USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 855 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 68 ASN : amide:sc= -0.564 K(o=-0.55,f=-4.8!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ 178:sc= 0.00942 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0928 (180deg=0) USER MOD Single : A 2 SER OG : rot 29:sc= 1.02 USER MOD Single : A 3 SER OG : rot 180:sc= -0.103 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.288 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -54:sc= 0.522 USER MOD Single : A 21 ASN : amide:sc= -0.0599 K(o=-0.06,f=-0.93) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.256 K(o=-0.26,f=-3!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00107 X(o=-0.0011,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= 0.482 (180deg=0.335) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 150:sc= -0.997 USER MOD Single : A 50 GLN : amide:sc= -0.055 K(o=-0.055,f=-1.6!) USER MOD Single : A 59 TYR OH : rot 165:sc= -0.0901 USER MOD Single : A 62 TYR OH : rot 0:sc= -0.817 USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -0.523 (180deg=-1.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0655 USER MOD Single : A 70 CYS SG : rot -100:sc= -4.14! USER MOD Single : A 71 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-2!) USER MOD Single : A 73 GLN : amide:sc= -3.25! C(o=-3.3!,f=-4.1!) USER MOD Single : A 80 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.081) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -127:sc= 1.5 (180deg=0.148) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= -0.119 (180deg=-0.666) USER MOD Single : A 96 TYR OH : rot 36:sc= 0.101 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 117:sc= 1.26 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.845 42.017 -10.671 1.00 0.00 N ATOM 2 CA GLY A 1 5.626 41.061 -11.740 1.00 0.00 C ATOM 3 C GLY A 1 5.180 41.724 -13.028 1.00 0.00 C ATOM 4 O GLY A 1 5.049 42.946 -13.093 1.00 0.00 O ATOM 0 H1 GLY A 1 6.824 41.938 -10.330 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.679 42.980 -11.027 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.189 41.819 -9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.546 40.505 -11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.873 40.337 -11.428 1.00 0.00 H new ATOM 8 N SER A 2 4.947 40.916 -14.058 1.00 0.00 N ATOM 9 CA SER A 2 4.518 41.432 -15.353 1.00 0.00 C ATOM 10 C SER A 2 3.886 40.328 -16.195 1.00 0.00 C ATOM 11 O SER A 2 4.092 39.142 -15.940 1.00 0.00 O ATOM 12 CB SER A 2 5.705 42.044 -16.100 1.00 0.00 C ATOM 13 OG SER A 2 5.972 43.359 -15.645 1.00 0.00 O ATOM 0 H SER A 2 5.048 39.902 -14.021 1.00 0.00 H new ATOM 0 HA SER A 2 3.770 42.205 -15.179 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.588 41.421 -15.958 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.495 42.062 -17.170 1.00 0.00 H new ATOM 0 HG SER A 2 5.703 43.441 -14.706 1.00 0.00 H new ATOM 19 N SER A 3 3.115 40.729 -17.201 1.00 0.00 N ATOM 20 CA SER A 3 2.449 39.775 -18.080 1.00 0.00 C ATOM 21 C SER A 3 2.164 40.399 -19.443 1.00 0.00 C ATOM 22 O SER A 3 2.170 41.620 -19.593 1.00 0.00 O ATOM 23 CB SER A 3 1.144 39.290 -17.446 1.00 0.00 C ATOM 24 OG SER A 3 1.386 38.653 -16.204 1.00 0.00 O ATOM 0 H SER A 3 2.936 41.707 -17.427 1.00 0.00 H new ATOM 0 HA SER A 3 3.115 38.923 -18.222 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.471 40.135 -17.300 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.643 38.597 -18.122 1.00 0.00 H new ATOM 0 HG SER A 3 0.536 38.354 -15.819 1.00 0.00 H new ATOM 30 N GLY A 4 1.915 39.549 -20.435 1.00 0.00 N ATOM 31 CA GLY A 4 1.632 40.035 -21.774 1.00 0.00 C ATOM 32 C GLY A 4 0.509 39.267 -22.443 1.00 0.00 C ATOM 33 O GLY A 4 -0.281 38.602 -21.774 1.00 0.00 O ATOM 0 H GLY A 4 1.904 38.534 -20.336 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.367 41.091 -21.726 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.533 39.960 -22.383 1.00 0.00 H new ATOM 37 N SER A 5 0.438 39.361 -23.767 1.00 0.00 N ATOM 38 CA SER A 5 -0.600 38.674 -24.527 1.00 0.00 C ATOM 39 C SER A 5 0.006 37.601 -25.426 1.00 0.00 C ATOM 40 O SER A 5 1.187 37.654 -25.766 1.00 0.00 O ATOM 41 CB SER A 5 -1.391 39.676 -25.370 1.00 0.00 C ATOM 42 OG SER A 5 -2.708 39.212 -25.611 1.00 0.00 O ATOM 0 H SER A 5 1.086 39.906 -24.335 1.00 0.00 H new ATOM 0 HA SER A 5 -1.275 38.192 -23.820 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.429 40.637 -24.858 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.881 39.841 -26.319 1.00 0.00 H new ATOM 0 HG SER A 5 -3.193 39.871 -26.150 1.00 0.00 H new ATOM 48 N SER A 6 -0.814 36.626 -25.808 1.00 0.00 N ATOM 49 CA SER A 6 -0.360 35.537 -26.665 1.00 0.00 C ATOM 50 C SER A 6 -0.926 35.682 -28.074 1.00 0.00 C ATOM 51 O SER A 6 -0.182 35.752 -29.050 1.00 0.00 O ATOM 52 CB SER A 6 -0.772 34.188 -26.073 1.00 0.00 C ATOM 53 OG SER A 6 0.203 33.710 -25.163 1.00 0.00 O ATOM 0 H SER A 6 -1.796 36.568 -25.537 1.00 0.00 H new ATOM 0 HA SER A 6 0.727 35.583 -26.723 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.731 34.289 -25.564 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.912 33.463 -26.875 1.00 0.00 H new ATOM 0 HG SER A 6 -0.085 32.848 -24.798 1.00 0.00 H new ATOM 59 N GLY A 7 -2.252 35.726 -28.170 1.00 0.00 N ATOM 60 CA GLY A 7 -2.897 35.862 -29.463 1.00 0.00 C ATOM 61 C GLY A 7 -3.787 34.680 -29.794 1.00 0.00 C ATOM 62 O GLY A 7 -4.070 33.847 -28.932 1.00 0.00 O ATOM 0 H GLY A 7 -2.890 35.670 -27.376 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.492 36.775 -29.475 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.136 35.968 -30.236 1.00 0.00 H new ATOM 66 N ILE A 8 -4.230 34.607 -31.044 1.00 0.00 N ATOM 67 CA ILE A 8 -5.093 33.518 -31.486 1.00 0.00 C ATOM 68 C ILE A 8 -4.698 33.033 -32.877 1.00 0.00 C ATOM 69 O ILE A 8 -4.376 33.833 -33.756 1.00 0.00 O ATOM 70 CB ILE A 8 -6.573 33.945 -31.505 1.00 0.00 C ATOM 71 CG1 ILE A 8 -7.007 34.418 -30.116 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.450 32.796 -31.977 1.00 0.00 C ATOM 73 CD1 ILE A 8 -8.201 35.347 -30.139 1.00 0.00 C ATOM 0 H ILE A 8 -4.006 35.289 -31.769 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.967 32.705 -30.771 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.688 34.774 -32.203 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.245 33.549 -29.503 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.171 34.926 -29.637 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.493 33.114 -31.985 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.153 32.501 -32.983 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.334 31.948 -31.302 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.452 35.642 -29.120 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.960 36.234 -30.725 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.052 34.835 -30.589 1.00 0.00 H new ATOM 85 N ASP A 9 -4.727 31.719 -33.069 1.00 0.00 N ATOM 86 CA ASP A 9 -4.375 31.127 -34.354 1.00 0.00 C ATOM 87 C ASP A 9 -4.730 29.644 -34.385 1.00 0.00 C ATOM 88 O ASP A 9 -4.898 29.014 -33.340 1.00 0.00 O ATOM 89 CB ASP A 9 -2.882 31.312 -34.634 1.00 0.00 C ATOM 90 CG ASP A 9 -2.575 32.653 -35.272 1.00 0.00 C ATOM 91 OD1 ASP A 9 -3.047 32.894 -36.402 1.00 0.00 O ATOM 92 OD2 ASP A 9 -1.862 33.460 -34.640 1.00 0.00 O ATOM 0 H ASP A 9 -4.991 31.044 -32.351 1.00 0.00 H new ATOM 0 HA ASP A 9 -4.948 31.636 -35.129 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.326 31.221 -33.701 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.536 30.513 -35.290 1.00 0.00 H new ATOM 97 N SER A 10 -4.845 29.092 -35.589 1.00 0.00 N ATOM 98 CA SER A 10 -5.186 27.684 -35.755 1.00 0.00 C ATOM 99 C SER A 10 -3.963 26.876 -36.178 1.00 0.00 C ATOM 100 O SER A 10 -3.062 27.391 -36.840 1.00 0.00 O ATOM 101 CB SER A 10 -6.299 27.527 -36.793 1.00 0.00 C ATOM 102 OG SER A 10 -7.575 27.707 -36.203 1.00 0.00 O ATOM 0 H SER A 10 -4.707 29.598 -36.464 1.00 0.00 H new ATOM 0 HA SER A 10 -5.537 27.304 -34.796 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.159 28.253 -37.594 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.241 26.538 -37.247 1.00 0.00 H new ATOM 0 HG SER A 10 -8.269 27.603 -36.887 1.00 0.00 H new ATOM 108 N GLY A 11 -3.939 25.604 -35.791 1.00 0.00 N ATOM 109 CA GLY A 11 -2.823 24.744 -36.138 1.00 0.00 C ATOM 110 C GLY A 11 -2.491 23.754 -35.039 1.00 0.00 C ATOM 111 O GLY A 11 -2.353 22.556 -35.293 1.00 0.00 O ATOM 0 H GLY A 11 -4.673 25.154 -35.243 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.058 24.201 -37.053 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.947 25.358 -36.347 1.00 0.00 H new ATOM 115 N LEU A 12 -2.360 24.252 -33.815 1.00 0.00 N ATOM 116 CA LEU A 12 -2.039 23.403 -32.673 1.00 0.00 C ATOM 117 C LEU A 12 -3.228 22.525 -32.297 1.00 0.00 C ATOM 118 O LEU A 12 -4.238 23.013 -31.790 1.00 0.00 O ATOM 119 CB LEU A 12 -1.625 24.260 -31.475 1.00 0.00 C ATOM 120 CG LEU A 12 -0.226 24.873 -31.540 1.00 0.00 C ATOM 121 CD1 LEU A 12 -0.199 26.041 -32.514 1.00 0.00 C ATOM 122 CD2 LEU A 12 0.225 25.320 -30.157 1.00 0.00 C ATOM 0 H LEU A 12 -2.471 25.240 -33.587 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.207 22.757 -32.954 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.349 25.067 -31.364 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.690 23.647 -30.576 1.00 0.00 H new ATOM 0 HG LEU A 12 0.467 24.112 -31.898 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.805 26.464 -32.547 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.478 25.692 -33.508 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.904 26.805 -32.186 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.223 25.754 -30.222 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.470 26.065 -29.771 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.246 24.461 -29.486 1.00 0.00 H new ATOM 134 N SER A 13 -3.100 21.226 -32.548 1.00 0.00 N ATOM 135 CA SER A 13 -4.165 20.279 -32.238 1.00 0.00 C ATOM 136 C SER A 13 -4.840 20.634 -30.916 1.00 0.00 C ATOM 137 O SER A 13 -4.201 21.086 -29.965 1.00 0.00 O ATOM 138 CB SER A 13 -3.607 18.856 -32.172 1.00 0.00 C ATOM 139 OG SER A 13 -4.540 17.969 -31.578 1.00 0.00 O ATOM 0 H SER A 13 -2.270 20.805 -32.965 1.00 0.00 H new ATOM 0 HA SER A 13 -4.909 20.334 -33.033 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.362 18.511 -33.177 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.680 18.852 -31.598 1.00 0.00 H new ATOM 0 HG SER A 13 -4.160 17.066 -31.549 1.00 0.00 H new ATOM 145 N PRO A 14 -6.163 20.425 -30.854 1.00 0.00 N ATOM 146 CA PRO A 14 -6.955 20.715 -29.654 1.00 0.00 C ATOM 147 C PRO A 14 -6.650 19.753 -28.511 1.00 0.00 C ATOM 148 O PRO A 14 -6.094 18.676 -28.726 1.00 0.00 O ATOM 149 CB PRO A 14 -8.398 20.539 -30.131 1.00 0.00 C ATOM 150 CG PRO A 14 -8.305 19.599 -31.282 1.00 0.00 C ATOM 151 CD PRO A 14 -6.989 19.889 -31.949 1.00 0.00 C ATOM 0 HA PRO A 14 -6.742 21.706 -29.254 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.030 20.135 -29.340 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.834 21.491 -30.432 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.352 18.564 -30.945 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.134 19.746 -31.974 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.550 18.989 -32.380 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.099 20.610 -32.759 1.00 0.00 H new ATOM 159 N SER A 15 -7.018 20.148 -27.297 1.00 0.00 N ATOM 160 CA SER A 15 -6.781 19.321 -26.119 1.00 0.00 C ATOM 161 C SER A 15 -8.053 19.180 -25.290 1.00 0.00 C ATOM 162 O SER A 15 -9.111 19.687 -25.663 1.00 0.00 O ATOM 163 CB SER A 15 -5.665 19.924 -25.264 1.00 0.00 C ATOM 164 OG SER A 15 -5.804 21.330 -25.161 1.00 0.00 O ATOM 0 H SER A 15 -7.482 21.036 -27.103 1.00 0.00 H new ATOM 0 HA SER A 15 -6.476 18.330 -26.456 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.685 19.480 -24.269 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.696 19.682 -25.702 1.00 0.00 H new ATOM 0 HG SER A 15 -5.080 21.691 -24.608 1.00 0.00 H new ATOM 170 N VAL A 16 -7.942 18.486 -24.161 1.00 0.00 N ATOM 171 CA VAL A 16 -9.082 18.277 -23.277 1.00 0.00 C ATOM 172 C VAL A 16 -9.200 19.405 -22.257 1.00 0.00 C ATOM 173 O VAL A 16 -10.207 19.520 -21.556 1.00 0.00 O ATOM 174 CB VAL A 16 -8.975 16.934 -22.530 1.00 0.00 C ATOM 175 CG1 VAL A 16 -9.107 15.771 -23.502 1.00 0.00 C ATOM 176 CG2 VAL A 16 -7.664 16.854 -21.764 1.00 0.00 C ATOM 0 H VAL A 16 -7.074 18.059 -23.838 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.972 18.264 -23.906 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.793 16.871 -21.812 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.029 14.830 -22.957 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.075 15.822 -24.001 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.312 15.826 -24.246 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.605 15.899 -21.242 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.830 16.939 -22.460 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.616 17.667 -21.039 1.00 0.00 H new ATOM 186 N LEU A 17 -8.167 20.235 -22.180 1.00 0.00 N ATOM 187 CA LEU A 17 -8.154 21.356 -21.246 1.00 0.00 C ATOM 188 C LEU A 17 -8.899 21.004 -19.963 1.00 0.00 C ATOM 189 O LEU A 17 -9.633 21.825 -19.414 1.00 0.00 O ATOM 190 CB LEU A 17 -8.784 22.591 -21.892 1.00 0.00 C ATOM 191 CG LEU A 17 -10.043 22.345 -22.724 1.00 0.00 C ATOM 192 CD1 LEU A 17 -10.905 23.597 -22.770 1.00 0.00 C ATOM 193 CD2 LEU A 17 -9.674 21.897 -24.131 1.00 0.00 C ATOM 0 H LEU A 17 -7.327 20.154 -22.753 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.116 21.575 -20.994 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.027 23.304 -21.104 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.037 23.063 -22.530 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.618 21.550 -22.251 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.797 23.403 -23.366 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.199 23.874 -21.758 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.338 24.413 -23.219 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.583 21.727 -24.709 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.077 22.670 -24.614 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.098 20.973 -24.079 1.00 0.00 H new ATOM 205 N MET A 18 -8.702 19.778 -19.488 1.00 0.00 N ATOM 206 CA MET A 18 -9.353 19.318 -18.267 1.00 0.00 C ATOM 207 C MET A 18 -8.345 19.187 -17.130 1.00 0.00 C ATOM 208 O MET A 18 -7.546 18.252 -17.101 1.00 0.00 O ATOM 209 CB MET A 18 -10.046 17.976 -18.507 1.00 0.00 C ATOM 210 CG MET A 18 -11.480 18.110 -18.993 1.00 0.00 C ATOM 211 SD MET A 18 -12.669 18.178 -17.639 1.00 0.00 S ATOM 212 CE MET A 18 -14.060 17.316 -18.367 1.00 0.00 C ATOM 0 H MET A 18 -8.097 19.086 -19.930 1.00 0.00 H new ATOM 0 HA MET A 18 -10.101 20.058 -17.983 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.474 17.407 -19.240 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.037 17.401 -17.581 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.572 19.012 -19.598 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.720 17.267 -19.640 1.00 0.00 H new ATOM 0 HE1 MET A 18 -14.879 17.275 -17.649 1.00 0.00 H new ATOM 0 HE2 MET A 18 -14.388 17.845 -19.262 1.00 0.00 H new ATOM 0 HE3 MET A 18 -13.761 16.302 -18.634 1.00 0.00 H new ATOM 222 N ALA A 19 -8.387 20.131 -16.195 1.00 0.00 N ATOM 223 CA ALA A 19 -7.479 20.120 -15.056 1.00 0.00 C ATOM 224 C ALA A 19 -7.936 19.120 -13.999 1.00 0.00 C ATOM 225 O ALA A 19 -7.213 18.181 -13.665 1.00 0.00 O ATOM 226 CB ALA A 19 -7.369 21.513 -14.454 1.00 0.00 C ATOM 0 H ALA A 19 -9.041 20.913 -16.205 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.496 19.811 -15.411 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.687 21.489 -13.604 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.988 22.205 -15.205 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.353 21.844 -14.121 1.00 0.00 H new ATOM 232 N SER A 20 -9.140 19.328 -13.476 1.00 0.00 N ATOM 233 CA SER A 20 -9.692 18.447 -12.453 1.00 0.00 C ATOM 234 C SER A 20 -8.741 18.330 -11.266 1.00 0.00 C ATOM 235 O SER A 20 -8.562 17.251 -10.704 1.00 0.00 O ATOM 236 CB SER A 20 -9.968 17.061 -13.039 1.00 0.00 C ATOM 237 OG SER A 20 -10.659 16.243 -12.111 1.00 0.00 O ATOM 0 H SER A 20 -9.752 20.099 -13.744 1.00 0.00 H new ATOM 0 HA SER A 20 -10.630 18.879 -12.103 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.557 17.159 -13.951 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.027 16.586 -13.317 1.00 0.00 H new ATOM 0 HG SER A 20 -10.164 16.217 -11.266 1.00 0.00 H new ATOM 243 N ASN A 21 -8.133 19.451 -10.891 1.00 0.00 N ATOM 244 CA ASN A 21 -7.199 19.475 -9.771 1.00 0.00 C ATOM 245 C ASN A 21 -7.934 19.299 -8.446 1.00 0.00 C ATOM 246 O ASN A 21 -8.974 19.915 -8.214 1.00 0.00 O ATOM 247 CB ASN A 21 -6.415 20.790 -9.761 1.00 0.00 C ATOM 248 CG ASN A 21 -7.305 21.991 -9.506 1.00 0.00 C ATOM 249 OD1 ASN A 21 -8.004 22.462 -10.404 1.00 0.00 O ATOM 250 ND2 ASN A 21 -7.283 22.493 -8.277 1.00 0.00 N ATOM 0 H ASN A 21 -8.270 20.354 -11.346 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.503 18.645 -9.893 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.643 20.744 -8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.907 20.914 -10.717 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.861 23.301 -8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.688 22.070 -7.564 1.00 0.00 H new ATOM 257 N SER A 22 -7.385 18.454 -7.579 1.00 0.00 N ATOM 258 CA SER A 22 -7.989 18.194 -6.277 1.00 0.00 C ATOM 259 C SER A 22 -6.978 18.409 -5.155 1.00 0.00 C ATOM 260 O SER A 22 -5.893 17.829 -5.162 1.00 0.00 O ATOM 261 CB SER A 22 -8.533 16.765 -6.221 1.00 0.00 C ATOM 262 OG SER A 22 -9.627 16.600 -7.108 1.00 0.00 O ATOM 0 H SER A 22 -6.523 17.938 -7.755 1.00 0.00 H new ATOM 0 HA SER A 22 -8.812 18.895 -6.139 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.742 16.061 -6.479 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.847 16.532 -5.204 1.00 0.00 H new ATOM 0 HG SER A 22 -9.955 15.678 -7.055 1.00 0.00 H new ATOM 268 N GLY A 23 -7.343 19.249 -4.192 1.00 0.00 N ATOM 269 CA GLY A 23 -6.458 19.528 -3.076 1.00 0.00 C ATOM 270 C GLY A 23 -6.979 18.967 -1.768 1.00 0.00 C ATOM 271 O GLY A 23 -7.271 19.717 -0.836 1.00 0.00 O ATOM 0 H GLY A 23 -8.236 19.742 -4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.474 19.106 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.329 20.606 -2.980 1.00 0.00 H new ATOM 275 N ARG A 24 -7.099 17.646 -1.698 1.00 0.00 N ATOM 276 CA ARG A 24 -7.592 16.986 -0.495 1.00 0.00 C ATOM 277 C ARG A 24 -6.795 15.717 -0.206 1.00 0.00 C ATOM 278 O ARG A 24 -6.327 15.043 -1.124 1.00 0.00 O ATOM 279 CB ARG A 24 -9.076 16.646 -0.646 1.00 0.00 C ATOM 280 CG ARG A 24 -9.345 15.511 -1.621 1.00 0.00 C ATOM 281 CD ARG A 24 -10.708 15.654 -2.279 1.00 0.00 C ATOM 282 NE ARG A 24 -11.088 14.452 -3.017 1.00 0.00 N ATOM 283 CZ ARG A 24 -12.267 14.294 -3.607 1.00 0.00 C ATOM 284 NH1 ARG A 24 -13.177 15.256 -3.546 1.00 0.00 N ATOM 285 NH2 ARG A 24 -12.539 13.171 -4.260 1.00 0.00 N ATOM 0 H ARG A 24 -6.862 17.011 -2.460 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.467 17.672 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.480 16.378 0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.612 17.535 -0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.570 15.496 -2.387 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.292 14.558 -1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.458 15.864 -1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.695 16.507 -2.957 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.410 13.692 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.972 16.121 -3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.082 15.132 -4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.842 12.428 -4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.445 13.051 -4.713 1.00 0.00 H new ATOM 299 N ARG A 25 -6.646 15.397 1.076 1.00 0.00 N ATOM 300 CA ARG A 25 -5.905 14.210 1.486 1.00 0.00 C ATOM 301 C ARG A 25 -6.846 13.029 1.700 1.00 0.00 C ATOM 302 O ARG A 25 -6.824 12.059 0.942 1.00 0.00 O ATOM 303 CB ARG A 25 -5.121 14.491 2.769 1.00 0.00 C ATOM 304 CG ARG A 25 -3.877 13.631 2.922 1.00 0.00 C ATOM 305 CD ARG A 25 -4.208 12.275 3.525 1.00 0.00 C ATOM 306 NE ARG A 25 -3.037 11.404 3.588 1.00 0.00 N ATOM 307 CZ ARG A 25 -2.570 10.724 2.546 1.00 0.00 C ATOM 308 NH1 ARG A 25 -3.170 10.815 1.368 1.00 0.00 N ATOM 309 NH2 ARG A 25 -1.499 9.952 2.683 1.00 0.00 N ATOM 0 H ARG A 25 -7.029 15.943 1.848 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.206 13.955 0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.831 15.541 2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.773 14.328 3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.407 13.492 1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.154 14.145 3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.612 12.413 4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.986 11.794 2.932 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.551 11.313 4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.993 11.408 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.809 10.292 0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.034 9.881 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.141 9.430 1.883 1.00 0.00 H new ATOM 323 N SER A 26 -7.672 13.117 2.738 1.00 0.00 N ATOM 324 CA SER A 26 -8.618 12.054 3.055 1.00 0.00 C ATOM 325 C SER A 26 -9.699 11.952 1.984 1.00 0.00 C ATOM 326 O SER A 26 -10.272 12.958 1.567 1.00 0.00 O ATOM 327 CB SER A 26 -9.259 12.303 4.422 1.00 0.00 C ATOM 328 OG SER A 26 -8.277 12.370 5.441 1.00 0.00 O ATOM 0 H SER A 26 -7.705 13.914 3.374 1.00 0.00 H new ATOM 0 HA SER A 26 -8.071 11.112 3.085 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.826 13.234 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.966 11.505 4.646 1.00 0.00 H new ATOM 0 HG SER A 26 -8.712 12.531 6.304 1.00 0.00 H new ATOM 334 N ALA A 27 -9.973 10.728 1.544 1.00 0.00 N ATOM 335 CA ALA A 27 -10.987 10.493 0.523 1.00 0.00 C ATOM 336 C ALA A 27 -11.615 9.113 0.681 1.00 0.00 C ATOM 337 O ALA A 27 -11.031 8.201 1.268 1.00 0.00 O ATOM 338 CB ALA A 27 -10.383 10.644 -0.865 1.00 0.00 C ATOM 0 H ALA A 27 -9.507 9.884 1.878 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.773 11.238 0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.151 10.466 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.988 11.653 -0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.577 9.921 -0.992 1.00 0.00 H new ATOM 344 N PRO A 28 -12.835 8.952 0.147 1.00 0.00 N ATOM 345 CA PRO A 28 -13.569 7.685 0.216 1.00 0.00 C ATOM 346 C PRO A 28 -12.939 6.602 -0.652 1.00 0.00 C ATOM 347 O PRO A 28 -12.082 6.868 -1.494 1.00 0.00 O ATOM 348 CB PRO A 28 -14.959 8.051 -0.310 1.00 0.00 C ATOM 349 CG PRO A 28 -14.733 9.236 -1.184 1.00 0.00 C ATOM 350 CD PRO A 28 -13.591 9.995 -0.566 1.00 0.00 C ATOM 0 HA PRO A 28 -13.575 7.272 1.225 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.401 7.226 -0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.642 8.286 0.506 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.492 8.930 -2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.628 9.856 -1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.980 10.488 -1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.945 10.770 0.113 1.00 0.00 H new ATOM 358 N PRO A 29 -13.373 5.349 -0.445 1.00 0.00 N ATOM 359 CA PRO A 29 -12.865 4.201 -1.200 1.00 0.00 C ATOM 360 C PRO A 29 -13.315 4.220 -2.657 1.00 0.00 C ATOM 361 O PRO A 29 -14.348 4.801 -2.991 1.00 0.00 O ATOM 362 CB PRO A 29 -13.470 3.000 -0.470 1.00 0.00 C ATOM 363 CG PRO A 29 -14.700 3.532 0.180 1.00 0.00 C ATOM 364 CD PRO A 29 -14.393 4.959 0.543 1.00 0.00 C ATOM 0 HA PRO A 29 -11.776 4.189 -1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.706 2.193 -1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.777 2.594 0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.554 3.476 -0.496 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.956 2.950 1.066 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.279 5.590 0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.018 5.043 1.563 1.00 0.00 H new ATOM 372 N LEU A 30 -12.534 3.581 -3.521 1.00 0.00 N ATOM 373 CA LEU A 30 -12.853 3.524 -4.944 1.00 0.00 C ATOM 374 C LEU A 30 -14.122 2.714 -5.185 1.00 0.00 C ATOM 375 O LEU A 30 -14.265 1.601 -4.682 1.00 0.00 O ATOM 376 CB LEU A 30 -11.688 2.913 -5.724 1.00 0.00 C ATOM 377 CG LEU A 30 -11.675 3.178 -7.230 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.325 2.812 -7.825 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.791 2.405 -7.917 1.00 0.00 C ATOM 0 H LEU A 30 -11.676 3.095 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.022 4.542 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.757 3.290 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.697 1.835 -5.565 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.844 4.242 -7.394 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.335 3.007 -8.897 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.545 3.411 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.125 1.755 -7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.767 2.606 -8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.654 1.338 -7.744 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.753 2.717 -7.511 1.00 0.00 H new ATOM 391 N ASN A 31 -15.041 3.280 -5.961 1.00 0.00 N ATOM 392 CA ASN A 31 -16.298 2.610 -6.271 1.00 0.00 C ATOM 393 C ASN A 31 -16.063 1.406 -7.179 1.00 0.00 C ATOM 394 O ASN A 31 -16.183 1.503 -8.401 1.00 0.00 O ATOM 395 CB ASN A 31 -17.269 3.585 -6.939 1.00 0.00 C ATOM 396 CG ASN A 31 -16.644 4.308 -8.116 1.00 0.00 C ATOM 397 OD1 ASN A 31 -15.773 5.161 -7.943 1.00 0.00 O ATOM 398 ND2 ASN A 31 -17.087 3.970 -9.322 1.00 0.00 N ATOM 0 H ASN A 31 -14.938 4.201 -6.387 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.734 2.258 -5.336 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.151 3.041 -7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.608 4.316 -6.205 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.704 4.423 -10.152 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.810 3.257 -9.418 1.00 0.00 H new ATOM 405 N LEU A 32 -15.729 0.272 -6.573 1.00 0.00 N ATOM 406 CA LEU A 32 -15.478 -0.952 -7.326 1.00 0.00 C ATOM 407 C LEU A 32 -16.668 -1.299 -8.214 1.00 0.00 C ATOM 408 O LEU A 32 -16.542 -1.383 -9.436 1.00 0.00 O ATOM 409 CB LEU A 32 -15.184 -2.110 -6.371 1.00 0.00 C ATOM 410 CG LEU A 32 -14.042 -1.889 -5.379 1.00 0.00 C ATOM 411 CD1 LEU A 32 -13.977 -3.031 -4.377 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.717 -1.746 -6.114 1.00 0.00 C ATOM 0 H LEU A 32 -15.626 0.175 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.610 -0.786 -7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.091 -2.329 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.956 -2.995 -6.965 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.234 -0.965 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.158 -2.856 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.917 -3.087 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.809 -3.970 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.916 -1.589 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.518 -2.653 -6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.767 -0.894 -6.791 1.00 0.00 H new ATOM 424 N THR A 33 -17.826 -1.499 -7.592 1.00 0.00 N ATOM 425 CA THR A 33 -19.040 -1.835 -8.325 1.00 0.00 C ATOM 426 C THR A 33 -19.079 -1.131 -9.676 1.00 0.00 C ATOM 427 O THR A 33 -19.340 0.069 -9.754 1.00 0.00 O ATOM 428 CB THR A 33 -20.302 -1.459 -7.525 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.475 -1.801 -8.272 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.315 0.027 -7.203 1.00 0.00 C ATOM 0 H THR A 33 -17.948 -1.434 -6.581 1.00 0.00 H new ATOM 0 HA THR A 33 -19.027 -2.914 -8.481 1.00 0.00 H new ATOM 0 HB THR A 33 -20.292 -2.017 -6.589 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.273 -1.560 -7.756 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.215 0.269 -6.638 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.436 0.278 -6.610 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.303 0.600 -8.130 1.00 0.00 H new ATOM 438 N GLY A 34 -18.819 -1.886 -10.740 1.00 0.00 N ATOM 439 CA GLY A 34 -18.831 -1.316 -12.074 1.00 0.00 C ATOM 440 C GLY A 34 -17.572 -1.639 -12.854 1.00 0.00 C ATOM 441 O GLY A 34 -17.640 -2.123 -13.985 1.00 0.00 O ATOM 0 H GLY A 34 -18.600 -2.882 -10.701 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.698 -1.691 -12.618 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.943 -0.234 -12.002 1.00 0.00 H new ATOM 445 N LEU A 35 -16.419 -1.371 -12.250 1.00 0.00 N ATOM 446 CA LEU A 35 -15.138 -1.635 -12.896 1.00 0.00 C ATOM 447 C LEU A 35 -14.980 -3.120 -13.206 1.00 0.00 C ATOM 448 O LEU A 35 -15.410 -3.987 -12.445 1.00 0.00 O ATOM 449 CB LEU A 35 -13.988 -1.164 -12.004 1.00 0.00 C ATOM 450 CG LEU A 35 -13.672 0.332 -12.050 1.00 0.00 C ATOM 451 CD1 LEU A 35 -12.828 0.736 -10.851 1.00 0.00 C ATOM 452 CD2 LEU A 35 -12.962 0.686 -13.349 1.00 0.00 C ATOM 0 H LEU A 35 -16.345 -0.971 -11.314 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.112 -1.082 -13.835 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.219 -1.435 -10.974 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.089 -1.714 -12.284 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.611 0.885 -12.010 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.613 1.803 -10.901 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.373 0.518 -9.932 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.892 0.177 -10.860 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.745 1.754 -13.365 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.030 0.125 -13.419 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.602 0.433 -14.194 1.00 0.00 H new ATOM 464 N PRO A 36 -14.348 -3.422 -14.350 1.00 0.00 N ATOM 465 CA PRO A 36 -14.116 -4.802 -14.786 1.00 0.00 C ATOM 466 C PRO A 36 -13.091 -5.521 -13.915 1.00 0.00 C ATOM 467 O PRO A 36 -12.061 -4.953 -13.556 1.00 0.00 O ATOM 468 CB PRO A 36 -13.585 -4.639 -16.212 1.00 0.00 C ATOM 469 CG PRO A 36 -12.981 -3.277 -16.238 1.00 0.00 C ATOM 470 CD PRO A 36 -13.810 -2.439 -15.305 1.00 0.00 C ATOM 0 HA PRO A 36 -15.020 -5.408 -14.720 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.846 -5.404 -16.449 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.386 -4.731 -16.946 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.940 -3.306 -15.916 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.992 -2.864 -17.247 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.208 -1.680 -14.805 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.606 -1.916 -15.835 1.00 0.00 H new ATOM 478 N GLY A 37 -13.382 -6.774 -13.579 1.00 0.00 N ATOM 479 CA GLY A 37 -12.476 -7.549 -12.752 1.00 0.00 C ATOM 480 C GLY A 37 -12.990 -7.729 -11.338 1.00 0.00 C ATOM 481 O GLY A 37 -12.531 -8.608 -10.608 1.00 0.00 O ATOM 0 H GLY A 37 -14.229 -7.266 -13.865 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.322 -8.528 -13.206 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.505 -7.055 -12.722 1.00 0.00 H new ATOM 485 N THR A 38 -13.947 -6.893 -10.947 1.00 0.00 N ATOM 486 CA THR A 38 -14.523 -6.962 -9.610 1.00 0.00 C ATOM 487 C THR A 38 -15.047 -8.361 -9.308 1.00 0.00 C ATOM 488 O THR A 38 -15.210 -8.735 -8.148 1.00 0.00 O ATOM 489 CB THR A 38 -15.670 -5.948 -9.440 1.00 0.00 C ATOM 490 OG1 THR A 38 -15.318 -4.702 -10.053 1.00 0.00 O ATOM 491 CG2 THR A 38 -15.980 -5.724 -7.967 1.00 0.00 C ATOM 0 H THR A 38 -14.339 -6.160 -11.538 1.00 0.00 H new ATOM 0 HA THR A 38 -13.725 -6.718 -8.909 1.00 0.00 H new ATOM 0 HB THR A 38 -16.558 -6.353 -9.925 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.717 -4.653 -10.947 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.793 -5.004 -7.872 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.276 -6.668 -7.510 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.094 -5.339 -7.463 1.00 0.00 H new ATOM 499 N GLU A 39 -15.309 -9.129 -10.361 1.00 0.00 N ATOM 500 CA GLU A 39 -15.816 -10.488 -10.207 1.00 0.00 C ATOM 501 C GLU A 39 -14.683 -11.506 -10.306 1.00 0.00 C ATOM 502 O GLU A 39 -14.855 -12.679 -9.975 1.00 0.00 O ATOM 503 CB GLU A 39 -16.877 -10.784 -11.268 1.00 0.00 C ATOM 504 CG GLU A 39 -16.306 -11.344 -12.560 1.00 0.00 C ATOM 505 CD GLU A 39 -17.376 -11.630 -13.596 1.00 0.00 C ATOM 506 OE1 GLU A 39 -18.189 -10.724 -13.874 1.00 0.00 O ATOM 507 OE2 GLU A 39 -17.401 -12.760 -14.128 1.00 0.00 O ATOM 0 H GLU A 39 -15.179 -8.834 -11.329 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.269 -10.569 -9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.597 -11.494 -10.861 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.423 -9.867 -11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.587 -10.636 -12.972 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.761 -12.263 -12.344 1.00 0.00 H new ATOM 514 N LYS A 40 -13.523 -11.048 -10.766 1.00 0.00 N ATOM 515 CA LYS A 40 -12.361 -11.916 -10.910 1.00 0.00 C ATOM 516 C LYS A 40 -11.669 -12.126 -9.567 1.00 0.00 C ATOM 517 O LYS A 40 -11.434 -13.261 -9.149 1.00 0.00 O ATOM 518 CB LYS A 40 -11.374 -11.319 -11.916 1.00 0.00 C ATOM 519 CG LYS A 40 -11.879 -11.338 -13.348 1.00 0.00 C ATOM 520 CD LYS A 40 -10.733 -11.284 -14.344 1.00 0.00 C ATOM 521 CE LYS A 40 -10.264 -12.679 -14.730 1.00 0.00 C ATOM 522 NZ LYS A 40 -8.821 -12.696 -15.100 1.00 0.00 N ATOM 0 H LYS A 40 -13.363 -10.080 -11.045 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.705 -12.883 -11.277 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.155 -10.290 -11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.436 -11.871 -11.863 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.466 -12.241 -13.516 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.545 -10.490 -13.511 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.051 -10.746 -15.237 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.902 -10.725 -13.914 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.434 -13.362 -13.898 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.858 -13.043 -15.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.540 -13.664 -15.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.663 -12.063 -15.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.252 -12.373 -14.292 1.00 0.00 H new ATOM 536 N LEU A 41 -11.347 -11.027 -8.894 1.00 0.00 N ATOM 537 CA LEU A 41 -10.683 -11.090 -7.597 1.00 0.00 C ATOM 538 C LEU A 41 -11.699 -11.286 -6.475 1.00 0.00 C ATOM 539 O LEU A 41 -12.892 -11.446 -6.726 1.00 0.00 O ATOM 540 CB LEU A 41 -9.875 -9.815 -7.352 1.00 0.00 C ATOM 541 CG LEU A 41 -10.475 -8.523 -7.907 1.00 0.00 C ATOM 542 CD1 LEU A 41 -11.916 -8.364 -7.448 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.642 -7.322 -7.482 1.00 0.00 C ATOM 0 H LEU A 41 -11.535 -10.081 -9.225 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.006 -11.945 -7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.739 -9.696 -6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.884 -9.948 -7.786 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.466 -8.579 -8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.327 -7.439 -7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.506 -9.209 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.949 -8.330 -6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.084 -6.411 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.619 -7.262 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.626 -7.431 -7.861 1.00 0.00 H new ATOM 555 N ASN A 42 -11.215 -11.269 -5.237 1.00 0.00 N ATOM 556 CA ASN A 42 -12.081 -11.443 -4.076 1.00 0.00 C ATOM 557 C ASN A 42 -11.985 -10.241 -3.141 1.00 0.00 C ATOM 558 O ASN A 42 -11.110 -9.389 -3.298 1.00 0.00 O ATOM 559 CB ASN A 42 -11.708 -12.721 -3.322 1.00 0.00 C ATOM 560 CG ASN A 42 -11.381 -13.869 -4.257 1.00 0.00 C ATOM 561 OD1 ASN A 42 -12.268 -14.607 -4.686 1.00 0.00 O ATOM 562 ND2 ASN A 42 -10.102 -14.025 -4.578 1.00 0.00 N ATOM 0 H ASN A 42 -10.229 -11.137 -5.012 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.109 -11.525 -4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.850 -12.523 -2.680 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.533 -13.010 -2.671 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.822 -14.780 -5.204 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.400 -13.390 -4.199 1.00 0.00 H new ATOM 569 N GLU A 43 -12.889 -10.180 -2.169 1.00 0.00 N ATOM 570 CA GLU A 43 -12.906 -9.083 -1.209 1.00 0.00 C ATOM 571 C GLU A 43 -11.490 -8.729 -0.763 1.00 0.00 C ATOM 572 O GLU A 43 -11.137 -7.555 -0.649 1.00 0.00 O ATOM 573 CB GLU A 43 -13.759 -9.451 0.006 1.00 0.00 C ATOM 574 CG GLU A 43 -13.502 -10.856 0.526 1.00 0.00 C ATOM 575 CD GLU A 43 -14.490 -11.270 1.600 1.00 0.00 C ATOM 576 OE1 GLU A 43 -15.655 -11.556 1.254 1.00 0.00 O ATOM 577 OE2 GLU A 43 -14.098 -11.307 2.785 1.00 0.00 O ATOM 0 H GLU A 43 -13.619 -10.877 -2.025 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.343 -8.213 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.566 -8.736 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.812 -9.357 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.555 -11.562 -0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.490 -10.912 0.927 1.00 0.00 H new ATOM 584 N LYS A 44 -10.683 -9.754 -0.510 1.00 0.00 N ATOM 585 CA LYS A 44 -9.305 -9.554 -0.076 1.00 0.00 C ATOM 586 C LYS A 44 -8.595 -8.542 -0.969 1.00 0.00 C ATOM 587 O LYS A 44 -8.268 -7.439 -0.533 1.00 0.00 O ATOM 588 CB LYS A 44 -8.547 -10.883 -0.090 1.00 0.00 C ATOM 589 CG LYS A 44 -8.867 -11.779 1.094 1.00 0.00 C ATOM 590 CD LYS A 44 -7.944 -11.501 2.269 1.00 0.00 C ATOM 591 CE LYS A 44 -6.615 -12.225 2.116 1.00 0.00 C ATOM 592 NZ LYS A 44 -5.776 -12.110 3.342 1.00 0.00 N ATOM 0 H LYS A 44 -10.959 -10.732 -0.598 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.323 -9.164 0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.782 -11.416 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.476 -10.681 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.902 -11.625 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.774 -12.824 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.768 -10.428 2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.426 -11.815 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.798 -13.277 1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.073 -11.813 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.791 -12.353 3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.817 -11.135 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.133 -12.762 4.070 1.00 0.00 H new ATOM 606 N GLU A 45 -8.361 -8.925 -2.221 1.00 0.00 N ATOM 607 CA GLU A 45 -7.690 -8.050 -3.174 1.00 0.00 C ATOM 608 C GLU A 45 -8.482 -6.762 -3.381 1.00 0.00 C ATOM 609 O GLU A 45 -7.907 -5.683 -3.530 1.00 0.00 O ATOM 610 CB GLU A 45 -7.501 -8.766 -4.513 1.00 0.00 C ATOM 611 CG GLU A 45 -6.610 -9.993 -4.426 1.00 0.00 C ATOM 612 CD GLU A 45 -6.872 -10.985 -5.543 1.00 0.00 C ATOM 613 OE1 GLU A 45 -6.545 -10.671 -6.706 1.00 0.00 O ATOM 614 OE2 GLU A 45 -7.406 -12.077 -5.252 1.00 0.00 O ATOM 0 H GLU A 45 -8.626 -9.835 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.712 -7.794 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.477 -9.062 -4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.074 -8.067 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.566 -9.682 -4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.766 -10.484 -3.465 1.00 0.00 H new ATOM 621 N LYS A 46 -9.805 -6.883 -3.389 1.00 0.00 N ATOM 622 CA LYS A 46 -10.678 -5.730 -3.576 1.00 0.00 C ATOM 623 C LYS A 46 -10.407 -4.665 -2.519 1.00 0.00 C ATOM 624 O LYS A 46 -10.445 -3.469 -2.807 1.00 0.00 O ATOM 625 CB LYS A 46 -12.145 -6.161 -3.517 1.00 0.00 C ATOM 626 CG LYS A 46 -12.668 -6.722 -4.828 1.00 0.00 C ATOM 627 CD LYS A 46 -13.946 -7.518 -4.624 1.00 0.00 C ATOM 628 CE LYS A 46 -15.138 -6.605 -4.379 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.315 -7.356 -3.861 1.00 0.00 N ATOM 0 H LYS A 46 -10.297 -7.769 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.470 -5.303 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.263 -6.913 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -12.755 -5.305 -3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.854 -5.905 -5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.909 -7.360 -5.280 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.135 -8.137 -5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -13.824 -8.194 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.860 -5.829 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.408 -6.103 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.106 -6.699 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.596 -8.080 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -16.066 -7.814 -2.961 1.00 0.00 H new ATOM 643 N GLU A 47 -10.133 -5.107 -1.296 1.00 0.00 N ATOM 644 CA GLU A 47 -9.855 -4.190 -0.197 1.00 0.00 C ATOM 645 C GLU A 47 -8.738 -3.218 -0.568 1.00 0.00 C ATOM 646 O GLU A 47 -8.733 -2.065 -0.135 1.00 0.00 O ATOM 647 CB GLU A 47 -9.470 -4.969 1.062 1.00 0.00 C ATOM 648 CG GLU A 47 -8.848 -4.105 2.146 1.00 0.00 C ATOM 649 CD GLU A 47 -9.097 -4.648 3.540 1.00 0.00 C ATOM 650 OE1 GLU A 47 -10.215 -5.144 3.792 1.00 0.00 O ATOM 651 OE2 GLU A 47 -8.174 -4.578 4.378 1.00 0.00 O ATOM 0 H GLU A 47 -10.098 -6.094 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.761 -3.617 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.358 -5.457 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.768 -5.758 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.774 -4.032 1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.251 -3.095 2.076 1.00 0.00 H new ATOM 658 N LEU A 48 -7.793 -3.692 -1.373 1.00 0.00 N ATOM 659 CA LEU A 48 -6.670 -2.867 -1.804 1.00 0.00 C ATOM 660 C LEU A 48 -7.102 -1.878 -2.881 1.00 0.00 C ATOM 661 O LEU A 48 -6.613 -0.749 -2.934 1.00 0.00 O ATOM 662 CB LEU A 48 -5.536 -3.748 -2.330 1.00 0.00 C ATOM 663 CG LEU A 48 -4.603 -4.343 -1.275 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.640 -5.333 -1.911 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.839 -3.240 -0.556 1.00 0.00 C ATOM 0 H LEU A 48 -7.782 -4.644 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.314 -2.304 -0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.974 -4.566 -2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.937 -3.159 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.208 -4.876 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.984 -5.746 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.204 -6.140 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.041 -4.824 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.180 -3.682 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.245 -2.679 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.544 -2.569 -0.066 1.00 0.00 H new ATOM 677 N CYS A 49 -8.024 -2.308 -3.736 1.00 0.00 N ATOM 678 CA CYS A 49 -8.524 -1.459 -4.812 1.00 0.00 C ATOM 679 C CYS A 49 -9.172 -0.197 -4.252 1.00 0.00 C ATOM 680 O CYS A 49 -9.247 0.826 -4.932 1.00 0.00 O ATOM 681 CB CYS A 49 -9.531 -2.227 -5.669 1.00 0.00 C ATOM 682 SG CYS A 49 -8.791 -3.510 -6.707 1.00 0.00 S ATOM 0 H CYS A 49 -8.440 -3.239 -3.705 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.678 -1.166 -5.434 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.272 -2.686 -5.015 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.062 -1.521 -6.307 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.646 -4.473 -6.882 1.00 0.00 H new ATOM 688 N GLN A 50 -9.639 -0.279 -3.011 1.00 0.00 N ATOM 689 CA GLN A 50 -10.284 0.857 -2.361 1.00 0.00 C ATOM 690 C GLN A 50 -9.279 1.652 -1.534 1.00 0.00 C ATOM 691 O GLN A 50 -9.025 2.825 -1.806 1.00 0.00 O ATOM 692 CB GLN A 50 -11.431 0.378 -1.470 1.00 0.00 C ATOM 693 CG GLN A 50 -12.430 -0.513 -2.191 1.00 0.00 C ATOM 694 CD GLN A 50 -13.595 -0.916 -1.309 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.546 -0.155 -1.131 1.00 0.00 O ATOM 696 NE2 GLN A 50 -13.526 -2.119 -0.750 1.00 0.00 N ATOM 0 H GLN A 50 -9.583 -1.119 -2.435 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.685 1.509 -3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.018 -0.167 -0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -11.954 1.245 -1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.808 0.009 -3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.921 -1.409 -2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -12.719 -2.717 -0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.280 -2.445 -0.146 1.00 0.00 H new ATOM 705 N VAL A 51 -8.711 1.006 -0.521 1.00 0.00 N ATOM 706 CA VAL A 51 -7.733 1.652 0.346 1.00 0.00 C ATOM 707 C VAL A 51 -6.621 2.302 -0.468 1.00 0.00 C ATOM 708 O VAL A 51 -6.098 3.354 -0.098 1.00 0.00 O ATOM 709 CB VAL A 51 -7.111 0.650 1.336 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.097 1.344 2.232 1.00 0.00 C ATOM 711 CG2 VAL A 51 -8.195 -0.022 2.165 1.00 0.00 C ATOM 0 H VAL A 51 -8.911 0.035 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.266 2.420 0.906 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.590 -0.120 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.668 0.620 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.304 1.774 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.591 2.136 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.738 -0.727 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.746 0.734 2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.880 -0.555 1.505 1.00 0.00 H new ATOM 721 N VAL A 52 -6.262 1.670 -1.581 1.00 0.00 N ATOM 722 CA VAL A 52 -5.212 2.187 -2.450 1.00 0.00 C ATOM 723 C VAL A 52 -5.798 3.022 -3.584 1.00 0.00 C ATOM 724 O VAL A 52 -5.082 3.762 -4.258 1.00 0.00 O ATOM 725 CB VAL A 52 -4.368 1.047 -3.051 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.043 1.581 -3.571 1.00 0.00 C ATOM 727 CG2 VAL A 52 -4.143 -0.049 -2.019 1.00 0.00 C ATOM 0 H VAL A 52 -6.683 0.798 -1.902 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.572 2.816 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.914 0.617 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.460 0.761 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.229 2.328 -4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.488 2.037 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.545 -0.847 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.618 0.364 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.105 -0.451 -1.699 1.00 0.00 H new ATOM 737 N ARG A 53 -7.106 2.897 -3.787 1.00 0.00 N ATOM 738 CA ARG A 53 -7.789 3.640 -4.840 1.00 0.00 C ATOM 739 C ARG A 53 -7.316 3.188 -6.219 1.00 0.00 C ATOM 740 O ARG A 53 -6.910 4.006 -7.046 1.00 0.00 O ATOM 741 CB ARG A 53 -7.548 5.141 -4.673 1.00 0.00 C ATOM 742 CG ARG A 53 -7.846 5.654 -3.273 1.00 0.00 C ATOM 743 CD ARG A 53 -6.996 6.868 -2.932 1.00 0.00 C ATOM 744 NE ARG A 53 -5.583 6.527 -2.795 1.00 0.00 N ATOM 745 CZ ARG A 53 -4.676 7.347 -2.276 1.00 0.00 C ATOM 746 NH1 ARG A 53 -5.033 8.550 -1.848 1.00 0.00 N ATOM 747 NH2 ARG A 53 -3.409 6.965 -2.185 1.00 0.00 N ATOM 0 H ARG A 53 -7.713 2.289 -3.237 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.857 3.439 -4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.510 5.363 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.168 5.682 -5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.902 5.915 -3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.660 4.863 -2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.113 7.622 -3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.354 7.311 -2.002 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.275 5.609 -3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.006 8.848 -1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.335 9.178 -1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.130 6.041 -2.514 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.714 7.596 -1.786 1.00 0.00 H new ATOM 761 N LEU A 54 -7.370 1.883 -6.459 1.00 0.00 N ATOM 762 CA LEU A 54 -6.947 1.322 -7.737 1.00 0.00 C ATOM 763 C LEU A 54 -8.006 0.376 -8.294 1.00 0.00 C ATOM 764 O LEU A 54 -8.602 -0.409 -7.556 1.00 0.00 O ATOM 765 CB LEU A 54 -5.618 0.581 -7.576 1.00 0.00 C ATOM 766 CG LEU A 54 -5.260 -0.404 -8.690 1.00 0.00 C ATOM 767 CD1 LEU A 54 -4.685 0.333 -9.890 1.00 0.00 C ATOM 768 CD2 LEU A 54 -4.277 -1.448 -8.182 1.00 0.00 C ATOM 0 H LEU A 54 -7.703 1.193 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.815 2.144 -8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.820 1.320 -7.501 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.640 0.038 -6.631 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.171 -0.914 -9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.436 -0.384 -10.672 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.421 1.042 -10.268 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.785 0.870 -9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.033 -2.141 -8.988 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.367 -0.955 -7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.725 -1.998 -7.354 1.00 0.00 H new ATOM 780 N VAL A 55 -8.233 0.453 -9.601 1.00 0.00 N ATOM 781 CA VAL A 55 -9.218 -0.398 -10.258 1.00 0.00 C ATOM 782 C VAL A 55 -8.829 -1.869 -10.153 1.00 0.00 C ATOM 783 O VAL A 55 -7.652 -2.228 -10.168 1.00 0.00 O ATOM 784 CB VAL A 55 -9.380 -0.026 -11.744 1.00 0.00 C ATOM 785 CG1 VAL A 55 -9.664 1.461 -11.894 1.00 0.00 C ATOM 786 CG2 VAL A 55 -8.139 -0.422 -12.530 1.00 0.00 C ATOM 0 H VAL A 55 -7.748 1.096 -10.226 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.167 -0.238 -9.746 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.230 -0.576 -12.148 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.775 1.705 -12.950 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.584 1.711 -11.365 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.837 2.034 -11.474 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.270 -0.152 -13.578 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.271 0.100 -12.127 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.985 -1.498 -12.449 1.00 0.00 H new ATOM 796 N PRO A 56 -9.842 -2.742 -10.045 1.00 0.00 N ATOM 797 CA PRO A 56 -9.631 -4.188 -9.937 1.00 0.00 C ATOM 798 C PRO A 56 -9.115 -4.798 -11.236 1.00 0.00 C ATOM 799 O PRO A 56 -8.278 -5.700 -11.220 1.00 0.00 O ATOM 800 CB PRO A 56 -11.027 -4.726 -9.611 1.00 0.00 C ATOM 801 CG PRO A 56 -11.964 -3.710 -10.166 1.00 0.00 C ATOM 802 CD PRO A 56 -11.270 -2.384 -10.020 1.00 0.00 C ATOM 0 HA PRO A 56 -8.878 -4.435 -9.189 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.190 -5.704 -10.064 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.164 -4.846 -8.536 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.191 -3.919 -11.211 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.911 -3.716 -9.626 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.528 -1.704 -10.832 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.544 -1.888 -9.089 1.00 0.00 H new ATOM 810 N GLY A 57 -9.620 -4.299 -12.360 1.00 0.00 N ATOM 811 CA GLY A 57 -9.198 -4.807 -13.652 1.00 0.00 C ATOM 812 C GLY A 57 -7.702 -4.679 -13.865 1.00 0.00 C ATOM 813 O GLY A 57 -7.109 -5.445 -14.623 1.00 0.00 O ATOM 0 H GLY A 57 -10.314 -3.552 -12.399 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.486 -5.855 -13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.722 -4.266 -14.440 1.00 0.00 H new ATOM 817 N ALA A 58 -7.092 -3.707 -13.195 1.00 0.00 N ATOM 818 CA ALA A 58 -5.657 -3.481 -13.314 1.00 0.00 C ATOM 819 C ALA A 58 -4.892 -4.227 -12.226 1.00 0.00 C ATOM 820 O ALA A 58 -3.894 -4.894 -12.501 1.00 0.00 O ATOM 821 CB ALA A 58 -5.350 -1.992 -13.252 1.00 0.00 C ATOM 0 H ALA A 58 -7.569 -3.063 -12.564 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.332 -3.867 -14.280 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.275 -1.838 -13.342 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.859 -1.481 -14.069 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.696 -1.589 -12.300 1.00 0.00 H new ATOM 827 N TYR A 59 -5.365 -4.109 -10.990 1.00 0.00 N ATOM 828 CA TYR A 59 -4.723 -4.769 -9.860 1.00 0.00 C ATOM 829 C TYR A 59 -4.431 -6.233 -10.178 1.00 0.00 C ATOM 830 O TYR A 59 -3.564 -6.853 -9.562 1.00 0.00 O ATOM 831 CB TYR A 59 -5.608 -4.673 -8.616 1.00 0.00 C ATOM 832 CG TYR A 59 -5.096 -5.480 -7.444 1.00 0.00 C ATOM 833 CD1 TYR A 59 -5.432 -6.821 -7.300 1.00 0.00 C ATOM 834 CD2 TYR A 59 -4.277 -4.903 -6.483 1.00 0.00 C ATOM 835 CE1 TYR A 59 -4.967 -7.562 -6.231 1.00 0.00 C ATOM 836 CE2 TYR A 59 -3.806 -5.637 -5.411 1.00 0.00 C ATOM 837 CZ TYR A 59 -4.155 -6.966 -5.289 1.00 0.00 C ATOM 838 OH TYR A 59 -3.689 -7.701 -4.224 1.00 0.00 O ATOM 0 H TYR A 59 -6.191 -3.562 -10.746 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.778 -4.262 -9.665 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.690 -3.628 -8.318 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.613 -5.012 -8.868 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.067 -7.291 -8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.003 -3.862 -6.575 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.238 -8.603 -6.133 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.168 -5.173 -4.673 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.952 -7.220 -3.792 1.00 0.00 H new ATOM 848 N LEU A 60 -5.162 -6.778 -11.144 1.00 0.00 N ATOM 849 CA LEU A 60 -4.982 -8.169 -11.546 1.00 0.00 C ATOM 850 C LEU A 60 -3.821 -8.307 -12.525 1.00 0.00 C ATOM 851 O LEU A 60 -3.083 -9.291 -12.491 1.00 0.00 O ATOM 852 CB LEU A 60 -6.266 -8.706 -12.182 1.00 0.00 C ATOM 853 CG LEU A 60 -7.493 -8.763 -11.271 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.738 -9.105 -12.074 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.281 -9.774 -10.154 1.00 0.00 C ATOM 0 H LEU A 60 -5.884 -6.279 -11.663 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.753 -8.753 -10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.507 -8.085 -13.045 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.070 -9.710 -12.557 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.635 -7.780 -10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.601 -9.141 -11.409 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.899 -8.344 -12.837 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.607 -10.076 -12.552 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.164 -9.801 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.113 -10.761 -10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.413 -9.485 -9.561 1.00 0.00 H new ATOM 867 N GLU A 61 -3.664 -7.313 -13.394 1.00 0.00 N ATOM 868 CA GLU A 61 -2.591 -7.325 -14.381 1.00 0.00 C ATOM 869 C GLU A 61 -1.231 -7.157 -13.708 1.00 0.00 C ATOM 870 O GLU A 61 -0.197 -7.507 -14.278 1.00 0.00 O ATOM 871 CB GLU A 61 -2.802 -6.213 -15.411 1.00 0.00 C ATOM 872 CG GLU A 61 -3.818 -6.563 -16.485 1.00 0.00 C ATOM 873 CD GLU A 61 -3.843 -5.554 -17.616 1.00 0.00 C ATOM 874 OE1 GLU A 61 -3.768 -4.341 -17.332 1.00 0.00 O ATOM 875 OE2 GLU A 61 -3.936 -5.979 -18.787 1.00 0.00 O ATOM 0 H GLU A 61 -4.266 -6.490 -13.434 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.610 -8.289 -14.889 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.127 -5.309 -14.896 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.848 -5.984 -15.886 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.589 -7.549 -16.888 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.809 -6.624 -16.036 1.00 0.00 H new ATOM 882 N TYR A 62 -1.241 -6.621 -12.493 1.00 0.00 N ATOM 883 CA TYR A 62 -0.010 -6.404 -11.743 1.00 0.00 C ATOM 884 C TYR A 62 0.459 -7.696 -11.081 1.00 0.00 C ATOM 885 O TYR A 62 1.655 -7.900 -10.867 1.00 0.00 O ATOM 886 CB TYR A 62 -0.218 -5.321 -10.683 1.00 0.00 C ATOM 887 CG TYR A 62 -0.846 -4.056 -11.224 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.881 -3.804 -12.590 1.00 0.00 C ATOM 889 CD2 TYR A 62 -1.405 -3.114 -10.370 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.453 -2.650 -13.089 1.00 0.00 C ATOM 891 CE2 TYR A 62 -1.980 -1.958 -10.860 1.00 0.00 C ATOM 892 CZ TYR A 62 -2.001 -1.730 -12.220 1.00 0.00 C ATOM 893 OH TYR A 62 -2.574 -0.580 -12.713 1.00 0.00 O ATOM 0 H TYR A 62 -2.088 -6.329 -12.006 1.00 0.00 H new ATOM 0 HA TYR A 62 0.759 -6.075 -12.442 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.849 -5.719 -9.888 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.744 -5.075 -10.233 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.454 -4.523 -13.273 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.390 -3.289 -9.304 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.471 -2.469 -14.154 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.411 -1.236 -10.182 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.508 -0.575 -13.691 1.00 0.00 H new ATOM 903 N LYS A 63 -0.491 -8.567 -10.758 1.00 0.00 N ATOM 904 CA LYS A 63 -0.178 -9.841 -10.122 1.00 0.00 C ATOM 905 C LYS A 63 0.750 -10.674 -11.001 1.00 0.00 C ATOM 906 O LYS A 63 1.756 -11.204 -10.529 1.00 0.00 O ATOM 907 CB LYS A 63 -1.463 -10.621 -9.836 1.00 0.00 C ATOM 908 CG LYS A 63 -2.487 -9.834 -9.036 1.00 0.00 C ATOM 909 CD LYS A 63 -2.302 -10.037 -7.541 1.00 0.00 C ATOM 910 CE LYS A 63 -1.175 -9.173 -6.997 1.00 0.00 C ATOM 911 NZ LYS A 63 -1.226 -7.787 -7.540 1.00 0.00 N ATOM 0 H LYS A 63 -1.485 -8.413 -10.927 1.00 0.00 H new ATOM 0 HA LYS A 63 0.331 -9.634 -9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.910 -10.927 -10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.212 -11.532 -9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.399 -8.774 -9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.492 -10.143 -9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.230 -9.796 -7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.088 -11.086 -7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.236 -9.139 -5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.216 -9.626 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.818 -7.127 -6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.681 -7.741 -8.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.214 -7.524 -7.728 1.00 0.00 H new ATOM 925 N SER A 64 0.405 -10.785 -12.280 1.00 0.00 N ATOM 926 CA SER A 64 1.207 -11.555 -13.223 1.00 0.00 C ATOM 927 C SER A 64 2.630 -11.011 -13.299 1.00 0.00 C ATOM 928 O SER A 64 3.575 -11.648 -12.836 1.00 0.00 O ATOM 929 CB SER A 64 0.564 -11.529 -14.611 1.00 0.00 C ATOM 930 OG SER A 64 -0.165 -10.331 -14.813 1.00 0.00 O ATOM 0 H SER A 64 -0.424 -10.352 -12.687 1.00 0.00 H new ATOM 0 HA SER A 64 1.250 -12.585 -12.869 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.336 -11.622 -15.375 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.100 -12.386 -14.724 1.00 0.00 H new ATOM 0 HG SER A 64 -0.565 -10.338 -15.708 1.00 0.00 H new ATOM 936 N ALA A 65 2.773 -9.828 -13.887 1.00 0.00 N ATOM 937 CA ALA A 65 4.080 -9.195 -14.022 1.00 0.00 C ATOM 938 C ALA A 65 4.878 -9.303 -12.728 1.00 0.00 C ATOM 939 O ALA A 65 5.967 -9.879 -12.704 1.00 0.00 O ATOM 940 CB ALA A 65 3.921 -7.738 -14.428 1.00 0.00 C ATOM 0 H ALA A 65 2.000 -9.288 -14.277 1.00 0.00 H new ATOM 0 HA ALA A 65 4.632 -9.719 -14.802 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.904 -7.278 -14.525 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.398 -7.681 -15.383 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.346 -7.209 -13.668 1.00 0.00 H new ATOM 946 N LEU A 66 4.332 -8.744 -11.653 1.00 0.00 N ATOM 947 CA LEU A 66 4.994 -8.777 -10.354 1.00 0.00 C ATOM 948 C LEU A 66 5.451 -10.191 -10.011 1.00 0.00 C ATOM 949 O LEU A 66 6.541 -10.390 -9.472 1.00 0.00 O ATOM 950 CB LEU A 66 4.054 -8.254 -9.267 1.00 0.00 C ATOM 951 CG LEU A 66 3.818 -6.744 -9.253 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.210 -6.310 -7.927 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.118 -5.998 -9.515 1.00 0.00 C ATOM 0 H LEU A 66 3.433 -8.263 -11.656 1.00 0.00 H new ATOM 0 HA LEU A 66 5.873 -8.134 -10.405 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.090 -8.751 -9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.454 -8.548 -8.297 1.00 0.00 H new ATOM 0 HG LEU A 66 3.115 -6.499 -10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.049 -5.232 -7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.257 -6.818 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.888 -6.569 -7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.930 -4.924 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.844 -6.249 -8.742 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.512 -6.285 -10.490 1.00 0.00 H new ATOM 965 N LEU A 67 4.612 -11.171 -10.328 1.00 0.00 N ATOM 966 CA LEU A 67 4.930 -12.569 -10.055 1.00 0.00 C ATOM 967 C LEU A 67 5.780 -13.162 -11.174 1.00 0.00 C ATOM 968 O LEU A 67 6.385 -14.221 -11.012 1.00 0.00 O ATOM 969 CB LEU A 67 3.645 -13.382 -9.889 1.00 0.00 C ATOM 970 CG LEU A 67 2.782 -13.033 -8.676 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.372 -13.576 -8.849 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.411 -13.574 -7.400 1.00 0.00 C ATOM 0 H LEU A 67 3.707 -11.024 -10.774 1.00 0.00 H new ATOM 0 HA LEU A 67 5.502 -12.612 -9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.041 -13.257 -10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.912 -14.437 -9.829 1.00 0.00 H new ATOM 0 HG LEU A 67 2.724 -11.947 -8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.773 -13.318 -7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.921 -13.140 -9.740 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.410 -14.660 -8.955 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.783 -13.316 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.501 -14.658 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.400 -13.136 -7.268 1.00 0.00 H new ATOM 984 N ASN A 68 5.821 -12.471 -12.308 1.00 0.00 N ATOM 985 CA ASN A 68 6.599 -12.929 -13.454 1.00 0.00 C ATOM 986 C ASN A 68 8.089 -12.944 -13.130 1.00 0.00 C ATOM 987 O ASN A 68 8.719 -14.001 -13.109 1.00 0.00 O ATOM 988 CB ASN A 68 6.338 -12.031 -14.665 1.00 0.00 C ATOM 989 CG ASN A 68 6.508 -12.769 -15.979 1.00 0.00 C ATOM 990 OD1 ASN A 68 7.625 -13.097 -16.380 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.397 -13.034 -16.657 1.00 0.00 N ATOM 0 H ASN A 68 5.325 -11.592 -12.458 1.00 0.00 H new ATOM 0 HA ASN A 68 6.287 -13.946 -13.690 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.326 -11.630 -14.605 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.020 -11.181 -14.638 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.449 -13.528 -17.548 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.492 -12.743 -16.287 1.00 0.00 H new ATOM 998 N GLU A 69 8.646 -11.763 -12.877 1.00 0.00 N ATOM 999 CA GLU A 69 10.063 -11.641 -12.553 1.00 0.00 C ATOM 1000 C GLU A 69 10.383 -12.345 -11.238 1.00 0.00 C ATOM 1001 O GLU A 69 11.209 -13.258 -11.195 1.00 0.00 O ATOM 1002 CB GLU A 69 10.464 -10.167 -12.467 1.00 0.00 C ATOM 1003 CG GLU A 69 9.664 -9.264 -13.391 1.00 0.00 C ATOM 1004 CD GLU A 69 10.420 -8.006 -13.774 1.00 0.00 C ATOM 1005 OE1 GLU A 69 10.636 -7.150 -12.890 1.00 0.00 O ATOM 1006 OE2 GLU A 69 10.795 -7.878 -14.958 1.00 0.00 O ATOM 0 H GLU A 69 8.138 -10.878 -12.890 1.00 0.00 H new ATOM 0 HA GLU A 69 10.634 -12.119 -13.349 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.339 -9.824 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.523 -10.073 -12.708 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.402 -9.815 -14.294 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.729 -8.988 -12.903 1.00 0.00 H new ATOM 1013 N CYS A 70 9.725 -11.913 -10.168 1.00 0.00 N ATOM 1014 CA CYS A 70 9.940 -12.500 -8.850 1.00 0.00 C ATOM 1015 C CYS A 70 10.034 -14.020 -8.940 1.00 0.00 C ATOM 1016 O CYS A 70 10.842 -14.645 -8.253 1.00 0.00 O ATOM 1017 CB CYS A 70 8.808 -12.103 -7.901 1.00 0.00 C ATOM 1018 SG CYS A 70 8.879 -12.914 -6.286 1.00 0.00 S ATOM 0 H CYS A 70 9.039 -11.159 -10.187 1.00 0.00 H new ATOM 0 HA CYS A 70 10.883 -12.118 -8.459 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.833 -11.023 -7.755 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.854 -12.339 -8.372 1.00 0.00 H new ATOM 0 HG CYS A 70 8.044 -13.910 -6.264 1.00 0.00 H new ATOM 1024 N HIS A 71 9.200 -14.610 -9.791 1.00 0.00 N ATOM 1025 CA HIS A 71 9.189 -16.057 -9.971 1.00 0.00 C ATOM 1026 C HIS A 71 10.534 -16.551 -10.493 1.00 0.00 C ATOM 1027 O HIS A 71 11.084 -17.533 -9.994 1.00 0.00 O ATOM 1028 CB HIS A 71 8.074 -16.463 -10.935 1.00 0.00 C ATOM 1029 CG HIS A 71 6.767 -16.740 -10.258 1.00 0.00 C ATOM 1030 ND1 HIS A 71 5.768 -17.499 -10.831 1.00 0.00 N ATOM 1031 CD2 HIS A 71 6.298 -16.354 -9.048 1.00 0.00 C ATOM 1032 CE1 HIS A 71 4.741 -17.567 -10.003 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.037 -16.881 -8.914 1.00 0.00 N ATOM 0 H HIS A 71 8.524 -14.108 -10.366 1.00 0.00 H new ATOM 0 HA HIS A 71 9.006 -16.517 -9.000 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.933 -15.669 -11.669 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.385 -17.352 -11.483 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.818 -15.745 -8.323 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.816 -18.094 -10.186 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.428 -16.762 -8.105 1.00 0.00 H new ATOM 1042 N LYS A 72 11.060 -15.864 -11.501 1.00 0.00 N ATOM 1043 CA LYS A 72 12.342 -16.231 -12.092 1.00 0.00 C ATOM 1044 C LYS A 72 13.459 -16.157 -11.056 1.00 0.00 C ATOM 1045 O LYS A 72 14.060 -17.173 -10.706 1.00 0.00 O ATOM 1046 CB LYS A 72 12.665 -15.312 -13.272 1.00 0.00 C ATOM 1047 CG LYS A 72 11.577 -15.277 -14.331 1.00 0.00 C ATOM 1048 CD LYS A 72 11.729 -14.074 -15.248 1.00 0.00 C ATOM 1049 CE LYS A 72 10.393 -13.651 -15.839 1.00 0.00 C ATOM 1050 NZ LYS A 72 10.555 -13.013 -17.175 1.00 0.00 N ATOM 0 H LYS A 72 10.618 -15.049 -11.926 1.00 0.00 H new ATOM 0 HA LYS A 72 12.268 -17.258 -12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.831 -14.301 -12.900 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.598 -15.639 -13.732 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.613 -16.193 -14.921 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.600 -15.247 -13.849 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.161 -13.243 -14.691 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.424 -14.314 -16.052 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.743 -14.522 -15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.900 -12.954 -15.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.620 -12.770 -17.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.126 -12.149 -17.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.033 -13.674 -17.820 1.00 0.00 H new ATOM 1064 N GLN A 73 13.731 -14.951 -10.569 1.00 0.00 N ATOM 1065 CA GLN A 73 14.776 -14.747 -9.573 1.00 0.00 C ATOM 1066 C GLN A 73 14.330 -15.255 -8.206 1.00 0.00 C ATOM 1067 O GLN A 73 14.865 -16.238 -7.694 1.00 0.00 O ATOM 1068 CB GLN A 73 15.143 -13.264 -9.484 1.00 0.00 C ATOM 1069 CG GLN A 73 14.012 -12.332 -9.888 1.00 0.00 C ATOM 1070 CD GLN A 73 14.009 -12.026 -11.372 1.00 0.00 C ATOM 1071 OE1 GLN A 73 14.595 -12.758 -12.170 1.00 0.00 O ATOM 1072 NE2 GLN A 73 13.348 -10.938 -11.751 1.00 0.00 N ATOM 0 H GLN A 73 13.242 -14.100 -10.848 1.00 0.00 H new ATOM 0 HA GLN A 73 15.654 -15.313 -9.883 1.00 0.00 H new ATOM 0 HB2 GLN A 73 15.445 -13.034 -8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 73 16.006 -13.073 -10.122 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.059 -12.783 -9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 73 14.097 -11.400 -9.329 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.876 -10.360 -11.056 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.312 -10.681 -12.737 1.00 0.00 H new ATOM 1081 N GLY A 74 13.348 -14.578 -7.619 1.00 0.00 N ATOM 1082 CA GLY A 74 12.848 -14.976 -6.316 1.00 0.00 C ATOM 1083 C GLY A 74 12.726 -13.806 -5.360 1.00 0.00 C ATOM 1084 O GLY A 74 12.093 -13.916 -4.311 1.00 0.00 O ATOM 0 H GLY A 74 12.890 -13.761 -8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.873 -15.449 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.515 -15.724 -5.887 1.00 0.00 H new ATOM 1088 N GLY A 75 13.337 -12.682 -5.722 1.00 0.00 N ATOM 1089 CA GLY A 75 13.283 -11.503 -4.876 1.00 0.00 C ATOM 1090 C GLY A 75 12.999 -10.238 -5.662 1.00 0.00 C ATOM 1091 O GLY A 75 13.773 -9.859 -6.542 1.00 0.00 O ATOM 0 H GLY A 75 13.868 -12.566 -6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.510 -11.638 -4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.231 -11.394 -4.349 1.00 0.00 H new ATOM 1095 N LEU A 76 11.887 -9.585 -5.346 1.00 0.00 N ATOM 1096 CA LEU A 76 11.501 -8.355 -6.030 1.00 0.00 C ATOM 1097 C LEU A 76 11.316 -7.214 -5.036 1.00 0.00 C ATOM 1098 O LEU A 76 10.470 -7.286 -4.144 1.00 0.00 O ATOM 1099 CB LEU A 76 10.211 -8.572 -6.822 1.00 0.00 C ATOM 1100 CG LEU A 76 9.975 -7.621 -7.996 1.00 0.00 C ATOM 1101 CD1 LEU A 76 10.944 -7.922 -9.129 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.536 -7.719 -8.481 1.00 0.00 C ATOM 0 H LEU A 76 11.236 -9.886 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 76 12.301 -8.085 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.209 -9.594 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.368 -8.486 -6.136 1.00 0.00 H new ATOM 0 HG LEU A 76 10.153 -6.601 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.761 -7.236 -9.956 1.00 0.00 H new ATOM 0 HD12 LEU A 76 11.967 -7.799 -8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.798 -8.947 -9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.386 -7.035 -9.317 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.330 -8.739 -8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.859 -7.453 -7.669 1.00 0.00 H new ATOM 1114 N ARG A 77 12.110 -6.161 -5.196 1.00 0.00 N ATOM 1115 CA ARG A 77 12.033 -5.003 -4.313 1.00 0.00 C ATOM 1116 C ARG A 77 11.051 -3.969 -4.857 1.00 0.00 C ATOM 1117 O ARG A 77 10.667 -4.016 -6.027 1.00 0.00 O ATOM 1118 CB ARG A 77 13.415 -4.371 -4.144 1.00 0.00 C ATOM 1119 CG ARG A 77 14.085 -4.009 -5.460 1.00 0.00 C ATOM 1120 CD ARG A 77 15.403 -3.285 -5.234 1.00 0.00 C ATOM 1121 NE ARG A 77 16.493 -4.211 -4.942 1.00 0.00 N ATOM 1122 CZ ARG A 77 17.659 -3.835 -4.426 1.00 0.00 C ATOM 1123 NH1 ARG A 77 17.883 -2.559 -4.147 1.00 0.00 N ATOM 1124 NH2 ARG A 77 18.602 -4.738 -4.189 1.00 0.00 N ATOM 0 H ARG A 77 12.815 -6.085 -5.929 1.00 0.00 H new ATOM 0 HA ARG A 77 11.675 -5.342 -3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.322 -3.472 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 77 14.057 -5.062 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.261 -4.914 -6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 77 13.418 -3.378 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 77 15.652 -2.700 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.293 -2.582 -4.408 1.00 0.00 H new ATOM 0 HE ARG A 77 16.352 -5.201 -5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.160 -1.863 -4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.779 -2.273 -3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.432 -5.721 -4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.497 -4.449 -3.793 1.00 0.00 H new ATOM 1138 N LEU A 78 10.649 -3.036 -4.002 1.00 0.00 N ATOM 1139 CA LEU A 78 9.712 -1.990 -4.396 1.00 0.00 C ATOM 1140 C LEU A 78 10.124 -1.361 -5.723 1.00 0.00 C ATOM 1141 O LEU A 78 9.395 -1.439 -6.711 1.00 0.00 O ATOM 1142 CB LEU A 78 9.633 -0.914 -3.311 1.00 0.00 C ATOM 1143 CG LEU A 78 8.518 0.121 -3.472 1.00 0.00 C ATOM 1144 CD1 LEU A 78 7.154 -0.543 -3.366 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.659 1.223 -2.433 1.00 0.00 C ATOM 0 H LEU A 78 10.957 -2.982 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 78 8.729 -2.445 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.507 -1.407 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.587 -0.388 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 78 8.605 0.569 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.373 0.209 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.054 -1.295 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.056 -1.019 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.857 1.950 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.599 0.791 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.622 1.719 -2.557 1.00 0.00 H new ATOM 1157 N ALA A 79 11.298 -0.739 -5.738 1.00 0.00 N ATOM 1158 CA ALA A 79 11.810 -0.101 -6.944 1.00 0.00 C ATOM 1159 C ALA A 79 11.394 -0.873 -8.192 1.00 0.00 C ATOM 1160 O ALA A 79 10.768 -0.319 -9.095 1.00 0.00 O ATOM 1161 CB ALA A 79 13.325 0.020 -6.876 1.00 0.00 C ATOM 0 H ALA A 79 11.913 -0.663 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 79 11.380 0.899 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.693 0.498 -7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.604 0.621 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.766 -0.973 -6.785 1.00 0.00 H new ATOM 1167 N GLN A 80 11.748 -2.154 -8.235 1.00 0.00 N ATOM 1168 CA GLN A 80 11.412 -3.000 -9.373 1.00 0.00 C ATOM 1169 C GLN A 80 9.911 -3.263 -9.433 1.00 0.00 C ATOM 1170 O GLN A 80 9.336 -3.394 -10.513 1.00 0.00 O ATOM 1171 CB GLN A 80 12.171 -4.326 -9.291 1.00 0.00 C ATOM 1172 CG GLN A 80 13.632 -4.168 -8.904 1.00 0.00 C ATOM 1173 CD GLN A 80 14.511 -5.257 -9.487 1.00 0.00 C ATOM 1174 OE1 GLN A 80 15.278 -5.901 -8.770 1.00 0.00 O ATOM 1175 NE2 GLN A 80 14.405 -5.468 -10.793 1.00 0.00 N ATOM 0 H GLN A 80 12.267 -2.628 -7.495 1.00 0.00 H new ATOM 0 HA GLN A 80 11.707 -2.476 -10.282 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.679 -4.972 -8.564 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.112 -4.829 -10.256 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.991 -3.196 -9.243 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.719 -4.179 -7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.756 -4.911 -11.349 1.00 0.00 H new ATOM 0 HE22 GLN A 80 14.972 -6.188 -11.241 1.00 0.00 H new ATOM 1184 N ALA A 81 9.282 -3.338 -8.265 1.00 0.00 N ATOM 1185 CA ALA A 81 7.847 -3.583 -8.184 1.00 0.00 C ATOM 1186 C ALA A 81 7.057 -2.419 -8.773 1.00 0.00 C ATOM 1187 O ALA A 81 5.960 -2.605 -9.300 1.00 0.00 O ATOM 1188 CB ALA A 81 7.433 -3.827 -6.740 1.00 0.00 C ATOM 0 H ALA A 81 9.743 -3.233 -7.361 1.00 0.00 H new ATOM 0 HA ALA A 81 7.623 -4.474 -8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.359 -4.008 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.964 -4.696 -6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.679 -2.952 -6.138 1.00 0.00 H new ATOM 1194 N ARG A 82 7.622 -1.220 -8.681 1.00 0.00 N ATOM 1195 CA ARG A 82 6.970 -0.026 -9.203 1.00 0.00 C ATOM 1196 C ARG A 82 7.358 0.213 -10.659 1.00 0.00 C ATOM 1197 O ARG A 82 6.794 1.079 -11.328 1.00 0.00 O ATOM 1198 CB ARG A 82 7.340 1.195 -8.358 1.00 0.00 C ATOM 1199 CG ARG A 82 8.795 1.611 -8.495 1.00 0.00 C ATOM 1200 CD ARG A 82 9.016 3.034 -8.007 1.00 0.00 C ATOM 1201 NE ARG A 82 10.152 3.671 -8.669 1.00 0.00 N ATOM 1202 CZ ARG A 82 10.202 3.910 -9.974 1.00 0.00 C ATOM 1203 NH1 ARG A 82 9.185 3.569 -10.754 1.00 0.00 N ATOM 1204 NH2 ARG A 82 11.270 4.493 -10.503 1.00 0.00 N ATOM 0 H ARG A 82 8.530 -1.050 -8.250 1.00 0.00 H new ATOM 0 HA ARG A 82 5.892 -0.180 -9.153 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.703 2.032 -8.645 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.130 0.979 -7.311 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.425 0.928 -7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.101 1.531 -9.538 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.116 3.622 -8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.182 3.026 -6.930 1.00 0.00 H new ATOM 0 HE ARG A 82 10.950 3.947 -8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.361 3.122 -10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.227 3.754 -11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.054 4.758 -9.907 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.307 4.676 -11.506 1.00 0.00 H new ATOM 1218 N ALA A 83 8.326 -0.559 -11.142 1.00 0.00 N ATOM 1219 CA ALA A 83 8.789 -0.432 -12.519 1.00 0.00 C ATOM 1220 C ALA A 83 7.968 -1.311 -13.457 1.00 0.00 C ATOM 1221 O ALA A 83 7.712 -0.942 -14.604 1.00 0.00 O ATOM 1222 CB ALA A 83 10.265 -0.789 -12.614 1.00 0.00 C ATOM 0 H ALA A 83 8.805 -1.279 -10.601 1.00 0.00 H new ATOM 0 HA ALA A 83 8.657 0.605 -12.827 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.598 -0.690 -13.647 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.843 -0.117 -11.981 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.413 -1.817 -12.282 1.00 0.00 H new ATOM 1228 N LEU A 84 7.560 -2.474 -12.964 1.00 0.00 N ATOM 1229 CA LEU A 84 6.768 -3.407 -13.759 1.00 0.00 C ATOM 1230 C LEU A 84 5.380 -2.840 -14.041 1.00 0.00 C ATOM 1231 O LEU A 84 4.757 -3.174 -15.049 1.00 0.00 O ATOM 1232 CB LEU A 84 6.645 -4.749 -13.034 1.00 0.00 C ATOM 1233 CG LEU A 84 7.934 -5.561 -12.904 1.00 0.00 C ATOM 1234 CD1 LEU A 84 7.803 -6.596 -11.797 1.00 0.00 C ATOM 1235 CD2 LEU A 84 8.277 -6.233 -14.226 1.00 0.00 C ATOM 0 H LEU A 84 7.764 -2.794 -12.017 1.00 0.00 H new ATOM 0 HA LEU A 84 7.278 -3.560 -14.710 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.253 -4.565 -12.034 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.908 -5.357 -13.559 1.00 0.00 H new ATOM 0 HG LEU A 84 8.745 -4.880 -12.644 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.730 -7.164 -11.719 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.605 -6.093 -10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.980 -7.273 -12.027 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.197 -6.806 -14.115 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.466 -6.901 -14.516 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.414 -5.473 -14.996 1.00 0.00 H new ATOM 1247 N ILE A 85 4.905 -1.980 -13.147 1.00 0.00 N ATOM 1248 CA ILE A 85 3.593 -1.365 -13.302 1.00 0.00 C ATOM 1249 C ILE A 85 3.717 0.091 -13.739 1.00 0.00 C ATOM 1250 O ILE A 85 2.719 0.751 -14.032 1.00 0.00 O ATOM 1251 CB ILE A 85 2.782 -1.429 -11.995 1.00 0.00 C ATOM 1252 CG1 ILE A 85 3.689 -1.157 -10.793 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.105 -2.785 -11.858 1.00 0.00 C ATOM 1254 CD1 ILE A 85 2.957 -1.165 -9.469 1.00 0.00 C ATOM 0 H ILE A 85 5.409 -1.693 -12.308 1.00 0.00 H new ATOM 0 HA ILE A 85 3.069 -1.931 -14.072 1.00 0.00 H new ATOM 0 HB ILE A 85 2.010 -0.660 -12.025 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.479 -1.908 -10.767 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.173 -0.190 -10.925 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.535 -2.815 -10.929 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.433 -2.943 -12.701 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.861 -3.570 -11.845 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.662 -0.965 -8.662 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.185 -0.395 -9.475 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.495 -2.140 -9.314 1.00 0.00 H new ATOM 1266 N LYS A 86 4.949 0.587 -13.782 1.00 0.00 N ATOM 1267 CA LYS A 86 5.206 1.964 -14.186 1.00 0.00 C ATOM 1268 C LYS A 86 4.193 2.914 -13.557 1.00 0.00 C ATOM 1269 O LYS A 86 3.610 3.757 -14.240 1.00 0.00 O ATOM 1270 CB LYS A 86 5.158 2.088 -15.711 1.00 0.00 C ATOM 1271 CG LYS A 86 5.975 1.030 -16.433 1.00 0.00 C ATOM 1272 CD LYS A 86 6.285 1.444 -17.862 1.00 0.00 C ATOM 1273 CE LYS A 86 6.657 0.246 -18.721 1.00 0.00 C ATOM 1274 NZ LYS A 86 6.880 0.630 -20.142 1.00 0.00 N ATOM 0 H LYS A 86 5.786 0.055 -13.542 1.00 0.00 H new ATOM 0 HA LYS A 86 6.201 2.238 -13.836 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.121 2.022 -16.040 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.521 3.075 -15.999 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.906 0.857 -15.893 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.429 0.087 -16.437 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.419 1.947 -18.292 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.104 2.163 -17.864 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.560 -0.219 -18.325 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.864 -0.500 -18.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.132 -0.214 -20.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.011 1.050 -20.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.654 1.323 -20.197 1.00 0.00 H new ATOM 1288 N ILE A 87 3.988 2.774 -12.251 1.00 0.00 N ATOM 1289 CA ILE A 87 3.047 3.622 -11.530 1.00 0.00 C ATOM 1290 C ILE A 87 3.683 4.201 -10.271 1.00 0.00 C ATOM 1291 O ILE A 87 4.702 3.704 -9.793 1.00 0.00 O ATOM 1292 CB ILE A 87 1.776 2.845 -11.139 1.00 0.00 C ATOM 1293 CG1 ILE A 87 2.108 1.764 -10.110 1.00 0.00 C ATOM 1294 CG2 ILE A 87 1.130 2.231 -12.372 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.947 1.411 -9.207 1.00 0.00 C ATOM 0 H ILE A 87 4.461 2.081 -11.671 1.00 0.00 H new ATOM 0 HA ILE A 87 2.774 4.435 -12.203 1.00 0.00 H new ATOM 0 HB ILE A 87 1.067 3.541 -10.690 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.437 0.866 -10.632 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.944 2.101 -9.498 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.233 1.685 -12.079 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.861 3.021 -13.074 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.832 1.546 -12.848 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.255 0.638 -8.503 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.631 2.298 -8.657 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.117 1.043 -9.809 1.00 0.00 H new ATOM 1307 N ASP A 88 3.073 5.254 -9.738 1.00 0.00 N ATOM 1308 CA ASP A 88 3.577 5.900 -8.532 1.00 0.00 C ATOM 1309 C ASP A 88 3.835 4.874 -7.433 1.00 0.00 C ATOM 1310 O ASP A 88 2.930 4.150 -7.019 1.00 0.00 O ATOM 1311 CB ASP A 88 2.584 6.954 -8.039 1.00 0.00 C ATOM 1312 CG ASP A 88 3.204 7.912 -7.041 1.00 0.00 C ATOM 1313 OD1 ASP A 88 4.171 7.513 -6.358 1.00 0.00 O ATOM 1314 OD2 ASP A 88 2.723 9.060 -6.942 1.00 0.00 O ATOM 0 H ASP A 88 2.229 5.678 -10.122 1.00 0.00 H new ATOM 0 HA ASP A 88 4.520 6.387 -8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.204 7.517 -8.891 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.730 6.457 -7.579 1.00 0.00 H new ATOM 1319 N VAL A 89 5.078 4.816 -6.965 1.00 0.00 N ATOM 1320 CA VAL A 89 5.456 3.879 -5.914 1.00 0.00 C ATOM 1321 C VAL A 89 4.470 3.928 -4.752 1.00 0.00 C ATOM 1322 O VAL A 89 4.166 2.906 -4.139 1.00 0.00 O ATOM 1323 CB VAL A 89 6.872 4.171 -5.384 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.927 5.548 -4.738 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.306 3.095 -4.401 1.00 0.00 C ATOM 0 H VAL A 89 5.840 5.407 -7.297 1.00 0.00 H new ATOM 0 HA VAL A 89 5.440 2.884 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 89 7.565 4.162 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.935 5.737 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.662 6.306 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.223 5.588 -3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.309 3.318 -4.037 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.612 3.069 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.308 2.126 -4.900 1.00 0.00 H new ATOM 1335 N ASN A 90 3.974 5.125 -4.456 1.00 0.00 N ATOM 1336 CA ASN A 90 3.021 5.309 -3.367 1.00 0.00 C ATOM 1337 C ASN A 90 1.878 4.303 -3.469 1.00 0.00 C ATOM 1338 O ASN A 90 1.305 3.892 -2.459 1.00 0.00 O ATOM 1339 CB ASN A 90 2.465 6.734 -3.383 1.00 0.00 C ATOM 1340 CG ASN A 90 1.484 6.984 -2.254 1.00 0.00 C ATOM 1341 OD1 ASN A 90 0.304 7.246 -2.488 1.00 0.00 O ATOM 1342 ND2 ASN A 90 1.969 6.905 -1.020 1.00 0.00 N ATOM 0 H ASN A 90 4.216 5.981 -4.954 1.00 0.00 H new ATOM 0 HA ASN A 90 3.545 5.142 -2.426 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.289 7.444 -3.309 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.971 6.918 -4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.356 7.064 -0.220 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.954 6.685 -0.872 1.00 0.00 H new ATOM 1349 N LYS A 91 1.550 3.911 -4.695 1.00 0.00 N ATOM 1350 CA LYS A 91 0.477 2.953 -4.931 1.00 0.00 C ATOM 1351 C LYS A 91 0.929 1.535 -4.593 1.00 0.00 C ATOM 1352 O LYS A 91 0.468 0.942 -3.617 1.00 0.00 O ATOM 1353 CB LYS A 91 0.018 3.018 -6.390 1.00 0.00 C ATOM 1354 CG LYS A 91 -0.838 4.233 -6.704 1.00 0.00 C ATOM 1355 CD LYS A 91 -2.245 4.081 -6.149 1.00 0.00 C ATOM 1356 CE LYS A 91 -3.274 4.742 -7.053 1.00 0.00 C ATOM 1357 NZ LYS A 91 -4.462 5.214 -6.288 1.00 0.00 N ATOM 0 H LYS A 91 2.013 4.242 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.358 3.215 -4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.894 3.024 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.546 2.116 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.374 5.125 -6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.885 4.377 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.482 3.023 -6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.295 4.524 -5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.816 5.586 -7.569 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.593 4.035 -7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.327 4.832 -6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.393 4.886 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.496 6.253 -6.305 1.00 0.00 H new ATOM 1371 N THR A 92 1.835 0.998 -5.404 1.00 0.00 N ATOM 1372 CA THR A 92 2.349 -0.349 -5.191 1.00 0.00 C ATOM 1373 C THR A 92 2.764 -0.555 -3.739 1.00 0.00 C ATOM 1374 O THR A 92 2.598 -1.641 -3.184 1.00 0.00 O ATOM 1375 CB THR A 92 3.555 -0.641 -6.104 1.00 0.00 C ATOM 1376 OG1 THR A 92 4.182 -1.866 -5.709 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.565 0.494 -6.046 1.00 0.00 C ATOM 0 H THR A 92 2.228 1.476 -6.215 1.00 0.00 H new ATOM 0 HA THR A 92 1.541 -1.038 -5.437 1.00 0.00 H new ATOM 0 HB THR A 92 3.194 -0.732 -7.129 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.947 -2.046 -6.295 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.407 0.265 -6.699 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.092 1.419 -6.375 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.921 0.613 -5.023 1.00 0.00 H new ATOM 1385 N ARG A 93 3.305 0.495 -3.128 1.00 0.00 N ATOM 1386 CA ARG A 93 3.744 0.428 -1.740 1.00 0.00 C ATOM 1387 C ARG A 93 2.744 -0.350 -0.890 1.00 0.00 C ATOM 1388 O ARG A 93 3.128 -1.138 -0.025 1.00 0.00 O ATOM 1389 CB ARG A 93 3.925 1.837 -1.171 1.00 0.00 C ATOM 1390 CG ARG A 93 5.327 2.394 -1.358 1.00 0.00 C ATOM 1391 CD ARG A 93 5.697 3.356 -0.240 1.00 0.00 C ATOM 1392 NE ARG A 93 5.969 2.660 1.015 1.00 0.00 N ATOM 1393 CZ ARG A 93 6.488 3.251 2.085 1.00 0.00 C ATOM 1394 NH1 ARG A 93 6.790 4.541 2.053 1.00 0.00 N ATOM 1395 NH2 ARG A 93 6.705 2.550 3.191 1.00 0.00 N ATOM 0 H ARG A 93 3.449 1.401 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 93 4.701 -0.093 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.210 2.507 -1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.687 1.823 -0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.045 1.574 -1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.391 2.907 -2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.575 3.931 -0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.885 4.068 -0.091 1.00 0.00 H new ATOM 0 HE ARG A 93 5.748 1.666 1.073 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.624 5.083 1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.188 4.992 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.473 1.557 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.104 3.004 4.013 1.00 0.00 H new ATOM 1409 N LYS A 94 1.459 -0.124 -1.141 1.00 0.00 N ATOM 1410 CA LYS A 94 0.403 -0.804 -0.401 1.00 0.00 C ATOM 1411 C LYS A 94 0.193 -2.220 -0.928 1.00 0.00 C ATOM 1412 O LYS A 94 -0.047 -3.150 -0.158 1.00 0.00 O ATOM 1413 CB LYS A 94 -0.904 -0.014 -0.496 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.700 1.483 -0.651 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.839 2.269 -0.023 1.00 0.00 C ATOM 1416 CE LYS A 94 -1.555 2.593 1.435 1.00 0.00 C ATOM 1417 NZ LYS A 94 -1.957 1.480 2.339 1.00 0.00 N ATOM 0 H LYS A 94 1.124 0.526 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 94 0.708 -0.866 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.481 -0.383 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.497 -0.201 0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.243 1.773 -0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.624 1.733 -1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.994 3.194 -0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.762 1.695 -0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.492 2.797 1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.090 3.500 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.071 1.843 3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.858 1.075 2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.223 0.743 2.330 1.00 0.00 H new ATOM 1431 N ILE A 95 0.287 -2.376 -2.245 1.00 0.00 N ATOM 1432 CA ILE A 95 0.110 -3.679 -2.873 1.00 0.00 C ATOM 1433 C ILE A 95 1.287 -4.600 -2.570 1.00 0.00 C ATOM 1434 O ILE A 95 1.130 -5.627 -1.909 1.00 0.00 O ATOM 1435 CB ILE A 95 -0.047 -3.551 -4.400 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -1.178 -2.578 -4.739 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.309 -4.914 -5.022 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -1.237 -2.205 -6.203 1.00 0.00 C ATOM 0 H ILE A 95 0.485 -1.617 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.801 -4.109 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 95 0.881 -3.157 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.129 -3.024 -4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.056 -1.671 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.418 -4.807 -6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.527 -5.579 -4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.224 -5.334 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.063 -1.513 -6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.301 -1.730 -6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.390 -3.103 -6.801 1.00 0.00 H new ATOM 1450 N TYR A 96 2.465 -4.225 -3.055 1.00 0.00 N ATOM 1451 CA TYR A 96 3.669 -5.018 -2.837 1.00 0.00 C ATOM 1452 C TYR A 96 3.646 -5.675 -1.460 1.00 0.00 C ATOM 1453 O TYR A 96 3.712 -6.899 -1.343 1.00 0.00 O ATOM 1454 CB TYR A 96 4.914 -4.140 -2.974 1.00 0.00 C ATOM 1455 CG TYR A 96 6.196 -4.843 -2.586 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.659 -5.935 -3.309 1.00 0.00 C ATOM 1457 CD2 TYR A 96 6.943 -4.414 -1.496 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.829 -6.580 -2.957 1.00 0.00 C ATOM 1459 CE2 TYR A 96 8.115 -5.052 -1.138 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.553 -6.134 -1.871 1.00 0.00 C ATOM 1461 OH TYR A 96 9.720 -6.773 -1.518 1.00 0.00 O ATOM 0 H TYR A 96 2.612 -3.377 -3.602 1.00 0.00 H new ATOM 0 HA TYR A 96 3.700 -5.802 -3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.995 -3.797 -4.006 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.793 -3.253 -2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.095 -6.286 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.602 -3.567 -0.919 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.175 -7.428 -3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.685 -4.705 -0.289 1.00 0.00 H new ATOM 0 HH TYR A 96 10.190 -7.066 -2.327 1.00 0.00 H new ATOM 1471 N ASP A 97 3.550 -4.853 -0.421 1.00 0.00 N ATOM 1472 CA ASP A 97 3.516 -5.353 0.948 1.00 0.00 C ATOM 1473 C ASP A 97 2.531 -6.511 1.080 1.00 0.00 C ATOM 1474 O ASP A 97 2.913 -7.629 1.426 1.00 0.00 O ATOM 1475 CB ASP A 97 3.136 -4.231 1.915 1.00 0.00 C ATOM 1476 CG ASP A 97 3.539 -4.535 3.344 1.00 0.00 C ATOM 1477 OD1 ASP A 97 4.684 -4.207 3.721 1.00 0.00 O ATOM 1478 OD2 ASP A 97 2.710 -5.101 4.086 1.00 0.00 O ATOM 0 H ASP A 97 3.494 -3.838 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 97 4.512 -5.717 1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.612 -3.304 1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.059 -4.067 1.872 1.00 0.00 H new ATOM 1483 N PHE A 98 1.261 -6.234 0.804 1.00 0.00 N ATOM 1484 CA PHE A 98 0.220 -7.251 0.893 1.00 0.00 C ATOM 1485 C PHE A 98 0.727 -8.595 0.378 1.00 0.00 C ATOM 1486 O PHE A 98 0.591 -9.621 1.046 1.00 0.00 O ATOM 1487 CB PHE A 98 -1.014 -6.820 0.098 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.105 -7.852 0.078 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -3.031 -7.921 1.107 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.205 -8.753 -0.970 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -4.036 -8.869 1.091 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.208 -9.703 -0.991 1.00 0.00 C ATOM 1493 CZ PHE A 98 -4.124 -9.762 0.041 1.00 0.00 C ATOM 0 H PHE A 98 0.928 -5.314 0.517 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.054 -7.364 1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.406 -5.896 0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.717 -6.597 -0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.966 -7.226 1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.491 -8.712 -1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.752 -8.912 1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.276 -10.399 -1.814 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.908 -10.505 0.027 1.00 0.00 H new ATOM 1503 N LEU A 99 1.311 -8.582 -0.815 1.00 0.00 N ATOM 1504 CA LEU A 99 1.839 -9.799 -1.422 1.00 0.00 C ATOM 1505 C LEU A 99 2.946 -10.400 -0.563 1.00 0.00 C ATOM 1506 O LEU A 99 2.938 -11.596 -0.270 1.00 0.00 O ATOM 1507 CB LEU A 99 2.370 -9.504 -2.826 1.00 0.00 C ATOM 1508 CG LEU A 99 1.314 -9.275 -3.909 1.00 0.00 C ATOM 1509 CD1 LEU A 99 1.975 -9.059 -5.261 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.347 -10.449 -3.967 1.00 0.00 C ATOM 0 H LEU A 99 1.431 -7.742 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 99 1.026 -10.522 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.006 -8.620 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.004 -10.335 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 99 0.750 -8.377 -3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.209 -8.898 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.626 -8.186 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.565 -9.938 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.397 -10.269 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.897 -11.362 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.152 -10.558 -3.004 1.00 0.00 H new ATOM 1522 N ILE A 100 3.896 -9.563 -0.161 1.00 0.00 N ATOM 1523 CA ILE A 100 5.009 -10.011 0.667 1.00 0.00 C ATOM 1524 C ILE A 100 4.510 -10.760 1.898 1.00 0.00 C ATOM 1525 O ILE A 100 5.037 -11.815 2.251 1.00 0.00 O ATOM 1526 CB ILE A 100 5.886 -8.829 1.119 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.647 -8.245 -0.073 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.854 -9.273 2.206 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.854 -9.063 -0.479 1.00 0.00 C ATOM 0 H ILE A 100 3.917 -8.570 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 100 5.609 -10.683 0.054 1.00 0.00 H new ATOM 0 HB ILE A 100 5.240 -8.053 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.969 -8.166 -0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.970 -7.233 0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.467 -8.426 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.293 -9.647 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.496 -10.064 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.345 -8.590 -1.330 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.552 -9.121 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.536 -10.068 -0.756 1.00 0.00 H new ATOM 1541 N ARG A 101 3.491 -10.208 2.548 1.00 0.00 N ATOM 1542 CA ARG A 101 2.920 -10.824 3.739 1.00 0.00 C ATOM 1543 C ARG A 101 2.052 -12.023 3.369 1.00 0.00 C ATOM 1544 O ARG A 101 1.907 -12.961 4.153 1.00 0.00 O ATOM 1545 CB ARG A 101 2.091 -9.802 4.520 1.00 0.00 C ATOM 1546 CG ARG A 101 0.770 -9.453 3.854 1.00 0.00 C ATOM 1547 CD ARG A 101 -0.239 -8.923 4.861 1.00 0.00 C ATOM 1548 NE ARG A 101 0.121 -7.594 5.348 1.00 0.00 N ATOM 1549 CZ ARG A 101 -0.648 -6.875 6.158 1.00 0.00 C ATOM 1550 NH1 ARG A 101 -1.813 -7.355 6.570 1.00 0.00 N ATOM 1551 NH2 ARG A 101 -0.252 -5.673 6.557 1.00 0.00 N ATOM 0 H ARG A 101 3.044 -9.335 2.269 1.00 0.00 H new ATOM 0 HA ARG A 101 3.741 -11.172 4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.893 -10.194 5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.677 -8.891 4.646 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.939 -8.706 3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.365 -10.337 3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.226 -8.885 4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.307 -9.612 5.703 1.00 0.00 H new ATOM 0 HE ARG A 101 1.012 -7.196 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.121 -8.278 6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.402 -6.801 7.192 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.644 -5.300 6.242 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.843 -5.122 7.179 1.00 0.00 H new ATOM 1565 N GLU A 102 1.478 -11.984 2.171 1.00 0.00 N ATOM 1566 CA GLU A 102 0.624 -13.067 1.698 1.00 0.00 C ATOM 1567 C GLU A 102 1.455 -14.291 1.322 1.00 0.00 C ATOM 1568 O GLU A 102 0.944 -15.408 1.266 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.202 -12.608 0.495 1.00 0.00 C ATOM 1570 CG GLU A 102 -1.497 -11.911 0.876 1.00 0.00 C ATOM 1571 CD GLU A 102 -2.575 -12.882 1.317 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -3.064 -13.652 0.463 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -2.929 -12.873 2.514 1.00 0.00 O ATOM 0 H GLU A 102 1.589 -11.215 1.511 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.051 -13.343 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.400 -11.931 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.434 -13.473 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.301 -11.202 1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.859 -11.334 0.025 1.00 0.00 H new ATOM 1580 N GLY A 103 2.740 -14.069 1.063 1.00 0.00 N ATOM 1581 CA GLY A 103 3.622 -15.162 0.694 1.00 0.00 C ATOM 1582 C GLY A 103 3.664 -15.392 -0.803 1.00 0.00 C ATOM 1583 O GLY A 103 3.939 -16.501 -1.260 1.00 0.00 O ATOM 0 H GLY A 103 3.186 -13.153 1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.629 -14.950 1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.292 -16.075 1.190 1.00 0.00 H new ATOM 1587 N TYR A 104 3.389 -14.342 -1.569 1.00 0.00 N ATOM 1588 CA TYR A 104 3.393 -14.436 -3.024 1.00 0.00 C ATOM 1589 C TYR A 104 4.771 -14.100 -3.588 1.00 0.00 C ATOM 1590 O TYR A 104 5.217 -14.701 -4.566 1.00 0.00 O ATOM 1591 CB TYR A 104 2.343 -13.496 -3.620 1.00 0.00 C ATOM 1592 CG TYR A 104 0.927 -14.011 -3.489 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.479 -15.072 -4.267 1.00 0.00 C ATOM 1594 CD2 TYR A 104 0.038 -13.436 -2.590 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -0.814 -15.545 -4.151 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.256 -13.903 -2.467 1.00 0.00 C ATOM 1597 CZ TYR A 104 -1.678 -14.958 -3.250 1.00 0.00 C ATOM 1598 OH TYR A 104 -2.966 -15.425 -3.132 1.00 0.00 O ATOM 0 H TYR A 104 3.161 -13.416 -1.207 1.00 0.00 H new ATOM 0 HA TYR A 104 3.149 -15.463 -3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.415 -12.526 -3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.567 -13.336 -4.675 1.00 0.00 H new ATOM 0 HD1 TYR A 104 1.152 -15.534 -4.974 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.364 -12.609 -1.976 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.147 -16.370 -4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -1.934 -13.445 -1.762 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.442 -14.903 -2.453 1.00 0.00 H new ATOM 1608 N ILE A 105 5.439 -13.136 -2.964 1.00 0.00 N ATOM 1609 CA ILE A 105 6.766 -12.720 -3.402 1.00 0.00 C ATOM 1610 C ILE A 105 7.733 -12.640 -2.225 1.00 0.00 C ATOM 1611 O ILE A 105 7.376 -12.960 -1.090 1.00 0.00 O ATOM 1612 CB ILE A 105 6.723 -11.353 -4.110 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.931 -10.346 -3.274 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.112 -11.495 -5.497 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.686 -9.032 -3.983 1.00 0.00 C ATOM 0 H ILE A 105 5.084 -12.628 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 105 7.116 -13.474 -4.107 1.00 0.00 H new ATOM 0 HB ILE A 105 7.743 -10.984 -4.219 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.972 -10.787 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.469 -10.154 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.088 -10.521 -5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.713 -12.184 -6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.097 -11.882 -5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.119 -8.367 -3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.641 -8.569 -4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.121 -9.212 -4.898 1.00 0.00 H new ATOM 1627 N THR A 106 8.959 -12.208 -2.502 1.00 0.00 N ATOM 1628 CA THR A 106 9.978 -12.085 -1.467 1.00 0.00 C ATOM 1629 C THR A 106 10.568 -10.679 -1.441 1.00 0.00 C ATOM 1630 O THR A 106 10.308 -9.869 -2.331 1.00 0.00 O ATOM 1631 CB THR A 106 11.115 -13.103 -1.674 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.592 -14.316 -2.227 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.820 -13.401 -0.359 1.00 0.00 C ATOM 0 H THR A 106 9.271 -11.937 -3.435 1.00 0.00 H new ATOM 0 HA THR A 106 9.488 -12.288 -0.515 1.00 0.00 H new ATOM 0 HB THR A 106 11.838 -12.672 -2.366 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.982 -14.466 -3.113 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.619 -14.122 -0.530 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.242 -12.481 0.044 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.104 -13.814 0.352 1.00 0.00 H new ATOM 1641 N LYS A 107 11.364 -10.396 -0.417 1.00 0.00 N ATOM 1642 CA LYS A 107 11.994 -9.088 -0.275 1.00 0.00 C ATOM 1643 C LYS A 107 13.385 -9.084 -0.901 1.00 0.00 C ATOM 1644 O LYS A 107 14.267 -9.831 -0.482 1.00 0.00 O ATOM 1645 CB LYS A 107 12.087 -8.702 1.203 1.00 0.00 C ATOM 1646 CG LYS A 107 12.038 -7.203 1.443 1.00 0.00 C ATOM 1647 CD LYS A 107 10.612 -6.715 1.636 1.00 0.00 C ATOM 1648 CE LYS A 107 10.101 -7.023 3.035 1.00 0.00 C ATOM 1649 NZ LYS A 107 10.625 -6.057 4.041 1.00 0.00 N ATOM 0 H LYS A 107 11.589 -11.055 0.328 1.00 0.00 H new ATOM 0 HA LYS A 107 11.377 -8.356 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.269 -9.176 1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.015 -9.098 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.631 -6.955 2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.490 -6.683 0.598 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.567 -5.640 1.460 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.962 -7.186 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 107 9.011 -6.996 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.395 -8.035 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.254 -6.300 4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.664 -6.101 4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.323 -5.094 3.788 1.00 0.00 H new ATOM 1663 N ALA A 108 13.573 -8.235 -1.907 1.00 0.00 N ATOM 1664 CA ALA A 108 14.858 -8.131 -2.588 1.00 0.00 C ATOM 1665 C ALA A 108 15.769 -7.126 -1.891 1.00 0.00 C ATOM 1666 O ALA A 108 16.913 -7.438 -1.557 1.00 0.00 O ATOM 1667 CB ALA A 108 14.653 -7.739 -4.044 1.00 0.00 C ATOM 0 H ALA A 108 12.852 -7.610 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 108 15.342 -9.107 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.621 -7.665 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.046 -8.495 -4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 108 14.145 -6.776 -4.093 1.00 0.00 H new TER 1673 ALA A 108