USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 815 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 62 CYS SG : rot 164:sc= 0.565 USER MOD Set 1.2: A 64 TYR OH : rot -112:sc= 0.408 USER MOD Set 2.1: A 59 TYR OH : rot 180:sc= 1.08 USER MOD Set 2.2: A 106 THR OG1 : rot 140:sc= 1.24 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.011 (180deg=-0.236) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0 (180deg=-0.176) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 80:sc= 1.27 USER MOD Single : A 17 SER OG : rot -130:sc= 0.139 USER MOD Single : A 22 ASN : amide:sc=-0.00773 K(o=-0.0077,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 31 GLN : amide:sc= 0.0393 K(o=0.039,f=-0.67) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -67:sc= 1.24 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -67:sc= 1.11 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0339 X(o=-0.034,f=-0.036) USER MOD Single : A 67 GLN : amide:sc= 1.28 K(o=1.3,f=-5.8!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 72 SER OG : rot 73:sc= 0.81 USER MOD Single : A 74 MET CE :methyl -163:sc= -0.26 (180deg=-0.766) USER MOD Single : A 76 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.4!) USER MOD Single : A 78 ASN : amide:sc= 0.658 K(o=0.66,f=-2.3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.412 K(o=0.41,f=-9.6!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.219 K(o=0.22,f=-1.4!) USER MOD Single : A 98 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.2) USER MOD Single : A 102 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.16) USER MOD Single : A 103 SER OG : rot -46:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.201 1.716 2.280 1.00 0.00 N ATOM 2 CA MET A 1 2.739 2.714 3.198 1.00 0.00 C ATOM 3 C MET A 1 2.771 4.094 2.554 1.00 0.00 C ATOM 4 O MET A 1 3.821 4.556 2.106 1.00 0.00 O ATOM 5 CB MET A 1 4.137 2.308 3.659 1.00 0.00 C ATOM 6 CG MET A 1 4.180 1.035 4.493 1.00 0.00 C ATOM 7 SD MET A 1 5.858 0.567 4.961 1.00 0.00 S ATOM 8 CE MET A 1 6.252 1.856 6.140 1.00 0.00 C ATOM 0 H1 MET A 1 1.969 0.850 2.806 1.00 0.00 H new ATOM 0 H2 MET A 1 1.341 2.088 1.828 1.00 0.00 H new ATOM 0 H3 MET A 1 2.909 1.498 1.550 1.00 0.00 H new ATOM 0 HA MET A 1 2.082 2.765 4.066 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.771 2.175 2.782 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.565 3.124 4.241 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.582 1.175 5.393 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.724 0.221 3.930 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.154 1.584 6.688 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.418 2.795 5.611 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.424 1.975 6.839 1.00 0.00 H new ATOM 18 N ALA A 2 1.616 4.749 2.511 1.00 0.00 N ATOM 19 CA ALA A 2 1.512 6.082 1.931 1.00 0.00 C ATOM 20 C ALA A 2 2.386 7.079 2.682 1.00 0.00 C ATOM 21 O ALA A 2 2.200 7.304 3.878 1.00 0.00 O ATOM 22 CB ALA A 2 0.063 6.547 1.927 1.00 0.00 C ATOM 0 H ALA A 2 0.737 4.377 2.872 1.00 0.00 H new ATOM 0 HA ALA A 2 1.868 6.030 0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.002 7.544 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.539 5.856 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.313 6.575 2.950 1.00 0.00 H new ATOM 28 N GLY A 3 3.339 7.674 1.973 1.00 0.00 N ATOM 29 CA GLY A 3 4.262 8.626 2.579 1.00 0.00 C ATOM 30 C GLY A 3 5.700 8.129 2.495 1.00 0.00 C ATOM 31 O GLY A 3 6.643 8.888 2.716 1.00 0.00 O ATOM 0 H GLY A 3 3.492 7.514 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.177 9.589 2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.990 8.786 3.622 1.00 0.00 H new ATOM 35 N LEU A 4 5.860 6.850 2.174 1.00 0.00 N ATOM 36 CA LEU A 4 7.184 6.261 2.014 1.00 0.00 C ATOM 37 C LEU A 4 7.643 6.322 0.563 1.00 0.00 C ATOM 38 O LEU A 4 7.138 5.591 -0.289 1.00 0.00 O ATOM 39 CB LEU A 4 7.177 4.804 2.493 1.00 0.00 C ATOM 40 CG LEU A 4 8.508 4.053 2.361 1.00 0.00 C ATOM 41 CD1 LEU A 4 9.565 4.737 3.219 1.00 0.00 C ATOM 42 CD2 LEU A 4 8.318 2.603 2.780 1.00 0.00 C ATOM 0 H LEU A 4 5.089 6.201 2.019 1.00 0.00 H new ATOM 0 HA LEU A 4 7.882 6.839 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.874 4.787 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.417 4.260 1.932 1.00 0.00 H new ATOM 0 HG LEU A 4 8.843 4.069 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.511 4.203 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.694 5.766 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.247 4.731 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.264 2.070 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.981 2.565 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.572 2.134 2.139 1.00 0.00 H new ATOM 54 N THR A 5 8.603 7.199 0.287 1.00 0.00 N ATOM 55 CA THR A 5 9.147 7.341 -1.058 1.00 0.00 C ATOM 56 C THR A 5 9.849 6.066 -1.506 1.00 0.00 C ATOM 57 O THR A 5 10.684 5.519 -0.786 1.00 0.00 O ATOM 58 CB THR A 5 10.127 8.526 -1.136 1.00 0.00 C ATOM 59 OG1 THR A 5 9.450 9.736 -0.770 1.00 0.00 O ATOM 60 CG2 THR A 5 10.682 8.667 -2.545 1.00 0.00 C ATOM 0 H THR A 5 9.020 7.822 0.978 1.00 0.00 H new ATOM 0 HA THR A 5 8.308 7.532 -1.727 1.00 0.00 H new ATOM 0 HB THR A 5 10.952 8.341 -0.448 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.076 10.489 -0.819 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.373 9.509 -2.581 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.209 7.754 -2.822 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.863 8.839 -3.243 1.00 0.00 H new ATOM 68 N VAL A 6 9.505 5.597 -2.701 1.00 0.00 N ATOM 69 CA VAL A 6 10.096 4.380 -3.245 1.00 0.00 C ATOM 70 C VAL A 6 11.220 4.702 -4.222 1.00 0.00 C ATOM 71 O VAL A 6 11.075 5.568 -5.085 1.00 0.00 O ATOM 72 CB VAL A 6 9.023 3.538 -3.960 1.00 0.00 C ATOM 73 CG1 VAL A 6 9.644 2.291 -4.571 1.00 0.00 C ATOM 74 CG2 VAL A 6 7.919 3.167 -2.982 1.00 0.00 C ATOM 0 H VAL A 6 8.819 6.042 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 6 10.510 3.812 -2.412 1.00 0.00 H new ATOM 0 HB VAL A 6 8.590 4.129 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.871 1.708 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.406 2.581 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.100 1.689 -3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.164 2.572 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.340 2.589 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.461 4.075 -2.589 1.00 0.00 H new ATOM 84 N ARG A 7 12.339 4.000 -4.081 1.00 0.00 N ATOM 85 CA ARG A 7 13.520 4.270 -4.893 1.00 0.00 C ATOM 86 C ARG A 7 13.221 4.093 -6.376 1.00 0.00 C ATOM 87 O ARG A 7 13.639 4.902 -7.204 1.00 0.00 O ATOM 88 CB ARG A 7 14.664 3.349 -4.496 1.00 0.00 C ATOM 89 CG ARG A 7 15.280 3.643 -3.137 1.00 0.00 C ATOM 90 CD ARG A 7 16.349 2.670 -2.796 1.00 0.00 C ATOM 91 NE ARG A 7 16.942 2.948 -1.498 1.00 0.00 N ATOM 92 CZ ARG A 7 17.830 2.148 -0.876 1.00 0.00 C ATOM 93 NH1 ARG A 7 18.217 1.028 -1.444 1.00 0.00 N ATOM 94 NH2 ARG A 7 18.312 2.490 0.307 1.00 0.00 N ATOM 0 H ARG A 7 12.453 3.239 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 7 13.810 5.305 -4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 7 14.302 2.321 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 7 15.444 3.415 -5.254 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.692 4.652 -3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.504 3.614 -2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.936 1.661 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 7 17.124 2.698 -3.562 1.00 0.00 H new ATOM 0 HE ARG A 7 16.667 3.809 -1.025 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.845 0.764 -2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.889 0.423 -0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 7 18.011 3.359 0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.984 1.885 0.778 1.00 0.00 H new ATOM 108 N ASP A 8 12.495 3.030 -6.706 1.00 0.00 N ATOM 109 CA ASP A 8 12.070 2.789 -8.079 1.00 0.00 C ATOM 110 C ASP A 8 11.005 3.788 -8.510 1.00 0.00 C ATOM 111 O ASP A 8 9.894 3.794 -7.979 1.00 0.00 O ATOM 112 CB ASP A 8 11.534 1.364 -8.232 1.00 0.00 C ATOM 113 CG ASP A 8 11.187 1.012 -9.673 1.00 0.00 C ATOM 114 OD1 ASP A 8 11.136 1.905 -10.486 1.00 0.00 O ATOM 115 OD2 ASP A 8 10.975 -0.145 -9.947 1.00 0.00 O ATOM 0 H ASP A 8 12.189 2.321 -6.040 1.00 0.00 H new ATOM 0 HA ASP A 8 12.941 2.915 -8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.278 0.660 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.646 1.247 -7.611 1.00 0.00 H new ATOM 120 N PRO A 9 11.349 4.633 -9.476 1.00 0.00 N ATOM 121 CA PRO A 9 10.429 5.652 -9.967 1.00 0.00 C ATOM 122 C PRO A 9 9.115 5.033 -10.426 1.00 0.00 C ATOM 123 O PRO A 9 8.043 5.600 -10.214 1.00 0.00 O ATOM 124 CB PRO A 9 11.198 6.277 -11.135 1.00 0.00 C ATOM 125 CG PRO A 9 12.631 6.096 -10.769 1.00 0.00 C ATOM 126 CD PRO A 9 12.684 4.735 -10.128 1.00 0.00 C ATOM 0 HA PRO A 9 10.146 6.381 -9.207 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.962 5.782 -12.077 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.948 7.331 -11.257 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.275 6.147 -11.647 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.967 6.872 -10.082 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.837 3.946 -10.864 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.496 4.659 -9.405 1.00 0.00 H new ATOM 134 N ALA A 10 9.205 3.867 -11.056 1.00 0.00 N ATOM 135 CA ALA A 10 8.035 3.217 -11.636 1.00 0.00 C ATOM 136 C ALA A 10 7.018 2.853 -10.562 1.00 0.00 C ATOM 137 O ALA A 10 5.818 3.070 -10.730 1.00 0.00 O ATOM 138 CB ALA A 10 8.449 1.977 -12.414 1.00 0.00 C ATOM 0 H ALA A 10 10.077 3.352 -11.178 1.00 0.00 H new ATOM 0 HA ALA A 10 7.564 3.922 -12.321 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.565 1.503 -12.841 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.131 2.261 -13.215 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.948 1.277 -11.744 1.00 0.00 H new ATOM 144 N VAL A 11 7.505 2.298 -9.457 1.00 0.00 N ATOM 145 CA VAL A 11 6.640 1.905 -8.351 1.00 0.00 C ATOM 146 C VAL A 11 6.099 3.124 -7.615 1.00 0.00 C ATOM 147 O VAL A 11 4.919 3.179 -7.269 1.00 0.00 O ATOM 148 CB VAL A 11 7.410 1.010 -7.362 1.00 0.00 C ATOM 149 CG1 VAL A 11 6.565 0.731 -6.128 1.00 0.00 C ATOM 150 CG2 VAL A 11 7.814 -0.288 -8.044 1.00 0.00 C ATOM 0 H VAL A 11 8.496 2.110 -9.304 1.00 0.00 H new ATOM 0 HA VAL A 11 5.800 1.349 -8.768 1.00 0.00 H new ATOM 0 HB VAL A 11 8.313 1.531 -7.043 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.124 0.097 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.318 1.672 -5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.646 0.224 -6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.358 -0.916 -7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.922 -0.814 -8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.452 -0.066 -8.899 1.00 0.00 H new ATOM 160 N ASP A 12 6.969 4.099 -7.378 1.00 0.00 N ATOM 161 CA ASP A 12 6.578 5.324 -6.689 1.00 0.00 C ATOM 162 C ASP A 12 5.439 6.026 -7.417 1.00 0.00 C ATOM 163 O ASP A 12 4.470 6.463 -6.796 1.00 0.00 O ATOM 164 CB ASP A 12 7.773 6.273 -6.563 1.00 0.00 C ATOM 165 CG ASP A 12 7.510 7.431 -5.610 1.00 0.00 C ATOM 166 OD1 ASP A 12 7.590 7.228 -4.422 1.00 0.00 O ATOM 167 OD2 ASP A 12 7.233 8.509 -6.080 1.00 0.00 O ATOM 0 H ASP A 12 7.951 4.065 -7.653 1.00 0.00 H new ATOM 0 HA ASP A 12 6.233 5.047 -5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.641 5.713 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.022 6.668 -7.548 1.00 0.00 H new ATOM 172 N ARG A 13 5.561 6.130 -8.735 1.00 0.00 N ATOM 173 CA ARG A 13 4.524 6.745 -9.555 1.00 0.00 C ATOM 174 C ARG A 13 3.262 5.893 -9.577 1.00 0.00 C ATOM 175 O ARG A 13 2.148 6.416 -9.559 1.00 0.00 O ATOM 176 CB ARG A 13 5.018 6.951 -10.979 1.00 0.00 C ATOM 177 CG ARG A 13 6.117 7.991 -11.131 1.00 0.00 C ATOM 178 CD ARG A 13 6.453 8.231 -12.558 1.00 0.00 C ATOM 179 NE ARG A 13 5.419 8.995 -13.238 1.00 0.00 N ATOM 180 CZ ARG A 13 5.269 9.056 -14.575 1.00 0.00 C ATOM 181 NH1 ARG A 13 6.091 8.396 -15.360 1.00 0.00 N ATOM 182 NH2 ARG A 13 4.295 9.781 -15.098 1.00 0.00 N ATOM 0 H ARG A 13 6.369 5.796 -9.260 1.00 0.00 H new ATOM 0 HA ARG A 13 4.287 7.712 -9.111 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.384 5.998 -11.363 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.173 7.243 -11.603 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.799 8.926 -10.670 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.008 7.659 -10.598 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.401 8.765 -12.623 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.590 7.275 -13.064 1.00 0.00 H new ATOM 0 HE ARG A 13 4.762 9.521 -12.662 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.843 7.837 -14.957 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.977 8.443 -16.373 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.658 10.294 -14.489 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.181 9.827 -16.111 1.00 0.00 H new ATOM 196 N SER A 14 3.443 4.577 -9.615 1.00 0.00 N ATOM 197 CA SER A 14 2.318 3.650 -9.635 1.00 0.00 C ATOM 198 C SER A 14 1.490 3.760 -8.361 1.00 0.00 C ATOM 199 O SER A 14 0.265 3.647 -8.393 1.00 0.00 O ATOM 200 CB SER A 14 2.817 2.228 -9.802 1.00 0.00 C ATOM 201 OG SER A 14 3.409 2.048 -11.060 1.00 0.00 O ATOM 0 H SER A 14 4.359 4.128 -9.633 1.00 0.00 H new ATOM 0 HA SER A 14 1.682 3.912 -10.480 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.540 1.998 -9.020 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.987 1.531 -9.684 1.00 0.00 H new ATOM 0 HG SER A 14 4.323 2.402 -11.045 1.00 0.00 H new ATOM 207 N LEU A 15 2.167 3.982 -7.239 1.00 0.00 N ATOM 208 CA LEU A 15 1.494 4.126 -5.954 1.00 0.00 C ATOM 209 C LEU A 15 0.738 5.445 -5.872 1.00 0.00 C ATOM 210 O LEU A 15 -0.362 5.509 -5.322 1.00 0.00 O ATOM 211 CB LEU A 15 2.512 4.041 -4.810 1.00 0.00 C ATOM 212 CG LEU A 15 3.154 2.665 -4.591 1.00 0.00 C ATOM 213 CD1 LEU A 15 4.256 2.779 -3.546 1.00 0.00 C ATOM 214 CD2 LEU A 15 2.088 1.671 -4.156 1.00 0.00 C ATOM 0 H LEU A 15 3.183 4.066 -7.194 1.00 0.00 H new ATOM 0 HA LEU A 15 0.775 3.312 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.304 4.765 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.018 4.342 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 15 3.598 2.308 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.712 1.801 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.014 3.482 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.832 3.135 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.544 0.693 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.632 2.011 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.323 1.596 -4.929 1.00 0.00 H new ATOM 226 N ARG A 16 1.333 6.498 -6.424 1.00 0.00 N ATOM 227 CA ARG A 16 0.726 7.823 -6.397 1.00 0.00 C ATOM 228 C ARG A 16 -0.336 7.965 -7.480 1.00 0.00 C ATOM 229 O ARG A 16 -1.199 8.840 -7.407 1.00 0.00 O ATOM 230 CB ARG A 16 1.783 8.901 -6.583 1.00 0.00 C ATOM 231 CG ARG A 16 2.671 9.142 -5.373 1.00 0.00 C ATOM 232 CD ARG A 16 3.573 10.305 -5.576 1.00 0.00 C ATOM 233 NE ARG A 16 4.733 9.957 -6.380 1.00 0.00 N ATOM 234 CZ ARG A 16 4.891 10.287 -7.677 1.00 0.00 C ATOM 235 NH1 ARG A 16 3.957 10.970 -8.300 1.00 0.00 N ATOM 236 NH2 ARG A 16 5.986 9.923 -8.322 1.00 0.00 N ATOM 0 H ARG A 16 2.236 6.458 -6.896 1.00 0.00 H new ATOM 0 HA ARG A 16 0.252 7.945 -5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.413 8.629 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.286 9.836 -6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.050 9.313 -4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.266 8.250 -5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.023 11.111 -6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.902 10.683 -4.608 1.00 0.00 H new ATOM 0 HE ARG A 16 5.479 9.426 -5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.112 11.250 -7.802 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.077 11.220 -9.282 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.711 9.393 -7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.106 10.172 -9.304 1.00 0.00 H new ATOM 250 N SER A 17 -0.267 7.098 -8.485 1.00 0.00 N ATOM 251 CA SER A 17 -1.281 7.058 -9.532 1.00 0.00 C ATOM 252 C SER A 17 -2.471 6.204 -9.114 1.00 0.00 C ATOM 253 O SER A 17 -2.309 5.058 -8.695 1.00 0.00 O ATOM 254 CB SER A 17 -0.684 6.515 -10.816 1.00 0.00 C ATOM 255 OG SER A 17 -1.665 6.378 -11.807 1.00 0.00 O ATOM 0 H SER A 17 0.481 6.413 -8.596 1.00 0.00 H new ATOM 0 HA SER A 17 -1.633 8.076 -9.699 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.102 7.184 -11.167 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.218 5.548 -10.624 1.00 0.00 H new ATOM 0 HG SER A 17 -1.612 5.481 -12.198 1.00 0.00 H new ATOM 261 N VAL A 18 -3.668 6.770 -9.229 1.00 0.00 N ATOM 262 CA VAL A 18 -4.892 6.043 -8.914 1.00 0.00 C ATOM 263 C VAL A 18 -5.726 5.800 -10.166 1.00 0.00 C ATOM 264 O VAL A 18 -5.630 6.544 -11.141 1.00 0.00 O ATOM 265 CB VAL A 18 -5.730 6.828 -7.887 1.00 0.00 C ATOM 266 CG1 VAL A 18 -4.932 7.055 -6.612 1.00 0.00 C ATOM 267 CG2 VAL A 18 -6.177 8.152 -8.487 1.00 0.00 C ATOM 0 H VAL A 18 -3.816 7.731 -9.538 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.606 5.079 -8.493 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.615 6.245 -7.632 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.539 7.611 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.653 6.093 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.031 7.624 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.769 8.702 -7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.302 8.741 -8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.781 7.964 -9.375 1.00 0.00 H new ATOM 277 N PHE A 19 -6.545 4.754 -10.131 1.00 0.00 N ATOM 278 CA PHE A 19 -7.489 4.484 -11.209 1.00 0.00 C ATOM 279 C PHE A 19 -8.852 5.096 -10.912 1.00 0.00 C ATOM 280 O PHE A 19 -9.430 4.864 -9.850 1.00 0.00 O ATOM 281 CB PHE A 19 -7.637 2.977 -11.424 1.00 0.00 C ATOM 282 CG PHE A 19 -8.644 2.611 -12.477 1.00 0.00 C ATOM 283 CD1 PHE A 19 -8.408 2.899 -13.813 1.00 0.00 C ATOM 284 CD2 PHE A 19 -9.830 1.980 -12.134 1.00 0.00 C ATOM 285 CE1 PHE A 19 -9.334 2.563 -14.783 1.00 0.00 C ATOM 286 CE2 PHE A 19 -10.757 1.642 -13.101 1.00 0.00 C ATOM 287 CZ PHE A 19 -10.508 1.935 -14.427 1.00 0.00 C ATOM 0 H PHE A 19 -6.574 4.079 -9.367 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.095 4.940 -12.117 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.668 2.562 -11.701 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.925 2.511 -10.481 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.490 3.391 -14.099 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.032 1.750 -11.098 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.137 2.793 -15.820 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.676 1.149 -12.820 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.232 1.672 -15.184 1.00 0.00 H new ATOM 297 N VAL A 20 -9.362 5.878 -11.858 1.00 0.00 N ATOM 298 CA VAL A 20 -10.645 6.549 -11.687 1.00 0.00 C ATOM 299 C VAL A 20 -11.673 6.034 -12.686 1.00 0.00 C ATOM 300 O VAL A 20 -11.472 6.118 -13.897 1.00 0.00 O ATOM 301 CB VAL A 20 -10.480 8.071 -11.863 1.00 0.00 C ATOM 302 CG1 VAL A 20 -11.810 8.778 -11.656 1.00 0.00 C ATOM 303 CG2 VAL A 20 -9.433 8.594 -10.892 1.00 0.00 C ATOM 0 H VAL A 20 -8.906 6.063 -12.751 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.000 6.334 -10.679 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.144 8.275 -12.880 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.675 9.852 -11.784 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.533 8.414 -12.386 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.177 8.576 -10.650 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.322 9.670 -11.022 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.747 8.383 -9.870 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.479 8.104 -11.087 1.00 0.00 H new ATOM 313 N GLY A 21 -12.775 5.500 -12.170 1.00 0.00 N ATOM 314 CA GLY A 21 -13.841 4.976 -13.016 1.00 0.00 C ATOM 315 C GLY A 21 -15.127 5.772 -12.839 1.00 0.00 C ATOM 316 O GLY A 21 -15.159 6.765 -12.112 1.00 0.00 O ATOM 0 H GLY A 21 -12.953 5.419 -11.169 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.530 5.010 -14.060 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.022 3.929 -12.771 1.00 0.00 H new ATOM 320 N ASN A 22 -16.187 5.331 -13.508 1.00 0.00 N ATOM 321 CA ASN A 22 -17.488 5.981 -13.398 1.00 0.00 C ATOM 322 C ASN A 22 -17.406 7.448 -13.797 1.00 0.00 C ATOM 323 O ASN A 22 -17.973 8.315 -13.131 1.00 0.00 O ATOM 324 CB ASN A 22 -18.037 5.840 -11.990 1.00 0.00 C ATOM 325 CG ASN A 22 -18.287 4.407 -11.608 1.00 0.00 C ATOM 326 OD1 ASN A 22 -18.439 3.538 -12.475 1.00 0.00 O ATOM 327 ND2 ASN A 22 -18.333 4.144 -10.327 1.00 0.00 N ATOM 0 H ASN A 22 -16.171 4.525 -14.133 1.00 0.00 H new ATOM 0 HA ASN A 22 -18.171 5.484 -14.088 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.335 6.283 -11.284 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -18.968 6.402 -11.909 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.500 3.190 -10.008 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -18.202 4.893 -9.647 1.00 0.00 H new ATOM 334 N ILE A 23 -16.697 7.721 -14.887 1.00 0.00 N ATOM 335 CA ILE A 23 -16.597 9.076 -15.417 1.00 0.00 C ATOM 336 C ILE A 23 -17.606 9.306 -16.535 1.00 0.00 C ATOM 337 O ILE A 23 -17.650 8.555 -17.508 1.00 0.00 O ATOM 338 CB ILE A 23 -15.177 9.358 -15.940 1.00 0.00 C ATOM 339 CG1 ILE A 23 -14.153 9.210 -14.811 1.00 0.00 C ATOM 340 CG2 ILE A 23 -15.102 10.748 -16.552 1.00 0.00 C ATOM 341 CD1 ILE A 23 -12.717 9.219 -15.284 1.00 0.00 C ATOM 0 H ILE A 23 -16.182 7.021 -15.421 1.00 0.00 H new ATOM 0 HA ILE A 23 -16.818 9.761 -14.599 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.942 8.629 -16.715 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.295 10.020 -14.096 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.345 8.278 -14.279 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -14.091 10.931 -16.917 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -15.805 10.819 -17.382 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -15.355 11.492 -15.797 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.051 9.110 -14.428 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.557 8.392 -15.976 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.506 10.161 -15.790 1.00 0.00 H new ATOM 353 N PRO A 24 -18.415 10.350 -16.389 1.00 0.00 N ATOM 354 CA PRO A 24 -19.400 10.703 -17.404 1.00 0.00 C ATOM 355 C PRO A 24 -18.735 11.337 -18.619 1.00 0.00 C ATOM 356 O PRO A 24 -17.699 11.992 -18.501 1.00 0.00 O ATOM 357 CB PRO A 24 -20.307 11.699 -16.673 1.00 0.00 C ATOM 358 CG PRO A 24 -19.404 12.362 -15.690 1.00 0.00 C ATOM 359 CD PRO A 24 -18.489 11.262 -15.221 1.00 0.00 C ATOM 0 HA PRO A 24 -19.943 9.843 -17.796 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.743 12.421 -17.363 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -21.135 11.193 -16.176 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.844 13.175 -16.151 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.966 12.792 -14.861 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.506 11.646 -14.949 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.888 10.756 -14.342 1.00 0.00 H new ATOM 367 N TYR A 25 -19.336 11.138 -19.787 1.00 0.00 N ATOM 368 CA TYR A 25 -18.767 11.632 -21.036 1.00 0.00 C ATOM 369 C TYR A 25 -18.735 13.154 -21.063 1.00 0.00 C ATOM 370 O TYR A 25 -17.979 13.755 -21.826 1.00 0.00 O ATOM 371 CB TYR A 25 -19.557 11.096 -22.232 1.00 0.00 C ATOM 372 CG TYR A 25 -20.931 11.710 -22.381 1.00 0.00 C ATOM 373 CD1 TYR A 25 -21.103 12.848 -23.154 1.00 0.00 C ATOM 374 CD2 TYR A 25 -22.020 11.134 -21.743 1.00 0.00 C ATOM 375 CE1 TYR A 25 -22.359 13.408 -23.290 1.00 0.00 C ATOM 376 CE2 TYR A 25 -23.276 11.694 -21.878 1.00 0.00 C ATOM 377 CZ TYR A 25 -23.446 12.827 -22.648 1.00 0.00 C ATOM 378 OH TYR A 25 -24.697 13.385 -22.783 1.00 0.00 O ATOM 0 H TYR A 25 -20.218 10.637 -19.895 1.00 0.00 H new ATOM 0 HA TYR A 25 -17.740 11.272 -21.102 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -18.987 11.278 -23.143 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.661 10.016 -22.132 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -20.255 13.297 -23.650 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -21.886 10.248 -21.141 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -22.495 14.294 -23.893 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -24.124 11.246 -21.382 1.00 0.00 H new ATOM 0 HH TYR A 25 -25.347 12.858 -22.273 1.00 0.00 H new ATOM 388 N GLU A 26 -19.560 13.773 -20.226 1.00 0.00 N ATOM 389 CA GLU A 26 -19.621 15.228 -20.145 1.00 0.00 C ATOM 390 C GLU A 26 -18.418 15.789 -19.398 1.00 0.00 C ATOM 391 O GLU A 26 -18.090 16.968 -19.527 1.00 0.00 O ATOM 392 CB GLU A 26 -20.914 15.671 -19.457 1.00 0.00 C ATOM 393 CG GLU A 26 -22.181 15.366 -20.243 1.00 0.00 C ATOM 394 CD GLU A 26 -23.430 15.820 -19.539 1.00 0.00 C ATOM 395 OE1 GLU A 26 -23.337 16.216 -18.402 1.00 0.00 O ATOM 396 OE2 GLU A 26 -24.478 15.769 -20.139 1.00 0.00 O ATOM 0 H GLU A 26 -20.197 13.289 -19.593 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.606 15.619 -21.162 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -20.979 15.184 -18.484 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -20.864 16.744 -19.274 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -22.123 15.850 -21.218 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.241 14.293 -20.423 1.00 0.00 H new ATOM 403 N ALA A 27 -17.765 14.937 -18.615 1.00 0.00 N ATOM 404 CA ALA A 27 -16.629 15.359 -17.804 1.00 0.00 C ATOM 405 C ALA A 27 -15.320 15.209 -18.569 1.00 0.00 C ATOM 406 O ALA A 27 -15.206 14.372 -19.464 1.00 0.00 O ATOM 407 CB ALA A 27 -16.578 14.563 -16.508 1.00 0.00 C ATOM 0 H ALA A 27 -18.003 13.949 -18.525 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.761 16.414 -17.565 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -15.725 14.890 -15.914 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.497 14.726 -15.944 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.476 13.502 -16.736 1.00 0.00 H new ATOM 413 N THR A 28 -14.335 16.025 -18.211 1.00 0.00 N ATOM 414 CA THR A 28 -13.003 15.921 -18.796 1.00 0.00 C ATOM 415 C THR A 28 -11.922 16.141 -17.746 1.00 0.00 C ATOM 416 O THR A 28 -12.216 16.299 -16.561 1.00 0.00 O ATOM 417 CB THR A 28 -12.822 16.931 -19.944 1.00 0.00 C ATOM 418 OG1 THR A 28 -11.590 16.666 -20.627 1.00 0.00 O ATOM 419 CG2 THR A 28 -12.803 18.354 -19.406 1.00 0.00 C ATOM 0 H THR A 28 -14.434 16.767 -17.518 1.00 0.00 H new ATOM 0 HA THR A 28 -12.904 14.912 -19.195 1.00 0.00 H new ATOM 0 HB THR A 28 -13.659 16.826 -20.635 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.477 17.308 -21.358 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.674 19.054 -20.232 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.744 18.563 -18.897 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.977 18.466 -18.703 1.00 0.00 H new ATOM 427 N GLU A 29 -10.668 16.150 -18.188 1.00 0.00 N ATOM 428 CA GLU A 29 -9.534 16.216 -17.274 1.00 0.00 C ATOM 429 C GLU A 29 -9.507 17.542 -16.524 1.00 0.00 C ATOM 430 O GLU A 29 -9.117 17.600 -15.358 1.00 0.00 O ATOM 431 CB GLU A 29 -8.222 16.024 -18.037 1.00 0.00 C ATOM 432 CG GLU A 29 -7.990 14.607 -18.541 1.00 0.00 C ATOM 433 CD GLU A 29 -6.701 14.460 -19.300 1.00 0.00 C ATOM 434 OE1 GLU A 29 -6.171 15.455 -19.733 1.00 0.00 O ATOM 435 OE2 GLU A 29 -6.245 13.350 -19.449 1.00 0.00 O ATOM 0 H GLU A 29 -10.412 16.112 -19.175 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.646 15.412 -16.546 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.207 16.706 -18.887 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.393 16.306 -17.387 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.987 13.921 -17.694 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.820 14.315 -19.184 1.00 0.00 H new ATOM 442 N GLU A 30 -9.924 18.607 -17.201 1.00 0.00 N ATOM 443 CA GLU A 30 -10.004 19.925 -16.583 1.00 0.00 C ATOM 444 C GLU A 30 -11.035 19.947 -15.463 1.00 0.00 C ATOM 445 O GLU A 30 -10.810 20.542 -14.409 1.00 0.00 O ATOM 446 CB GLU A 30 -10.351 20.986 -17.630 1.00 0.00 C ATOM 447 CG GLU A 30 -9.247 21.253 -18.644 1.00 0.00 C ATOM 448 CD GLU A 30 -9.653 22.239 -19.704 1.00 0.00 C ATOM 449 OE1 GLU A 30 -10.808 22.588 -19.753 1.00 0.00 O ATOM 450 OE2 GLU A 30 -8.807 22.643 -20.467 1.00 0.00 O ATOM 0 H GLU A 30 -10.212 18.583 -18.179 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.027 20.151 -16.155 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.249 20.673 -18.163 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.592 21.918 -17.119 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.366 21.628 -18.124 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.961 20.314 -19.118 1.00 0.00 H new ATOM 457 N GLN A 31 -12.169 19.294 -15.697 1.00 0.00 N ATOM 458 CA GLN A 31 -13.207 19.174 -14.680 1.00 0.00 C ATOM 459 C GLN A 31 -12.758 18.272 -13.538 1.00 0.00 C ATOM 460 O GLN A 31 -13.019 18.558 -12.369 1.00 0.00 O ATOM 461 CB GLN A 31 -14.500 18.633 -15.296 1.00 0.00 C ATOM 462 CG GLN A 31 -15.179 19.591 -16.261 1.00 0.00 C ATOM 463 CD GLN A 31 -16.413 18.987 -16.903 1.00 0.00 C ATOM 464 OE1 GLN A 31 -17.297 18.467 -16.216 1.00 0.00 O ATOM 465 NE2 GLN A 31 -16.482 19.053 -18.228 1.00 0.00 N ATOM 0 H GLN A 31 -12.392 18.840 -16.583 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.394 20.169 -14.277 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.278 17.703 -15.820 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.197 18.388 -14.494 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.458 20.501 -15.730 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.473 19.880 -17.039 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.728 19.492 -18.757 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.289 18.665 -18.717 1.00 0.00 H new ATOM 474 N LEU A 32 -12.082 17.182 -13.883 1.00 0.00 N ATOM 475 CA LEU A 32 -11.536 16.271 -12.883 1.00 0.00 C ATOM 476 C LEU A 32 -10.449 16.946 -12.058 1.00 0.00 C ATOM 477 O LEU A 32 -10.299 16.671 -10.867 1.00 0.00 O ATOM 478 CB LEU A 32 -10.968 15.019 -13.562 1.00 0.00 C ATOM 479 CG LEU A 32 -11.999 14.090 -14.216 1.00 0.00 C ATOM 480 CD1 LEU A 32 -11.278 12.996 -14.992 1.00 0.00 C ATOM 481 CD2 LEU A 32 -12.899 13.496 -13.143 1.00 0.00 C ATOM 0 H LEU A 32 -11.899 16.907 -14.848 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.347 15.984 -12.213 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.255 15.333 -14.324 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.410 14.447 -12.820 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.619 14.654 -14.913 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.011 12.336 -15.457 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.655 13.448 -15.764 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.651 12.420 -14.311 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.632 12.836 -13.607 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.295 12.928 -12.435 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.416 14.298 -12.616 1.00 0.00 H new ATOM 493 N LYS A 33 -9.692 17.832 -12.696 1.00 0.00 N ATOM 494 CA LYS A 33 -8.668 18.605 -12.004 1.00 0.00 C ATOM 495 C LYS A 33 -9.258 19.373 -10.828 1.00 0.00 C ATOM 496 O LYS A 33 -8.747 19.306 -9.711 1.00 0.00 O ATOM 497 CB LYS A 33 -7.981 19.571 -12.971 1.00 0.00 C ATOM 498 CG LYS A 33 -6.879 20.413 -12.342 1.00 0.00 C ATOM 499 CD LYS A 33 -6.200 21.297 -13.378 1.00 0.00 C ATOM 500 CE LYS A 33 -5.121 22.164 -12.745 1.00 0.00 C ATOM 501 NZ LYS A 33 -4.451 23.038 -13.746 1.00 0.00 N ATOM 0 H LYS A 33 -9.769 18.033 -13.693 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.927 17.905 -11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.558 18.999 -13.797 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.733 20.237 -13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.299 21.033 -11.550 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.140 19.760 -11.877 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.759 20.675 -14.157 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.943 21.932 -13.860 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.564 22.781 -11.963 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.378 21.526 -12.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.723 23.612 -13.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.006 22.449 -14.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.155 23.665 -14.186 1.00 0.00 H new ATOM 515 N ASP A 34 -10.338 20.103 -11.087 1.00 0.00 N ATOM 516 CA ASP A 34 -11.029 20.846 -10.040 1.00 0.00 C ATOM 517 C ASP A 34 -11.474 19.925 -8.912 1.00 0.00 C ATOM 518 O ASP A 34 -11.323 20.251 -7.735 1.00 0.00 O ATOM 519 CB ASP A 34 -12.243 21.581 -10.616 1.00 0.00 C ATOM 520 CG ASP A 34 -11.858 22.774 -11.480 1.00 0.00 C ATOM 521 OD1 ASP A 34 -10.730 23.200 -11.403 1.00 0.00 O ATOM 522 OD2 ASP A 34 -12.697 23.248 -12.209 1.00 0.00 O ATOM 0 H ASP A 34 -10.754 20.196 -12.014 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.327 21.575 -9.634 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.835 20.885 -11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.877 21.921 -9.798 1.00 0.00 H new ATOM 527 N ILE A 35 -12.023 18.772 -9.279 1.00 0.00 N ATOM 528 CA ILE A 35 -12.463 17.786 -8.298 1.00 0.00 C ATOM 529 C ILE A 35 -11.284 17.234 -7.506 1.00 0.00 C ATOM 530 O ILE A 35 -11.345 17.120 -6.282 1.00 0.00 O ATOM 531 CB ILE A 35 -13.211 16.627 -8.981 1.00 0.00 C ATOM 532 CG1 ILE A 35 -14.530 17.123 -9.580 1.00 0.00 C ATOM 533 CG2 ILE A 35 -13.463 15.500 -7.992 1.00 0.00 C ATOM 534 CD1 ILE A 35 -15.188 16.133 -10.514 1.00 0.00 C ATOM 0 H ILE A 35 -12.174 18.497 -10.250 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.142 18.292 -7.611 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.589 16.241 -9.789 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.220 17.358 -8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.346 18.051 -10.121 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.993 14.689 -8.492 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.511 15.131 -7.611 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.066 15.871 -7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -16.116 16.556 -10.898 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.517 15.916 -11.345 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -15.405 15.212 -9.973 1.00 0.00 H new ATOM 546 N PHE A 36 -10.212 16.892 -8.212 1.00 0.00 N ATOM 547 CA PHE A 36 -9.086 16.192 -7.606 1.00 0.00 C ATOM 548 C PHE A 36 -8.254 17.131 -6.742 1.00 0.00 C ATOM 549 O PHE A 36 -7.524 16.690 -5.854 1.00 0.00 O ATOM 550 CB PHE A 36 -8.202 15.565 -8.685 1.00 0.00 C ATOM 551 CG PHE A 36 -8.866 14.447 -9.438 1.00 0.00 C ATOM 552 CD1 PHE A 36 -8.276 13.911 -10.574 1.00 0.00 C ATOM 553 CD2 PHE A 36 -10.080 13.930 -9.014 1.00 0.00 C ATOM 554 CE1 PHE A 36 -8.886 12.883 -11.268 1.00 0.00 C ATOM 555 CE2 PHE A 36 -10.691 12.902 -9.705 1.00 0.00 C ATOM 556 CZ PHE A 36 -10.093 12.378 -10.833 1.00 0.00 C ATOM 0 H PHE A 36 -10.099 17.089 -9.206 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.490 15.404 -6.970 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.903 16.339 -9.392 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.291 15.187 -8.221 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.330 14.301 -10.920 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.554 14.336 -8.133 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.417 12.475 -12.151 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -11.637 12.508 -9.363 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.570 11.574 -11.374 1.00 0.00 H new ATOM 566 N SER A 37 -8.367 18.428 -7.008 1.00 0.00 N ATOM 567 CA SER A 37 -7.647 19.434 -6.237 1.00 0.00 C ATOM 568 C SER A 37 -8.138 19.480 -4.796 1.00 0.00 C ATOM 569 O SER A 37 -7.491 20.065 -3.928 1.00 0.00 O ATOM 570 CB SER A 37 -7.809 20.798 -6.880 1.00 0.00 C ATOM 571 OG SER A 37 -9.111 21.284 -6.706 1.00 0.00 O ATOM 0 H SER A 37 -8.951 18.807 -7.753 1.00 0.00 H new ATOM 0 HA SER A 37 -6.592 19.160 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.095 21.497 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.581 20.732 -7.944 1.00 0.00 H new ATOM 0 HG SER A 37 -9.739 20.725 -7.209 1.00 0.00 H new ATOM 577 N GLU A 38 -9.286 18.859 -4.548 1.00 0.00 N ATOM 578 CA GLU A 38 -9.886 18.859 -3.219 1.00 0.00 C ATOM 579 C GLU A 38 -9.000 18.132 -2.215 1.00 0.00 C ATOM 580 O GLU A 38 -9.001 18.452 -1.026 1.00 0.00 O ATOM 581 CB GLU A 38 -11.270 18.208 -3.257 1.00 0.00 C ATOM 582 CG GLU A 38 -12.327 19.020 -3.992 1.00 0.00 C ATOM 583 CD GLU A 38 -13.646 18.307 -4.095 1.00 0.00 C ATOM 584 OE1 GLU A 38 -13.680 17.124 -3.855 1.00 0.00 O ATOM 585 OE2 GLU A 38 -14.621 18.945 -4.415 1.00 0.00 O ATOM 0 H GLU A 38 -9.820 18.348 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.988 19.896 -2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.185 17.230 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.606 18.038 -2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.472 19.969 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.967 19.253 -4.994 1.00 0.00 H new ATOM 592 N VAL A 39 -8.244 17.153 -2.700 1.00 0.00 N ATOM 593 CA VAL A 39 -7.422 16.318 -1.833 1.00 0.00 C ATOM 594 C VAL A 39 -5.946 16.669 -1.970 1.00 0.00 C ATOM 595 O VAL A 39 -5.146 16.391 -1.075 1.00 0.00 O ATOM 596 CB VAL A 39 -7.627 14.830 -2.173 1.00 0.00 C ATOM 597 CG1 VAL A 39 -9.075 14.425 -1.941 1.00 0.00 C ATOM 598 CG2 VAL A 39 -7.217 14.567 -3.614 1.00 0.00 C ATOM 0 H VAL A 39 -8.184 16.918 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.731 16.503 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.999 14.227 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.202 13.371 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.335 14.588 -0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.727 15.026 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.365 13.513 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.826 15.176 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.166 14.824 -3.746 1.00 0.00 H new ATOM 608 N GLY A 40 -5.589 17.280 -3.094 1.00 0.00 N ATOM 609 CA GLY A 40 -4.246 17.814 -3.284 1.00 0.00 C ATOM 610 C GLY A 40 -3.922 17.980 -4.763 1.00 0.00 C ATOM 611 O GLY A 40 -4.703 17.581 -5.627 1.00 0.00 O ATOM 0 H GLY A 40 -6.213 17.418 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.160 18.777 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.518 17.147 -2.822 1.00 0.00 H new ATOM 615 N PRO A 41 -2.767 18.571 -5.048 1.00 0.00 N ATOM 616 CA PRO A 41 -2.365 18.845 -6.423 1.00 0.00 C ATOM 617 C PRO A 41 -2.195 17.555 -7.214 1.00 0.00 C ATOM 618 O PRO A 41 -1.850 16.513 -6.656 1.00 0.00 O ATOM 619 CB PRO A 41 -1.034 19.583 -6.252 1.00 0.00 C ATOM 620 CG PRO A 41 -1.113 20.168 -4.883 1.00 0.00 C ATOM 621 CD PRO A 41 -1.842 19.129 -4.074 1.00 0.00 C ATOM 0 HA PRO A 41 -3.101 19.423 -6.982 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.187 18.903 -6.346 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.908 20.357 -7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.121 20.364 -4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.649 21.117 -4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.164 18.373 -3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.363 19.568 -3.223 1.00 0.00 H new ATOM 629 N VAL A 42 -2.438 17.630 -8.518 1.00 0.00 N ATOM 630 CA VAL A 42 -2.240 16.488 -9.402 1.00 0.00 C ATOM 631 C VAL A 42 -1.055 16.711 -10.334 1.00 0.00 C ATOM 632 O VAL A 42 -0.920 17.775 -10.937 1.00 0.00 O ATOM 633 CB VAL A 42 -3.507 16.234 -10.240 1.00 0.00 C ATOM 634 CG1 VAL A 42 -3.292 15.065 -11.190 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.691 15.973 -9.322 1.00 0.00 C ATOM 0 H VAL A 42 -2.773 18.472 -8.987 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.034 15.619 -8.778 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.719 17.120 -10.838 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.197 14.900 -11.774 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.463 15.289 -11.861 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.062 14.167 -10.616 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.584 15.794 -9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.487 15.098 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.852 16.840 -8.681 1.00 0.00 H new ATOM 645 N VAL A 43 -0.199 15.701 -10.446 1.00 0.00 N ATOM 646 CA VAL A 43 0.971 15.781 -11.312 1.00 0.00 C ATOM 647 C VAL A 43 0.582 15.638 -12.778 1.00 0.00 C ATOM 648 O VAL A 43 0.972 16.451 -13.616 1.00 0.00 O ATOM 649 CB VAL A 43 1.986 14.683 -10.943 1.00 0.00 C ATOM 650 CG1 VAL A 43 3.117 14.640 -11.959 1.00 0.00 C ATOM 651 CG2 VAL A 43 2.527 14.927 -9.543 1.00 0.00 C ATOM 0 H VAL A 43 -0.294 14.816 -9.947 1.00 0.00 H new ATOM 0 HA VAL A 43 1.425 16.761 -11.166 1.00 0.00 H new ATOM 0 HB VAL A 43 1.482 13.716 -10.958 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.825 13.859 -11.683 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.710 14.428 -12.948 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.628 15.603 -11.976 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.244 14.147 -9.289 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.020 15.898 -9.508 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.705 14.911 -8.827 1.00 0.00 H new ATOM 661 N SER A 44 -0.188 14.598 -13.082 1.00 0.00 N ATOM 662 CA SER A 44 -0.513 14.263 -14.463 1.00 0.00 C ATOM 663 C SER A 44 -1.889 13.619 -14.564 1.00 0.00 C ATOM 664 O SER A 44 -2.297 12.860 -13.685 1.00 0.00 O ATOM 665 CB SER A 44 0.536 13.328 -15.033 1.00 0.00 C ATOM 666 OG SER A 44 0.231 12.977 -16.355 1.00 0.00 O ATOM 0 H SER A 44 -0.599 13.972 -12.389 1.00 0.00 H new ATOM 0 HA SER A 44 -0.526 15.188 -15.040 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.514 13.808 -14.997 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.599 12.429 -14.420 1.00 0.00 H new ATOM 0 HG SER A 44 0.922 12.375 -16.702 1.00 0.00 H new ATOM 672 N PHE A 45 -2.602 13.926 -15.642 1.00 0.00 N ATOM 673 CA PHE A 45 -3.900 13.314 -15.903 1.00 0.00 C ATOM 674 C PHE A 45 -3.825 12.342 -17.074 1.00 0.00 C ATOM 675 O PHE A 45 -3.194 12.629 -18.091 1.00 0.00 O ATOM 676 CB PHE A 45 -4.950 14.388 -16.191 1.00 0.00 C ATOM 677 CG PHE A 45 -5.209 15.308 -15.032 1.00 0.00 C ATOM 678 CD1 PHE A 45 -4.380 16.393 -14.789 1.00 0.00 C ATOM 679 CD2 PHE A 45 -6.283 15.090 -14.181 1.00 0.00 C ATOM 680 CE1 PHE A 45 -4.618 17.239 -13.723 1.00 0.00 C ATOM 681 CE2 PHE A 45 -6.524 15.935 -13.115 1.00 0.00 C ATOM 682 CZ PHE A 45 -5.690 17.011 -12.886 1.00 0.00 C ATOM 0 H PHE A 45 -2.303 14.596 -16.350 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.190 12.759 -15.011 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.626 14.980 -17.047 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.884 13.903 -16.474 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.539 16.579 -15.440 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.939 14.249 -14.354 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.964 18.080 -13.545 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.364 15.754 -12.461 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.877 17.673 -12.053 1.00 0.00 H new ATOM 692 N ARG A 46 -4.474 11.193 -16.925 1.00 0.00 N ATOM 693 CA ARG A 46 -4.505 10.188 -17.981 1.00 0.00 C ATOM 694 C ARG A 46 -5.918 9.665 -18.203 1.00 0.00 C ATOM 695 O ARG A 46 -6.206 8.496 -17.947 1.00 0.00 O ATOM 696 CB ARG A 46 -3.585 9.024 -17.639 1.00 0.00 C ATOM 697 CG ARG A 46 -2.105 9.370 -17.598 1.00 0.00 C ATOM 698 CD ARG A 46 -1.258 8.151 -17.536 1.00 0.00 C ATOM 699 NE ARG A 46 -1.304 7.526 -16.224 1.00 0.00 N ATOM 700 CZ ARG A 46 -0.875 6.277 -15.957 1.00 0.00 C ATOM 701 NH1 ARG A 46 -0.373 5.534 -16.919 1.00 0.00 N ATOM 702 NH2 ARG A 46 -0.959 5.798 -14.728 1.00 0.00 N ATOM 0 H ARG A 46 -4.986 10.934 -16.082 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.160 10.666 -18.898 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.877 8.622 -16.669 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.738 8.231 -18.371 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.842 9.951 -18.482 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.902 9.999 -16.731 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.592 7.438 -18.290 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.228 8.412 -17.778 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.688 8.071 -15.452 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.308 5.903 -17.868 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.048 4.589 -16.716 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.349 6.374 -13.982 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.634 4.852 -14.526 1.00 0.00 H new ATOM 716 N LEU A 47 -6.798 10.538 -18.682 1.00 0.00 N ATOM 717 CA LEU A 47 -8.162 10.147 -19.015 1.00 0.00 C ATOM 718 C LEU A 47 -8.209 9.379 -20.330 1.00 0.00 C ATOM 719 O LEU A 47 -7.693 9.841 -21.348 1.00 0.00 O ATOM 720 CB LEU A 47 -9.062 11.386 -19.107 1.00 0.00 C ATOM 721 CG LEU A 47 -10.529 11.118 -19.467 1.00 0.00 C ATOM 722 CD1 LEU A 47 -11.186 10.312 -18.354 1.00 0.00 C ATOM 723 CD2 LEU A 47 -11.249 12.441 -19.682 1.00 0.00 C ATOM 0 H LEU A 47 -6.590 11.523 -18.848 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.526 9.494 -18.222 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.031 11.906 -18.150 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.642 12.063 -19.851 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.587 10.541 -20.390 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -12.228 10.121 -18.609 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -10.663 9.364 -18.234 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.138 10.874 -17.421 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -12.291 12.251 -19.938 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -11.202 13.034 -18.768 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.770 12.988 -20.494 1.00 0.00 H new ATOM 735 N VAL A 48 -8.831 8.205 -20.303 1.00 0.00 N ATOM 736 CA VAL A 48 -8.981 7.390 -21.502 1.00 0.00 C ATOM 737 C VAL A 48 -10.243 7.764 -22.268 1.00 0.00 C ATOM 738 O VAL A 48 -11.343 7.757 -21.714 1.00 0.00 O ATOM 739 CB VAL A 48 -9.035 5.896 -21.129 1.00 0.00 C ATOM 740 CG1 VAL A 48 -9.230 5.043 -22.373 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.763 5.499 -20.396 1.00 0.00 C ATOM 0 H VAL A 48 -9.240 7.797 -19.462 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.117 7.577 -22.140 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.885 5.727 -20.468 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.266 3.991 -22.091 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.164 5.320 -22.861 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.400 5.206 -23.060 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.808 4.442 -20.135 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.901 5.678 -21.039 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.666 6.093 -19.487 1.00 0.00 H new ATOM 751 N TYR A 49 -10.079 8.092 -23.545 1.00 0.00 N ATOM 752 CA TYR A 49 -11.188 8.568 -24.363 1.00 0.00 C ATOM 753 C TYR A 49 -11.052 8.096 -25.804 1.00 0.00 C ATOM 754 O TYR A 49 -9.960 7.746 -26.253 1.00 0.00 O ATOM 755 CB TYR A 49 -11.274 10.095 -24.311 1.00 0.00 C ATOM 756 CG TYR A 49 -10.090 10.795 -24.940 1.00 0.00 C ATOM 757 CD1 TYR A 49 -10.133 11.166 -26.276 1.00 0.00 C ATOM 758 CD2 TYR A 49 -8.961 11.067 -24.181 1.00 0.00 C ATOM 759 CE1 TYR A 49 -9.051 11.805 -26.851 1.00 0.00 C ATOM 760 CE2 TYR A 49 -7.880 11.706 -24.756 1.00 0.00 C ATOM 761 CZ TYR A 49 -7.923 12.074 -26.085 1.00 0.00 C ATOM 762 OH TYR A 49 -6.845 12.711 -26.658 1.00 0.00 O ATOM 0 H TYR A 49 -9.187 8.037 -24.037 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.108 8.149 -23.956 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.185 10.416 -24.817 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.360 10.410 -23.271 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.012 10.955 -26.867 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.927 10.779 -23.141 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.082 12.094 -27.891 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.001 11.918 -24.165 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.139 12.825 -25.988 1.00 0.00 H new ATOM 772 N ASP A 50 -12.167 8.088 -26.527 1.00 0.00 N ATOM 773 CA ASP A 50 -12.164 7.712 -27.936 1.00 0.00 C ATOM 774 C ASP A 50 -11.463 8.763 -28.785 1.00 0.00 C ATOM 775 O ASP A 50 -11.852 9.931 -28.792 1.00 0.00 O ATOM 776 CB ASP A 50 -13.595 7.511 -28.440 1.00 0.00 C ATOM 777 CG ASP A 50 -13.652 6.987 -29.868 1.00 0.00 C ATOM 778 OD1 ASP A 50 -13.338 5.838 -30.071 1.00 0.00 O ATOM 779 OD2 ASP A 50 -14.009 7.739 -30.743 1.00 0.00 O ATOM 0 H ASP A 50 -13.085 8.338 -26.160 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.617 6.774 -28.027 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.112 6.813 -27.781 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.131 8.459 -28.384 1.00 0.00 H new ATOM 784 N ARG A 51 -10.426 8.342 -29.502 1.00 0.00 N ATOM 785 CA ARG A 51 -9.589 9.268 -30.256 1.00 0.00 C ATOM 786 C ARG A 51 -10.337 9.833 -31.457 1.00 0.00 C ATOM 787 O ARG A 51 -10.050 10.940 -31.913 1.00 0.00 O ATOM 788 CB ARG A 51 -8.320 8.576 -30.732 1.00 0.00 C ATOM 789 CG ARG A 51 -7.333 8.223 -29.631 1.00 0.00 C ATOM 790 CD ARG A 51 -6.143 7.514 -30.167 1.00 0.00 C ATOM 791 NE ARG A 51 -5.199 7.167 -29.117 1.00 0.00 N ATOM 792 CZ ARG A 51 -4.087 6.429 -29.301 1.00 0.00 C ATOM 793 NH1 ARG A 51 -3.793 5.969 -30.497 1.00 0.00 N ATOM 794 NH2 ARG A 51 -3.290 6.169 -28.279 1.00 0.00 N ATOM 0 H ARG A 51 -10.145 7.364 -29.577 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.325 10.089 -29.589 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.597 7.663 -31.258 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.821 9.221 -31.455 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.016 9.133 -29.121 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.826 7.596 -28.888 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.462 6.608 -30.682 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.648 8.144 -30.906 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.392 7.506 -28.175 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.407 6.171 -31.286 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.951 5.410 -30.636 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.517 6.527 -27.351 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.448 5.610 -28.418 1.00 0.00 H new ATOM 808 N GLU A 52 -11.296 9.067 -31.965 1.00 0.00 N ATOM 809 CA GLU A 52 -12.023 9.448 -33.170 1.00 0.00 C ATOM 810 C GLU A 52 -13.060 10.523 -32.870 1.00 0.00 C ATOM 811 O GLU A 52 -13.146 11.529 -33.575 1.00 0.00 O ATOM 812 CB GLU A 52 -12.705 8.226 -33.789 1.00 0.00 C ATOM 813 CG GLU A 52 -13.473 8.518 -35.071 1.00 0.00 C ATOM 814 CD GLU A 52 -12.582 8.948 -36.202 1.00 0.00 C ATOM 815 OE1 GLU A 52 -11.412 8.652 -36.157 1.00 0.00 O ATOM 816 OE2 GLU A 52 -13.071 9.573 -37.113 1.00 0.00 O ATOM 0 H GLU A 52 -11.588 8.177 -31.560 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.303 9.854 -33.880 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.949 7.469 -33.997 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.391 7.798 -33.058 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.025 7.626 -35.369 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.209 9.299 -34.878 1.00 0.00 H new ATOM 823 N THR A 53 -13.845 10.305 -31.821 1.00 0.00 N ATOM 824 CA THR A 53 -14.950 11.198 -31.493 1.00 0.00 C ATOM 825 C THR A 53 -14.579 12.136 -30.352 1.00 0.00 C ATOM 826 O THR A 53 -15.094 13.251 -30.261 1.00 0.00 O ATOM 827 CB THR A 53 -16.214 10.401 -31.117 1.00 0.00 C ATOM 828 OG1 THR A 53 -15.949 9.599 -29.959 1.00 0.00 O ATOM 829 CG2 THR A 53 -16.638 9.500 -32.267 1.00 0.00 C ATOM 0 H THR A 53 -13.737 9.517 -31.183 1.00 0.00 H new ATOM 0 HA THR A 53 -15.160 11.793 -32.382 1.00 0.00 H new ATOM 0 HB THR A 53 -17.019 11.104 -30.904 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.296 8.904 -30.185 1.00 0.00 H new ATOM 0 HG21 THR A 53 -17.532 8.945 -31.984 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.852 10.108 -33.146 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.834 8.801 -32.497 1.00 0.00 H new ATOM 837 N GLY A 54 -13.684 11.679 -29.484 1.00 0.00 N ATOM 838 CA GLY A 54 -13.254 12.471 -28.337 1.00 0.00 C ATOM 839 C GLY A 54 -14.065 12.126 -27.095 1.00 0.00 C ATOM 840 O GLY A 54 -13.841 12.685 -26.021 1.00 0.00 O ATOM 0 H GLY A 54 -13.241 10.763 -29.553 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.196 12.293 -28.145 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.363 13.532 -28.563 1.00 0.00 H new ATOM 844 N LYS A 55 -15.008 11.202 -27.247 1.00 0.00 N ATOM 845 CA LYS A 55 -15.887 10.816 -26.150 1.00 0.00 C ATOM 846 C LYS A 55 -15.147 9.965 -25.126 1.00 0.00 C ATOM 847 O LYS A 55 -14.597 8.915 -25.458 1.00 0.00 O ATOM 848 CB LYS A 55 -17.105 10.059 -26.681 1.00 0.00 C ATOM 849 CG LYS A 55 -18.135 9.700 -25.618 1.00 0.00 C ATOM 850 CD LYS A 55 -19.335 8.991 -26.228 1.00 0.00 C ATOM 851 CE LYS A 55 -20.362 8.626 -25.166 1.00 0.00 C ATOM 852 NZ LYS A 55 -21.528 7.904 -25.744 1.00 0.00 N ATOM 0 H LYS A 55 -15.183 10.706 -28.121 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.225 11.727 -25.656 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.588 10.665 -27.448 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.766 9.143 -27.165 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.676 9.060 -24.865 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.465 10.605 -25.108 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.797 9.633 -26.978 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.004 8.089 -26.742 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.891 8.004 -24.405 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.707 9.532 -24.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.204 7.674 -24.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.993 8.507 -26.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.203 7.026 -26.197 1.00 0.00 H new ATOM 866 N PRO A 56 -15.138 10.423 -23.879 1.00 0.00 N ATOM 867 CA PRO A 56 -14.500 9.686 -22.795 1.00 0.00 C ATOM 868 C PRO A 56 -15.029 8.260 -22.714 1.00 0.00 C ATOM 869 O PRO A 56 -16.221 8.017 -22.906 1.00 0.00 O ATOM 870 CB PRO A 56 -14.878 10.500 -21.554 1.00 0.00 C ATOM 871 CG PRO A 56 -15.053 11.889 -22.067 1.00 0.00 C ATOM 872 CD PRO A 56 -15.703 11.711 -23.414 1.00 0.00 C ATOM 0 HA PRO A 56 -13.422 9.581 -22.920 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.794 10.126 -21.096 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.099 10.452 -20.793 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.677 12.483 -21.400 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.097 12.405 -22.152 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.790 11.673 -23.338 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.460 12.529 -24.092 1.00 0.00 H new ATOM 880 N LYS A 57 -14.136 7.318 -22.427 1.00 0.00 N ATOM 881 CA LYS A 57 -14.520 5.920 -22.272 1.00 0.00 C ATOM 882 C LYS A 57 -15.160 5.672 -20.913 1.00 0.00 C ATOM 883 O LYS A 57 -15.898 4.703 -20.731 1.00 0.00 O ATOM 884 CB LYS A 57 -13.306 5.008 -22.457 1.00 0.00 C ATOM 885 CG LYS A 57 -12.723 5.014 -23.864 1.00 0.00 C ATOM 886 CD LYS A 57 -13.720 4.475 -24.878 1.00 0.00 C ATOM 887 CE LYS A 57 -13.098 4.363 -26.262 1.00 0.00 C ATOM 888 NZ LYS A 57 -14.076 3.882 -27.275 1.00 0.00 N ATOM 0 H LYS A 57 -13.140 7.498 -22.297 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.256 5.689 -23.042 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.530 5.310 -21.754 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.591 3.988 -22.199 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.437 6.030 -24.137 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.816 4.410 -23.887 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.075 3.496 -24.557 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.589 5.131 -24.920 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.711 5.336 -26.565 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.250 3.680 -26.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.612 3.820 -28.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.427 2.942 -27.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.874 4.547 -27.331 1.00 0.00 H new ATOM 902 N GLY A 58 -14.873 6.552 -19.960 1.00 0.00 N ATOM 903 CA GLY A 58 -15.533 6.516 -18.660 1.00 0.00 C ATOM 904 C GLY A 58 -14.567 6.086 -17.564 1.00 0.00 C ATOM 905 O GLY A 58 -14.980 5.764 -16.450 1.00 0.00 O ATOM 0 H GLY A 58 -14.187 7.300 -20.063 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.937 7.501 -18.427 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.376 5.826 -18.696 1.00 0.00 H new ATOM 909 N TYR A 59 -13.277 6.084 -17.886 1.00 0.00 N ATOM 910 CA TYR A 59 -12.247 5.723 -16.919 1.00 0.00 C ATOM 911 C TYR A 59 -10.900 6.325 -17.299 1.00 0.00 C ATOM 912 O TYR A 59 -10.691 6.728 -18.443 1.00 0.00 O ATOM 913 CB TYR A 59 -12.134 4.202 -16.800 1.00 0.00 C ATOM 914 CG TYR A 59 -11.815 3.509 -18.107 1.00 0.00 C ATOM 915 CD1 TYR A 59 -10.495 3.284 -18.469 1.00 0.00 C ATOM 916 CD2 TYR A 59 -12.842 3.100 -18.943 1.00 0.00 C ATOM 917 CE1 TYR A 59 -10.203 2.652 -19.662 1.00 0.00 C ATOM 918 CE2 TYR A 59 -12.551 2.468 -20.137 1.00 0.00 C ATOM 919 CZ TYR A 59 -11.238 2.244 -20.497 1.00 0.00 C ATOM 920 OH TYR A 59 -10.948 1.614 -21.685 1.00 0.00 O ATOM 0 H TYR A 59 -12.920 6.329 -18.810 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.539 6.131 -15.951 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.359 3.960 -16.073 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.072 3.807 -16.409 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.695 3.603 -17.818 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.870 3.275 -18.661 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.176 2.475 -19.945 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -13.351 2.149 -20.788 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.782 1.393 -22.150 1.00 0.00 H new ATOM 930 N GLY A 60 -9.990 6.383 -16.333 1.00 0.00 N ATOM 931 CA GLY A 60 -8.643 6.884 -16.579 1.00 0.00 C ATOM 932 C GLY A 60 -7.777 6.771 -15.331 1.00 0.00 C ATOM 933 O GLY A 60 -8.124 6.064 -14.384 1.00 0.00 O ATOM 0 H GLY A 60 -10.161 6.089 -15.371 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.186 6.322 -17.394 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.692 7.925 -16.898 1.00 0.00 H new ATOM 937 N PHE A 61 -6.648 7.472 -15.334 1.00 0.00 N ATOM 938 CA PHE A 61 -5.742 7.471 -14.192 1.00 0.00 C ATOM 939 C PHE A 61 -5.429 8.890 -13.736 1.00 0.00 C ATOM 940 O PHE A 61 -5.591 9.846 -14.495 1.00 0.00 O ATOM 941 CB PHE A 61 -4.443 6.743 -14.542 1.00 0.00 C ATOM 942 CG PHE A 61 -4.646 5.329 -15.006 1.00 0.00 C ATOM 943 CD1 PHE A 61 -4.826 5.044 -16.351 1.00 0.00 C ATOM 944 CD2 PHE A 61 -4.658 4.280 -14.098 1.00 0.00 C ATOM 945 CE1 PHE A 61 -5.013 3.743 -16.779 1.00 0.00 C ATOM 946 CE2 PHE A 61 -4.843 2.979 -14.523 1.00 0.00 C ATOM 947 CZ PHE A 61 -5.022 2.711 -15.865 1.00 0.00 C ATOM 0 H PHE A 61 -6.339 8.049 -16.116 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.239 6.948 -13.375 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.924 7.300 -15.322 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.793 6.739 -13.667 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.820 5.848 -17.072 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.521 4.483 -13.046 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.152 3.535 -17.830 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.848 2.172 -13.806 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.169 1.694 -16.199 1.00 0.00 H new ATOM 957 N CYS A 62 -4.978 9.021 -12.493 1.00 0.00 N ATOM 958 CA CYS A 62 -4.596 10.319 -11.950 1.00 0.00 C ATOM 959 C CYS A 62 -3.374 10.200 -11.048 1.00 0.00 C ATOM 960 O CYS A 62 -3.415 9.532 -10.015 1.00 0.00 O ATOM 961 CB CYS A 62 -5.751 10.930 -11.156 1.00 0.00 C ATOM 962 SG CYS A 62 -5.373 12.541 -10.425 1.00 0.00 S ATOM 0 H CYS A 62 -4.868 8.243 -11.842 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.351 10.967 -12.792 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.614 11.035 -11.813 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -6.037 10.240 -10.362 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.478 13.124 -10.064 1.00 0.00 H new ATOM 968 N GLU A 63 -2.287 10.853 -11.445 1.00 0.00 N ATOM 969 CA GLU A 63 -1.054 10.831 -10.668 1.00 0.00 C ATOM 970 C GLU A 63 -0.971 12.030 -9.732 1.00 0.00 C ATOM 971 O GLU A 63 -0.903 13.175 -10.180 1.00 0.00 O ATOM 972 CB GLU A 63 0.162 10.812 -11.596 1.00 0.00 C ATOM 973 CG GLU A 63 1.502 10.753 -10.877 1.00 0.00 C ATOM 974 CD GLU A 63 2.672 10.703 -11.821 1.00 0.00 C ATOM 975 OE1 GLU A 63 2.452 10.695 -13.008 1.00 0.00 O ATOM 976 OE2 GLU A 63 3.786 10.673 -11.353 1.00 0.00 O ATOM 0 H GLU A 63 -2.235 11.405 -12.301 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.058 9.923 -10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.082 9.952 -12.261 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.139 11.703 -12.223 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.600 11.625 -10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.524 9.874 -10.232 1.00 0.00 H new ATOM 983 N TYR A 64 -0.977 11.761 -8.431 1.00 0.00 N ATOM 984 CA TYR A 64 -0.933 12.820 -7.429 1.00 0.00 C ATOM 985 C TYR A 64 0.499 13.119 -7.007 1.00 0.00 C ATOM 986 O TYR A 64 1.392 12.288 -7.173 1.00 0.00 O ATOM 987 CB TYR A 64 -1.777 12.439 -6.211 1.00 0.00 C ATOM 988 CG TYR A 64 -3.268 12.484 -6.463 1.00 0.00 C ATOM 989 CD1 TYR A 64 -3.952 11.322 -6.788 1.00 0.00 C ATOM 990 CD2 TYR A 64 -3.951 13.688 -6.369 1.00 0.00 C ATOM 991 CE1 TYR A 64 -5.314 11.364 -7.018 1.00 0.00 C ATOM 992 CE2 TYR A 64 -5.312 13.729 -6.599 1.00 0.00 C ATOM 993 CZ TYR A 64 -5.993 12.573 -6.923 1.00 0.00 C ATOM 994 OH TYR A 64 -7.349 12.614 -7.152 1.00 0.00 O ATOM 0 H TYR A 64 -1.012 10.817 -8.045 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.349 13.723 -7.877 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.502 11.434 -5.890 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.536 13.113 -5.389 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.420 10.385 -6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.418 14.593 -6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.849 10.460 -7.271 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.844 14.666 -6.525 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.526 13.108 -7.980 1.00 0.00 H new ATOM 1004 N GLN A 65 0.713 14.310 -6.459 1.00 0.00 N ATOM 1005 CA GLN A 65 2.043 14.734 -6.039 1.00 0.00 C ATOM 1006 C GLN A 65 2.552 13.885 -4.881 1.00 0.00 C ATOM 1007 O GLN A 65 3.710 13.469 -4.866 1.00 0.00 O ATOM 1008 CB GLN A 65 2.034 16.212 -5.640 1.00 0.00 C ATOM 1009 CG GLN A 65 3.399 16.762 -5.260 1.00 0.00 C ATOM 1010 CD GLN A 65 4.365 16.770 -6.429 1.00 0.00 C ATOM 1011 OE1 GLN A 65 4.080 17.340 -7.486 1.00 0.00 O ATOM 1012 NE2 GLN A 65 5.518 16.136 -6.247 1.00 0.00 N ATOM 0 H GLN A 65 -0.020 15.000 -6.295 1.00 0.00 H new ATOM 0 HA GLN A 65 2.717 14.599 -6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.636 16.798 -6.468 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.354 16.346 -4.799 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.286 17.777 -4.879 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.817 16.163 -4.451 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.713 15.678 -5.357 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.208 16.107 -6.997 1.00 0.00 H new ATOM 1021 N ASP A 66 1.679 13.633 -3.912 1.00 0.00 N ATOM 1022 CA ASP A 66 2.053 12.879 -2.721 1.00 0.00 C ATOM 1023 C ASP A 66 1.299 11.557 -2.646 1.00 0.00 C ATOM 1024 O ASP A 66 0.184 11.438 -3.155 1.00 0.00 O ATOM 1025 CB ASP A 66 1.781 13.700 -1.458 1.00 0.00 C ATOM 1026 CG ASP A 66 2.653 14.945 -1.361 1.00 0.00 C ATOM 1027 OD1 ASP A 66 3.713 14.950 -1.942 1.00 0.00 O ATOM 1028 OD2 ASP A 66 2.252 15.877 -0.708 1.00 0.00 O ATOM 0 H ASP A 66 0.706 13.940 -3.928 1.00 0.00 H new ATOM 0 HA ASP A 66 3.120 12.666 -2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.732 13.995 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.950 13.075 -0.581 1.00 0.00 H new ATOM 1033 N GLN A 67 1.915 10.566 -2.010 1.00 0.00 N ATOM 1034 CA GLN A 67 1.266 9.279 -1.788 1.00 0.00 C ATOM 1035 C GLN A 67 0.084 9.415 -0.837 1.00 0.00 C ATOM 1036 O GLN A 67 -0.949 8.770 -1.019 1.00 0.00 O ATOM 1037 CB GLN A 67 2.268 8.263 -1.233 1.00 0.00 C ATOM 1038 CG GLN A 67 3.335 7.835 -2.226 1.00 0.00 C ATOM 1039 CD GLN A 67 4.386 6.941 -1.597 1.00 0.00 C ATOM 1040 OE1 GLN A 67 4.293 6.584 -0.419 1.00 0.00 O ATOM 1041 NE2 GLN A 67 5.395 6.573 -2.379 1.00 0.00 N ATOM 0 H GLN A 67 2.863 10.630 -1.639 1.00 0.00 H new ATOM 0 HA GLN A 67 0.894 8.924 -2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.754 8.691 -0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.725 7.380 -0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.864 7.309 -3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.817 8.720 -2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.432 6.891 -3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.132 5.972 -2.011 1.00 0.00 H new ATOM 1050 N GLU A 68 0.240 10.259 0.177 1.00 0.00 N ATOM 1051 CA GLU A 68 -0.827 10.507 1.139 1.00 0.00 C ATOM 1052 C GLU A 68 -1.996 11.236 0.488 1.00 0.00 C ATOM 1053 O GLU A 68 -3.147 11.068 0.892 1.00 0.00 O ATOM 1054 CB GLU A 68 -0.301 11.323 2.322 1.00 0.00 C ATOM 1055 CG GLU A 68 0.684 10.577 3.211 1.00 0.00 C ATOM 1056 CD GLU A 68 1.222 11.426 4.329 1.00 0.00 C ATOM 1057 OE1 GLU A 68 0.973 12.607 4.325 1.00 0.00 O ATOM 1058 OE2 GLU A 68 1.883 10.892 5.188 1.00 0.00 O ATOM 0 H GLU A 68 1.097 10.784 0.354 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.181 9.541 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.182 12.223 1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.146 11.647 2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.193 9.699 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.514 10.217 2.603 1.00 0.00 H new ATOM 1065 N THR A 69 -1.695 12.044 -0.522 1.00 0.00 N ATOM 1066 CA THR A 69 -2.729 12.692 -1.320 1.00 0.00 C ATOM 1067 C THR A 69 -3.505 11.675 -2.146 1.00 0.00 C ATOM 1068 O THR A 69 -4.732 11.730 -2.223 1.00 0.00 O ATOM 1069 CB THR A 69 -2.123 13.760 -2.250 1.00 0.00 C ATOM 1070 OG1 THR A 69 -1.515 14.793 -1.463 1.00 0.00 O ATOM 1071 CG2 THR A 69 -3.201 14.370 -3.134 1.00 0.00 C ATOM 0 H THR A 69 -0.742 12.266 -0.808 1.00 0.00 H new ATOM 0 HA THR A 69 -3.416 13.177 -0.626 1.00 0.00 H new ATOM 0 HB THR A 69 -1.373 13.286 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.128 15.471 -2.056 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.755 15.122 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.658 13.589 -3.742 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.963 14.836 -2.509 1.00 0.00 H new ATOM 1079 N ALA A 70 -2.782 10.747 -2.764 1.00 0.00 N ATOM 1080 CA ALA A 70 -3.406 9.649 -3.493 1.00 0.00 C ATOM 1081 C ALA A 70 -4.262 8.791 -2.571 1.00 0.00 C ATOM 1082 O ALA A 70 -5.350 8.354 -2.946 1.00 0.00 O ATOM 1083 CB ALA A 70 -2.347 8.797 -4.176 1.00 0.00 C ATOM 0 H ALA A 70 -1.762 10.734 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.058 10.079 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.829 7.982 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.781 9.412 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.671 8.386 -3.426 1.00 0.00 H new ATOM 1089 N LEU A 71 -3.765 8.553 -1.362 1.00 0.00 N ATOM 1090 CA LEU A 71 -4.537 7.858 -0.339 1.00 0.00 C ATOM 1091 C LEU A 71 -5.806 8.625 0.008 1.00 0.00 C ATOM 1092 O LEU A 71 -6.896 8.054 0.054 1.00 0.00 O ATOM 1093 CB LEU A 71 -3.689 7.663 0.924 1.00 0.00 C ATOM 1094 CG LEU A 71 -4.403 7.001 2.109 1.00 0.00 C ATOM 1095 CD1 LEU A 71 -4.862 5.605 1.712 1.00 0.00 C ATOM 1096 CD2 LEU A 71 -3.462 6.948 3.304 1.00 0.00 C ATOM 0 H LEU A 71 -2.829 8.832 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.821 6.884 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.818 7.060 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.319 8.637 1.245 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.280 7.585 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.369 5.135 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.548 5.674 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.998 5.005 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.969 6.478 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.576 6.368 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.165 7.960 3.579 1.00 0.00 H new ATOM 1108 N SER A 72 -5.659 9.923 0.253 1.00 0.00 N ATOM 1109 CA SER A 72 -6.800 10.782 0.547 1.00 0.00 C ATOM 1110 C SER A 72 -7.833 10.728 -0.572 1.00 0.00 C ATOM 1111 O SER A 72 -9.037 10.713 -0.318 1.00 0.00 O ATOM 1112 CB SER A 72 -6.339 12.211 0.753 1.00 0.00 C ATOM 1113 OG SER A 72 -5.523 12.317 1.887 1.00 0.00 O ATOM 0 H SER A 72 -4.759 10.404 0.254 1.00 0.00 H new ATOM 0 HA SER A 72 -7.267 10.418 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.792 12.551 -0.126 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.205 12.864 0.861 1.00 0.00 H new ATOM 0 HG SER A 72 -4.647 11.919 1.698 1.00 0.00 H new ATOM 1119 N ALA A 73 -7.354 10.698 -1.811 1.00 0.00 N ATOM 1120 CA ALA A 73 -8.231 10.580 -2.969 1.00 0.00 C ATOM 1121 C ALA A 73 -9.050 9.296 -2.912 1.00 0.00 C ATOM 1122 O ALA A 73 -10.256 9.307 -3.156 1.00 0.00 O ATOM 1123 CB ALA A 73 -7.421 10.634 -4.256 1.00 0.00 C ATOM 0 H ALA A 73 -6.361 10.754 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.923 11.422 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.091 10.545 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.887 11.583 -4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.704 9.813 -4.269 1.00 0.00 H new ATOM 1129 N MET A 74 -8.386 8.192 -2.588 1.00 0.00 N ATOM 1130 CA MET A 74 -9.047 6.895 -2.515 1.00 0.00 C ATOM 1131 C MET A 74 -10.070 6.861 -1.386 1.00 0.00 C ATOM 1132 O MET A 74 -11.084 6.169 -1.475 1.00 0.00 O ATOM 1133 CB MET A 74 -8.014 5.785 -2.331 1.00 0.00 C ATOM 1134 CG MET A 74 -7.155 5.515 -3.558 1.00 0.00 C ATOM 1135 SD MET A 74 -6.131 4.040 -3.379 1.00 0.00 S ATOM 1136 CE MET A 74 -4.845 4.651 -2.293 1.00 0.00 C ATOM 0 H MET A 74 -7.389 8.170 -2.372 1.00 0.00 H new ATOM 0 HA MET A 74 -9.577 6.732 -3.453 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.363 6.046 -1.497 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.531 4.866 -2.056 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.799 5.402 -4.430 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.514 6.377 -3.745 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.990 3.976 -2.327 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.536 5.645 -2.618 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.225 4.704 -1.273 1.00 0.00 H new ATOM 1146 N ARG A 75 -9.798 7.613 -0.325 1.00 0.00 N ATOM 1147 CA ARG A 75 -10.682 7.651 0.833 1.00 0.00 C ATOM 1148 C ARG A 75 -11.827 8.634 0.620 1.00 0.00 C ATOM 1149 O ARG A 75 -12.961 8.377 1.024 1.00 0.00 O ATOM 1150 CB ARG A 75 -9.909 8.042 2.084 1.00 0.00 C ATOM 1151 CG ARG A 75 -8.942 6.985 2.595 1.00 0.00 C ATOM 1152 CD ARG A 75 -8.225 7.439 3.813 1.00 0.00 C ATOM 1153 NE ARG A 75 -7.375 6.395 4.363 1.00 0.00 N ATOM 1154 CZ ARG A 75 -6.624 6.526 5.474 1.00 0.00 C ATOM 1155 NH1 ARG A 75 -6.628 7.659 6.140 1.00 0.00 N ATOM 1156 NH2 ARG A 75 -5.883 5.515 5.894 1.00 0.00 N ATOM 0 H ARG A 75 -8.971 8.205 -0.243 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.097 6.651 0.961 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.351 8.955 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.621 8.275 2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.488 6.068 2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.219 6.746 1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.618 8.312 3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.949 7.751 4.565 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.345 5.501 3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.200 8.439 5.816 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.060 7.758 6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.880 4.636 5.377 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.314 5.614 6.735 1.00 0.00 H new ATOM 1170 N ASN A 76 -11.522 9.760 -0.015 1.00 0.00 N ATOM 1171 CA ASN A 76 -12.463 10.871 -0.099 1.00 0.00 C ATOM 1172 C ASN A 76 -13.211 10.861 -1.426 1.00 0.00 C ATOM 1173 O ASN A 76 -14.438 10.955 -1.459 1.00 0.00 O ATOM 1174 CB ASN A 76 -11.746 12.194 0.101 1.00 0.00 C ATOM 1175 CG ASN A 76 -11.263 12.382 1.512 1.00 0.00 C ATOM 1176 OD1 ASN A 76 -11.784 11.763 2.447 1.00 0.00 O ATOM 1177 ND2 ASN A 76 -10.277 13.225 1.684 1.00 0.00 N ATOM 0 H ASN A 76 -10.630 9.928 -0.480 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.196 10.750 0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.897 12.249 -0.580 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.419 13.011 -0.161 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.907 13.394 2.620 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.878 13.714 0.882 1.00 0.00 H new ATOM 1184 N LEU A 77 -12.464 10.747 -2.519 1.00 0.00 N ATOM 1185 CA LEU A 77 -13.020 10.952 -3.851 1.00 0.00 C ATOM 1186 C LEU A 77 -13.651 9.673 -4.387 1.00 0.00 C ATOM 1187 O LEU A 77 -14.279 9.675 -5.446 1.00 0.00 O ATOM 1188 CB LEU A 77 -11.927 11.433 -4.814 1.00 0.00 C ATOM 1189 CG LEU A 77 -11.294 12.789 -4.477 1.00 0.00 C ATOM 1190 CD1 LEU A 77 -10.156 13.073 -5.448 1.00 0.00 C ATOM 1191 CD2 LEU A 77 -12.356 13.876 -4.547 1.00 0.00 C ATOM 0 H LEU A 77 -11.471 10.514 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.796 11.713 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.138 10.682 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.351 11.490 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.887 12.770 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.706 14.036 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.403 12.290 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.544 13.096 -6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.907 14.840 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.775 13.911 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.148 13.657 -3.831 1.00 0.00 H new ATOM 1203 N ASN A 78 -13.479 8.581 -3.650 1.00 0.00 N ATOM 1204 CA ASN A 78 -14.159 7.330 -3.964 1.00 0.00 C ATOM 1205 C ASN A 78 -15.645 7.415 -3.640 1.00 0.00 C ATOM 1206 O ASN A 78 -16.034 7.473 -2.474 1.00 0.00 O ATOM 1207 CB ASN A 78 -13.517 6.172 -3.223 1.00 0.00 C ATOM 1208 CG ASN A 78 -14.155 4.851 -3.551 1.00 0.00 C ATOM 1209 OD1 ASN A 78 -15.337 4.629 -3.263 1.00 0.00 O ATOM 1210 ND2 ASN A 78 -13.395 3.968 -4.148 1.00 0.00 N ATOM 0 H ASN A 78 -12.874 8.537 -2.830 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.058 7.154 -5.035 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.456 6.130 -3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.587 6.349 -2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.773 3.053 -4.395 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.425 4.195 -4.367 1.00 0.00 H new ATOM 1217 N GLY A 79 -16.473 7.422 -4.680 1.00 0.00 N ATOM 1218 CA GLY A 79 -17.902 7.660 -4.520 1.00 0.00 C ATOM 1219 C GLY A 79 -18.216 9.150 -4.516 1.00 0.00 C ATOM 1220 O GLY A 79 -19.236 9.579 -3.976 1.00 0.00 O ATOM 0 H GLY A 79 -16.178 7.265 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.447 7.173 -5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.246 7.211 -3.588 1.00 0.00 H new ATOM 1224 N ARG A 80 -17.334 9.937 -5.123 1.00 0.00 N ATOM 1225 CA ARG A 80 -17.494 11.386 -5.155 1.00 0.00 C ATOM 1226 C ARG A 80 -18.716 11.787 -5.970 1.00 0.00 C ATOM 1227 O ARG A 80 -18.722 11.673 -7.196 1.00 0.00 O ATOM 1228 CB ARG A 80 -16.256 12.048 -5.743 1.00 0.00 C ATOM 1229 CG ARG A 80 -16.329 13.564 -5.844 1.00 0.00 C ATOM 1230 CD ARG A 80 -16.416 14.200 -4.505 1.00 0.00 C ATOM 1231 NE ARG A 80 -16.288 15.646 -4.582 1.00 0.00 N ATOM 1232 CZ ARG A 80 -17.303 16.490 -4.855 1.00 0.00 C ATOM 1233 NH1 ARG A 80 -18.510 16.017 -5.074 1.00 0.00 N ATOM 1234 NH2 ARG A 80 -17.084 17.792 -4.903 1.00 0.00 N ATOM 0 H ARG A 80 -16.500 9.595 -5.600 1.00 0.00 H new ATOM 0 HA ARG A 80 -17.632 11.723 -4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.394 11.780 -5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.081 11.640 -6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.448 13.937 -6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -17.197 13.848 -6.439 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -17.369 13.944 -4.043 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.632 13.800 -3.862 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.366 16.050 -4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.678 15.012 -5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.278 16.655 -5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.147 18.158 -4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.852 18.431 -5.110 1.00 0.00 H new ATOM 1248 N GLU A 81 -19.751 12.257 -5.282 1.00 0.00 N ATOM 1249 CA GLU A 81 -20.990 12.658 -5.939 1.00 0.00 C ATOM 1250 C GLU A 81 -20.726 13.685 -7.033 1.00 0.00 C ATOM 1251 O GLU A 81 -19.972 14.637 -6.834 1.00 0.00 O ATOM 1252 CB GLU A 81 -21.975 13.229 -4.917 1.00 0.00 C ATOM 1253 CG GLU A 81 -23.332 13.608 -5.495 1.00 0.00 C ATOM 1254 CD GLU A 81 -24.290 14.115 -4.454 1.00 0.00 C ATOM 1255 OE1 GLU A 81 -23.918 14.167 -3.306 1.00 0.00 O ATOM 1256 OE2 GLU A 81 -25.396 14.452 -4.807 1.00 0.00 O ATOM 0 H GLU A 81 -19.756 12.370 -4.268 1.00 0.00 H new ATOM 0 HA GLU A 81 -21.425 11.771 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -22.123 12.496 -4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -21.531 14.111 -4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -23.195 14.373 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -23.767 12.739 -5.989 1.00 0.00 H new ATOM 1263 N PHE A 82 -21.351 13.485 -8.188 1.00 0.00 N ATOM 1264 CA PHE A 82 -21.147 14.366 -9.332 1.00 0.00 C ATOM 1265 C PHE A 82 -22.371 14.384 -10.238 1.00 0.00 C ATOM 1266 O PHE A 82 -23.066 13.378 -10.378 1.00 0.00 O ATOM 1267 CB PHE A 82 -19.920 13.928 -10.132 1.00 0.00 C ATOM 1268 CG PHE A 82 -19.530 14.889 -11.219 1.00 0.00 C ATOM 1269 CD1 PHE A 82 -19.109 16.174 -10.910 1.00 0.00 C ATOM 1270 CD2 PHE A 82 -19.585 14.511 -12.552 1.00 0.00 C ATOM 1271 CE1 PHE A 82 -18.751 17.059 -11.910 1.00 0.00 C ATOM 1272 CE2 PHE A 82 -19.226 15.393 -13.553 1.00 0.00 C ATOM 1273 CZ PHE A 82 -18.809 16.669 -13.230 1.00 0.00 C ATOM 0 H PHE A 82 -22.004 12.720 -8.357 1.00 0.00 H new ATOM 0 HA PHE A 82 -20.985 15.374 -8.949 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -19.079 13.804 -9.450 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -20.117 12.952 -10.576 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -19.060 16.486 -9.877 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -19.912 13.515 -12.811 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.426 18.057 -11.656 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -19.271 15.085 -14.587 1.00 0.00 H new ATOM 0 HZ PHE A 82 -18.529 17.360 -14.011 1.00 0.00 H new ATOM 1283 N SER A 83 -22.630 15.533 -10.852 1.00 0.00 N ATOM 1284 CA SER A 83 -23.872 15.748 -11.586 1.00 0.00 C ATOM 1285 C SER A 83 -24.033 14.727 -12.705 1.00 0.00 C ATOM 1286 O SER A 83 -25.151 14.367 -13.074 1.00 0.00 O ATOM 1287 CB SER A 83 -23.903 17.150 -12.160 1.00 0.00 C ATOM 1288 OG SER A 83 -22.921 17.312 -13.146 1.00 0.00 O ATOM 0 H SER A 83 -21.995 16.331 -10.856 1.00 0.00 H new ATOM 0 HA SER A 83 -24.701 15.625 -10.889 1.00 0.00 H new ATOM 0 HB2 SER A 83 -24.886 17.351 -12.585 1.00 0.00 H new ATOM 0 HB3 SER A 83 -23.746 17.877 -11.363 1.00 0.00 H new ATOM 0 HG SER A 83 -22.962 18.224 -13.502 1.00 0.00 H new ATOM 1294 N GLY A 84 -22.910 14.263 -13.243 1.00 0.00 N ATOM 1295 CA GLY A 84 -22.921 13.205 -14.245 1.00 0.00 C ATOM 1296 C GLY A 84 -22.937 11.828 -13.592 1.00 0.00 C ATOM 1297 O GLY A 84 -23.988 11.196 -13.482 1.00 0.00 O ATOM 0 H GLY A 84 -21.980 14.604 -13.001 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -23.795 13.317 -14.886 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -22.043 13.297 -14.885 1.00 0.00 H new ATOM 1301 N ARG A 85 -21.768 11.370 -13.160 1.00 0.00 N ATOM 1302 CA ARG A 85 -21.656 10.096 -12.459 1.00 0.00 C ATOM 1303 C ARG A 85 -20.669 10.189 -11.302 1.00 0.00 C ATOM 1304 O ARG A 85 -19.610 10.805 -11.425 1.00 0.00 O ATOM 1305 CB ARG A 85 -21.213 8.997 -13.413 1.00 0.00 C ATOM 1306 CG ARG A 85 -22.208 8.668 -14.515 1.00 0.00 C ATOM 1307 CD ARG A 85 -23.417 7.991 -13.979 1.00 0.00 C ATOM 1308 NE ARG A 85 -24.316 7.568 -15.041 1.00 0.00 N ATOM 1309 CZ ARG A 85 -25.265 8.348 -15.595 1.00 0.00 C ATOM 1310 NH1 ARG A 85 -25.425 9.585 -15.180 1.00 0.00 N ATOM 1311 NH2 ARG A 85 -26.035 7.869 -16.557 1.00 0.00 N ATOM 0 H ARG A 85 -20.883 11.862 -13.283 1.00 0.00 H new ATOM 0 HA ARG A 85 -22.641 9.854 -12.061 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -20.269 9.292 -13.872 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -21.018 8.092 -12.837 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -22.501 9.585 -15.027 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -21.731 8.028 -15.257 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -23.117 7.124 -13.390 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -23.943 8.667 -13.305 1.00 0.00 H new ATOM 0 HE ARG A 85 -24.222 6.615 -15.391 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -24.831 9.955 -14.438 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -26.143 10.175 -15.600 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -25.911 6.909 -16.880 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -26.753 8.459 -16.977 1.00 0.00 H new ATOM 1325 N ALA A 86 -21.022 9.573 -10.179 1.00 0.00 N ATOM 1326 CA ALA A 86 -20.151 9.554 -9.010 1.00 0.00 C ATOM 1327 C ALA A 86 -18.843 8.832 -9.309 1.00 0.00 C ATOM 1328 O ALA A 86 -18.844 7.714 -9.823 1.00 0.00 O ATOM 1329 CB ALA A 86 -20.859 8.899 -7.833 1.00 0.00 C ATOM 0 H ALA A 86 -21.906 9.080 -10.054 1.00 0.00 H new ATOM 0 HA ALA A 86 -19.915 10.586 -8.750 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -20.196 8.892 -6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -21.762 9.460 -7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -21.126 7.875 -8.093 1.00 0.00 H new ATOM 1335 N LEU A 87 -17.729 9.479 -8.985 1.00 0.00 N ATOM 1336 CA LEU A 87 -16.414 8.985 -9.378 1.00 0.00 C ATOM 1337 C LEU A 87 -15.937 7.882 -8.443 1.00 0.00 C ATOM 1338 O LEU A 87 -16.132 7.956 -7.230 1.00 0.00 O ATOM 1339 CB LEU A 87 -15.398 10.134 -9.385 1.00 0.00 C ATOM 1340 CG LEU A 87 -15.698 11.282 -10.357 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -14.649 12.374 -10.193 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -15.716 10.751 -11.782 1.00 0.00 C ATOM 0 H LEU A 87 -17.710 10.348 -8.451 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.499 8.570 -10.382 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.334 10.544 -8.377 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.417 9.725 -9.626 1.00 0.00 H new ATOM 0 HG LEU A 87 -16.677 11.709 -10.138 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -14.862 13.190 -10.884 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.671 12.749 -9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.662 11.965 -10.408 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -15.929 11.568 -12.472 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.745 10.318 -12.021 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.487 9.986 -11.876 1.00 0.00 H new ATOM 1354 N ARG A 88 -15.311 6.859 -9.014 1.00 0.00 N ATOM 1355 CA ARG A 88 -14.729 5.780 -8.225 1.00 0.00 C ATOM 1356 C ARG A 88 -13.208 5.809 -8.288 1.00 0.00 C ATOM 1357 O ARG A 88 -12.619 5.662 -9.359 1.00 0.00 O ATOM 1358 CB ARG A 88 -15.228 4.429 -8.715 1.00 0.00 C ATOM 1359 CG ARG A 88 -14.597 3.227 -8.031 1.00 0.00 C ATOM 1360 CD ARG A 88 -15.334 1.973 -8.333 1.00 0.00 C ATOM 1361 NE ARG A 88 -15.441 1.738 -9.764 1.00 0.00 N ATOM 1362 CZ ARG A 88 -14.575 1.001 -10.485 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -13.544 0.435 -9.897 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -14.760 0.847 -11.785 1.00 0.00 N ATOM 0 H ARG A 88 -15.194 6.754 -10.022 1.00 0.00 H new ATOM 0 HA ARG A 88 -15.040 5.927 -7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -16.308 4.384 -8.573 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.044 4.357 -9.787 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.561 3.127 -8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.581 3.389 -6.953 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.825 1.131 -7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.332 2.025 -7.898 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.228 2.161 -10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.400 0.554 -8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.888 -0.123 -10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.559 1.287 -12.242 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.104 0.289 -12.331 1.00 0.00 H new ATOM 1378 N VAL A 89 -12.576 6.000 -7.135 1.00 0.00 N ATOM 1379 CA VAL A 89 -11.127 6.155 -7.072 1.00 0.00 C ATOM 1380 C VAL A 89 -10.485 5.020 -6.285 1.00 0.00 C ATOM 1381 O VAL A 89 -10.895 4.720 -5.163 1.00 0.00 O ATOM 1382 CB VAL A 89 -10.762 7.501 -6.417 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -9.252 7.649 -6.312 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -11.362 8.646 -7.219 1.00 0.00 C ATOM 0 H VAL A 89 -13.045 6.051 -6.231 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.746 6.130 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.175 7.528 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.012 8.605 -5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.848 6.839 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.812 7.609 -7.309 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.100 9.595 -6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.970 8.623 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.447 8.542 -7.246 1.00 0.00 H new ATOM 1394 N ASP A 90 -9.476 4.392 -6.878 1.00 0.00 N ATOM 1395 CA ASP A 90 -8.767 3.296 -6.228 1.00 0.00 C ATOM 1396 C ASP A 90 -7.323 3.216 -6.704 1.00 0.00 C ATOM 1397 O ASP A 90 -6.920 3.934 -7.620 1.00 0.00 O ATOM 1398 CB ASP A 90 -9.474 1.965 -6.496 1.00 0.00 C ATOM 1399 CG ASP A 90 -9.276 0.953 -5.377 1.00 0.00 C ATOM 1400 OD1 ASP A 90 -8.361 1.121 -4.606 1.00 0.00 O ATOM 1401 OD2 ASP A 90 -10.041 0.021 -5.303 1.00 0.00 O ATOM 0 H ASP A 90 -9.130 4.624 -7.809 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.767 3.492 -5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.540 2.147 -6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.102 1.544 -7.430 1.00 0.00 H new ATOM 1406 N ASN A 91 -6.546 2.338 -6.078 1.00 0.00 N ATOM 1407 CA ASN A 91 -5.125 2.221 -6.379 1.00 0.00 C ATOM 1408 C ASN A 91 -4.900 1.522 -7.713 1.00 0.00 C ATOM 1409 O ASN A 91 -5.278 0.363 -7.889 1.00 0.00 O ATOM 1410 CB ASN A 91 -4.401 1.488 -5.263 1.00 0.00 C ATOM 1411 CG ASN A 91 -2.908 1.500 -5.438 1.00 0.00 C ATOM 1412 OD1 ASN A 91 -2.398 1.850 -6.508 1.00 0.00 O ATOM 1413 ND2 ASN A 91 -2.197 1.124 -4.405 1.00 0.00 N ATOM 0 H ASN A 91 -6.878 1.696 -5.358 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.715 3.228 -6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.655 1.947 -4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.750 0.456 -5.224 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.179 1.112 -4.464 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.661 0.843 -3.541 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.282 2.232 -8.651 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.065 1.705 -9.993 1.00 0.00 C ATOM 1422 C ALA A 92 -3.127 0.505 -9.968 1.00 0.00 C ATOM 1423 O ALA A 92 -3.140 -0.325 -10.877 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.511 2.790 -10.905 1.00 0.00 C ATOM 0 H ALA A 92 -3.922 3.175 -8.506 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.027 1.373 -10.384 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.354 2.381 -11.903 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.219 3.617 -10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -2.562 3.150 -10.507 1.00 0.00 H new ATOM 1430 N ALA A 93 -2.313 0.418 -8.921 1.00 0.00 N ATOM 1431 CA ALA A 93 -1.316 -0.641 -8.811 1.00 0.00 C ATOM 1432 C ALA A 93 -1.941 -1.934 -8.303 1.00 0.00 C ATOM 1433 O ALA A 93 -1.305 -2.988 -8.313 1.00 0.00 O ATOM 1434 CB ALA A 93 -0.181 -0.207 -7.896 1.00 0.00 C ATOM 0 H ALA A 93 -2.324 1.069 -8.136 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.913 -0.829 -9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.555 -1.008 -7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.293 0.686 -8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.577 0.012 -6.904 1.00 0.00 H new ATOM 1440 N SER A 94 -3.190 -1.847 -7.858 1.00 0.00 N ATOM 1441 CA SER A 94 -3.899 -3.008 -7.334 1.00 0.00 C ATOM 1442 C SER A 94 -4.138 -4.046 -8.424 1.00 0.00 C ATOM 1443 O SER A 94 -4.494 -3.705 -9.552 1.00 0.00 O ATOM 1444 CB SER A 94 -5.223 -2.582 -6.731 1.00 0.00 C ATOM 1445 OG SER A 94 -5.956 -3.693 -6.293 1.00 0.00 O ATOM 0 H SER A 94 -3.733 -0.983 -7.850 1.00 0.00 H new ATOM 0 HA SER A 94 -3.278 -3.461 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.045 -1.906 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.802 -2.028 -7.470 1.00 0.00 H new ATOM 0 HG SER A 94 -6.805 -3.393 -5.906 1.00 0.00 H new ATOM 1451 N GLU A 95 -3.939 -5.313 -8.080 1.00 0.00 N ATOM 1452 CA GLU A 95 -4.046 -6.396 -9.051 1.00 0.00 C ATOM 1453 C GLU A 95 -5.484 -6.577 -9.519 1.00 0.00 C ATOM 1454 O GLU A 95 -5.731 -6.947 -10.666 1.00 0.00 O ATOM 1455 CB GLU A 95 -3.526 -7.704 -8.450 1.00 0.00 C ATOM 1456 CG GLU A 95 -2.035 -7.707 -8.143 1.00 0.00 C ATOM 1457 CD GLU A 95 -1.186 -7.491 -9.365 1.00 0.00 C ATOM 1458 OE1 GLU A 95 -1.421 -8.146 -10.351 1.00 0.00 O ATOM 1459 OE2 GLU A 95 -0.302 -6.669 -9.311 1.00 0.00 O ATOM 0 H GLU A 95 -3.702 -5.616 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.436 -6.131 -9.914 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.074 -7.910 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.744 -8.519 -9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.818 -6.927 -7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.766 -8.658 -7.683 1.00 0.00 H new ATOM 1466 N LYS A 96 -6.430 -6.314 -8.623 1.00 0.00 N ATOM 1467 CA LYS A 96 -7.846 -6.398 -8.958 1.00 0.00 C ATOM 1468 C LYS A 96 -8.225 -5.371 -10.017 1.00 0.00 C ATOM 1469 O LYS A 96 -9.033 -5.647 -10.903 1.00 0.00 O ATOM 1470 CB LYS A 96 -8.705 -6.205 -7.707 1.00 0.00 C ATOM 1471 CG LYS A 96 -8.644 -7.361 -6.717 1.00 0.00 C ATOM 1472 CD LYS A 96 -9.508 -7.089 -5.495 1.00 0.00 C ATOM 1473 CE LYS A 96 -9.441 -8.239 -4.501 1.00 0.00 C ATOM 1474 NZ LYS A 96 -10.252 -7.969 -3.283 1.00 0.00 N ATOM 0 H LYS A 96 -6.241 -6.041 -7.659 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.033 -7.391 -9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.389 -5.293 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.741 -6.058 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.977 -8.277 -7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.612 -7.522 -6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.179 -6.169 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.541 -6.934 -5.805 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.796 -9.152 -4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.403 -8.412 -4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.179 -8.776 -2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.897 -7.112 -2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.247 -7.830 -3.552 1.00 0.00 H new ATOM 1488 N ASN A 97 -7.636 -4.184 -9.919 1.00 0.00 N ATOM 1489 CA ASN A 97 -7.885 -3.122 -10.887 1.00 0.00 C ATOM 1490 C ASN A 97 -7.215 -3.425 -12.221 1.00 0.00 C ATOM 1491 O ASN A 97 -7.712 -3.038 -13.278 1.00 0.00 O ATOM 1492 CB ASN A 97 -7.417 -1.784 -10.345 1.00 0.00 C ATOM 1493 CG ASN A 97 -8.309 -1.259 -9.255 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -9.516 -1.526 -9.240 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -7.738 -0.516 -8.341 1.00 0.00 N ATOM 0 H ASN A 97 -6.982 -3.933 -9.178 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.960 -3.069 -11.057 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.402 -1.886 -9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.379 -1.060 -11.159 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.293 -0.132 -7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.738 -0.322 -8.393 1.00 0.00 H new ATOM 1502 N LYS A 98 -6.083 -4.118 -12.164 1.00 0.00 N ATOM 1503 CA LYS A 98 -5.419 -4.601 -13.370 1.00 0.00 C ATOM 1504 C LYS A 98 -6.307 -5.574 -14.135 1.00 0.00 C ATOM 1505 O LYS A 98 -6.356 -5.548 -15.365 1.00 0.00 O ATOM 1506 CB LYS A 98 -4.089 -5.269 -13.018 1.00 0.00 C ATOM 1507 CG LYS A 98 -3.008 -4.306 -12.544 1.00 0.00 C ATOM 1508 CD LYS A 98 -1.726 -5.046 -12.191 1.00 0.00 C ATOM 1509 CE LYS A 98 -0.675 -4.098 -11.631 1.00 0.00 C ATOM 1510 NZ LYS A 98 0.564 -4.816 -11.226 1.00 0.00 N ATOM 0 H LYS A 98 -5.606 -4.358 -11.295 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.224 -3.741 -14.011 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.264 -6.012 -12.239 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.723 -5.805 -13.893 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.804 -3.572 -13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.364 -3.755 -11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.943 -5.825 -11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.334 -5.543 -13.079 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.429 -3.345 -12.380 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.085 -3.569 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.295 -4.125 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.359 -5.431 -10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.905 -5.395 -12.020 1.00 0.00 H new ATOM 1524 N GLU A 99 -7.007 -6.431 -13.401 1.00 0.00 N ATOM 1525 CA GLU A 99 -7.936 -7.378 -14.006 1.00 0.00 C ATOM 1526 C GLU A 99 -9.123 -6.661 -14.635 1.00 0.00 C ATOM 1527 O GLU A 99 -9.620 -7.065 -15.686 1.00 0.00 O ATOM 1528 CB GLU A 99 -8.429 -8.383 -12.963 1.00 0.00 C ATOM 1529 CG GLU A 99 -7.364 -9.353 -12.472 1.00 0.00 C ATOM 1530 CD GLU A 99 -6.808 -10.217 -13.569 1.00 0.00 C ATOM 1531 OE1 GLU A 99 -7.582 -10.791 -14.297 1.00 0.00 O ATOM 1532 OE2 GLU A 99 -5.608 -10.304 -13.679 1.00 0.00 O ATOM 0 H GLU A 99 -6.949 -6.490 -12.384 1.00 0.00 H new ATOM 0 HA GLU A 99 -7.402 -7.911 -14.792 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.826 -7.836 -12.108 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -9.255 -8.954 -13.388 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.551 -8.790 -12.013 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.789 -9.989 -11.696 1.00 0.00 H new ATOM 1539 N GLU A 100 -9.575 -5.593 -13.985 1.00 0.00 N ATOM 1540 CA GLU A 100 -10.581 -4.712 -14.565 1.00 0.00 C ATOM 1541 C GLU A 100 -10.088 -4.095 -15.867 1.00 0.00 C ATOM 1542 O GLU A 100 -10.812 -4.061 -16.862 1.00 0.00 O ATOM 1543 CB GLU A 100 -10.956 -3.607 -13.575 1.00 0.00 C ATOM 1544 CG GLU A 100 -12.021 -2.644 -14.081 1.00 0.00 C ATOM 1545 CD GLU A 100 -12.435 -1.633 -13.048 1.00 0.00 C ATOM 1546 OE1 GLU A 100 -11.931 -1.692 -11.952 1.00 0.00 O ATOM 1547 OE2 GLU A 100 -13.255 -0.801 -13.356 1.00 0.00 O ATOM 0 H GLU A 100 -9.260 -5.317 -13.055 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.464 -5.313 -14.783 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.309 -4.067 -12.652 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.059 -3.040 -13.326 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.644 -2.123 -14.961 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.896 -3.212 -14.397 1.00 0.00 H new ATOM 1554 N LEU A 101 -8.852 -3.608 -15.855 1.00 0.00 N ATOM 1555 CA LEU A 101 -8.255 -3.002 -17.039 1.00 0.00 C ATOM 1556 C LEU A 101 -8.168 -4.002 -18.185 1.00 0.00 C ATOM 1557 O LEU A 101 -8.315 -3.638 -19.352 1.00 0.00 O ATOM 1558 CB LEU A 101 -6.856 -2.466 -16.712 1.00 0.00 C ATOM 1559 CG LEU A 101 -6.813 -1.224 -15.812 1.00 0.00 C ATOM 1560 CD1 LEU A 101 -5.376 -0.950 -15.391 1.00 0.00 C ATOM 1561 CD2 LEU A 101 -7.400 -0.035 -16.559 1.00 0.00 C ATOM 0 H LEU A 101 -8.243 -3.621 -15.037 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.895 -2.177 -17.351 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.286 -3.261 -16.231 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.349 -2.232 -17.648 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.407 -1.394 -14.914 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.346 -0.068 -14.752 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.987 -1.808 -14.843 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.764 -0.777 -16.276 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.370 0.847 -15.920 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.818 0.151 -17.462 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -8.433 -0.250 -16.831 1.00 0.00 H new ATOM 1573 N LYS A 102 -7.926 -5.264 -17.845 1.00 0.00 N ATOM 1574 CA LYS A 102 -7.899 -6.332 -18.837 1.00 0.00 C ATOM 1575 C LYS A 102 -9.251 -6.481 -19.524 1.00 0.00 C ATOM 1576 O LYS A 102 -9.324 -6.666 -20.739 1.00 0.00 O ATOM 1577 CB LYS A 102 -7.491 -7.655 -18.188 1.00 0.00 C ATOM 1578 CG LYS A 102 -6.024 -7.734 -17.787 1.00 0.00 C ATOM 1579 CD LYS A 102 -5.709 -9.053 -17.099 1.00 0.00 C ATOM 1580 CE LYS A 102 -4.259 -9.106 -16.640 1.00 0.00 C ATOM 1581 NZ LYS A 102 -3.950 -10.369 -15.916 1.00 0.00 N ATOM 0 H LYS A 102 -7.746 -5.572 -16.889 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.160 -6.066 -19.593 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.106 -7.816 -17.303 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.710 -8.468 -18.880 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.397 -7.624 -18.672 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.782 -6.907 -17.120 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.369 -9.185 -16.242 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.906 -9.878 -17.783 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.601 -9.013 -17.504 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.053 -8.256 -15.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.004 -10.302 -15.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.657 -10.522 -15.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.973 -11.166 -16.583 1.00 0.00 H new ATOM 1595 N SER A 103 -10.320 -6.398 -18.739 1.00 0.00 N ATOM 1596 CA SER A 103 -11.673 -6.496 -19.274 1.00 0.00 C ATOM 1597 C SER A 103 -12.065 -5.226 -20.018 1.00 0.00 C ATOM 1598 O SER A 103 -12.901 -5.257 -20.921 1.00 0.00 O ATOM 1599 CB SER A 103 -12.659 -6.762 -18.154 1.00 0.00 C ATOM 1600 OG SER A 103 -12.789 -5.642 -17.323 1.00 0.00 O ATOM 0 H SER A 103 -10.275 -6.263 -17.729 1.00 0.00 H new ATOM 0 HA SER A 103 -11.696 -7.326 -19.980 1.00 0.00 H new ATOM 0 HB2 SER A 103 -13.631 -7.022 -18.574 1.00 0.00 H new ATOM 0 HB3 SER A 103 -12.326 -7.618 -17.567 1.00 0.00 H new ATOM 0 HG SER A 103 -11.900 -5.292 -17.105 1.00 0.00 H new ATOM 1606 N LEU A 104 -11.457 -4.109 -19.633 1.00 0.00 N ATOM 1607 CA LEU A 104 -11.661 -2.846 -20.331 1.00 0.00 C ATOM 1608 C LEU A 104 -10.880 -2.808 -21.639 1.00 0.00 C ATOM 1609 O LEU A 104 -11.298 -2.168 -22.604 1.00 0.00 O ATOM 1610 CB LEU A 104 -11.235 -1.673 -19.440 1.00 0.00 C ATOM 1611 CG LEU A 104 -12.109 -1.425 -18.204 1.00 0.00 C ATOM 1612 CD1 LEU A 104 -11.460 -0.361 -17.328 1.00 0.00 C ATOM 1613 CD2 LEU A 104 -13.501 -0.997 -18.644 1.00 0.00 C ATOM 0 H LEU A 104 -10.818 -4.053 -18.840 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.723 -2.758 -20.561 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -10.211 -1.845 -19.109 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.227 -0.766 -20.044 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.200 -2.342 -17.621 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -12.081 -0.185 -16.450 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.474 -0.701 -17.013 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.361 0.565 -17.894 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.122 -0.821 -17.766 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -13.432 -0.080 -19.229 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -13.948 -1.783 -19.253 1.00 0.00 H new ATOM 1625 N GLY A 105 -9.744 -3.497 -21.665 1.00 0.00 N ATOM 1626 CA GLY A 105 -8.917 -3.565 -22.863 1.00 0.00 C ATOM 1627 C GLY A 105 -7.974 -2.371 -22.950 1.00 0.00 C ATOM 1628 O GLY A 105 -7.643 -1.909 -24.042 1.00 0.00 O ATOM 0 H GLY A 105 -9.375 -4.017 -20.869 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.339 -4.489 -22.857 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.554 -3.594 -23.747 1.00 0.00 H new ATOM 1632 N THR A 106 -7.545 -1.877 -21.794 1.00 0.00 N ATOM 1633 CA THR A 106 -6.651 -0.727 -21.737 1.00 0.00 C ATOM 1634 C THR A 106 -5.455 -1.003 -20.836 1.00 0.00 C ATOM 1635 O THR A 106 -4.527 -1.642 -21.250 1.00 0.00 O ATOM 1636 CB THR A 106 -7.393 0.528 -21.241 1.00 0.00 C ATOM 1637 OG1 THR A 106 -8.458 0.846 -22.147 1.00 0.00 O ATOM 1638 CG2 THR A 106 -6.440 1.710 -21.151 1.00 0.00 C ATOM 0 H THR A 106 -7.802 -2.256 -20.883 1.00 0.00 H new ATOM 0 HA THR A 106 -6.292 -0.547 -22.750 1.00 0.00 H new ATOM 0 HB THR A 106 -7.798 0.324 -20.250 1.00 0.00 H new ATOM 0 HG1 THR A 106 -9.248 1.125 -21.638 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.982 2.588 -20.799 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.635 1.476 -20.454 1.00 0.00 H new ATOM 0 HG23 THR A 106 -6.019 1.914 -22.136 1.00 0.00 H new TER 1646 THR A 106