USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 978 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 52 GLN : amide:sc= 0.409 K(o=0.79,f=-0.4) USER MOD Set 1.2: A 116 THR OG1 : rot -60:sc= 0.379 USER MOD Set 2.1: A 37 GLN :FLIP amide:sc= -0.45 F(o=0.039,f=0.79) USER MOD Set 2.2: A 107 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -103:sc= -0.0385 (180deg=-0.27) USER MOD Single : A 3 HIS : no HD1:sc= -0.0574 X(o=-0.057,f=-0.0023) USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.0813 (180deg=-0.51) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0355) USER MOD Single : A 7 LYS NZ :NH3+ -147:sc= -0.211 (180deg=-1.21) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 16 HIS : no HD1:sc= 0.131 K(o=0.13,f=-1.6) USER MOD Single : A 21 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.99 K(o=-2,f=-4.7!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -6.45! C(o=-8.1!,f=-6.5!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN :FLIP amide:sc= 0.324 F(o=-0.26,f=0.32) USER MOD Single : A 44 ASN : amide:sc= -0.602 K(o=-0.6,f=-5.1!) USER MOD Single : A 46 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.4) USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= -0.178 (180deg=-0.777) USER MOD Single : A 48 SER OG : rot -150:sc= -0.214 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -40:sc= -4.65! USER MOD Single : A 65 MET CE :methyl -154:sc= -5.93! (180deg=-6.6!) USER MOD Single : A 70 GLN : amide:sc= -2.47 K(o=-2.5,f=-4.4!) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= -0.0279 (180deg=-0.249) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.427 X(o=-0.43,f=-0.59) USER MOD Single : A 89 ASN : amide:sc= -0.598 K(o=-0.6,f=-2.8!) USER MOD Single : A 90 TYR OH : rot -171:sc= 0.143 USER MOD Single : A 94 GLN : amide:sc= -0.0758 X(o=-0.076,f=-0.54) USER MOD Single : A 95 THR OG1 : rot 97:sc= 0.918 USER MOD Single : A 97 SER OG : rot 155:sc= 0.622 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 175:sc= -0.0262 (180deg=-0.0372) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.0871 X(o=-0.087,f=-0.064) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 166:sc= -0.0604 (180deg=-0.341) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 2.377 11.492 -12.870 1.00 0.00 N ATOM 2 CA GLN A 1 1.835 12.629 -13.604 1.00 0.00 C ATOM 3 C GLN A 1 1.419 13.745 -12.650 1.00 0.00 C ATOM 4 O GLN A 1 0.351 14.337 -12.801 1.00 0.00 O ATOM 5 CB GLN A 1 0.636 12.192 -14.449 1.00 0.00 C ATOM 6 CG GLN A 1 1.016 11.332 -15.644 1.00 0.00 C ATOM 7 CD GLN A 1 1.300 12.153 -16.887 1.00 0.00 C ATOM 8 OE1 GLN A 1 0.381 12.564 -17.596 1.00 0.00 O ATOM 9 NE2 GLN A 1 2.577 12.396 -17.157 1.00 0.00 N ATOM 0 H1 GLN A 1 3.414 11.492 -12.946 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.103 11.562 -11.869 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.001 10.609 -13.271 1.00 0.00 H new ATOM 0 HA GLN A 1 2.616 13.010 -14.262 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -0.059 11.637 -13.819 1.00 0.00 H new ATOM 0 HB3 GLN A 1 0.109 13.078 -14.802 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.897 10.740 -15.395 1.00 0.00 H new ATOM 0 HG3 GLN A 1 0.209 10.630 -15.853 1.00 0.00 H new ATOM 0 HE21 GLN A 1 3.306 12.035 -16.541 1.00 0.00 H new ATOM 0 HE22 GLN A 1 2.829 12.943 -17.980 1.00 0.00 H new ATOM 18 N GLU A 2 2.270 14.024 -11.668 1.00 0.00 N ATOM 19 CA GLU A 2 1.990 15.067 -10.689 1.00 0.00 C ATOM 20 C GLU A 2 2.986 16.217 -10.818 1.00 0.00 C ATOM 21 O GLU A 2 3.289 16.903 -9.843 1.00 0.00 O ATOM 22 CB GLU A 2 2.038 14.494 -9.271 1.00 0.00 C ATOM 23 CG GLU A 2 3.301 13.701 -8.978 1.00 0.00 C ATOM 24 CD GLU A 2 3.177 12.242 -9.371 1.00 0.00 C ATOM 25 OE1 GLU A 2 2.082 11.669 -9.187 1.00 0.00 O ATOM 26 OE2 GLU A 2 4.174 11.672 -9.861 1.00 0.00 O ATOM 0 H GLU A 2 3.158 13.543 -11.529 1.00 0.00 H new ATOM 0 HA GLU A 2 0.989 15.452 -10.884 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.958 15.312 -8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.171 13.851 -9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.139 14.148 -9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.530 13.769 -7.914 1.00 0.00 H new ATOM 33 N HIS A 3 3.491 16.420 -12.031 1.00 0.00 N ATOM 34 CA HIS A 3 4.453 17.486 -12.290 1.00 0.00 C ATOM 35 C HIS A 3 3.747 18.750 -12.771 1.00 0.00 C ATOM 36 O HIS A 3 3.831 19.113 -13.944 1.00 0.00 O ATOM 37 CB HIS A 3 5.479 17.034 -13.329 1.00 0.00 C ATOM 38 CG HIS A 3 6.746 17.832 -13.306 1.00 0.00 C ATOM 39 ND1 HIS A 3 7.328 18.356 -14.441 1.00 0.00 N ATOM 40 CD2 HIS A 3 7.543 18.198 -12.274 1.00 0.00 C ATOM 41 CE1 HIS A 3 8.429 19.007 -14.110 1.00 0.00 C ATOM 42 NE2 HIS A 3 8.582 18.926 -12.800 1.00 0.00 N ATOM 0 H HIS A 3 3.250 15.861 -12.849 1.00 0.00 H new ATOM 0 HA HIS A 3 4.968 17.712 -11.356 1.00 0.00 H new ATOM 0 HB2 HIS A 3 5.717 15.984 -13.159 1.00 0.00 H new ATOM 0 HB3 HIS A 3 5.034 17.103 -14.321 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.390 17.961 -11.231 1.00 0.00 H new ATOM 0 HE1 HIS A 3 9.091 19.518 -14.793 1.00 0.00 H new ATOM 0 HE2 HIS A 3 9.348 19.337 -12.266 1.00 0.00 H new ATOM 50 N LYS A 4 3.049 19.416 -11.857 1.00 0.00 N ATOM 51 CA LYS A 4 2.328 20.640 -12.186 1.00 0.00 C ATOM 52 C LYS A 4 3.209 21.866 -11.968 1.00 0.00 C ATOM 53 O LYS A 4 4.197 21.829 -11.234 1.00 0.00 O ATOM 54 CB LYS A 4 1.060 20.753 -11.338 1.00 0.00 C ATOM 55 CG LYS A 4 -0.114 19.964 -11.890 1.00 0.00 C ATOM 56 CD LYS A 4 -0.601 20.539 -13.210 1.00 0.00 C ATOM 57 CE LYS A 4 -1.830 19.803 -13.720 1.00 0.00 C ATOM 58 NZ LYS A 4 -2.902 19.732 -12.687 1.00 0.00 N ATOM 0 H LYS A 4 2.967 19.128 -10.882 1.00 0.00 H new ATOM 0 HA LYS A 4 2.051 20.596 -13.239 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.277 20.406 -10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.777 21.803 -11.261 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.180 18.924 -12.031 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.929 19.969 -11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.835 21.596 -13.083 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.196 20.476 -13.951 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.213 20.307 -14.607 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.550 18.794 -14.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.799 19.459 -13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.645 19.025 -11.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.010 20.662 -12.235 1.00 0.00 H new ATOM 72 N PRO A 5 2.846 22.981 -12.620 1.00 0.00 N ATOM 73 CA PRO A 5 3.589 24.239 -12.510 1.00 0.00 C ATOM 74 C PRO A 5 3.446 24.880 -11.134 1.00 0.00 C ATOM 75 O PRO A 5 4.231 25.750 -10.757 1.00 0.00 O ATOM 76 CB PRO A 5 2.945 25.125 -13.581 1.00 0.00 C ATOM 77 CG PRO A 5 1.569 24.579 -13.747 1.00 0.00 C ATOM 78 CD PRO A 5 1.679 23.099 -13.511 1.00 0.00 C ATOM 0 HA PRO A 5 4.661 24.092 -12.645 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.922 26.169 -13.269 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.503 25.084 -14.517 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.879 25.037 -13.038 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.184 24.787 -14.745 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.778 22.698 -13.048 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.828 22.554 -14.443 1.00 0.00 H new ATOM 86 N LYS A 6 2.440 24.442 -10.384 1.00 0.00 N ATOM 87 CA LYS A 6 2.195 24.972 -9.047 1.00 0.00 C ATOM 88 C LYS A 6 2.518 23.928 -7.982 1.00 0.00 C ATOM 89 O LYS A 6 2.453 22.726 -8.237 1.00 0.00 O ATOM 90 CB LYS A 6 0.737 25.419 -8.913 1.00 0.00 C ATOM 91 CG LYS A 6 -0.264 24.294 -9.111 1.00 0.00 C ATOM 92 CD LYS A 6 -1.572 24.808 -9.689 1.00 0.00 C ATOM 93 CE LYS A 6 -1.416 25.212 -11.148 1.00 0.00 C ATOM 94 NZ LYS A 6 -1.689 24.075 -12.070 1.00 0.00 N ATOM 0 H LYS A 6 1.781 23.721 -10.679 1.00 0.00 H new ATOM 0 HA LYS A 6 2.847 25.832 -8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.589 25.856 -7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.538 26.204 -9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.159 23.542 -9.777 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.455 23.803 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.337 24.036 -9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.916 25.664 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.097 26.033 -11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.404 25.582 -11.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.349 24.312 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.197 23.225 -11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.712 23.893 -12.103 1.00 0.00 H new ATOM 108 N LYS A 7 2.865 24.397 -6.789 1.00 0.00 N ATOM 109 CA LYS A 7 3.197 23.506 -5.684 1.00 0.00 C ATOM 110 C LYS A 7 2.436 23.899 -4.421 1.00 0.00 C ATOM 111 O LYS A 7 2.636 24.987 -3.879 1.00 0.00 O ATOM 112 CB LYS A 7 4.703 23.531 -5.414 1.00 0.00 C ATOM 113 CG LYS A 7 5.159 22.485 -4.412 1.00 0.00 C ATOM 114 CD LYS A 7 5.357 21.130 -5.070 1.00 0.00 C ATOM 115 CE LYS A 7 6.775 20.970 -5.599 1.00 0.00 C ATOM 116 NZ LYS A 7 6.925 21.542 -6.965 1.00 0.00 N ATOM 0 H LYS A 7 2.924 25.390 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 7 2.903 22.495 -5.965 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.235 23.378 -6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.981 24.519 -5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.093 22.806 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.421 22.399 -3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.145 20.340 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.647 21.014 -5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.473 21.461 -4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.039 19.913 -5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.620 20.984 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.008 21.516 -7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.252 22.527 -6.895 1.00 0.00 H new ATOM 130 N ASP A 8 1.568 23.008 -3.956 1.00 0.00 N ATOM 131 CA ASP A 8 0.781 23.262 -2.755 1.00 0.00 C ATOM 132 C ASP A 8 -0.008 24.560 -2.887 1.00 0.00 C ATOM 133 O ASP A 8 -0.295 25.228 -1.893 1.00 0.00 O ATOM 134 CB ASP A 8 1.690 23.325 -1.527 1.00 0.00 C ATOM 135 CG ASP A 8 0.990 22.864 -0.264 1.00 0.00 C ATOM 136 OD1 ASP A 8 0.667 21.662 -0.170 1.00 0.00 O ATOM 137 OD2 ASP A 8 0.764 23.706 0.630 1.00 0.00 O ATOM 0 H ASP A 8 1.391 22.103 -4.392 1.00 0.00 H new ATOM 0 HA ASP A 8 0.075 22.440 -2.632 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.570 22.705 -1.698 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.042 24.348 -1.391 1.00 0.00 H new ATOM 142 N ASP A 9 -0.355 24.913 -4.120 1.00 0.00 N ATOM 143 CA ASP A 9 -1.111 26.133 -4.382 1.00 0.00 C ATOM 144 C ASP A 9 -2.608 25.844 -4.439 1.00 0.00 C ATOM 145 O ASP A 9 -3.409 26.541 -3.818 1.00 0.00 O ATOM 146 CB ASP A 9 -0.651 26.771 -5.694 1.00 0.00 C ATOM 147 CG ASP A 9 -1.182 28.181 -5.869 1.00 0.00 C ATOM 148 OD1 ASP A 9 -2.411 28.336 -6.024 1.00 0.00 O ATOM 149 OD2 ASP A 9 -0.368 29.128 -5.853 1.00 0.00 O ATOM 0 H ASP A 9 -0.125 24.372 -4.954 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.925 26.829 -3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.438 26.790 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.982 26.155 -6.530 1.00 0.00 H new ATOM 154 N PHE A 10 -2.977 24.810 -5.190 1.00 0.00 N ATOM 155 CA PHE A 10 -4.377 24.429 -5.330 1.00 0.00 C ATOM 156 C PHE A 10 -4.665 23.132 -4.580 1.00 0.00 C ATOM 157 O PHE A 10 -5.799 22.879 -4.170 1.00 0.00 O ATOM 158 CB PHE A 10 -4.738 24.268 -6.809 1.00 0.00 C ATOM 159 CG PHE A 10 -6.194 24.492 -7.098 1.00 0.00 C ATOM 160 CD1 PHE A 10 -7.113 23.467 -6.933 1.00 0.00 C ATOM 161 CD2 PHE A 10 -6.646 25.727 -7.534 1.00 0.00 C ATOM 162 CE1 PHE A 10 -8.453 23.670 -7.200 1.00 0.00 C ATOM 163 CE2 PHE A 10 -7.985 25.936 -7.802 1.00 0.00 C ATOM 164 CZ PHE A 10 -8.891 24.906 -7.633 1.00 0.00 C ATOM 0 H PHE A 10 -2.326 24.222 -5.710 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.989 25.221 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.147 24.970 -7.398 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.461 23.266 -7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.777 22.499 -6.592 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.943 26.536 -7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.158 22.862 -7.070 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.323 26.903 -8.143 1.00 0.00 H new ATOM 0 HZ PHE A 10 -9.939 25.067 -7.839 1.00 0.00 H new ATOM 174 N ARG A 11 -3.633 22.316 -4.404 1.00 0.00 N ATOM 175 CA ARG A 11 -3.775 21.043 -3.705 1.00 0.00 C ATOM 176 C ARG A 11 -4.445 21.241 -2.348 1.00 0.00 C ATOM 177 O ARG A 11 -5.358 20.502 -1.983 1.00 0.00 O ATOM 178 CB ARG A 11 -2.407 20.384 -3.519 1.00 0.00 C ATOM 179 CG ARG A 11 -1.885 19.702 -4.772 1.00 0.00 C ATOM 180 CD ARG A 11 -2.565 18.362 -5.002 1.00 0.00 C ATOM 181 NE ARG A 11 -1.936 17.290 -4.236 1.00 0.00 N ATOM 182 CZ ARG A 11 -2.188 16.000 -4.431 1.00 0.00 C ATOM 183 NH1 ARG A 11 -3.050 15.625 -5.366 1.00 0.00 N ATOM 184 NH2 ARG A 11 -1.575 15.084 -3.693 1.00 0.00 N ATOM 0 H ARG A 11 -2.688 22.512 -4.735 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.405 20.392 -4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.689 21.140 -3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.473 19.650 -2.716 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.050 20.348 -5.634 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.808 19.555 -4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.616 18.437 -4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.532 18.116 -6.063 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.266 17.546 -3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.521 16.327 -5.937 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.242 14.634 -5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.909 15.370 -2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.769 14.094 -3.844 1.00 0.00 H new ATOM 198 N ASN A 12 -3.984 22.243 -1.606 1.00 0.00 N ATOM 199 CA ASN A 12 -4.537 22.537 -0.290 1.00 0.00 C ATOM 200 C ASN A 12 -4.524 21.296 0.596 1.00 0.00 C ATOM 201 O ASN A 12 -5.546 20.918 1.168 1.00 0.00 O ATOM 202 CB ASN A 12 -5.966 23.068 -0.422 1.00 0.00 C ATOM 203 CG ASN A 12 -6.006 24.529 -0.824 1.00 0.00 C ATOM 204 OD1 ASN A 12 -6.251 24.859 -1.984 1.00 0.00 O ATOM 205 ND2 ASN A 12 -5.764 25.414 0.136 1.00 0.00 N ATOM 0 H ASN A 12 -3.229 22.865 -1.894 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.914 23.300 0.176 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.504 22.476 -1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.487 22.941 0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.777 26.412 -0.075 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.565 25.096 1.085 1.00 0.00 H new ATOM 212 N GLU A 13 -3.358 20.666 0.705 1.00 0.00 N ATOM 213 CA GLU A 13 -3.212 19.465 1.521 1.00 0.00 C ATOM 214 C GLU A 13 -3.592 19.745 2.972 1.00 0.00 C ATOM 215 O GLU A 13 -3.690 20.900 3.388 1.00 0.00 O ATOM 216 CB GLU A 13 -1.775 18.945 1.450 1.00 0.00 C ATOM 217 CG GLU A 13 -1.645 17.469 1.781 1.00 0.00 C ATOM 218 CD GLU A 13 -2.561 16.600 0.941 1.00 0.00 C ATOM 219 OE1 GLU A 13 -2.464 16.662 -0.302 1.00 0.00 O ATOM 220 OE2 GLU A 13 -3.375 15.856 1.528 1.00 0.00 O ATOM 0 H GLU A 13 -2.502 20.967 0.239 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.886 18.704 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.383 19.120 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.155 19.519 2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.612 17.156 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.872 17.316 2.836 1.00 0.00 H new ATOM 227 N PHE A 14 -3.804 18.680 3.738 1.00 0.00 N ATOM 228 CA PHE A 14 -4.175 18.810 5.142 1.00 0.00 C ATOM 229 C PHE A 14 -5.526 19.507 5.286 1.00 0.00 C ATOM 230 O PHE A 14 -5.765 20.225 6.256 1.00 0.00 O ATOM 231 CB PHE A 14 -3.102 19.590 5.905 1.00 0.00 C ATOM 232 CG PHE A 14 -3.013 19.222 7.359 1.00 0.00 C ATOM 233 CD1 PHE A 14 -2.740 17.918 7.742 1.00 0.00 C ATOM 234 CD2 PHE A 14 -3.205 20.180 8.342 1.00 0.00 C ATOM 235 CE1 PHE A 14 -2.657 17.577 9.078 1.00 0.00 C ATOM 236 CE2 PHE A 14 -3.122 19.843 9.679 1.00 0.00 C ATOM 237 CZ PHE A 14 -2.849 18.540 10.048 1.00 0.00 C ATOM 0 H PHE A 14 -3.725 17.717 3.410 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.256 17.809 5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.134 19.416 5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.310 20.657 5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.591 17.160 6.987 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.422 21.200 8.060 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.442 16.558 9.363 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.271 20.599 10.436 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.786 18.275 11.093 1.00 0.00 H new ATOM 247 N ASP A 15 -6.404 19.288 4.314 1.00 0.00 N ATOM 248 CA ASP A 15 -7.730 19.893 4.331 1.00 0.00 C ATOM 249 C ASP A 15 -8.610 19.243 5.395 1.00 0.00 C ATOM 250 O ASP A 15 -9.532 19.868 5.919 1.00 0.00 O ATOM 251 CB ASP A 15 -8.391 19.766 2.957 1.00 0.00 C ATOM 252 CG ASP A 15 -9.265 20.959 2.622 1.00 0.00 C ATOM 253 OD1 ASP A 15 -10.005 21.422 3.515 1.00 0.00 O ATOM 254 OD2 ASP A 15 -9.207 21.430 1.468 1.00 0.00 O ATOM 0 H ASP A 15 -6.221 18.696 3.504 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.617 20.950 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.619 19.659 2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.994 18.858 2.930 1.00 0.00 H new ATOM 259 N HIS A 16 -8.320 17.984 5.706 1.00 0.00 N ATOM 260 CA HIS A 16 -9.085 17.248 6.707 1.00 0.00 C ATOM 261 C HIS A 16 -10.563 17.193 6.329 1.00 0.00 C ATOM 262 O HIS A 16 -11.404 17.814 6.978 1.00 0.00 O ATOM 263 CB HIS A 16 -8.923 17.897 8.082 1.00 0.00 C ATOM 264 CG HIS A 16 -7.678 17.476 8.799 1.00 0.00 C ATOM 265 ND1 HIS A 16 -7.168 16.196 8.736 1.00 0.00 N ATOM 266 CD2 HIS A 16 -6.838 18.175 9.598 1.00 0.00 C ATOM 267 CE1 HIS A 16 -6.070 16.126 9.466 1.00 0.00 C ATOM 268 NE2 HIS A 16 -5.846 17.313 10.000 1.00 0.00 N ATOM 0 H HIS A 16 -7.561 17.452 5.280 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.699 16.229 6.746 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.916 18.981 7.965 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -9.788 17.648 8.696 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.930 19.216 9.869 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.458 15.247 9.603 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.065 17.551 10.611 1.00 0.00 H new ATOM 276 N LEU A 17 -10.870 16.447 5.273 1.00 0.00 N ATOM 277 CA LEU A 17 -12.246 16.310 4.808 1.00 0.00 C ATOM 278 C LEU A 17 -12.621 14.841 4.641 1.00 0.00 C ATOM 279 O LEU A 17 -11.754 13.967 4.608 1.00 0.00 O ATOM 280 CB LEU A 17 -12.432 17.050 3.482 1.00 0.00 C ATOM 281 CG LEU A 17 -11.926 18.492 3.441 1.00 0.00 C ATOM 282 CD1 LEU A 17 -11.582 18.898 2.016 1.00 0.00 C ATOM 283 CD2 LEU A 17 -12.962 19.438 4.030 1.00 0.00 C ATOM 0 H LEU A 17 -10.185 15.928 4.723 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.903 16.750 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -11.924 16.486 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.494 17.052 3.236 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.020 18.555 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.224 19.927 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.805 18.240 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.471 18.818 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.585 20.460 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.885 19.371 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.160 19.162 5.066 1.00 0.00 H new ATOM 295 N LEU A 18 -13.918 14.577 4.534 1.00 0.00 N ATOM 296 CA LEU A 18 -14.410 13.213 4.367 1.00 0.00 C ATOM 297 C LEU A 18 -13.697 12.514 3.214 1.00 0.00 C ATOM 298 O LEU A 18 -12.896 11.602 3.428 1.00 0.00 O ATOM 299 CB LEU A 18 -15.919 13.220 4.118 1.00 0.00 C ATOM 300 CG LEU A 18 -16.796 12.813 5.303 1.00 0.00 C ATOM 301 CD1 LEU A 18 -18.268 12.977 4.958 1.00 0.00 C ATOM 302 CD2 LEU A 18 -16.500 11.378 5.717 1.00 0.00 C ATOM 0 H LEU A 18 -14.648 15.289 4.560 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.202 12.664 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.211 14.222 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.133 12.549 3.286 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.566 13.468 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.877 12.683 5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.470 14.019 4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.514 12.347 4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.133 11.105 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.702 10.709 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -15.453 11.291 6.006 1.00 0.00 H new ATOM 314 N ILE A 19 -13.989 12.949 1.993 1.00 0.00 N ATOM 315 CA ILE A 19 -13.374 12.367 0.807 1.00 0.00 C ATOM 316 C ILE A 19 -11.855 12.333 0.937 1.00 0.00 C ATOM 317 O ILE A 19 -11.198 11.436 0.410 1.00 0.00 O ATOM 318 CB ILE A 19 -13.751 13.149 -0.464 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.241 12.977 -0.771 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.906 12.687 -1.641 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.638 11.547 -1.061 1.00 0.00 C ATOM 0 H ILE A 19 -14.648 13.703 1.799 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.753 11.348 0.723 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.553 14.207 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.822 13.342 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.501 13.598 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.185 13.250 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.852 12.855 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.075 11.624 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.707 11.501 -1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -15.084 11.184 -1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.410 10.924 -0.196 1.00 0.00 H new ATOM 333 N GLU A 20 -11.305 13.315 1.644 1.00 0.00 N ATOM 334 CA GLU A 20 -9.862 13.396 1.845 1.00 0.00 C ATOM 335 C GLU A 20 -9.340 12.149 2.552 1.00 0.00 C ATOM 336 O GLU A 20 -8.423 11.487 2.069 1.00 0.00 O ATOM 337 CB GLU A 20 -9.507 14.643 2.656 1.00 0.00 C ATOM 338 CG GLU A 20 -8.063 15.086 2.490 1.00 0.00 C ATOM 339 CD GLU A 20 -7.672 15.267 1.036 1.00 0.00 C ATOM 340 OE1 GLU A 20 -8.130 16.250 0.417 1.00 0.00 O ATOM 341 OE2 GLU A 20 -6.908 14.427 0.518 1.00 0.00 O ATOM 0 H GLU A 20 -11.836 14.065 2.087 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.388 13.462 0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.165 15.459 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.699 14.447 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.911 16.025 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.405 14.349 2.950 1.00 0.00 H new ATOM 348 N GLN A 21 -9.931 11.838 3.701 1.00 0.00 N ATOM 349 CA GLN A 21 -9.525 10.672 4.477 1.00 0.00 C ATOM 350 C GLN A 21 -9.798 9.384 3.707 1.00 0.00 C ATOM 351 O GLN A 21 -8.992 8.454 3.727 1.00 0.00 O ATOM 352 CB GLN A 21 -10.260 10.644 5.819 1.00 0.00 C ATOM 353 CG GLN A 21 -9.961 11.844 6.702 1.00 0.00 C ATOM 354 CD GLN A 21 -10.892 11.938 7.894 1.00 0.00 C ATOM 355 OE1 GLN A 21 -11.423 13.006 8.198 1.00 0.00 O ATOM 356 NE2 GLN A 21 -11.095 10.817 8.577 1.00 0.00 N ATOM 0 H GLN A 21 -10.692 12.377 4.115 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.453 10.744 4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.333 10.597 5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.989 9.734 6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.931 11.783 7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.042 12.755 6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.634 9.954 8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.712 10.819 9.389 1.00 0.00 H new ATOM 365 N ALA A 22 -10.940 9.336 3.030 1.00 0.00 N ATOM 366 CA ALA A 22 -11.318 8.162 2.252 1.00 0.00 C ATOM 367 C ALA A 22 -10.338 7.921 1.110 1.00 0.00 C ATOM 368 O ALA A 22 -9.947 6.786 0.844 1.00 0.00 O ATOM 369 CB ALA A 22 -12.732 8.320 1.712 1.00 0.00 C ATOM 0 H ALA A 22 -11.620 10.096 3.004 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.287 7.295 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.001 7.437 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.428 8.435 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.781 9.201 1.073 1.00 0.00 H new ATOM 375 N ASN A 23 -9.943 8.998 0.437 1.00 0.00 N ATOM 376 CA ASN A 23 -9.008 8.902 -0.678 1.00 0.00 C ATOM 377 C ASN A 23 -7.635 8.445 -0.198 1.00 0.00 C ATOM 378 O ASN A 23 -6.975 7.634 -0.850 1.00 0.00 O ATOM 379 CB ASN A 23 -8.890 10.252 -1.389 1.00 0.00 C ATOM 380 CG ASN A 23 -9.751 10.328 -2.635 1.00 0.00 C ATOM 381 OD1 ASN A 23 -9.864 9.357 -3.383 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.363 11.484 -2.861 1.00 0.00 N ATOM 0 H ASN A 23 -10.256 9.946 0.645 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.392 8.162 -1.380 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.179 11.047 -0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.849 10.427 -1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.957 11.595 -3.683 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.240 12.262 -2.213 1.00 0.00 H new ATOM 389 N HIS A 24 -7.208 8.969 0.947 1.00 0.00 N ATOM 390 CA HIS A 24 -5.913 8.615 1.515 1.00 0.00 C ATOM 391 C HIS A 24 -5.881 7.143 1.916 1.00 0.00 C ATOM 392 O HIS A 24 -4.892 6.448 1.682 1.00 0.00 O ATOM 393 CB HIS A 24 -5.607 9.493 2.729 1.00 0.00 C ATOM 394 CG HIS A 24 -4.354 9.103 3.449 1.00 0.00 C ATOM 395 ND1 HIS A 24 -4.326 8.774 4.788 1.00 0.00 N ATOM 396 CD2 HIS A 24 -3.078 8.988 3.010 1.00 0.00 C ATOM 397 CE1 HIS A 24 -3.089 8.475 5.141 1.00 0.00 C ATOM 398 NE2 HIS A 24 -2.312 8.597 4.080 1.00 0.00 N ATOM 0 H HIS A 24 -7.741 9.641 1.499 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.151 8.783 0.754 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.522 10.530 2.405 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.446 9.444 3.423 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.728 9.170 2.005 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.767 8.181 6.129 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -1.306 8.428 4.059 1.00 0.00 H new ATOM 406 N ALA A 25 -6.967 6.675 2.521 1.00 0.00 N ATOM 407 CA ALA A 25 -7.064 5.286 2.953 1.00 0.00 C ATOM 408 C ALA A 25 -7.029 4.336 1.761 1.00 0.00 C ATOM 409 O ALA A 25 -6.241 3.392 1.731 1.00 0.00 O ATOM 410 CB ALA A 25 -8.333 5.073 3.764 1.00 0.00 C ATOM 0 H ALA A 25 -7.793 7.238 2.723 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.202 5.067 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.392 4.031 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.316 5.718 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.201 5.316 3.152 1.00 0.00 H new ATOM 416 N ILE A 26 -7.888 4.595 0.780 1.00 0.00 N ATOM 417 CA ILE A 26 -7.955 3.762 -0.414 1.00 0.00 C ATOM 418 C ILE A 26 -6.654 3.833 -1.207 1.00 0.00 C ATOM 419 O ILE A 26 -6.250 2.859 -1.842 1.00 0.00 O ATOM 420 CB ILE A 26 -9.122 4.182 -1.328 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.888 5.590 -1.878 1.00 0.00 C ATOM 422 CG2 ILE A 26 -10.439 4.116 -0.569 1.00 0.00 C ATOM 423 CD1 ILE A 26 -10.004 6.084 -2.770 1.00 0.00 C ATOM 0 H ILE A 26 -8.546 5.374 0.789 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.118 2.738 -0.076 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.173 3.489 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.767 6.281 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.954 5.601 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.254 4.416 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.609 3.097 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.399 4.789 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.770 7.088 -3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.111 5.415 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.937 6.106 -2.207 1.00 0.00 H new ATOM 435 N GLU A 27 -6.001 4.989 -1.162 1.00 0.00 N ATOM 436 CA GLU A 27 -4.745 5.186 -1.876 1.00 0.00 C ATOM 437 C GLU A 27 -3.646 4.300 -1.294 1.00 0.00 C ATOM 438 O GLU A 27 -2.992 3.547 -2.017 1.00 0.00 O ATOM 439 CB GLU A 27 -4.319 6.653 -1.811 1.00 0.00 C ATOM 440 CG GLU A 27 -3.042 6.952 -2.579 1.00 0.00 C ATOM 441 CD GLU A 27 -2.933 8.409 -2.985 1.00 0.00 C ATOM 442 OE1 GLU A 27 -3.642 8.816 -3.929 1.00 0.00 O ATOM 443 OE2 GLU A 27 -2.138 9.142 -2.360 1.00 0.00 O ATOM 0 H GLU A 27 -6.321 5.804 -0.638 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.901 4.907 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.124 7.274 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.180 6.936 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.182 6.685 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.004 6.326 -3.471 1.00 0.00 H new ATOM 450 N LYS A 28 -3.447 4.397 0.016 1.00 0.00 N ATOM 451 CA LYS A 28 -2.429 3.606 0.696 1.00 0.00 C ATOM 452 C LYS A 28 -2.706 2.114 0.541 1.00 0.00 C ATOM 453 O LYS A 28 -1.793 1.326 0.296 1.00 0.00 O ATOM 454 CB LYS A 28 -2.375 3.975 2.181 1.00 0.00 C ATOM 455 CG LYS A 28 -1.010 3.762 2.811 1.00 0.00 C ATOM 456 CD LYS A 28 -0.741 2.291 3.080 1.00 0.00 C ATOM 457 CE LYS A 28 0.327 2.106 4.148 1.00 0.00 C ATOM 458 NZ LYS A 28 0.233 0.770 4.800 1.00 0.00 N ATOM 0 H LYS A 28 -3.978 5.016 0.628 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.465 3.828 0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.661 5.020 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.112 3.381 2.721 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.238 4.159 2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.949 4.320 3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.663 1.804 3.397 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.424 1.803 2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.313 2.223 3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.226 2.886 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.977 0.683 5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.699 0.668 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.355 0.025 4.085 1.00 0.00 H new ATOM 472 N GLY A 29 -3.971 1.733 0.685 1.00 0.00 N ATOM 473 CA GLY A 29 -4.345 0.337 0.557 1.00 0.00 C ATOM 474 C GLY A 29 -4.151 -0.188 -0.852 1.00 0.00 C ATOM 475 O GLY A 29 -3.779 -1.345 -1.044 1.00 0.00 O ATOM 0 H GLY A 29 -4.744 2.367 0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.751 -0.260 1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.389 0.216 0.846 1.00 0.00 H new ATOM 479 N GLU A 30 -4.406 0.665 -1.840 1.00 0.00 N ATOM 480 CA GLU A 30 -4.260 0.278 -3.239 1.00 0.00 C ATOM 481 C GLU A 30 -2.790 0.083 -3.598 1.00 0.00 C ATOM 482 O GLU A 30 -2.434 -0.853 -4.316 1.00 0.00 O ATOM 483 CB GLU A 30 -4.883 1.338 -4.151 1.00 0.00 C ATOM 484 CG GLU A 30 -5.112 0.857 -5.574 1.00 0.00 C ATOM 485 CD GLU A 30 -5.506 1.980 -6.512 1.00 0.00 C ATOM 486 OE1 GLU A 30 -4.895 3.065 -6.428 1.00 0.00 O ATOM 487 OE2 GLU A 30 -6.426 1.774 -7.331 1.00 0.00 O ATOM 0 H GLU A 30 -4.714 1.627 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.781 -0.668 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.835 1.657 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.234 2.214 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.203 0.382 -5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.893 0.096 -5.575 1.00 0.00 H new ATOM 494 N HIS A 31 -1.941 0.972 -3.095 1.00 0.00 N ATOM 495 CA HIS A 31 -0.509 0.898 -3.363 1.00 0.00 C ATOM 496 C HIS A 31 0.103 -0.336 -2.708 1.00 0.00 C ATOM 497 O HIS A 31 0.768 -1.136 -3.368 1.00 0.00 O ATOM 498 CB HIS A 31 0.193 2.159 -2.856 1.00 0.00 C ATOM 499 CG HIS A 31 1.686 2.092 -2.949 1.00 0.00 C ATOM 500 ND1 HIS A 31 2.510 2.086 -1.843 1.00 0.00 N ATOM 501 CD2 HIS A 31 2.504 2.026 -4.026 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.770 2.021 -2.235 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.794 1.984 -3.555 1.00 0.00 N ATOM 0 H HIS A 31 -2.219 1.752 -2.500 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.370 0.823 -4.442 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.160 3.017 -3.429 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -0.091 2.330 -1.818 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.199 2.009 -5.062 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.633 2.001 -1.586 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.634 1.933 -4.131 1.00 0.00 H new ATOM 511 N GLN A 32 -0.125 -0.485 -1.407 1.00 0.00 N ATOM 512 CA GLN A 32 0.405 -1.622 -0.663 1.00 0.00 C ATOM 513 C GLN A 32 -0.127 -2.936 -1.226 1.00 0.00 C ATOM 514 O GLN A 32 0.601 -3.927 -1.312 1.00 0.00 O ATOM 515 CB GLN A 32 0.044 -1.503 0.818 1.00 0.00 C ATOM 516 CG GLN A 32 -1.453 -1.459 1.077 1.00 0.00 C ATOM 517 CD GLN A 32 -2.054 -2.838 1.267 1.00 0.00 C ATOM 518 OE1 GLN A 32 -1.468 -3.621 2.164 1.00 0.00 O flip ATOM 519 NE2 GLN A 32 -3.034 -3.196 0.613 1.00 0.00 N flip ATOM 0 H GLN A 32 -0.673 0.167 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 32 1.490 -1.617 -0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.473 -2.348 1.357 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.501 -0.601 1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.647 -0.857 1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.948 -0.963 0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.453 -2.561 -0.067 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.427 -4.127 0.751 1.00 0.00 H new ATOM 528 N LEU A 33 -1.400 -2.938 -1.607 1.00 0.00 N ATOM 529 CA LEU A 33 -2.030 -4.131 -2.160 1.00 0.00 C ATOM 530 C LEU A 33 -1.370 -4.536 -3.474 1.00 0.00 C ATOM 531 O LEU A 33 -0.968 -5.686 -3.651 1.00 0.00 O ATOM 532 CB LEU A 33 -3.524 -3.886 -2.380 1.00 0.00 C ATOM 533 CG LEU A 33 -4.292 -5.008 -3.083 1.00 0.00 C ATOM 534 CD1 LEU A 33 -4.188 -4.860 -4.593 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.772 -6.368 -2.641 1.00 0.00 C ATOM 0 H LEU A 33 -2.015 -2.127 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.902 -4.944 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.989 -3.706 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.640 -2.973 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.343 -4.935 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.740 -5.666 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.609 -3.901 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.141 -4.907 -4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.329 -7.154 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.715 -6.452 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.899 -6.474 -1.564 1.00 0.00 H new ATOM 547 N LEU A 34 -1.260 -3.582 -4.393 1.00 0.00 N ATOM 548 CA LEU A 34 -0.646 -3.838 -5.691 1.00 0.00 C ATOM 549 C LEU A 34 0.769 -4.381 -5.528 1.00 0.00 C ATOM 550 O LEU A 34 1.156 -5.345 -6.189 1.00 0.00 O ATOM 551 CB LEU A 34 -0.620 -2.557 -6.526 1.00 0.00 C ATOM 552 CG LEU A 34 -1.960 -2.108 -7.109 1.00 0.00 C ATOM 553 CD1 LEU A 34 -1.818 -0.757 -7.794 1.00 0.00 C ATOM 554 CD2 LEU A 34 -2.493 -3.148 -8.084 1.00 0.00 C ATOM 0 H LEU A 34 -1.588 -2.625 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.245 -4.589 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.228 -1.751 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.082 -2.697 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.674 -2.005 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.782 -0.453 -8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.481 -0.015 -7.070 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.089 -0.833 -8.601 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.447 -2.812 -8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.781 -3.283 -8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.633 -4.096 -7.564 1.00 0.00 H new ATOM 566 N TYR A 35 1.537 -3.758 -4.640 1.00 0.00 N ATOM 567 CA TYR A 35 2.910 -4.179 -4.389 1.00 0.00 C ATOM 568 C TYR A 35 2.946 -5.549 -3.719 1.00 0.00 C ATOM 569 O TYR A 35 3.751 -6.410 -4.080 1.00 0.00 O ATOM 570 CB TYR A 35 3.628 -3.152 -3.511 1.00 0.00 C ATOM 571 CG TYR A 35 4.945 -3.644 -2.956 1.00 0.00 C ATOM 572 CD1 TYR A 35 4.997 -4.335 -1.751 1.00 0.00 C ATOM 573 CD2 TYR A 35 6.136 -3.419 -3.634 1.00 0.00 C ATOM 574 CE1 TYR A 35 6.198 -4.787 -1.239 1.00 0.00 C ATOM 575 CE2 TYR A 35 7.342 -3.868 -3.131 1.00 0.00 C ATOM 576 CZ TYR A 35 7.367 -4.551 -1.933 1.00 0.00 C ATOM 577 OH TYR A 35 8.567 -4.999 -1.427 1.00 0.00 O ATOM 0 H TYR A 35 1.232 -2.960 -4.083 1.00 0.00 H new ATOM 0 HA TYR A 35 3.422 -4.250 -5.349 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.804 -2.248 -4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.975 -2.875 -2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.083 -4.522 -1.206 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.119 -2.883 -4.572 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.222 -5.322 -0.301 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.259 -3.685 -3.672 1.00 0.00 H new ATOM 0 HH TYR A 35 9.292 -4.752 -2.038 1.00 0.00 H new ATOM 587 N LEU A 36 2.069 -5.746 -2.741 1.00 0.00 N ATOM 588 CA LEU A 36 1.998 -7.011 -2.019 1.00 0.00 C ATOM 589 C LEU A 36 1.623 -8.153 -2.958 1.00 0.00 C ATOM 590 O LEU A 36 2.023 -9.299 -2.748 1.00 0.00 O ATOM 591 CB LEU A 36 0.980 -6.916 -0.882 1.00 0.00 C ATOM 592 CG LEU A 36 1.460 -6.222 0.393 1.00 0.00 C ATOM 593 CD1 LEU A 36 0.311 -6.051 1.374 1.00 0.00 C ATOM 594 CD2 LEU A 36 2.597 -7.007 1.033 1.00 0.00 C ATOM 0 H LEU A 36 1.397 -5.045 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 36 2.983 -7.217 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.102 -6.387 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.659 -7.925 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 36 1.833 -5.233 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.673 -5.555 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.471 -5.446 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.093 -7.029 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.926 -6.498 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.250 -8.009 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.430 -7.077 0.333 1.00 0.00 H new ATOM 606 N GLN A 37 0.856 -7.832 -3.994 1.00 0.00 N ATOM 607 CA GLN A 37 0.428 -8.833 -4.967 1.00 0.00 C ATOM 608 C GLN A 37 1.622 -9.622 -5.495 1.00 0.00 C ATOM 609 O GLN A 37 1.516 -10.819 -5.765 1.00 0.00 O ATOM 610 CB GLN A 37 -0.310 -8.163 -6.128 1.00 0.00 C ATOM 611 CG GLN A 37 -1.467 -8.987 -6.668 1.00 0.00 C ATOM 612 CD GLN A 37 -2.463 -9.371 -5.591 1.00 0.00 C ATOM 613 OE1 GLN A 37 -3.224 -8.394 -5.112 1.00 0.00 O flip ATOM 614 NE2 GLN A 37 -2.548 -10.533 -5.194 1.00 0.00 N flip ATOM 0 H GLN A 37 0.518 -6.888 -4.182 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.249 -9.525 -4.467 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.687 -7.195 -5.798 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.397 -7.972 -6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.979 -8.421 -7.446 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.077 -9.891 -7.136 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.943 -11.253 -5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.223 -10.776 -4.469 1.00 0.00 H new ATOM 623 N HIS A 38 2.756 -8.945 -5.641 1.00 0.00 N ATOM 624 CA HIS A 38 3.969 -9.583 -6.138 1.00 0.00 C ATOM 625 C HIS A 38 4.465 -10.644 -5.159 1.00 0.00 C ATOM 626 O HIS A 38 4.660 -11.801 -5.530 1.00 0.00 O ATOM 627 CB HIS A 38 5.062 -8.539 -6.371 1.00 0.00 C ATOM 628 CG HIS A 38 5.053 -7.963 -7.754 1.00 0.00 C ATOM 629 ND1 HIS A 38 3.940 -7.374 -8.317 1.00 0.00 N ATOM 630 CD2 HIS A 38 6.030 -7.885 -8.687 1.00 0.00 C ATOM 631 CE1 HIS A 38 4.233 -6.960 -9.537 1.00 0.00 C ATOM 632 NE2 HIS A 38 5.496 -7.259 -9.785 1.00 0.00 N ATOM 0 H HIS A 38 2.860 -7.954 -5.422 1.00 0.00 H new ATOM 0 HA HIS A 38 3.732 -10.068 -7.085 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.942 -7.731 -5.649 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.034 -8.994 -6.182 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.042 -8.248 -8.586 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.556 -6.462 -10.216 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.993 -7.057 -10.652 1.00 0.00 H new ATOM 640 N GLN A 39 4.665 -10.241 -3.909 1.00 0.00 N ATOM 641 CA GLN A 39 5.138 -11.157 -2.878 1.00 0.00 C ATOM 642 C GLN A 39 4.237 -12.384 -2.784 1.00 0.00 C ATOM 643 O GLN A 39 4.717 -13.511 -2.654 1.00 0.00 O ATOM 644 CB GLN A 39 5.197 -10.448 -1.523 1.00 0.00 C ATOM 645 CG GLN A 39 6.250 -9.354 -1.453 1.00 0.00 C ATOM 646 CD GLN A 39 7.626 -9.890 -1.107 1.00 0.00 C ATOM 647 OE1 GLN A 39 7.957 -9.884 0.179 1.00 0.00 O flip ATOM 648 NE2 GLN A 39 8.382 -10.304 -1.985 1.00 0.00 N flip ATOM 0 H GLN A 39 4.507 -9.287 -3.585 1.00 0.00 H new ATOM 0 HA GLN A 39 6.141 -11.485 -3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.220 -10.015 -1.306 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.399 -11.185 -0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.296 -8.837 -2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.953 -8.616 -0.707 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.086 -10.290 -2.961 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.305 -10.661 -1.737 1.00 0.00 H new ATOM 657 N LEU A 40 2.931 -12.158 -2.852 1.00 0.00 N ATOM 658 CA LEU A 40 1.961 -13.246 -2.774 1.00 0.00 C ATOM 659 C LEU A 40 2.099 -14.184 -3.969 1.00 0.00 C ATOM 660 O LEU A 40 2.113 -15.405 -3.814 1.00 0.00 O ATOM 661 CB LEU A 40 0.539 -12.684 -2.714 1.00 0.00 C ATOM 662 CG LEU A 40 -0.584 -13.715 -2.590 1.00 0.00 C ATOM 663 CD1 LEU A 40 -0.945 -14.276 -3.956 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.180 -14.833 -1.641 1.00 0.00 C ATOM 0 H LEU A 40 2.518 -11.232 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 40 2.160 -13.813 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.475 -12.002 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.365 -12.093 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.464 -13.219 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.746 -15.008 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.278 -13.466 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.070 -14.757 -4.395 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.991 -15.557 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.714 -15.328 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.028 -14.416 -0.655 1.00 0.00 H new ATOM 676 N ASP A 41 2.202 -13.605 -5.160 1.00 0.00 N ATOM 677 CA ASP A 41 2.343 -14.390 -6.382 1.00 0.00 C ATOM 678 C ASP A 41 3.528 -15.346 -6.280 1.00 0.00 C ATOM 679 O ASP A 41 3.399 -16.538 -6.556 1.00 0.00 O ATOM 680 CB ASP A 41 2.519 -13.467 -7.588 1.00 0.00 C ATOM 681 CG ASP A 41 2.442 -14.214 -8.905 1.00 0.00 C ATOM 682 OD1 ASP A 41 1.476 -14.981 -9.097 1.00 0.00 O ATOM 683 OD2 ASP A 41 3.350 -14.031 -9.744 1.00 0.00 O ATOM 0 H ASP A 41 2.191 -12.596 -5.306 1.00 0.00 H new ATOM 0 HA ASP A 41 1.435 -14.978 -6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.750 -12.695 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.481 -12.960 -7.517 1.00 0.00 H new ATOM 688 N GLU A 42 4.679 -14.813 -5.884 1.00 0.00 N ATOM 689 CA GLU A 42 5.886 -15.620 -5.748 1.00 0.00 C ATOM 690 C GLU A 42 5.775 -16.571 -4.560 1.00 0.00 C ATOM 691 O GLU A 42 6.268 -17.698 -4.603 1.00 0.00 O ATOM 692 CB GLU A 42 7.112 -14.719 -5.581 1.00 0.00 C ATOM 693 CG GLU A 42 7.052 -13.830 -4.352 1.00 0.00 C ATOM 694 CD GLU A 42 8.301 -12.987 -4.178 1.00 0.00 C ATOM 695 OE1 GLU A 42 9.350 -13.554 -3.806 1.00 0.00 O ATOM 696 OE2 GLU A 42 8.229 -11.764 -4.414 1.00 0.00 O ATOM 0 H GLU A 42 4.801 -13.827 -5.652 1.00 0.00 H new ATOM 0 HA GLU A 42 6.000 -16.213 -6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.005 -15.342 -5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.215 -14.093 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.184 -13.175 -4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.911 -14.450 -3.467 1.00 0.00 H new ATOM 703 N LEU A 43 5.123 -16.107 -3.499 1.00 0.00 N ATOM 704 CA LEU A 43 4.946 -16.915 -2.297 1.00 0.00 C ATOM 705 C LEU A 43 4.084 -18.140 -2.586 1.00 0.00 C ATOM 706 O LEU A 43 4.237 -19.183 -1.950 1.00 0.00 O ATOM 707 CB LEU A 43 4.307 -16.080 -1.186 1.00 0.00 C ATOM 708 CG LEU A 43 3.560 -16.859 -0.104 1.00 0.00 C ATOM 709 CD1 LEU A 43 3.757 -16.208 1.256 1.00 0.00 C ATOM 710 CD2 LEU A 43 2.079 -16.955 -0.442 1.00 0.00 C ATOM 0 H LEU A 43 4.709 -15.176 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 43 5.929 -17.253 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.089 -15.491 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.612 -15.375 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 43 3.969 -17.868 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.218 -16.777 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.819 -16.193 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.376 -15.187 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.563 -17.513 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.656 -15.953 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.956 -17.468 -1.396 1.00 0.00 H new ATOM 722 N ASN A 44 3.180 -18.007 -3.551 1.00 0.00 N ATOM 723 CA ASN A 44 2.295 -19.104 -3.926 1.00 0.00 C ATOM 724 C ASN A 44 3.098 -20.331 -4.349 1.00 0.00 C ATOM 725 O ASN A 44 2.885 -21.430 -3.839 1.00 0.00 O ATOM 726 CB ASN A 44 1.366 -18.672 -5.063 1.00 0.00 C ATOM 727 CG ASN A 44 0.269 -17.739 -4.590 1.00 0.00 C ATOM 728 OD1 ASN A 44 0.210 -17.378 -3.413 1.00 0.00 O ATOM 729 ND2 ASN A 44 -0.607 -17.343 -5.505 1.00 0.00 N ATOM 0 H ASN A 44 3.041 -17.151 -4.087 1.00 0.00 H new ATOM 0 HA ASN A 44 1.695 -19.367 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.951 -18.177 -5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.917 -19.555 -5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.367 -16.715 -5.245 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.520 -17.667 -6.468 1.00 0.00 H new ATOM 736 N GLU A 45 4.023 -20.133 -5.283 1.00 0.00 N ATOM 737 CA GLU A 45 4.857 -21.223 -5.775 1.00 0.00 C ATOM 738 C GLU A 45 6.044 -21.461 -4.846 1.00 0.00 C ATOM 739 O GLU A 45 6.334 -22.596 -4.469 1.00 0.00 O ATOM 740 CB GLU A 45 5.355 -20.917 -7.189 1.00 0.00 C ATOM 741 CG GLU A 45 4.241 -20.794 -8.214 1.00 0.00 C ATOM 742 CD GLU A 45 3.772 -22.140 -8.729 1.00 0.00 C ATOM 743 OE1 GLU A 45 4.303 -23.172 -8.268 1.00 0.00 O ATOM 744 OE2 GLU A 45 2.872 -22.163 -9.595 1.00 0.00 O ATOM 0 H GLU A 45 4.214 -19.228 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 45 4.250 -22.128 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.925 -19.988 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.040 -21.705 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.398 -20.266 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.588 -20.189 -9.052 1.00 0.00 H new ATOM 751 N ASN A 46 6.727 -20.381 -4.480 1.00 0.00 N ATOM 752 CA ASN A 46 7.884 -20.471 -3.596 1.00 0.00 C ATOM 753 C ASN A 46 7.507 -21.136 -2.275 1.00 0.00 C ATOM 754 O ASN A 46 8.338 -21.779 -1.633 1.00 0.00 O ATOM 755 CB ASN A 46 8.461 -19.079 -3.333 1.00 0.00 C ATOM 756 CG ASN A 46 8.973 -18.418 -4.598 1.00 0.00 C ATOM 757 OD1 ASN A 46 8.946 -19.010 -5.677 1.00 0.00 O ATOM 758 ND2 ASN A 46 9.445 -17.183 -4.470 1.00 0.00 N ATOM 0 H ASN A 46 6.499 -19.434 -4.782 1.00 0.00 H new ATOM 0 HA ASN A 46 8.640 -21.082 -4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.694 -18.450 -2.882 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.274 -19.156 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.804 -16.687 -5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.448 -16.730 -3.556 1.00 0.00 H new ATOM 765 N LYS A 47 6.251 -20.977 -1.876 1.00 0.00 N ATOM 766 CA LYS A 47 5.762 -21.563 -0.634 1.00 0.00 C ATOM 767 C LYS A 47 6.686 -21.217 0.531 1.00 0.00 C ATOM 768 O LYS A 47 6.998 -22.071 1.362 1.00 0.00 O ATOM 769 CB LYS A 47 5.646 -23.083 -0.772 1.00 0.00 C ATOM 770 CG LYS A 47 4.730 -23.522 -1.900 1.00 0.00 C ATOM 771 CD LYS A 47 3.274 -23.529 -1.465 1.00 0.00 C ATOM 772 CE LYS A 47 2.429 -24.425 -2.359 1.00 0.00 C ATOM 773 NZ LYS A 47 2.891 -25.840 -2.320 1.00 0.00 N ATOM 0 H LYS A 47 5.552 -20.446 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 47 4.775 -21.147 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.639 -23.501 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.278 -23.498 0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.853 -22.853 -2.751 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.016 -24.519 -2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.203 -23.872 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.881 -22.513 -1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.387 -24.374 -2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.470 -24.058 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.089 -26.473 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.629 -25.984 -3.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.278 -26.053 -1.379 1.00 0.00 H new ATOM 787 N SER A 48 7.118 -19.962 0.584 1.00 0.00 N ATOM 788 CA SER A 48 8.008 -19.504 1.645 1.00 0.00 C ATOM 789 C SER A 48 7.245 -19.329 2.955 1.00 0.00 C ATOM 790 O SER A 48 6.353 -18.486 3.059 1.00 0.00 O ATOM 791 CB SER A 48 8.674 -18.186 1.248 1.00 0.00 C ATOM 792 OG SER A 48 8.022 -17.600 0.135 1.00 0.00 O ATOM 0 H SER A 48 6.867 -19.244 -0.095 1.00 0.00 H new ATOM 0 HA SER A 48 8.779 -20.261 1.792 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.652 -17.496 2.091 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.722 -18.363 1.008 1.00 0.00 H new ATOM 0 HG SER A 48 8.669 -17.080 -0.387 1.00 0.00 H new ATOM 798 N LYS A 49 7.604 -20.129 3.953 1.00 0.00 N ATOM 799 CA LYS A 49 6.956 -20.063 5.258 1.00 0.00 C ATOM 800 C LYS A 49 7.118 -18.678 5.876 1.00 0.00 C ATOM 801 O LYS A 49 6.147 -18.077 6.334 1.00 0.00 O ATOM 802 CB LYS A 49 7.541 -21.122 6.194 1.00 0.00 C ATOM 803 CG LYS A 49 9.058 -21.100 6.267 1.00 0.00 C ATOM 804 CD LYS A 49 9.635 -22.504 6.333 1.00 0.00 C ATOM 805 CE LYS A 49 10.911 -22.621 5.515 1.00 0.00 C ATOM 806 NZ LYS A 49 10.803 -23.674 4.468 1.00 0.00 N ATOM 0 H LYS A 49 8.341 -20.831 3.883 1.00 0.00 H new ATOM 0 HA LYS A 49 5.893 -20.257 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.136 -20.974 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.216 -22.108 5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.457 -20.582 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.373 -20.535 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.842 -22.765 7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.899 -23.219 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.130 -21.662 5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.747 -22.850 6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.693 -23.723 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.619 -24.593 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.022 -23.442 3.822 1.00 0.00 H new ATOM 820 N GLU A 50 8.349 -18.178 5.883 1.00 0.00 N ATOM 821 CA GLU A 50 8.636 -16.863 6.445 1.00 0.00 C ATOM 822 C GLU A 50 7.884 -15.773 5.687 1.00 0.00 C ATOM 823 O GLU A 50 7.291 -14.878 6.291 1.00 0.00 O ATOM 824 CB GLU A 50 10.140 -16.583 6.403 1.00 0.00 C ATOM 825 CG GLU A 50 10.943 -17.423 7.383 1.00 0.00 C ATOM 826 CD GLU A 50 10.369 -17.388 8.787 1.00 0.00 C ATOM 827 OE1 GLU A 50 10.535 -16.354 9.469 1.00 0.00 O ATOM 828 OE2 GLU A 50 9.756 -18.393 9.203 1.00 0.00 O ATOM 0 H GLU A 50 9.163 -18.663 5.506 1.00 0.00 H new ATOM 0 HA GLU A 50 8.302 -16.858 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.507 -16.767 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.311 -15.528 6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.973 -18.455 7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.972 -17.064 7.406 1.00 0.00 H new ATOM 835 N LEU A 51 7.913 -15.853 4.361 1.00 0.00 N ATOM 836 CA LEU A 51 7.235 -14.873 3.520 1.00 0.00 C ATOM 837 C LEU A 51 5.741 -14.834 3.825 1.00 0.00 C ATOM 838 O LEU A 51 5.120 -13.772 3.795 1.00 0.00 O ATOM 839 CB LEU A 51 7.457 -15.200 2.042 1.00 0.00 C ATOM 840 CG LEU A 51 6.879 -14.200 1.040 1.00 0.00 C ATOM 841 CD1 LEU A 51 7.193 -12.775 1.467 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.421 -14.472 -0.356 1.00 0.00 C ATOM 0 H LEU A 51 8.399 -16.587 3.845 1.00 0.00 H new ATOM 0 HA LEU A 51 7.657 -13.891 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.530 -15.282 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.025 -16.180 1.838 1.00 0.00 H new ATOM 0 HG LEU A 51 5.796 -14.320 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.774 -12.077 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.757 -12.585 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.273 -12.640 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.999 -13.751 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.507 -14.379 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.145 -15.481 -0.663 1.00 0.00 H new ATOM 854 N GLN A 52 5.172 -15.998 4.121 1.00 0.00 N ATOM 855 CA GLN A 52 3.751 -16.096 4.434 1.00 0.00 C ATOM 856 C GLN A 52 3.444 -15.444 5.779 1.00 0.00 C ATOM 857 O GLN A 52 2.505 -14.658 5.897 1.00 0.00 O ATOM 858 CB GLN A 52 3.312 -17.560 4.451 1.00 0.00 C ATOM 859 CG GLN A 52 1.901 -17.766 4.981 1.00 0.00 C ATOM 860 CD GLN A 52 1.882 -18.242 6.420 1.00 0.00 C ATOM 861 OE1 GLN A 52 1.224 -17.647 7.274 1.00 0.00 O ATOM 862 NE2 GLN A 52 2.605 -19.321 6.696 1.00 0.00 N ATOM 0 H GLN A 52 5.673 -16.886 4.151 1.00 0.00 H new ATOM 0 HA GLN A 52 3.196 -15.567 3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.373 -17.961 3.439 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.009 -18.133 5.064 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.348 -16.830 4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.384 -18.493 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.135 -19.782 5.957 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.630 -19.688 7.647 1.00 0.00 H new ATOM 871 N GLU A 53 4.242 -15.778 6.788 1.00 0.00 N ATOM 872 CA GLU A 53 4.053 -15.225 8.125 1.00 0.00 C ATOM 873 C GLU A 53 4.202 -13.707 8.111 1.00 0.00 C ATOM 874 O GLU A 53 3.544 -12.999 8.875 1.00 0.00 O ATOM 875 CB GLU A 53 5.058 -15.839 9.101 1.00 0.00 C ATOM 876 CG GLU A 53 4.631 -17.192 9.643 1.00 0.00 C ATOM 877 CD GLU A 53 5.695 -17.836 10.511 1.00 0.00 C ATOM 878 OE1 GLU A 53 6.861 -17.393 10.445 1.00 0.00 O ATOM 879 OE2 GLU A 53 5.362 -18.782 11.256 1.00 0.00 O ATOM 0 H GLU A 53 5.024 -16.427 6.706 1.00 0.00 H new ATOM 0 HA GLU A 53 3.043 -15.470 8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.020 -15.945 8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.207 -15.153 9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.716 -17.074 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.397 -17.855 8.810 1.00 0.00 H new ATOM 886 N LYS A 54 5.074 -13.211 7.239 1.00 0.00 N ATOM 887 CA LYS A 54 5.310 -11.777 7.124 1.00 0.00 C ATOM 888 C LYS A 54 4.181 -11.099 6.356 1.00 0.00 C ATOM 889 O LYS A 54 3.656 -10.071 6.787 1.00 0.00 O ATOM 890 CB LYS A 54 6.646 -11.515 6.425 1.00 0.00 C ATOM 891 CG LYS A 54 7.855 -11.936 7.242 1.00 0.00 C ATOM 892 CD LYS A 54 8.230 -10.881 8.268 1.00 0.00 C ATOM 893 CE LYS A 54 9.000 -9.734 7.632 1.00 0.00 C ATOM 894 NZ LYS A 54 10.448 -10.054 7.485 1.00 0.00 N ATOM 0 H LYS A 54 5.629 -13.782 6.601 1.00 0.00 H new ATOM 0 HA LYS A 54 5.344 -11.358 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.659 -12.047 5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.725 -10.452 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.643 -12.878 7.748 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.700 -12.115 6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.327 -10.496 8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.834 -11.335 9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.576 -9.510 6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.886 -8.837 8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.939 -9.248 7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.859 -10.243 8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.558 -10.895 6.883 1.00 0.00 H new ATOM 908 N ILE A 55 3.811 -11.679 5.220 1.00 0.00 N ATOM 909 CA ILE A 55 2.741 -11.131 4.395 1.00 0.00 C ATOM 910 C ILE A 55 1.408 -11.160 5.134 1.00 0.00 C ATOM 911 O ILE A 55 0.672 -10.173 5.146 1.00 0.00 O ATOM 912 CB ILE A 55 2.600 -11.904 3.071 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.783 -11.600 2.149 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.286 -11.552 2.390 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.760 -12.389 0.858 1.00 0.00 C ATOM 0 H ILE A 55 4.236 -12.529 4.849 1.00 0.00 H new ATOM 0 HA ILE A 55 3.009 -10.097 4.175 1.00 0.00 H new ATOM 0 HB ILE A 55 2.599 -12.972 3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.787 -10.535 1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.711 -11.813 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.201 -12.106 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.455 -11.815 3.045 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.259 -10.482 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.627 -12.123 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.787 -13.455 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.849 -12.158 0.306 1.00 0.00 H new ATOM 927 N ILE A 56 1.104 -12.298 5.749 1.00 0.00 N ATOM 928 CA ILE A 56 -0.140 -12.455 6.493 1.00 0.00 C ATOM 929 C ILE A 56 -0.223 -11.457 7.643 1.00 0.00 C ATOM 930 O ILE A 56 -1.305 -10.987 7.993 1.00 0.00 O ATOM 931 CB ILE A 56 -0.285 -13.882 7.054 1.00 0.00 C ATOM 932 CG1 ILE A 56 -1.697 -14.097 7.602 1.00 0.00 C ATOM 933 CG2 ILE A 56 0.754 -14.132 8.137 1.00 0.00 C ATOM 934 CD1 ILE A 56 -2.089 -15.554 7.705 1.00 0.00 C ATOM 0 H ILE A 56 1.702 -13.125 5.747 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.953 -12.265 5.792 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.118 -14.594 6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.769 -13.639 8.589 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.410 -13.582 6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.639 -15.144 8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.753 -14.015 7.717 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.615 -13.416 8.947 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.102 -15.631 8.101 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.050 -16.012 6.717 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.399 -16.070 8.372 1.00 0.00 H new ATOM 946 N ARG A 57 0.928 -11.138 8.225 1.00 0.00 N ATOM 947 CA ARG A 57 0.987 -10.196 9.336 1.00 0.00 C ATOM 948 C ARG A 57 0.708 -8.773 8.858 1.00 0.00 C ATOM 949 O ARG A 57 -0.177 -8.096 9.379 1.00 0.00 O ATOM 950 CB ARG A 57 2.356 -10.258 10.015 1.00 0.00 C ATOM 951 CG ARG A 57 2.333 -10.936 11.374 1.00 0.00 C ATOM 952 CD ARG A 57 1.776 -12.348 11.282 1.00 0.00 C ATOM 953 NE ARG A 57 2.595 -13.309 12.016 1.00 0.00 N ATOM 954 CZ ARG A 57 2.627 -13.387 13.342 1.00 0.00 C ATOM 955 NH1 ARG A 57 1.887 -12.565 14.075 1.00 0.00 N ATOM 956 NH2 ARG A 57 3.397 -14.288 13.937 1.00 0.00 N ATOM 0 H ARG A 57 1.832 -11.518 7.946 1.00 0.00 H new ATOM 0 HA ARG A 57 0.219 -10.476 10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.050 -10.790 9.365 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.741 -9.245 10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.343 -10.968 11.783 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.728 -10.349 12.065 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.760 -12.363 11.675 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.717 -12.647 10.235 1.00 0.00 H new ATOM 0 HE ARG A 57 3.174 -13.956 11.481 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.292 -11.872 13.621 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.913 -12.626 15.093 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.966 -14.923 13.377 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.420 -14.346 14.955 1.00 0.00 H new ATOM 970 N GLU A 58 1.471 -8.329 7.864 1.00 0.00 N ATOM 971 CA GLU A 58 1.306 -6.987 7.317 1.00 0.00 C ATOM 972 C GLU A 58 -0.061 -6.832 6.658 1.00 0.00 C ATOM 973 O GLU A 58 -0.704 -5.789 6.774 1.00 0.00 O ATOM 974 CB GLU A 58 2.412 -6.687 6.303 1.00 0.00 C ATOM 975 CG GLU A 58 2.755 -5.210 6.195 1.00 0.00 C ATOM 976 CD GLU A 58 3.277 -4.831 4.823 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.502 -4.937 4.604 1.00 0.00 O ATOM 978 OE2 GLU A 58 2.460 -4.428 3.970 1.00 0.00 O ATOM 0 H GLU A 58 2.208 -8.878 7.422 1.00 0.00 H new ATOM 0 HA GLU A 58 1.375 -6.275 8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.309 -7.240 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.104 -7.052 5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.868 -4.618 6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.504 -4.959 6.946 1.00 0.00 H new ATOM 985 N LEU A 59 -0.498 -7.878 5.964 1.00 0.00 N ATOM 986 CA LEU A 59 -1.789 -7.859 5.284 1.00 0.00 C ATOM 987 C LEU A 59 -2.934 -7.838 6.291 1.00 0.00 C ATOM 988 O LEU A 59 -3.948 -7.173 6.080 1.00 0.00 O ATOM 989 CB LEU A 59 -1.922 -9.076 4.368 1.00 0.00 C ATOM 990 CG LEU A 59 -3.105 -9.060 3.399 1.00 0.00 C ATOM 991 CD1 LEU A 59 -2.936 -7.955 2.368 1.00 0.00 C ATOM 992 CD2 LEU A 59 -3.252 -10.412 2.715 1.00 0.00 C ATOM 0 H LEU A 59 0.022 -8.749 5.858 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.842 -6.952 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.004 -9.171 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.000 -9.967 4.990 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.013 -8.862 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.787 -7.959 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.880 -6.991 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.019 -8.122 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.099 -10.383 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.342 -10.639 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.420 -11.183 3.466 1.00 0.00 H new ATOM 1004 N ASP A 60 -2.765 -8.570 7.387 1.00 0.00 N ATOM 1005 CA ASP A 60 -3.783 -8.632 8.430 1.00 0.00 C ATOM 1006 C ASP A 60 -3.978 -7.268 9.082 1.00 0.00 C ATOM 1007 O ASP A 60 -5.097 -6.760 9.160 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.397 -9.667 9.488 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.391 -9.725 10.630 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.563 -10.079 10.379 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -3.999 -9.417 11.776 1.00 0.00 O ATOM 0 H ASP A 60 -1.933 -9.129 7.576 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.724 -8.930 7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.326 -10.650 9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.409 -9.429 9.882 1.00 0.00 H new ATOM 1016 N VAL A 61 -2.882 -6.680 9.552 1.00 0.00 N ATOM 1017 CA VAL A 61 -2.932 -5.374 10.197 1.00 0.00 C ATOM 1018 C VAL A 61 -3.438 -4.304 9.237 1.00 0.00 C ATOM 1019 O VAL A 61 -4.268 -3.470 9.600 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.549 -4.957 10.730 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -0.519 -4.970 9.609 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -1.620 -3.585 11.383 1.00 0.00 C ATOM 0 H VAL A 61 -1.949 -7.088 9.498 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.624 -5.463 11.034 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.238 -5.678 11.486 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.452 -4.673 10.004 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.449 -5.974 9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.822 -4.272 8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.633 -3.307 11.754 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.953 -2.850 10.650 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.325 -3.614 12.214 1.00 0.00 H new ATOM 1032 N VAL A 62 -2.933 -4.335 8.007 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.335 -3.369 6.992 1.00 0.00 C ATOM 1034 C VAL A 62 -4.807 -3.532 6.629 1.00 0.00 C ATOM 1035 O VAL A 62 -5.592 -2.588 6.736 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.486 -3.510 5.715 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.099 -2.713 4.574 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.054 -3.066 5.977 1.00 0.00 C ATOM 0 H VAL A 62 -2.245 -5.018 7.690 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.176 -2.379 7.419 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.470 -4.560 5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.485 -2.825 3.681 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.105 -3.082 4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.148 -1.660 4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.467 -3.172 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.049 -2.023 6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.619 -3.685 6.762 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.176 -4.735 6.202 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.555 -5.022 5.824 1.00 0.00 C ATOM 1050 C CYS A 63 -7.505 -4.758 6.988 1.00 0.00 C ATOM 1051 O CYS A 63 -8.670 -4.417 6.785 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.687 -6.474 5.361 1.00 0.00 C ATOM 1053 SG CYS A 63 -5.908 -6.815 3.765 1.00 0.00 S ATOM 0 H CYS A 63 -4.540 -5.527 6.109 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.825 -4.360 5.002 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.246 -7.126 6.115 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.745 -6.729 5.299 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.127 -5.823 2.954 1.00 0.00 H new ATOM 1059 N ALA A 64 -6.999 -4.919 8.205 1.00 0.00 N ATOM 1060 CA ALA A 64 -7.802 -4.698 9.402 1.00 0.00 C ATOM 1061 C ALA A 64 -8.144 -3.221 9.568 1.00 0.00 C ATOM 1062 O ALA A 64 -9.315 -2.847 9.614 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.069 -5.213 10.631 1.00 0.00 C ATOM 0 H ALA A 64 -6.036 -5.202 8.389 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.735 -5.250 9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.680 -5.042 11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.880 -6.281 10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.121 -4.686 10.736 1.00 0.00 H new ATOM 1069 N MET A 65 -7.114 -2.387 9.658 1.00 0.00 N ATOM 1070 CA MET A 65 -7.307 -0.950 9.819 1.00 0.00 C ATOM 1071 C MET A 65 -8.047 -0.364 8.621 1.00 0.00 C ATOM 1072 O MET A 65 -8.893 0.518 8.773 1.00 0.00 O ATOM 1073 CB MET A 65 -5.958 -0.249 9.993 1.00 0.00 C ATOM 1074 CG MET A 65 -5.037 -0.396 8.792 1.00 0.00 C ATOM 1075 SD MET A 65 -3.432 0.384 9.049 1.00 0.00 S ATOM 1076 CE MET A 65 -2.503 -0.977 9.752 1.00 0.00 C ATOM 0 H MET A 65 -6.138 -2.680 9.622 1.00 0.00 H new ATOM 0 HA MET A 65 -7.911 -0.787 10.712 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.130 0.811 10.181 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.459 -0.652 10.874 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.892 -1.455 8.578 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.515 0.044 7.917 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.697 -0.585 10.372 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.164 -1.592 10.362 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.082 -1.583 8.950 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.723 -0.857 7.431 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.358 -0.382 6.208 1.00 0.00 C ATOM 1088 C ILE A 66 -9.837 -0.756 6.176 1.00 0.00 C ATOM 1089 O ILE A 66 -10.689 0.077 5.869 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.668 -0.955 4.956 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.641 0.040 4.412 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.700 -1.295 3.892 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.533 0.362 5.391 1.00 0.00 C ATOM 0 H ILE A 66 -7.024 -1.586 7.287 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.259 0.704 6.202 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.146 -1.871 5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.202 -0.365 3.500 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.152 0.963 4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.197 -1.699 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.396 -2.036 4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.247 -0.394 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.842 1.073 4.938 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.961 0.797 6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.997 -0.552 5.647 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.132 -2.011 6.496 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.508 -2.494 6.504 1.00 0.00 C ATOM 1107 C GLU A 67 -12.365 -1.675 7.465 1.00 0.00 C ATOM 1108 O GLU A 67 -13.422 -1.168 7.092 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.551 -3.972 6.897 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.324 -4.919 5.731 1.00 0.00 C ATOM 1111 CD GLU A 67 -11.123 -6.355 6.175 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -10.223 -6.599 7.005 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -11.869 -7.234 5.693 1.00 0.00 O ATOM 0 H GLU A 67 -9.437 -2.712 6.753 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.912 -2.382 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.794 -4.159 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.518 -4.191 7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.178 -4.868 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.451 -4.592 5.167 1.00 0.00 H new ATOM 1120 N GLY A 68 -11.902 -1.554 8.705 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.638 -0.797 9.701 1.00 0.00 C ATOM 1122 C GLY A 68 -12.841 0.650 9.297 1.00 0.00 C ATOM 1123 O GLY A 68 -13.965 1.152 9.306 1.00 0.00 O ATOM 0 H GLY A 68 -11.031 -1.966 9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.609 -1.265 9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.103 -0.834 10.650 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.750 1.323 8.943 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.815 2.720 8.534 1.00 0.00 C ATOM 1129 C ALA A 69 -12.719 2.895 7.318 1.00 0.00 C ATOM 1130 O ALA A 69 -13.516 3.830 7.256 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.418 3.247 8.236 1.00 0.00 C ATOM 0 H ALA A 69 -10.812 0.923 8.932 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.241 3.295 9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.481 4.292 7.932 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.800 3.166 9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.972 2.661 7.432 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.588 1.989 6.353 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.393 2.045 5.139 1.00 0.00 C ATOM 1139 C GLN A 70 -14.881 2.009 5.471 1.00 0.00 C ATOM 1140 O GLN A 70 -15.646 2.869 5.034 1.00 0.00 O ATOM 1141 CB GLN A 70 -13.037 0.882 4.211 1.00 0.00 C ATOM 1142 CG GLN A 70 -11.935 1.212 3.218 1.00 0.00 C ATOM 1143 CD GLN A 70 -11.806 0.172 2.122 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -10.718 -0.338 1.858 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -12.922 -0.147 1.476 1.00 0.00 N ATOM 0 H GLN A 70 -11.932 1.208 6.389 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.175 2.985 4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.728 0.028 4.814 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.929 0.579 3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.135 2.185 2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.986 1.295 3.748 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.803 0.301 1.728 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.898 -0.840 0.728 1.00 0.00 H new ATOM 1154 N GLY A 71 -15.286 1.008 6.246 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.682 0.879 6.621 1.00 0.00 C ATOM 1156 C GLY A 71 -17.200 2.099 7.357 1.00 0.00 C ATOM 1157 O GLY A 71 -18.288 2.593 7.062 1.00 0.00 O ATOM 0 H GLY A 71 -14.673 0.284 6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.282 0.717 5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.806 -0.002 7.251 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.420 2.586 8.315 1.00 0.00 N ATOM 1162 CA ALA A 72 -16.805 3.756 9.094 1.00 0.00 C ATOM 1163 C ALA A 72 -16.892 4.997 8.213 1.00 0.00 C ATOM 1164 O ALA A 72 -17.946 5.628 8.113 1.00 0.00 O ATOM 1165 CB ALA A 72 -15.820 3.982 10.231 1.00 0.00 C ATOM 0 H ALA A 72 -15.516 2.188 8.571 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.793 3.571 9.516 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.121 4.859 10.804 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.810 3.109 10.883 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.822 4.140 9.822 1.00 0.00 H new ATOM 1171 N LEU A 73 -15.779 5.345 7.577 1.00 0.00 N ATOM 1172 CA LEU A 73 -15.729 6.512 6.703 1.00 0.00 C ATOM 1173 C LEU A 73 -16.827 6.449 5.647 1.00 0.00 C ATOM 1174 O LEU A 73 -17.610 7.387 5.495 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.360 6.610 6.028 1.00 0.00 C ATOM 1176 CG LEU A 73 -13.776 8.017 5.896 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -12.259 7.976 5.987 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -14.215 8.656 4.586 1.00 0.00 C ATOM 0 H LEU A 73 -14.898 4.835 7.650 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.890 7.400 7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.655 5.997 6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.437 6.175 5.031 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.153 8.624 6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.861 8.986 5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.963 7.560 6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.863 7.353 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.790 9.657 4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.867 8.049 3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.303 8.721 4.559 1.00 0.00 H new ATOM 1190 N GLU A 74 -16.879 5.338 4.920 1.00 0.00 N ATOM 1191 CA GLU A 74 -17.882 5.153 3.878 1.00 0.00 C ATOM 1192 C GLU A 74 -19.287 5.368 4.432 1.00 0.00 C ATOM 1193 O GLU A 74 -20.073 6.138 3.880 1.00 0.00 O ATOM 1194 CB GLU A 74 -17.770 3.751 3.274 1.00 0.00 C ATOM 1195 CG GLU A 74 -16.553 3.569 2.383 1.00 0.00 C ATOM 1196 CD GLU A 74 -16.356 2.128 1.952 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -17.237 1.294 2.248 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -15.322 1.836 1.316 1.00 0.00 O ATOM 0 H GLU A 74 -16.238 4.552 5.033 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.699 5.893 3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.732 3.019 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -18.669 3.541 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.657 4.198 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.664 3.910 2.914 1.00 0.00 H new ATOM 1205 N ARG A 75 -19.597 4.682 5.527 1.00 0.00 N ATOM 1206 CA ARG A 75 -20.908 4.796 6.156 1.00 0.00 C ATOM 1207 C ARG A 75 -21.155 6.221 6.643 1.00 0.00 C ATOM 1208 O ARG A 75 -22.299 6.659 6.754 1.00 0.00 O ATOM 1209 CB ARG A 75 -21.023 3.818 7.326 1.00 0.00 C ATOM 1210 CG ARG A 75 -21.218 2.374 6.896 1.00 0.00 C ATOM 1211 CD ARG A 75 -22.692 2.036 6.729 1.00 0.00 C ATOM 1212 NE ARG A 75 -22.903 0.613 6.480 1.00 0.00 N ATOM 1213 CZ ARG A 75 -24.104 0.049 6.412 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -25.195 0.785 6.575 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -24.215 -1.253 6.181 1.00 0.00 N ATOM 0 H ARG A 75 -18.958 4.041 5.997 1.00 0.00 H new ATOM 0 HA ARG A 75 -21.664 4.549 5.410 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.123 3.888 7.937 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -21.860 4.116 7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -20.695 2.199 5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -20.773 1.709 7.637 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.235 2.331 7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.105 2.614 5.902 1.00 0.00 H new ATOM 0 HE ARG A 75 -22.084 0.019 6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -25.113 1.786 6.753 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -26.116 0.350 6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -23.378 -1.822 6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -25.138 -1.685 6.129 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.073 6.937 6.933 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.174 8.312 7.411 1.00 0.00 C ATOM 1231 C GLU A 76 -20.485 9.266 6.261 1.00 0.00 C ATOM 1232 O GLU A 76 -21.453 10.026 6.314 1.00 0.00 O ATOM 1233 CB GLU A 76 -18.873 8.733 8.098 1.00 0.00 C ATOM 1234 CG GLU A 76 -18.958 10.085 8.785 1.00 0.00 C ATOM 1235 CD GLU A 76 -20.090 10.159 9.790 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -20.071 9.376 10.764 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -20.996 10.999 9.606 1.00 0.00 O ATOM 0 H GLU A 76 -19.118 6.589 6.846 1.00 0.00 H new ATOM 0 HA GLU A 76 -20.990 8.360 8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.600 7.977 8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.073 8.761 7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.015 10.291 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.093 10.862 8.033 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.660 9.219 5.221 1.00 0.00 N ATOM 1245 CA LEU A 77 -19.845 10.079 4.057 1.00 0.00 C ATOM 1246 C LEU A 77 -21.126 9.717 3.312 1.00 0.00 C ATOM 1247 O LEU A 77 -21.823 10.589 2.793 1.00 0.00 O ATOM 1248 CB LEU A 77 -18.645 9.964 3.117 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.244 8.546 2.710 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -18.885 8.172 1.383 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -16.729 8.422 2.626 1.00 0.00 C ATOM 0 H LEU A 77 -18.856 8.594 5.160 1.00 0.00 H new ATOM 0 HA LEU A 77 -19.927 11.108 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -18.862 10.532 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -17.788 10.439 3.594 1.00 0.00 H new ATOM 0 HG LEU A 77 -18.603 7.855 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -18.589 7.160 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -19.970 8.220 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.556 8.868 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.463 7.406 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.347 9.124 1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.291 8.648 3.598 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.431 8.425 3.265 1.00 0.00 N ATOM 1264 CA LYS A 78 -22.630 7.946 2.587 1.00 0.00 C ATOM 1265 C LYS A 78 -23.888 8.418 3.306 1.00 0.00 C ATOM 1266 O LYS A 78 -24.991 8.343 2.765 1.00 0.00 O ATOM 1267 CB LYS A 78 -22.619 6.418 2.506 1.00 0.00 C ATOM 1268 CG LYS A 78 -21.662 5.871 1.460 1.00 0.00 C ATOM 1269 CD LYS A 78 -22.061 6.303 0.059 1.00 0.00 C ATOM 1270 CE LYS A 78 -23.467 5.838 -0.288 1.00 0.00 C ATOM 1271 NZ LYS A 78 -23.625 4.368 -0.116 1.00 0.00 N ATOM 0 H LYS A 78 -20.864 7.690 3.689 1.00 0.00 H new ATOM 0 HA LYS A 78 -22.634 8.358 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -22.349 6.013 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -23.627 6.067 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -20.651 6.217 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -21.645 4.783 1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -22.006 7.389 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -21.353 5.897 -0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -24.187 6.357 0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -23.695 6.109 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -24.527 4.064 -0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -22.840 3.877 -0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -23.618 4.134 0.897 1.00 0.00 H new ATOM 1285 N ARG A 79 -23.716 8.907 4.531 1.00 0.00 N ATOM 1286 CA ARG A 79 -24.839 9.391 5.325 1.00 0.00 C ATOM 1287 C ARG A 79 -25.670 10.398 4.534 1.00 0.00 C ATOM 1288 O ARG A 79 -26.900 10.367 4.569 1.00 0.00 O ATOM 1289 CB ARG A 79 -24.335 10.035 6.619 1.00 0.00 C ATOM 1290 CG ARG A 79 -25.450 10.476 7.553 1.00 0.00 C ATOM 1291 CD ARG A 79 -26.048 9.296 8.303 1.00 0.00 C ATOM 1292 NE ARG A 79 -27.386 9.591 8.809 1.00 0.00 N ATOM 1293 CZ ARG A 79 -28.059 8.783 9.622 1.00 0.00 C ATOM 1294 NH1 ARG A 79 -27.520 7.639 10.019 1.00 0.00 N ATOM 1295 NH2 ARG A 79 -29.273 9.121 10.039 1.00 0.00 N ATOM 0 H ARG A 79 -22.810 8.978 4.994 1.00 0.00 H new ATOM 0 HA ARG A 79 -25.471 8.538 5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -23.693 9.326 7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -23.719 10.899 6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -25.062 11.203 8.266 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -26.230 10.977 6.979 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -26.093 8.431 7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -25.397 9.027 9.135 1.00 0.00 H new ATOM 0 HE ARG A 79 -27.828 10.465 8.523 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -26.587 7.377 9.701 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -28.038 7.020 10.643 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -29.690 10.001 9.736 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -29.789 8.501 10.663 1.00 0.00 H new ATOM 1309 N THR A 80 -24.988 11.290 3.822 1.00 0.00 N ATOM 1310 CA THR A 80 -25.663 12.306 3.023 1.00 0.00 C ATOM 1311 C THR A 80 -24.729 12.883 1.966 1.00 0.00 C ATOM 1312 O THR A 80 -23.559 13.152 2.237 1.00 0.00 O ATOM 1313 CB THR A 80 -26.193 13.453 3.905 1.00 0.00 C ATOM 1314 OG1 THR A 80 -25.344 13.627 5.045 1.00 0.00 O ATOM 1315 CG2 THR A 80 -27.616 13.169 4.365 1.00 0.00 C ATOM 0 H THR A 80 -23.970 11.330 3.782 1.00 0.00 H new ATOM 0 HA THR A 80 -26.504 11.816 2.532 1.00 0.00 H new ATOM 0 HB THR A 80 -26.195 14.367 3.311 1.00 0.00 H new ATOM 0 HG1 THR A 80 -25.687 14.359 5.599 1.00 0.00 H new ATOM 0 HG21 THR A 80 -27.969 13.992 4.986 1.00 0.00 H new ATOM 0 HG22 THR A 80 -28.266 13.066 3.496 1.00 0.00 H new ATOM 0 HG23 THR A 80 -27.634 12.245 4.943 1.00 0.00 H new ATOM 1323 N ASP A 81 -25.254 13.073 0.760 1.00 0.00 N ATOM 1324 CA ASP A 81 -24.468 13.620 -0.338 1.00 0.00 C ATOM 1325 C ASP A 81 -25.334 13.825 -1.579 1.00 0.00 C ATOM 1326 O ASP A 81 -26.078 12.931 -1.982 1.00 0.00 O ATOM 1327 CB ASP A 81 -23.297 12.693 -0.667 1.00 0.00 C ATOM 1328 CG ASP A 81 -23.751 11.296 -1.039 1.00 0.00 C ATOM 1329 OD1 ASP A 81 -24.111 10.526 -0.125 1.00 0.00 O ATOM 1330 OD2 ASP A 81 -23.744 10.971 -2.246 1.00 0.00 O ATOM 0 H ASP A 81 -26.221 12.856 0.519 1.00 0.00 H new ATOM 0 HA ASP A 81 -24.078 14.589 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -22.723 13.117 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -22.629 12.638 0.192 1.00 0.00 H new ATOM 1335 N LEU A 82 -25.233 15.006 -2.176 1.00 0.00 N ATOM 1336 CA LEU A 82 -26.008 15.329 -3.369 1.00 0.00 C ATOM 1337 C LEU A 82 -25.388 16.504 -4.120 1.00 0.00 C ATOM 1338 O LEU A 82 -25.654 17.663 -3.807 1.00 0.00 O ATOM 1339 CB LEU A 82 -27.453 15.658 -2.989 1.00 0.00 C ATOM 1340 CG LEU A 82 -28.514 15.334 -4.042 1.00 0.00 C ATOM 1341 CD1 LEU A 82 -28.256 16.120 -5.318 1.00 0.00 C ATOM 1342 CD2 LEU A 82 -28.543 13.840 -4.329 1.00 0.00 C ATOM 0 H LEU A 82 -24.622 15.757 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 82 -26.000 14.458 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -27.700 15.117 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -27.513 16.721 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 82 -29.488 15.626 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -29.020 15.877 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -28.288 17.188 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -27.274 15.860 -5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -29.304 13.629 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -27.569 13.522 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -28.777 13.298 -3.413 1.00 0.00 H new ATOM 1354 N ASN A 83 -24.562 16.193 -5.114 1.00 0.00 N ATOM 1355 CA ASN A 83 -23.905 17.223 -5.911 1.00 0.00 C ATOM 1356 C ASN A 83 -23.023 16.597 -6.987 1.00 0.00 C ATOM 1357 O ASN A 83 -22.627 15.436 -6.882 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.064 18.133 -5.013 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.676 19.512 -4.854 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -24.040 19.918 -3.751 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -23.792 20.239 -5.960 1.00 0.00 N ATOM 0 H ASN A 83 -24.332 15.237 -5.387 1.00 0.00 H new ATOM 0 HA ASN A 83 -24.677 17.818 -6.399 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -22.955 17.671 -4.032 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.063 18.229 -5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -24.196 21.174 -5.915 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -23.477 19.862 -6.854 1.00 0.00 H new ATOM 1368 N ILE A 84 -22.719 17.375 -8.021 1.00 0.00 N ATOM 1369 CA ILE A 84 -21.884 16.897 -9.115 1.00 0.00 C ATOM 1370 C ILE A 84 -20.514 16.457 -8.610 1.00 0.00 C ATOM 1371 O ILE A 84 -20.102 15.314 -8.815 1.00 0.00 O ATOM 1372 CB ILE A 84 -21.696 17.981 -10.195 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -23.056 18.473 -10.695 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -20.864 17.440 -11.348 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -23.887 17.391 -11.348 1.00 0.00 C ATOM 0 H ILE A 84 -23.039 18.338 -8.123 1.00 0.00 H new ATOM 0 HA ILE A 84 -22.399 16.042 -9.554 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.165 18.825 -9.755 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -23.613 18.891 -9.856 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -22.901 19.281 -11.409 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -20.740 18.217 -12.103 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -19.886 17.133 -10.978 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -21.370 16.582 -11.790 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -24.837 17.811 -11.678 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -23.350 16.989 -12.207 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -24.073 16.592 -10.630 1.00 0.00 H new ATOM 1387 N LEU A 85 -19.814 17.370 -7.946 1.00 0.00 N ATOM 1388 CA LEU A 85 -18.489 17.075 -7.408 1.00 0.00 C ATOM 1389 C LEU A 85 -18.559 15.955 -6.375 1.00 0.00 C ATOM 1390 O LEU A 85 -17.772 15.009 -6.418 1.00 0.00 O ATOM 1391 CB LEU A 85 -17.884 18.331 -6.777 1.00 0.00 C ATOM 1392 CG LEU A 85 -16.383 18.280 -6.491 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -15.816 19.685 -6.359 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -16.106 17.471 -5.233 1.00 0.00 C ATOM 0 H LEU A 85 -20.140 18.320 -7.767 1.00 0.00 H new ATOM 0 HA LEU A 85 -17.853 16.746 -8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.080 19.176 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.406 18.531 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 85 -15.890 17.789 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -14.747 19.628 -6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -15.980 20.232 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.314 20.203 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.033 17.446 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -16.612 17.933 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -16.475 16.454 -5.366 1.00 0.00 H new ATOM 1406 N GLU A 86 -19.505 16.070 -5.448 1.00 0.00 N ATOM 1407 CA GLU A 86 -19.677 15.065 -4.405 1.00 0.00 C ATOM 1408 C GLU A 86 -19.925 13.687 -5.012 1.00 0.00 C ATOM 1409 O GLU A 86 -19.417 12.680 -4.519 1.00 0.00 O ATOM 1410 CB GLU A 86 -20.840 15.446 -3.486 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.593 16.714 -2.686 1.00 0.00 C ATOM 1412 CD GLU A 86 -19.506 16.544 -1.643 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -19.383 15.430 -1.091 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -18.779 17.524 -1.379 1.00 0.00 O ATOM 0 H GLU A 86 -20.163 16.848 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.758 15.025 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.740 15.575 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -21.032 14.623 -2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.316 17.520 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.518 17.015 -2.195 1.00 0.00 H new ATOM 1421 N ARG A 87 -20.708 13.651 -6.084 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.025 12.398 -6.758 1.00 0.00 C ATOM 1423 C ARG A 87 -19.777 11.791 -7.391 1.00 0.00 C ATOM 1424 O ARG A 87 -19.513 10.596 -7.247 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.094 12.625 -7.829 1.00 0.00 C ATOM 1426 CG ARG A 87 -22.686 11.339 -8.381 1.00 0.00 C ATOM 1427 CD ARG A 87 -23.304 11.555 -9.754 1.00 0.00 C ATOM 1428 NE ARG A 87 -22.289 11.646 -10.801 1.00 0.00 N ATOM 1429 CZ ARG A 87 -21.584 10.608 -11.235 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -21.782 9.404 -10.714 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -20.679 10.771 -12.192 1.00 0.00 N ATOM 0 H ARG A 87 -21.135 14.476 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.410 11.702 -6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -22.895 13.232 -7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -21.659 13.196 -8.649 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -21.909 10.578 -8.446 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -23.444 10.962 -7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -23.985 10.734 -9.979 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -23.899 12.468 -9.745 1.00 0.00 H new ATOM 0 HE ARG A 87 -22.112 12.558 -11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -22.477 9.274 -9.979 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -21.239 8.608 -11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -20.524 11.695 -12.595 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -20.138 9.972 -12.524 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.012 12.620 -8.093 1.00 0.00 N ATOM 1446 CA PHE A 88 -17.793 12.165 -8.750 1.00 0.00 C ATOM 1447 C PHE A 88 -16.818 11.569 -7.737 1.00 0.00 C ATOM 1448 O PHE A 88 -16.390 10.425 -7.871 1.00 0.00 O ATOM 1449 CB PHE A 88 -17.125 13.324 -9.495 1.00 0.00 C ATOM 1450 CG PHE A 88 -15.763 12.987 -10.029 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -15.607 12.015 -11.003 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -14.638 13.645 -9.559 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -14.354 11.703 -11.496 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -13.382 13.338 -10.048 1.00 0.00 C ATOM 1455 CZ PHE A 88 -13.241 12.366 -11.019 1.00 0.00 C ATOM 0 H PHE A 88 -19.215 13.611 -8.221 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.065 11.390 -9.466 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -17.765 13.631 -10.322 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -17.042 14.178 -8.823 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.474 11.495 -11.382 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -14.744 14.407 -8.801 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.246 10.941 -12.254 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.513 13.857 -9.672 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.261 12.125 -11.405 1.00 0.00 H new ATOM 1465 N ASN A 89 -16.474 12.356 -6.723 1.00 0.00 N ATOM 1466 CA ASN A 89 -15.550 11.908 -5.687 1.00 0.00 C ATOM 1467 C ASN A 89 -16.060 10.636 -5.017 1.00 0.00 C ATOM 1468 O ASN A 89 -15.307 9.683 -4.816 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.354 13.006 -4.640 1.00 0.00 C ATOM 1470 CG ASN A 89 -14.653 14.227 -5.205 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -14.668 14.460 -6.414 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.035 15.012 -4.331 1.00 0.00 N ATOM 0 H ASN A 89 -16.821 13.307 -6.596 1.00 0.00 H new ATOM 0 HA ASN A 89 -14.592 11.690 -6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.324 13.300 -4.240 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.773 12.610 -3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.546 15.848 -4.652 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.049 14.780 -3.338 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.344 10.628 -4.674 1.00 0.00 N ATOM 1480 CA TYR A 90 -17.954 9.475 -4.024 1.00 0.00 C ATOM 1481 C TYR A 90 -17.894 8.246 -4.927 1.00 0.00 C ATOM 1482 O TYR A 90 -17.622 7.137 -4.468 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.407 9.780 -3.657 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.561 10.464 -2.317 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.683 11.466 -1.922 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.584 10.109 -1.447 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.820 12.095 -0.699 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.729 10.734 -0.223 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.844 11.724 0.147 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.984 12.347 1.366 1.00 0.00 O ATOM 0 H TYR A 90 -17.982 11.407 -4.836 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.392 9.264 -3.114 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -19.844 10.412 -4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -19.974 8.849 -3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -17.880 11.758 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.278 9.332 -1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.129 12.872 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.532 10.448 0.440 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.660 11.877 1.898 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.149 8.454 -6.216 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.125 7.363 -7.184 1.00 0.00 C ATOM 1502 C GLU A 91 -16.753 6.694 -7.214 1.00 0.00 C ATOM 1503 O GLU A 91 -16.640 5.480 -7.042 1.00 0.00 O ATOM 1504 CB GLU A 91 -18.482 7.882 -8.578 1.00 0.00 C ATOM 1505 CG GLU A 91 -19.087 6.824 -9.485 1.00 0.00 C ATOM 1506 CD GLU A 91 -18.037 5.987 -10.188 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -17.358 6.520 -11.090 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -17.894 4.797 -9.835 1.00 0.00 O ATOM 0 H GLU A 91 -18.374 9.366 -6.613 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.865 6.623 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.185 8.709 -8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.584 8.282 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.731 6.171 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -19.719 7.308 -10.230 1.00 0.00 H new ATOM 1515 N GLU A 92 -15.715 7.494 -7.435 1.00 0.00 N ATOM 1516 CA GLU A 92 -14.351 6.978 -7.489 1.00 0.00 C ATOM 1517 C GLU A 92 -13.945 6.374 -6.148 1.00 0.00 C ATOM 1518 O GLU A 92 -13.185 5.408 -6.095 1.00 0.00 O ATOM 1519 CB GLU A 92 -13.377 8.092 -7.875 1.00 0.00 C ATOM 1520 CG GLU A 92 -11.919 7.667 -7.833 1.00 0.00 C ATOM 1521 CD GLU A 92 -10.985 8.731 -8.375 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -10.909 9.820 -7.767 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -10.329 8.475 -9.407 1.00 0.00 O ATOM 0 H GLU A 92 -15.792 8.501 -7.579 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.315 6.195 -8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.616 8.440 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.520 8.937 -7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.642 7.435 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.795 6.751 -8.411 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.456 6.952 -5.065 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.148 6.470 -3.725 1.00 0.00 C ATOM 1532 C ALA A 93 -14.607 5.028 -3.540 1.00 0.00 C ATOM 1533 O ALA A 93 -13.809 4.152 -3.208 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.794 7.369 -2.680 1.00 0.00 C ATOM 0 H ALA A 93 -15.085 7.755 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.066 6.498 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.556 6.998 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.414 8.385 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.875 7.369 -2.818 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.896 4.789 -3.759 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.460 3.453 -3.615 1.00 0.00 C ATOM 1542 C GLN A 94 -15.855 2.494 -4.635 1.00 0.00 C ATOM 1543 O GLN A 94 -15.719 1.298 -4.376 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.980 3.497 -3.779 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.441 3.369 -5.223 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.840 3.908 -5.438 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.077 5.113 -5.334 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.778 3.019 -5.742 1.00 0.00 N ATOM 0 H GLN A 94 -16.569 5.503 -4.037 1.00 0.00 H new ATOM 0 HA GLN A 94 -16.220 3.091 -2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.424 2.693 -3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.354 4.435 -3.369 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.746 3.903 -5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.410 2.320 -5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -20.538 2.030 -5.818 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.738 3.325 -5.900 1.00 0.00 H new ATOM 1557 N THR A 95 -15.491 3.026 -5.798 1.00 0.00 N ATOM 1558 CA THR A 95 -14.901 2.218 -6.858 1.00 0.00 C ATOM 1559 C THR A 95 -13.559 1.640 -6.425 1.00 0.00 C ATOM 1560 O THR A 95 -13.334 0.431 -6.516 1.00 0.00 O ATOM 1561 CB THR A 95 -14.703 3.039 -8.146 1.00 0.00 C ATOM 1562 OG1 THR A 95 -15.965 3.525 -8.616 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.042 2.199 -9.227 1.00 0.00 C ATOM 0 H THR A 95 -15.595 4.014 -6.030 1.00 0.00 H new ATOM 0 HA THR A 95 -15.596 1.403 -7.059 1.00 0.00 H new ATOM 0 HB THR A 95 -14.052 3.883 -7.916 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.098 4.445 -8.305 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.913 2.800 -10.127 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.068 1.856 -8.877 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.670 1.338 -9.453 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.670 2.507 -5.954 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.348 2.081 -5.507 1.00 0.00 C ATOM 1573 C LEU A 96 -11.454 1.172 -4.287 1.00 0.00 C ATOM 1574 O LEU A 96 -10.749 0.166 -4.186 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.483 3.299 -5.177 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.067 4.168 -6.363 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.314 5.400 -5.884 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.217 3.368 -7.339 1.00 0.00 C ATOM 0 H LEU A 96 -12.840 3.509 -5.872 1.00 0.00 H new ATOM 0 HA LEU A 96 -10.880 1.520 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.026 3.924 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.581 2.953 -4.672 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.968 4.496 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.026 6.007 -6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.955 5.985 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.420 5.092 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.930 4.003 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.321 3.009 -6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.790 2.517 -7.708 1.00 0.00 H new ATOM 1590 N SER A 97 -12.339 1.530 -3.362 1.00 0.00 N ATOM 1591 CA SER A 97 -12.535 0.747 -2.147 1.00 0.00 C ATOM 1592 C SER A 97 -12.956 -0.680 -2.484 1.00 0.00 C ATOM 1593 O SER A 97 -12.419 -1.643 -1.937 1.00 0.00 O ATOM 1594 CB SER A 97 -13.590 1.406 -1.256 1.00 0.00 C ATOM 1595 OG SER A 97 -14.751 0.600 -1.161 1.00 0.00 O ATOM 0 H SER A 97 -12.932 2.357 -3.431 1.00 0.00 H new ATOM 0 HA SER A 97 -11.587 0.710 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.177 1.574 -0.261 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.854 2.383 -1.661 1.00 0.00 H new ATOM 0 HG SER A 97 -15.223 0.804 -0.327 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.921 -0.808 -3.388 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.415 -2.117 -3.799 1.00 0.00 C ATOM 1603 C LYS A 98 -13.303 -2.943 -4.438 1.00 0.00 C ATOM 1604 O LYS A 98 -13.095 -4.103 -4.081 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.577 -1.960 -4.784 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.905 -2.462 -4.244 1.00 0.00 C ATOM 1607 CD LYS A 98 -17.904 -2.710 -5.361 1.00 0.00 C ATOM 1608 CE LYS A 98 -18.812 -1.508 -5.573 1.00 0.00 C ATOM 1609 NZ LYS A 98 -20.178 -1.742 -5.030 1.00 0.00 N ATOM 0 H LYS A 98 -14.377 -0.021 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.767 -2.640 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.677 -0.908 -5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.340 -2.499 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.746 -3.384 -3.685 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.314 -1.732 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.370 -2.932 -6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.508 -3.586 -5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -18.375 -0.633 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -18.878 -1.286 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -20.766 -0.900 -5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.606 -2.561 -5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -20.118 -1.929 -4.009 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.590 -2.337 -5.382 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.497 -3.016 -6.066 1.00 0.00 C ATOM 1625 C ILE A 99 -10.462 -3.533 -5.073 1.00 0.00 C ATOM 1626 O ILE A 99 -10.069 -4.700 -5.120 1.00 0.00 O ATOM 1627 CB ILE A 99 -10.801 -2.086 -7.078 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -11.802 -1.599 -8.128 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -9.635 -2.802 -7.740 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -11.425 -0.275 -8.755 1.00 0.00 C ATOM 0 H ILE A 99 -12.750 -1.378 -5.690 1.00 0.00 H new ATOM 0 HA ILE A 99 -11.936 -3.858 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.412 -1.218 -6.545 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -11.889 -2.351 -8.912 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -12.785 -1.506 -7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.154 -2.132 -8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.914 -3.103 -6.980 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.000 -3.686 -8.263 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.179 0.008 -9.489 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.367 0.491 -7.981 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -10.457 -0.368 -9.247 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.026 -2.658 -4.173 1.00 0.00 N ATOM 1643 CA LEU A 100 -9.037 -3.027 -3.166 1.00 0.00 C ATOM 1644 C LEU A 100 -9.538 -4.185 -2.309 1.00 0.00 C ATOM 1645 O LEU A 100 -8.785 -5.103 -1.986 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.711 -1.823 -2.279 1.00 0.00 C ATOM 1647 CG LEU A 100 -7.952 -2.128 -0.988 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -6.604 -2.760 -1.298 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -7.772 -0.861 -0.163 1.00 0.00 C ATOM 0 H LEU A 100 -10.341 -1.689 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.131 -3.347 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.124 -1.115 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.645 -1.325 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.538 -2.838 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.078 -2.970 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.756 -3.689 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.011 -2.074 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.230 -1.097 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.208 -0.128 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.749 -0.450 0.090 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.815 -4.134 -1.944 1.00 0.00 N ATOM 1662 CA LEU A 101 -11.418 -5.180 -1.125 1.00 0.00 C ATOM 1663 C LEU A 101 -11.289 -6.542 -1.799 1.00 0.00 C ATOM 1664 O LEU A 101 -10.780 -7.494 -1.207 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.894 -4.865 -0.867 1.00 0.00 C ATOM 1666 CG LEU A 101 -13.276 -4.590 0.587 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -13.211 -5.869 1.408 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -12.368 -3.524 1.186 1.00 0.00 C ATOM 0 H LEU A 101 -11.452 -3.380 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.887 -5.214 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.169 -3.996 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.492 -5.702 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 101 -14.301 -4.220 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -13.486 -5.653 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -13.903 -6.603 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -12.197 -6.269 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -12.655 -3.342 2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -11.334 -3.866 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -12.465 -2.601 0.615 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.748 -6.627 -3.042 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.681 -7.872 -3.800 1.00 0.00 C ATOM 1682 C LYS A 102 -10.249 -8.392 -3.866 1.00 0.00 C ATOM 1683 O LYS A 102 -9.993 -9.569 -3.611 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.224 -7.661 -5.215 1.00 0.00 C ATOM 1685 CG LYS A 102 -13.670 -7.199 -5.250 1.00 0.00 C ATOM 1686 CD LYS A 102 -14.239 -7.250 -6.658 1.00 0.00 C ATOM 1687 CE LYS A 102 -13.630 -6.176 -7.545 1.00 0.00 C ATOM 1688 NZ LYS A 102 -14.293 -4.857 -7.353 1.00 0.00 N ATOM 0 H LYS A 102 -12.171 -5.848 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.295 -8.613 -3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.604 -6.925 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.136 -8.594 -5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.270 -7.828 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.737 -6.181 -4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.050 -8.232 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -15.321 -7.121 -6.619 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.566 -6.083 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.715 -6.476 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.796 -4.134 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.283 -4.917 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.265 -4.597 -6.346 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.318 -7.507 -4.207 1.00 0.00 N ATOM 1703 CA ASP A 103 -7.910 -7.876 -4.304 1.00 0.00 C ATOM 1704 C ASP A 103 -7.406 -8.441 -2.979 1.00 0.00 C ATOM 1705 O ASP A 103 -6.754 -9.487 -2.946 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.070 -6.665 -4.708 1.00 0.00 C ATOM 1707 CG ASP A 103 -6.936 -6.530 -6.213 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -6.628 -7.543 -6.874 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -7.141 -5.411 -6.728 1.00 0.00 O ATOM 0 H ASP A 103 -9.513 -6.529 -4.421 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.813 -8.646 -5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.524 -5.760 -4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.078 -6.750 -4.264 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.709 -7.744 -1.890 1.00 0.00 N ATOM 1715 CA LEU A 104 -7.285 -8.176 -0.562 1.00 0.00 C ATOM 1716 C LEU A 104 -7.878 -9.539 -0.218 1.00 0.00 C ATOM 1717 O LEU A 104 -7.263 -10.333 0.495 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.702 -7.146 0.488 1.00 0.00 C ATOM 1719 CG LEU A 104 -8.938 -7.495 1.318 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -8.563 -8.409 2.474 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -9.612 -6.231 1.831 1.00 0.00 C ATOM 0 H LEU A 104 -8.247 -6.877 -1.900 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.198 -8.263 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.864 -6.991 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.884 -6.197 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.644 -8.024 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.455 -8.647 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.128 -9.329 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.837 -7.907 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.489 -6.500 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.913 -5.674 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.917 -5.613 0.987 1.00 0.00 H new ATOM 1733 N LYS A 105 -9.074 -9.805 -0.730 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.749 -11.073 -0.480 1.00 0.00 C ATOM 1735 C LYS A 105 -9.011 -12.225 -1.156 1.00 0.00 C ATOM 1736 O LYS A 105 -8.771 -13.263 -0.543 1.00 0.00 O ATOM 1737 CB LYS A 105 -11.193 -11.013 -0.984 1.00 0.00 C ATOM 1738 CG LYS A 105 -12.222 -10.923 0.129 1.00 0.00 C ATOM 1739 CD LYS A 105 -12.639 -9.485 0.388 1.00 0.00 C ATOM 1740 CE LYS A 105 -13.534 -8.956 -0.720 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.977 -9.156 -0.411 1.00 0.00 N ATOM 0 H LYS A 105 -9.597 -9.159 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.753 -11.248 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.304 -10.150 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.396 -11.899 -1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.098 -11.515 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.810 -11.354 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.164 -9.423 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.752 -8.857 0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.338 -7.894 -0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.290 -9.459 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.554 -8.782 -1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.169 -10.171 -0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.217 -8.655 0.468 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.654 -12.030 -2.421 1.00 0.00 N ATOM 1756 CA GLU A 106 -7.942 -13.054 -3.179 1.00 0.00 C ATOM 1757 C GLU A 106 -6.561 -13.312 -2.581 1.00 0.00 C ATOM 1758 O GLU A 106 -6.110 -14.454 -2.503 1.00 0.00 O ATOM 1759 CB GLU A 106 -7.806 -12.634 -4.643 1.00 0.00 C ATOM 1760 CG GLU A 106 -7.357 -13.759 -5.560 1.00 0.00 C ATOM 1761 CD GLU A 106 -8.395 -14.856 -5.691 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -9.594 -14.563 -5.502 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -8.008 -16.007 -5.981 1.00 0.00 O ATOM 0 H GLU A 106 -8.845 -11.175 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.520 -13.977 -3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.765 -12.252 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.092 -11.814 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.138 -13.352 -6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.430 -14.186 -5.178 1.00 0.00 H new ATOM 1770 N THR A 107 -5.895 -12.240 -2.163 1.00 0.00 N ATOM 1771 CA THR A 107 -4.566 -12.348 -1.575 1.00 0.00 C ATOM 1772 C THR A 107 -4.603 -13.144 -0.275 1.00 0.00 C ATOM 1773 O THR A 107 -3.863 -14.112 -0.109 1.00 0.00 O ATOM 1774 CB THR A 107 -3.961 -10.959 -1.296 1.00 0.00 C ATOM 1775 OG1 THR A 107 -4.294 -10.058 -2.357 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.448 -11.047 -1.156 1.00 0.00 C ATOM 0 H THR A 107 -6.255 -11.287 -2.221 1.00 0.00 H new ATOM 0 HA THR A 107 -3.941 -12.870 -2.300 1.00 0.00 H new ATOM 0 HB THR A 107 -4.377 -10.587 -0.360 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.182 -9.677 -2.196 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.042 -10.055 -0.959 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.197 -11.712 -0.329 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.019 -11.438 -2.079 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.471 -12.728 0.643 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.603 -13.404 1.928 1.00 0.00 C ATOM 1786 C GLU A 108 -5.936 -14.880 1.735 1.00 0.00 C ATOM 1787 O GLU A 108 -5.290 -15.753 2.314 1.00 0.00 O ATOM 1788 CB GLU A 108 -6.687 -12.731 2.774 1.00 0.00 C ATOM 1789 CG GLU A 108 -7.038 -13.500 4.037 1.00 0.00 C ATOM 1790 CD GLU A 108 -7.988 -12.736 4.939 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -7.505 -11.931 5.763 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -9.213 -12.944 4.821 1.00 0.00 O ATOM 0 H GLU A 108 -6.092 -11.928 0.521 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.648 -13.330 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.353 -11.731 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.586 -12.612 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.490 -14.454 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.124 -13.726 4.586 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.949 -15.150 0.918 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.368 -16.520 0.649 1.00 0.00 C ATOM 1801 C GLN A 109 -6.198 -17.360 0.149 1.00 0.00 C ATOM 1802 O GLN A 109 -5.931 -18.445 0.669 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.500 -16.537 -0.379 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.885 -16.438 0.237 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.291 -17.704 0.966 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -10.688 -18.691 0.346 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -10.195 -17.682 2.291 1.00 0.00 N ATOM 0 H GLN A 109 -7.494 -14.439 0.431 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.728 -16.952 1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.361 -15.709 -1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.436 -17.456 -0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.910 -15.599 0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.613 -16.225 -0.546 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -9.861 -16.842 2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -10.455 -18.505 2.835 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.501 -16.853 -0.862 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.359 -17.556 -1.433 1.00 0.00 C ATOM 1818 C LYS A 110 -3.326 -17.879 -0.358 1.00 0.00 C ATOM 1819 O LYS A 110 -2.848 -19.009 -0.262 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.715 -16.712 -2.536 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.263 -17.003 -3.922 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.048 -15.829 -4.865 1.00 0.00 C ATOM 1823 CE LYS A 110 -4.656 -16.095 -6.233 1.00 0.00 C ATOM 1824 NZ LYS A 110 -3.908 -15.399 -7.317 1.00 0.00 N ATOM 0 H LYS A 110 -5.707 -15.957 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.717 -18.492 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.866 -15.657 -2.309 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.639 -16.888 -2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.777 -17.890 -4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.328 -17.226 -3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.492 -14.931 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.980 -15.637 -4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.661 -17.168 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.695 -15.765 -6.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.353 -15.605 -8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.925 -14.373 -7.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.923 -15.732 -7.328 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.988 -16.879 0.451 1.00 0.00 N ATOM 1839 CA VAL A 111 -2.014 -17.058 1.521 1.00 0.00 C ATOM 1840 C VAL A 111 -2.425 -18.192 2.454 1.00 0.00 C ATOM 1841 O VAL A 111 -1.603 -19.024 2.837 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.843 -15.767 2.344 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.871 -15.993 3.494 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -1.372 -14.627 1.455 1.00 0.00 C ATOM 0 H VAL A 111 -3.374 -15.937 0.385 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.064 -17.307 1.048 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.811 -15.493 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.762 -15.071 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.254 -16.779 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.099 -16.291 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.257 -13.723 2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.415 -14.889 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.107 -14.451 0.669 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.703 -18.219 2.816 1.00 0.00 N ATOM 1855 CA LYS A 112 -4.226 -19.251 3.702 1.00 0.00 C ATOM 1856 C LYS A 112 -4.214 -20.614 3.018 1.00 0.00 C ATOM 1857 O LYS A 112 -4.055 -21.647 3.670 1.00 0.00 O ATOM 1858 CB LYS A 112 -5.650 -18.902 4.143 1.00 0.00 C ATOM 1859 CG LYS A 112 -5.720 -17.722 5.096 1.00 0.00 C ATOM 1860 CD LYS A 112 -7.013 -16.943 4.925 1.00 0.00 C ATOM 1861 CE LYS A 112 -8.228 -17.805 5.234 1.00 0.00 C ATOM 1862 NZ LYS A 112 -8.110 -18.475 6.559 1.00 0.00 N ATOM 0 H LYS A 112 -4.396 -17.537 2.509 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.582 -19.299 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.251 -18.682 3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.096 -19.773 4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.642 -18.078 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.871 -17.062 4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.005 -16.074 5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.081 -16.569 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.125 -17.187 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.346 -18.558 4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.037 -18.855 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.422 -19.253 6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.788 -17.786 7.269 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.381 -20.610 1.700 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.387 -21.846 0.926 1.00 0.00 C ATOM 1878 C ASP A 113 -3.013 -22.510 0.951 1.00 0.00 C ATOM 1879 O ASP A 113 -2.889 -23.690 1.282 1.00 0.00 O ATOM 1880 CB ASP A 113 -4.806 -21.567 -0.518 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.292 -22.813 -1.231 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -6.176 -23.504 -0.683 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -4.789 -23.096 -2.339 1.00 0.00 O ATOM 0 H ASP A 113 -4.514 -19.764 1.145 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.108 -22.526 1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.596 -20.816 -0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.961 -21.146 -1.063 1.00 0.00 H new ATOM 1888 N ILE A 114 -1.986 -21.745 0.599 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.622 -22.259 0.581 1.00 0.00 C ATOM 1890 C ILE A 114 -0.222 -22.803 1.948 1.00 0.00 C ATOM 1891 O ILE A 114 -0.445 -22.159 2.973 1.00 0.00 O ATOM 1892 CB ILE A 114 0.384 -21.172 0.160 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.351 -20.976 -1.357 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.787 -21.540 0.622 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.533 -19.830 -1.799 1.00 0.00 C ATOM 0 H ILE A 114 -2.072 -20.767 0.322 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.599 -23.067 -0.151 1.00 0.00 H new ATOM 0 HB ILE A 114 0.101 -20.233 0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.366 -20.801 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.002 -21.896 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.486 -20.762 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.800 -21.634 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 114 2.081 -22.489 0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.508 -19.750 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.557 -20.013 -1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.172 -18.901 -1.358 1.00 0.00 H new ATOM 1907 N GLN A 115 0.370 -23.993 1.956 1.00 0.00 N ATOM 1908 CA GLN A 115 0.802 -24.623 3.197 1.00 0.00 C ATOM 1909 C GLN A 115 2.303 -24.449 3.403 1.00 0.00 C ATOM 1910 O GLN A 115 3.098 -24.678 2.490 1.00 0.00 O ATOM 1911 CB GLN A 115 0.446 -26.111 3.189 1.00 0.00 C ATOM 1912 CG GLN A 115 0.885 -26.835 1.926 1.00 0.00 C ATOM 1913 CD GLN A 115 1.626 -28.125 2.221 1.00 0.00 C ATOM 1914 OE1 GLN A 115 1.014 -29.176 2.406 1.00 0.00 O ATOM 1915 NE2 GLN A 115 2.950 -28.050 2.264 1.00 0.00 N ATOM 0 H GLN A 115 0.561 -24.540 1.117 1.00 0.00 H new ATOM 0 HA GLN A 115 0.282 -24.136 4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.907 -26.591 4.052 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.633 -26.219 3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.010 -27.055 1.315 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.527 -26.178 1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.416 -27.157 2.104 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.502 -28.886 2.457 1.00 0.00 H new ATOM 1924 N THR A 116 2.687 -24.040 4.608 1.00 0.00 N ATOM 1925 CA THR A 116 4.093 -23.833 4.933 1.00 0.00 C ATOM 1926 C THR A 116 4.370 -24.140 6.400 1.00 0.00 C ATOM 1927 O THR A 116 3.455 -24.461 7.159 1.00 0.00 O ATOM 1928 CB THR A 116 4.532 -22.388 4.631 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.894 -21.482 5.538 1.00 0.00 O ATOM 1930 CG2 THR A 116 4.188 -22.005 3.199 1.00 0.00 C ATOM 0 H THR A 116 2.044 -23.845 5.375 1.00 0.00 H new ATOM 0 HA THR A 116 4.666 -24.518 4.307 1.00 0.00 H new ATOM 0 HB THR A 116 5.613 -22.327 4.757 1.00 0.00 H new ATOM 0 HG1 THR A 116 2.921 -21.550 5.438 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.508 -20.980 3.010 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.699 -22.678 2.510 1.00 0.00 H new ATOM 0 HG23 THR A 116 3.111 -22.082 3.050 1.00 0.00 H new ATOM 1938 N GLN A 117 5.634 -24.038 6.793 1.00 0.00 N ATOM 1939 CA GLN A 117 6.030 -24.305 8.172 1.00 0.00 C ATOM 1940 C GLN A 117 5.227 -23.447 9.144 1.00 0.00 C ATOM 1941 O GLN A 117 4.862 -22.314 8.832 1.00 0.00 O ATOM 1942 CB GLN A 117 7.525 -24.042 8.355 1.00 0.00 C ATOM 1943 CG GLN A 117 8.137 -24.800 9.522 1.00 0.00 C ATOM 1944 CD GLN A 117 7.877 -26.291 9.450 1.00 0.00 C ATOM 1945 OE1 GLN A 117 7.980 -26.901 8.384 1.00 0.00 O ATOM 1946 NE2 GLN A 117 7.537 -26.890 10.585 1.00 0.00 N ATOM 0 H GLN A 117 6.403 -23.773 6.177 1.00 0.00 H new ATOM 0 HA GLN A 117 5.824 -25.354 8.387 1.00 0.00 H new ATOM 0 HB2 GLN A 117 8.049 -24.317 7.439 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.682 -22.974 8.504 1.00 0.00 H new ATOM 0 HG2 GLN A 117 9.212 -24.623 9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.733 -24.409 10.456 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.463 -26.348 11.446 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.350 -27.893 10.596 1.00 0.00 H new TER 1955 GLN A 117