USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 983 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 49 LYS NZ :NH3+ 171:sc= 1.27 (180deg=0) USER MOD Set 1.2: A 117 GLN : amide:sc= 1.03 K(o=2.3,f=-7.5!) USER MOD Set 2.1: A 52 GLN : amide:sc= 1.02 K(o=2.3,f=-4.5!) USER MOD Set 2.2: A 116 THR OG1 : rot -114:sc= 1.3 USER MOD Set 3.1: A 94 GLN : amide:sc= 0.0922 K(o=-1.8,f=-4.7!) USER MOD Set 3.2: A 98 LYS NZ :NH3+ -149:sc= -1.88! (180deg=-1.65) USER MOD Set 4.1: A 80 THR OG1 : rot 152:sc= 0.752 USER MOD Set 4.2: A 90 TYR OH : rot 30:sc= 0.674 USER MOD Set 5.1: A 12 ASN : amide:sc= 0.232 K(o=0.93,f=-1.9!) USER MOD Set 5.2: A 24 HIS : no HD1:sc= 0.698 K(o=0.93,f=-6!) USER MOD Set 6.1: A 16 HIS : no HD1:sc=-0.000137 X(o=-1.5,f=-1.5) USER MOD Set 6.2: A 21 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.5!) USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 1 GLN N :NH3+ -174:sc= 1.05 (180deg=0.896) USER MOD Single : A 3 HIS :FLIP no HE2:sc= 0.26 F(o=-0.97,f=0.26) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0282) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= -0.905 (180deg=-1.25) USER MOD Single : A 7 LYS NZ :NH3+ -149:sc= -1.74! (180deg=-3.78!) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -0.0548 (180deg=-0.295) USER MOD Single : A 31 HIS : no HE2:sc= 0.716 K(o=0.72,f=-3!) USER MOD Single : A 32 GLN : amide:sc= -3.87! C(o=-3.9!,f=-3.7!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0755 X(o=-0.076,f=-0.55) USER MOD Single : A 39 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.5!) USER MOD Single : A 44 ASN : amide:sc= -1.01 K(o=-1,f=-2.2!) USER MOD Single : A 46 ASN : amide:sc= -1.52! C(o=-1.5!,f=-4.1!) USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= -0.184 (180deg=-0.824) USER MOD Single : A 48 SER OG : rot 180:sc= 0.199 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -111:sc= -0.886 (180deg=-2.08!) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.404 K(o=0.4,f=-1.9!) USER MOD Single : A 89 ASN : amide:sc= -0.987 X(o=-0.99,f=-1) USER MOD Single : A 95 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -119:sc= -0.214 (180deg=-1.46) USER MOD Single : A 105 LYS NZ :NH3+ 164:sc= -0.0762 (180deg=-0.674!) USER MOD Single : A 107 THR OG1 : rot 20:sc= 1.21 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 160:sc= -0.097 (180deg=-0.581) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 45.944 16.852 -1.464 1.00 0.00 N ATOM 2 CA GLN A 1 45.394 17.043 -0.108 1.00 0.00 C ATOM 3 C GLN A 1 43.967 17.581 -0.193 1.00 0.00 C ATOM 4 O GLN A 1 43.217 17.561 0.788 1.00 0.00 O ATOM 5 CB GLN A 1 46.264 18.035 0.667 1.00 0.00 C ATOM 6 CG GLN A 1 45.883 18.185 2.129 1.00 0.00 C ATOM 7 CD GLN A 1 46.746 19.188 2.853 1.00 0.00 C ATOM 8 OE1 GLN A 1 47.235 20.150 2.259 1.00 0.00 O ATOM 9 NE2 GLN A 1 46.938 18.979 4.136 1.00 0.00 N ATOM 0 H1 GLN A 1 46.874 16.392 -1.400 1.00 0.00 H new ATOM 0 H2 GLN A 1 45.299 16.254 -2.019 1.00 0.00 H new ATOM 0 H3 GLN A 1 46.047 17.776 -1.930 1.00 0.00 H new ATOM 0 HA GLN A 1 45.386 16.083 0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 1 47.304 17.715 0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 1 46.201 19.010 0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 1 44.839 18.491 2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 1 45.965 17.217 2.623 1.00 0.00 H new ATOM 0 HE21 GLN A 1 46.515 18.170 4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 1 47.510 19.626 4.678 1.00 0.00 H new ATOM 18 N GLU A 2 43.604 18.052 -1.372 1.00 0.00 N ATOM 19 CA GLU A 2 42.315 18.660 -1.615 1.00 0.00 C ATOM 20 C GLU A 2 41.193 17.624 -1.569 1.00 0.00 C ATOM 21 O GLU A 2 40.958 16.900 -2.536 1.00 0.00 O ATOM 22 CB GLU A 2 42.316 19.392 -2.969 1.00 0.00 C ATOM 23 CG GLU A 2 43.452 20.416 -3.142 1.00 0.00 C ATOM 24 CD GLU A 2 44.801 19.781 -3.472 1.00 0.00 C ATOM 25 OE1 GLU A 2 45.522 19.363 -2.540 1.00 0.00 O ATOM 26 OE2 GLU A 2 45.142 19.691 -4.665 1.00 0.00 O ATOM 0 H GLU A 2 44.205 18.021 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 2 42.131 19.385 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 2 42.386 18.653 -3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 2 41.361 19.904 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 2 43.184 21.113 -3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 2 43.548 20.998 -2.225 1.00 0.00 H new ATOM 33 N HIS A 3 40.523 17.553 -0.434 1.00 0.00 N ATOM 34 CA HIS A 3 39.425 16.617 -0.234 1.00 0.00 C ATOM 35 C HIS A 3 38.093 17.339 -0.304 1.00 0.00 C ATOM 36 O HIS A 3 37.642 17.928 0.687 1.00 0.00 O ATOM 37 CB HIS A 3 39.560 15.919 1.125 1.00 0.00 C ATOM 38 CG HIS A 3 40.540 14.787 1.132 1.00 0.00 C ATOM 39 ND1 HIS A 3 41.891 14.782 1.142 1.00 0.00 N flip ATOM 40 CD2 HIS A 3 40.160 13.465 1.133 1.00 0.00 C flip ATOM 41 CE1 HIS A 3 42.292 13.474 1.151 1.00 0.00 C flip ATOM 42 NE2 HIS A 3 41.231 12.699 1.146 1.00 0.00 N flip ATOM 0 H HIS A 3 40.722 18.140 0.376 1.00 0.00 H new ATOM 0 HA HIS A 3 39.466 15.869 -1.026 1.00 0.00 H new ATOM 0 HB2 HIS A 3 39.863 16.654 1.871 1.00 0.00 H new ATOM 0 HB3 HIS A 3 38.583 15.542 1.427 1.00 0.00 H new ATOM 0 HD1 HIS A 3 42.499 15.601 1.143 1.00 0.00 H new ATOM 0 HD2 HIS A 3 39.140 13.110 1.124 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.317 13.133 1.161 1.00 0.00 H new ATOM 51 N LYS A 4 37.494 17.349 -1.486 1.00 0.00 N ATOM 52 CA LYS A 4 36.170 17.922 -1.673 1.00 0.00 C ATOM 53 C LYS A 4 35.133 17.189 -0.814 1.00 0.00 C ATOM 54 O LYS A 4 35.316 16.015 -0.473 1.00 0.00 O ATOM 55 CB LYS A 4 35.771 17.870 -3.155 1.00 0.00 C ATOM 56 CG LYS A 4 36.574 18.811 -4.041 1.00 0.00 C ATOM 57 CD LYS A 4 36.116 18.739 -5.491 1.00 0.00 C ATOM 58 CE LYS A 4 36.810 19.789 -6.351 1.00 0.00 C ATOM 59 NZ LYS A 4 38.280 19.592 -6.408 1.00 0.00 N ATOM 0 H LYS A 4 37.908 16.964 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 4 36.200 18.964 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 4 35.894 16.850 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 4 34.713 18.115 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 4 36.471 19.833 -3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 4 37.632 18.556 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 4 36.323 17.746 -5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 4 35.037 18.883 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 4 36.402 19.755 -7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 4 36.594 20.781 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 38.697 20.277 -7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 38.686 19.735 -5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 38.488 18.626 -6.732 1.00 0.00 H new ATOM 73 N PRO A 5 34.037 17.882 -0.442 1.00 0.00 N ATOM 74 CA PRO A 5 32.968 17.311 0.393 1.00 0.00 C ATOM 75 C PRO A 5 32.312 16.072 -0.233 1.00 0.00 C ATOM 76 O PRO A 5 32.536 15.746 -1.404 1.00 0.00 O ATOM 77 CB PRO A 5 31.946 18.454 0.506 1.00 0.00 C ATOM 78 CG PRO A 5 32.274 19.374 -0.619 1.00 0.00 C ATOM 79 CD PRO A 5 33.755 19.280 -0.799 1.00 0.00 C ATOM 0 HA PRO A 5 33.357 16.966 1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 5 30.925 18.080 0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 5 32.025 18.961 1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 5 31.750 19.082 -1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 5 31.971 20.396 -0.390 1.00 0.00 H new ATOM 0 HD2 PRO A 5 34.053 19.504 -1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 5 34.286 19.978 -0.152 1.00 0.00 H new ATOM 87 N LYS A 6 31.481 15.417 0.548 1.00 0.00 N ATOM 88 CA LYS A 6 30.848 14.182 0.133 1.00 0.00 C ATOM 89 C LYS A 6 29.333 14.305 0.210 1.00 0.00 C ATOM 90 O LYS A 6 28.802 14.990 1.090 1.00 0.00 O ATOM 91 CB LYS A 6 31.325 13.019 1.018 1.00 0.00 C ATOM 92 CG LYS A 6 30.728 11.661 0.646 1.00 0.00 C ATOM 93 CD LYS A 6 31.217 11.176 -0.716 1.00 0.00 C ATOM 94 CE LYS A 6 32.487 10.337 -0.604 1.00 0.00 C ATOM 95 NZ LYS A 6 33.604 11.067 0.043 1.00 0.00 N ATOM 0 H LYS A 6 31.225 15.724 1.486 1.00 0.00 H new ATOM 0 HA LYS A 6 31.129 13.982 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 6 32.411 12.954 0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 6 31.075 13.241 2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 6 30.992 10.928 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 6 29.640 11.733 0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 6 30.434 10.586 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 6 31.406 12.035 -1.360 1.00 0.00 H new ATOM 0 HE2 LYS A 6 32.271 9.434 -0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 6 32.796 10.019 -1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 34.502 10.590 -0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 33.635 12.043 -0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 33.459 11.081 1.073 1.00 0.00 H new ATOM 109 N LYS A 7 28.646 13.664 -0.715 1.00 0.00 N ATOM 110 CA LYS A 7 27.203 13.656 -0.709 1.00 0.00 C ATOM 111 C LYS A 7 26.707 12.367 -0.089 1.00 0.00 C ATOM 112 O LYS A 7 27.297 11.301 -0.287 1.00 0.00 O ATOM 113 CB LYS A 7 26.640 13.800 -2.127 1.00 0.00 C ATOM 114 CG LYS A 7 25.114 13.884 -2.182 1.00 0.00 C ATOM 115 CD LYS A 7 24.573 15.178 -1.562 1.00 0.00 C ATOM 116 CE LYS A 7 24.746 16.396 -2.476 1.00 0.00 C ATOM 117 NZ LYS A 7 26.165 16.791 -2.660 1.00 0.00 N ATOM 0 H LYS A 7 29.069 13.141 -1.482 1.00 0.00 H new ATOM 0 HA LYS A 7 26.858 14.506 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 7 27.060 14.695 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 7 26.969 12.951 -2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 7 24.787 13.818 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 7 24.687 13.028 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 7 23.515 15.050 -1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 7 25.084 15.364 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 7 24.307 16.177 -3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 7 24.192 17.237 -2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 26.223 17.820 -2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 26.711 16.527 -1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 26.556 16.303 -3.491 1.00 0.00 H new ATOM 131 N ASP A 8 25.648 12.462 0.665 1.00 0.00 N ATOM 132 CA ASP A 8 25.068 11.309 1.310 1.00 0.00 C ATOM 133 C ASP A 8 24.007 10.712 0.415 1.00 0.00 C ATOM 134 O ASP A 8 23.065 11.403 0.030 1.00 0.00 O ATOM 135 CB ASP A 8 24.436 11.717 2.633 1.00 0.00 C ATOM 136 CG ASP A 8 25.416 12.390 3.569 1.00 0.00 C ATOM 137 OD1 ASP A 8 26.201 11.680 4.229 1.00 0.00 O ATOM 138 OD2 ASP A 8 25.396 13.634 3.660 1.00 0.00 O ATOM 0 H ASP A 8 25.160 13.338 0.852 1.00 0.00 H new ATOM 0 HA ASP A 8 25.851 10.574 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 8 23.603 12.393 2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 8 24.023 10.834 3.121 1.00 0.00 H new ATOM 143 N ASP A 9 24.153 9.434 0.060 1.00 0.00 N ATOM 144 CA ASP A 9 23.176 8.758 -0.794 1.00 0.00 C ATOM 145 C ASP A 9 21.845 8.645 -0.090 1.00 0.00 C ATOM 146 O ASP A 9 20.791 8.570 -0.729 1.00 0.00 O ATOM 147 CB ASP A 9 23.670 7.354 -1.161 1.00 0.00 C ATOM 148 CG ASP A 9 25.024 7.362 -1.824 1.00 0.00 C ATOM 149 OD1 ASP A 9 26.041 7.442 -1.103 1.00 0.00 O ATOM 150 OD2 ASP A 9 25.086 7.295 -3.066 1.00 0.00 O ATOM 0 H ASP A 9 24.936 8.848 0.350 1.00 0.00 H new ATOM 0 HA ASP A 9 23.055 9.350 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 9 23.717 6.744 -0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 9 22.948 6.883 -1.828 1.00 0.00 H new ATOM 155 N PHE A 10 21.890 8.622 1.230 1.00 0.00 N ATOM 156 CA PHE A 10 20.687 8.533 2.020 1.00 0.00 C ATOM 157 C PHE A 10 20.018 9.890 2.144 1.00 0.00 C ATOM 158 O PHE A 10 20.104 10.563 3.173 1.00 0.00 O ATOM 159 CB PHE A 10 20.961 7.916 3.396 1.00 0.00 C ATOM 160 CG PHE A 10 21.223 6.437 3.338 1.00 0.00 C ATOM 161 CD1 PHE A 10 22.440 5.953 2.889 1.00 0.00 C ATOM 162 CD2 PHE A 10 20.250 5.530 3.727 1.00 0.00 C ATOM 163 CE1 PHE A 10 22.683 4.594 2.828 1.00 0.00 C ATOM 164 CE2 PHE A 10 20.486 4.169 3.670 1.00 0.00 C ATOM 165 CZ PHE A 10 21.704 3.701 3.220 1.00 0.00 C ATOM 0 H PHE A 10 22.752 8.664 1.774 1.00 0.00 H new ATOM 0 HA PHE A 10 19.998 7.867 1.500 1.00 0.00 H new ATOM 0 HB2 PHE A 10 21.820 8.414 3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 10 20.107 8.102 4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 10 23.209 6.646 2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 10 19.295 5.891 4.079 1.00 0.00 H new ATOM 0 HE1 PHE A 10 23.637 4.230 2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 10 19.719 3.473 3.977 1.00 0.00 H new ATOM 0 HZ PHE A 10 21.892 2.638 3.174 1.00 0.00 H new ATOM 175 N ARG A 11 19.401 10.303 1.059 1.00 0.00 N ATOM 176 CA ARG A 11 18.663 11.539 1.003 1.00 0.00 C ATOM 177 C ARG A 11 17.320 11.259 0.359 1.00 0.00 C ATOM 178 O ARG A 11 17.200 11.222 -0.869 1.00 0.00 O ATOM 179 CB ARG A 11 19.433 12.600 0.199 1.00 0.00 C ATOM 180 CG ARG A 11 18.805 13.988 0.240 1.00 0.00 C ATOM 181 CD ARG A 11 18.836 14.566 1.647 1.00 0.00 C ATOM 182 NE ARG A 11 18.198 15.885 1.722 1.00 0.00 N ATOM 183 CZ ARG A 11 18.248 16.686 2.793 1.00 0.00 C ATOM 184 NH1 ARG A 11 18.937 16.318 3.870 1.00 0.00 N ATOM 185 NH2 ARG A 11 17.619 17.856 2.782 1.00 0.00 N ATOM 0 H ARG A 11 19.399 9.782 0.182 1.00 0.00 H new ATOM 0 HA ARG A 11 18.522 11.930 2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 11 20.452 12.662 0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 11 19.502 12.275 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 11 19.339 14.652 -0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 11 17.774 13.934 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 11 18.332 13.882 2.329 1.00 0.00 H new ATOM 0 HD3 ARG A 11 19.870 14.646 1.982 1.00 0.00 H new ATOM 0 HE ARG A 11 17.683 16.213 0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.428 15.424 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.974 16.930 4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.096 18.146 1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.659 18.464 3.600 1.00 0.00 H new ATOM 199 N ASN A 12 16.330 11.019 1.181 1.00 0.00 N ATOM 200 CA ASN A 12 15.009 10.674 0.697 1.00 0.00 C ATOM 201 C ASN A 12 13.998 11.739 1.100 1.00 0.00 C ATOM 202 O ASN A 12 14.228 12.498 2.044 1.00 0.00 O ATOM 203 CB ASN A 12 14.607 9.286 1.230 1.00 0.00 C ATOM 204 CG ASN A 12 13.257 8.815 0.725 1.00 0.00 C ATOM 205 OD1 ASN A 12 12.243 8.967 1.399 1.00 0.00 O ATOM 206 ND2 ASN A 12 13.236 8.258 -0.469 1.00 0.00 N ATOM 0 H ASN A 12 16.411 11.056 2.197 1.00 0.00 H new ATOM 0 HA ASN A 12 15.024 10.632 -0.392 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.368 8.560 0.942 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.589 9.314 2.319 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.354 7.935 -0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 12 14.102 8.150 -0.997 1.00 0.00 H new ATOM 213 N GLU A 13 12.902 11.808 0.369 1.00 0.00 N ATOM 214 CA GLU A 13 11.862 12.786 0.620 1.00 0.00 C ATOM 215 C GLU A 13 11.068 12.457 1.889 1.00 0.00 C ATOM 216 O GLU A 13 10.336 11.464 1.963 1.00 0.00 O ATOM 217 CB GLU A 13 10.944 12.906 -0.605 1.00 0.00 C ATOM 218 CG GLU A 13 10.406 11.575 -1.117 1.00 0.00 C ATOM 219 CD GLU A 13 9.987 11.641 -2.565 1.00 0.00 C ATOM 220 OE1 GLU A 13 8.891 12.143 -2.850 1.00 0.00 O ATOM 221 OE2 GLU A 13 10.775 11.202 -3.434 1.00 0.00 O ATOM 0 H GLU A 13 12.708 11.187 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 13 12.337 13.752 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.103 13.552 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.493 13.397 -1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.171 10.807 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.554 11.273 -0.509 1.00 0.00 H new ATOM 228 N PHE A 14 11.241 13.301 2.887 1.00 0.00 N ATOM 229 CA PHE A 14 10.537 13.193 4.153 1.00 0.00 C ATOM 230 C PHE A 14 9.913 14.538 4.479 1.00 0.00 C ATOM 231 O PHE A 14 9.547 14.814 5.621 1.00 0.00 O ATOM 232 CB PHE A 14 11.490 12.776 5.282 1.00 0.00 C ATOM 233 CG PHE A 14 12.085 11.404 5.120 1.00 0.00 C ATOM 234 CD1 PHE A 14 11.284 10.274 5.180 1.00 0.00 C ATOM 235 CD2 PHE A 14 13.445 11.246 4.912 1.00 0.00 C ATOM 236 CE1 PHE A 14 11.830 9.013 5.036 1.00 0.00 C ATOM 237 CE2 PHE A 14 13.997 9.987 4.768 1.00 0.00 C ATOM 238 CZ PHE A 14 13.189 8.870 4.829 1.00 0.00 C ATOM 0 H PHE A 14 11.883 14.092 2.842 1.00 0.00 H new ATOM 0 HA PHE A 14 9.766 12.428 4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 14 12.299 13.504 5.345 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.951 12.815 6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.221 10.381 5.341 1.00 0.00 H new ATOM 0 HD2 PHE A 14 14.082 12.117 4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.196 8.140 5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 14 15.059 9.878 4.608 1.00 0.00 H new ATOM 0 HZ PHE A 14 13.618 7.885 4.715 1.00 0.00 H new ATOM 248 N ASP A 15 9.792 15.365 3.442 1.00 0.00 N ATOM 249 CA ASP A 15 9.264 16.730 3.549 1.00 0.00 C ATOM 250 C ASP A 15 7.870 16.757 4.176 1.00 0.00 C ATOM 251 O ASP A 15 7.503 17.724 4.834 1.00 0.00 O ATOM 252 CB ASP A 15 9.230 17.381 2.164 1.00 0.00 C ATOM 253 CG ASP A 15 10.586 17.379 1.483 1.00 0.00 C ATOM 254 OD1 ASP A 15 11.009 16.310 0.990 1.00 0.00 O ATOM 255 OD2 ASP A 15 11.239 18.443 1.437 1.00 0.00 O ATOM 0 H ASP A 15 10.060 15.106 2.492 1.00 0.00 H new ATOM 0 HA ASP A 15 9.928 17.293 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.512 16.853 1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.877 18.408 2.258 1.00 0.00 H new ATOM 260 N HIS A 16 7.102 15.691 3.951 1.00 0.00 N ATOM 261 CA HIS A 16 5.750 15.538 4.519 1.00 0.00 C ATOM 262 C HIS A 16 4.725 16.483 3.893 1.00 0.00 C ATOM 263 O HIS A 16 4.000 17.178 4.601 1.00 0.00 O ATOM 264 CB HIS A 16 5.744 15.689 6.053 1.00 0.00 C ATOM 265 CG HIS A 16 6.484 14.613 6.783 1.00 0.00 C ATOM 266 ND1 HIS A 16 7.317 14.867 7.844 1.00 0.00 N ATOM 267 CD2 HIS A 16 6.498 13.269 6.612 1.00 0.00 C ATOM 268 CE1 HIS A 16 7.815 13.734 8.293 1.00 0.00 C ATOM 269 NE2 HIS A 16 7.336 12.745 7.567 1.00 0.00 N ATOM 0 H HIS A 16 7.394 14.905 3.370 1.00 0.00 H new ATOM 0 HA HIS A 16 5.449 14.520 4.270 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.180 16.654 6.313 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.711 15.703 6.401 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.952 12.713 5.864 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.502 13.632 9.120 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.551 11.756 7.692 1.00 0.00 H new ATOM 278 N LEU A 17 4.670 16.522 2.579 1.00 0.00 N ATOM 279 CA LEU A 17 3.685 17.353 1.891 1.00 0.00 C ATOM 280 C LEU A 17 2.657 16.468 1.222 1.00 0.00 C ATOM 281 O LEU A 17 2.854 15.277 1.127 1.00 0.00 O ATOM 282 CB LEU A 17 4.336 18.289 0.860 1.00 0.00 C ATOM 283 CG LEU A 17 4.950 19.592 1.395 1.00 0.00 C ATOM 284 CD1 LEU A 17 3.941 20.366 2.225 1.00 0.00 C ATOM 285 CD2 LEU A 17 6.211 19.320 2.194 1.00 0.00 C ATOM 0 H LEU A 17 5.288 15.995 1.962 1.00 0.00 H new ATOM 0 HA LEU A 17 3.200 17.985 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.118 17.733 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.584 18.549 0.115 1.00 0.00 H new ATOM 0 HG LEU A 17 5.226 20.205 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.400 21.284 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.077 20.614 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.621 19.757 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.621 20.262 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.973 18.676 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.946 18.827 1.558 1.00 0.00 H new ATOM 297 N LEU A 18 1.581 17.065 0.743 1.00 0.00 N ATOM 298 CA LEU A 18 0.471 16.319 0.134 1.00 0.00 C ATOM 299 C LEU A 18 0.955 15.334 -0.947 1.00 0.00 C ATOM 300 O LEU A 18 0.878 14.106 -0.771 1.00 0.00 O ATOM 301 CB LEU A 18 -0.580 17.293 -0.446 1.00 0.00 C ATOM 302 CG LEU A 18 -1.450 18.066 0.576 1.00 0.00 C ATOM 303 CD1 LEU A 18 -0.606 18.975 1.462 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.511 18.881 -0.140 1.00 0.00 C ATOM 0 H LEU A 18 1.442 18.075 0.760 1.00 0.00 H new ATOM 0 HA LEU A 18 0.007 15.726 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.062 18.020 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.244 16.727 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.934 17.328 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.252 19.500 2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.118 18.375 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.080 19.701 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.113 19.418 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.031 19.596 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.152 18.216 -0.719 1.00 0.00 H new ATOM 316 N ILE A 19 1.472 15.865 -2.038 1.00 0.00 N ATOM 317 CA ILE A 19 1.951 15.028 -3.128 1.00 0.00 C ATOM 318 C ILE A 19 3.192 14.238 -2.710 1.00 0.00 C ATOM 319 O ILE A 19 3.367 13.096 -3.118 1.00 0.00 O ATOM 320 CB ILE A 19 2.221 15.863 -4.413 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.898 16.366 -4.989 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.966 15.048 -5.465 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.021 15.251 -5.452 1.00 0.00 C ATOM 0 H ILE A 19 1.572 16.868 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 19 1.163 14.313 -3.364 1.00 0.00 H new ATOM 0 HB ILE A 19 2.850 16.710 -4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.384 16.960 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.105 17.029 -5.829 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.137 15.663 -6.348 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.923 14.720 -5.060 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.371 14.177 -5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.941 15.679 -5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.475 14.671 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.257 14.601 -4.610 1.00 0.00 H new ATOM 335 N GLU A 20 4.023 14.834 -1.862 1.00 0.00 N ATOM 336 CA GLU A 20 5.228 14.157 -1.374 1.00 0.00 C ATOM 337 C GLU A 20 4.853 12.886 -0.601 1.00 0.00 C ATOM 338 O GLU A 20 5.523 11.864 -0.707 1.00 0.00 O ATOM 339 CB GLU A 20 6.051 15.083 -0.471 1.00 0.00 C ATOM 340 CG GLU A 20 6.413 16.421 -1.102 1.00 0.00 C ATOM 341 CD GLU A 20 7.215 16.284 -2.370 1.00 0.00 C ATOM 342 OE1 GLU A 20 8.458 16.161 -2.291 1.00 0.00 O ATOM 343 OE2 GLU A 20 6.611 16.319 -3.455 1.00 0.00 O ATOM 0 H GLU A 20 3.890 15.777 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 20 5.832 13.886 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.491 15.267 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.969 14.570 -0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.498 16.973 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.981 17.012 -0.383 1.00 0.00 H new ATOM 350 N GLN A 21 3.768 12.960 0.169 1.00 0.00 N ATOM 351 CA GLN A 21 3.298 11.822 0.947 1.00 0.00 C ATOM 352 C GLN A 21 2.708 10.755 0.047 1.00 0.00 C ATOM 353 O GLN A 21 2.787 9.558 0.339 1.00 0.00 O ATOM 354 CB GLN A 21 2.271 12.248 1.997 1.00 0.00 C ATOM 355 CG GLN A 21 2.850 13.071 3.140 1.00 0.00 C ATOM 356 CD GLN A 21 3.937 12.337 3.896 1.00 0.00 C ATOM 357 OE1 GLN A 21 5.121 12.443 3.570 1.00 0.00 O ATOM 358 NE2 GLN A 21 3.544 11.593 4.907 1.00 0.00 N ATOM 0 H GLN A 21 3.199 13.800 0.269 1.00 0.00 H new ATOM 0 HA GLN A 21 4.162 11.405 1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.487 12.827 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.799 11.356 2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.254 14.002 2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.050 13.339 3.831 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.553 11.534 5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.230 11.075 5.456 1.00 0.00 H new ATOM 367 N ALA A 22 2.141 11.194 -1.073 1.00 0.00 N ATOM 368 CA ALA A 22 1.534 10.280 -2.023 1.00 0.00 C ATOM 369 C ALA A 22 2.622 9.568 -2.806 1.00 0.00 C ATOM 370 O ALA A 22 2.601 8.346 -2.982 1.00 0.00 O ATOM 371 CB ALA A 22 0.602 11.034 -2.965 1.00 0.00 C ATOM 0 H ALA A 22 2.091 12.177 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 22 0.943 9.541 -1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.155 10.335 -3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.185 11.519 -2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.169 11.788 -3.511 1.00 0.00 H new ATOM 377 N ASN A 23 3.592 10.361 -3.245 1.00 0.00 N ATOM 378 CA ASN A 23 4.746 9.866 -3.983 1.00 0.00 C ATOM 379 C ASN A 23 5.554 8.921 -3.125 1.00 0.00 C ATOM 380 O ASN A 23 6.067 7.910 -3.603 1.00 0.00 O ATOM 381 CB ASN A 23 5.639 11.018 -4.452 1.00 0.00 C ATOM 382 CG ASN A 23 5.108 11.728 -5.682 1.00 0.00 C ATOM 383 OD1 ASN A 23 3.903 11.782 -5.920 1.00 0.00 O ATOM 384 ND2 ASN A 23 6.010 12.277 -6.470 1.00 0.00 N ATOM 0 H ASN A 23 3.600 11.370 -3.098 1.00 0.00 H new ATOM 0 HA ASN A 23 4.375 9.334 -4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.744 11.740 -3.642 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.636 10.632 -4.666 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.718 12.770 -7.314 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.001 12.209 -6.236 1.00 0.00 H new ATOM 391 N HIS A 24 5.660 9.241 -1.849 1.00 0.00 N ATOM 392 CA HIS A 24 6.403 8.413 -0.933 1.00 0.00 C ATOM 393 C HIS A 24 5.710 7.069 -0.749 1.00 0.00 C ATOM 394 O HIS A 24 6.361 6.024 -0.757 1.00 0.00 O ATOM 395 CB HIS A 24 6.583 9.104 0.421 1.00 0.00 C ATOM 396 CG HIS A 24 7.761 8.612 1.197 1.00 0.00 C ATOM 397 ND1 HIS A 24 7.665 8.048 2.449 1.00 0.00 N ATOM 398 CD2 HIS A 24 9.076 8.628 0.896 1.00 0.00 C ATOM 399 CE1 HIS A 24 8.872 7.743 2.883 1.00 0.00 C ATOM 400 NE2 HIS A 24 9.746 8.086 1.957 1.00 0.00 N ATOM 0 H HIS A 24 5.239 10.069 -1.428 1.00 0.00 H new ATOM 0 HA HIS A 24 7.391 8.246 -1.361 1.00 0.00 H new ATOM 0 HB2 HIS A 24 6.688 10.177 0.260 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.681 8.958 1.016 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.518 9.001 -0.016 1.00 0.00 H new ATOM 0 HE1 HIS A 24 9.105 7.289 3.835 1.00 0.00 H new ATOM 0 HE2 HIS A 24 10.757 7.966 2.022 1.00 0.00 H new ATOM 409 N ALA A 25 4.387 7.094 -0.579 1.00 0.00 N ATOM 410 CA ALA A 25 3.613 5.872 -0.396 1.00 0.00 C ATOM 411 C ALA A 25 3.715 4.937 -1.598 1.00 0.00 C ATOM 412 O ALA A 25 3.908 3.735 -1.430 1.00 0.00 O ATOM 413 CB ALA A 25 2.157 6.210 -0.116 1.00 0.00 C ATOM 0 H ALA A 25 3.832 7.949 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 25 4.036 5.346 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.589 5.289 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.091 6.813 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.746 6.770 -0.956 1.00 0.00 H new ATOM 419 N ILE A 26 3.594 5.481 -2.808 1.00 0.00 N ATOM 420 CA ILE A 26 3.657 4.652 -4.012 1.00 0.00 C ATOM 421 C ILE A 26 5.057 4.071 -4.224 1.00 0.00 C ATOM 422 O ILE A 26 5.203 2.974 -4.765 1.00 0.00 O ATOM 423 CB ILE A 26 3.185 5.400 -5.291 1.00 0.00 C ATOM 424 CG1 ILE A 26 4.030 6.652 -5.539 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.706 5.758 -5.175 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.666 7.397 -6.809 1.00 0.00 C ATOM 0 H ILE A 26 3.454 6.476 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 26 2.959 3.832 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 26 3.317 4.737 -6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.921 7.326 -4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.081 6.366 -5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.387 6.281 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.119 4.847 -5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.554 6.402 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.308 8.271 -6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.803 6.740 -7.668 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.625 7.716 -6.758 1.00 0.00 H new ATOM 438 N GLU A 27 6.082 4.807 -3.802 1.00 0.00 N ATOM 439 CA GLU A 27 7.454 4.315 -3.893 1.00 0.00 C ATOM 440 C GLU A 27 7.615 3.138 -2.933 1.00 0.00 C ATOM 441 O GLU A 27 8.142 2.080 -3.302 1.00 0.00 O ATOM 442 CB GLU A 27 8.451 5.431 -3.516 1.00 0.00 C ATOM 443 CG GLU A 27 9.871 5.258 -4.083 1.00 0.00 C ATOM 444 CD GLU A 27 10.553 3.960 -3.672 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.637 3.676 -2.456 1.00 0.00 O ATOM 446 OE2 GLU A 27 11.022 3.223 -4.572 1.00 0.00 O ATOM 0 H GLU A 27 5.990 5.739 -3.397 1.00 0.00 H new ATOM 0 HA GLU A 27 7.660 3.998 -4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.052 6.385 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.515 5.488 -2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.824 5.302 -5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.485 6.097 -3.757 1.00 0.00 H new ATOM 453 N LYS A 28 7.117 3.312 -1.713 1.00 0.00 N ATOM 454 CA LYS A 28 7.209 2.277 -0.700 1.00 0.00 C ATOM 455 C LYS A 28 6.391 1.062 -1.112 1.00 0.00 C ATOM 456 O LYS A 28 6.853 -0.078 -0.998 1.00 0.00 O ATOM 457 CB LYS A 28 6.721 2.804 0.651 1.00 0.00 C ATOM 458 CG LYS A 28 6.900 1.819 1.793 1.00 0.00 C ATOM 459 CD LYS A 28 6.370 2.381 3.100 1.00 0.00 C ATOM 460 CE LYS A 28 6.697 1.463 4.267 1.00 0.00 C ATOM 461 NZ LYS A 28 8.161 1.365 4.500 1.00 0.00 N ATOM 0 H LYS A 28 6.646 4.163 -1.406 1.00 0.00 H new ATOM 0 HA LYS A 28 8.254 1.983 -0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.258 3.722 0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.666 3.064 0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.381 0.890 1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.957 1.575 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.802 3.366 3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.290 2.514 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.210 1.834 5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.293 0.470 4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.336 0.996 5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.582 0.723 3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.591 2.308 4.408 1.00 0.00 H new ATOM 475 N GLY A 29 5.176 1.317 -1.596 1.00 0.00 N ATOM 476 CA GLY A 29 4.313 0.253 -2.060 1.00 0.00 C ATOM 477 C GLY A 29 4.954 -0.551 -3.164 1.00 0.00 C ATOM 478 O GLY A 29 4.868 -1.769 -3.189 1.00 0.00 O ATOM 0 H GLY A 29 4.776 2.252 -1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.068 -0.405 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.375 0.677 -2.417 1.00 0.00 H new ATOM 482 N GLU A 30 5.622 0.146 -4.069 1.00 0.00 N ATOM 483 CA GLU A 30 6.303 -0.494 -5.177 1.00 0.00 C ATOM 484 C GLU A 30 7.405 -1.416 -4.662 1.00 0.00 C ATOM 485 O GLU A 30 7.583 -2.532 -5.148 1.00 0.00 O ATOM 486 CB GLU A 30 6.864 0.555 -6.137 1.00 0.00 C ATOM 487 CG GLU A 30 7.619 -0.028 -7.317 1.00 0.00 C ATOM 488 CD GLU A 30 7.963 1.010 -8.357 1.00 0.00 C ATOM 489 OE1 GLU A 30 8.479 2.080 -7.987 1.00 0.00 O ATOM 490 OE2 GLU A 30 7.727 0.754 -9.553 1.00 0.00 O ATOM 0 H GLU A 30 5.706 1.162 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 30 5.584 -1.102 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.043 1.166 -6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.530 1.218 -5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.536 -0.497 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.017 -0.812 -7.777 1.00 0.00 H new ATOM 497 N HIS A 31 8.112 -0.943 -3.638 1.00 0.00 N ATOM 498 CA HIS A 31 9.207 -1.687 -3.032 1.00 0.00 C ATOM 499 C HIS A 31 8.705 -2.971 -2.383 1.00 0.00 C ATOM 500 O HIS A 31 9.223 -4.052 -2.642 1.00 0.00 O ATOM 501 CB HIS A 31 9.918 -0.826 -1.978 1.00 0.00 C ATOM 502 CG HIS A 31 11.257 -0.304 -2.401 1.00 0.00 C ATOM 503 ND1 HIS A 31 11.522 1.034 -2.604 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.426 -0.949 -2.622 1.00 0.00 C ATOM 505 CE1 HIS A 31 12.787 1.186 -2.926 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.358 0.001 -2.945 1.00 0.00 N ATOM 0 H HIS A 31 7.940 -0.034 -3.208 1.00 0.00 H new ATOM 0 HA HIS A 31 9.910 -1.947 -3.823 1.00 0.00 H new ATOM 0 HB2 HIS A 31 9.277 0.018 -1.725 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.043 -1.416 -1.070 1.00 0.00 H new ATOM 0 HD1 HIS A 31 10.841 1.789 -2.518 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.593 -2.014 -2.556 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.275 2.125 -3.139 1.00 0.00 H new ATOM 515 N GLN A 32 7.685 -2.841 -1.549 1.00 0.00 N ATOM 516 CA GLN A 32 7.135 -3.988 -0.836 1.00 0.00 C ATOM 517 C GLN A 32 6.393 -4.931 -1.783 1.00 0.00 C ATOM 518 O GLN A 32 6.351 -6.137 -1.544 1.00 0.00 O ATOM 519 CB GLN A 32 6.241 -3.531 0.348 1.00 0.00 C ATOM 520 CG GLN A 32 4.972 -2.760 -0.031 1.00 0.00 C ATOM 521 CD GLN A 32 3.821 -3.647 -0.521 1.00 0.00 C ATOM 522 OE1 GLN A 32 3.010 -3.226 -1.335 1.00 0.00 O ATOM 523 NE2 GLN A 32 3.738 -4.871 -0.015 1.00 0.00 N ATOM 0 H GLN A 32 7.221 -1.955 -1.348 1.00 0.00 H new ATOM 0 HA GLN A 32 7.967 -4.552 -0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.950 -4.412 0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.840 -2.905 1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.634 -2.191 0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.218 -2.039 -0.811 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.431 -5.191 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.982 -5.492 -0.303 1.00 0.00 H new ATOM 532 N LEU A 33 5.830 -4.397 -2.861 1.00 0.00 N ATOM 533 CA LEU A 33 5.120 -5.222 -3.827 1.00 0.00 C ATOM 534 C LEU A 33 6.092 -6.131 -4.560 1.00 0.00 C ATOM 535 O LEU A 33 5.887 -7.340 -4.615 1.00 0.00 O ATOM 536 CB LEU A 33 4.314 -4.346 -4.817 1.00 0.00 C ATOM 537 CG LEU A 33 3.423 -5.086 -5.854 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.228 -5.507 -7.079 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.742 -6.302 -5.226 1.00 0.00 C ATOM 0 H LEU A 33 5.852 -3.402 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 33 4.408 -5.849 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.676 -3.680 -4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.018 -3.718 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 33 2.652 -4.386 -6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.575 -6.022 -7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.653 -4.624 -7.556 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.032 -6.177 -6.774 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.125 -6.800 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.500 -6.995 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.115 -5.979 -4.395 1.00 0.00 H new ATOM 551 N LEU A 34 7.170 -5.558 -5.094 1.00 0.00 N ATOM 552 CA LEU A 34 8.150 -6.351 -5.829 1.00 0.00 C ATOM 553 C LEU A 34 8.860 -7.314 -4.885 1.00 0.00 C ATOM 554 O LEU A 34 9.265 -8.412 -5.274 1.00 0.00 O ATOM 555 CB LEU A 34 9.155 -5.443 -6.585 1.00 0.00 C ATOM 556 CG LEU A 34 10.025 -4.486 -5.740 1.00 0.00 C ATOM 557 CD1 LEU A 34 11.256 -5.194 -5.185 1.00 0.00 C ATOM 558 CD2 LEU A 34 10.437 -3.277 -6.563 1.00 0.00 C ATOM 0 H LEU A 34 7.384 -4.563 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 34 7.626 -6.940 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.822 -6.085 -7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.594 -4.843 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 34 9.424 -4.150 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.845 -4.491 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.944 -6.025 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.861 -5.573 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.049 -2.613 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.011 -3.605 -7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.547 -2.744 -6.898 1.00 0.00 H new ATOM 570 N TYR A 35 8.978 -6.894 -3.632 1.00 0.00 N ATOM 571 CA TYR A 35 9.620 -7.691 -2.612 1.00 0.00 C ATOM 572 C TYR A 35 8.776 -8.914 -2.281 1.00 0.00 C ATOM 573 O TYR A 35 9.236 -10.053 -2.390 1.00 0.00 O ATOM 574 CB TYR A 35 9.896 -6.867 -1.352 1.00 0.00 C ATOM 575 CG TYR A 35 10.487 -7.677 -0.219 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.771 -8.200 -0.305 1.00 0.00 C ATOM 577 CD2 TYR A 35 9.758 -7.923 0.931 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.307 -8.946 0.727 1.00 0.00 C ATOM 579 CE2 TYR A 35 10.283 -8.664 1.967 1.00 0.00 C ATOM 580 CZ TYR A 35 11.556 -9.175 1.860 1.00 0.00 C ATOM 581 OH TYR A 35 12.081 -9.918 2.894 1.00 0.00 O ATOM 0 H TYR A 35 8.631 -5.994 -3.302 1.00 0.00 H new ATOM 0 HA TYR A 35 10.580 -8.027 -3.005 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.578 -6.054 -1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.965 -6.410 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.360 -8.021 -1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.757 -7.526 1.018 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.307 -9.347 0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.699 -8.843 2.858 1.00 0.00 H new ATOM 0 HH TYR A 35 11.423 -9.984 3.617 1.00 0.00 H new ATOM 591 N LEU A 36 7.523 -8.669 -1.882 1.00 0.00 N ATOM 592 CA LEU A 36 6.597 -9.729 -1.523 1.00 0.00 C ATOM 593 C LEU A 36 6.301 -10.617 -2.725 1.00 0.00 C ATOM 594 O LEU A 36 6.096 -11.818 -2.580 1.00 0.00 O ATOM 595 CB LEU A 36 5.302 -9.114 -0.946 1.00 0.00 C ATOM 596 CG LEU A 36 4.304 -10.083 -0.294 1.00 0.00 C ATOM 597 CD1 LEU A 36 3.471 -9.354 0.745 1.00 0.00 C ATOM 598 CD2 LEU A 36 3.389 -10.712 -1.338 1.00 0.00 C ATOM 0 H LEU A 36 7.131 -7.731 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 36 7.053 -10.358 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.583 -8.366 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.788 -8.588 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 36 4.872 -10.878 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.767 -10.050 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.126 -8.944 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.921 -8.543 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.693 -11.393 -0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.830 -9.929 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.988 -11.264 -2.062 1.00 0.00 H new ATOM 610 N GLN A 37 6.282 -10.018 -3.913 1.00 0.00 N ATOM 611 CA GLN A 37 6.033 -10.767 -5.136 1.00 0.00 C ATOM 612 C GLN A 37 7.101 -11.844 -5.313 1.00 0.00 C ATOM 613 O GLN A 37 6.809 -12.961 -5.743 1.00 0.00 O ATOM 614 CB GLN A 37 6.018 -9.834 -6.347 1.00 0.00 C ATOM 615 CG GLN A 37 5.542 -10.498 -7.623 1.00 0.00 C ATOM 616 CD GLN A 37 5.525 -9.549 -8.796 1.00 0.00 C ATOM 617 OE1 GLN A 37 6.515 -9.415 -9.514 1.00 0.00 O ATOM 618 NE2 GLN A 37 4.404 -8.887 -9.002 1.00 0.00 N ATOM 0 H GLN A 37 6.436 -9.019 -4.052 1.00 0.00 H new ATOM 0 HA GLN A 37 5.056 -11.243 -5.059 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.374 -8.982 -6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.023 -9.442 -6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.191 -11.343 -7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.540 -10.898 -7.469 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.607 -9.029 -8.382 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.334 -8.233 -9.782 1.00 0.00 H new ATOM 627 N HIS A 38 8.337 -11.501 -4.960 1.00 0.00 N ATOM 628 CA HIS A 38 9.434 -12.451 -5.013 1.00 0.00 C ATOM 629 C HIS A 38 9.197 -13.560 -3.991 1.00 0.00 C ATOM 630 O HIS A 38 9.403 -14.741 -4.280 1.00 0.00 O ATOM 631 CB HIS A 38 10.767 -11.753 -4.740 1.00 0.00 C ATOM 632 CG HIS A 38 11.943 -12.593 -5.105 1.00 0.00 C ATOM 633 ND1 HIS A 38 12.334 -13.683 -4.376 1.00 0.00 N ATOM 634 CD2 HIS A 38 12.793 -12.522 -6.154 1.00 0.00 C ATOM 635 CE1 HIS A 38 13.358 -14.248 -4.954 1.00 0.00 C ATOM 636 NE2 HIS A 38 13.663 -13.568 -6.037 1.00 0.00 N ATOM 0 H HIS A 38 8.600 -10.571 -4.635 1.00 0.00 H new ATOM 0 HA HIS A 38 9.478 -12.885 -6.012 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.805 -10.819 -5.301 1.00 0.00 H new ATOM 0 HB3 HIS A 38 10.826 -11.492 -3.683 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.785 -11.778 -6.937 1.00 0.00 H new ATOM 0 HE1 HIS A 38 13.871 -15.130 -4.601 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.423 -13.785 -6.682 1.00 0.00 H new ATOM 645 N GLN A 39 8.777 -13.167 -2.788 1.00 0.00 N ATOM 646 CA GLN A 39 8.442 -14.125 -1.734 1.00 0.00 C ATOM 647 C GLN A 39 7.365 -15.092 -2.214 1.00 0.00 C ATOM 648 O GLN A 39 7.458 -16.299 -2.010 1.00 0.00 O ATOM 649 CB GLN A 39 7.962 -13.405 -0.473 1.00 0.00 C ATOM 650 CG GLN A 39 8.945 -12.389 0.079 1.00 0.00 C ATOM 651 CD GLN A 39 8.443 -11.740 1.350 1.00 0.00 C ATOM 652 OE1 GLN A 39 7.742 -10.730 1.313 1.00 0.00 O ATOM 653 NE2 GLN A 39 8.800 -12.311 2.485 1.00 0.00 N ATOM 0 H GLN A 39 8.661 -12.190 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 39 9.345 -14.686 -1.494 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.021 -12.900 -0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.753 -14.147 0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.899 -12.878 0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.130 -11.620 -0.671 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.383 -13.148 2.474 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.493 -11.915 3.374 1.00 0.00 H new ATOM 662 N LEU A 40 6.325 -14.530 -2.836 1.00 0.00 N ATOM 663 CA LEU A 40 5.230 -15.299 -3.411 1.00 0.00 C ATOM 664 C LEU A 40 5.760 -16.374 -4.359 1.00 0.00 C ATOM 665 O LEU A 40 5.330 -17.534 -4.302 1.00 0.00 O ATOM 666 CB LEU A 40 4.255 -14.336 -4.135 1.00 0.00 C ATOM 667 CG LEU A 40 2.978 -14.945 -4.747 1.00 0.00 C ATOM 668 CD1 LEU A 40 3.255 -15.555 -6.115 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.374 -15.981 -3.806 1.00 0.00 C ATOM 0 H LEU A 40 6.223 -13.522 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 40 4.690 -15.812 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.954 -13.566 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.805 -13.837 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 40 2.256 -14.140 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.334 -15.976 -6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.628 -14.783 -6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.002 -16.343 -6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.473 -16.400 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.096 -16.778 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.120 -15.507 -2.858 1.00 0.00 H new ATOM 681 N ASP A 41 6.691 -15.991 -5.225 1.00 0.00 N ATOM 682 CA ASP A 41 7.309 -16.934 -6.158 1.00 0.00 C ATOM 683 C ASP A 41 7.967 -18.064 -5.390 1.00 0.00 C ATOM 684 O ASP A 41 7.854 -19.236 -5.755 1.00 0.00 O ATOM 685 CB ASP A 41 8.353 -16.222 -7.029 1.00 0.00 C ATOM 686 CG ASP A 41 9.156 -17.183 -7.891 1.00 0.00 C ATOM 687 OD1 ASP A 41 10.157 -17.750 -7.390 1.00 0.00 O ATOM 688 OD2 ASP A 41 8.801 -17.366 -9.071 1.00 0.00 O ATOM 0 H ASP A 41 7.037 -15.034 -5.303 1.00 0.00 H new ATOM 0 HA ASP A 41 6.532 -17.342 -6.805 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.851 -15.498 -7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.033 -15.661 -6.388 1.00 0.00 H new ATOM 693 N GLU A 42 8.625 -17.701 -4.303 1.00 0.00 N ATOM 694 CA GLU A 42 9.309 -18.655 -3.469 1.00 0.00 C ATOM 695 C GLU A 42 8.315 -19.600 -2.795 1.00 0.00 C ATOM 696 O GLU A 42 8.585 -20.793 -2.658 1.00 0.00 O ATOM 697 CB GLU A 42 10.179 -17.937 -2.436 1.00 0.00 C ATOM 698 CG GLU A 42 11.065 -18.868 -1.634 1.00 0.00 C ATOM 699 CD GLU A 42 12.162 -18.140 -0.900 1.00 0.00 C ATOM 700 OE1 GLU A 42 12.973 -17.463 -1.563 1.00 0.00 O ATOM 701 OE2 GLU A 42 12.246 -18.270 0.338 1.00 0.00 O ATOM 0 H GLU A 42 8.696 -16.736 -3.980 1.00 0.00 H new ATOM 0 HA GLU A 42 9.962 -19.258 -4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.804 -17.205 -2.947 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.535 -17.384 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.454 -19.415 -0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.509 -19.606 -2.302 1.00 0.00 H new ATOM 708 N LEU A 43 7.153 -19.077 -2.392 1.00 0.00 N ATOM 709 CA LEU A 43 6.118 -19.883 -1.753 1.00 0.00 C ATOM 710 C LEU A 43 5.565 -20.913 -2.730 1.00 0.00 C ATOM 711 O LEU A 43 5.162 -21.992 -2.332 1.00 0.00 O ATOM 712 CB LEU A 43 4.984 -18.975 -1.258 1.00 0.00 C ATOM 713 CG LEU A 43 3.828 -19.681 -0.540 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.281 -20.247 0.787 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.656 -18.737 -0.355 1.00 0.00 C ATOM 0 H LEU A 43 6.908 -18.093 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 43 6.558 -20.408 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.408 -18.233 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.579 -18.433 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 43 3.499 -20.512 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.443 -20.743 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.082 -20.968 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.646 -19.439 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.847 -19.258 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.970 -17.880 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.308 -18.394 -1.329 1.00 0.00 H new ATOM 727 N ASN A 44 5.550 -20.562 -4.016 1.00 0.00 N ATOM 728 CA ASN A 44 5.071 -21.471 -5.061 1.00 0.00 C ATOM 729 C ASN A 44 5.883 -22.746 -5.070 1.00 0.00 C ATOM 730 O ASN A 44 5.361 -23.832 -5.310 1.00 0.00 O ATOM 731 CB ASN A 44 5.137 -20.800 -6.436 1.00 0.00 C ATOM 732 CG ASN A 44 3.877 -20.038 -6.784 1.00 0.00 C ATOM 733 OD1 ASN A 44 2.955 -20.586 -7.381 1.00 0.00 O ATOM 734 ND2 ASN A 44 3.823 -18.776 -6.410 1.00 0.00 N ATOM 0 H ASN A 44 5.864 -19.655 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 44 4.032 -21.717 -4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.986 -20.117 -6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.317 -21.560 -7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.994 -18.218 -6.615 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.610 -18.356 -5.915 1.00 0.00 H new ATOM 741 N GLU A 45 7.159 -22.608 -4.803 1.00 0.00 N ATOM 742 CA GLU A 45 8.039 -23.744 -4.761 1.00 0.00 C ATOM 743 C GLU A 45 8.105 -24.350 -3.365 1.00 0.00 C ATOM 744 O GLU A 45 8.113 -25.571 -3.213 1.00 0.00 O ATOM 745 CB GLU A 45 9.441 -23.365 -5.241 1.00 0.00 C ATOM 746 CG GLU A 45 10.447 -24.490 -5.096 1.00 0.00 C ATOM 747 CD GLU A 45 11.768 -24.190 -5.750 1.00 0.00 C ATOM 748 OE1 GLU A 45 12.464 -23.260 -5.300 1.00 0.00 O ATOM 749 OE2 GLU A 45 12.121 -24.886 -6.722 1.00 0.00 O ATOM 0 H GLU A 45 7.610 -21.714 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 45 7.630 -24.497 -5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.391 -23.064 -6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.789 -22.500 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.610 -24.689 -4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.031 -25.399 -5.531 1.00 0.00 H new ATOM 756 N ASN A 46 8.132 -23.506 -2.340 1.00 0.00 N ATOM 757 CA ASN A 46 8.303 -23.978 -0.975 1.00 0.00 C ATOM 758 C ASN A 46 7.025 -24.617 -0.428 1.00 0.00 C ATOM 759 O ASN A 46 7.096 -25.594 0.305 1.00 0.00 O ATOM 760 CB ASN A 46 8.735 -22.823 -0.067 1.00 0.00 C ATOM 761 CG ASN A 46 9.449 -23.303 1.181 1.00 0.00 C ATOM 762 OD1 ASN A 46 8.822 -23.651 2.174 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.768 -23.299 1.141 1.00 0.00 N ATOM 0 H ASN A 46 8.038 -22.494 -2.430 1.00 0.00 H new ATOM 0 HA ASN A 46 9.079 -24.743 -0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.392 -22.154 -0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.858 -22.243 0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.304 -23.593 1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.252 -23.002 0.294 1.00 0.00 H new ATOM 770 N LYS A 47 5.851 -24.066 -0.799 1.00 0.00 N ATOM 771 CA LYS A 47 4.540 -24.563 -0.321 1.00 0.00 C ATOM 772 C LYS A 47 4.416 -24.598 1.214 1.00 0.00 C ATOM 773 O LYS A 47 3.543 -25.284 1.752 1.00 0.00 O ATOM 774 CB LYS A 47 4.250 -25.945 -0.904 1.00 0.00 C ATOM 775 CG LYS A 47 4.140 -25.966 -2.430 1.00 0.00 C ATOM 776 CD LYS A 47 2.930 -25.171 -2.949 1.00 0.00 C ATOM 777 CE LYS A 47 2.721 -25.421 -4.432 1.00 0.00 C ATOM 778 NZ LYS A 47 2.543 -26.865 -4.729 1.00 0.00 N ATOM 0 H LYS A 47 5.782 -23.270 -1.433 1.00 0.00 H new ATOM 0 HA LYS A 47 3.797 -23.848 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.040 -26.630 -0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.320 -26.320 -0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.052 -25.554 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.064 -26.999 -2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.035 -25.459 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.085 -24.107 -2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.845 -24.869 -4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.576 -25.038 -4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.033 -26.974 -5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.474 -27.322 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.997 -27.312 -3.965 1.00 0.00 H new ATOM 792 N SER A 48 5.264 -23.860 1.913 1.00 0.00 N ATOM 793 CA SER A 48 5.214 -23.813 3.364 1.00 0.00 C ATOM 794 C SER A 48 3.974 -23.090 3.867 1.00 0.00 C ATOM 795 O SER A 48 3.705 -21.951 3.478 1.00 0.00 O ATOM 796 CB SER A 48 6.464 -23.135 3.912 1.00 0.00 C ATOM 797 OG SER A 48 6.352 -22.886 5.306 1.00 0.00 O ATOM 0 H SER A 48 5.996 -23.285 1.497 1.00 0.00 H new ATOM 0 HA SER A 48 5.168 -24.842 3.722 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.333 -23.764 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.630 -22.195 3.386 1.00 0.00 H new ATOM 0 HG SER A 48 7.170 -22.452 5.628 1.00 0.00 H new ATOM 803 N LYS A 49 3.227 -23.755 4.729 1.00 0.00 N ATOM 804 CA LYS A 49 2.064 -23.166 5.368 1.00 0.00 C ATOM 805 C LYS A 49 2.474 -21.924 6.176 1.00 0.00 C ATOM 806 O LYS A 49 1.800 -20.898 6.145 1.00 0.00 O ATOM 807 CB LYS A 49 1.421 -24.218 6.275 1.00 0.00 C ATOM 808 CG LYS A 49 2.407 -24.836 7.254 1.00 0.00 C ATOM 809 CD LYS A 49 2.141 -26.300 7.450 1.00 0.00 C ATOM 810 CE LYS A 49 3.212 -26.947 8.301 1.00 0.00 C ATOM 811 NZ LYS A 49 2.944 -28.391 8.519 1.00 0.00 N ATOM 0 H LYS A 49 3.409 -24.720 5.006 1.00 0.00 H new ATOM 0 HA LYS A 49 1.344 -22.849 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.603 -23.760 6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.986 -25.005 5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.423 -24.696 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.341 -24.321 8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.168 -26.434 7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.096 -26.796 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.182 -26.826 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.269 -26.438 9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.769 -28.832 8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.111 -28.501 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.764 -28.853 7.605 1.00 0.00 H new ATOM 825 N GLU A 50 3.597 -22.041 6.888 1.00 0.00 N ATOM 826 CA GLU A 50 4.147 -20.942 7.675 1.00 0.00 C ATOM 827 C GLU A 50 4.469 -19.761 6.789 1.00 0.00 C ATOM 828 O GLU A 50 4.130 -18.623 7.114 1.00 0.00 O ATOM 829 CB GLU A 50 5.415 -21.385 8.396 1.00 0.00 C ATOM 830 CG GLU A 50 5.179 -22.367 9.521 1.00 0.00 C ATOM 831 CD GLU A 50 4.383 -21.761 10.644 1.00 0.00 C ATOM 832 OE1 GLU A 50 4.943 -20.928 11.388 1.00 0.00 O ATOM 833 OE2 GLU A 50 3.201 -22.123 10.798 1.00 0.00 O ATOM 0 H GLU A 50 4.147 -22.899 6.933 1.00 0.00 H new ATOM 0 HA GLU A 50 3.396 -20.647 8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.092 -21.836 7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.918 -20.505 8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.653 -23.240 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.138 -22.716 9.904 1.00 0.00 H new ATOM 840 N LEU A 51 5.117 -20.027 5.677 1.00 0.00 N ATOM 841 CA LEU A 51 5.488 -18.977 4.757 1.00 0.00 C ATOM 842 C LEU A 51 4.238 -18.293 4.206 1.00 0.00 C ATOM 843 O LEU A 51 4.203 -17.076 4.075 1.00 0.00 O ATOM 844 CB LEU A 51 6.356 -19.548 3.629 1.00 0.00 C ATOM 845 CG LEU A 51 7.030 -18.528 2.709 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.952 -17.612 3.507 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.808 -19.242 1.609 1.00 0.00 C ATOM 0 H LEU A 51 5.398 -20.964 5.388 1.00 0.00 H new ATOM 0 HA LEU A 51 6.075 -18.226 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.131 -20.170 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.735 -20.202 3.017 1.00 0.00 H new ATOM 0 HG LEU A 51 6.256 -17.915 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.422 -16.894 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.372 -17.079 4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.722 -18.208 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.283 -18.505 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.572 -19.877 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.126 -19.856 1.021 1.00 0.00 H new ATOM 859 N GLN A 52 3.201 -19.085 3.921 1.00 0.00 N ATOM 860 CA GLN A 52 1.937 -18.529 3.433 1.00 0.00 C ATOM 861 C GLN A 52 1.346 -17.564 4.454 1.00 0.00 C ATOM 862 O GLN A 52 0.964 -16.441 4.109 1.00 0.00 O ATOM 863 CB GLN A 52 0.916 -19.630 3.130 1.00 0.00 C ATOM 864 CG GLN A 52 -0.437 -19.076 2.690 1.00 0.00 C ATOM 865 CD GLN A 52 -1.515 -20.130 2.565 1.00 0.00 C ATOM 866 OE1 GLN A 52 -1.244 -21.277 2.248 1.00 0.00 O ATOM 867 NE2 GLN A 52 -2.751 -19.742 2.825 1.00 0.00 N ATOM 0 H GLN A 52 3.210 -20.100 4.018 1.00 0.00 H new ATOM 0 HA GLN A 52 2.157 -17.995 2.509 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.310 -20.279 2.348 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.780 -20.247 4.018 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.761 -18.321 3.407 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.319 -18.574 1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.937 -18.774 3.087 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.519 -20.411 2.764 1.00 0.00 H new ATOM 876 N GLU A 53 1.287 -17.999 5.711 1.00 0.00 N ATOM 877 CA GLU A 53 0.722 -17.201 6.791 1.00 0.00 C ATOM 878 C GLU A 53 1.444 -15.871 6.945 1.00 0.00 C ATOM 879 O GLU A 53 0.813 -14.825 7.027 1.00 0.00 O ATOM 880 CB GLU A 53 0.793 -17.986 8.101 1.00 0.00 C ATOM 881 CG GLU A 53 -0.061 -19.240 8.123 1.00 0.00 C ATOM 882 CD GLU A 53 -1.538 -18.933 8.077 1.00 0.00 C ATOM 883 OE1 GLU A 53 -2.076 -18.462 9.096 1.00 0.00 O ATOM 884 OE2 GLU A 53 -2.174 -19.170 7.032 1.00 0.00 O ATOM 0 H GLU A 53 1.629 -18.913 6.007 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.318 -16.987 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.830 -18.263 8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.483 -17.335 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.203 -19.870 7.274 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.160 -19.811 9.025 1.00 0.00 H new ATOM 891 N LYS A 54 2.767 -15.917 6.969 1.00 0.00 N ATOM 892 CA LYS A 54 3.563 -14.708 7.130 1.00 0.00 C ATOM 893 C LYS A 54 3.357 -13.756 5.956 1.00 0.00 C ATOM 894 O LYS A 54 3.234 -12.542 6.143 1.00 0.00 O ATOM 895 CB LYS A 54 5.041 -15.050 7.288 1.00 0.00 C ATOM 896 CG LYS A 54 5.330 -15.932 8.492 1.00 0.00 C ATOM 897 CD LYS A 54 6.816 -16.023 8.776 1.00 0.00 C ATOM 898 CE LYS A 54 7.550 -16.758 7.674 1.00 0.00 C ATOM 899 NZ LYS A 54 9.005 -16.842 7.946 1.00 0.00 N ATOM 0 H LYS A 54 3.312 -16.775 6.879 1.00 0.00 H new ATOM 0 HA LYS A 54 3.227 -14.205 8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.388 -15.554 6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.613 -14.126 7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.816 -15.534 9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.931 -16.931 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.229 -15.020 8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.975 -16.536 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.140 -17.763 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.386 -16.248 6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.474 -17.352 7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.400 -15.883 8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.162 -17.350 8.839 1.00 0.00 H new ATOM 913 N ILE A 55 3.301 -14.316 4.759 1.00 0.00 N ATOM 914 CA ILE A 55 3.100 -13.520 3.555 1.00 0.00 C ATOM 915 C ILE A 55 1.728 -12.830 3.564 1.00 0.00 C ATOM 916 O ILE A 55 1.642 -11.611 3.420 1.00 0.00 O ATOM 917 CB ILE A 55 3.266 -14.366 2.264 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.726 -14.812 2.107 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.813 -13.578 1.036 1.00 0.00 C ATOM 920 CD1 ILE A 55 4.974 -15.691 0.898 1.00 0.00 C ATOM 0 H ILE A 55 3.392 -15.318 4.593 1.00 0.00 H new ATOM 0 HA ILE A 55 3.875 -12.753 3.554 1.00 0.00 H new ATOM 0 HB ILE A 55 2.636 -15.251 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.360 -13.928 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.029 -15.352 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.939 -14.191 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.763 -13.307 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.414 -12.673 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.028 -15.964 0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.368 -16.594 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.704 -15.148 -0.008 1.00 0.00 H new ATOM 932 N ILE A 56 0.662 -13.603 3.767 1.00 0.00 N ATOM 933 CA ILE A 56 -0.689 -13.038 3.769 1.00 0.00 C ATOM 934 C ILE A 56 -0.896 -12.086 4.958 1.00 0.00 C ATOM 935 O ILE A 56 -1.578 -11.070 4.836 1.00 0.00 O ATOM 936 CB ILE A 56 -1.795 -14.142 3.757 1.00 0.00 C ATOM 937 CG1 ILE A 56 -3.186 -13.508 3.604 1.00 0.00 C ATOM 938 CG2 ILE A 56 -1.735 -15.001 5.019 1.00 0.00 C ATOM 939 CD1 ILE A 56 -4.315 -14.516 3.528 1.00 0.00 C ATOM 0 H ILE A 56 0.704 -14.609 3.930 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.786 -12.467 2.846 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.610 -14.791 2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.365 -12.840 4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.198 -12.895 2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.517 -15.759 4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.761 -15.487 5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.884 -14.371 5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.264 -13.991 3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.162 -15.169 2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.331 -15.113 4.440 1.00 0.00 H new ATOM 951 N ARG A 57 -0.280 -12.403 6.093 1.00 0.00 N ATOM 952 CA ARG A 57 -0.385 -11.565 7.286 1.00 0.00 C ATOM 953 C ARG A 57 0.272 -10.220 7.045 1.00 0.00 C ATOM 954 O ARG A 57 -0.292 -9.176 7.381 1.00 0.00 O ATOM 955 CB ARG A 57 0.274 -12.254 8.481 1.00 0.00 C ATOM 956 CG ARG A 57 -0.681 -12.609 9.609 1.00 0.00 C ATOM 957 CD ARG A 57 -1.755 -13.587 9.159 1.00 0.00 C ATOM 958 NE ARG A 57 -2.584 -14.025 10.281 1.00 0.00 N ATOM 959 CZ ARG A 57 -3.872 -14.356 10.195 1.00 0.00 C ATOM 960 NH1 ARG A 57 -4.503 -14.316 9.026 1.00 0.00 N ATOM 961 NH2 ARG A 57 -4.529 -14.734 11.285 1.00 0.00 N ATOM 0 H ARG A 57 0.298 -13.235 6.213 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.442 -11.410 7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.762 -13.165 8.135 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.055 -11.603 8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.120 -13.043 10.437 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.152 -11.701 9.985 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.383 -13.117 8.403 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.287 -14.453 8.691 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.143 -14.081 11.199 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.001 -14.030 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.489 -14.571 8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.048 -14.770 12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.515 -14.988 11.224 1.00 0.00 H new ATOM 975 N GLU A 58 1.452 -10.247 6.448 1.00 0.00 N ATOM 976 CA GLU A 58 2.177 -9.032 6.162 1.00 0.00 C ATOM 977 C GLU A 58 1.492 -8.246 5.059 1.00 0.00 C ATOM 978 O GLU A 58 1.423 -7.018 5.116 1.00 0.00 O ATOM 979 CB GLU A 58 3.613 -9.344 5.775 1.00 0.00 C ATOM 980 CG GLU A 58 4.473 -8.127 5.560 1.00 0.00 C ATOM 981 CD GLU A 58 5.910 -8.490 5.340 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.632 -8.705 6.343 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.331 -8.586 4.177 1.00 0.00 O ATOM 0 H GLU A 58 1.924 -11.102 6.154 1.00 0.00 H new ATOM 0 HA GLU A 58 2.187 -8.422 7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.062 -9.959 6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.610 -9.939 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.104 -7.569 4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.393 -7.469 6.425 1.00 0.00 H new ATOM 990 N LEU A 59 0.952 -8.958 4.076 1.00 0.00 N ATOM 991 CA LEU A 59 0.270 -8.325 2.962 1.00 0.00 C ATOM 992 C LEU A 59 -0.943 -7.573 3.492 1.00 0.00 C ATOM 993 O LEU A 59 -1.215 -6.447 3.092 1.00 0.00 O ATOM 994 CB LEU A 59 -0.140 -9.388 1.921 1.00 0.00 C ATOM 995 CG LEU A 59 -0.507 -8.874 0.517 1.00 0.00 C ATOM 996 CD1 LEU A 59 -0.321 -9.978 -0.511 1.00 0.00 C ATOM 997 CD2 LEU A 59 -1.944 -8.367 0.480 1.00 0.00 C ATOM 0 H LEU A 59 0.976 -9.977 4.032 1.00 0.00 H new ATOM 0 HA LEU A 59 0.935 -7.617 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.680 -10.099 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.993 -9.939 2.316 1.00 0.00 H new ATOM 0 HG LEU A 59 0.157 -8.044 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.584 -9.602 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.719 -10.304 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.965 -10.821 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.178 -8.010 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.623 -9.178 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.060 -7.550 1.193 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.644 -8.210 4.423 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.817 -7.627 5.065 1.00 0.00 C ATOM 1011 C ASP A 60 -2.466 -6.329 5.790 1.00 0.00 C ATOM 1012 O ASP A 60 -3.137 -5.313 5.614 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.423 -8.629 6.051 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.585 -8.059 6.830 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.694 -7.974 6.270 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.398 -7.714 8.019 1.00 0.00 O ATOM 0 H ASP A 60 -1.415 -9.147 4.755 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.546 -7.393 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.756 -9.512 5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.652 -8.957 6.748 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.403 -6.363 6.593 1.00 0.00 N ATOM 1022 CA VAL A 61 -0.967 -5.179 7.341 1.00 0.00 C ATOM 1023 C VAL A 61 -0.606 -4.038 6.393 1.00 0.00 C ATOM 1024 O VAL A 61 -1.039 -2.896 6.579 1.00 0.00 O ATOM 1025 CB VAL A 61 0.252 -5.491 8.245 1.00 0.00 C ATOM 1026 CG1 VAL A 61 0.704 -4.248 8.998 1.00 0.00 C ATOM 1027 CG2 VAL A 61 -0.072 -6.608 9.218 1.00 0.00 C ATOM 0 H VAL A 61 -0.829 -7.192 6.744 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.803 -4.878 7.972 1.00 0.00 H new ATOM 0 HB VAL A 61 1.069 -5.818 7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.561 -4.494 9.625 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.987 -3.473 8.285 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.111 -3.885 9.624 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.798 -6.810 9.843 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.910 -6.310 9.848 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.338 -7.508 8.663 1.00 0.00 H new ATOM 1037 N VAL A 62 0.174 -4.357 5.369 1.00 0.00 N ATOM 1038 CA VAL A 62 0.586 -3.368 4.386 1.00 0.00 C ATOM 1039 C VAL A 62 -0.621 -2.848 3.618 1.00 0.00 C ATOM 1040 O VAL A 62 -0.740 -1.650 3.376 1.00 0.00 O ATOM 1041 CB VAL A 62 1.629 -3.939 3.393 1.00 0.00 C ATOM 1042 CG1 VAL A 62 1.991 -2.903 2.340 1.00 0.00 C ATOM 1043 CG2 VAL A 62 2.877 -4.397 4.134 1.00 0.00 C ATOM 0 H VAL A 62 0.534 -5.296 5.198 1.00 0.00 H new ATOM 0 HA VAL A 62 1.054 -2.548 4.931 1.00 0.00 H new ATOM 0 HB VAL A 62 1.187 -4.800 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.725 -3.324 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.096 -2.619 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.412 -2.023 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.598 -4.795 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.318 -3.551 4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.610 -5.173 4.851 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.533 -3.742 3.273 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.721 -3.352 2.547 1.00 0.00 C ATOM 1055 C CYS A 63 -3.556 -2.400 3.385 1.00 0.00 C ATOM 1056 O CYS A 63 -4.045 -1.396 2.885 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.556 -4.570 2.137 1.00 0.00 C ATOM 1058 SG CYS A 63 -4.996 -4.167 1.113 1.00 0.00 S ATOM 0 H CYS A 63 -1.470 -4.738 3.485 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.405 -2.845 1.636 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.919 -5.267 1.592 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.895 -5.084 3.036 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.636 -5.259 0.816 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.691 -2.706 4.672 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.477 -1.899 5.589 1.00 0.00 C ATOM 1066 C ALA A 64 -3.863 -0.521 5.787 1.00 0.00 C ATOM 1067 O ALA A 64 -4.562 0.488 5.685 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.569 -2.614 6.922 1.00 0.00 C ATOM 0 H ALA A 64 -3.257 -3.521 5.105 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.471 -1.762 5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.158 -2.015 7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.048 -3.583 6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.567 -2.759 7.327 1.00 0.00 H new ATOM 1074 N MET A 65 -2.566 -0.470 6.071 1.00 0.00 N ATOM 1075 CA MET A 65 -1.905 0.814 6.292 1.00 0.00 C ATOM 1076 C MET A 65 -1.979 1.671 5.029 1.00 0.00 C ATOM 1077 O MET A 65 -2.131 2.892 5.102 1.00 0.00 O ATOM 1078 CB MET A 65 -0.445 0.629 6.739 1.00 0.00 C ATOM 1079 CG MET A 65 0.500 0.211 5.628 1.00 0.00 C ATOM 1080 SD MET A 65 2.219 0.108 6.164 1.00 0.00 S ATOM 1081 CE MET A 65 2.137 -1.313 7.243 1.00 0.00 C ATOM 0 H MET A 65 -1.959 -1.286 6.153 1.00 0.00 H new ATOM 0 HA MET A 65 -2.430 1.328 7.097 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.088 1.564 7.171 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.412 -0.121 7.530 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.188 -0.758 5.239 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.424 0.924 4.807 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.283 -0.995 8.275 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.161 -1.789 7.145 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.916 -2.024 6.968 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.882 1.019 3.874 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.990 1.705 2.599 1.00 0.00 C ATOM 1093 C ILE A 66 -3.409 2.242 2.393 1.00 0.00 C ATOM 1094 O ILE A 66 -3.588 3.389 1.981 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.553 0.785 1.405 1.00 0.00 C ATOM 1096 CG1 ILE A 66 -0.078 1.026 1.035 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -2.441 0.984 0.182 1.00 0.00 C ATOM 1098 CD1 ILE A 66 0.903 0.805 2.166 1.00 0.00 C ATOM 0 H ILE A 66 -1.728 0.013 3.799 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.304 2.552 2.620 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.668 -0.247 1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.187 0.367 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.029 2.049 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.105 0.329 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.473 0.744 0.439 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.381 2.022 -0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.916 0.998 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.670 1.483 2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.831 -0.225 2.514 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.417 1.425 2.733 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.819 1.808 2.583 1.00 0.00 C ATOM 1112 C GLU A 67 -6.151 3.005 3.455 1.00 0.00 C ATOM 1113 O GLU A 67 -6.844 3.930 3.021 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.733 0.639 2.964 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.809 -0.475 1.932 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.658 -0.110 0.738 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -8.737 0.491 0.934 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -7.280 -0.448 -0.393 1.00 0.00 O ATOM 0 H GLU A 67 -4.280 0.490 3.116 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.982 2.075 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.386 0.218 3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.738 1.024 3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.802 -0.721 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.216 -1.371 2.401 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.656 2.983 4.688 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.935 4.050 5.620 1.00 0.00 C ATOM 1127 C GLY A 68 -5.330 5.370 5.208 1.00 0.00 C ATOM 1128 O GLY A 68 -6.004 6.402 5.212 1.00 0.00 O ATOM 0 H GLY A 68 -5.064 2.239 5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.014 4.166 5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.554 3.774 6.603 1.00 0.00 H new ATOM 1132 N ALA A 69 -4.057 5.337 4.832 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.346 6.540 4.443 1.00 0.00 C ATOM 1134 C ALA A 69 -3.892 7.097 3.138 1.00 0.00 C ATOM 1135 O ALA A 69 -4.084 8.305 3.016 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.854 6.260 4.321 1.00 0.00 C ATOM 0 H ALA A 69 -3.498 4.485 4.790 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.497 7.290 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.335 7.173 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.469 5.915 5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.689 5.491 3.566 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.160 6.221 2.172 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.658 6.674 0.879 1.00 0.00 C ATOM 1144 C GLN A 70 -6.018 7.353 1.032 1.00 0.00 C ATOM 1145 O GLN A 70 -6.286 8.362 0.398 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.716 5.552 -0.165 1.00 0.00 C ATOM 1147 CG GLN A 70 -5.809 4.534 0.053 1.00 0.00 C ATOM 1148 CD GLN A 70 -5.967 3.616 -1.131 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -5.381 2.540 -1.191 1.00 0.00 O ATOM 1150 NE2 GLN A 70 -6.743 4.053 -2.095 1.00 0.00 N ATOM 0 H GLN A 70 -4.043 5.211 2.258 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.941 7.405 0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.848 5.999 -1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.756 5.036 -0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.584 3.944 0.942 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.751 5.048 0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.212 4.954 -2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.878 3.491 -2.936 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.857 6.802 1.906 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.175 7.359 2.119 1.00 0.00 C ATOM 1161 C GLY A 71 -8.129 8.694 2.833 1.00 0.00 C ATOM 1162 O GLY A 71 -8.793 9.660 2.427 1.00 0.00 O ATOM 0 H GLY A 71 -6.644 5.979 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.675 7.481 1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.773 6.658 2.702 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.318 8.754 3.882 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.196 9.950 4.696 1.00 0.00 C ATOM 1168 C ALA A 72 -6.578 11.084 3.893 1.00 0.00 C ATOM 1169 O ALA A 72 -7.149 12.183 3.796 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.366 9.663 5.940 1.00 0.00 C ATOM 0 H ALA A 72 -6.731 7.978 4.189 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.194 10.257 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.284 10.569 6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.849 8.882 6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.370 9.332 5.645 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.404 10.812 3.324 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.677 11.781 2.522 1.00 0.00 C ATOM 1178 C LEU A 73 -5.538 12.324 1.388 1.00 0.00 C ATOM 1179 O LEU A 73 -5.577 13.525 1.166 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.395 11.151 1.963 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.472 12.088 1.183 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -1.922 13.184 2.085 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.339 11.304 0.539 1.00 0.00 C ATOM 0 H LEU A 73 -4.934 9.911 3.410 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.411 12.618 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.831 10.726 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.675 10.324 1.311 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.056 12.562 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.268 13.837 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.747 13.767 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.356 12.734 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.692 11.986 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.760 10.800 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.752 10.563 -0.146 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.237 11.434 0.689 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.102 11.833 -0.421 1.00 0.00 C ATOM 1197 C GLU A 74 -8.117 12.878 0.009 1.00 0.00 C ATOM 1198 O GLU A 74 -8.191 13.947 -0.570 1.00 0.00 O ATOM 1199 CB GLU A 74 -7.805 10.608 -1.003 1.00 0.00 C ATOM 1200 CG GLU A 74 -7.095 10.001 -2.199 1.00 0.00 C ATOM 1201 CD GLU A 74 -7.174 10.886 -3.428 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -8.177 10.788 -4.169 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -6.244 11.669 -3.664 1.00 0.00 O ATOM 0 H GLU A 74 -6.222 10.430 0.871 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.476 12.284 -1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.897 9.850 -0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.817 10.888 -1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.049 9.826 -1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.535 9.030 -2.425 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.866 12.578 1.058 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.915 13.480 1.535 1.00 0.00 C ATOM 1212 C ARG A 75 -9.364 14.867 1.883 1.00 0.00 C ATOM 1213 O ARG A 75 -9.980 15.884 1.556 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.629 12.869 2.735 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.367 11.584 2.408 1.00 0.00 C ATOM 1216 CD ARG A 75 -12.057 11.011 3.628 1.00 0.00 C ATOM 1217 NE ARG A 75 -12.833 9.815 3.304 1.00 0.00 N ATOM 1218 CZ ARG A 75 -14.147 9.685 3.510 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -14.858 10.708 3.980 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -14.752 8.541 3.220 1.00 0.00 N ATOM 0 H ARG A 75 -8.771 11.718 1.599 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.631 13.612 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.899 12.670 3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.338 13.594 3.135 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.105 11.776 1.629 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.665 10.852 2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.312 10.766 4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.715 11.765 4.060 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.337 9.025 2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.400 11.596 4.185 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.861 10.604 4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.214 7.762 2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.755 8.440 3.377 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.217 14.909 2.534 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.614 16.188 2.904 1.00 0.00 C ATOM 1236 C GLU A 76 -7.023 16.915 1.686 1.00 0.00 C ATOM 1237 O GLU A 76 -7.339 18.081 1.459 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.564 16.025 4.018 1.00 0.00 C ATOM 1239 CG GLU A 76 -5.417 15.104 3.669 1.00 0.00 C ATOM 1240 CD GLU A 76 -4.385 15.014 4.759 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -4.532 14.154 5.654 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -3.415 15.796 4.732 1.00 0.00 O ATOM 0 H GLU A 76 -7.685 14.086 2.818 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.416 16.811 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.162 17.007 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.058 15.646 4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.808 14.108 3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.941 15.456 2.754 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.174 16.237 0.903 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.563 16.871 -0.273 1.00 0.00 C ATOM 1251 C LEU A 77 -6.598 17.362 -1.268 1.00 0.00 C ATOM 1252 O LEU A 77 -6.329 18.265 -2.053 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.497 15.960 -0.958 1.00 0.00 C ATOM 1254 CG LEU A 77 -4.928 14.566 -1.465 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -5.871 14.662 -2.652 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -3.703 13.751 -1.846 1.00 0.00 C ATOM 0 H LEU A 77 -5.898 15.267 1.058 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.036 17.749 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.090 16.509 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.681 15.816 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.463 14.071 -0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.150 13.660 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.767 15.211 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.374 15.184 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.015 12.769 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.154 14.266 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.059 13.632 -0.974 1.00 0.00 H new ATOM 1268 N LYS A 78 -7.795 16.798 -1.206 1.00 0.00 N ATOM 1269 CA LYS A 78 -8.856 17.169 -2.118 1.00 0.00 C ATOM 1270 C LYS A 78 -9.311 18.608 -1.887 1.00 0.00 C ATOM 1271 O LYS A 78 -10.003 19.191 -2.724 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.029 16.207 -2.009 1.00 0.00 C ATOM 1273 CG LYS A 78 -9.817 14.882 -2.739 1.00 0.00 C ATOM 1274 CD LYS A 78 -9.387 15.071 -4.190 1.00 0.00 C ATOM 1275 CE LYS A 78 -9.108 13.731 -4.841 1.00 0.00 C ATOM 1276 NZ LYS A 78 -8.545 13.868 -6.205 1.00 0.00 N ATOM 0 H LYS A 78 -8.052 16.079 -0.529 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.457 17.105 -3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.221 16.003 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.921 16.691 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.061 14.299 -2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.741 14.304 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.168 15.594 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.494 15.695 -4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.413 13.167 -4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.032 13.155 -4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.372 12.924 -6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.218 14.382 -6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.649 14.394 -6.159 1.00 0.00 H new ATOM 1290 N ARG A 79 -8.936 19.164 -0.736 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.287 20.535 -0.388 1.00 0.00 C ATOM 1292 C ARG A 79 -8.578 21.515 -1.320 1.00 0.00 C ATOM 1293 O ARG A 79 -9.062 22.624 -1.560 1.00 0.00 O ATOM 1294 CB ARG A 79 -8.938 20.814 1.097 1.00 0.00 C ATOM 1295 CG ARG A 79 -9.323 22.206 1.598 1.00 0.00 C ATOM 1296 CD ARG A 79 -8.226 23.230 1.339 1.00 0.00 C ATOM 1297 NE ARG A 79 -8.705 24.602 1.506 1.00 0.00 N ATOM 1298 CZ ARG A 79 -7.957 25.691 1.312 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -6.667 25.573 1.007 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -8.498 26.897 1.430 1.00 0.00 N ATOM 0 H ARG A 79 -8.386 18.680 -0.026 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.361 20.672 -0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.436 20.070 1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.865 20.678 1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.242 22.527 1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.532 22.161 2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.395 23.051 2.021 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.842 23.101 0.327 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.676 24.736 1.790 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.246 24.648 0.921 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.099 26.408 0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.485 26.992 1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.927 27.729 1.282 1.00 0.00 H new ATOM 1314 N THR A 80 -7.443 21.097 -1.847 1.00 0.00 N ATOM 1315 CA THR A 80 -6.676 21.914 -2.762 1.00 0.00 C ATOM 1316 C THR A 80 -7.466 22.147 -4.050 1.00 0.00 C ATOM 1317 O THR A 80 -8.014 21.205 -4.629 1.00 0.00 O ATOM 1318 CB THR A 80 -5.341 21.229 -3.101 1.00 0.00 C ATOM 1319 OG1 THR A 80 -4.708 20.788 -1.892 1.00 0.00 O ATOM 1320 CG2 THR A 80 -4.411 22.181 -3.839 1.00 0.00 C ATOM 0 H THR A 80 -7.030 20.185 -1.653 1.00 0.00 H new ATOM 0 HA THR A 80 -6.476 22.872 -2.281 1.00 0.00 H new ATOM 0 HB THR A 80 -5.547 20.376 -3.747 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.145 20.009 -2.083 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.475 21.672 -4.067 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.883 22.504 -4.767 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.208 23.050 -3.213 1.00 0.00 H new ATOM 1328 N ASP A 81 -7.536 23.405 -4.481 1.00 0.00 N ATOM 1329 CA ASP A 81 -8.269 23.766 -5.692 1.00 0.00 C ATOM 1330 C ASP A 81 -7.698 23.026 -6.901 1.00 0.00 C ATOM 1331 O ASP A 81 -6.485 22.764 -6.964 1.00 0.00 O ATOM 1332 CB ASP A 81 -8.196 25.275 -5.923 1.00 0.00 C ATOM 1333 CG ASP A 81 -9.406 25.816 -6.650 1.00 0.00 C ATOM 1334 OD1 ASP A 81 -9.652 25.414 -7.801 1.00 0.00 O ATOM 1335 OD2 ASP A 81 -10.128 26.658 -6.061 1.00 0.00 O ATOM 0 H ASP A 81 -7.093 24.193 -4.008 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.312 23.477 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.099 25.781 -4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.299 25.507 -6.497 1.00 0.00 H new ATOM 1340 N LEU A 82 -8.560 22.705 -7.859 1.00 0.00 N ATOM 1341 CA LEU A 82 -8.161 21.934 -9.033 1.00 0.00 C ATOM 1342 C LEU A 82 -7.355 22.739 -10.052 1.00 0.00 C ATOM 1343 O LEU A 82 -7.774 22.949 -11.190 1.00 0.00 O ATOM 1344 CB LEU A 82 -9.371 21.229 -9.687 1.00 0.00 C ATOM 1345 CG LEU A 82 -10.714 21.993 -9.692 1.00 0.00 C ATOM 1346 CD1 LEU A 82 -10.652 23.240 -10.564 1.00 0.00 C ATOM 1347 CD2 LEU A 82 -11.835 21.076 -10.153 1.00 0.00 C ATOM 0 H LEU A 82 -9.545 22.968 -7.846 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.482 21.165 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.110 20.998 -10.720 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.525 20.278 -9.176 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.916 22.319 -8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.616 23.749 -10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.879 23.910 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.417 22.955 -11.590 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.777 21.624 -10.153 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -11.623 20.720 -11.161 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.911 20.225 -9.476 1.00 0.00 H new ATOM 1359 N ASN A 83 -6.195 23.178 -9.624 1.00 0.00 N ATOM 1360 CA ASN A 83 -5.284 23.919 -10.458 1.00 0.00 C ATOM 1361 C ASN A 83 -4.757 23.038 -11.577 1.00 0.00 C ATOM 1362 O ASN A 83 -4.850 21.823 -11.495 1.00 0.00 O ATOM 1363 CB ASN A 83 -4.160 24.413 -9.640 1.00 0.00 C ATOM 1364 CG ASN A 83 -3.485 25.542 -10.322 1.00 0.00 C ATOM 1365 OD1 ASN A 83 -4.123 26.386 -10.945 1.00 0.00 O ATOM 1366 ND2 ASN A 83 -2.228 25.545 -10.266 1.00 0.00 N ATOM 0 H ASN A 83 -5.855 23.028 -8.674 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.814 24.764 -10.899 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.525 24.734 -8.664 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.448 23.607 -9.464 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.698 26.269 -10.751 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.739 24.823 -9.736 1.00 0.00 H new ATOM 1373 N ILE A 84 -4.179 23.647 -12.598 1.00 0.00 N ATOM 1374 CA ILE A 84 -3.709 22.908 -13.767 1.00 0.00 C ATOM 1375 C ILE A 84 -2.698 21.820 -13.376 1.00 0.00 C ATOM 1376 O ILE A 84 -2.893 20.628 -13.686 1.00 0.00 O ATOM 1377 CB ILE A 84 -3.091 23.850 -14.853 1.00 0.00 C ATOM 1378 CG1 ILE A 84 -4.171 24.740 -15.507 1.00 0.00 C ATOM 1379 CG2 ILE A 84 -2.363 23.042 -15.925 1.00 0.00 C ATOM 1380 CD1 ILE A 84 -4.718 25.840 -14.613 1.00 0.00 C ATOM 0 H ILE A 84 -4.022 24.654 -12.645 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.587 22.429 -14.200 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.372 24.497 -14.350 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.752 25.195 -16.404 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.998 24.107 -15.828 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.942 23.719 -16.668 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.561 22.466 -15.464 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.065 22.363 -16.409 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.469 26.412 -15.158 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.172 25.397 -13.727 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.906 26.502 -14.312 1.00 0.00 H new ATOM 1392 N LEU A 85 -1.651 22.213 -12.657 1.00 0.00 N ATOM 1393 CA LEU A 85 -0.611 21.280 -12.263 1.00 0.00 C ATOM 1394 C LEU A 85 -1.105 20.349 -11.165 1.00 0.00 C ATOM 1395 O LEU A 85 -0.913 19.137 -11.241 1.00 0.00 O ATOM 1396 CB LEU A 85 0.631 22.035 -11.787 1.00 0.00 C ATOM 1397 CG LEU A 85 1.817 21.163 -11.368 1.00 0.00 C ATOM 1398 CD1 LEU A 85 2.372 20.397 -12.560 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.900 22.010 -10.722 1.00 0.00 C ATOM 0 H LEU A 85 -1.504 23.171 -12.338 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.349 20.680 -13.134 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.957 22.701 -12.586 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.350 22.664 -10.943 1.00 0.00 H new ATOM 0 HG LEU A 85 1.465 20.438 -10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.214 19.784 -12.239 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.594 19.756 -12.975 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.706 21.102 -13.322 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.735 21.373 -10.431 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.247 22.761 -11.432 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.496 22.505 -9.839 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.736 20.919 -10.141 1.00 0.00 N ATOM 1412 CA GLU A 86 -2.253 20.128 -9.035 1.00 0.00 C ATOM 1413 C GLU A 86 -3.226 19.060 -9.515 1.00 0.00 C ATOM 1414 O GLU A 86 -3.143 17.917 -9.085 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.910 21.003 -7.960 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.933 21.887 -7.190 1.00 0.00 C ATOM 1417 CD GLU A 86 -1.714 23.235 -7.838 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -1.172 23.290 -8.960 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -2.104 24.250 -7.230 1.00 0.00 O ATOM 0 H GLU A 86 -1.900 21.922 -10.057 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.395 19.631 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.661 21.636 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.434 20.359 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.307 22.034 -6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.976 21.372 -7.105 1.00 0.00 H new ATOM 1426 N ARG A 87 -4.132 19.425 -10.421 1.00 0.00 N ATOM 1427 CA ARG A 87 -5.100 18.475 -10.950 1.00 0.00 C ATOM 1428 C ARG A 87 -4.386 17.334 -11.659 1.00 0.00 C ATOM 1429 O ARG A 87 -4.741 16.164 -11.503 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.072 19.168 -11.911 1.00 0.00 C ATOM 1431 CG ARG A 87 -7.150 18.260 -12.464 1.00 0.00 C ATOM 1432 CD ARG A 87 -8.026 18.987 -13.467 1.00 0.00 C ATOM 1433 NE ARG A 87 -9.019 18.098 -14.065 1.00 0.00 N ATOM 1434 CZ ARG A 87 -10.011 18.494 -14.862 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -10.162 19.782 -15.166 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -10.855 17.599 -15.354 1.00 0.00 N ATOM 0 H ARG A 87 -4.213 20.368 -10.801 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.672 18.069 -10.115 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.545 20.002 -11.393 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.506 19.589 -12.742 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.690 17.395 -12.941 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.765 17.884 -11.647 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.532 19.817 -12.974 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.402 19.415 -14.252 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.948 17.102 -13.857 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.515 20.474 -14.788 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.924 20.076 -15.777 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.744 16.612 -15.122 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.616 17.897 -15.964 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.364 17.697 -12.431 1.00 0.00 N ATOM 1451 CA PHE A 88 -2.554 16.737 -13.163 1.00 0.00 C ATOM 1452 C PHE A 88 -1.833 15.786 -12.199 1.00 0.00 C ATOM 1453 O PHE A 88 -1.901 14.565 -12.350 1.00 0.00 O ATOM 1454 CB PHE A 88 -1.545 17.490 -14.042 1.00 0.00 C ATOM 1455 CG PHE A 88 -0.636 16.610 -14.849 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -1.110 15.938 -15.962 1.00 0.00 C ATOM 1457 CD2 PHE A 88 0.696 16.467 -14.501 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -0.271 15.139 -16.712 1.00 0.00 C ATOM 1459 CE2 PHE A 88 1.538 15.667 -15.246 1.00 0.00 C ATOM 1460 CZ PHE A 88 1.054 15.002 -16.353 1.00 0.00 C ATOM 0 H PHE A 88 -3.077 18.667 -12.564 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.202 16.134 -13.799 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.092 18.144 -14.721 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.936 18.131 -13.405 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.147 16.040 -16.247 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.081 16.988 -13.636 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.652 14.621 -17.580 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.575 15.562 -14.963 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.711 14.375 -16.938 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.165 16.360 -11.201 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.426 15.575 -10.202 1.00 0.00 C ATOM 1472 C ASN A 89 -1.360 14.644 -9.438 1.00 0.00 C ATOM 1473 O ASN A 89 -1.109 13.447 -9.334 1.00 0.00 O ATOM 1474 CB ASN A 89 0.303 16.496 -9.209 1.00 0.00 C ATOM 1475 CG ASN A 89 1.456 17.263 -9.834 1.00 0.00 C ATOM 1476 OD1 ASN A 89 2.096 16.795 -10.769 1.00 0.00 O ATOM 1477 ND2 ASN A 89 1.734 18.445 -9.310 1.00 0.00 N ATOM 0 H ASN A 89 -1.117 17.369 -11.058 1.00 0.00 H new ATOM 0 HA ASN A 89 0.310 14.976 -10.738 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.411 17.205 -8.791 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.681 15.898 -8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.504 19.000 -9.684 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.179 18.801 -8.532 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.434 15.213 -8.908 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.428 14.465 -8.136 1.00 0.00 C ATOM 1486 C TYR A 90 -3.979 13.285 -8.924 1.00 0.00 C ATOM 1487 O TYR A 90 -3.958 12.144 -8.448 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.563 15.398 -7.716 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.242 16.277 -6.528 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -2.957 16.764 -6.308 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.231 16.626 -5.626 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -2.675 17.567 -5.228 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -4.957 17.427 -4.544 1.00 0.00 C ATOM 1494 CZ TYR A 90 -3.675 17.897 -4.348 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.394 18.698 -3.267 1.00 0.00 O ATOM 0 H TYR A 90 -2.645 16.207 -8.999 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.937 14.066 -7.248 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.827 16.033 -8.562 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.442 14.798 -7.482 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.167 16.507 -6.998 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.237 16.262 -5.775 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.672 17.936 -5.073 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.742 17.688 -3.850 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.660 19.307 -3.493 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.462 13.565 -10.124 1.00 0.00 N ATOM 1506 CA GLU A 91 -5.023 12.543 -10.997 1.00 0.00 C ATOM 1507 C GLU A 91 -4.018 11.426 -11.252 1.00 0.00 C ATOM 1508 O GLU A 91 -4.350 10.240 -11.151 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.449 13.163 -12.321 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.039 12.157 -13.295 1.00 0.00 C ATOM 1511 CD GLU A 91 -6.387 12.772 -14.621 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -7.442 13.432 -14.715 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -5.613 12.604 -15.581 1.00 0.00 O ATOM 0 H GLU A 91 -4.477 14.505 -10.521 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.893 12.115 -10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.183 13.945 -12.128 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.586 13.643 -12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.327 11.347 -13.450 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.934 11.715 -12.857 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.791 11.808 -11.569 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.758 10.848 -11.890 1.00 0.00 C ATOM 1522 C GLU A 92 -1.373 10.015 -10.671 1.00 0.00 C ATOM 1523 O GLU A 92 -1.138 8.808 -10.781 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.542 11.551 -12.492 1.00 0.00 C ATOM 1525 CG GLU A 92 0.499 10.607 -13.058 1.00 0.00 C ATOM 1526 CD GLU A 92 1.491 11.315 -13.947 1.00 0.00 C ATOM 1527 OE1 GLU A 92 2.526 11.786 -13.437 1.00 0.00 O ATOM 1528 OE2 GLU A 92 1.239 11.404 -15.167 1.00 0.00 O ATOM 0 H GLU A 92 -2.490 12.782 -11.610 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.155 10.160 -12.636 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.878 12.221 -13.283 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.077 12.170 -11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.030 10.122 -12.239 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.002 9.820 -13.626 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.336 10.651 -9.500 1.00 0.00 N ATOM 1536 CA ALA A 93 -1.005 9.957 -8.265 1.00 0.00 C ATOM 1537 C ALA A 93 -2.063 8.904 -7.964 1.00 0.00 C ATOM 1538 O ALA A 93 -1.750 7.744 -7.697 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.889 10.949 -7.109 1.00 0.00 C ATOM 0 H ALA A 93 -1.532 11.645 -9.385 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.041 9.462 -8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.641 10.413 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.105 11.674 -7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.838 11.469 -6.979 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.322 9.331 -8.039 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.474 8.462 -7.819 1.00 0.00 C ATOM 1547 C GLN A 94 -4.469 7.314 -8.833 1.00 0.00 C ATOM 1548 O GLN A 94 -4.788 6.170 -8.498 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.756 9.306 -7.928 1.00 0.00 C ATOM 1550 CG GLN A 94 -7.048 8.572 -7.615 1.00 0.00 C ATOM 1551 CD GLN A 94 -6.989 7.767 -6.331 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -6.662 6.582 -6.348 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -7.311 8.387 -5.222 1.00 0.00 N ATOM 0 H GLN A 94 -3.572 10.296 -8.256 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.428 8.018 -6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.669 10.157 -7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.822 9.707 -8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.860 9.296 -7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.287 7.904 -8.443 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.577 9.371 -5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.295 7.885 -4.334 1.00 0.00 H new ATOM 1562 N THR A 95 -4.083 7.622 -10.061 1.00 0.00 N ATOM 1563 CA THR A 95 -3.981 6.617 -11.100 1.00 0.00 C ATOM 1564 C THR A 95 -2.940 5.546 -10.734 1.00 0.00 C ATOM 1565 O THR A 95 -3.235 4.337 -10.775 1.00 0.00 O ATOM 1566 CB THR A 95 -3.627 7.246 -12.463 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.663 8.164 -12.855 1.00 0.00 O ATOM 1568 CG2 THR A 95 -3.471 6.170 -13.531 1.00 0.00 C ATOM 0 H THR A 95 -3.835 8.565 -10.361 1.00 0.00 H new ATOM 0 HA THR A 95 -4.959 6.143 -11.183 1.00 0.00 H new ATOM 0 HB THR A 95 -2.681 7.777 -12.363 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.551 9.010 -12.372 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.221 6.637 -14.484 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.674 5.484 -13.243 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.406 5.618 -13.631 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.745 5.980 -10.324 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.679 5.047 -9.995 1.00 0.00 C ATOM 1578 C LEU A 96 -0.999 4.296 -8.716 1.00 0.00 C ATOM 1579 O LEU A 96 -0.669 3.114 -8.579 1.00 0.00 O ATOM 1580 CB LEU A 96 0.664 5.772 -9.846 1.00 0.00 C ATOM 1581 CG LEU A 96 1.154 6.540 -11.079 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.451 7.270 -10.774 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.337 5.600 -12.264 1.00 0.00 C ATOM 0 H LEU A 96 -1.499 6.964 -10.215 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.601 4.335 -10.816 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.586 6.472 -9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.423 5.038 -9.575 1.00 0.00 H new ATOM 0 HG LEU A 96 0.396 7.278 -11.342 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.783 7.809 -11.661 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.288 7.976 -9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.214 6.549 -10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.685 6.167 -13.128 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.072 4.835 -12.012 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.385 5.125 -12.502 1.00 0.00 H new ATOM 1595 N SER A 97 -1.644 4.986 -7.781 1.00 0.00 N ATOM 1596 CA SER A 97 -2.032 4.393 -6.517 1.00 0.00 C ATOM 1597 C SER A 97 -2.919 3.181 -6.756 1.00 0.00 C ATOM 1598 O SER A 97 -2.696 2.112 -6.191 1.00 0.00 O ATOM 1599 CB SER A 97 -2.753 5.424 -5.638 1.00 0.00 C ATOM 1600 OG SER A 97 -3.002 4.912 -4.339 1.00 0.00 O ATOM 0 H SER A 97 -1.909 5.966 -7.882 1.00 0.00 H new ATOM 0 HA SER A 97 -1.133 4.068 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.149 6.328 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.696 5.708 -6.106 1.00 0.00 H new ATOM 0 HG SER A 97 -3.461 5.591 -3.802 1.00 0.00 H new ATOM 1606 N LYS A 98 -3.915 3.349 -7.623 1.00 0.00 N ATOM 1607 CA LYS A 98 -4.834 2.274 -7.941 1.00 0.00 C ATOM 1608 C LYS A 98 -4.116 1.127 -8.619 1.00 0.00 C ATOM 1609 O LYS A 98 -4.453 -0.033 -8.400 1.00 0.00 O ATOM 1610 CB LYS A 98 -5.974 2.770 -8.821 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.921 3.718 -8.123 1.00 0.00 C ATOM 1612 CD LYS A 98 -8.233 3.823 -8.874 1.00 0.00 C ATOM 1613 CE LYS A 98 -9.208 4.722 -8.145 1.00 0.00 C ATOM 1614 NZ LYS A 98 -8.867 6.147 -8.297 1.00 0.00 N ATOM 0 H LYS A 98 -4.101 4.223 -8.115 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.253 1.914 -7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.554 3.269 -9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.538 1.911 -9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.106 3.370 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.463 4.704 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.052 4.214 -9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.668 2.831 -8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.215 4.548 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.218 4.463 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.162 6.667 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.840 6.246 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.358 6.535 -9.128 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.108 1.446 -9.429 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.346 0.416 -10.114 1.00 0.00 C ATOM 1630 C ILE A 99 -1.622 -0.465 -9.103 1.00 0.00 C ATOM 1631 O ILE A 99 -1.659 -1.695 -9.189 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.318 1.026 -11.098 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.045 1.827 -12.186 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.454 -0.071 -11.717 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -1.123 2.553 -13.143 1.00 0.00 C ATOM 0 H ILE A 99 -2.806 2.401 -9.623 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.051 -0.186 -10.687 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.662 1.702 -10.549 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.682 1.150 -12.756 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.701 2.555 -11.708 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.263 0.376 -12.406 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.082 -0.600 -10.929 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.089 -0.772 -12.258 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.716 3.094 -13.880 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.504 3.257 -12.588 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.484 1.831 -13.651 1.00 0.00 H new ATOM 1647 N LEU A 100 -0.992 0.183 -8.125 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.254 -0.514 -7.079 1.00 0.00 C ATOM 1649 C LEU A 100 -1.185 -1.435 -6.292 1.00 0.00 C ATOM 1650 O LEU A 100 -0.865 -2.597 -6.043 1.00 0.00 O ATOM 1651 CB LEU A 100 0.436 0.513 -6.147 1.00 0.00 C ATOM 1652 CG LEU A 100 1.522 -0.024 -5.178 1.00 0.00 C ATOM 1653 CD1 LEU A 100 0.911 -0.771 -3.998 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.512 -0.915 -5.919 1.00 0.00 C ATOM 0 H LEU A 100 -0.980 1.199 -8.037 1.00 0.00 H new ATOM 0 HA LEU A 100 0.517 -1.133 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.891 1.282 -6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.336 1.001 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 100 2.056 0.838 -4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.706 -1.130 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.258 -0.099 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.332 -1.618 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.265 -1.281 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.983 -1.761 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.997 -0.341 -6.709 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.350 -0.905 -5.921 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.337 -1.664 -5.160 1.00 0.00 C ATOM 1668 C LEU A 101 -3.816 -2.888 -5.925 1.00 0.00 C ATOM 1669 O LEU A 101 -3.970 -3.962 -5.339 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.531 -0.784 -4.770 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.424 -0.052 -3.425 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -4.365 -1.046 -2.277 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.215 0.871 -3.397 1.00 0.00 C ATOM 0 H LEU A 101 -2.632 0.051 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.844 -2.006 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.679 -0.041 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.424 -1.408 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.317 0.561 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.289 -0.507 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.269 -1.655 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.494 -1.690 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.165 1.376 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.307 0.287 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.305 1.613 -4.191 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.051 -2.735 -7.226 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.479 -3.863 -8.042 1.00 0.00 C ATOM 1687 C LYS A 102 -3.419 -4.957 -8.030 1.00 0.00 C ATOM 1688 O LYS A 102 -3.740 -6.131 -7.841 1.00 0.00 O ATOM 1689 CB LYS A 102 -4.796 -3.431 -9.482 1.00 0.00 C ATOM 1690 CG LYS A 102 -5.917 -2.401 -9.579 1.00 0.00 C ATOM 1691 CD LYS A 102 -6.389 -2.158 -11.021 1.00 0.00 C ATOM 1692 CE LYS A 102 -5.285 -1.628 -11.935 1.00 0.00 C ATOM 1693 NZ LYS A 102 -4.439 -2.715 -12.501 1.00 0.00 N ATOM 0 H LYS A 102 -3.954 -1.854 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.398 -4.259 -7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.895 -3.018 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.071 -4.311 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.762 -2.735 -8.978 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.575 -1.459 -9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.775 -3.091 -11.432 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.216 -1.448 -11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.734 -1.061 -12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.655 -0.937 -11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.454 -2.585 -12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.788 -3.636 -12.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.483 -2.684 -13.540 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.153 -4.579 -8.219 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.063 -5.557 -8.187 1.00 0.00 C ATOM 1709 C ASP A 103 -0.945 -6.228 -6.823 1.00 0.00 C ATOM 1710 O ASP A 103 -0.644 -7.422 -6.744 1.00 0.00 O ATOM 1711 CB ASP A 103 0.275 -4.915 -8.574 1.00 0.00 C ATOM 1712 CG ASP A 103 0.558 -5.000 -10.058 1.00 0.00 C ATOM 1713 OD1 ASP A 103 0.976 -6.077 -10.525 1.00 0.00 O ATOM 1714 OD2 ASP A 103 0.376 -3.992 -10.766 1.00 0.00 O ATOM 0 H ASP A 103 -1.860 -3.618 -8.393 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.307 -6.323 -8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.273 -3.869 -8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.080 -5.405 -8.026 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.183 -5.487 -5.744 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.116 -6.065 -4.409 1.00 0.00 C ATOM 1721 C LEU A 104 -2.205 -7.130 -4.232 1.00 0.00 C ATOM 1722 O LEU A 104 -1.952 -8.224 -3.726 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.261 -4.965 -3.352 1.00 0.00 C ATOM 1724 CG LEU A 104 -1.035 -5.394 -1.899 1.00 0.00 C ATOM 1725 CD1 LEU A 104 0.388 -5.901 -1.700 1.00 0.00 C ATOM 1726 CD2 LEU A 104 -1.329 -4.241 -0.953 1.00 0.00 C ATOM 0 H LEU A 104 -1.421 -4.496 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.145 -6.544 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.557 -4.167 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.262 -4.541 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.721 -6.210 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.526 -6.200 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.563 -6.758 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.094 -5.108 -1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.164 -4.563 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.669 -3.405 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.366 -3.928 -1.073 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.423 -6.796 -4.638 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.534 -7.747 -4.574 1.00 0.00 C ATOM 1740 C LYS A 105 -4.256 -8.971 -5.455 1.00 0.00 C ATOM 1741 O LYS A 105 -4.773 -10.059 -5.200 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.849 -7.070 -4.977 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.217 -5.859 -4.118 1.00 0.00 C ATOM 1744 CD LYS A 105 -6.445 -6.221 -2.642 1.00 0.00 C ATOM 1745 CE LYS A 105 -7.867 -6.723 -2.371 1.00 0.00 C ATOM 1746 NZ LYS A 105 -8.116 -8.092 -2.899 1.00 0.00 N ATOM 0 H LYS A 105 -3.670 -5.880 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.630 -8.090 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.779 -6.755 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.655 -7.802 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.422 -5.116 -4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.120 -5.397 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.730 -6.989 -2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.248 -5.346 -2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.049 -6.716 -1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.581 -6.032 -2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.976 -8.481 -2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.240 -8.049 -3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.306 -8.704 -2.673 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.437 -8.784 -6.488 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.023 -9.888 -7.345 1.00 0.00 C ATOM 1762 C GLU A 106 -2.147 -10.859 -6.551 1.00 0.00 C ATOM 1763 O GLU A 106 -2.323 -12.073 -6.628 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.259 -9.361 -8.571 1.00 0.00 C ATOM 1765 CG GLU A 106 -1.789 -10.447 -9.537 1.00 0.00 C ATOM 1766 CD GLU A 106 -2.930 -11.129 -10.266 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -3.416 -10.571 -11.272 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -3.336 -12.232 -9.855 1.00 0.00 O ATOM 0 H GLU A 106 -3.048 -7.878 -6.750 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.911 -10.414 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.900 -8.664 -9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.392 -8.797 -8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.111 -10.006 -10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.220 -11.195 -8.985 1.00 0.00 H new ATOM 1775 N THR A 107 -1.228 -10.313 -5.746 1.00 0.00 N ATOM 1776 CA THR A 107 -0.351 -11.153 -4.939 1.00 0.00 C ATOM 1777 C THR A 107 -1.145 -11.864 -3.847 1.00 0.00 C ATOM 1778 O THR A 107 -0.903 -13.040 -3.562 1.00 0.00 O ATOM 1779 CB THR A 107 0.852 -10.380 -4.329 1.00 0.00 C ATOM 1780 OG1 THR A 107 0.443 -9.119 -3.799 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.936 -10.162 -5.366 1.00 0.00 C ATOM 0 H THR A 107 -1.077 -9.310 -5.640 1.00 0.00 H new ATOM 0 HA THR A 107 0.074 -11.894 -5.616 1.00 0.00 H new ATOM 0 HB THR A 107 1.249 -10.990 -3.517 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.525 -9.128 -3.643 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.767 -9.619 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 107 2.288 -11.126 -5.732 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.533 -9.584 -6.197 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.087 -11.142 -3.232 1.00 0.00 N ATOM 1790 CA GLU A 108 -3.006 -11.707 -2.244 1.00 0.00 C ATOM 1791 C GLU A 108 -3.697 -12.948 -2.803 1.00 0.00 C ATOM 1792 O GLU A 108 -3.777 -13.988 -2.146 1.00 0.00 O ATOM 1793 CB GLU A 108 -4.048 -10.649 -1.884 1.00 0.00 C ATOM 1794 CG GLU A 108 -5.030 -11.062 -0.808 1.00 0.00 C ATOM 1795 CD GLU A 108 -6.127 -10.039 -0.627 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -7.113 -10.082 -1.398 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -6.013 -9.185 0.264 1.00 0.00 O ATOM 0 H GLU A 108 -2.232 -10.148 -3.407 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.447 -12.000 -1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.531 -9.747 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.605 -10.388 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.470 -12.025 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.500 -11.198 0.135 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.197 -12.824 -4.016 1.00 0.00 N ATOM 1805 CA GLN A 109 -4.851 -13.922 -4.691 1.00 0.00 C ATOM 1806 C GLN A 109 -3.886 -15.093 -4.892 1.00 0.00 C ATOM 1807 O GLN A 109 -4.255 -16.249 -4.716 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.418 -13.448 -6.025 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.189 -14.506 -6.784 1.00 0.00 C ATOM 1810 CD GLN A 109 -6.875 -13.943 -8.002 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -8.024 -13.502 -7.931 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -6.186 -13.946 -9.120 1.00 0.00 N ATOM 0 H GLN A 109 -4.161 -11.961 -4.559 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.673 -14.275 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -6.073 -12.596 -5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.598 -13.094 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -5.509 -15.302 -7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -6.932 -14.955 -6.125 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -5.238 -14.321 -9.134 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -6.599 -13.573 -9.975 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.648 -14.781 -5.235 1.00 0.00 N ATOM 1822 CA LYS A 110 -1.634 -15.803 -5.477 1.00 0.00 C ATOM 1823 C LYS A 110 -1.313 -16.602 -4.208 1.00 0.00 C ATOM 1824 O LYS A 110 -1.287 -17.836 -4.224 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.360 -15.169 -6.027 1.00 0.00 C ATOM 1826 CG LYS A 110 -0.539 -14.447 -7.349 1.00 0.00 C ATOM 1827 CD LYS A 110 -0.912 -15.404 -8.462 1.00 0.00 C ATOM 1828 CE LYS A 110 -1.131 -14.666 -9.768 1.00 0.00 C ATOM 1829 NZ LYS A 110 -1.347 -15.599 -10.897 1.00 0.00 N ATOM 0 H LYS A 110 -2.316 -13.824 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.041 -16.495 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.027 -14.464 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.394 -15.946 -6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.314 -13.687 -7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.384 -13.928 -7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.123 -16.145 -8.588 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.818 -15.946 -8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.993 -14.006 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.268 -14.035 -9.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.493 -15.057 -11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.514 -16.213 -11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.186 -16.184 -10.708 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.068 -15.891 -3.109 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.723 -16.543 -1.851 1.00 0.00 C ATOM 1845 C VAL A 111 -1.866 -17.434 -1.355 1.00 0.00 C ATOM 1846 O VAL A 111 -1.635 -18.541 -0.877 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.283 -15.521 -0.746 1.00 0.00 C ATOM 1848 CG1 VAL A 111 -1.376 -14.521 -0.429 1.00 0.00 C ATOM 1849 CG2 VAL A 111 0.159 -16.238 0.515 1.00 0.00 C ATOM 0 H VAL A 111 -1.102 -14.873 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 111 0.139 -17.178 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 111 0.565 -14.967 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.027 -13.833 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.628 -13.960 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.260 -15.049 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.459 -15.505 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.666 -16.836 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.003 -16.889 0.287 1.00 0.00 H new ATOM 1859 N LYS A 112 -3.100 -16.953 -1.488 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.264 -17.740 -1.095 1.00 0.00 C ATOM 1861 C LYS A 112 -4.527 -18.867 -2.099 1.00 0.00 C ATOM 1862 O LYS A 112 -5.288 -19.801 -1.822 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.502 -16.839 -0.955 1.00 0.00 C ATOM 1864 CG LYS A 112 -6.126 -16.402 -2.274 1.00 0.00 C ATOM 1865 CD LYS A 112 -7.238 -15.383 -2.055 1.00 0.00 C ATOM 1866 CE LYS A 112 -8.100 -15.213 -3.304 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.771 -16.480 -3.702 1.00 0.00 N ATOM 0 H LYS A 112 -3.318 -16.029 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.056 -18.193 -0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.255 -17.368 -0.371 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.225 -15.950 -0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.358 -15.971 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.526 -17.272 -2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.864 -15.700 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.803 -14.422 -1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.854 -14.447 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.479 -14.859 -4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.583 -16.265 -4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.098 -17.083 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.103 -16.979 -2.852 1.00 0.00 H new ATOM 1881 N ASP A 113 -3.905 -18.764 -3.266 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.051 -19.771 -4.316 1.00 0.00 C ATOM 1883 C ASP A 113 -3.165 -21.000 -4.056 1.00 0.00 C ATOM 1884 O ASP A 113 -3.530 -22.120 -4.416 1.00 0.00 O ATOM 1885 CB ASP A 113 -3.749 -19.170 -5.699 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.010 -20.131 -6.847 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -5.116 -20.711 -6.912 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -3.126 -20.284 -7.710 1.00 0.00 O ATOM 0 H ASP A 113 -3.290 -17.989 -3.513 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.089 -20.104 -4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.357 -18.276 -5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.706 -18.854 -5.730 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.009 -20.802 -3.414 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.106 -21.927 -3.100 1.00 0.00 C ATOM 1895 C ILE A 114 -1.663 -22.760 -1.940 1.00 0.00 C ATOM 1896 O ILE A 114 -1.820 -22.267 -0.816 1.00 0.00 O ATOM 1897 CB ILE A 114 0.346 -21.427 -2.758 1.00 0.00 C ATOM 1898 CG1 ILE A 114 1.194 -21.289 -4.031 1.00 0.00 C ATOM 1899 CG2 ILE A 114 1.047 -22.357 -1.772 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.648 -20.316 -5.042 1.00 0.00 C ATOM 0 H ILE A 114 -1.675 -19.890 -3.103 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.045 -22.554 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 114 0.242 -20.448 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.200 -20.976 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.284 -22.269 -4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.047 -21.977 -1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.474 -22.404 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.122 -23.355 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.309 -20.282 -5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.345 -20.637 -5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.584 -19.324 -4.595 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.001 -24.011 -2.234 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.486 -24.933 -1.219 1.00 0.00 C ATOM 1914 C GLN A 115 -1.337 -25.398 -0.320 1.00 0.00 C ATOM 1915 O GLN A 115 -0.322 -25.923 -0.796 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.167 -26.142 -1.867 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.271 -26.913 -2.818 1.00 0.00 C ATOM 1918 CD GLN A 115 -2.939 -28.142 -3.397 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -2.862 -29.232 -2.832 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -3.581 -27.983 -4.536 1.00 0.00 N ATOM 0 H GLN A 115 -1.947 -24.409 -3.172 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.219 -24.407 -0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.514 -26.815 -1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.050 -25.803 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.964 -26.256 -3.632 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.365 -27.213 -2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -3.623 -27.063 -4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -4.037 -28.780 -4.980 1.00 0.00 H new ATOM 1929 N THR A 116 -1.493 -25.191 0.959 1.00 0.00 N ATOM 1930 CA THR A 116 -0.495 -25.609 1.917 1.00 0.00 C ATOM 1931 C THR A 116 -1.035 -26.697 2.836 1.00 0.00 C ATOM 1932 O THR A 116 -2.146 -27.194 2.631 1.00 0.00 O ATOM 1933 CB THR A 116 0.011 -24.415 2.725 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.097 -23.676 3.246 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.856 -23.513 1.844 1.00 0.00 C ATOM 0 H THR A 116 -2.307 -24.732 1.368 1.00 0.00 H new ATOM 0 HA THR A 116 0.346 -26.029 1.364 1.00 0.00 H new ATOM 0 HB THR A 116 0.620 -24.781 3.552 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.121 -22.788 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 116 1.213 -22.664 2.428 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.709 -24.074 1.461 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.255 -23.152 1.010 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.258 -27.070 3.838 1.00 0.00 N ATOM 1944 CA GLN A 117 -0.664 -28.120 4.753 1.00 0.00 C ATOM 1945 C GLN A 117 -1.528 -27.551 5.861 1.00 0.00 C ATOM 1946 O GLN A 117 -0.972 -26.930 6.785 1.00 0.00 O ATOM 1947 CB GLN A 117 0.546 -28.834 5.347 1.00 0.00 C ATOM 1948 CG GLN A 117 1.550 -29.326 4.314 1.00 0.00 C ATOM 1949 CD GLN A 117 2.775 -29.944 4.954 1.00 0.00 C ATOM 1950 OE1 GLN A 117 3.170 -29.570 6.061 1.00 0.00 O ATOM 1951 NE2 GLN A 117 3.383 -30.889 4.269 1.00 0.00 N ATOM 1952 OXT GLN A 117 -2.758 -27.725 5.800 1.00 0.00 O ATOM 0 H GLN A 117 0.655 -26.662 4.038 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.245 -28.849 4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 117 1.052 -28.156 6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 117 0.200 -29.684 5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 117 1.071 -30.060 3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 117 1.855 -28.493 3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 117 3.024 -31.169 3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 117 4.214 -31.341 4.651 1.00 0.00 H new TER 1961 GLN A 117