USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 971 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 65 CYS SG : rot -81:sc= -0.396 USER MOD Set 1.2: A 70 THR OG1 : rot -109:sc= 1.03 USER MOD Set 1.3: A 106 MET CE :methyl -119:sc= -1.99 (180deg=-4.85!) USER MOD Set 2.1: A 61 THR OG1 : rot 100:sc= 1.21 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -1.62 K(o=-0.4,f=-14!) USER MOD Set 3.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 60 SER OG : rot -40:sc= 0.0941 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.294 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -146:sc= -0.0145 (180deg=-1.26) USER MOD Single : A 24 GLN : amide:sc= -2.22! C(o=-2.2!,f=-2!) USER MOD Single : A 31 SER OG : rot -100:sc= -0.895 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.368 K(o=-0.37,f=-5.8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= -0.0112 (180deg=-0.862) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.779 K(o=-0.78,f=-0.2) USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= -1.55 (180deg=-1.81) USER MOD Single : A 73 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 159:sc= -1.09 (180deg=-1.37) USER MOD Single : A 92 CYS SG : rot 101:sc= -0.392 USER MOD Single : A 93 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.62) USER MOD Single : A 95 MET CE :methyl 136:sc= -0.0312 (180deg=-0.162) USER MOD Single : A 101 SER OG : rot 150:sc= -3.2! USER MOD Single : A 102 GLN : amide:sc= -0.81 K(o=-0.81,f=-8.4!) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.0297 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -0.941 X(o=-0.94,f=-0.99) USER MOD Single : A 121 SER OG : rot 35:sc= 0.162 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.166 40.971 33.032 1.00 0.00 N ATOM 2 CA GLY A 1 -11.843 39.697 32.417 1.00 0.00 C ATOM 3 C GLY A 1 -10.685 39.799 31.444 1.00 0.00 C ATOM 4 O GLY A 1 -10.714 40.608 30.517 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.963 40.848 33.688 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.339 41.324 33.555 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.427 41.656 32.295 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.597 38.974 33.195 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.720 39.317 31.894 1.00 0.00 H new ATOM 8 N SER A 2 -9.662 38.978 31.656 1.00 0.00 N ATOM 9 CA SER A 2 -8.486 38.983 30.794 1.00 0.00 C ATOM 10 C SER A 2 -8.606 37.923 29.704 1.00 0.00 C ATOM 11 O SER A 2 -8.827 36.746 29.990 1.00 0.00 O ATOM 12 CB SER A 2 -7.221 38.741 31.619 1.00 0.00 C ATOM 13 OG SER A 2 -7.253 37.468 32.241 1.00 0.00 O ATOM 0 H SER A 2 -9.624 38.301 32.418 1.00 0.00 H new ATOM 0 HA SER A 2 -8.420 39.962 30.319 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.344 38.813 30.975 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.124 39.518 32.378 1.00 0.00 H new ATOM 0 HG SER A 2 -7.831 36.867 31.726 1.00 0.00 H new ATOM 19 N SER A 3 -8.460 38.349 28.454 1.00 0.00 N ATOM 20 CA SER A 3 -8.556 37.437 27.319 1.00 0.00 C ATOM 21 C SER A 3 -7.553 37.813 26.233 1.00 0.00 C ATOM 22 O SER A 3 -7.353 38.991 25.938 1.00 0.00 O ATOM 23 CB SER A 3 -9.975 37.451 26.746 1.00 0.00 C ATOM 24 OG SER A 3 -10.162 36.392 25.823 1.00 0.00 O ATOM 0 H SER A 3 -8.275 39.320 28.201 1.00 0.00 H new ATOM 0 HA SER A 3 -8.323 36.432 27.671 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.699 37.364 27.556 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.162 38.405 26.253 1.00 0.00 H new ATOM 0 HG SER A 3 -11.077 36.421 25.472 1.00 0.00 H new ATOM 30 N GLY A 4 -6.923 36.802 25.642 1.00 0.00 N ATOM 31 CA GLY A 4 -5.948 37.046 24.595 1.00 0.00 C ATOM 32 C GLY A 4 -5.155 35.804 24.241 1.00 0.00 C ATOM 33 O GLY A 4 -5.160 34.823 24.984 1.00 0.00 O ATOM 0 H GLY A 4 -7.070 35.819 25.870 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.459 37.413 23.705 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.264 37.831 24.916 1.00 0.00 H new ATOM 37 N SER A 5 -4.472 35.845 23.101 1.00 0.00 N ATOM 38 CA SER A 5 -3.675 34.711 22.647 1.00 0.00 C ATOM 39 C SER A 5 -2.243 34.813 23.162 1.00 0.00 C ATOM 40 O SER A 5 -1.795 35.882 23.575 1.00 0.00 O ATOM 41 CB SER A 5 -3.676 34.641 21.118 1.00 0.00 C ATOM 42 OG SER A 5 -2.805 35.611 20.563 1.00 0.00 O ATOM 0 H SER A 5 -4.455 36.650 22.475 1.00 0.00 H new ATOM 0 HA SER A 5 -4.122 33.800 23.046 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.369 33.646 20.796 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.688 34.799 20.744 1.00 0.00 H new ATOM 0 HG SER A 5 -2.822 35.545 19.585 1.00 0.00 H new ATOM 48 N SER A 6 -1.530 33.692 23.134 1.00 0.00 N ATOM 49 CA SER A 6 -0.149 33.652 23.601 1.00 0.00 C ATOM 50 C SER A 6 0.812 33.422 22.439 1.00 0.00 C ATOM 51 O SER A 6 1.838 34.091 22.325 1.00 0.00 O ATOM 52 CB SER A 6 0.026 32.551 24.648 1.00 0.00 C ATOM 53 OG SER A 6 -0.377 31.292 24.136 1.00 0.00 O ATOM 0 H SER A 6 -1.886 32.799 22.793 1.00 0.00 H new ATOM 0 HA SER A 6 0.082 34.616 24.055 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.069 32.503 24.959 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.561 32.791 25.535 1.00 0.00 H new ATOM 0 HG SER A 6 -0.254 30.605 24.824 1.00 0.00 H new ATOM 59 N GLY A 7 0.470 32.468 21.577 1.00 0.00 N ATOM 60 CA GLY A 7 1.312 32.165 20.434 1.00 0.00 C ATOM 61 C GLY A 7 1.491 30.674 20.225 1.00 0.00 C ATOM 62 O GLY A 7 1.589 29.914 21.188 1.00 0.00 O ATOM 0 H GLY A 7 -0.374 31.900 21.650 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.874 32.605 19.538 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.288 32.629 20.573 1.00 0.00 H new ATOM 66 N GLU A 8 1.531 30.256 18.964 1.00 0.00 N ATOM 67 CA GLU A 8 1.697 28.845 18.633 1.00 0.00 C ATOM 68 C GLU A 8 1.920 28.661 17.135 1.00 0.00 C ATOM 69 O GLU A 8 1.463 29.453 16.311 1.00 0.00 O ATOM 70 CB GLU A 8 0.470 28.046 19.080 1.00 0.00 C ATOM 71 CG GLU A 8 -0.791 28.383 18.302 1.00 0.00 C ATOM 72 CD GLU A 8 -1.518 29.589 18.863 1.00 0.00 C ATOM 73 OE1 GLU A 8 -2.352 29.408 19.775 1.00 0.00 O ATOM 74 OE2 GLU A 8 -1.253 30.714 18.391 1.00 0.00 O ATOM 0 H GLU A 8 1.451 30.873 18.156 1.00 0.00 H new ATOM 0 HA GLU A 8 2.575 28.474 19.162 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.680 26.982 18.972 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.293 28.230 20.140 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.531 28.572 17.261 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.460 27.523 18.312 1.00 0.00 H new ATOM 81 N PRO A 9 2.641 27.589 16.773 1.00 0.00 N ATOM 82 CA PRO A 9 2.943 27.275 15.373 1.00 0.00 C ATOM 83 C PRO A 9 1.707 26.826 14.601 1.00 0.00 C ATOM 84 O PRO A 9 1.100 25.804 14.921 1.00 0.00 O ATOM 85 CB PRO A 9 3.953 26.129 15.476 1.00 0.00 C ATOM 86 CG PRO A 9 3.670 25.493 16.793 1.00 0.00 C ATOM 87 CD PRO A 9 3.218 26.602 17.701 1.00 0.00 C ATOM 0 HA PRO A 9 3.317 28.144 14.832 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.830 25.418 14.659 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.977 26.498 15.426 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.900 24.728 16.699 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.560 25.003 17.189 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.482 26.253 18.425 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.049 27.021 18.268 1.00 0.00 H new ATOM 95 N ARG A 10 1.339 27.596 13.582 1.00 0.00 N ATOM 96 CA ARG A 10 0.175 27.278 12.764 1.00 0.00 C ATOM 97 C ARG A 10 0.595 26.628 11.449 1.00 0.00 C ATOM 98 O ARG A 10 -0.138 25.816 10.885 1.00 0.00 O ATOM 99 CB ARG A 10 -0.639 28.543 12.484 1.00 0.00 C ATOM 100 CG ARG A 10 -1.194 29.200 13.736 1.00 0.00 C ATOM 101 CD ARG A 10 -2.125 30.353 13.395 1.00 0.00 C ATOM 102 NE ARG A 10 -3.295 29.907 12.642 1.00 0.00 N ATOM 103 CZ ARG A 10 -4.435 30.587 12.584 1.00 0.00 C ATOM 104 NH1 ARG A 10 -4.557 31.738 13.229 1.00 0.00 N ATOM 105 NH2 ARG A 10 -5.454 30.115 11.878 1.00 0.00 N ATOM 0 H ARG A 10 1.831 28.445 13.303 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.444 26.571 13.317 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.010 29.260 11.956 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.465 28.293 11.818 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.732 28.460 14.329 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.372 29.565 14.352 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.450 30.841 14.314 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.582 31.098 12.813 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.233 29.025 12.133 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.775 32.104 13.772 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.433 32.258 13.183 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.363 29.230 11.380 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.329 30.637 11.834 1.00 0.00 H new ATOM 119 N ARG A 11 1.779 26.993 10.967 1.00 0.00 N ATOM 120 CA ARG A 11 2.295 26.447 9.717 1.00 0.00 C ATOM 121 C ARG A 11 2.726 24.994 9.896 1.00 0.00 C ATOM 122 O ARG A 11 3.226 24.594 10.948 1.00 0.00 O ATOM 123 CB ARG A 11 3.476 27.283 9.220 1.00 0.00 C ATOM 124 CG ARG A 11 4.735 27.116 10.055 1.00 0.00 C ATOM 125 CD ARG A 11 5.886 27.939 9.499 1.00 0.00 C ATOM 126 NE ARG A 11 6.205 27.573 8.121 1.00 0.00 N ATOM 127 CZ ARG A 11 7.391 27.784 7.561 1.00 0.00 C ATOM 128 NH1 ARG A 11 8.364 28.356 8.256 1.00 0.00 N ATOM 129 NH2 ARG A 11 7.604 27.423 6.302 1.00 0.00 N ATOM 0 H ARG A 11 2.398 27.664 11.422 1.00 0.00 H new ATOM 0 HA ARG A 11 1.496 26.483 8.976 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.696 27.009 8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.190 28.335 9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.534 27.418 11.083 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.018 26.064 10.082 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.629 28.997 9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.767 27.799 10.125 1.00 0.00 H new ATOM 0 HE ARG A 11 5.478 27.132 7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.203 28.636 9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.274 28.517 7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.857 26.983 5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.515 27.585 5.872 1.00 0.00 H new ATOM 143 N PRO A 12 2.529 24.185 8.845 1.00 0.00 N ATOM 144 CA PRO A 12 2.890 22.764 8.861 1.00 0.00 C ATOM 145 C PRO A 12 4.400 22.550 8.867 1.00 0.00 C ATOM 146 O PRO A 12 5.171 23.505 8.958 1.00 0.00 O ATOM 147 CB PRO A 12 2.279 22.228 7.564 1.00 0.00 C ATOM 148 CG PRO A 12 2.198 23.413 6.666 1.00 0.00 C ATOM 149 CD PRO A 12 1.938 24.594 7.560 1.00 0.00 C ATOM 0 HA PRO A 12 2.528 22.261 9.758 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.898 21.443 7.129 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.294 21.796 7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.125 23.543 6.107 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.399 23.294 5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.404 25.501 7.174 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.872 24.799 7.655 1.00 0.00 H new ATOM 157 N ARG A 13 4.815 21.291 8.770 1.00 0.00 N ATOM 158 CA ARG A 13 6.233 20.952 8.765 1.00 0.00 C ATOM 159 C ARG A 13 6.876 21.325 7.432 1.00 0.00 C ATOM 160 O ARG A 13 7.683 22.251 7.359 1.00 0.00 O ATOM 161 CB ARG A 13 6.423 19.459 9.035 1.00 0.00 C ATOM 162 CG ARG A 13 7.789 19.112 9.604 1.00 0.00 C ATOM 163 CD ARG A 13 8.077 17.623 9.493 1.00 0.00 C ATOM 164 NE ARG A 13 8.159 17.184 8.102 1.00 0.00 N ATOM 165 CZ ARG A 13 9.246 17.320 7.351 1.00 0.00 C ATOM 166 NH1 ARG A 13 10.337 17.879 7.854 1.00 0.00 N ATOM 167 NH2 ARG A 13 9.242 16.895 6.094 1.00 0.00 N ATOM 0 H ARG A 13 4.189 20.489 8.694 1.00 0.00 H new ATOM 0 HA ARG A 13 6.720 21.522 9.556 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.653 19.123 9.730 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.275 18.909 8.106 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.558 19.673 9.074 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.837 19.416 10.650 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.015 17.396 10.001 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.294 17.063 10.004 1.00 0.00 H new ATOM 0 HE ARG A 13 7.336 16.749 7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.343 18.206 8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.170 17.982 7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.404 16.464 5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.077 17.000 5.518 1.00 0.00 H new ATOM 181 N ALA A 14 6.513 20.596 6.382 1.00 0.00 N ATOM 182 CA ALA A 14 7.054 20.851 5.052 1.00 0.00 C ATOM 183 C ALA A 14 5.945 20.877 4.005 1.00 0.00 C ATOM 184 O ALA A 14 6.115 20.375 2.895 1.00 0.00 O ATOM 185 CB ALA A 14 8.095 19.800 4.695 1.00 0.00 C ATOM 0 H ALA A 14 5.847 19.825 6.426 1.00 0.00 H new ATOM 0 HA ALA A 14 7.532 21.831 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.490 20.003 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.907 19.831 5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.634 18.812 4.708 1.00 0.00 H new ATOM 191 N GLY A 15 4.810 21.466 4.367 1.00 0.00 N ATOM 192 CA GLY A 15 3.690 21.546 3.447 1.00 0.00 C ATOM 193 C GLY A 15 3.228 20.181 2.977 1.00 0.00 C ATOM 194 O GLY A 15 4.005 19.229 2.906 1.00 0.00 O ATOM 0 H GLY A 15 4.646 21.889 5.280 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.860 22.060 3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.975 22.147 2.584 1.00 0.00 H new ATOM 198 N PRO A 16 1.932 20.073 2.646 1.00 0.00 N ATOM 199 CA PRO A 16 1.338 18.818 2.176 1.00 0.00 C ATOM 200 C PRO A 16 1.826 18.431 0.784 1.00 0.00 C ATOM 201 O PRO A 16 1.394 17.425 0.222 1.00 0.00 O ATOM 202 CB PRO A 16 -0.162 19.123 2.150 1.00 0.00 C ATOM 203 CG PRO A 16 -0.245 20.601 1.985 1.00 0.00 C ATOM 204 CD PRO A 16 0.948 21.166 2.706 1.00 0.00 C ATOM 0 HA PRO A 16 1.605 17.977 2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.657 18.605 1.329 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.648 18.799 3.071 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.231 20.877 0.931 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.174 20.989 2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.320 22.069 2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.706 21.433 3.735 1.00 0.00 H new ATOM 212 N GLU A 17 2.730 19.237 0.234 1.00 0.00 N ATOM 213 CA GLU A 17 3.276 18.978 -1.093 1.00 0.00 C ATOM 214 C GLU A 17 4.371 17.917 -1.033 1.00 0.00 C ATOM 215 O GLU A 17 4.325 16.922 -1.756 1.00 0.00 O ATOM 216 CB GLU A 17 3.832 20.267 -1.701 1.00 0.00 C ATOM 217 CG GLU A 17 4.519 20.062 -3.041 1.00 0.00 C ATOM 218 CD GLU A 17 3.537 19.993 -4.195 1.00 0.00 C ATOM 219 OE1 GLU A 17 3.151 21.063 -4.709 1.00 0.00 O ATOM 220 OE2 GLU A 17 3.155 18.869 -4.583 1.00 0.00 O ATOM 0 H GLU A 17 3.099 20.073 0.687 1.00 0.00 H new ATOM 0 HA GLU A 17 2.468 18.607 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.018 20.981 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.541 20.711 -1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.221 20.878 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.102 19.142 -3.009 1.00 0.00 H new ATOM 227 N GLU A 18 5.354 18.138 -0.166 1.00 0.00 N ATOM 228 CA GLU A 18 6.462 17.202 -0.013 1.00 0.00 C ATOM 229 C GLU A 18 5.990 15.764 -0.210 1.00 0.00 C ATOM 230 O GLU A 18 6.455 15.064 -1.110 1.00 0.00 O ATOM 231 CB GLU A 18 7.102 17.357 1.368 1.00 0.00 C ATOM 232 CG GLU A 18 8.426 16.626 1.510 1.00 0.00 C ATOM 233 CD GLU A 18 9.509 17.202 0.618 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.601 18.443 0.522 1.00 0.00 O ATOM 235 OE2 GLU A 18 10.265 16.410 0.017 1.00 0.00 O ATOM 0 H GLU A 18 5.406 18.956 0.441 1.00 0.00 H new ATOM 0 HA GLU A 18 7.205 17.429 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.258 18.417 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.409 16.987 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.753 16.673 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.283 15.573 1.268 1.00 0.00 H new ATOM 242 N LEU A 19 5.065 15.331 0.639 1.00 0.00 N ATOM 243 CA LEU A 19 4.530 13.976 0.561 1.00 0.00 C ATOM 244 C LEU A 19 3.884 13.724 -0.798 1.00 0.00 C ATOM 245 O LEU A 19 4.158 12.717 -1.450 1.00 0.00 O ATOM 246 CB LEU A 19 3.507 13.745 1.675 1.00 0.00 C ATOM 247 CG LEU A 19 4.045 13.813 3.104 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.093 15.254 3.589 1.00 0.00 C ATOM 249 CD2 LEU A 19 3.194 12.964 4.036 1.00 0.00 C ATOM 0 H LEU A 19 4.670 15.898 1.389 1.00 0.00 H new ATOM 0 HA LEU A 19 5.357 13.277 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.713 14.485 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.052 12.766 1.526 1.00 0.00 H new ATOM 0 HG LEU A 19 5.060 13.415 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.479 15.282 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.746 15.836 2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.089 15.678 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.592 13.025 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.168 13.331 4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.211 11.927 3.701 1.00 0.00 H new ATOM 261 N GLY A 20 3.025 14.647 -1.220 1.00 0.00 N ATOM 262 CA GLY A 20 2.355 14.507 -2.500 1.00 0.00 C ATOM 263 C GLY A 20 3.313 14.149 -3.619 1.00 0.00 C ATOM 264 O GLY A 20 2.896 13.668 -4.673 1.00 0.00 O ATOM 0 H GLY A 20 2.781 15.489 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.587 13.737 -2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.847 15.440 -2.745 1.00 0.00 H new ATOM 268 N LYS A 21 4.600 14.386 -3.393 1.00 0.00 N ATOM 269 CA LYS A 21 5.621 14.086 -4.390 1.00 0.00 C ATOM 270 C LYS A 21 6.149 12.666 -4.218 1.00 0.00 C ATOM 271 O LYS A 21 6.567 12.028 -5.185 1.00 0.00 O ATOM 272 CB LYS A 21 6.775 15.087 -4.286 1.00 0.00 C ATOM 273 CG LYS A 21 6.454 16.448 -4.878 1.00 0.00 C ATOM 274 CD LYS A 21 7.700 17.127 -5.422 1.00 0.00 C ATOM 275 CE LYS A 21 7.455 18.603 -5.699 1.00 0.00 C ATOM 276 NZ LYS A 21 7.439 19.407 -4.445 1.00 0.00 N ATOM 0 H LYS A 21 4.962 14.786 -2.527 1.00 0.00 H new ATOM 0 HA LYS A 21 5.165 14.168 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.044 15.211 -3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.648 14.676 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.722 16.335 -5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.998 17.079 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.515 17.020 -4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.015 16.631 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.232 18.982 -6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.505 18.722 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.757 20.187 -4.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.161 18.800 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.387 19.796 -4.270 1.00 0.00 H new ATOM 290 N ILE A 22 6.126 12.176 -2.983 1.00 0.00 N ATOM 291 CA ILE A 22 6.600 10.830 -2.686 1.00 0.00 C ATOM 292 C ILE A 22 5.932 9.800 -3.591 1.00 0.00 C ATOM 293 O ILE A 22 6.605 9.062 -4.312 1.00 0.00 O ATOM 294 CB ILE A 22 6.338 10.453 -1.216 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.009 11.461 -0.281 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.841 9.045 -0.934 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.674 11.246 1.179 1.00 0.00 C ATOM 0 H ILE A 22 5.784 12.691 -2.172 1.00 0.00 H new ATOM 0 HA ILE A 22 7.675 10.826 -2.867 1.00 0.00 H new ATOM 0 HB ILE A 22 5.263 10.478 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.090 11.401 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.709 12.468 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.649 8.792 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.322 8.337 -1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.912 8.996 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.184 11.996 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.597 11.335 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.999 10.252 1.484 1.00 0.00 H new ATOM 309 N LEU A 23 4.605 9.757 -3.549 1.00 0.00 N ATOM 310 CA LEU A 23 3.844 8.819 -4.367 1.00 0.00 C ATOM 311 C LEU A 23 3.096 9.547 -5.479 1.00 0.00 C ATOM 312 O LEU A 23 1.906 9.318 -5.691 1.00 0.00 O ATOM 313 CB LEU A 23 2.856 8.039 -3.498 1.00 0.00 C ATOM 314 CG LEU A 23 3.469 7.179 -2.392 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.391 6.378 -1.679 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.533 6.254 -2.963 1.00 0.00 C ATOM 0 H LEU A 23 4.034 10.360 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 23 4.546 8.122 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.167 8.749 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.264 7.394 -4.146 1.00 0.00 H new ATOM 0 HG LEU A 23 3.942 7.840 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.846 5.772 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.665 7.059 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.888 5.727 -2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.958 5.650 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.084 5.601 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.321 6.848 -3.426 1.00 0.00 H new ATOM 328 N GLN A 24 3.803 10.424 -6.185 1.00 0.00 N ATOM 329 CA GLN A 24 3.205 11.185 -7.276 1.00 0.00 C ATOM 330 C GLN A 24 2.870 10.276 -8.454 1.00 0.00 C ATOM 331 O GLN A 24 3.762 9.731 -9.103 1.00 0.00 O ATOM 332 CB GLN A 24 4.152 12.298 -7.728 1.00 0.00 C ATOM 333 CG GLN A 24 3.690 13.015 -8.986 1.00 0.00 C ATOM 334 CD GLN A 24 2.576 14.007 -8.718 1.00 0.00 C ATOM 335 OE1 GLN A 24 2.803 15.217 -8.676 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.363 13.500 -8.533 1.00 0.00 N ATOM 0 H GLN A 24 4.790 10.625 -6.021 1.00 0.00 H new ATOM 0 HA GLN A 24 2.280 11.631 -6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.256 13.025 -6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.141 11.874 -7.904 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.536 13.537 -9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.348 12.279 -9.714 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.220 12.491 -8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.574 14.119 -8.347 1.00 0.00 H new ATOM 345 N GLY A 25 1.578 10.116 -8.723 1.00 0.00 N ATOM 346 CA GLY A 25 1.148 9.272 -9.823 1.00 0.00 C ATOM 347 C GLY A 25 1.006 7.818 -9.416 1.00 0.00 C ATOM 348 O GLY A 25 1.310 6.915 -10.196 1.00 0.00 O ATOM 0 H GLY A 25 0.821 10.556 -8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.193 9.635 -10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.867 9.349 -10.639 1.00 0.00 H new ATOM 352 N VAL A 26 0.543 7.591 -8.191 1.00 0.00 N ATOM 353 CA VAL A 26 0.362 6.236 -7.682 1.00 0.00 C ATOM 354 C VAL A 26 -1.093 5.982 -7.303 1.00 0.00 C ATOM 355 O VAL A 26 -1.832 6.911 -6.977 1.00 0.00 O ATOM 356 CB VAL A 26 1.254 5.975 -6.454 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.007 4.579 -5.902 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.721 6.164 -6.811 1.00 0.00 C ATOM 0 H VAL A 26 0.287 8.327 -7.533 1.00 0.00 H new ATOM 0 HA VAL A 26 0.650 5.555 -8.483 1.00 0.00 H new ATOM 0 HB VAL A 26 0.996 6.697 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.646 4.412 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.038 4.484 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.236 3.839 -6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.337 5.976 -5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.996 5.467 -7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.883 7.185 -7.155 1.00 0.00 H new ATOM 368 N VAL A 27 -1.498 4.717 -7.348 1.00 0.00 N ATOM 369 CA VAL A 27 -2.864 4.339 -7.008 1.00 0.00 C ATOM 370 C VAL A 27 -2.883 3.219 -5.974 1.00 0.00 C ATOM 371 O VAL A 27 -2.425 2.107 -6.238 1.00 0.00 O ATOM 372 CB VAL A 27 -3.648 3.886 -8.254 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.067 3.489 -7.878 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.654 4.984 -9.307 1.00 0.00 C ATOM 0 H VAL A 27 -0.899 3.936 -7.617 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.342 5.224 -6.589 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.152 3.012 -8.676 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.605 3.172 -8.771 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.037 2.668 -7.162 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.577 4.342 -7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.212 4.647 -10.181 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.125 5.878 -8.898 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.629 5.215 -9.598 1.00 0.00 H new ATOM 384 N VAL A 28 -3.418 3.519 -4.794 1.00 0.00 N ATOM 385 CA VAL A 28 -3.499 2.537 -3.720 1.00 0.00 C ATOM 386 C VAL A 28 -4.946 2.149 -3.438 1.00 0.00 C ATOM 387 O VAL A 28 -5.878 2.776 -3.942 1.00 0.00 O ATOM 388 CB VAL A 28 -2.859 3.069 -2.424 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.374 3.326 -2.627 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.569 4.332 -1.959 1.00 0.00 C ATOM 0 H VAL A 28 -3.802 4.434 -4.558 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.949 1.657 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.968 2.311 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.940 3.701 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.879 2.397 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.237 4.064 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.104 4.694 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.493 5.097 -2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.619 4.110 -1.770 1.00 0.00 H new ATOM 400 N VAL A 29 -5.128 1.111 -2.628 1.00 0.00 N ATOM 401 CA VAL A 29 -6.462 0.640 -2.276 1.00 0.00 C ATOM 402 C VAL A 29 -6.508 0.143 -0.836 1.00 0.00 C ATOM 403 O VAL A 29 -5.726 -0.722 -0.440 1.00 0.00 O ATOM 404 CB VAL A 29 -6.922 -0.493 -3.213 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.272 -1.037 -2.771 1.00 0.00 C ATOM 406 CG2 VAL A 29 -6.980 -0.004 -4.652 1.00 0.00 C ATOM 0 H VAL A 29 -4.368 0.580 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.136 1.489 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.195 -1.304 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.580 -1.836 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.192 -1.428 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.012 -0.237 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.307 -0.817 -5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.684 0.825 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.991 0.332 -4.962 1.00 0.00 H new ATOM 416 N LEU A 30 -7.429 0.696 -0.054 1.00 0.00 N ATOM 417 CA LEU A 30 -7.578 0.309 1.344 1.00 0.00 C ATOM 418 C LEU A 30 -8.406 -0.965 1.472 1.00 0.00 C ATOM 419 O LEU A 30 -9.578 -0.996 1.095 1.00 0.00 O ATOM 420 CB LEU A 30 -8.235 1.439 2.139 1.00 0.00 C ATOM 421 CG LEU A 30 -7.551 2.805 2.055 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.365 3.856 2.794 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.138 2.729 2.615 1.00 0.00 C ATOM 0 H LEU A 30 -8.084 1.414 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.585 0.117 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.263 1.548 1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.279 1.141 3.187 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.489 3.096 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.863 4.821 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.356 3.929 2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.460 3.572 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.667 3.709 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.176 2.416 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.557 2.007 2.041 1.00 0.00 H new ATOM 435 N SER A 31 -7.790 -2.014 2.006 1.00 0.00 N ATOM 436 CA SER A 31 -8.470 -3.292 2.182 1.00 0.00 C ATOM 437 C SER A 31 -8.336 -3.786 3.620 1.00 0.00 C ATOM 438 O SER A 31 -7.252 -3.754 4.200 1.00 0.00 O ATOM 439 CB SER A 31 -7.899 -4.334 1.218 1.00 0.00 C ATOM 440 OG SER A 31 -8.340 -5.638 1.557 1.00 0.00 O ATOM 0 H SER A 31 -6.821 -2.005 2.324 1.00 0.00 H new ATOM 0 HA SER A 31 -9.528 -3.146 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.204 -4.097 0.199 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.810 -4.297 1.241 1.00 0.00 H new ATOM 0 HG SER A 31 -7.634 -6.104 2.052 1.00 0.00 H new ATOM 446 N GLY A 32 -9.448 -4.243 4.188 1.00 0.00 N ATOM 447 CA GLY A 32 -9.434 -4.736 5.553 1.00 0.00 C ATOM 448 C GLY A 32 -9.170 -3.639 6.564 1.00 0.00 C ATOM 449 O GLY A 32 -8.410 -3.829 7.514 1.00 0.00 O ATOM 0 H GLY A 32 -10.357 -4.281 3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.391 -5.208 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.669 -5.506 5.650 1.00 0.00 H new ATOM 453 N PHE A 33 -9.797 -2.485 6.360 1.00 0.00 N ATOM 454 CA PHE A 33 -9.624 -1.351 7.260 1.00 0.00 C ATOM 455 C PHE A 33 -10.958 -0.933 7.872 1.00 0.00 C ATOM 456 O PHE A 33 -12.014 -1.123 7.270 1.00 0.00 O ATOM 457 CB PHE A 33 -9.001 -0.170 6.513 1.00 0.00 C ATOM 458 CG PHE A 33 -7.561 -0.388 6.142 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.570 -0.356 7.110 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.199 -0.624 4.826 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.245 -0.556 6.773 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.876 -0.825 4.482 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.897 -0.790 5.457 1.00 0.00 C ATOM 0 H PHE A 33 -10.430 -2.311 5.579 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.955 -1.657 8.064 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.576 0.021 5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.077 0.723 7.133 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.837 -0.173 8.140 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.960 -0.651 4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.483 -0.529 7.537 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.607 -1.009 3.452 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.862 -0.945 5.190 1.00 0.00 H new ATOM 473 N GLN A 34 -10.900 -0.364 9.071 1.00 0.00 N ATOM 474 CA GLN A 34 -12.103 0.080 9.765 1.00 0.00 C ATOM 475 C GLN A 34 -11.847 1.377 10.525 1.00 0.00 C ATOM 476 O GLN A 34 -10.951 1.449 11.365 1.00 0.00 O ATOM 477 CB GLN A 34 -12.589 -1.003 10.731 1.00 0.00 C ATOM 478 CG GLN A 34 -11.633 -1.263 11.884 1.00 0.00 C ATOM 479 CD GLN A 34 -12.084 -2.408 12.769 1.00 0.00 C ATOM 480 OE1 GLN A 34 -12.457 -2.203 13.925 1.00 0.00 O ATOM 481 NE2 GLN A 34 -12.054 -3.621 12.231 1.00 0.00 N ATOM 0 H GLN A 34 -10.033 -0.199 9.582 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.875 0.265 9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.559 -0.711 11.133 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.739 -1.930 10.178 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.642 -1.484 11.487 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.541 -0.359 12.485 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.738 -3.745 11.269 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.347 -4.430 12.779 1.00 0.00 H new ATOM 490 N ASN A 35 -12.639 2.400 10.222 1.00 0.00 N ATOM 491 CA ASN A 35 -12.497 3.696 10.876 1.00 0.00 C ATOM 492 C ASN A 35 -12.470 3.540 12.393 1.00 0.00 C ATOM 493 O ASN A 35 -13.010 2.586 12.954 1.00 0.00 O ATOM 494 CB ASN A 35 -13.643 4.625 10.468 1.00 0.00 C ATOM 495 CG ASN A 35 -15.003 3.976 10.644 1.00 0.00 C ATOM 496 OD1 ASN A 35 -15.198 2.813 10.292 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.951 4.729 11.189 1.00 0.00 N ATOM 0 H ASN A 35 -13.385 2.357 9.528 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.551 4.134 10.557 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.598 5.536 11.064 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.516 4.919 9.426 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.886 4.348 11.331 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.744 5.689 11.466 1.00 0.00 H new ATOM 504 N PRO A 36 -11.826 4.499 13.075 1.00 0.00 N ATOM 505 CA PRO A 36 -11.178 5.638 12.418 1.00 0.00 C ATOM 506 C PRO A 36 -9.937 5.227 11.633 1.00 0.00 C ATOM 507 O PRO A 36 -9.552 5.889 10.670 1.00 0.00 O ATOM 508 CB PRO A 36 -10.794 6.549 13.587 1.00 0.00 C ATOM 509 CG PRO A 36 -10.666 5.634 14.755 1.00 0.00 C ATOM 510 CD PRO A 36 -11.679 4.544 14.540 1.00 0.00 C ATOM 0 HA PRO A 36 -11.832 6.112 11.686 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.858 7.072 13.390 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.554 7.310 13.762 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.659 5.223 14.820 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.855 6.164 15.689 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.334 3.590 14.939 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.625 4.772 15.032 1.00 0.00 H new ATOM 518 N PHE A 37 -9.316 4.129 12.051 1.00 0.00 N ATOM 519 CA PHE A 37 -8.118 3.629 11.387 1.00 0.00 C ATOM 520 C PHE A 37 -8.176 3.898 9.886 1.00 0.00 C ATOM 521 O PHE A 37 -7.325 4.598 9.336 1.00 0.00 O ATOM 522 CB PHE A 37 -7.956 2.129 11.641 1.00 0.00 C ATOM 523 CG PHE A 37 -6.610 1.595 11.241 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.448 2.196 11.697 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.508 0.491 10.410 1.00 0.00 C ATOM 526 CE1 PHE A 37 -4.209 1.707 11.330 1.00 0.00 C ATOM 527 CE2 PHE A 37 -5.271 -0.003 10.039 1.00 0.00 C ATOM 528 CZ PHE A 37 -4.120 0.605 10.501 1.00 0.00 C ATOM 0 H PHE A 37 -9.623 3.569 12.846 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.258 4.155 11.800 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.117 1.928 12.700 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.729 1.590 11.093 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.511 3.056 12.347 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.405 0.011 10.048 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.311 2.186 11.691 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.205 -0.863 9.389 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.152 0.220 10.215 1.00 0.00 H new ATOM 538 N ARG A 38 -9.185 3.336 9.228 1.00 0.00 N ATOM 539 CA ARG A 38 -9.354 3.513 7.791 1.00 0.00 C ATOM 540 C ARG A 38 -9.173 4.977 7.399 1.00 0.00 C ATOM 541 O ARG A 38 -8.378 5.300 6.517 1.00 0.00 O ATOM 542 CB ARG A 38 -10.736 3.024 7.354 1.00 0.00 C ATOM 543 CG ARG A 38 -10.913 2.965 5.846 1.00 0.00 C ATOM 544 CD ARG A 38 -12.047 2.032 5.454 1.00 0.00 C ATOM 545 NE ARG A 38 -12.062 1.761 4.019 1.00 0.00 N ATOM 546 CZ ARG A 38 -12.632 0.690 3.479 1.00 0.00 C ATOM 547 NH1 ARG A 38 -13.230 -0.207 4.251 1.00 0.00 N ATOM 548 NH2 ARG A 38 -12.604 0.514 2.164 1.00 0.00 N ATOM 0 H ARG A 38 -9.898 2.754 9.668 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.591 2.922 7.285 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.909 2.032 7.771 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.495 3.683 7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.115 3.965 5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.986 2.627 5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.949 1.093 5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.999 2.474 5.749 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.610 2.431 3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.253 -0.075 5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.667 -1.029 3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.144 1.202 1.567 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.042 -0.309 1.750 1.00 0.00 H new ATOM 562 N SER A 39 -9.918 5.858 8.060 1.00 0.00 N ATOM 563 CA SER A 39 -9.843 7.286 7.778 1.00 0.00 C ATOM 564 C SER A 39 -8.421 7.805 7.970 1.00 0.00 C ATOM 565 O SER A 39 -7.815 8.343 7.044 1.00 0.00 O ATOM 566 CB SER A 39 -10.806 8.058 8.682 1.00 0.00 C ATOM 567 OG SER A 39 -11.014 9.374 8.201 1.00 0.00 O ATOM 0 H SER A 39 -10.580 5.607 8.794 1.00 0.00 H new ATOM 0 HA SER A 39 -10.130 7.440 6.738 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.759 7.532 8.736 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.406 8.097 9.695 1.00 0.00 H new ATOM 0 HG SER A 39 -11.634 9.845 8.795 1.00 0.00 H new ATOM 573 N GLU A 40 -7.896 7.637 9.180 1.00 0.00 N ATOM 574 CA GLU A 40 -6.545 8.089 9.494 1.00 0.00 C ATOM 575 C GLU A 40 -5.570 7.701 8.387 1.00 0.00 C ATOM 576 O GLU A 40 -4.777 8.523 7.925 1.00 0.00 O ATOM 577 CB GLU A 40 -6.083 7.496 10.827 1.00 0.00 C ATOM 578 CG GLU A 40 -4.614 7.744 11.126 1.00 0.00 C ATOM 579 CD GLU A 40 -4.254 7.445 12.569 1.00 0.00 C ATOM 580 OE1 GLU A 40 -4.369 6.272 12.979 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.857 8.387 13.288 1.00 0.00 O ATOM 0 H GLU A 40 -8.384 7.192 9.957 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.562 9.176 9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.685 7.918 11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.268 6.422 10.821 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.004 7.126 10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.372 8.783 10.903 1.00 0.00 H new ATOM 588 N LEU A 41 -5.633 6.442 7.965 1.00 0.00 N ATOM 589 CA LEU A 41 -4.756 5.943 6.912 1.00 0.00 C ATOM 590 C LEU A 41 -5.040 6.645 5.588 1.00 0.00 C ATOM 591 O LEU A 41 -4.121 7.080 4.895 1.00 0.00 O ATOM 592 CB LEU A 41 -4.930 4.432 6.750 1.00 0.00 C ATOM 593 CG LEU A 41 -4.166 3.789 5.592 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.669 3.999 5.757 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.491 2.305 5.497 1.00 0.00 C ATOM 0 H LEU A 41 -6.282 5.749 8.336 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.726 6.155 7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.619 3.949 7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.991 4.220 6.621 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.479 4.269 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.142 3.534 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.451 5.067 5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.339 3.546 6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.938 1.864 4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.207 1.810 6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.560 2.177 5.330 1.00 0.00 H new ATOM 607 N ARG A 42 -6.320 6.752 5.244 1.00 0.00 N ATOM 608 CA ARG A 42 -6.726 7.402 4.004 1.00 0.00 C ATOM 609 C ARG A 42 -5.957 8.704 3.796 1.00 0.00 C ATOM 610 O ARG A 42 -5.341 8.912 2.750 1.00 0.00 O ATOM 611 CB ARG A 42 -8.229 7.681 4.018 1.00 0.00 C ATOM 612 CG ARG A 42 -8.688 8.606 2.902 1.00 0.00 C ATOM 613 CD ARG A 42 -8.817 7.863 1.582 1.00 0.00 C ATOM 614 NE ARG A 42 -8.960 8.777 0.451 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.041 9.520 0.239 1.00 0.00 C ATOM 616 NH1 ARG A 42 -11.067 9.457 1.076 1.00 0.00 N ATOM 617 NH2 ARG A 42 -10.096 10.327 -0.812 1.00 0.00 N ATOM 0 H ARG A 42 -7.093 6.397 5.807 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.497 6.729 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.766 6.736 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.499 8.122 4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.648 9.049 3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.978 9.426 2.792 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.939 7.235 1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.680 7.199 1.623 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.188 8.849 -0.212 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.028 8.837 1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.896 10.028 0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.308 10.377 -1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.926 10.897 -0.974 1.00 0.00 H new ATOM 631 N ASP A 43 -5.999 9.576 4.796 1.00 0.00 N ATOM 632 CA ASP A 43 -5.307 10.857 4.723 1.00 0.00 C ATOM 633 C ASP A 43 -3.822 10.657 4.437 1.00 0.00 C ATOM 634 O ASP A 43 -3.281 11.218 3.484 1.00 0.00 O ATOM 635 CB ASP A 43 -5.488 11.634 6.029 1.00 0.00 C ATOM 636 CG ASP A 43 -5.389 13.133 5.829 1.00 0.00 C ATOM 637 OD1 ASP A 43 -5.990 13.643 4.860 1.00 0.00 O ATOM 638 OD2 ASP A 43 -4.711 13.797 6.641 1.00 0.00 O ATOM 0 H ASP A 43 -6.505 9.419 5.668 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.742 11.431 3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.459 11.391 6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.731 11.315 6.746 1.00 0.00 H new ATOM 643 N LYS A 44 -3.167 9.855 5.270 1.00 0.00 N ATOM 644 CA LYS A 44 -1.745 9.580 5.107 1.00 0.00 C ATOM 645 C LYS A 44 -1.416 9.252 3.654 1.00 0.00 C ATOM 646 O LYS A 44 -0.487 9.815 3.076 1.00 0.00 O ATOM 647 CB LYS A 44 -1.323 8.419 6.011 1.00 0.00 C ATOM 648 CG LYS A 44 -1.245 8.790 7.481 1.00 0.00 C ATOM 649 CD LYS A 44 -1.044 7.563 8.356 1.00 0.00 C ATOM 650 CE LYS A 44 -1.016 7.930 9.832 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.351 6.766 10.699 1.00 0.00 N ATOM 0 H LYS A 44 -3.599 9.384 6.065 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.193 10.475 5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.031 7.599 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.350 8.051 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.423 9.488 7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.160 9.303 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.847 6.849 8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.110 7.070 8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.027 8.306 10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.724 8.738 10.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.717 7.106 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.074 6.182 10.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.496 6.196 10.860 1.00 0.00 H new ATOM 665 N ALA A 45 -2.186 8.341 3.069 1.00 0.00 N ATOM 666 CA ALA A 45 -1.979 7.942 1.682 1.00 0.00 C ATOM 667 C ALA A 45 -2.174 9.122 0.737 1.00 0.00 C ATOM 668 O ALA A 45 -1.413 9.300 -0.215 1.00 0.00 O ATOM 669 CB ALA A 45 -2.921 6.806 1.313 1.00 0.00 C ATOM 0 H ALA A 45 -2.959 7.865 3.534 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.951 7.594 1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.755 6.519 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.731 5.951 1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.953 7.134 1.438 1.00 0.00 H new ATOM 675 N LEU A 46 -3.198 9.925 1.004 1.00 0.00 N ATOM 676 CA LEU A 46 -3.494 11.089 0.176 1.00 0.00 C ATOM 677 C LEU A 46 -2.327 12.072 0.181 1.00 0.00 C ATOM 678 O LEU A 46 -1.951 12.608 -0.861 1.00 0.00 O ATOM 679 CB LEU A 46 -4.763 11.784 0.672 1.00 0.00 C ATOM 680 CG LEU A 46 -6.068 11.007 0.490 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.201 11.683 1.248 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.412 10.882 -0.987 1.00 0.00 C ATOM 0 H LEU A 46 -3.837 9.791 1.787 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.652 10.746 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.641 12.007 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.857 12.739 0.154 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.933 10.005 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.122 11.117 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.957 11.721 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.337 12.697 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.343 10.326 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.529 11.876 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.611 10.354 -1.504 1.00 0.00 H new ATOM 694 N GLU A 47 -1.759 12.301 1.361 1.00 0.00 N ATOM 695 CA GLU A 47 -0.634 13.219 1.500 1.00 0.00 C ATOM 696 C GLU A 47 0.492 12.849 0.539 1.00 0.00 C ATOM 697 O GLU A 47 1.019 13.703 -0.175 1.00 0.00 O ATOM 698 CB GLU A 47 -0.115 13.209 2.939 1.00 0.00 C ATOM 699 CG GLU A 47 -0.786 14.236 3.836 1.00 0.00 C ATOM 700 CD GLU A 47 -0.936 15.587 3.164 1.00 0.00 C ATOM 701 OE1 GLU A 47 0.004 16.403 3.257 1.00 0.00 O ATOM 702 OE2 GLU A 47 -1.994 15.828 2.546 1.00 0.00 O ATOM 0 H GLU A 47 -2.059 11.865 2.233 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.983 14.222 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.264 12.216 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.959 13.394 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.769 13.869 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.203 14.351 4.750 1.00 0.00 H new ATOM 709 N LEU A 48 0.856 11.572 0.527 1.00 0.00 N ATOM 710 CA LEU A 48 1.920 11.088 -0.346 1.00 0.00 C ATOM 711 C LEU A 48 1.598 11.377 -1.808 1.00 0.00 C ATOM 712 O LEU A 48 2.494 11.455 -2.648 1.00 0.00 O ATOM 713 CB LEU A 48 2.128 9.585 -0.144 1.00 0.00 C ATOM 714 CG LEU A 48 2.281 9.117 1.303 1.00 0.00 C ATOM 715 CD1 LEU A 48 1.743 7.704 1.467 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.738 9.189 1.736 1.00 0.00 C ATOM 0 H LEU A 48 0.430 10.853 1.112 1.00 0.00 H new ATOM 0 HA LEU A 48 2.838 11.614 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.283 9.059 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.017 9.284 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 48 1.700 9.781 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.860 7.388 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.687 7.683 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.296 7.026 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.828 8.852 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.341 8.549 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.090 10.218 1.658 1.00 0.00 H new ATOM 728 N GLY A 49 0.312 11.536 -2.106 1.00 0.00 N ATOM 729 CA GLY A 49 -0.105 11.817 -3.467 1.00 0.00 C ATOM 730 C GLY A 49 -0.606 10.580 -4.187 1.00 0.00 C ATOM 731 O GLY A 49 -0.535 10.495 -5.412 1.00 0.00 O ATOM 0 H GLY A 49 -0.448 11.475 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.893 12.570 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.733 12.241 -4.020 1.00 0.00 H new ATOM 735 N ALA A 50 -1.114 9.618 -3.423 1.00 0.00 N ATOM 736 CA ALA A 50 -1.629 8.381 -3.995 1.00 0.00 C ATOM 737 C ALA A 50 -3.146 8.434 -4.143 1.00 0.00 C ATOM 738 O ALA A 50 -3.830 9.124 -3.387 1.00 0.00 O ATOM 739 CB ALA A 50 -1.222 7.192 -3.137 1.00 0.00 C ATOM 0 H ALA A 50 -1.180 9.672 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.197 8.263 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.614 6.275 -3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.135 7.135 -3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.626 7.314 -2.132 1.00 0.00 H new ATOM 745 N LYS A 51 -3.666 7.703 -5.123 1.00 0.00 N ATOM 746 CA LYS A 51 -5.103 7.666 -5.371 1.00 0.00 C ATOM 747 C LYS A 51 -5.781 6.626 -4.484 1.00 0.00 C ATOM 748 O LYS A 51 -5.337 5.481 -4.402 1.00 0.00 O ATOM 749 CB LYS A 51 -5.379 7.354 -6.843 1.00 0.00 C ATOM 750 CG LYS A 51 -5.234 8.558 -7.757 1.00 0.00 C ATOM 751 CD LYS A 51 -3.773 8.908 -7.990 1.00 0.00 C ATOM 752 CE LYS A 51 -3.615 10.334 -8.493 1.00 0.00 C ATOM 753 NZ LYS A 51 -4.122 10.492 -9.885 1.00 0.00 N ATOM 0 H LYS A 51 -3.114 7.128 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.514 8.647 -5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.695 6.572 -7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.389 6.956 -6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.716 8.351 -8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.749 9.413 -7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.216 8.785 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.343 8.216 -8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.152 11.014 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.563 10.618 -8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.996 11.478 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.592 9.862 -10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.132 10.246 -9.917 1.00 0.00 H new ATOM 767 N TYR A 52 -6.859 7.033 -3.823 1.00 0.00 N ATOM 768 CA TYR A 52 -7.598 6.137 -2.941 1.00 0.00 C ATOM 769 C TYR A 52 -8.881 5.651 -3.610 1.00 0.00 C ATOM 770 O TYR A 52 -9.843 6.406 -3.755 1.00 0.00 O ATOM 771 CB TYR A 52 -7.931 6.842 -1.625 1.00 0.00 C ATOM 772 CG TYR A 52 -9.151 6.281 -0.930 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.091 5.074 -0.245 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.363 6.960 -0.957 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.203 4.558 0.392 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.480 6.452 -0.322 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.395 5.250 0.350 1.00 0.00 C ATOM 778 OH TYR A 52 -12.505 4.740 0.984 1.00 0.00 O ATOM 0 H TYR A 52 -7.241 7.977 -3.881 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.968 5.272 -2.732 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.075 6.766 -0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.090 7.902 -1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.159 4.530 -0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.433 7.901 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.139 3.618 0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.414 6.993 -0.351 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.262 5.350 0.859 1.00 0.00 H new ATOM 788 N ARG A 53 -8.887 4.385 -4.013 1.00 0.00 N ATOM 789 CA ARG A 53 -10.051 3.797 -4.666 1.00 0.00 C ATOM 790 C ARG A 53 -10.789 2.857 -3.718 1.00 0.00 C ATOM 791 O ARG A 53 -10.184 2.114 -2.945 1.00 0.00 O ATOM 792 CB ARG A 53 -9.626 3.039 -5.925 1.00 0.00 C ATOM 793 CG ARG A 53 -8.922 3.910 -6.952 1.00 0.00 C ATOM 794 CD ARG A 53 -9.914 4.579 -7.890 1.00 0.00 C ATOM 795 NE ARG A 53 -9.327 5.722 -8.584 1.00 0.00 N ATOM 796 CZ ARG A 53 -9.796 6.209 -9.727 1.00 0.00 C ATOM 797 NH1 ARG A 53 -10.855 5.655 -10.302 1.00 0.00 N ATOM 798 NH2 ARG A 53 -9.207 7.251 -10.298 1.00 0.00 N ATOM 0 H ARG A 53 -8.100 3.747 -3.899 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.726 4.605 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.964 2.221 -5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.507 2.591 -6.384 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.332 4.671 -6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.226 3.302 -7.530 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.267 3.853 -8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.784 4.908 -7.322 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.511 6.171 -8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.311 4.853 -9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.214 6.031 -11.180 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.392 7.680 -9.859 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.569 7.623 -11.176 1.00 0.00 H new ATOM 812 N PRO A 54 -12.129 2.889 -3.777 1.00 0.00 N ATOM 813 CA PRO A 54 -12.979 2.046 -2.931 1.00 0.00 C ATOM 814 C PRO A 54 -12.900 0.572 -3.315 1.00 0.00 C ATOM 815 O PRO A 54 -13.292 -0.302 -2.542 1.00 0.00 O ATOM 816 CB PRO A 54 -14.386 2.591 -3.188 1.00 0.00 C ATOM 817 CG PRO A 54 -14.313 3.206 -4.543 1.00 0.00 C ATOM 818 CD PRO A 54 -12.917 3.750 -4.675 1.00 0.00 C ATOM 0 HA PRO A 54 -12.677 2.083 -1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.131 1.796 -3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.670 3.326 -2.435 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.519 2.468 -5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.053 3.999 -4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.559 3.693 -5.703 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.864 4.797 -4.377 1.00 0.00 H new ATOM 826 N ASP A 55 -12.390 0.304 -4.511 1.00 0.00 N ATOM 827 CA ASP A 55 -12.258 -1.065 -4.997 1.00 0.00 C ATOM 828 C ASP A 55 -11.060 -1.196 -5.933 1.00 0.00 C ATOM 829 O ASP A 55 -10.548 -0.200 -6.445 1.00 0.00 O ATOM 830 CB ASP A 55 -13.535 -1.498 -5.718 1.00 0.00 C ATOM 831 CG ASP A 55 -14.780 -1.248 -4.891 1.00 0.00 C ATOM 832 OD1 ASP A 55 -15.088 -2.084 -4.015 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.446 -0.217 -5.119 1.00 0.00 O ATOM 0 H ASP A 55 -12.061 1.016 -5.163 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.097 -1.716 -4.138 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.616 -0.960 -6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.470 -2.559 -5.960 1.00 0.00 H new ATOM 838 N TRP A 56 -10.619 -2.429 -6.151 1.00 0.00 N ATOM 839 CA TRP A 56 -9.481 -2.690 -7.025 1.00 0.00 C ATOM 840 C TRP A 56 -9.791 -2.281 -8.460 1.00 0.00 C ATOM 841 O TRP A 56 -10.454 -3.012 -9.196 1.00 0.00 O ATOM 842 CB TRP A 56 -9.102 -4.171 -6.975 1.00 0.00 C ATOM 843 CG TRP A 56 -7.769 -4.465 -7.595 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.533 -5.205 -8.718 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.490 -4.027 -7.124 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.184 -5.253 -8.974 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.523 -4.537 -8.012 1.00 0.00 C ATOM 848 CE3 TRP A 56 -6.068 -3.251 -6.041 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.161 -4.297 -7.847 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.717 -3.013 -5.879 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.776 -3.534 -6.778 1.00 0.00 C ATOM 0 H TRP A 56 -11.032 -3.264 -5.735 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.640 -2.094 -6.671 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -9.092 -4.501 -5.936 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.869 -4.752 -7.487 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.295 -5.682 -9.317 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.746 -5.743 -9.754 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.785 -2.845 -5.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.435 -4.699 -8.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.380 -2.415 -5.045 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.727 -3.329 -6.624 1.00 0.00 H new ATOM 862 N THR A 57 -9.308 -1.106 -8.854 1.00 0.00 N ATOM 863 CA THR A 57 -9.535 -0.599 -10.202 1.00 0.00 C ATOM 864 C THR A 57 -8.381 -0.965 -11.128 1.00 0.00 C ATOM 865 O THR A 57 -7.419 -1.612 -10.712 1.00 0.00 O ATOM 866 CB THR A 57 -9.715 0.930 -10.203 1.00 0.00 C ATOM 867 OG1 THR A 57 -8.586 1.557 -9.585 1.00 0.00 O ATOM 868 CG2 THR A 57 -10.987 1.326 -9.468 1.00 0.00 C ATOM 0 H THR A 57 -8.757 -0.488 -8.258 1.00 0.00 H new ATOM 0 HA THR A 57 -10.451 -1.065 -10.566 1.00 0.00 H new ATOM 0 HB THR A 57 -9.794 1.263 -11.238 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.708 2.529 -9.591 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.093 2.411 -9.482 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.847 0.871 -9.959 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.933 0.980 -8.436 1.00 0.00 H new ATOM 876 N ARG A 58 -8.482 -0.546 -12.385 1.00 0.00 N ATOM 877 CA ARG A 58 -7.446 -0.829 -13.371 1.00 0.00 C ATOM 878 C ARG A 58 -6.196 0.003 -13.101 1.00 0.00 C ATOM 879 O ARG A 58 -5.076 -0.440 -13.356 1.00 0.00 O ATOM 880 CB ARG A 58 -7.964 -0.548 -14.782 1.00 0.00 C ATOM 881 CG ARG A 58 -7.171 -1.248 -15.873 1.00 0.00 C ATOM 882 CD ARG A 58 -6.022 -0.384 -16.369 1.00 0.00 C ATOM 883 NE ARG A 58 -5.343 -0.981 -17.516 1.00 0.00 N ATOM 884 CZ ARG A 58 -5.752 -0.835 -18.771 1.00 0.00 C ATOM 885 NH1 ARG A 58 -6.832 -0.114 -19.039 1.00 0.00 N ATOM 886 NH2 ARG A 58 -5.081 -1.409 -19.760 1.00 0.00 N ATOM 0 H ARG A 58 -9.271 -0.009 -12.745 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.183 -1.884 -13.292 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.007 -0.860 -14.846 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.941 0.527 -14.961 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.780 -2.191 -15.492 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.831 -1.490 -16.706 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.401 0.600 -16.644 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.306 -0.235 -15.561 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.508 -1.541 -17.344 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.350 0.330 -18.281 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.145 -0.003 -20.004 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.249 -1.964 -19.557 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.396 -1.296 -20.723 1.00 0.00 H new ATOM 900 N ASP A 59 -6.396 1.210 -12.585 1.00 0.00 N ATOM 901 CA ASP A 59 -5.285 2.105 -12.280 1.00 0.00 C ATOM 902 C ASP A 59 -4.545 1.645 -11.028 1.00 0.00 C ATOM 903 O ASP A 59 -3.409 2.052 -10.781 1.00 0.00 O ATOM 904 CB ASP A 59 -5.792 3.536 -12.091 1.00 0.00 C ATOM 905 CG ASP A 59 -6.579 4.034 -13.287 1.00 0.00 C ATOM 906 OD1 ASP A 59 -6.009 4.073 -14.398 1.00 0.00 O ATOM 907 OD2 ASP A 59 -7.765 4.384 -13.112 1.00 0.00 O ATOM 0 H ASP A 59 -7.317 1.592 -12.369 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.591 2.082 -13.120 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.421 3.581 -11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.944 4.199 -11.916 1.00 0.00 H new ATOM 912 N SER A 60 -5.196 0.796 -10.240 1.00 0.00 N ATOM 913 CA SER A 60 -4.602 0.284 -9.010 1.00 0.00 C ATOM 914 C SER A 60 -3.231 -0.328 -9.283 1.00 0.00 C ATOM 915 O SER A 60 -3.109 -1.299 -10.032 1.00 0.00 O ATOM 916 CB SER A 60 -5.520 -0.759 -8.370 1.00 0.00 C ATOM 917 OG SER A 60 -6.618 -0.141 -7.721 1.00 0.00 O ATOM 0 H SER A 60 -6.135 0.448 -10.431 1.00 0.00 H new ATOM 0 HA SER A 60 -4.478 1.119 -8.321 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.884 -1.445 -9.134 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.956 -1.353 -7.651 1.00 0.00 H new ATOM 0 HG SER A 60 -6.312 0.668 -7.260 1.00 0.00 H new ATOM 923 N THR A 61 -2.201 0.246 -8.671 1.00 0.00 N ATOM 924 CA THR A 61 -0.838 -0.241 -8.847 1.00 0.00 C ATOM 925 C THR A 61 -0.344 -0.958 -7.596 1.00 0.00 C ATOM 926 O THR A 61 0.378 -1.947 -7.715 1.00 0.00 O ATOM 927 CB THR A 61 0.130 0.909 -9.182 1.00 0.00 C ATOM 928 OG1 THR A 61 0.000 1.957 -8.215 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.144 1.459 -10.574 1.00 0.00 C ATOM 0 H THR A 61 -2.284 1.050 -8.048 1.00 0.00 H new ATOM 0 HA THR A 61 -0.859 -0.943 -9.680 1.00 0.00 H new ATOM 0 HB THR A 61 1.147 0.517 -9.157 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.726 1.889 -7.560 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.552 2.270 -10.788 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.015 0.666 -11.311 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.166 1.836 -10.622 1.00 0.00 H new ATOM 937 N HIS A 62 -0.738 -0.452 -6.437 1.00 0.00 N ATOM 938 CA HIS A 62 -0.329 -1.053 -5.179 1.00 0.00 C ATOM 939 C HIS A 62 -1.564 -1.353 -4.328 1.00 0.00 C ATOM 940 O HIS A 62 -2.541 -0.603 -4.306 1.00 0.00 O ATOM 941 CB HIS A 62 0.687 -0.166 -4.458 1.00 0.00 C ATOM 942 CG HIS A 62 1.866 0.237 -5.311 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.724 0.826 -6.556 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.207 0.130 -5.086 1.00 0.00 C ATOM 945 CE1 HIS A 62 2.932 1.058 -7.049 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.850 0.625 -6.137 1.00 0.00 N ATOM 0 H HIS A 62 -1.337 0.368 -6.343 1.00 0.00 H new ATOM 0 HA HIS A 62 0.175 -2.000 -5.371 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.183 0.734 -4.105 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.053 -0.693 -3.577 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.668 -0.287 -4.203 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.151 1.510 -8.005 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.863 0.674 -6.245 1.00 0.00 H new ATOM 954 N LEU A 63 -1.499 -2.476 -3.621 1.00 0.00 N ATOM 955 CA LEU A 63 -2.597 -2.902 -2.759 1.00 0.00 C ATOM 956 C LEU A 63 -2.217 -2.767 -1.288 1.00 0.00 C ATOM 957 O LEU A 63 -1.288 -3.422 -0.814 1.00 0.00 O ATOM 958 CB LEU A 63 -2.982 -4.349 -3.068 1.00 0.00 C ATOM 959 CG LEU A 63 -3.810 -5.066 -2.001 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.211 -4.479 -1.930 1.00 0.00 C ATOM 961 CD2 LEU A 63 -3.870 -6.560 -2.286 1.00 0.00 C ATOM 0 H LEU A 63 -0.698 -3.108 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.453 -2.256 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.541 -4.363 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.068 -4.919 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.327 -4.920 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.786 -5.001 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.150 -3.420 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.703 -4.594 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.463 -7.054 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.329 -6.726 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.861 -6.971 -2.286 1.00 0.00 H new ATOM 973 N ILE A 64 -2.943 -1.917 -0.570 1.00 0.00 N ATOM 974 CA ILE A 64 -2.684 -1.700 0.848 1.00 0.00 C ATOM 975 C ILE A 64 -3.435 -2.713 1.705 1.00 0.00 C ATOM 976 O ILE A 64 -4.571 -2.473 2.117 1.00 0.00 O ATOM 977 CB ILE A 64 -3.087 -0.278 1.282 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.482 0.759 0.335 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.645 -0.017 2.715 1.00 0.00 C ATOM 980 CD1 ILE A 64 -0.971 0.815 0.385 1.00 0.00 C ATOM 0 H ILE A 64 -3.715 -1.367 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.612 -1.826 0.996 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.173 -0.194 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.796 0.535 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.882 1.742 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.937 0.992 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.120 -0.739 3.379 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.562 -0.116 2.785 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.612 1.572 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.650 1.070 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.562 -0.157 0.108 1.00 0.00 H new ATOM 992 N CYS A 65 -2.793 -3.845 1.972 1.00 0.00 N ATOM 993 CA CYS A 65 -3.399 -4.895 2.782 1.00 0.00 C ATOM 994 C CYS A 65 -2.983 -4.764 4.243 1.00 0.00 C ATOM 995 O CYS A 65 -1.822 -4.489 4.546 1.00 0.00 O ATOM 996 CB CYS A 65 -3.003 -6.273 2.248 1.00 0.00 C ATOM 997 SG CYS A 65 -3.887 -7.647 3.022 1.00 0.00 S ATOM 0 H CYS A 65 -1.853 -4.059 1.639 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.482 -4.787 2.721 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.182 -6.299 1.173 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.932 -6.414 2.396 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.337 -7.928 4.166 1.00 0.00 H new ATOM 1003 N ALA A 66 -3.939 -4.960 5.145 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.671 -4.864 6.575 1.00 0.00 C ATOM 1005 C ALA A 66 -2.949 -6.107 7.083 1.00 0.00 C ATOM 1006 O ALA A 66 -2.027 -6.014 7.894 1.00 0.00 O ATOM 1007 CB ALA A 66 -4.969 -4.655 7.342 1.00 0.00 C ATOM 0 H ALA A 66 -4.906 -5.186 4.911 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.021 -4.005 6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.754 -4.585 8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.446 -3.734 7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.638 -5.496 7.161 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.374 -7.271 6.602 1.00 0.00 N ATOM 1014 CA PHE A 67 -2.768 -8.533 7.010 1.00 0.00 C ATOM 1015 C PHE A 67 -3.079 -9.636 6.002 1.00 0.00 C ATOM 1016 O PHE A 67 -4.076 -9.572 5.284 1.00 0.00 O ATOM 1017 CB PHE A 67 -3.267 -8.939 8.398 1.00 0.00 C ATOM 1018 CG PHE A 67 -4.664 -8.473 8.692 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -5.755 -9.103 8.114 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -4.888 -7.405 9.546 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.042 -8.676 8.382 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -6.172 -6.973 9.818 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.250 -7.610 9.236 1.00 0.00 C ATOM 0 H PHE A 67 -4.135 -7.366 5.930 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.688 -8.393 7.048 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.229 -10.025 8.486 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.591 -8.534 9.151 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.598 -9.937 7.446 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.048 -6.904 10.005 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.884 -9.175 7.925 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.332 -6.139 10.485 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.255 -7.275 9.448 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.218 -10.647 5.955 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.401 -11.765 5.038 1.00 0.00 C ATOM 1035 C ALA A 68 -3.604 -12.612 5.438 1.00 0.00 C ATOM 1036 O ALA A 68 -4.305 -12.297 6.399 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.144 -12.620 4.991 1.00 0.00 C ATOM 0 H ALA A 68 -1.386 -10.715 6.542 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.589 -11.360 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.295 -13.451 4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.304 -12.014 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.931 -13.008 5.987 1.00 0.00 H new ATOM 1043 N ASN A 69 -3.839 -13.688 4.693 1.00 0.00 N ATOM 1044 CA ASN A 69 -4.959 -14.579 4.970 1.00 0.00 C ATOM 1045 C ASN A 69 -6.289 -13.855 4.786 1.00 0.00 C ATOM 1046 O ASN A 69 -7.263 -14.133 5.487 1.00 0.00 O ATOM 1047 CB ASN A 69 -4.859 -15.132 6.393 1.00 0.00 C ATOM 1048 CG ASN A 69 -3.449 -15.564 6.748 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -3.030 -16.677 6.426 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -2.710 -14.685 7.414 1.00 0.00 N ATOM 0 H ASN A 69 -3.269 -13.963 3.893 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.915 -15.407 4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.192 -14.372 7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.534 -15.982 6.498 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.754 -14.920 7.680 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.098 -13.774 7.660 1.00 0.00 H new ATOM 1057 N THR A 70 -6.324 -12.924 3.837 1.00 0.00 N ATOM 1058 CA THR A 70 -7.533 -12.160 3.560 1.00 0.00 C ATOM 1059 C THR A 70 -8.058 -12.449 2.159 1.00 0.00 C ATOM 1060 O THR A 70 -7.324 -12.888 1.273 1.00 0.00 O ATOM 1061 CB THR A 70 -7.285 -10.646 3.700 1.00 0.00 C ATOM 1062 OG1 THR A 70 -5.929 -10.338 3.356 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.572 -10.179 5.120 1.00 0.00 C ATOM 0 H THR A 70 -5.528 -12.681 3.247 1.00 0.00 H new ATOM 0 HA THR A 70 -8.277 -12.469 4.294 1.00 0.00 H new ATOM 0 HB THR A 70 -7.959 -10.125 3.020 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.435 -10.090 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.390 -9.107 5.194 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.612 -10.388 5.369 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.920 -10.707 5.815 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.360 -12.199 1.950 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.012 -12.425 0.657 1.00 0.00 C ATOM 1073 C PRO A 71 -9.550 -11.434 -0.406 1.00 0.00 C ATOM 1074 O PRO A 71 -9.737 -11.658 -1.602 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.497 -12.221 0.968 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.515 -11.323 2.157 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.294 -11.675 2.961 1.00 0.00 C ATOM 0 HA PRO A 71 -9.779 -13.409 0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.020 -11.771 0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.991 -13.169 1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.495 -10.276 1.855 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.423 -11.469 2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.885 -10.804 3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.517 -12.419 3.726 1.00 0.00 H new ATOM 1085 N LYS A 72 -8.944 -10.337 0.037 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.453 -9.312 -0.876 1.00 0.00 C ATOM 1087 C LYS A 72 -6.964 -9.495 -1.149 1.00 0.00 C ATOM 1088 O LYS A 72 -6.423 -8.927 -2.098 1.00 0.00 O ATOM 1089 CB LYS A 72 -8.709 -7.919 -0.296 1.00 0.00 C ATOM 1090 CG LYS A 72 -8.441 -6.792 -1.279 1.00 0.00 C ATOM 1091 CD LYS A 72 -9.686 -6.442 -2.077 1.00 0.00 C ATOM 1092 CE LYS A 72 -9.530 -5.111 -2.797 1.00 0.00 C ATOM 1093 NZ LYS A 72 -8.413 -5.140 -3.782 1.00 0.00 N ATOM 0 H LYS A 72 -8.781 -10.135 1.024 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.992 -9.411 -1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.744 -7.859 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.081 -7.780 0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.094 -5.911 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.641 -7.084 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.887 -7.229 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.547 -6.397 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.460 -4.864 -3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.350 -4.322 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.229 -4.176 -4.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.557 -5.514 -3.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.672 -5.750 -4.583 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.307 -10.292 -0.313 1.00 0.00 N ATOM 1108 CA TYR A 73 -4.880 -10.549 -0.465 1.00 0.00 C ATOM 1109 C TYR A 73 -4.625 -11.572 -1.567 1.00 0.00 C ATOM 1110 O TYR A 73 -3.728 -11.401 -2.393 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.287 -11.045 0.855 1.00 0.00 C ATOM 1112 CG TYR A 73 -2.976 -11.781 0.691 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -1.825 -11.110 0.296 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -2.889 -13.146 0.932 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -0.626 -11.778 0.144 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -1.693 -13.823 0.784 1.00 0.00 C ATOM 1117 CZ TYR A 73 -0.565 -13.134 0.389 1.00 0.00 C ATOM 1118 OH TYR A 73 0.628 -13.804 0.241 1.00 0.00 O ATOM 0 H TYR A 73 -6.740 -10.771 0.477 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.396 -9.613 -0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.136 -10.193 1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.006 -11.704 1.342 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.869 -10.048 0.105 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.771 -13.688 1.240 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.259 -11.242 -0.165 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.642 -14.885 0.976 1.00 0.00 H new ATOM 0 HH TYR A 73 0.499 -14.752 0.453 1.00 0.00 H new ATOM 1128 N SER A 74 -5.421 -12.636 -1.573 1.00 0.00 N ATOM 1129 CA SER A 74 -5.281 -13.690 -2.571 1.00 0.00 C ATOM 1130 C SER A 74 -5.858 -13.248 -3.913 1.00 0.00 C ATOM 1131 O SER A 74 -5.351 -13.621 -4.971 1.00 0.00 O ATOM 1132 CB SER A 74 -5.980 -14.966 -2.098 1.00 0.00 C ATOM 1133 OG SER A 74 -5.216 -15.629 -1.106 1.00 0.00 O ATOM 0 H SER A 74 -6.170 -12.791 -0.898 1.00 0.00 H new ATOM 0 HA SER A 74 -4.218 -13.894 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.964 -14.719 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.138 -15.633 -2.945 1.00 0.00 H new ATOM 0 HG SER A 74 -5.685 -16.440 -0.819 1.00 0.00 H new ATOM 1139 N GLN A 75 -6.920 -12.452 -3.859 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.567 -11.959 -5.070 1.00 0.00 C ATOM 1141 C GLN A 75 -6.591 -11.149 -5.917 1.00 0.00 C ATOM 1142 O GLN A 75 -6.301 -11.505 -7.060 1.00 0.00 O ATOM 1143 CB GLN A 75 -8.782 -11.102 -4.712 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.497 -10.524 -5.922 1.00 0.00 C ATOM 1145 CD GLN A 75 -10.960 -10.234 -5.653 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -11.296 -9.304 -4.919 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -11.841 -11.032 -6.246 1.00 0.00 N ATOM 0 H GLN A 75 -7.351 -12.134 -2.991 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.897 -12.820 -5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.486 -11.706 -4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.462 -10.285 -4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.999 -9.604 -6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.416 -11.223 -6.755 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.518 -11.791 -6.846 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.840 -10.886 -6.101 1.00 0.00 H new ATOM 1156 N VAL A 76 -6.087 -10.058 -5.350 1.00 0.00 N ATOM 1157 CA VAL A 76 -5.143 -9.197 -6.053 1.00 0.00 C ATOM 1158 C VAL A 76 -3.844 -9.937 -6.354 1.00 0.00 C ATOM 1159 O VAL A 76 -3.036 -9.489 -7.169 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.822 -7.931 -5.237 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.935 -6.990 -6.038 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.105 -7.234 -4.811 1.00 0.00 C ATOM 0 H VAL A 76 -6.317 -9.749 -4.405 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.618 -8.905 -6.990 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.280 -8.226 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.719 -6.101 -5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.002 -7.495 -6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.448 -6.699 -6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.860 -6.341 -4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.676 -6.950 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.700 -7.910 -4.197 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.650 -11.072 -5.692 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.448 -11.876 -5.889 1.00 0.00 C ATOM 1174 C LEU A 77 -2.515 -12.642 -7.207 1.00 0.00 C ATOM 1175 O LEU A 77 -1.554 -12.660 -7.975 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.269 -12.854 -4.726 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.107 -13.840 -4.851 1.00 0.00 C ATOM 1178 CD1 LEU A 77 0.222 -13.102 -4.844 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.156 -14.867 -3.729 1.00 0.00 C ATOM 0 H LEU A 77 -4.309 -11.457 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.592 -11.203 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.134 -12.278 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.191 -13.423 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.202 -14.365 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.037 -13.820 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.257 -12.407 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.326 -12.549 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.322 -15.561 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.087 -14.359 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.095 -15.418 -3.781 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.657 -13.272 -7.462 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.829 -14.029 -8.689 1.00 0.00 C ATOM 1193 C GLY A 78 -3.827 -13.145 -9.920 1.00 0.00 C ATOM 1194 O GLY A 78 -3.298 -13.526 -10.966 1.00 0.00 O ATOM 0 H GLY A 78 -4.466 -13.272 -6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.030 -14.766 -8.773 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.768 -14.581 -8.643 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.420 -11.962 -9.799 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.486 -11.022 -10.912 1.00 0.00 C ATOM 1200 C LEU A 79 -3.087 -10.603 -11.354 1.00 0.00 C ATOM 1201 O LEU A 79 -2.800 -10.526 -12.548 1.00 0.00 O ATOM 1202 CB LEU A 79 -5.299 -9.788 -10.515 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.797 -10.011 -10.305 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.372 -8.941 -9.390 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.527 -10.022 -11.641 1.00 0.00 C ATOM 0 H LEU A 79 -4.862 -11.631 -8.941 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.977 -11.520 -11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.880 -9.382 -9.594 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.170 -9.029 -11.286 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.938 -10.981 -9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.439 -9.115 -9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.870 -8.980 -8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.220 -7.959 -9.838 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.592 -10.182 -11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.379 -9.067 -12.145 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.134 -10.825 -12.264 1.00 0.00 H new ATOM 1217 N GLY A 80 -2.220 -10.334 -10.383 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.862 -9.928 -10.692 1.00 0.00 C ATOM 1219 C GLY A 80 -0.588 -8.485 -10.317 1.00 0.00 C ATOM 1220 O GLY A 80 0.116 -7.773 -11.032 1.00 0.00 O ATOM 0 H GLY A 80 -2.434 -10.390 -9.387 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.163 -10.576 -10.163 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.679 -10.064 -11.758 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.149 -8.051 -9.192 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.951 -6.685 -8.744 1.00 0.00 C ATOM 1226 C GLY A 81 0.107 -6.576 -7.665 1.00 0.00 C ATOM 1227 O GLY A 81 0.483 -7.575 -7.052 1.00 0.00 O ATOM 0 H GLY A 81 -1.737 -8.621 -8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.664 -6.065 -9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.894 -6.290 -8.365 1.00 0.00 H new ATOM 1231 N ARG A 82 0.590 -5.360 -7.432 1.00 0.00 N ATOM 1232 CA ARG A 82 1.614 -5.125 -6.422 1.00 0.00 C ATOM 1233 C ARG A 82 1.013 -5.164 -5.020 1.00 0.00 C ATOM 1234 O ARG A 82 0.493 -4.162 -4.528 1.00 0.00 O ATOM 1235 CB ARG A 82 2.295 -3.775 -6.659 1.00 0.00 C ATOM 1236 CG ARG A 82 3.743 -3.734 -6.199 1.00 0.00 C ATOM 1237 CD ARG A 82 4.545 -2.703 -6.977 1.00 0.00 C ATOM 1238 NE ARG A 82 4.789 -3.124 -8.354 1.00 0.00 N ATOM 1239 CZ ARG A 82 5.797 -3.911 -8.714 1.00 0.00 C ATOM 1240 NH1 ARG A 82 6.650 -4.360 -7.803 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.953 -4.251 -9.987 1.00 0.00 N ATOM 0 H ARG A 82 0.288 -4.522 -7.929 1.00 0.00 H new ATOM 0 HA ARG A 82 2.357 -5.918 -6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.254 -3.538 -7.722 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.735 -2.999 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.782 -3.500 -5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.194 -4.718 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.010 -1.753 -6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.498 -2.532 -6.476 1.00 0.00 H new ATOM 0 HE ARG A 82 4.151 -2.796 -9.079 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.533 -4.101 -6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.423 -4.964 -8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.299 -3.908 -10.690 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.727 -4.855 -10.262 1.00 0.00 H new ATOM 1255 N ILE A 83 1.089 -6.327 -4.382 1.00 0.00 N ATOM 1256 CA ILE A 83 0.553 -6.497 -3.037 1.00 0.00 C ATOM 1257 C ILE A 83 1.573 -6.080 -1.983 1.00 0.00 C ATOM 1258 O ILE A 83 2.610 -6.723 -1.819 1.00 0.00 O ATOM 1259 CB ILE A 83 0.131 -7.955 -2.779 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -0.872 -8.414 -3.839 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.462 -8.096 -1.385 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.163 -9.898 -3.794 1.00 0.00 C ATOM 0 H ILE A 83 1.517 -7.166 -4.775 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.325 -5.856 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 83 1.015 -8.590 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.804 -7.865 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.488 -8.157 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.756 -9.132 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.281 -7.805 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.337 -7.452 -1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.882 -10.152 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.240 -10.455 -3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.577 -10.158 -2.820 1.00 0.00 H new ATOM 1274 N VAL A 84 1.270 -5.001 -1.268 1.00 0.00 N ATOM 1275 CA VAL A 84 2.159 -4.500 -0.226 1.00 0.00 C ATOM 1276 C VAL A 84 1.401 -4.264 1.075 1.00 0.00 C ATOM 1277 O VAL A 84 0.194 -4.022 1.068 1.00 0.00 O ATOM 1278 CB VAL A 84 2.842 -3.188 -0.655 1.00 0.00 C ATOM 1279 CG1 VAL A 84 3.777 -3.432 -1.830 1.00 0.00 C ATOM 1280 CG2 VAL A 84 1.802 -2.134 -1.001 1.00 0.00 C ATOM 0 H VAL A 84 0.416 -4.457 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 84 2.921 -5.262 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 84 3.436 -2.818 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.250 -2.494 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.543 -4.152 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.208 -3.826 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.303 -1.214 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.179 -2.493 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.178 -1.939 -0.129 1.00 0.00 H new ATOM 1290 N ARG A 85 2.118 -4.334 2.192 1.00 0.00 N ATOM 1291 CA ARG A 85 1.514 -4.128 3.503 1.00 0.00 C ATOM 1292 C ARG A 85 1.222 -2.650 3.741 1.00 0.00 C ATOM 1293 O ARG A 85 1.806 -1.778 3.096 1.00 0.00 O ATOM 1294 CB ARG A 85 2.435 -4.661 4.602 1.00 0.00 C ATOM 1295 CG ARG A 85 2.677 -6.159 4.522 1.00 0.00 C ATOM 1296 CD ARG A 85 3.489 -6.656 5.707 1.00 0.00 C ATOM 1297 NE ARG A 85 3.626 -8.111 5.705 1.00 0.00 N ATOM 1298 CZ ARG A 85 4.431 -8.774 6.527 1.00 0.00 C ATOM 1299 NH1 ARG A 85 5.166 -8.117 7.414 1.00 0.00 N ATOM 1300 NH2 ARG A 85 4.501 -10.098 6.465 1.00 0.00 N ATOM 0 H ARG A 85 3.118 -4.532 2.215 1.00 0.00 H new ATOM 0 HA ARG A 85 0.572 -4.675 3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.393 -4.143 4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.002 -4.423 5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.721 -6.682 4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.201 -6.395 3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.478 -6.199 5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.010 -6.338 6.633 1.00 0.00 H new ATOM 0 HE ARG A 85 3.073 -8.646 5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.114 -7.100 7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.783 -8.629 8.044 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.936 -10.607 5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.120 -10.606 7.097 1.00 0.00 H new ATOM 1314 N LYS A 86 0.313 -2.373 4.670 1.00 0.00 N ATOM 1315 CA LYS A 86 -0.057 -1.001 4.994 1.00 0.00 C ATOM 1316 C LYS A 86 1.153 -0.212 5.483 1.00 0.00 C ATOM 1317 O LYS A 86 1.315 0.962 5.151 1.00 0.00 O ATOM 1318 CB LYS A 86 -1.154 -0.986 6.062 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.705 -1.540 7.403 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.843 -1.555 8.409 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.527 -2.455 9.595 1.00 0.00 C ATOM 1322 NZ LYS A 86 -1.742 -3.893 9.273 1.00 0.00 N ATOM 0 H LYS A 86 -0.181 -3.082 5.212 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.434 -0.529 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.502 0.038 6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.005 -1.566 5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.322 -2.552 7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.116 -0.937 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.032 -0.541 8.761 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.756 -1.899 7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.492 -2.302 9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.154 -2.175 10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.201 -4.482 9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.754 -4.119 9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.421 -4.083 8.302 1.00 0.00 H new ATOM 1336 N GLU A 87 2.001 -0.865 6.271 1.00 0.00 N ATOM 1337 CA GLU A 87 3.197 -0.223 6.804 1.00 0.00 C ATOM 1338 C GLU A 87 3.827 0.701 5.765 1.00 0.00 C ATOM 1339 O GLU A 87 4.271 1.803 6.088 1.00 0.00 O ATOM 1340 CB GLU A 87 4.214 -1.277 7.248 1.00 0.00 C ATOM 1341 CG GLU A 87 5.217 -0.763 8.267 1.00 0.00 C ATOM 1342 CD GLU A 87 6.260 -1.801 8.634 1.00 0.00 C ATOM 1343 OE1 GLU A 87 5.889 -2.981 8.804 1.00 0.00 O ATOM 1344 OE2 GLU A 87 7.447 -1.432 8.750 1.00 0.00 O ATOM 0 H GLU A 87 1.882 -1.838 6.554 1.00 0.00 H new ATOM 0 HA GLU A 87 2.904 0.375 7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.681 -2.128 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.752 -1.642 6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.714 0.121 7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.687 -0.451 9.167 1.00 0.00 H new ATOM 1351 N TRP A 88 3.862 0.243 4.519 1.00 0.00 N ATOM 1352 CA TRP A 88 4.438 1.028 3.433 1.00 0.00 C ATOM 1353 C TRP A 88 3.987 2.482 3.513 1.00 0.00 C ATOM 1354 O TRP A 88 4.795 3.401 3.383 1.00 0.00 O ATOM 1355 CB TRP A 88 4.043 0.432 2.081 1.00 0.00 C ATOM 1356 CG TRP A 88 4.673 1.133 0.916 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.006 1.343 0.709 1.00 0.00 C ATOM 1358 CD2 TRP A 88 3.994 1.718 -0.202 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.198 2.023 -0.470 1.00 0.00 N ATOM 1360 CE2 TRP A 88 4.979 2.264 -1.047 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.651 1.831 -0.571 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.661 2.914 -2.237 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.338 2.477 -1.752 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.339 3.011 -2.574 1.00 0.00 C ATOM 0 H TRP A 88 3.499 -0.667 4.236 1.00 0.00 H new ATOM 0 HA TRP A 88 5.523 0.998 3.532 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.326 -0.620 2.059 1.00 0.00 H new ATOM 0 HB3 TRP A 88 2.959 0.472 1.977 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.794 1.022 1.374 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.101 2.303 -0.853 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.872 1.421 0.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.431 3.327 -2.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.303 2.572 -2.047 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.061 3.509 -3.491 1.00 0.00 H new ATOM 1375 N VAL A 89 2.691 2.684 3.728 1.00 0.00 N ATOM 1376 CA VAL A 89 2.132 4.027 3.827 1.00 0.00 C ATOM 1377 C VAL A 89 2.540 4.697 5.134 1.00 0.00 C ATOM 1378 O VAL A 89 3.047 5.819 5.138 1.00 0.00 O ATOM 1379 CB VAL A 89 0.595 4.005 3.731 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.031 5.410 3.870 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.152 3.370 2.422 1.00 0.00 C ATOM 0 H VAL A 89 2.008 1.934 3.837 1.00 0.00 H new ATOM 0 HA VAL A 89 2.532 4.598 2.989 1.00 0.00 H new ATOM 0 HB VAL A 89 0.206 3.401 4.551 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.056 5.374 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.319 5.824 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.426 6.041 3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.937 3.363 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.551 3.944 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.524 2.347 2.370 1.00 0.00 H new ATOM 1391 N LEU A 90 2.315 4.002 6.243 1.00 0.00 N ATOM 1392 CA LEU A 90 2.660 4.528 7.560 1.00 0.00 C ATOM 1393 C LEU A 90 4.071 5.106 7.562 1.00 0.00 C ATOM 1394 O LEU A 90 4.256 6.318 7.681 1.00 0.00 O ATOM 1395 CB LEU A 90 2.544 3.429 8.617 1.00 0.00 C ATOM 1396 CG LEU A 90 1.168 2.778 8.761 1.00 0.00 C ATOM 1397 CD1 LEU A 90 1.264 1.506 9.590 1.00 0.00 C ATOM 1398 CD2 LEU A 90 0.181 3.752 9.387 1.00 0.00 C ATOM 0 H LEU A 90 1.895 3.073 6.257 1.00 0.00 H new ATOM 0 HA LEU A 90 1.959 5.328 7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.270 2.650 8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.828 3.849 9.582 1.00 0.00 H new ATOM 0 HG LEU A 90 0.806 2.513 7.768 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.275 1.056 9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.938 0.803 9.101 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.647 1.746 10.582 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.793 3.272 9.482 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.538 4.048 10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.090 4.635 8.754 1.00 0.00 H new ATOM 1410 N ASP A 91 5.063 4.233 7.428 1.00 0.00 N ATOM 1411 CA ASP A 91 6.458 4.656 7.412 1.00 0.00 C ATOM 1412 C ASP A 91 6.673 5.781 6.404 1.00 0.00 C ATOM 1413 O ASP A 91 7.156 6.858 6.755 1.00 0.00 O ATOM 1414 CB ASP A 91 7.368 3.474 7.077 1.00 0.00 C ATOM 1415 CG ASP A 91 7.812 2.716 8.313 1.00 0.00 C ATOM 1416 OD1 ASP A 91 6.934 2.241 9.064 1.00 0.00 O ATOM 1417 OD2 ASP A 91 9.036 2.599 8.531 1.00 0.00 O ATOM 0 H ASP A 91 4.927 3.227 7.329 1.00 0.00 H new ATOM 0 HA ASP A 91 6.710 5.028 8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.843 2.794 6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.246 3.835 6.541 1.00 0.00 H new ATOM 1422 N CYS A 92 6.312 5.523 5.152 1.00 0.00 N ATOM 1423 CA CYS A 92 6.467 6.513 4.092 1.00 0.00 C ATOM 1424 C CYS A 92 5.961 7.879 4.546 1.00 0.00 C ATOM 1425 O CYS A 92 6.603 8.886 4.254 1.00 0.00 O ATOM 1426 CB CYS A 92 5.716 6.068 2.837 1.00 0.00 C ATOM 1427 SG CYS A 92 6.609 4.861 1.830 1.00 0.00 S ATOM 0 H CYS A 92 5.910 4.637 4.846 1.00 0.00 H new ATOM 0 HA CYS A 92 7.529 6.598 3.860 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.758 5.640 3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.499 6.945 2.227 1.00 0.00 H new ATOM 0 HG CYS A 92 6.145 3.670 2.068 1.00 0.00 H new ATOM 1433 N HIS A 93 4.832 7.883 5.239 1.00 0.00 N ATOM 1434 CA HIS A 93 4.255 9.126 5.722 1.00 0.00 C ATOM 1435 C HIS A 93 5.104 9.675 6.870 1.00 0.00 C ATOM 1436 O HIS A 93 5.692 10.753 6.790 1.00 0.00 O ATOM 1437 CB HIS A 93 2.788 8.930 6.110 1.00 0.00 C ATOM 1438 CG HIS A 93 2.088 10.200 6.528 1.00 0.00 C ATOM 1439 ND1 HIS A 93 2.019 10.620 7.845 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.428 11.139 5.790 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.345 11.759 7.887 1.00 0.00 C ATOM 1442 NE2 HIS A 93 0.979 12.079 6.612 1.00 0.00 N ATOM 0 H HIS A 93 4.301 7.045 5.478 1.00 0.00 H new ATOM 0 HA HIS A 93 4.263 9.868 4.924 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.255 8.495 5.265 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.732 8.211 6.927 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.294 11.120 4.719 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.124 12.334 8.774 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.448 12.905 6.336 1.00 0.00 H new ATOM 1450 N ARG A 94 5.154 8.902 7.950 1.00 0.00 N ATOM 1451 CA ARG A 94 5.920 9.286 9.130 1.00 0.00 C ATOM 1452 C ARG A 94 7.230 9.959 8.731 1.00 0.00 C ATOM 1453 O ARG A 94 7.501 11.093 9.124 1.00 0.00 O ATOM 1454 CB ARG A 94 6.208 8.060 9.998 1.00 0.00 C ATOM 1455 CG ARG A 94 7.073 8.362 11.211 1.00 0.00 C ATOM 1456 CD ARG A 94 6.274 9.051 12.307 1.00 0.00 C ATOM 1457 NE ARG A 94 6.904 8.908 13.616 1.00 0.00 N ATOM 1458 CZ ARG A 94 6.708 9.752 14.623 1.00 0.00 C ATOM 1459 NH1 ARG A 94 5.903 10.795 14.470 1.00 0.00 N ATOM 1460 NH2 ARG A 94 7.317 9.555 15.785 1.00 0.00 N ATOM 0 H ARG A 94 4.673 8.006 8.032 1.00 0.00 H new ATOM 0 HA ARG A 94 5.325 9.997 9.704 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.263 7.633 10.334 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.702 7.303 9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.497 7.435 11.597 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.909 8.996 10.915 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.170 10.110 12.069 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.269 8.631 12.341 1.00 0.00 H new ATOM 0 HE ARG A 94 7.529 8.116 13.766 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.433 10.950 13.578 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.754 11.442 15.244 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.937 8.754 15.907 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.165 10.204 16.557 1.00 0.00 H new ATOM 1474 N MET A 95 8.039 9.252 7.950 1.00 0.00 N ATOM 1475 CA MET A 95 9.321 9.782 7.498 1.00 0.00 C ATOM 1476 C MET A 95 9.128 10.762 6.346 1.00 0.00 C ATOM 1477 O MET A 95 9.964 11.636 6.115 1.00 0.00 O ATOM 1478 CB MET A 95 10.244 8.641 7.064 1.00 0.00 C ATOM 1479 CG MET A 95 10.686 7.747 8.211 1.00 0.00 C ATOM 1480 SD MET A 95 12.316 7.025 7.940 1.00 0.00 S ATOM 1481 CE MET A 95 11.870 5.388 7.367 1.00 0.00 C ATOM 0 H MET A 95 7.830 8.311 7.617 1.00 0.00 H new ATOM 0 HA MET A 95 9.780 10.314 8.331 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.731 8.034 6.318 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.126 9.062 6.581 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.698 8.326 9.134 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.957 6.948 8.346 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.488 5.121 6.510 1.00 0.00 H new ATOM 0 HE2 MET A 95 12.029 4.666 8.168 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.820 5.379 7.074 1.00 0.00 H new ATOM 1491 N ARG A 96 8.021 10.611 5.625 1.00 0.00 N ATOM 1492 CA ARG A 96 7.720 11.482 4.496 1.00 0.00 C ATOM 1493 C ARG A 96 8.763 11.323 3.393 1.00 0.00 C ATOM 1494 O ARG A 96 9.212 12.306 2.804 1.00 0.00 O ATOM 1495 CB ARG A 96 7.663 12.942 4.951 1.00 0.00 C ATOM 1496 CG ARG A 96 6.658 13.193 6.064 1.00 0.00 C ATOM 1497 CD ARG A 96 6.427 14.681 6.280 1.00 0.00 C ATOM 1498 NE ARG A 96 5.224 14.939 7.067 1.00 0.00 N ATOM 1499 CZ ARG A 96 5.185 14.877 8.393 1.00 0.00 C ATOM 1500 NH1 ARG A 96 6.278 14.567 9.077 1.00 0.00 N ATOM 1501 NH2 ARG A 96 4.053 15.125 9.038 1.00 0.00 N ATOM 0 H ARG A 96 7.318 9.893 5.803 1.00 0.00 H new ATOM 0 HA ARG A 96 6.747 11.194 4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.653 13.247 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.411 13.571 4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.713 12.709 5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.017 12.741 6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.291 15.112 6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.342 15.179 5.314 1.00 0.00 H new ATOM 0 HE ARG A 96 4.366 15.180 6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.151 14.376 8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.246 14.520 10.095 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.210 15.364 8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.025 15.077 10.056 1.00 0.00 H new ATOM 1515 N ARG A 97 9.143 10.080 3.120 1.00 0.00 N ATOM 1516 CA ARG A 97 10.134 9.792 2.090 1.00 0.00 C ATOM 1517 C ARG A 97 9.796 8.497 1.357 1.00 0.00 C ATOM 1518 O ARG A 97 9.142 7.612 1.909 1.00 0.00 O ATOM 1519 CB ARG A 97 11.529 9.691 2.709 1.00 0.00 C ATOM 1520 CG ARG A 97 11.655 8.593 3.753 1.00 0.00 C ATOM 1521 CD ARG A 97 13.079 8.478 4.271 1.00 0.00 C ATOM 1522 NE ARG A 97 13.551 9.729 4.858 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.803 9.927 5.257 1.00 0.00 C ATOM 1524 NH1 ARG A 97 15.702 8.962 5.134 1.00 0.00 N ATOM 1525 NH2 ARG A 97 15.156 11.094 5.781 1.00 0.00 N ATOM 0 H ARG A 97 8.780 9.255 3.598 1.00 0.00 H new ATOM 0 HA ARG A 97 10.122 10.610 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.256 9.513 1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.784 10.647 3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.980 8.800 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.346 7.641 3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.130 7.685 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.740 8.189 3.454 1.00 0.00 H new ATOM 0 HE ARG A 97 12.883 10.492 4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.434 8.064 4.732 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.662 9.117 5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.466 11.839 5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.117 11.246 6.087 1.00 0.00 H new ATOM 1539 N ARG A 98 10.245 8.395 0.110 1.00 0.00 N ATOM 1540 CA ARG A 98 9.988 7.210 -0.699 1.00 0.00 C ATOM 1541 C ARG A 98 10.767 6.010 -0.168 1.00 0.00 C ATOM 1542 O ARG A 98 11.995 6.043 -0.080 1.00 0.00 O ATOM 1543 CB ARG A 98 10.366 7.471 -2.158 1.00 0.00 C ATOM 1544 CG ARG A 98 9.514 6.702 -3.155 1.00 0.00 C ATOM 1545 CD ARG A 98 9.389 7.448 -4.474 1.00 0.00 C ATOM 1546 NE ARG A 98 10.429 7.062 -5.423 1.00 0.00 N ATOM 1547 CZ ARG A 98 11.638 7.612 -5.453 1.00 0.00 C ATOM 1548 NH1 ARG A 98 11.956 8.568 -4.591 1.00 0.00 N ATOM 1549 NH2 ARG A 98 12.530 7.207 -6.347 1.00 0.00 N ATOM 0 H ARG A 98 10.788 9.118 -0.361 1.00 0.00 H new ATOM 0 HA ARG A 98 8.923 6.985 -0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.276 8.538 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.413 7.205 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.955 5.721 -3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.522 6.535 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.410 7.251 -4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.446 8.521 -4.290 1.00 0.00 H new ATOM 0 HE ARG A 98 10.216 6.330 -6.100 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.272 8.883 -3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.885 8.989 -4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.288 6.473 -7.012 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.458 7.630 -6.369 1.00 0.00 H new ATOM 1563 N LEU A 99 10.046 4.952 0.184 1.00 0.00 N ATOM 1564 CA LEU A 99 10.669 3.740 0.707 1.00 0.00 C ATOM 1565 C LEU A 99 10.528 2.586 -0.281 1.00 0.00 C ATOM 1566 O LEU A 99 9.596 2.533 -1.083 1.00 0.00 O ATOM 1567 CB LEU A 99 10.040 3.358 2.048 1.00 0.00 C ATOM 1568 CG LEU A 99 10.192 4.381 3.175 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.479 3.901 4.430 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.663 4.643 3.463 1.00 0.00 C ATOM 0 H LEU A 99 9.029 4.908 0.117 1.00 0.00 H new ATOM 0 HA LEU A 99 11.730 3.940 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.977 3.177 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.479 2.416 2.377 1.00 0.00 H new ATOM 0 HG LEU A 99 9.733 5.316 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.598 4.641 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.419 3.765 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.909 2.953 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.752 5.373 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.146 3.713 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.146 5.031 2.566 1.00 0.00 H new ATOM 1582 N PRO A 100 11.474 1.637 -0.221 1.00 0.00 N ATOM 1583 CA PRO A 100 11.476 0.465 -1.100 1.00 0.00 C ATOM 1584 C PRO A 100 10.345 -0.505 -0.776 1.00 0.00 C ATOM 1585 O PRO A 100 10.437 -1.286 0.171 1.00 0.00 O ATOM 1586 CB PRO A 100 12.834 -0.185 -0.822 1.00 0.00 C ATOM 1587 CG PRO A 100 13.189 0.255 0.556 1.00 0.00 C ATOM 1588 CD PRO A 100 12.615 1.636 0.711 1.00 0.00 C ATOM 0 HA PRO A 100 11.325 0.739 -2.144 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.774 -1.271 -0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.583 0.137 -1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.776 -0.425 1.301 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.270 0.264 0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.297 1.826 1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.344 2.405 0.455 1.00 0.00 H new ATOM 1596 N SER A 101 9.280 -0.450 -1.569 1.00 0.00 N ATOM 1597 CA SER A 101 8.129 -1.322 -1.364 1.00 0.00 C ATOM 1598 C SER A 101 8.542 -2.790 -1.422 1.00 0.00 C ATOM 1599 O SER A 101 7.911 -3.648 -0.805 1.00 0.00 O ATOM 1600 CB SER A 101 7.055 -1.041 -2.417 1.00 0.00 C ATOM 1601 OG SER A 101 5.760 -1.302 -1.906 1.00 0.00 O ATOM 0 H SER A 101 9.190 0.189 -2.359 1.00 0.00 H new ATOM 0 HA SER A 101 7.720 -1.116 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.120 -0.002 -2.739 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.234 -1.659 -3.297 1.00 0.00 H new ATOM 0 HG SER A 101 5.111 -0.710 -2.341 1.00 0.00 H new ATOM 1607 N GLN A 102 9.606 -3.069 -2.168 1.00 0.00 N ATOM 1608 CA GLN A 102 10.103 -4.433 -2.308 1.00 0.00 C ATOM 1609 C GLN A 102 10.035 -5.176 -0.978 1.00 0.00 C ATOM 1610 O GLN A 102 9.399 -6.225 -0.874 1.00 0.00 O ATOM 1611 CB GLN A 102 11.542 -4.423 -2.828 1.00 0.00 C ATOM 1612 CG GLN A 102 12.057 -5.798 -3.220 1.00 0.00 C ATOM 1613 CD GLN A 102 13.177 -5.733 -4.239 1.00 0.00 C ATOM 1614 OE1 GLN A 102 12.939 -5.792 -5.446 1.00 0.00 O ATOM 1615 NE2 GLN A 102 14.409 -5.610 -3.758 1.00 0.00 N ATOM 0 H GLN A 102 10.140 -2.370 -2.684 1.00 0.00 H new ATOM 0 HA GLN A 102 9.469 -4.953 -3.026 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.603 -3.762 -3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.194 -4.005 -2.061 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.411 -6.317 -2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.235 -6.387 -3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 102 14.561 -5.565 -2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.203 -5.561 -4.396 1.00 0.00 H new ATOM 1624 N ARG A 103 10.696 -4.626 0.036 1.00 0.00 N ATOM 1625 CA ARG A 103 10.712 -5.238 1.359 1.00 0.00 C ATOM 1626 C ARG A 103 9.293 -5.421 1.890 1.00 0.00 C ATOM 1627 O ARG A 103 9.028 -6.325 2.683 1.00 0.00 O ATOM 1628 CB ARG A 103 11.525 -4.382 2.331 1.00 0.00 C ATOM 1629 CG ARG A 103 13.008 -4.717 2.344 1.00 0.00 C ATOM 1630 CD ARG A 103 13.809 -3.669 3.101 1.00 0.00 C ATOM 1631 NE ARG A 103 13.927 -3.991 4.520 1.00 0.00 N ATOM 1632 CZ ARG A 103 14.805 -3.414 5.334 1.00 0.00 C ATOM 1633 NH1 ARG A 103 15.637 -2.492 4.871 1.00 0.00 N ATOM 1634 NH2 ARG A 103 14.851 -3.760 6.614 1.00 0.00 N ATOM 0 H ARG A 103 11.227 -3.758 -0.034 1.00 0.00 H new ATOM 0 HA ARG A 103 11.179 -6.219 1.272 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.401 -3.331 2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.124 -4.509 3.337 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.158 -5.694 2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.375 -4.788 1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.804 -3.588 2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.331 -2.696 2.989 1.00 0.00 H new ATOM 0 HE ARG A 103 13.302 -4.697 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.605 -2.223 3.888 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.310 -2.051 5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.212 -4.469 6.974 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.525 -3.317 7.238 1.00 0.00 H new ATOM 1648 N TYR A 104 8.386 -4.557 1.449 1.00 0.00 N ATOM 1649 CA TYR A 104 6.995 -4.622 1.882 1.00 0.00 C ATOM 1650 C TYR A 104 6.231 -5.688 1.103 1.00 0.00 C ATOM 1651 O TYR A 104 5.310 -6.316 1.628 1.00 0.00 O ATOM 1652 CB TYR A 104 6.320 -3.261 1.703 1.00 0.00 C ATOM 1653 CG TYR A 104 6.920 -2.169 2.560 1.00 0.00 C ATOM 1654 CD1 TYR A 104 8.101 -1.537 2.188 1.00 0.00 C ATOM 1655 CD2 TYR A 104 6.308 -1.771 3.741 1.00 0.00 C ATOM 1656 CE1 TYR A 104 8.653 -0.540 2.968 1.00 0.00 C ATOM 1657 CE2 TYR A 104 6.852 -0.773 4.527 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.025 -0.161 4.136 1.00 0.00 C ATOM 1659 OH TYR A 104 8.572 0.832 4.917 1.00 0.00 O ATOM 0 H TYR A 104 8.589 -3.803 0.792 1.00 0.00 H new ATOM 0 HA TYR A 104 6.982 -4.891 2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.387 -2.967 0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.260 -3.356 1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 104 8.595 -1.831 1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 104 5.391 -2.250 4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.572 -0.060 2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.362 -0.474 5.442 1.00 0.00 H new ATOM 0 HH TYR A 104 8.006 0.979 5.703 1.00 0.00 H new ATOM 1669 N LEU A 105 6.619 -5.887 -0.151 1.00 0.00 N ATOM 1670 CA LEU A 105 5.972 -6.878 -1.004 1.00 0.00 C ATOM 1671 C LEU A 105 5.769 -8.191 -0.256 1.00 0.00 C ATOM 1672 O LEU A 105 6.723 -8.922 0.007 1.00 0.00 O ATOM 1673 CB LEU A 105 6.808 -7.120 -2.263 1.00 0.00 C ATOM 1674 CG LEU A 105 6.849 -5.971 -3.272 1.00 0.00 C ATOM 1675 CD1 LEU A 105 7.722 -6.337 -4.462 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.442 -5.614 -3.730 1.00 0.00 C ATOM 0 H LEU A 105 7.379 -5.375 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 105 4.995 -6.490 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.830 -7.346 -1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.422 -8.006 -2.767 1.00 0.00 H new ATOM 0 HG LEU A 105 7.283 -5.099 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.739 -5.508 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.736 -6.543 -4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.317 -7.223 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.490 -4.795 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.981 -6.482 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.846 -5.309 -2.870 1.00 0.00 H new ATOM 1688 N MET A 106 4.517 -8.486 0.083 1.00 0.00 N ATOM 1689 CA MET A 106 4.188 -9.713 0.798 1.00 0.00 C ATOM 1690 C MET A 106 4.413 -10.935 -0.087 1.00 0.00 C ATOM 1691 O MET A 106 5.246 -11.788 0.216 1.00 0.00 O ATOM 1692 CB MET A 106 2.736 -9.676 1.277 1.00 0.00 C ATOM 1693 CG MET A 106 2.532 -8.847 2.535 1.00 0.00 C ATOM 1694 SD MET A 106 1.169 -9.449 3.550 1.00 0.00 S ATOM 1695 CE MET A 106 0.012 -8.089 3.404 1.00 0.00 C ATOM 0 H MET A 106 3.715 -7.892 -0.126 1.00 0.00 H new ATOM 0 HA MET A 106 4.846 -9.787 1.664 1.00 0.00 H new ATOM 0 HB2 MET A 106 2.110 -9.274 0.481 1.00 0.00 H new ATOM 0 HB3 MET A 106 2.398 -10.695 1.464 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.449 -8.855 3.124 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.342 -7.811 2.256 1.00 0.00 H new ATOM 0 HE1 MET A 106 -0.178 -7.666 4.390 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.433 -7.321 2.755 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.924 -8.451 2.978 1.00 0.00 H new ATOM 1705 N ALA A 107 3.663 -11.013 -1.182 1.00 0.00 N ATOM 1706 CA ALA A 107 3.782 -12.130 -2.111 1.00 0.00 C ATOM 1707 C ALA A 107 4.307 -11.664 -3.465 1.00 0.00 C ATOM 1708 O ALA A 107 4.443 -12.457 -4.395 1.00 0.00 O ATOM 1709 CB ALA A 107 2.439 -12.825 -2.274 1.00 0.00 C ATOM 0 H ALA A 107 2.967 -10.316 -1.447 1.00 0.00 H new ATOM 0 HA ALA A 107 4.498 -12.840 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.542 -13.657 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.104 -13.200 -1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.707 -12.116 -2.662 1.00 0.00 H new ATOM 1715 N GLY A 108 4.599 -10.371 -3.568 1.00 0.00 N ATOM 1716 CA GLY A 108 5.105 -9.821 -4.812 1.00 0.00 C ATOM 1717 C GLY A 108 6.385 -10.495 -5.265 1.00 0.00 C ATOM 1718 O GLY A 108 7.231 -10.876 -4.456 1.00 0.00 O ATOM 0 H GLY A 108 4.494 -9.694 -2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.347 -9.928 -5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.285 -8.753 -4.687 1.00 0.00 H new ATOM 1722 N PRO A 109 6.539 -10.652 -6.589 1.00 0.00 N ATOM 1723 CA PRO A 109 7.723 -11.286 -7.178 1.00 0.00 C ATOM 1724 C PRO A 109 8.973 -10.425 -7.035 1.00 0.00 C ATOM 1725 O PRO A 109 10.061 -10.818 -7.455 1.00 0.00 O ATOM 1726 CB PRO A 109 7.345 -11.439 -8.653 1.00 0.00 C ATOM 1727 CG PRO A 109 6.334 -10.373 -8.899 1.00 0.00 C ATOM 1728 CD PRO A 109 5.571 -10.222 -7.611 1.00 0.00 C ATOM 0 HA PRO A 109 7.969 -12.227 -6.687 1.00 0.00 H new ATOM 0 HB2 PRO A 109 8.214 -11.316 -9.299 1.00 0.00 H new ATOM 0 HB3 PRO A 109 6.934 -12.428 -8.856 1.00 0.00 H new ATOM 0 HG2 PRO A 109 6.815 -9.436 -9.180 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.668 -10.648 -9.717 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.250 -9.193 -7.452 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.674 -10.841 -7.600 1.00 0.00 H new ATOM 1736 N GLY A 110 8.811 -9.248 -6.438 1.00 0.00 N ATOM 1737 CA GLY A 110 9.936 -8.350 -6.250 1.00 0.00 C ATOM 1738 C GLY A 110 9.957 -7.226 -7.267 1.00 0.00 C ATOM 1739 O GLY A 110 8.956 -6.966 -7.935 1.00 0.00 O ATOM 0 H GLY A 110 7.921 -8.900 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 110 9.895 -7.927 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.865 -8.916 -6.320 1.00 0.00 H new ATOM 1743 N SER A 111 11.100 -6.558 -7.385 1.00 0.00 N ATOM 1744 CA SER A 111 11.246 -5.452 -8.324 1.00 0.00 C ATOM 1745 C SER A 111 11.893 -5.924 -9.623 1.00 0.00 C ATOM 1746 O SER A 111 11.358 -5.707 -10.710 1.00 0.00 O ATOM 1747 CB SER A 111 12.082 -4.333 -7.701 1.00 0.00 C ATOM 1748 OG SER A 111 12.186 -3.225 -8.578 1.00 0.00 O ATOM 0 H SER A 111 11.939 -6.763 -6.842 1.00 0.00 H new ATOM 0 HA SER A 111 10.252 -5.068 -8.553 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.629 -4.016 -6.762 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.078 -4.708 -7.464 1.00 0.00 H new ATOM 0 HG SER A 111 12.724 -2.523 -8.156 1.00 0.00 H new ATOM 1754 N SER A 112 13.048 -6.570 -9.500 1.00 0.00 N ATOM 1755 CA SER A 112 13.771 -7.069 -10.663 1.00 0.00 C ATOM 1756 C SER A 112 14.069 -5.940 -11.645 1.00 0.00 C ATOM 1757 O SER A 112 13.915 -6.098 -12.856 1.00 0.00 O ATOM 1758 CB SER A 112 12.964 -8.166 -11.360 1.00 0.00 C ATOM 1759 OG SER A 112 13.094 -9.404 -10.683 1.00 0.00 O ATOM 0 H SER A 112 13.503 -6.760 -8.607 1.00 0.00 H new ATOM 0 HA SER A 112 14.717 -7.486 -10.319 1.00 0.00 H new ATOM 0 HB2 SER A 112 11.913 -7.879 -11.400 1.00 0.00 H new ATOM 0 HB3 SER A 112 13.305 -8.274 -12.390 1.00 0.00 H new ATOM 0 HG SER A 112 12.567 -10.088 -11.147 1.00 0.00 H new ATOM 1765 N SER A 113 14.496 -4.799 -11.112 1.00 0.00 N ATOM 1766 CA SER A 113 14.812 -3.641 -11.940 1.00 0.00 C ATOM 1767 C SER A 113 13.725 -3.407 -12.985 1.00 0.00 C ATOM 1768 O SER A 113 14.018 -3.182 -14.159 1.00 0.00 O ATOM 1769 CB SER A 113 16.165 -3.832 -12.627 1.00 0.00 C ATOM 1770 OG SER A 113 17.232 -3.645 -11.714 1.00 0.00 O ATOM 0 H SER A 113 14.631 -4.652 -10.112 1.00 0.00 H new ATOM 0 HA SER A 113 14.863 -2.766 -11.293 1.00 0.00 H new ATOM 0 HB2 SER A 113 16.220 -4.833 -13.056 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.260 -3.126 -13.452 1.00 0.00 H new ATOM 0 HG SER A 113 18.086 -3.774 -12.178 1.00 0.00 H new ATOM 1776 N GLU A 114 12.471 -3.463 -12.548 1.00 0.00 N ATOM 1777 CA GLU A 114 11.341 -3.258 -13.447 1.00 0.00 C ATOM 1778 C GLU A 114 10.869 -1.807 -13.407 1.00 0.00 C ATOM 1779 O GLU A 114 9.670 -1.534 -13.408 1.00 0.00 O ATOM 1780 CB GLU A 114 10.187 -4.191 -13.071 1.00 0.00 C ATOM 1781 CG GLU A 114 10.280 -5.564 -13.716 1.00 0.00 C ATOM 1782 CD GLU A 114 9.085 -6.441 -13.395 1.00 0.00 C ATOM 1783 OE1 GLU A 114 7.967 -6.104 -13.838 1.00 0.00 O ATOM 1784 OE2 GLU A 114 9.268 -7.462 -12.701 1.00 0.00 O ATOM 0 H GLU A 114 12.212 -3.648 -11.579 1.00 0.00 H new ATOM 0 HA GLU A 114 11.670 -3.487 -14.461 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.164 -4.309 -11.988 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.245 -3.725 -13.361 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.362 -5.449 -14.797 1.00 0.00 H new ATOM 0 HG3 GLU A 114 11.191 -6.059 -13.378 1.00 0.00 H new ATOM 1791 N GLU A 115 11.824 -0.882 -13.371 1.00 0.00 N ATOM 1792 CA GLU A 115 11.506 0.540 -13.330 1.00 0.00 C ATOM 1793 C GLU A 115 10.650 0.942 -14.527 1.00 0.00 C ATOM 1794 O GLU A 115 10.373 0.127 -15.407 1.00 0.00 O ATOM 1795 CB GLU A 115 12.790 1.372 -13.305 1.00 0.00 C ATOM 1796 CG GLU A 115 13.736 1.065 -14.453 1.00 0.00 C ATOM 1797 CD GLU A 115 13.479 1.933 -15.669 1.00 0.00 C ATOM 1798 OE1 GLU A 115 13.041 3.089 -15.492 1.00 0.00 O ATOM 1799 OE2 GLU A 115 13.716 1.456 -16.799 1.00 0.00 O ATOM 0 H GLU A 115 12.822 -1.092 -13.369 1.00 0.00 H new ATOM 0 HA GLU A 115 10.939 0.732 -12.419 1.00 0.00 H new ATOM 0 HB2 GLU A 115 12.528 2.430 -13.334 1.00 0.00 H new ATOM 0 HB3 GLU A 115 13.308 1.197 -12.362 1.00 0.00 H new ATOM 0 HG2 GLU A 115 14.764 1.208 -14.120 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.634 0.016 -14.732 1.00 0.00 H new ATOM 1806 N ASP A 116 10.235 2.204 -14.553 1.00 0.00 N ATOM 1807 CA ASP A 116 9.411 2.715 -15.643 1.00 0.00 C ATOM 1808 C ASP A 116 9.923 4.070 -16.121 1.00 0.00 C ATOM 1809 O ASP A 116 10.339 4.905 -15.319 1.00 0.00 O ATOM 1810 CB ASP A 116 7.953 2.835 -15.195 1.00 0.00 C ATOM 1811 CG ASP A 116 7.106 3.613 -16.183 1.00 0.00 C ATOM 1812 OD1 ASP A 116 6.997 3.173 -17.347 1.00 0.00 O ATOM 1813 OD2 ASP A 116 6.552 4.662 -15.792 1.00 0.00 O ATOM 0 H ASP A 116 10.455 2.892 -13.832 1.00 0.00 H new ATOM 0 HA ASP A 116 9.471 2.011 -16.473 1.00 0.00 H new ATOM 0 HB2 ASP A 116 7.532 1.838 -15.066 1.00 0.00 H new ATOM 0 HB3 ASP A 116 7.914 3.325 -14.222 1.00 0.00 H new ATOM 1818 N GLU A 117 9.889 4.280 -17.433 1.00 0.00 N ATOM 1819 CA GLU A 117 10.351 5.533 -18.018 1.00 0.00 C ATOM 1820 C GLU A 117 10.006 6.715 -17.116 1.00 0.00 C ATOM 1821 O GLU A 117 10.851 7.565 -16.838 1.00 0.00 O ATOM 1822 CB GLU A 117 9.731 5.736 -19.402 1.00 0.00 C ATOM 1823 CG GLU A 117 10.422 4.946 -20.501 1.00 0.00 C ATOM 1824 CD GLU A 117 11.652 5.650 -21.039 1.00 0.00 C ATOM 1825 OE1 GLU A 117 11.497 6.548 -21.892 1.00 0.00 O ATOM 1826 OE2 GLU A 117 12.771 5.302 -20.607 1.00 0.00 O ATOM 0 H GLU A 117 9.546 3.599 -18.111 1.00 0.00 H new ATOM 0 HA GLU A 117 11.435 5.479 -18.118 1.00 0.00 H new ATOM 0 HB2 GLU A 117 8.680 5.449 -19.366 1.00 0.00 H new ATOM 0 HB3 GLU A 117 9.763 6.796 -19.653 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.707 3.967 -20.115 1.00 0.00 H new ATOM 0 HG3 GLU A 117 9.720 4.775 -21.317 1.00 0.00 H new ATOM 1833 N ALA A 118 8.758 6.760 -16.662 1.00 0.00 N ATOM 1834 CA ALA A 118 8.301 7.835 -15.790 1.00 0.00 C ATOM 1835 C ALA A 118 7.950 7.306 -14.403 1.00 0.00 C ATOM 1836 O ALA A 118 6.780 7.080 -14.092 1.00 0.00 O ATOM 1837 CB ALA A 118 7.102 8.541 -16.407 1.00 0.00 C ATOM 0 H ALA A 118 8.045 6.065 -16.884 1.00 0.00 H new ATOM 0 HA ALA A 118 9.115 8.552 -15.681 1.00 0.00 H new ATOM 0 HB1 ALA A 118 6.771 9.341 -15.745 1.00 0.00 H new ATOM 0 HB2 ALA A 118 7.384 8.961 -17.372 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.291 7.826 -16.546 1.00 0.00 H new ATOM 1843 N SER A 119 8.970 7.109 -13.574 1.00 0.00 N ATOM 1844 CA SER A 119 8.769 6.602 -12.222 1.00 0.00 C ATOM 1845 C SER A 119 7.889 7.549 -11.412 1.00 0.00 C ATOM 1846 O SER A 119 6.964 7.089 -10.744 1.00 0.00 O ATOM 1847 CB SER A 119 10.115 6.413 -11.520 1.00 0.00 C ATOM 1848 OG SER A 119 10.983 5.600 -12.291 1.00 0.00 O ATOM 0 H SER A 119 9.944 7.293 -13.815 1.00 0.00 H new ATOM 0 HA SER A 119 8.266 5.638 -12.293 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.579 7.384 -11.348 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.958 5.957 -10.542 1.00 0.00 H new ATOM 0 HG SER A 119 11.837 5.496 -11.821 1.00 0.00 H new ATOM 1854 N HIS A 120 8.193 8.836 -11.487 1.00 0.00 N ATOM 1855 CA HIS A 120 7.424 9.831 -10.758 1.00 0.00 C ATOM 1856 C HIS A 120 6.715 10.758 -11.748 1.00 0.00 C ATOM 1857 O HIS A 120 7.209 11.826 -12.109 1.00 0.00 O ATOM 1858 CB HIS A 120 8.313 10.587 -9.769 1.00 0.00 C ATOM 1859 CG HIS A 120 9.311 11.512 -10.424 1.00 0.00 C ATOM 1860 ND1 HIS A 120 10.426 11.053 -11.103 1.00 0.00 N ATOM 1861 CD2 HIS A 120 9.349 12.874 -10.497 1.00 0.00 C ATOM 1862 CE1 HIS A 120 11.098 12.100 -11.559 1.00 0.00 C ATOM 1863 NE2 HIS A 120 10.430 13.227 -11.182 1.00 0.00 N ATOM 0 H HIS A 120 8.961 9.213 -12.041 1.00 0.00 H new ATOM 0 HA HIS A 120 6.656 9.338 -10.162 1.00 0.00 H new ATOM 0 HB2 HIS A 120 7.680 11.168 -9.098 1.00 0.00 H new ATOM 0 HB3 HIS A 120 8.851 9.865 -9.154 1.00 0.00 H new ATOM 0 HD2 HIS A 120 8.623 13.550 -10.070 1.00 0.00 H new ATOM 0 HE1 HIS A 120 12.014 12.066 -12.129 1.00 0.00 H new ATOM 0 HE2 HIS A 120 10.714 14.184 -11.392 1.00 0.00 H new ATOM 1871 N SER A 121 5.537 10.322 -12.181 1.00 0.00 N ATOM 1872 CA SER A 121 4.739 11.090 -13.130 1.00 0.00 C ATOM 1873 C SER A 121 3.678 11.913 -12.407 1.00 0.00 C ATOM 1874 O SER A 121 2.848 11.373 -11.677 1.00 0.00 O ATOM 1875 CB SER A 121 4.075 10.156 -14.143 1.00 0.00 C ATOM 1876 OG SER A 121 3.368 9.115 -13.490 1.00 0.00 O ATOM 0 H SER A 121 5.114 9.441 -11.890 1.00 0.00 H new ATOM 0 HA SER A 121 5.405 11.773 -13.658 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.391 10.725 -14.773 1.00 0.00 H new ATOM 0 HB3 SER A 121 4.833 9.729 -14.800 1.00 0.00 H new ATOM 0 HG SER A 121 2.977 9.457 -12.659 1.00 0.00 H new ATOM 1882 N GLY A 122 3.711 13.226 -12.617 1.00 0.00 N ATOM 1883 CA GLY A 122 2.748 14.104 -11.979 1.00 0.00 C ATOM 1884 C GLY A 122 1.570 14.424 -12.878 1.00 0.00 C ATOM 1885 O GLY A 122 1.016 13.537 -13.526 1.00 0.00 O ATOM 0 H GLY A 122 4.388 13.697 -13.218 1.00 0.00 H new ATOM 0 HA2 GLY A 122 2.386 13.637 -11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 122 3.242 15.031 -11.689 1.00 0.00 H new ATOM 1889 N GLY A 123 1.186 15.696 -12.918 1.00 0.00 N ATOM 1890 CA GLY A 123 0.068 16.109 -13.746 1.00 0.00 C ATOM 1891 C GLY A 123 -1.251 15.535 -13.267 1.00 0.00 C ATOM 1892 O GLY A 123 -1.687 14.485 -13.738 1.00 0.00 O ATOM 0 H GLY A 123 1.630 16.448 -12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 123 0.007 17.197 -13.752 1.00 0.00 H new ATOM 0 HA3 GLY A 123 0.246 15.794 -14.774 1.00 0.00 H new ATOM 1896 N SER A 124 -1.887 16.226 -12.326 1.00 0.00 N ATOM 1897 CA SER A 124 -3.162 15.776 -11.778 1.00 0.00 C ATOM 1898 C SER A 124 -3.838 16.893 -10.989 1.00 0.00 C ATOM 1899 O SER A 124 -3.220 17.909 -10.674 1.00 0.00 O ATOM 1900 CB SER A 124 -2.953 14.556 -10.879 1.00 0.00 C ATOM 1901 OG SER A 124 -2.160 14.883 -9.751 1.00 0.00 O ATOM 0 H SER A 124 -1.541 17.099 -11.927 1.00 0.00 H new ATOM 0 HA SER A 124 -3.809 15.499 -12.610 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.919 14.173 -10.550 1.00 0.00 H new ATOM 0 HB3 SER A 124 -2.472 13.760 -11.447 1.00 0.00 H new ATOM 0 HG SER A 124 -2.043 14.087 -9.192 1.00 0.00 H new ATOM 1907 N GLY A 125 -5.115 16.696 -10.673 1.00 0.00 N ATOM 1908 CA GLY A 125 -5.856 17.694 -9.924 1.00 0.00 C ATOM 1909 C GLY A 125 -7.289 17.276 -9.661 1.00 0.00 C ATOM 1910 O GLY A 125 -7.723 16.191 -10.049 1.00 0.00 O ATOM 0 H GLY A 125 -5.649 15.863 -10.922 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -5.354 17.877 -8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.850 18.635 -10.474 1.00 0.00 H new ATOM 1914 N PRO A 126 -8.050 18.150 -8.986 1.00 0.00 N ATOM 1915 CA PRO A 126 -9.454 17.888 -8.656 1.00 0.00 C ATOM 1916 C PRO A 126 -10.353 17.907 -9.888 1.00 0.00 C ATOM 1917 O PRO A 126 -10.377 18.884 -10.635 1.00 0.00 O ATOM 1918 CB PRO A 126 -9.817 19.036 -7.711 1.00 0.00 C ATOM 1919 CG PRO A 126 -8.876 20.134 -8.070 1.00 0.00 C ATOM 1920 CD PRO A 126 -7.599 19.463 -8.494 1.00 0.00 C ATOM 0 HA PRO A 126 -9.592 16.899 -8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -10.854 19.344 -7.843 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.702 18.741 -6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -9.281 20.747 -8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -8.706 20.795 -7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -7.087 20.029 -9.272 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -6.902 19.363 -7.662 1.00 0.00 H new ATOM 1928 N SER A 127 -11.091 16.820 -10.093 1.00 0.00 N ATOM 1929 CA SER A 127 -11.989 16.711 -11.236 1.00 0.00 C ATOM 1930 C SER A 127 -13.312 16.071 -10.829 1.00 0.00 C ATOM 1931 O SER A 127 -13.358 15.234 -9.927 1.00 0.00 O ATOM 1932 CB SER A 127 -11.334 15.892 -12.350 1.00 0.00 C ATOM 1933 OG SER A 127 -10.321 16.637 -13.004 1.00 0.00 O ATOM 0 H SER A 127 -11.084 16.003 -9.482 1.00 0.00 H new ATOM 0 HA SER A 127 -12.191 17.717 -11.605 1.00 0.00 H new ATOM 0 HB2 SER A 127 -10.907 14.980 -11.932 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.090 15.587 -13.074 1.00 0.00 H new ATOM 0 HG SER A 127 -9.917 16.090 -13.710 1.00 0.00 H new ATOM 1939 N SER A 128 -14.388 16.469 -11.501 1.00 0.00 N ATOM 1940 CA SER A 128 -15.713 15.938 -11.207 1.00 0.00 C ATOM 1941 C SER A 128 -16.073 14.813 -12.172 1.00 0.00 C ATOM 1942 O SER A 128 -15.336 14.528 -13.115 1.00 0.00 O ATOM 1943 CB SER A 128 -16.761 17.050 -11.288 1.00 0.00 C ATOM 1944 OG SER A 128 -16.485 18.079 -10.354 1.00 0.00 O ATOM 0 H SER A 128 -14.367 17.158 -12.253 1.00 0.00 H new ATOM 0 HA SER A 128 -15.700 15.535 -10.194 1.00 0.00 H new ATOM 0 HB2 SER A 128 -16.779 17.465 -12.296 1.00 0.00 H new ATOM 0 HB3 SER A 128 -17.751 16.636 -11.096 1.00 0.00 H new ATOM 0 HG SER A 128 -17.168 18.778 -10.427 1.00 0.00 H new ATOM 1950 N GLY A 129 -17.215 14.175 -11.929 1.00 0.00 N ATOM 1951 CA GLY A 129 -17.654 13.088 -12.784 1.00 0.00 C ATOM 1952 C GLY A 129 -19.161 12.921 -12.781 1.00 0.00 C ATOM 1953 O GLY A 129 -19.827 13.257 -11.802 1.00 0.00 O ATOM 0 H GLY A 129 -17.843 14.392 -11.155 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -17.314 13.271 -13.803 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -17.188 12.159 -12.454 1.00 0.00 H new TER 1957 GLY A 129