.198 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.440 -8.054 1.551 1.00 0.00 H new ATOM 1296 N TYR A 97 -24.296 -3.832 1.314 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.261 -2.744 1.321 1.00 0.00 C ATOM 1298 C TYR A 97 -26.653 -3.253 1.677 1.00 0.00 C ATOM 1299 O TYR A 97 -26.956 -4.433 1.505 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.284 -2.057 -0.042 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.240 -0.978 -0.188 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -22.913 -1.221 0.142 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.581 0.280 -0.662 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -21.956 -0.237 0.008 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -23.628 1.269 -0.800 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.317 1.006 -0.463 1.00 0.00 C ATOM 1307 OH TYR A 97 -21.366 1.989 -0.604 1.00 0.00 O ATOM 0 H TYR A 97 -24.139 -4.249 0.397 1.00 0.00 H new ATOM 0 HA TYR A 97 -24.959 -2.022 2.080 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.133 -2.805 -0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.270 -1.622 -0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -22.626 -2.195 0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.607 0.489 -0.927 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -20.928 -0.440 0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -23.908 2.244 -1.170 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.579 2.738 -0.009 1.00 0.00 H new ATOM 1317 N SER A 98 -27.492 -2.356 2.182 1.00 0.00 N ATOM 1318 CA SER A 98 -28.850 -2.720 2.573 1.00 0.00 C ATOM 1319 C SER A 98 -29.804 -1.542 2.411 1.00 0.00 C ATOM 1320 O SER A 98 -29.427 -0.390 2.627 1.00 0.00 O ATOM 1321 CB SER A 98 -28.870 -3.209 4.022 1.00 0.00 C ATOM 1322 OG SER A 98 -28.122 -4.404 4.168 1.00 0.00 O ATOM 0 H SER A 98 -27.258 -1.374 2.330 1.00 0.00 H new ATOM 0 HA SER A 98 -29.184 -3.524 1.917 1.00 0.00 H new ATOM 0 HB2 SER A 98 -28.461 -2.438 4.675 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.899 -3.380 4.337 1.00 0.00 H new ATOM 0 HG SER A 98 -28.149 -4.695 5.103 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.046 -1.841 2.038 1.00 0.00 N ATOM 1329 CA CYS A 99 -32.056 -0.809 1.850 1.00 0.00 C ATOM 1330 C CYS A 99 -32.560 -0.285 3.192 1.00 0.00 C ATOM 1331 O CYS A 99 -32.481 -0.978 4.207 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.223 -1.355 1.029 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.740 -1.993 -0.608 1.00 0.00 S ATOM 0 H CYS A 99 -31.375 -2.790 1.861 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.597 0.019 1.310 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.707 -2.154 1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.962 -0.565 0.896 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.080 0.939 3.191 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.577 1.560 4.414 1.00 0.00 C ATOM 1340 C ASN A 100 -35.021 1.154 4.704 1.00 0.00 C ATOM 1341 O ASN A 100 -35.276 0.312 5.565 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.471 3.083 4.311 1.00 0.00 C ATOM 1343 CG ASN A 100 -32.043 3.550 4.115 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -31.155 3.212 4.895 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -31.817 4.329 3.065 1.00 0.00 N ATOM 0 H ASN A 100 -33.168 1.520 2.357 1.00 0.00 H new ATOM 0 HA ASN A 100 -32.959 1.209 5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -34.082 3.432 3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -33.877 3.535 5.216 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.875 4.673 2.878 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -32.585 4.584 2.444 1.00 0.00 H new ATOM 1352 N SER A 101 -35.964 1.770 3.997 1.00 0.00 N ATOM 1353 CA SER A 101 -37.382 1.489 4.199 1.00 0.00 C ATOM 1354 C SER A 101 -37.701 0.021 3.935 1.00 0.00 C ATOM 1355 O SER A 101 -38.695 -0.507 4.435 1.00 0.00 O ATOM 1356 CB SER A 101 -38.232 2.377 3.289 1.00 0.00 C ATOM 1357 OG SER A 101 -38.274 3.710 3.768 1.00 0.00 O ATOM 0 H SER A 101 -35.772 2.468 3.278 1.00 0.00 H new ATOM 0 HA SER A 101 -37.619 1.706 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 101 -37.823 2.364 2.279 1.00 0.00 H new ATOM 0 HB3 SER A 101 -39.244 1.977 3.229 1.00 0.00 H new ATOM 0 HG SER A 101 -38.822 4.256 3.167 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.860 -0.632 3.141 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.077 -2.032 2.824 1.00 0.00 C ATOM 1365 C GLY A 102 -37.152 -2.285 1.331 1.00 0.00 C ATOM 1366 O GLY A 102 -37.884 -3.166 0.879 1.00 0.00 O ATOM 0 H GLY A 102 -36.033 -0.218 2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.269 -2.627 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.002 -2.368 3.293 1.00 0.00 H new ATOM 1370 N TYR A 103 -36.388 -1.516 0.564 1.00 0.00 N ATOM 1371 CA TYR A 103 -36.360 -1.658 -0.881 1.00 0.00 C ATOM 1372 C TYR A 103 -35.683 -2.961 -1.282 1.00 0.00 C ATOM 1373 O TYR A 103 -35.315 -3.771 -0.432 1.00 0.00 O ATOM 1374 CB TYR A 103 -35.616 -0.475 -1.507 1.00 0.00 C ATOM 1375 CG TYR A 103 -36.460 0.770 -1.648 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -36.576 1.676 -0.601 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -37.138 1.043 -2.829 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -37.346 2.817 -0.727 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -37.908 2.182 -2.963 1.00 0.00 C ATOM 1380 CZ TYR A 103 -38.010 3.065 -1.909 1.00 0.00 C ATOM 1381 OH TYR A 103 -38.778 4.199 -2.037 1.00 0.00 O ATOM 0 H TYR A 103 -35.777 -0.784 0.925 1.00 0.00 H new ATOM 0 HA TYR A 103 -37.387 -1.674 -1.245 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -34.743 -0.243 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -35.250 -0.768 -2.491 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -36.056 1.486 0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -37.062 0.353 -3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -37.427 3.511 0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -38.428 2.380 -3.889 1.00 0.00 H new ATOM 0 HH TYR A 103 -39.177 4.224 -2.932 1.00 0.00 H new ATOM 1391 N SER A 104 -35.520 -3.150 -2.581 1.00 0.00 N ATOM 1392 CA SER A 104 -34.868 -4.343 -3.105 1.00 0.00 C ATOM 1393 C SER A 104 -33.487 -3.999 -3.644 1.00 0.00 C ATOM 1394 O SER A 104 -33.357 -3.461 -4.744 1.00 0.00 O ATOM 1395 CB SER A 104 -35.717 -4.972 -4.211 1.00 0.00 C ATOM 1396 OG SER A 104 -37.086 -5.007 -3.847 1.00 0.00 O ATOM 0 H SER A 104 -35.831 -2.492 -3.295 1.00 0.00 H new ATOM 0 HA SER A 104 -34.760 -5.061 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 104 -35.597 -4.403 -5.133 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.365 -5.984 -4.413 1.00 0.00 H new ATOM 0 HG SER A 104 -37.504 -4.147 -4.063 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.457 -4.305 -2.861 1.00 0.00 N ATOM 1403 CA LEU A 105 -31.090 -4.008 -3.252 1.00 0.00 C ATOM 1404 C LEU A 105 -30.812 -4.444 -4.679 1.00 0.00 C ATOM 1405 O LEU A 105 -31.052 -5.591 -5.057 1.00 0.00 O ATOM 1406 CB LEU A 105 -30.097 -4.663 -2.308 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.870 -3.805 -2.021 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -28.950 -3.216 -0.627 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.599 -4.609 -2.207 1.00 0.00 C ATOM 0 H LEU A 105 -32.547 -4.759 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.968 -2.926 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.599 -4.891 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.774 -5.612 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.848 -2.980 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.066 -2.606 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.843 -2.596 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -28.998 -4.021 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.735 -3.978 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.602 -5.458 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.544 -4.970 -3.234 1.00 0.00 H new ATOM 1421 N ILE A 106 -30.310 -3.508 -5.460 1.00 0.00 N ATOM 1422 CA ILE A 106 -29.986 -3.759 -6.851 1.00 0.00 C ATOM 1423 C ILE A 106 -28.509 -4.106 -6.999 1.00 0.00 C ATOM 1424 O ILE A 106 -27.688 -3.721 -6.170 1.00 0.00 O ATOM 1425 CB ILE A 106 -30.331 -2.533 -7.717 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -31.839 -2.286 -7.694 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -29.845 -2.717 -9.147 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -32.647 -3.444 -8.234 1.00 0.00 C ATOM 0 H ILE A 106 -30.116 -2.556 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 106 -30.581 -4.605 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 106 -29.821 -1.664 -7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -32.150 -2.082 -6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -32.062 -1.393 -8.279 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -30.102 -1.836 -9.735 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -28.763 -2.851 -9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -30.321 -3.596 -9.583 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -33.708 -3.200 -8.188 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -32.363 -3.634 -9.269 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -32.453 -4.334 -7.635 1.00 0.00 H new ATOM 1440 N GLY A 107 -28.178 -4.840 -8.052 1.00 0.00 N ATOM 1441 CA GLY A 107 -26.802 -5.240 -8.264 1.00 0.00 C ATOM 1442 C GLY A 107 -26.322 -6.198 -7.198 1.00 0.00 C ATOM 1443 O GLY A 107 -26.950 -7.228 -6.947 1.00 0.00 O ATOM 0 H GLY A 107 -28.835 -5.165 -8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -26.707 -5.710 -9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -26.164 -4.356 -8.271 1.00 0.00 H new ATOM 1447 N ASN A 108 -25.220 -5.848 -6.555 1.00 0.00 N ATOM 1448 CA ASN A 108 -24.660 -6.673 -5.492 1.00 0.00 C ATOM 1449 C ASN A 108 -24.434 -5.853 -4.228 1.00 0.00 C ATOM 1450 O ASN A 108 -23.902 -4.744 -4.281 1.00 0.00 O ATOM 1451 CB ASN A 108 -23.343 -7.303 -5.944 1.00 0.00 C ATOM 1452 CG ASN A 108 -23.431 -7.887 -7.340 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -22.706 -7.475 -8.245 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -24.323 -8.853 -7.520 1.00 0.00 N ATOM 0 H ASN A 108 -24.693 -4.997 -6.750 1.00 0.00 H new ATOM 0 HA ASN A 108 -25.376 -7.464 -5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -22.555 -6.550 -5.917 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.059 -8.087 -5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -24.428 -9.285 -8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -24.903 -9.163 -6.741 1.00 0.00 H new ATOM 1461 N SER A 109 -24.841 -6.407 -3.092 1.00 0.00 N ATOM 1462 CA SER A 109 -24.678 -5.735 -1.811 1.00 0.00 C ATOM 1463 C SER A 109 -23.204 -5.631 -1.438 1.00 0.00 C ATOM 1464 O SER A 109 -22.784 -4.679 -0.780 1.00 0.00 O ATOM 1465 CB SER A 109 -25.450 -6.481 -0.724 1.00 0.00 C ATOM 1466 OG SER A 109 -26.340 -7.428 -1.288 1.00 0.00 O ATOM 0 H SER A 109 -25.287 -7.322 -3.033 1.00 0.00 H new ATOM 0 HA SER A 109 -25.079 -4.725 -1.898 1.00 0.00 H new ATOM 0 HB2 SER A 109 -24.750 -6.987 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.009 -5.769 -0.117 1.00 0.00 H new ATOM 0 HG SER A 109 -27.183 -7.423 -0.788 1.00 0.00 H new ATOM 1472 N GLY A 110 -22.421 -6.604 -1.885 1.00 0.00 N ATOM 1473 CA GLY A 110 -21.000 -6.602 -1.603 1.00 0.00 C ATOM 1474 C GLY A 110 -20.260 -5.511 -2.352 1.00 0.00 C ATOM 1475 O GLY A 110 -20.457 -5.329 -3.553 1.00 0.00 O ATOM 0 H GLY A 110 -22.746 -7.396 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -20.846 -6.471 -0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.579 -7.571 -1.870 1.00 0.00 H new ATOM 1479 N VAL A 111 -19.410 -4.779 -1.639 1.00 0.00 N ATOM 1480 CA VAL A 111 -18.625 -3.707 -2.244 1.00 0.00 C ATOM 1481 C VAL A 111 -17.147 -3.886 -1.927 1.00 0.00 C ATOM 1482 O VAL A 111 -16.757 -3.937 -0.762 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.076 -2.319 -1.762 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.637 -1.243 -2.744 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.581 -2.278 -1.555 1.00 0.00 C ATOM 0 H VAL A 111 -19.247 -4.908 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 111 -18.786 -3.766 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 111 -18.599 -2.122 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.965 -0.267 -2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.550 -1.251 -2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -19.080 -1.439 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -20.874 -1.285 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.084 -2.502 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -20.866 -3.018 -0.807 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.329 -3.995 -2.968 1.00 0.00 N ATOM 1496 CA LEU A 112 -14.898 -4.203 -2.787 1.00 0.00 C ATOM 1497 C LEU A 112 -14.163 -2.893 -2.541 1.00 0.00 C ATOM 1498 O LEU A 112 -14.112 -2.022 -3.409 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.296 -4.894 -4.012 1.00 0.00 C ATOM 1500 CG LEU A 112 -12.766 -4.994 -4.010 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.257 -5.421 -5.378 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -12.298 -5.965 -2.937 1.00 0.00 C ATOM 0 H LEU A 112 -16.631 -3.943 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.777 -4.838 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.711 -5.899 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.609 -4.354 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.356 -4.009 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.169 -5.487 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.674 -6.395 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.562 -4.688 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.210 -6.024 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -12.631 -5.616 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.717 -6.952 -3.132 1.00 0.00 H new ATOM 1514 N CYS A 113 -13.560 -2.783 -1.366 1.00 0.00 N ATOM 1515 CA CYS A 113 -12.761 -1.621 -1.024 1.00 0.00 C ATOM 1516 C CYS A 113 -11.365 -1.779 -1.603 1.00 0.00 C ATOM 1517 O CYS A 113 -10.565 -2.575 -1.105 1.00 0.00 O ATOM 1518 CB CYS A 113 -12.677 -1.462 0.491 1.00 0.00 C ATOM 1519 SG CYS A 113 -11.491 -0.198 1.052 1.00 0.00 S ATOM 0 H CYS A 113 -13.611 -3.489 -0.632 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.231 -0.731 -1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -13.666 -1.209 0.873 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -12.402 -2.421 0.930 1.00 0.00 H new ATOM 1524 N SER A 114 -11.096 -1.057 -2.682 1.00 0.00 N ATOM 1525 CA SER A 114 -9.810 -1.147 -3.355 1.00 0.00 C ATOM 1526 C SER A 114 -9.400 0.194 -3.950 1.00 0.00 C ATOM 1527 O SER A 114 -10.223 1.096 -4.107 1.00 0.00 O ATOM 1528 CB SER A 114 -9.866 -2.211 -4.455 1.00 0.00 C ATOM 1529 OG SER A 114 -10.237 -1.644 -5.699 1.00 0.00 O ATOM 0 H SER A 114 -11.752 -0.403 -3.109 1.00 0.00 H new ATOM 0 HA SER A 114 -9.063 -1.431 -2.614 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.893 -2.693 -4.548 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.580 -2.986 -4.178 1.00 0.00 H new ATOM 0 HG SER A 114 -10.263 -2.345 -6.383 1.00 0.00 H new ATOM 1535 N GLY A 115 -8.118 0.315 -4.272 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.600 1.543 -4.850 1.00 0.00 C ATOM 1537 C GLY A 115 -8.073 2.783 -4.115 1.00 0.00 C ATOM 1538 O GLY A 115 -8.211 3.850 -4.713 1.00 0.00 O ATOM 0 H GLY A 115 -7.423 -0.420 -4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.510 1.513 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.907 1.606 -5.894 1.00 0.00 H new ATOM 1542 N GLY A 116 -8.317 2.645 -2.816 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.784 3.769 -2.029 1.00 0.00 C ATOM 1544 C GLY A 116 -10.201 4.179 -2.385 1.00 0.00 C ATOM 1545 O GLY A 116 -10.643 5.275 -2.039 1.00 0.00 O ATOM 0 H GLY A 116 -8.200 1.776 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.739 3.511 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.115 4.617 -2.179 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.916 3.297 -3.080 1.00 0.00 N ATOM 1550 CA GLU A 117 -12.292 3.565 -3.475 1.00 0.00 C ATOM 1551 C GLU A 117 -13.137 2.305 -3.360 1.00 0.00 C ATOM 1552 O GLU A 117 -12.651 1.254 -2.941 1.00 0.00 O ATOM 1553 CB GLU A 117 -12.344 4.097 -4.908 1.00 0.00 C ATOM 1554 CG GLU A 117 -12.031 3.047 -5.961 1.00 0.00 C ATOM 1555 CD GLU A 117 -11.305 3.622 -7.161 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -11.943 3.772 -8.225 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -10.099 3.923 -7.038 1.00 0.00 O ATOM 0 H GLU A 117 -10.562 2.389 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.697 4.322 -2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.336 4.506 -5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.636 4.920 -5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.422 2.261 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.959 2.582 -6.292 1.00 0.00 H new ATOM 1564 N TRP A 118 -14.401 2.412 -3.745 1.00 0.00 N ATOM 1565 CA TRP A 118 -15.316 1.286 -3.673 1.00 0.00 C ATOM 1566 C TRP A 118 -15.819 0.899 -5.057 1.00 0.00 C ATOM 1567 O TRP A 118 -16.012 1.755 -5.921 1.00 0.00 O ATOM 1568 CB TRP A 118 -16.488 1.636 -2.763 1.00 0.00 C ATOM 1569 CG TRP A 118 -16.085 1.786 -1.331 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.668 2.930 -0.716 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -16.025 0.752 -0.342 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.366 2.675 0.598 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.578 1.346 0.851 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.315 -0.616 -0.345 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.412 0.623 2.026 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.150 -1.334 0.825 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -15.708 -0.710 1.999 1.00 0.00 C ATOM 0 H TRP A 118 -14.815 3.269 -4.111 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.781 0.430 -3.261 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.944 2.564 -3.106 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -17.248 0.859 -2.842 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -15.587 3.895 -1.194 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -15.037 3.363 1.276 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.661 -1.103 -1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.061 1.099 2.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -16.365 -2.392 0.834 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -15.599 -1.295 2.900 1.00 0.00 H new ATOM 1588 N SER A 119 -16.021 -0.397 -5.264 1.00 0.00 N ATOM 1589 CA SER A 119 -16.486 -0.897 -6.549 1.00 0.00 C ATOM 1590 C SER A 119 -17.679 -1.830 -6.381 1.00 0.00 C ATOM 1591 O SER A 119 -17.781 -2.559 -5.392 1.00 0.00 O ATOM 1592 CB SER A 119 -15.354 -1.629 -7.273 1.00 0.00 C ATOM 1593 OG SER A 119 -14.243 -1.825 -6.416 1.00 0.00 O ATOM 0 H SER A 119 -15.870 -1.118 -4.559 1.00 0.00 H new ATOM 0 HA SER A 119 -16.803 -0.041 -7.145 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.713 -2.593 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 119 -15.046 -1.055 -8.147 1.00 0.00 H new ATOM 0 HG SER A 119 -13.534 -2.296 -6.902 1.00 0.00 H new ATOM 1599 N ASP A 120 -18.574 -1.806 -7.364 1.00 0.00 N ATOM 1600 CA ASP A 120 -19.755 -2.661 -7.363 1.00 0.00 C ATOM 1601 C ASP A 120 -20.803 -2.196 -6.351 1.00 0.00 C ATOM 1602 O ASP A 120 -21.374 -3.009 -5.626 1.00 0.00 O ATOM 1603 CB ASP A 120 -19.355 -4.107 -7.068 1.00 0.00 C ATOM 1604 CG ASP A 120 -19.922 -5.083 -8.080 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -20.889 -4.716 -8.780 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -19.400 -6.213 -8.171 1.00 0.00 O ATOM 0 H ASP A 120 -18.501 -1.197 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 120 -20.203 -2.597 -8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -18.268 -4.186 -7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -19.701 -4.380 -6.071 1.00 0.00 H new ATOM 1611 N PRO A 121 -21.103 -0.885 -6.313 1.00 0.00 N ATOM 1612 CA PRO A 121 -22.122 -0.340 -5.414 1.00 0.00 C ATOM 1613 C PRO A 121 -23.530 -0.644 -5.921 1.00 0.00 C ATOM 1614 O PRO A 121 -23.803 -0.519 -7.114 1.00 0.00 O ATOM 1615 CB PRO A 121 -21.849 1.162 -5.446 1.00 0.00 C ATOM 1616 CG PRO A 121 -21.265 1.406 -6.795 1.00 0.00 C ATOM 1617 CD PRO A 121 -20.492 0.162 -7.154 1.00 0.00 C ATOM 0 HA PRO A 121 -22.073 -0.767 -4.412 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -22.765 1.735 -5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -21.159 1.457 -4.655 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -22.048 1.602 -7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -20.613 2.279 -6.784 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -20.582 -0.073 -8.215 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -19.429 0.276 -6.942 1.00 0.00 H new ATOM 1625 N PRO A 122 -24.442 -1.067 -5.030 1.00 0.00 N ATOM 1626 CA PRO A 122 -25.802 -1.423 -5.411 1.00 0.00 C ATOM 1627 C PRO A 122 -26.776 -0.262 -5.332 1.00 0.00 C ATOM 1628 O PRO A 122 -26.397 0.878 -5.071 1.00 0.00 O ATOM 1629 CB PRO A 122 -26.177 -2.476 -4.377 1.00 0.00 C ATOM 1630 CG PRO A 122 -25.363 -2.152 -3.162 1.00 0.00 C ATOM 1631 CD PRO A 122 -24.216 -1.272 -3.591 1.00 0.00 C ATOM 0 HA PRO A 122 -25.850 -1.755 -6.448 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -27.244 -2.445 -4.154 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.956 -3.479 -4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.976 -1.644 -2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.990 -3.065 -2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -24.214 -0.326 -3.049 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -23.255 -1.750 -3.402 1.00 0.00 H new ATOM 1639 N THR A 123 -28.042 -0.584 -5.545 1.00 0.00 N ATOM 1640 CA THR A 123 -29.116 0.396 -5.462 1.00 0.00 C ATOM 1641 C THR A 123 -30.223 -0.130 -4.562 1.00 0.00 C ATOM 1642 O THR A 123 -30.012 -1.067 -3.793 1.00 0.00 O ATOM 1643 CB THR A 123 -29.673 0.711 -6.853 1.00 0.00 C ATOM 1644 OG1 THR A 123 -28.828 0.186 -7.862 1.00 0.00 O ATOM 1645 CG2 THR A 123 -29.833 2.193 -7.113 1.00 0.00 C ATOM 0 H THR A 123 -28.354 -1.526 -5.779 1.00 0.00 H new ATOM 0 HA THR A 123 -28.715 1.317 -5.039 1.00 0.00 H new ATOM 0 HB THR A 123 -30.658 0.246 -6.881 1.00 0.00 H new ATOM 0 HG1 THR A 123 -29.201 0.396 -8.743 1.00 0.00 H new ATOM 0 HG21 THR A 123 -30.232 2.345 -8.116 1.00 0.00 H new ATOM 0 HG22 THR A 123 -30.519 2.619 -6.381 1.00 0.00 H new ATOM 0 HG23 THR A 123 -28.863 2.684 -7.030 1.00 0.00 H new ATOM 1653 N CYS A 124 -31.401 0.465 -4.661 1.00 0.00 N ATOM 1654 CA CYS A 124 -32.530 0.030 -3.855 1.00 0.00 C ATOM 1655 C CYS A 124 -33.846 0.420 -4.511 1.00 0.00 C ATOM 1656 O CYS A 124 -34.369 1.511 -4.286 1.00 0.00 O ATOM 1657 CB CYS A 124 -32.439 0.622 -2.448 1.00 0.00 C ATOM 1658 SG CYS A 124 -31.436 -0.369 -1.294 1.00 0.00 S ATOM 0 H CYS A 124 -31.600 1.245 -5.287 1.00 0.00 H new ATOM 0 HA CYS A 124 -32.497 -1.057 -3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -32.016 1.625 -2.513 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -33.445 0.726 -2.042 1.00 0.00 H new ATOM 1663 N GLN A 125 -34.369 -0.482 -5.332 1.00 0.00 N ATOM 1664 CA GLN A 125 -35.617 -0.243 -6.034 1.00 0.00 C ATOM 1665 C GLN A 125 -36.673 -1.260 -5.627 1.00 0.00 C ATOM 1666 O GLN A 125 -36.358 -2.328 -5.102 1.00 0.00 O ATOM 1667 CB GLN A 125 -35.393 -0.307 -7.545 1.00 0.00 C ATOM 1668 CG GLN A 125 -35.015 1.029 -8.158 1.00 0.00 C ATOM 1669 CD GLN A 125 -34.302 0.881 -9.488 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -34.933 0.856 -10.544 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -32.978 0.781 -9.442 1.00 0.00 N ATOM 0 H GLN A 125 -33.944 -1.388 -5.527 1.00 0.00 H new ATOM 0 HA GLN A 125 -35.972 0.752 -5.764 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -34.606 -1.031 -7.757 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -36.301 -0.674 -8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -35.915 1.628 -8.297 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -34.374 1.574 -7.465 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -32.496 0.807 -8.544 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -32.444 0.679 -10.305 1.00 0.00 H new ATOM 1680 N ILE A 126 -37.926 -0.918 -5.881 1.00 0.00 N ATOM 1681 CA ILE A 126 -39.042 -1.791 -5.549 1.00 0.00 C ATOM 1682 C ILE A 126 -39.356 -2.738 -6.701 1.00 0.00 C ATOM 1683 O ILE A 126 -40.443 -2.695 -7.277 1.00 0.00 O ATOM 1684 CB ILE A 126 -40.299 -0.975 -5.200 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -40.000 -0.026 -4.039 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -41.461 -1.897 -4.862 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -39.911 -0.716 -2.694 1.00 0.00 C ATOM 0 H ILE A 126 -38.197 -0.037 -6.318 1.00 0.00 H new ATOM 0 HA ILE A 126 -38.747 -2.376 -4.678 1.00 0.00 H new ATOM 0 HB ILE A 126 -40.585 -0.382 -6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -39.060 0.489 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -40.778 0.736 -3.995 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -42.340 -1.300 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -41.681 -2.534 -5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -41.196 -2.518 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -39.697 0.021 -1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -40.859 -1.208 -2.474 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -39.114 -1.459 -2.718 1.00 0.00 H new TER 1699 ILE A 126