USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 743 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 72 THR OG1 : rot -63:sc= 0.0517 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.0499 USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 0.0368 USER MOD Set 2.2: A 71 THR OG1 : rot 63:sc= 0.658 USER MOD Set 3.1: A 49 HIS : no HD1:sc= 0 X(o=-0.94,f=-0.96) USER MOD Set 3.2: A 73 TYR OH : rot 180:sc= -0.944 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0822 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 52:sc= 0.515 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 26:sc= 1 USER MOD Single : A 13 HIS : no HD1:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.29) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 160:sc= 0.131 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -3.08 K(o=-3.1,f=-11!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0554 USER MOD Single : A 58 ASN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 160:sc= -0.0236 (180deg=-0.242) USER MOD Single : A 69 SER OG : rot 170:sc= 0 USER MOD Single : A 70 SER OG : rot -42:sc= 1.04 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.0985 USER MOD Single : A 81 TYR OH : rot 30:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 55:sc= -0.172 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -170:sc= 1.27 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.866 -32.208 -7.148 1.00 0.00 N ATOM 2 CA GLY A 1 -19.482 -32.454 -6.787 1.00 0.00 C ATOM 3 C GLY A 1 -18.989 -31.511 -5.707 1.00 0.00 C ATOM 4 O GLY A 1 -19.751 -30.694 -5.191 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.460 -32.986 -6.797 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.182 -31.313 -6.723 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.949 -32.148 -8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.377 -33.483 -6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.854 -32.348 -7.672 1.00 0.00 H new ATOM 8 N SER A 2 -17.710 -31.626 -5.363 1.00 0.00 N ATOM 9 CA SER A 2 -17.117 -30.780 -4.334 1.00 0.00 C ATOM 10 C SER A 2 -15.766 -30.236 -4.789 1.00 0.00 C ATOM 11 O SER A 2 -14.835 -30.996 -5.054 1.00 0.00 O ATOM 12 CB SER A 2 -16.950 -31.566 -3.032 1.00 0.00 C ATOM 13 OG SER A 2 -16.677 -30.700 -1.944 1.00 0.00 O ATOM 0 H SER A 2 -17.065 -32.296 -5.782 1.00 0.00 H new ATOM 0 HA SER A 2 -17.788 -29.939 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.857 -32.135 -2.829 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.139 -32.286 -3.140 1.00 0.00 H new ATOM 0 HG SER A 2 -16.576 -31.227 -1.124 1.00 0.00 H new ATOM 19 N SER A 3 -15.668 -28.913 -4.878 1.00 0.00 N ATOM 20 CA SER A 3 -14.433 -28.266 -5.306 1.00 0.00 C ATOM 21 C SER A 3 -13.794 -27.500 -4.151 1.00 0.00 C ATOM 22 O SER A 3 -13.994 -26.295 -4.004 1.00 0.00 O ATOM 23 CB SER A 3 -14.708 -27.315 -6.472 1.00 0.00 C ATOM 24 OG SER A 3 -15.707 -26.368 -6.134 1.00 0.00 O ATOM 0 H SER A 3 -16.428 -28.269 -4.660 1.00 0.00 H new ATOM 0 HA SER A 3 -13.740 -29.041 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.789 -26.797 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.025 -27.887 -7.344 1.00 0.00 H new ATOM 0 HG SER A 3 -15.469 -25.928 -5.291 1.00 0.00 H new ATOM 30 N GLY A 4 -13.022 -28.210 -3.334 1.00 0.00 N ATOM 31 CA GLY A 4 -12.364 -27.583 -2.203 1.00 0.00 C ATOM 32 C GLY A 4 -10.860 -27.769 -2.230 1.00 0.00 C ATOM 33 O GLY A 4 -10.359 -28.861 -1.961 1.00 0.00 O ATOM 0 H GLY A 4 -12.841 -29.209 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.595 -26.518 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.762 -28.001 -1.278 1.00 0.00 H new ATOM 37 N SER A 5 -10.139 -26.702 -2.556 1.00 0.00 N ATOM 38 CA SER A 5 -8.683 -26.755 -2.623 1.00 0.00 C ATOM 39 C SER A 5 -8.060 -25.641 -1.787 1.00 0.00 C ATOM 40 O SER A 5 -8.641 -24.566 -1.633 1.00 0.00 O ATOM 41 CB SER A 5 -8.214 -26.641 -4.075 1.00 0.00 C ATOM 42 OG SER A 5 -8.344 -27.880 -4.751 1.00 0.00 O ATOM 0 H SER A 5 -10.539 -25.790 -2.778 1.00 0.00 H new ATOM 0 HA SER A 5 -8.360 -27.714 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.798 -25.879 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.174 -26.317 -4.100 1.00 0.00 H new ATOM 0 HG SER A 5 -8.040 -27.781 -5.677 1.00 0.00 H new ATOM 48 N SER A 6 -6.874 -25.906 -1.248 1.00 0.00 N ATOM 49 CA SER A 6 -6.173 -24.928 -0.424 1.00 0.00 C ATOM 50 C SER A 6 -4.947 -24.384 -1.151 1.00 0.00 C ATOM 51 O SER A 6 -3.990 -25.113 -1.409 1.00 0.00 O ATOM 52 CB SER A 6 -5.754 -25.558 0.905 1.00 0.00 C ATOM 53 OG SER A 6 -4.730 -26.518 0.715 1.00 0.00 O ATOM 0 H SER A 6 -6.379 -26.790 -1.367 1.00 0.00 H new ATOM 0 HA SER A 6 -6.854 -24.100 -0.227 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.406 -24.781 1.586 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.617 -26.030 1.375 1.00 0.00 H new ATOM 0 HG SER A 6 -4.223 -26.300 -0.095 1.00 0.00 H new ATOM 59 N GLY A 7 -4.985 -23.097 -1.480 1.00 0.00 N ATOM 60 CA GLY A 7 -3.872 -22.476 -2.175 1.00 0.00 C ATOM 61 C GLY A 7 -4.109 -21.004 -2.450 1.00 0.00 C ATOM 62 O GLY A 7 -4.754 -20.646 -3.437 1.00 0.00 O ATOM 0 H GLY A 7 -5.766 -22.473 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.966 -22.590 -1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.701 -22.996 -3.118 1.00 0.00 H new ATOM 66 N LEU A 8 -3.589 -20.149 -1.577 1.00 0.00 N ATOM 67 CA LEU A 8 -3.749 -18.707 -1.730 1.00 0.00 C ATOM 68 C LEU A 8 -3.637 -18.299 -3.196 1.00 0.00 C ATOM 69 O LEU A 8 -2.909 -18.920 -3.969 1.00 0.00 O ATOM 70 CB LEU A 8 -2.698 -17.967 -0.901 1.00 0.00 C ATOM 71 CG LEU A 8 -3.043 -17.737 0.570 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.865 -17.114 1.304 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.278 -16.857 0.697 1.00 0.00 C ATOM 0 H LEU A 8 -3.053 -20.429 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.742 -18.436 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.764 -18.527 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.514 -16.998 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.260 -18.702 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.129 -16.958 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.005 -17.780 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.616 -16.157 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.509 -16.704 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.089 -15.894 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.122 -17.342 0.207 1.00 0.00 H new ATOM 85 N ALA A 9 -4.362 -17.250 -3.569 1.00 0.00 N ATOM 86 CA ALA A 9 -4.341 -16.757 -4.941 1.00 0.00 C ATOM 87 C ALA A 9 -4.767 -15.294 -5.004 1.00 0.00 C ATOM 88 O ALA A 9 -5.631 -14.840 -4.253 1.00 0.00 O ATOM 89 CB ALA A 9 -5.242 -17.609 -5.822 1.00 0.00 C ATOM 0 H ALA A 9 -4.971 -16.725 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.318 -16.828 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.217 -17.229 -6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.892 -18.641 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.264 -17.568 -5.445 1.00 0.00 H new ATOM 95 N PRO A 10 -4.148 -14.536 -5.922 1.00 0.00 N ATOM 96 CA PRO A 10 -4.447 -13.112 -6.105 1.00 0.00 C ATOM 97 C PRO A 10 -5.830 -12.883 -6.706 1.00 0.00 C ATOM 98 O PRO A 10 -6.146 -13.361 -7.795 1.00 0.00 O ATOM 99 CB PRO A 10 -3.359 -12.643 -7.073 1.00 0.00 C ATOM 100 CG PRO A 10 -2.961 -13.869 -7.820 1.00 0.00 C ATOM 101 CD PRO A 10 -3.109 -15.010 -6.851 1.00 0.00 C ATOM 0 HA PRO A 10 -4.456 -12.572 -5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.734 -11.873 -7.747 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.512 -12.213 -6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.594 -14.016 -8.695 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -1.934 -13.792 -8.178 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.409 -15.929 -7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.173 -15.222 -6.333 1.00 0.00 H new ATOM 109 N PRO A 11 -6.674 -12.134 -5.981 1.00 0.00 N ATOM 110 CA PRO A 11 -8.037 -11.824 -6.424 1.00 0.00 C ATOM 111 C PRO A 11 -8.056 -10.870 -7.613 1.00 0.00 C ATOM 112 O PRO A 11 -8.734 -11.119 -8.610 1.00 0.00 O ATOM 113 CB PRO A 11 -8.667 -11.161 -5.197 1.00 0.00 C ATOM 114 CG PRO A 11 -7.515 -10.594 -4.440 1.00 0.00 C ATOM 115 CD PRO A 11 -6.364 -11.532 -4.673 1.00 0.00 C ATOM 0 HA PRO A 11 -8.567 -12.713 -6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.373 -10.382 -5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.219 -11.884 -4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.276 -9.589 -4.788 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.746 -10.517 -3.378 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.411 -11.003 -4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.296 -12.287 -3.889 1.00 0.00 H new ATOM 123 N ARG A 12 -7.308 -9.777 -7.502 1.00 0.00 N ATOM 124 CA ARG A 12 -7.240 -8.785 -8.568 1.00 0.00 C ATOM 125 C ARG A 12 -5.892 -8.070 -8.561 1.00 0.00 C ATOM 126 O ARG A 12 -5.003 -8.406 -7.778 1.00 0.00 O ATOM 127 CB ARG A 12 -8.371 -7.766 -8.418 1.00 0.00 C ATOM 128 CG ARG A 12 -9.645 -8.157 -9.150 1.00 0.00 C ATOM 129 CD ARG A 12 -10.879 -7.606 -8.453 1.00 0.00 C ATOM 130 NE ARG A 12 -12.104 -8.246 -8.924 1.00 0.00 N ATOM 131 CZ ARG A 12 -12.769 -7.855 -10.005 1.00 0.00 C ATOM 132 NH1 ARG A 12 -12.328 -6.832 -10.725 1.00 0.00 N ATOM 133 NH2 ARG A 12 -13.877 -8.488 -10.370 1.00 0.00 N ATOM 0 H ARG A 12 -6.740 -9.556 -6.684 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.351 -9.304 -9.520 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.595 -7.638 -7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.030 -6.800 -8.790 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.607 -7.784 -10.174 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.713 -9.243 -9.209 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.784 -7.753 -7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.943 -6.531 -8.624 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.469 -9.037 -8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.476 -6.344 -10.449 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.841 -6.534 -11.555 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.219 -9.276 -9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.387 -8.186 -11.201 1.00 0.00 H new ATOM 147 N HIS A 13 -5.747 -7.083 -9.439 1.00 0.00 N ATOM 148 CA HIS A 13 -4.507 -6.320 -9.534 1.00 0.00 C ATOM 149 C HIS A 13 -4.637 -4.981 -8.815 1.00 0.00 C ATOM 150 O HIS A 13 -5.738 -4.448 -8.667 1.00 0.00 O ATOM 151 CB HIS A 13 -4.135 -6.092 -11.000 1.00 0.00 C ATOM 152 CG HIS A 13 -3.579 -7.308 -11.673 1.00 0.00 C ATOM 153 ND1 HIS A 13 -2.802 -7.249 -12.811 1.00 0.00 N ATOM 154 CD2 HIS A 13 -3.689 -8.621 -11.362 1.00 0.00 C ATOM 155 CE1 HIS A 13 -2.460 -8.473 -13.171 1.00 0.00 C ATOM 156 NE2 HIS A 13 -2.985 -9.324 -12.308 1.00 0.00 N ATOM 0 H HIS A 13 -6.472 -6.793 -10.095 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.717 -6.896 -9.052 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.019 -5.759 -11.543 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.402 -5.287 -11.059 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.230 -9.038 -10.525 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -1.854 -8.734 -14.026 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -2.884 -10.338 -12.339 1.00 0.00 H new ATOM 165 N LEU A 14 -3.507 -4.442 -8.370 1.00 0.00 N ATOM 166 CA LEU A 14 -3.494 -3.165 -7.665 1.00 0.00 C ATOM 167 C LEU A 14 -3.269 -2.010 -8.635 1.00 0.00 C ATOM 168 O LEU A 14 -3.111 -2.218 -9.838 1.00 0.00 O ATOM 169 CB LEU A 14 -2.406 -3.164 -6.591 1.00 0.00 C ATOM 170 CG LEU A 14 -2.794 -3.767 -5.240 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.556 -4.039 -4.401 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.751 -2.845 -4.500 1.00 0.00 C ATOM 0 H LEU A 14 -2.588 -4.869 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.465 -3.031 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.544 -3.709 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.086 -2.135 -6.428 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.301 -4.715 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.852 -4.468 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.907 -4.739 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.020 -3.105 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.016 -3.290 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.271 -1.881 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.653 -2.702 -5.096 1.00 0.00 H new ATOM 184 N GLY A 15 -3.252 -0.792 -8.103 1.00 0.00 N ATOM 185 CA GLY A 15 -3.042 0.378 -8.936 1.00 0.00 C ATOM 186 C GLY A 15 -2.451 1.541 -8.164 1.00 0.00 C ATOM 187 O GLY A 15 -2.989 1.951 -7.136 1.00 0.00 O ATOM 0 H GLY A 15 -3.380 -0.594 -7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.378 0.119 -9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.992 0.683 -9.375 1.00 0.00 H new ATOM 191 N PHE A 16 -1.338 2.073 -8.659 1.00 0.00 N ATOM 192 CA PHE A 16 -0.670 3.194 -8.007 1.00 0.00 C ATOM 193 C PHE A 16 -0.735 4.446 -8.877 1.00 0.00 C ATOM 194 O PHE A 16 -0.238 4.459 -10.003 1.00 0.00 O ATOM 195 CB PHE A 16 0.788 2.842 -7.708 1.00 0.00 C ATOM 196 CG PHE A 16 0.946 1.637 -6.825 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.734 1.731 -5.458 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.305 0.411 -7.361 1.00 0.00 C ATOM 199 CE1 PHE A 16 0.878 0.624 -4.643 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.450 -0.699 -6.550 1.00 0.00 C ATOM 201 CZ PHE A 16 1.237 -0.592 -5.190 1.00 0.00 C ATOM 0 H PHE A 16 -0.880 1.746 -9.509 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.187 3.397 -7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.310 2.664 -8.648 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.269 3.696 -7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.453 2.680 -5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.473 0.321 -8.424 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.710 0.710 -3.580 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.730 -1.649 -6.980 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.351 -1.458 -4.555 1.00 0.00 H new ATOM 211 N SER A 17 -1.352 5.496 -8.346 1.00 0.00 N ATOM 212 CA SER A 17 -1.487 6.753 -9.074 1.00 0.00 C ATOM 213 C SER A 17 -1.202 7.942 -8.163 1.00 0.00 C ATOM 214 O SER A 17 -1.334 7.849 -6.942 1.00 0.00 O ATOM 215 CB SER A 17 -2.892 6.875 -9.667 1.00 0.00 C ATOM 216 OG SER A 17 -3.045 8.096 -10.369 1.00 0.00 O ATOM 0 H SER A 17 -1.767 5.502 -7.414 1.00 0.00 H new ATOM 0 HA SER A 17 -0.757 6.755 -9.884 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.080 6.039 -10.340 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.633 6.815 -8.870 1.00 0.00 H new ATOM 0 HG SER A 17 -3.951 8.149 -10.740 1.00 0.00 H new ATOM 222 N ASP A 18 -0.812 9.060 -8.765 1.00 0.00 N ATOM 223 CA ASP A 18 -0.509 10.270 -8.009 1.00 0.00 C ATOM 224 C ASP A 18 0.632 10.026 -7.026 1.00 0.00 C ATOM 225 O ASP A 18 0.705 10.659 -5.973 1.00 0.00 O ATOM 226 CB ASP A 18 -1.751 10.752 -7.257 1.00 0.00 C ATOM 227 CG ASP A 18 -1.759 12.254 -7.056 1.00 0.00 C ATOM 228 OD1 ASP A 18 -1.152 12.725 -6.071 1.00 0.00 O ATOM 229 OD2 ASP A 18 -2.372 12.960 -7.883 1.00 0.00 O ATOM 0 H ASP A 18 -0.698 9.154 -9.774 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.199 11.041 -8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.644 10.457 -7.809 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.799 10.258 -6.286 1.00 0.00 H new ATOM 234 N VAL A 19 1.521 9.102 -7.378 1.00 0.00 N ATOM 235 CA VAL A 19 2.659 8.773 -6.527 1.00 0.00 C ATOM 236 C VAL A 19 3.567 9.982 -6.333 1.00 0.00 C ATOM 237 O VAL A 19 3.953 10.644 -7.297 1.00 0.00 O ATOM 238 CB VAL A 19 3.485 7.615 -7.117 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.694 7.320 -6.242 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.620 6.374 -7.281 1.00 0.00 C ATOM 0 H VAL A 19 1.475 8.568 -8.246 1.00 0.00 H new ATOM 0 HA VAL A 19 2.255 8.466 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 19 3.844 7.913 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.265 6.499 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.324 8.207 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.360 7.042 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.219 5.565 -7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.230 6.071 -6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.790 6.595 -7.952 1.00 0.00 H new ATOM 250 N SER A 20 3.906 10.266 -5.079 1.00 0.00 N ATOM 251 CA SER A 20 4.767 11.398 -4.757 1.00 0.00 C ATOM 252 C SER A 20 6.130 10.921 -4.264 1.00 0.00 C ATOM 253 O SER A 20 6.392 9.720 -4.194 1.00 0.00 O ATOM 254 CB SER A 20 4.108 12.281 -3.695 1.00 0.00 C ATOM 255 OG SER A 20 4.519 13.630 -3.828 1.00 0.00 O ATOM 0 H SER A 20 3.597 9.728 -4.270 1.00 0.00 H new ATOM 0 HA SER A 20 4.913 11.982 -5.666 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.024 12.217 -3.786 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.367 11.915 -2.701 1.00 0.00 H new ATOM 0 HG SER A 20 4.083 14.174 -3.139 1.00 0.00 H new ATOM 261 N HIS A 21 6.994 11.872 -3.923 1.00 0.00 N ATOM 262 CA HIS A 21 8.331 11.550 -3.436 1.00 0.00 C ATOM 263 C HIS A 21 8.306 11.248 -1.940 1.00 0.00 C ATOM 264 O HIS A 21 9.262 10.700 -1.392 1.00 0.00 O ATOM 265 CB HIS A 21 9.292 12.705 -3.719 1.00 0.00 C ATOM 266 CG HIS A 21 8.781 14.035 -3.256 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.260 14.981 -4.114 1.00 0.00 N ATOM 268 CD2 HIS A 21 8.713 14.575 -2.017 1.00 0.00 C ATOM 269 CE1 HIS A 21 7.895 16.046 -3.422 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.159 15.825 -2.147 1.00 0.00 N ATOM 0 H HIS A 21 6.793 12.871 -3.975 1.00 0.00 H new ATOM 0 HA HIS A 21 8.678 10.661 -3.963 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.246 12.501 -3.232 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.485 12.752 -4.791 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.035 14.110 -1.097 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.456 16.944 -3.830 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.980 16.477 -1.383 1.00 0.00 H new ATOM 279 N ASP A 22 7.208 11.610 -1.287 1.00 0.00 N ATOM 280 CA ASP A 22 7.058 11.378 0.145 1.00 0.00 C ATOM 281 C ASP A 22 5.698 10.761 0.456 1.00 0.00 C ATOM 282 O ASP A 22 5.232 10.805 1.594 1.00 0.00 O ATOM 283 CB ASP A 22 7.226 12.689 0.916 1.00 0.00 C ATOM 284 CG ASP A 22 6.000 13.576 0.822 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.734 14.106 -0.277 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.308 13.741 1.848 1.00 0.00 O ATOM 0 H ASP A 22 6.408 12.066 -1.726 1.00 0.00 H new ATOM 0 HA ASP A 22 7.834 10.679 0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.431 12.468 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.091 13.227 0.528 1.00 0.00 H new ATOM 291 N ALA A 23 5.067 10.187 -0.563 1.00 0.00 N ATOM 292 CA ALA A 23 3.762 9.561 -0.398 1.00 0.00 C ATOM 293 C ALA A 23 3.358 8.793 -1.653 1.00 0.00 C ATOM 294 O ALA A 23 3.929 8.994 -2.724 1.00 0.00 O ATOM 295 CB ALA A 23 2.712 10.609 -0.058 1.00 0.00 C ATOM 0 H ALA A 23 5.439 10.143 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 23 3.830 8.850 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.742 10.127 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.986 11.110 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.655 11.342 -0.863 1.00 0.00 H new ATOM 301 N ALA A 24 2.373 7.913 -1.511 1.00 0.00 N ATOM 302 CA ALA A 24 1.893 7.117 -2.634 1.00 0.00 C ATOM 303 C ALA A 24 0.451 6.672 -2.415 1.00 0.00 C ATOM 304 O ALA A 24 0.108 6.141 -1.358 1.00 0.00 O ATOM 305 CB ALA A 24 2.793 5.908 -2.846 1.00 0.00 C ATOM 0 H ALA A 24 1.892 7.733 -0.630 1.00 0.00 H new ATOM 0 HA ALA A 24 1.922 7.740 -3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.423 5.322 -3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.809 6.243 -3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.792 5.292 -1.947 1.00 0.00 H new ATOM 311 N ARG A 25 -0.391 6.894 -3.419 1.00 0.00 N ATOM 312 CA ARG A 25 -1.797 6.519 -3.335 1.00 0.00 C ATOM 313 C ARG A 25 -2.034 5.154 -3.975 1.00 0.00 C ATOM 314 O ARG A 25 -1.893 4.992 -5.187 1.00 0.00 O ATOM 315 CB ARG A 25 -2.671 7.573 -4.017 1.00 0.00 C ATOM 316 CG ARG A 25 -4.150 7.441 -3.694 1.00 0.00 C ATOM 317 CD ARG A 25 -4.969 8.525 -4.377 1.00 0.00 C ATOM 318 NE ARG A 25 -5.356 8.145 -5.733 1.00 0.00 N ATOM 319 CZ ARG A 25 -6.372 7.334 -6.008 1.00 0.00 C ATOM 320 NH1 ARG A 25 -7.099 6.821 -5.025 1.00 0.00 N ATOM 321 NH2 ARG A 25 -6.662 7.035 -7.267 1.00 0.00 N ATOM 0 H ARG A 25 -0.123 7.332 -4.300 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.069 6.460 -2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.330 8.564 -3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.536 7.501 -5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.506 6.461 -4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.294 7.500 -2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.863 8.729 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.392 9.449 -4.410 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.817 8.523 -6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.879 7.049 -4.055 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.878 6.199 -5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.105 7.428 -8.026 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.442 6.412 -7.477 1.00 0.00 H new ATOM 335 N VAL A 26 -2.395 4.174 -3.152 1.00 0.00 N ATOM 336 CA VAL A 26 -2.652 2.824 -3.637 1.00 0.00 C ATOM 337 C VAL A 26 -4.148 2.527 -3.670 1.00 0.00 C ATOM 338 O VAL A 26 -4.860 2.764 -2.695 1.00 0.00 O ATOM 339 CB VAL A 26 -1.951 1.769 -2.761 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.367 1.922 -1.306 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.256 0.368 -3.267 1.00 0.00 C ATOM 0 H VAL A 26 -2.516 4.291 -2.146 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.251 2.770 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.874 1.926 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.862 1.168 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.092 2.915 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.446 1.792 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.752 -0.364 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.332 0.196 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.903 0.267 -4.293 1.00 0.00 H new ATOM 351 N PHE A 27 -4.617 2.007 -4.799 1.00 0.00 N ATOM 352 CA PHE A 27 -6.029 1.678 -4.961 1.00 0.00 C ATOM 353 C PHE A 27 -6.197 0.307 -5.608 1.00 0.00 C ATOM 354 O PHE A 27 -5.295 -0.186 -6.285 1.00 0.00 O ATOM 355 CB PHE A 27 -6.729 2.744 -5.807 1.00 0.00 C ATOM 356 CG PHE A 27 -6.249 2.791 -7.229 1.00 0.00 C ATOM 357 CD1 PHE A 27 -5.082 3.461 -7.558 1.00 0.00 C ATOM 358 CD2 PHE A 27 -6.964 2.165 -8.237 1.00 0.00 C ATOM 359 CE1 PHE A 27 -4.637 3.506 -8.866 1.00 0.00 C ATOM 360 CE2 PHE A 27 -6.524 2.206 -9.546 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.360 2.878 -9.862 1.00 0.00 C ATOM 0 H PHE A 27 -4.040 1.804 -5.616 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.486 1.651 -3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.802 2.555 -5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.575 3.720 -5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.513 3.954 -6.784 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.876 1.639 -7.997 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.725 4.031 -9.109 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.090 1.713 -10.322 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.016 2.913 -10.885 1.00 0.00 H new ATOM 371 N TRP A 28 -7.357 -0.303 -5.394 1.00 0.00 N ATOM 372 CA TRP A 28 -7.644 -1.618 -5.956 1.00 0.00 C ATOM 373 C TRP A 28 -8.945 -1.598 -6.751 1.00 0.00 C ATOM 374 O TRP A 28 -9.698 -0.627 -6.700 1.00 0.00 O ATOM 375 CB TRP A 28 -7.728 -2.664 -4.843 1.00 0.00 C ATOM 376 CG TRP A 28 -8.409 -2.161 -3.606 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.688 -2.429 -3.209 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.848 -1.303 -2.607 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.956 -1.788 -2.023 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.843 -1.092 -1.633 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.602 -0.694 -2.440 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.628 -0.297 -0.510 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.390 0.095 -1.326 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.398 0.288 -0.372 1.00 0.00 C ATOM 0 H TRP A 28 -8.114 0.092 -4.836 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.831 -1.882 -6.632 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.264 -3.537 -5.215 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.721 -2.993 -4.587 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.386 -3.053 -3.748 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.840 -1.825 -1.516 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.818 -0.837 -3.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.404 -0.147 0.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.431 0.571 -1.188 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.201 0.910 0.489 1.00 0.00 H new ATOM 395 N GLU A 29 -9.201 -2.676 -7.486 1.00 0.00 N ATOM 396 CA GLU A 29 -10.411 -2.780 -8.292 1.00 0.00 C ATOM 397 C GLU A 29 -11.535 -3.446 -7.503 1.00 0.00 C ATOM 398 O GLU A 29 -12.525 -3.902 -8.075 1.00 0.00 O ATOM 399 CB GLU A 29 -10.132 -3.572 -9.571 1.00 0.00 C ATOM 400 CG GLU A 29 -9.265 -2.827 -10.572 1.00 0.00 C ATOM 401 CD GLU A 29 -10.079 -1.981 -11.533 1.00 0.00 C ATOM 402 OE1 GLU A 29 -11.092 -1.396 -11.096 1.00 0.00 O ATOM 403 OE2 GLU A 29 -9.703 -1.905 -12.721 1.00 0.00 O ATOM 0 H GLU A 29 -8.587 -3.489 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.726 -1.771 -8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.644 -4.510 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.080 -3.828 -10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.564 -2.188 -10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.672 -3.545 -11.139 1.00 0.00 H new ATOM 410 N GLY A 30 -11.373 -3.500 -6.185 1.00 0.00 N ATOM 411 CA GLY A 30 -12.381 -4.113 -5.338 1.00 0.00 C ATOM 412 C GLY A 30 -12.352 -5.627 -5.406 1.00 0.00 C ATOM 413 O GLY A 30 -12.006 -6.202 -6.437 1.00 0.00 O ATOM 0 H GLY A 30 -10.562 -3.131 -5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.227 -3.796 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.367 -3.758 -5.637 1.00 0.00 H new ATOM 417 N ALA A 31 -12.716 -6.274 -4.304 1.00 0.00 N ATOM 418 CA ALA A 31 -12.731 -7.730 -4.243 1.00 0.00 C ATOM 419 C ALA A 31 -14.096 -8.282 -4.639 1.00 0.00 C ATOM 420 O ALA A 31 -15.117 -7.601 -4.550 1.00 0.00 O ATOM 421 CB ALA A 31 -12.352 -8.204 -2.847 1.00 0.00 C ATOM 0 H ALA A 31 -13.004 -5.813 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.996 -8.106 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.367 -9.293 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.352 -7.848 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.065 -7.810 -2.123 1.00 0.00 H new ATOM 427 N PRO A 32 -14.117 -9.546 -5.087 1.00 0.00 N ATOM 428 CA PRO A 32 -15.351 -10.217 -5.506 1.00 0.00 C ATOM 429 C PRO A 32 -16.276 -10.515 -4.331 1.00 0.00 C ATOM 430 O PRO A 32 -17.343 -11.105 -4.503 1.00 0.00 O ATOM 431 CB PRO A 32 -14.850 -11.519 -6.137 1.00 0.00 C ATOM 432 CG PRO A 32 -13.533 -11.772 -5.489 1.00 0.00 C ATOM 433 CD PRO A 32 -12.937 -10.417 -5.220 1.00 0.00 C ATOM 0 HA PRO A 32 -15.942 -9.599 -6.183 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.544 -12.339 -5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.747 -11.421 -7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.655 -12.335 -4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.885 -12.361 -6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.333 -10.417 -4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.289 -10.094 -6.035 1.00 0.00 H new ATOM 441 N ARG A 33 -15.860 -10.105 -3.138 1.00 0.00 N ATOM 442 CA ARG A 33 -16.652 -10.329 -1.934 1.00 0.00 C ATOM 443 C ARG A 33 -16.641 -9.094 -1.038 1.00 0.00 C ATOM 444 O ARG A 33 -15.700 -8.300 -1.045 1.00 0.00 O ATOM 445 CB ARG A 33 -16.116 -11.536 -1.163 1.00 0.00 C ATOM 446 CG ARG A 33 -14.676 -11.375 -0.703 1.00 0.00 C ATOM 447 CD ARG A 33 -14.046 -12.717 -0.363 1.00 0.00 C ATOM 448 NE ARG A 33 -14.924 -13.540 0.464 1.00 0.00 N ATOM 449 CZ ARG A 33 -14.491 -14.530 1.236 1.00 0.00 C ATOM 450 NH1 ARG A 33 -13.198 -14.819 1.287 1.00 0.00 N ATOM 451 NH2 ARG A 33 -15.352 -15.234 1.960 1.00 0.00 N ATOM 0 H ARG A 33 -14.979 -9.616 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.680 -10.527 -2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.749 -11.711 -0.293 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.190 -12.422 -1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.095 -10.887 -1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.643 -10.724 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.810 -13.251 -1.284 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.104 -12.553 0.160 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.925 -13.344 0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.533 -14.280 0.732 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.869 -15.580 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.348 -15.015 1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.018 -15.994 2.553 1.00 0.00 H new ATOM 465 N PRO A 34 -17.711 -8.926 -0.248 1.00 0.00 N ATOM 466 CA PRO A 34 -17.849 -7.790 0.669 1.00 0.00 C ATOM 467 C PRO A 34 -16.875 -7.868 1.839 1.00 0.00 C ATOM 468 O PRO A 34 -16.555 -8.955 2.322 1.00 0.00 O ATOM 469 CB PRO A 34 -19.292 -7.908 1.165 1.00 0.00 C ATOM 470 CG PRO A 34 -19.626 -9.352 1.020 1.00 0.00 C ATOM 471 CD PRO A 34 -18.870 -9.833 -0.187 1.00 0.00 C ATOM 0 HA PRO A 34 -17.629 -6.842 0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.382 -7.583 2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -19.965 -7.285 0.576 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.336 -9.911 1.910 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.699 -9.493 0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.561 -10.873 -0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.476 -9.772 -1.091 1.00 0.00 H new ATOM 479 N VAL A 35 -16.406 -6.710 2.292 1.00 0.00 N ATOM 480 CA VAL A 35 -15.469 -6.647 3.407 1.00 0.00 C ATOM 481 C VAL A 35 -15.975 -5.708 4.497 1.00 0.00 C ATOM 482 O VAL A 35 -16.679 -4.738 4.217 1.00 0.00 O ATOM 483 CB VAL A 35 -14.077 -6.178 2.945 1.00 0.00 C ATOM 484 CG1 VAL A 35 -13.130 -6.070 4.130 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.520 -7.122 1.891 1.00 0.00 C ATOM 0 H VAL A 35 -16.660 -5.802 1.903 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.388 -7.656 3.810 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.175 -5.189 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.151 -5.737 3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.525 -5.351 4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.034 -7.044 4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.536 -6.775 1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.435 -8.125 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.190 -7.143 1.031 1.00 0.00 H new ATOM 495 N ARG A 36 -15.610 -6.003 5.740 1.00 0.00 N ATOM 496 CA ARG A 36 -16.027 -5.186 6.873 1.00 0.00 C ATOM 497 C ARG A 36 -14.935 -4.191 7.257 1.00 0.00 C ATOM 498 O ARG A 36 -15.221 -3.082 7.708 1.00 0.00 O ATOM 499 CB ARG A 36 -16.368 -6.073 8.072 1.00 0.00 C ATOM 500 CG ARG A 36 -15.231 -6.991 8.493 1.00 0.00 C ATOM 501 CD ARG A 36 -15.472 -7.577 9.875 1.00 0.00 C ATOM 502 NE ARG A 36 -15.167 -6.621 10.936 1.00 0.00 N ATOM 503 CZ ARG A 36 -15.492 -6.809 12.210 1.00 0.00 C ATOM 504 NH1 ARG A 36 -16.129 -7.912 12.580 1.00 0.00 N ATOM 505 NH2 ARG A 36 -15.180 -5.893 13.118 1.00 0.00 N ATOM 0 H ARG A 36 -15.026 -6.802 5.988 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.916 -4.628 6.578 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.644 -5.440 8.915 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -17.241 -6.678 7.829 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.126 -7.798 7.768 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.293 -6.435 8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.512 -7.892 9.959 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.858 -8.468 10.003 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.678 -5.762 10.685 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.371 -8.619 11.885 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.377 -8.053 13.559 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.690 -5.043 12.838 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.430 -6.039 14.096 1.00 0.00 H new ATOM 519 N LEU A 37 -13.683 -4.597 7.076 1.00 0.00 N ATOM 520 CA LEU A 37 -12.547 -3.742 7.403 1.00 0.00 C ATOM 521 C LEU A 37 -11.346 -4.070 6.522 1.00 0.00 C ATOM 522 O LEU A 37 -11.243 -5.171 5.980 1.00 0.00 O ATOM 523 CB LEU A 37 -12.170 -3.903 8.877 1.00 0.00 C ATOM 524 CG LEU A 37 -11.016 -3.032 9.374 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.437 -1.573 9.438 1.00 0.00 C ATOM 526 CD2 LEU A 37 -10.535 -3.511 10.736 1.00 0.00 C ATOM 0 H LEU A 37 -13.429 -5.512 6.705 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.838 -2.708 7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.050 -3.685 9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.913 -4.947 9.053 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.190 -3.119 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.603 -0.969 9.794 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.732 -1.235 8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.279 -1.467 10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.713 -2.880 11.074 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.355 -3.454 11.452 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.192 -4.543 10.658 1.00 0.00 H new ATOM 538 N VAL A 38 -10.439 -3.108 6.383 1.00 0.00 N ATOM 539 CA VAL A 38 -9.243 -3.296 5.570 1.00 0.00 C ATOM 540 C VAL A 38 -7.992 -2.859 6.324 1.00 0.00 C ATOM 541 O VAL A 38 -8.008 -1.866 7.051 1.00 0.00 O ATOM 542 CB VAL A 38 -9.334 -2.509 4.249 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.060 -2.682 3.436 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.551 -2.950 3.449 1.00 0.00 C ATOM 0 H VAL A 38 -10.510 -2.190 6.823 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.176 -4.361 5.347 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.446 -1.450 4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.142 -2.119 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.210 -2.313 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.914 -3.738 3.209 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.600 -2.384 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.472 -4.013 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.454 -2.769 4.032 1.00 0.00 H new ATOM 554 N ARG A 39 -6.909 -3.609 6.146 1.00 0.00 N ATOM 555 CA ARG A 39 -5.649 -3.300 6.810 1.00 0.00 C ATOM 556 C ARG A 39 -4.493 -3.308 5.813 1.00 0.00 C ATOM 557 O ARG A 39 -4.187 -4.337 5.210 1.00 0.00 O ATOM 558 CB ARG A 39 -5.378 -4.306 7.930 1.00 0.00 C ATOM 559 CG ARG A 39 -4.570 -3.732 9.082 1.00 0.00 C ATOM 560 CD ARG A 39 -4.183 -4.809 10.083 1.00 0.00 C ATOM 561 NE ARG A 39 -3.196 -5.736 9.535 1.00 0.00 N ATOM 562 CZ ARG A 39 -2.459 -6.550 10.282 1.00 0.00 C ATOM 563 NH1 ARG A 39 -2.597 -6.553 11.601 1.00 0.00 N ATOM 564 NH2 ARG A 39 -1.581 -7.365 9.710 1.00 0.00 N ATOM 0 H ARG A 39 -6.879 -4.435 5.548 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.729 -2.301 7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.329 -4.675 8.313 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.847 -5.163 7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.670 -3.254 8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.150 -2.958 9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.781 -4.341 10.982 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.073 -5.362 10.382 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.066 -5.759 8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.271 -5.929 12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.029 -7.179 12.172 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.472 -7.366 8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.015 -7.990 10.285 1.00 0.00 H new ATOM 578 N VAL A 40 -3.855 -2.154 5.645 1.00 0.00 N ATOM 579 CA VAL A 40 -2.733 -2.028 4.723 1.00 0.00 C ATOM 580 C VAL A 40 -1.413 -1.911 5.476 1.00 0.00 C ATOM 581 O VAL A 40 -1.327 -1.236 6.502 1.00 0.00 O ATOM 582 CB VAL A 40 -2.897 -0.803 3.803 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.837 -0.808 2.713 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.293 -0.772 3.201 1.00 0.00 C ATOM 0 H VAL A 40 -4.096 -1.293 6.136 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.721 -2.932 4.114 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.764 0.099 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.969 0.065 2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.847 -0.778 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.934 -1.714 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.391 0.100 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.458 -1.678 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.033 -0.716 4.000 1.00 0.00 H new ATOM 594 N THR A 41 -0.382 -2.575 4.960 1.00 0.00 N ATOM 595 CA THR A 41 0.934 -2.547 5.584 1.00 0.00 C ATOM 596 C THR A 41 2.026 -2.290 4.551 1.00 0.00 C ATOM 597 O THR A 41 2.272 -3.118 3.674 1.00 0.00 O ATOM 598 CB THR A 41 1.237 -3.867 6.316 1.00 0.00 C ATOM 599 OG1 THR A 41 0.929 -4.980 5.469 1.00 0.00 O ATOM 600 CG2 THR A 41 0.436 -3.967 7.605 1.00 0.00 C ATOM 0 H THR A 41 -0.434 -3.138 4.111 1.00 0.00 H new ATOM 0 HA THR A 41 0.923 -1.733 6.309 1.00 0.00 H new ATOM 0 HB THR A 41 2.298 -3.883 6.564 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.126 -5.815 5.942 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.667 -4.908 8.105 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.695 -3.135 8.260 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.629 -3.930 7.375 1.00 0.00 H new ATOM 608 N TYR A 42 2.678 -1.138 4.661 1.00 0.00 N ATOM 609 CA TYR A 42 3.744 -0.771 3.736 1.00 0.00 C ATOM 610 C TYR A 42 5.109 -0.870 4.409 1.00 0.00 C ATOM 611 O TYR A 42 5.245 -0.605 5.604 1.00 0.00 O ATOM 612 CB TYR A 42 3.524 0.648 3.209 1.00 0.00 C ATOM 613 CG TYR A 42 3.238 1.660 4.296 1.00 0.00 C ATOM 614 CD1 TYR A 42 2.005 1.692 4.935 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.201 2.583 4.684 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.739 2.615 5.928 1.00 0.00 C ATOM 617 CE2 TYR A 42 3.945 3.509 5.677 1.00 0.00 C ATOM 618 CZ TYR A 42 2.712 3.521 6.295 1.00 0.00 C ATOM 619 OH TYR A 42 2.451 4.441 7.285 1.00 0.00 O ATOM 0 H TYR A 42 2.487 -0.442 5.382 1.00 0.00 H new ATOM 0 HA TYR A 42 3.721 -1.470 2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.409 0.962 2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.693 0.640 2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.241 0.983 4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.167 2.577 4.201 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.775 2.627 6.414 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.705 4.219 5.967 1.00 0.00 H new ATOM 0 HH TYR A 42 3.240 5.005 7.424 1.00 0.00 H new ATOM 629 N VAL A 43 6.118 -1.253 3.633 1.00 0.00 N ATOM 630 CA VAL A 43 7.474 -1.385 4.153 1.00 0.00 C ATOM 631 C VAL A 43 8.506 -1.012 3.095 1.00 0.00 C ATOM 632 O VAL A 43 8.315 -1.270 1.907 1.00 0.00 O ATOM 633 CB VAL A 43 7.750 -2.820 4.640 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.791 -3.785 3.465 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.050 -2.873 5.429 1.00 0.00 C ATOM 0 H VAL A 43 6.022 -1.477 2.643 1.00 0.00 H new ATOM 0 HA VAL A 43 7.559 -0.700 4.997 1.00 0.00 H new ATOM 0 HB VAL A 43 6.937 -3.124 5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.987 -4.793 3.829 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.833 -3.767 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.582 -3.487 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.230 -3.894 5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.875 -2.550 4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.978 -2.213 6.294 1.00 0.00 H new ATOM 645 N SER A 44 9.602 -0.402 3.535 1.00 0.00 N ATOM 646 CA SER A 44 10.665 0.011 2.626 1.00 0.00 C ATOM 647 C SER A 44 11.232 -1.189 1.873 1.00 0.00 C ATOM 648 O SER A 44 10.841 -2.330 2.117 1.00 0.00 O ATOM 649 CB SER A 44 11.781 0.716 3.399 1.00 0.00 C ATOM 650 OG SER A 44 12.245 -0.086 4.471 1.00 0.00 O ATOM 0 H SER A 44 9.777 -0.183 4.516 1.00 0.00 H new ATOM 0 HA SER A 44 10.240 0.706 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.608 0.942 2.725 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.415 1.668 3.785 1.00 0.00 H new ATOM 0 HG SER A 44 13.137 0.216 4.743 1.00 0.00 H new ATOM 656 N SER A 45 12.156 -0.921 0.956 1.00 0.00 N ATOM 657 CA SER A 45 12.775 -1.977 0.163 1.00 0.00 C ATOM 658 C SER A 45 13.791 -2.755 0.994 1.00 0.00 C ATOM 659 O SER A 45 13.588 -3.929 1.301 1.00 0.00 O ATOM 660 CB SER A 45 13.456 -1.384 -1.071 1.00 0.00 C ATOM 661 OG SER A 45 13.496 -2.323 -2.132 1.00 0.00 O ATOM 0 H SER A 45 12.493 0.018 0.744 1.00 0.00 H new ATOM 0 HA SER A 45 11.992 -2.664 -0.158 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.920 -0.491 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.470 -1.074 -0.817 1.00 0.00 H new ATOM 0 HG SER A 45 13.935 -1.919 -2.910 1.00 0.00 H new ATOM 667 N GLU A 46 14.885 -2.090 1.355 1.00 0.00 N ATOM 668 CA GLU A 46 15.933 -2.720 2.149 1.00 0.00 C ATOM 669 C GLU A 46 15.357 -3.330 3.424 1.00 0.00 C ATOM 670 O GLU A 46 15.644 -4.478 3.760 1.00 0.00 O ATOM 671 CB GLU A 46 17.017 -1.700 2.503 1.00 0.00 C ATOM 672 CG GLU A 46 17.556 -0.942 1.301 1.00 0.00 C ATOM 673 CD GLU A 46 16.772 0.322 1.009 1.00 0.00 C ATOM 674 OE1 GLU A 46 17.027 1.347 1.675 1.00 0.00 O ATOM 675 OE2 GLU A 46 15.902 0.286 0.114 1.00 0.00 O ATOM 0 H GLU A 46 15.068 -1.117 1.110 1.00 0.00 H new ATOM 0 HA GLU A 46 16.376 -3.518 1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.612 -0.986 3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.841 -2.215 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.600 -0.685 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.531 -1.591 0.426 1.00 0.00 H new ATOM 682 N GLY A 47 14.544 -2.551 4.131 1.00 0.00 N ATOM 683 CA GLY A 47 13.941 -3.030 5.361 1.00 0.00 C ATOM 684 C GLY A 47 14.362 -2.216 6.568 1.00 0.00 C ATOM 685 O GLY A 47 15.404 -2.476 7.169 1.00 0.00 O ATOM 0 H GLY A 47 14.292 -1.597 3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.856 -2.999 5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.218 -4.073 5.516 1.00 0.00 H new ATOM 689 N GLY A 48 13.549 -1.226 6.925 1.00 0.00 N ATOM 690 CA GLY A 48 13.861 -0.385 8.066 1.00 0.00 C ATOM 691 C GLY A 48 12.689 0.479 8.487 1.00 0.00 C ATOM 692 O GLY A 48 12.395 0.601 9.677 1.00 0.00 O ATOM 0 H GLY A 48 12.680 -0.992 6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.165 -1.013 8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.710 0.254 7.821 1.00 0.00 H new ATOM 696 N HIS A 49 12.018 1.081 7.510 1.00 0.00 N ATOM 697 CA HIS A 49 10.871 1.939 7.786 1.00 0.00 C ATOM 698 C HIS A 49 9.583 1.307 7.268 1.00 0.00 C ATOM 699 O HIS A 49 9.394 1.160 6.061 1.00 0.00 O ATOM 700 CB HIS A 49 11.071 3.314 7.148 1.00 0.00 C ATOM 701 CG HIS A 49 9.837 4.162 7.153 1.00 0.00 C ATOM 702 ND1 HIS A 49 9.245 4.637 6.002 1.00 0.00 N ATOM 703 CD2 HIS A 49 9.080 4.618 8.179 1.00 0.00 C ATOM 704 CE1 HIS A 49 8.179 5.350 6.319 1.00 0.00 C ATOM 705 NE2 HIS A 49 8.057 5.354 7.634 1.00 0.00 N ATOM 0 H HIS A 49 12.249 0.991 6.521 1.00 0.00 H new ATOM 0 HA HIS A 49 10.788 2.057 8.866 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.865 3.839 7.679 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.407 3.183 6.120 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.249 4.437 9.230 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.520 5.845 5.622 1.00 0.00 H new ATOM 0 HE2 HIS A 49 7.322 5.827 8.160 1.00 0.00 H new ATOM 714 N SER A 50 8.700 0.935 8.189 1.00 0.00 N ATOM 715 CA SER A 50 7.431 0.315 7.826 1.00 0.00 C ATOM 716 C SER A 50 6.278 0.941 8.603 1.00 0.00 C ATOM 717 O SER A 50 6.489 1.647 9.588 1.00 0.00 O ATOM 718 CB SER A 50 7.481 -1.191 8.091 1.00 0.00 C ATOM 719 OG SER A 50 7.715 -1.460 9.463 1.00 0.00 O ATOM 0 H SER A 50 8.840 1.052 9.193 1.00 0.00 H new ATOM 0 HA SER A 50 7.263 0.485 6.762 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.541 -1.649 7.782 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.269 -1.643 7.489 1.00 0.00 H new ATOM 0 HG SER A 50 7.741 -2.429 9.607 1.00 0.00 H new ATOM 725 N GLY A 51 5.055 0.678 8.151 1.00 0.00 N ATOM 726 CA GLY A 51 3.885 1.223 8.814 1.00 0.00 C ATOM 727 C GLY A 51 2.642 0.389 8.576 1.00 0.00 C ATOM 728 O GLY A 51 2.733 -0.766 8.163 1.00 0.00 O ATOM 0 H GLY A 51 4.854 0.097 7.337 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.076 1.288 9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.711 2.239 8.459 1.00 0.00 H new ATOM 732 N GLN A 52 1.479 0.976 8.839 1.00 0.00 N ATOM 733 CA GLN A 52 0.212 0.277 8.652 1.00 0.00 C ATOM 734 C GLN A 52 -0.965 1.230 8.824 1.00 0.00 C ATOM 735 O GLN A 52 -0.903 2.177 9.610 1.00 0.00 O ATOM 736 CB GLN A 52 0.095 -0.882 9.643 1.00 0.00 C ATOM 737 CG GLN A 52 -1.274 -1.543 9.646 1.00 0.00 C ATOM 738 CD GLN A 52 -2.228 -0.905 10.637 1.00 0.00 C ATOM 739 OE1 GLN A 52 -3.101 -0.122 10.261 1.00 0.00 O ATOM 740 NE2 GLN A 52 -2.066 -1.237 11.913 1.00 0.00 N ATOM 0 H GLN A 52 1.387 1.932 9.182 1.00 0.00 H new ATOM 0 HA GLN A 52 0.190 -0.119 7.637 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.850 -1.631 9.405 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.315 -0.516 10.646 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.703 -1.486 8.646 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.162 -2.601 9.885 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.329 -1.890 12.181 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.678 -0.839 12.625 1.00 0.00 H new ATOM 749 N THR A 53 -2.040 0.975 8.084 1.00 0.00 N ATOM 750 CA THR A 53 -3.232 1.811 8.154 1.00 0.00 C ATOM 751 C THR A 53 -4.500 0.970 8.055 1.00 0.00 C ATOM 752 O THR A 53 -4.487 -0.124 7.493 1.00 0.00 O ATOM 753 CB THR A 53 -3.242 2.869 7.034 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.454 3.630 7.091 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.114 2.212 5.668 1.00 0.00 C ATOM 0 H THR A 53 -2.109 0.196 7.429 1.00 0.00 H new ATOM 0 HA THR A 53 -3.209 2.315 9.120 1.00 0.00 H new ATOM 0 HB THR A 53 -2.389 3.532 7.182 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.452 4.302 6.377 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.123 2.979 4.893 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.177 1.657 5.618 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.949 1.529 5.513 1.00 0.00 H new ATOM 763 N GLU A 54 -5.593 1.490 8.604 1.00 0.00 N ATOM 764 CA GLU A 54 -6.869 0.785 8.577 1.00 0.00 C ATOM 765 C GLU A 54 -7.912 1.578 7.795 1.00 0.00 C ATOM 766 O GLU A 54 -8.001 2.799 7.920 1.00 0.00 O ATOM 767 CB GLU A 54 -7.368 0.532 10.002 1.00 0.00 C ATOM 768 CG GLU A 54 -6.832 -0.751 10.615 1.00 0.00 C ATOM 769 CD GLU A 54 -7.310 -0.961 12.039 1.00 0.00 C ATOM 770 OE1 GLU A 54 -8.539 -1.047 12.244 1.00 0.00 O ATOM 771 OE2 GLU A 54 -6.457 -1.040 12.947 1.00 0.00 O ATOM 0 H GLU A 54 -5.621 2.396 9.072 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.716 -0.172 8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.082 1.374 10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.457 0.494 9.995 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.141 -1.598 10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.742 -0.728 10.601 1.00 0.00 H new ATOM 778 N ALA A 55 -8.700 0.874 6.989 1.00 0.00 N ATOM 779 CA ALA A 55 -9.738 1.511 6.188 1.00 0.00 C ATOM 780 C ALA A 55 -11.008 0.668 6.165 1.00 0.00 C ATOM 781 O ALA A 55 -10.993 -0.530 6.448 1.00 0.00 O ATOM 782 CB ALA A 55 -9.237 1.753 4.771 1.00 0.00 C ATOM 0 H ALA A 55 -8.639 -0.138 6.873 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.978 2.471 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.022 2.229 4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.362 2.402 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.968 0.801 4.313 1.00 0.00 H new ATOM 788 N PRO A 56 -12.137 1.307 5.821 1.00 0.00 N ATOM 789 CA PRO A 56 -13.438 0.635 5.753 1.00 0.00 C ATOM 790 C PRO A 56 -13.523 -0.347 4.590 1.00 0.00 C ATOM 791 O PRO A 56 -12.906 -0.143 3.546 1.00 0.00 O ATOM 792 CB PRO A 56 -14.423 1.789 5.553 1.00 0.00 C ATOM 793 CG PRO A 56 -13.619 2.866 4.912 1.00 0.00 C ATOM 794 CD PRO A 56 -12.229 2.734 5.471 1.00 0.00 C ATOM 0 HA PRO A 56 -13.636 0.038 6.643 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.260 1.490 4.921 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.843 2.120 6.503 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.615 2.757 3.827 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.037 3.848 5.132 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.473 3.018 4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.084 3.372 6.343 1.00 0.00 H new ATOM 802 N GLY A 57 -14.292 -1.415 4.778 1.00 0.00 N ATOM 803 CA GLY A 57 -14.444 -2.413 3.735 1.00 0.00 C ATOM 804 C GLY A 57 -15.001 -1.830 2.452 1.00 0.00 C ATOM 805 O GLY A 57 -14.997 -2.487 1.411 1.00 0.00 O ATOM 0 H GLY A 57 -14.813 -1.607 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.476 -2.872 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.105 -3.205 4.088 1.00 0.00 H new ATOM 809 N ASN A 58 -15.482 -0.593 2.525 1.00 0.00 N ATOM 810 CA ASN A 58 -16.046 0.078 1.359 1.00 0.00 C ATOM 811 C ASN A 58 -15.020 1.005 0.715 1.00 0.00 C ATOM 812 O ASN A 58 -15.340 1.758 -0.204 1.00 0.00 O ATOM 813 CB ASN A 58 -17.291 0.874 1.757 1.00 0.00 C ATOM 814 CG ASN A 58 -18.420 -0.018 2.235 1.00 0.00 C ATOM 815 OD1 ASN A 58 -19.032 0.238 3.272 1.00 0.00 O ATOM 816 ND2 ASN A 58 -18.700 -1.073 1.479 1.00 0.00 N ATOM 0 H ASN A 58 -15.493 -0.035 3.379 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.326 -0.684 0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.031 1.580 2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.632 1.461 0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.449 -1.710 1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.166 -1.246 0.627 1.00 0.00 H new ATOM 823 N ALA A 59 -13.785 0.942 1.203 1.00 0.00 N ATOM 824 CA ALA A 59 -12.712 1.774 0.674 1.00 0.00 C ATOM 825 C ALA A 59 -11.995 1.077 -0.478 1.00 0.00 C ATOM 826 O ALA A 59 -11.530 -0.055 -0.341 1.00 0.00 O ATOM 827 CB ALA A 59 -11.724 2.125 1.776 1.00 0.00 C ATOM 0 H ALA A 59 -13.503 0.323 1.964 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.154 2.694 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.928 2.747 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.240 2.670 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.296 1.210 2.186 1.00 0.00 H new ATOM 833 N THR A 60 -11.910 1.760 -1.616 1.00 0.00 N ATOM 834 CA THR A 60 -11.252 1.206 -2.792 1.00 0.00 C ATOM 835 C THR A 60 -9.939 1.925 -3.077 1.00 0.00 C ATOM 836 O THR A 60 -9.353 1.767 -4.149 1.00 0.00 O ATOM 837 CB THR A 60 -12.156 1.298 -4.036 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.482 2.666 -4.305 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.433 0.496 -3.838 1.00 0.00 C ATOM 0 H THR A 60 -12.289 2.698 -1.747 1.00 0.00 H new ATOM 0 HA THR A 60 -11.049 0.157 -2.576 1.00 0.00 H new ATOM 0 HB THR A 60 -11.613 0.881 -4.884 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.055 2.716 -5.098 1.00 0.00 H new ATOM 0 HG21 THR A 60 -14.055 0.576 -4.730 1.00 0.00 H new ATOM 0 HG22 THR A 60 -13.182 -0.550 -3.664 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.978 0.886 -2.979 1.00 0.00 H new ATOM 847 N SER A 61 -9.480 2.715 -2.112 1.00 0.00 N ATOM 848 CA SER A 61 -8.237 3.462 -2.261 1.00 0.00 C ATOM 849 C SER A 61 -7.768 4.010 -0.917 1.00 0.00 C ATOM 850 O SER A 61 -8.576 4.288 -0.032 1.00 0.00 O ATOM 851 CB SER A 61 -8.422 4.609 -3.256 1.00 0.00 C ATOM 852 OG SER A 61 -9.556 5.392 -2.926 1.00 0.00 O ATOM 0 H SER A 61 -9.951 2.854 -1.218 1.00 0.00 H new ATOM 0 HA SER A 61 -7.476 2.780 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.531 5.237 -3.261 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.534 4.207 -4.263 1.00 0.00 H new ATOM 0 HG SER A 61 -9.652 6.119 -3.576 1.00 0.00 H new ATOM 858 N ALA A 62 -6.455 4.162 -0.773 1.00 0.00 N ATOM 859 CA ALA A 62 -5.877 4.679 0.462 1.00 0.00 C ATOM 860 C ALA A 62 -4.498 5.280 0.213 1.00 0.00 C ATOM 861 O ALA A 62 -3.763 4.827 -0.664 1.00 0.00 O ATOM 862 CB ALA A 62 -5.794 3.577 1.507 1.00 0.00 C ATOM 0 H ALA A 62 -5.772 3.935 -1.496 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.527 5.470 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.361 3.977 2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.794 3.196 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.168 2.767 1.133 1.00 0.00 H new ATOM 868 N MET A 63 -4.154 6.302 0.990 1.00 0.00 N ATOM 869 CA MET A 63 -2.861 6.964 0.853 1.00 0.00 C ATOM 870 C MET A 63 -1.850 6.391 1.841 1.00 0.00 C ATOM 871 O MET A 63 -2.223 5.752 2.826 1.00 0.00 O ATOM 872 CB MET A 63 -3.010 8.470 1.073 1.00 0.00 C ATOM 873 CG MET A 63 -3.713 9.185 -0.070 1.00 0.00 C ATOM 874 SD MET A 63 -3.163 10.891 -0.265 1.00 0.00 S ATOM 875 CE MET A 63 -1.529 10.643 -0.956 1.00 0.00 C ATOM 0 H MET A 63 -4.751 6.690 1.720 1.00 0.00 H new ATOM 0 HA MET A 63 -2.495 6.787 -0.158 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.566 8.641 1.995 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.022 8.908 1.212 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.535 8.642 -0.998 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.789 9.172 0.105 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.203 11.555 -1.455 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.830 10.396 -0.157 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.559 9.826 -1.677 1.00 0.00 H new ATOM 885 N LEU A 64 -0.570 6.624 1.572 1.00 0.00 N ATOM 886 CA LEU A 64 0.495 6.131 2.438 1.00 0.00 C ATOM 887 C LEU A 64 1.593 7.177 2.600 1.00 0.00 C ATOM 888 O LEU A 64 1.796 8.020 1.727 1.00 0.00 O ATOM 889 CB LEU A 64 1.086 4.840 1.868 1.00 0.00 C ATOM 890 CG LEU A 64 0.079 3.805 1.366 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.728 2.877 0.351 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.494 3.009 2.530 1.00 0.00 C ATOM 0 H LEU A 64 -0.245 7.151 0.761 1.00 0.00 H new ATOM 0 HA LEU A 64 0.066 5.926 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.750 5.101 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.701 4.375 2.638 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.739 4.332 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.004 2.147 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.088 3.460 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.566 2.358 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.209 2.277 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.313 2.493 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.997 3.686 3.221 1.00 0.00 H new ATOM 904 N GLY A 65 2.301 7.116 3.724 1.00 0.00 N ATOM 905 CA GLY A 65 3.370 8.063 3.980 1.00 0.00 C ATOM 906 C GLY A 65 3.399 8.530 5.422 1.00 0.00 C ATOM 907 O GLY A 65 2.612 8.084 6.257 1.00 0.00 O ATOM 0 H GLY A 65 2.153 6.427 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.326 7.603 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.252 8.926 3.324 1.00 0.00 H new ATOM 911 N PRO A 66 4.324 9.451 5.731 1.00 0.00 N ATOM 912 CA PRO A 66 5.266 9.989 4.745 1.00 0.00 C ATOM 913 C PRO A 66 6.298 8.957 4.305 1.00 0.00 C ATOM 914 O PRO A 66 6.969 8.342 5.136 1.00 0.00 O ATOM 915 CB PRO A 66 5.945 11.139 5.494 1.00 0.00 C ATOM 916 CG PRO A 66 5.825 10.776 6.934 1.00 0.00 C ATOM 917 CD PRO A 66 4.523 10.036 7.068 1.00 0.00 C ATOM 0 HA PRO A 66 4.764 10.297 3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.989 11.243 5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.458 12.091 5.284 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.662 10.153 7.250 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.834 11.666 7.563 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.575 9.267 7.839 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.707 10.705 7.339 1.00 0.00 H new ATOM 925 N LEU A 67 6.421 8.771 2.996 1.00 0.00 N ATOM 926 CA LEU A 67 7.373 7.812 2.445 1.00 0.00 C ATOM 927 C LEU A 67 8.658 8.510 2.011 1.00 0.00 C ATOM 928 O LEU A 67 8.820 9.714 2.209 1.00 0.00 O ATOM 929 CB LEU A 67 6.754 7.074 1.257 1.00 0.00 C ATOM 930 CG LEU A 67 5.351 6.507 1.476 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.829 5.865 0.200 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.355 5.501 2.619 1.00 0.00 C ATOM 0 H LEU A 67 5.874 9.271 2.296 1.00 0.00 H new ATOM 0 HA LEU A 67 7.618 7.091 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.720 7.757 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.416 6.254 0.979 1.00 0.00 H new ATOM 0 HG LEU A 67 4.686 7.328 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.829 5.467 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.788 6.612 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.495 5.055 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.348 5.108 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.034 4.682 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.685 5.992 3.535 1.00 0.00 H new ATOM 944 N SER A 68 9.569 7.745 1.418 1.00 0.00 N ATOM 945 CA SER A 68 10.841 8.289 0.957 1.00 0.00 C ATOM 946 C SER A 68 10.804 8.560 -0.544 1.00 0.00 C ATOM 947 O SER A 68 9.793 8.321 -1.204 1.00 0.00 O ATOM 948 CB SER A 68 11.981 7.323 1.284 1.00 0.00 C ATOM 949 OG SER A 68 13.236 7.979 1.234 1.00 0.00 O ATOM 0 H SER A 68 9.450 6.747 1.246 1.00 0.00 H new ATOM 0 HA SER A 68 11.014 9.232 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.829 6.898 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.973 6.493 0.577 1.00 0.00 H new ATOM 0 HG SER A 68 13.948 7.340 1.448 1.00 0.00 H new ATOM 955 N SER A 69 11.915 9.060 -1.076 1.00 0.00 N ATOM 956 CA SER A 69 12.010 9.368 -2.498 1.00 0.00 C ATOM 957 C SER A 69 12.903 8.359 -3.214 1.00 0.00 C ATOM 958 O SER A 69 13.808 7.779 -2.614 1.00 0.00 O ATOM 959 CB SER A 69 12.556 10.783 -2.700 1.00 0.00 C ATOM 960 OG SER A 69 13.672 11.023 -1.860 1.00 0.00 O ATOM 0 H SER A 69 12.762 9.260 -0.544 1.00 0.00 H new ATOM 0 HA SER A 69 11.009 9.308 -2.925 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.845 10.919 -3.742 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.774 11.512 -2.488 1.00 0.00 H new ATOM 0 HG SER A 69 14.101 11.866 -2.118 1.00 0.00 H new ATOM 966 N SER A 70 12.641 8.155 -4.501 1.00 0.00 N ATOM 967 CA SER A 70 13.417 7.213 -5.299 1.00 0.00 C ATOM 968 C SER A 70 13.613 5.899 -4.551 1.00 0.00 C ATOM 969 O SER A 70 14.622 5.215 -4.725 1.00 0.00 O ATOM 970 CB SER A 70 14.776 7.816 -5.659 1.00 0.00 C ATOM 971 OG SER A 70 15.528 6.931 -6.470 1.00 0.00 O ATOM 0 H SER A 70 11.897 8.629 -5.013 1.00 0.00 H new ATOM 0 HA SER A 70 12.863 7.009 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.631 8.760 -6.184 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.331 8.040 -4.748 1.00 0.00 H new ATOM 0 HG SER A 70 15.443 6.018 -6.124 1.00 0.00 H new ATOM 977 N THR A 71 12.639 5.550 -3.715 1.00 0.00 N ATOM 978 CA THR A 71 12.703 4.319 -2.938 1.00 0.00 C ATOM 979 C THR A 71 11.489 3.437 -3.204 1.00 0.00 C ATOM 980 O THR A 71 10.352 3.909 -3.200 1.00 0.00 O ATOM 981 CB THR A 71 12.790 4.611 -1.428 1.00 0.00 C ATOM 982 OG1 THR A 71 14.024 5.272 -1.127 1.00 0.00 O ATOM 983 CG2 THR A 71 12.687 3.326 -0.621 1.00 0.00 C ATOM 0 H THR A 71 11.796 6.103 -3.559 1.00 0.00 H new ATOM 0 HA THR A 71 13.606 3.795 -3.252 1.00 0.00 H new ATOM 0 HB THR A 71 11.956 5.259 -1.157 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.052 6.137 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.751 3.558 0.442 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.734 2.841 -0.830 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.503 2.657 -0.896 1.00 0.00 H new ATOM 991 N THR A 72 11.736 2.151 -3.434 1.00 0.00 N ATOM 992 CA THR A 72 10.663 1.202 -3.703 1.00 0.00 C ATOM 993 C THR A 72 10.009 0.732 -2.409 1.00 0.00 C ATOM 994 O THR A 72 10.673 0.183 -1.530 1.00 0.00 O ATOM 995 CB THR A 72 11.178 -0.024 -4.480 1.00 0.00 C ATOM 996 OG1 THR A 72 11.816 0.396 -5.691 1.00 0.00 O ATOM 997 CG2 THR A 72 10.038 -0.977 -4.805 1.00 0.00 C ATOM 0 H THR A 72 12.671 1.743 -3.439 1.00 0.00 H new ATOM 0 HA THR A 72 9.925 1.724 -4.312 1.00 0.00 H new ATOM 0 HB THR A 72 11.900 -0.547 -3.853 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.161 0.839 -6.269 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.426 -1.835 -5.354 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.574 -1.318 -3.880 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.296 -0.462 -5.415 1.00 0.00 H new ATOM 1005 N TYR A 73 8.703 0.949 -2.299 1.00 0.00 N ATOM 1006 CA TYR A 73 7.959 0.549 -1.111 1.00 0.00 C ATOM 1007 C TYR A 73 7.031 -0.623 -1.419 1.00 0.00 C ATOM 1008 O TYR A 73 6.318 -0.620 -2.422 1.00 0.00 O ATOM 1009 CB TYR A 73 7.148 1.727 -0.570 1.00 0.00 C ATOM 1010 CG TYR A 73 7.961 2.689 0.266 1.00 0.00 C ATOM 1011 CD1 TYR A 73 8.818 3.606 -0.331 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.874 2.680 1.652 1.00 0.00 C ATOM 1013 CE1 TYR A 73 9.563 4.487 0.429 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.615 3.558 2.420 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.458 4.459 1.804 1.00 0.00 C ATOM 1016 OH TYR A 73 10.199 5.334 2.565 1.00 0.00 O ATOM 0 H TYR A 73 8.138 1.400 -3.019 1.00 0.00 H new ATOM 0 HA TYR A 73 8.676 0.233 -0.354 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.708 2.269 -1.407 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.323 1.344 0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.903 3.630 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.216 1.975 2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.224 5.194 -0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.534 3.539 3.497 1.00 0.00 H new ATOM 0 HH TYR A 73 10.008 5.184 3.515 1.00 0.00 H new ATOM 1026 N THR A 74 7.046 -1.626 -0.546 1.00 0.00 N ATOM 1027 CA THR A 74 6.208 -2.805 -0.723 1.00 0.00 C ATOM 1028 C THR A 74 4.878 -2.648 0.005 1.00 0.00 C ATOM 1029 O THR A 74 4.783 -2.898 1.207 1.00 0.00 O ATOM 1030 CB THR A 74 6.912 -4.077 -0.213 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.193 -4.212 -0.840 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.070 -5.312 -0.495 1.00 0.00 C ATOM 0 H THR A 74 7.629 -1.645 0.290 1.00 0.00 H new ATOM 0 HA THR A 74 6.025 -2.904 -1.793 1.00 0.00 H new ATOM 0 HB THR A 74 7.043 -3.986 0.865 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.635 -5.022 -0.510 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.588 -6.197 -0.126 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.107 -5.219 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.911 -5.406 -1.569 1.00 0.00 H new ATOM 1040 N VAL A 75 3.851 -2.234 -0.730 1.00 0.00 N ATOM 1041 CA VAL A 75 2.525 -2.045 -0.154 1.00 0.00 C ATOM 1042 C VAL A 75 1.747 -3.356 -0.125 1.00 0.00 C ATOM 1043 O VAL A 75 1.801 -4.143 -1.071 1.00 0.00 O ATOM 1044 CB VAL A 75 1.715 -0.998 -0.941 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.316 -0.858 -0.360 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.437 0.341 -0.943 1.00 0.00 C ATOM 0 H VAL A 75 3.912 -2.023 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 75 2.671 -1.689 0.866 1.00 0.00 H new ATOM 0 HB VAL A 75 1.621 -1.336 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.241 -0.114 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.199 -1.817 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.384 -0.542 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.851 1.069 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.563 0.688 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.415 0.226 -1.410 1.00 0.00 H new ATOM 1056 N ARG A 76 1.024 -3.585 0.966 1.00 0.00 N ATOM 1057 CA ARG A 76 0.235 -4.801 1.119 1.00 0.00 C ATOM 1058 C ARG A 76 -1.164 -4.481 1.637 1.00 0.00 C ATOM 1059 O ARG A 76 -1.324 -3.959 2.740 1.00 0.00 O ATOM 1060 CB ARG A 76 0.934 -5.771 2.073 1.00 0.00 C ATOM 1061 CG ARG A 76 0.576 -7.229 1.830 1.00 0.00 C ATOM 1062 CD ARG A 76 1.540 -8.165 2.542 1.00 0.00 C ATOM 1063 NE ARG A 76 1.096 -8.480 3.897 1.00 0.00 N ATOM 1064 CZ ARG A 76 1.883 -9.018 4.822 1.00 0.00 C ATOM 1065 NH1 ARG A 76 3.147 -9.300 4.539 1.00 0.00 N ATOM 1066 NH2 ARG A 76 1.405 -9.275 6.033 1.00 0.00 N ATOM 0 H ARG A 76 0.968 -2.944 1.757 1.00 0.00 H new ATOM 0 HA ARG A 76 0.142 -5.269 0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.013 -5.649 1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.675 -5.508 3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.440 -7.418 2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.591 -7.435 0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.639 -9.087 1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.528 -7.706 2.582 1.00 0.00 H new ATOM 0 HE ARG A 76 0.128 -8.276 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.517 -9.104 3.609 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.749 -9.713 5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.433 -9.059 6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.010 -9.688 6.743 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.174 -4.796 0.832 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.560 -4.542 1.209 1.00 0.00 C ATOM 1082 C VAL A 77 -4.245 -5.820 1.677 1.00 0.00 C ATOM 1083 O VAL A 77 -4.568 -6.696 0.873 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.360 -3.943 0.037 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.810 -3.722 0.438 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.724 -2.643 -0.433 1.00 0.00 C ATOM 0 H VAL A 77 -2.059 -5.227 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.538 -3.824 2.029 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.341 -4.650 -0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.359 -3.298 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.258 -4.674 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.853 -3.035 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.302 -2.234 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.710 -1.927 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.703 -2.836 -0.763 1.00 0.00 H new ATOM 1096 N THR A 78 -4.465 -5.923 2.985 1.00 0.00 N ATOM 1097 CA THR A 78 -5.112 -7.095 3.561 1.00 0.00 C ATOM 1098 C THR A 78 -6.552 -6.790 3.956 1.00 0.00 C ATOM 1099 O THR A 78 -6.803 -6.135 4.968 1.00 0.00 O ATOM 1100 CB THR A 78 -4.350 -7.606 4.798 1.00 0.00 C ATOM 1101 OG1 THR A 78 -2.974 -7.829 4.469 1.00 0.00 O ATOM 1102 CG2 THR A 78 -4.967 -8.894 5.321 1.00 0.00 C ATOM 0 H THR A 78 -4.204 -5.208 3.665 1.00 0.00 H new ATOM 0 HA THR A 78 -5.105 -7.869 2.793 1.00 0.00 H new ATOM 0 HB THR A 78 -4.418 -6.847 5.577 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.496 -8.152 5.261 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.411 -9.235 6.195 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.005 -8.713 5.599 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.927 -9.658 4.545 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.495 -7.269 3.152 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.912 -7.047 3.418 1.00 0.00 C ATOM 1112 C CYS A 79 -9.452 -8.089 4.392 1.00 0.00 C ATOM 1113 O CYS A 79 -9.524 -9.276 4.071 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.709 -7.089 2.113 1.00 0.00 C ATOM 1115 SG CYS A 79 -9.486 -5.632 1.065 1.00 0.00 S ATOM 0 H CYS A 79 -7.304 -7.813 2.311 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.022 -6.062 3.871 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.418 -7.976 1.550 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.768 -7.195 2.350 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.198 -5.761 -0.015 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.829 -7.638 5.583 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.362 -8.532 6.606 1.00 0.00 C ATOM 1123 C LEU A 80 -11.858 -8.755 6.409 1.00 0.00 C ATOM 1124 O LEU A 80 -12.667 -7.862 6.663 1.00 0.00 O ATOM 1125 CB LEU A 80 -10.099 -7.959 7.999 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.709 -8.220 8.581 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.387 -9.706 8.547 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.655 -7.426 7.822 1.00 0.00 C ATOM 0 H LEU A 80 -9.776 -6.659 5.865 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.855 -9.493 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.259 -6.881 7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.841 -8.369 8.685 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.703 -7.892 9.620 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.394 -9.873 8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.125 -10.252 9.135 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.411 -10.060 7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.672 -7.624 8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.661 -7.723 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.876 -6.361 7.899 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.218 -9.951 5.957 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.618 -10.291 5.726 1.00 0.00 C ATOM 1142 C TYR A 81 -14.332 -10.580 7.043 1.00 0.00 C ATOM 1143 O TYR A 81 -13.744 -11.082 8.001 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.723 -11.502 4.798 1.00 0.00 C ATOM 1145 CG TYR A 81 -12.932 -11.355 3.519 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.344 -10.483 2.519 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -11.770 -12.088 3.310 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.625 -10.347 1.348 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.043 -11.957 2.142 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.474 -11.086 1.164 1.00 0.00 C ATOM 1151 OH TYR A 81 -10.754 -10.952 0.000 1.00 0.00 O ATOM 0 H TYR A 81 -11.561 -10.701 5.743 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.101 -9.436 5.252 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.376 -12.388 5.330 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.771 -11.669 4.550 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.243 -9.901 2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.429 -12.772 4.073 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.962 -9.666 0.580 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.142 -12.534 1.996 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.864 -10.043 -0.350 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.633 -10.257 7.092 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.458 -10.475 8.284 1.00 0.00 C ATOM 1163 C PRO A 82 -16.714 -11.954 8.550 1.00 0.00 C ATOM 1164 O PRO A 82 -16.924 -12.362 9.692 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.767 -9.758 7.945 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.824 -9.757 6.456 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.399 -9.656 5.987 1.00 0.00 C ATOM 0 HA PRO A 82 -15.974 -10.104 9.188 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.625 -10.276 8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.777 -8.743 8.342 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.294 -10.667 6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.416 -8.919 6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.245 -10.194 5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.106 -8.621 5.811 1.00 0.00 H new ATOM 1175 N GLY A 83 -16.695 -12.754 7.488 1.00 0.00 N ATOM 1176 CA GLY A 83 -16.927 -14.180 7.629 1.00 0.00 C ATOM 1177 C GLY A 83 -15.754 -14.897 8.267 1.00 0.00 C ATOM 1178 O GLY A 83 -15.676 -15.008 9.490 1.00 0.00 O ATOM 0 H GLY A 83 -16.523 -12.440 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -17.820 -14.342 8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.123 -14.612 6.648 1.00 0.00 H new ATOM 1182 N GLY A 84 -14.839 -15.388 7.437 1.00 0.00 N ATOM 1183 CA GLY A 84 -13.678 -16.094 7.946 1.00 0.00 C ATOM 1184 C GLY A 84 -12.534 -16.121 6.952 1.00 0.00 C ATOM 1185 O GLY A 84 -12.617 -16.778 5.916 1.00 0.00 O ATOM 0 H GLY A 84 -14.881 -15.309 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.343 -15.619 8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.960 -17.116 8.199 1.00 0.00 H new ATOM 1189 N GLY A 85 -11.461 -15.402 7.268 1.00 0.00 N ATOM 1190 CA GLY A 85 -10.311 -15.358 6.384 1.00 0.00 C ATOM 1191 C GLY A 85 -9.991 -13.951 5.918 1.00 0.00 C ATOM 1192 O GLY A 85 -10.616 -12.987 6.359 1.00 0.00 O ATOM 0 H GLY A 85 -11.368 -14.849 8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.445 -15.773 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.499 -15.991 5.517 1.00 0.00 H new ATOM 1196 N SER A 86 -9.013 -13.833 5.025 1.00 0.00 N ATOM 1197 CA SER A 86 -8.607 -12.533 4.503 1.00 0.00 C ATOM 1198 C SER A 86 -7.576 -12.693 3.390 1.00 0.00 C ATOM 1199 O SER A 86 -6.756 -13.610 3.416 1.00 0.00 O ATOM 1200 CB SER A 86 -8.033 -11.666 5.625 1.00 0.00 C ATOM 1201 OG SER A 86 -6.917 -12.293 6.234 1.00 0.00 O ATOM 0 H SER A 86 -8.487 -14.622 4.648 1.00 0.00 H new ATOM 0 HA SER A 86 -9.489 -12.043 4.090 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.736 -10.697 5.224 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.802 -11.479 6.374 1.00 0.00 H new ATOM 0 HG SER A 86 -6.567 -11.718 6.947 1.00 0.00 H new ATOM 1207 N SER A 87 -7.626 -11.793 2.413 1.00 0.00 N ATOM 1208 CA SER A 87 -6.699 -11.834 1.288 1.00 0.00 C ATOM 1209 C SER A 87 -5.512 -10.907 1.527 1.00 0.00 C ATOM 1210 O SER A 87 -5.406 -10.271 2.577 1.00 0.00 O ATOM 1211 CB SER A 87 -7.416 -11.441 -0.005 1.00 0.00 C ATOM 1212 OG SER A 87 -6.536 -11.500 -1.114 1.00 0.00 O ATOM 0 H SER A 87 -8.298 -11.027 2.378 1.00 0.00 H new ATOM 0 HA SER A 87 -6.327 -12.854 1.193 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.262 -12.107 -0.172 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.818 -10.433 0.091 1.00 0.00 H new ATOM 0 HG SER A 87 -6.130 -12.391 -1.163 1.00 0.00 H new ATOM 1218 N THR A 88 -4.619 -10.833 0.545 1.00 0.00 N ATOM 1219 CA THR A 88 -3.438 -9.985 0.647 1.00 0.00 C ATOM 1220 C THR A 88 -2.967 -9.530 -0.729 1.00 0.00 C ATOM 1221 O THR A 88 -2.391 -10.310 -1.488 1.00 0.00 O ATOM 1222 CB THR A 88 -2.283 -10.714 1.358 1.00 0.00 C ATOM 1223 OG1 THR A 88 -2.750 -11.303 2.577 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.141 -9.755 1.658 1.00 0.00 C ATOM 0 H THR A 88 -4.692 -11.351 -0.331 1.00 0.00 H new ATOM 0 HA THR A 88 -3.725 -9.114 1.236 1.00 0.00 H new ATOM 0 HB THR A 88 -1.915 -11.497 0.695 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.009 -11.766 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.337 -10.293 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.767 -9.331 0.726 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.499 -8.953 2.303 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.215 -8.264 -1.046 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.815 -7.704 -2.332 1.00 0.00 C ATOM 1234 C LEU A 89 -1.467 -6.998 -2.223 1.00 0.00 C ATOM 1235 O LEU A 89 -1.358 -5.937 -1.608 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.877 -6.726 -2.837 1.00 0.00 C ATOM 1237 CG LEU A 89 -4.988 -7.328 -3.699 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.117 -6.327 -3.889 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.436 -7.773 -5.046 1.00 0.00 C ATOM 0 H LEU A 89 -3.691 -7.606 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.718 -8.524 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.336 -6.242 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.379 -5.946 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.387 -8.202 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.898 -6.772 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.531 -6.056 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.732 -5.434 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.240 -8.199 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.010 -6.915 -5.566 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.662 -8.524 -4.892 1.00 0.00 H new ATOM 1251 N THR A 90 -0.443 -7.593 -2.827 1.00 0.00 N ATOM 1252 CA THR A 90 0.897 -7.021 -2.799 1.00 0.00 C ATOM 1253 C THR A 90 1.114 -6.072 -3.971 1.00 0.00 C ATOM 1254 O THR A 90 0.595 -6.291 -5.065 1.00 0.00 O ATOM 1255 CB THR A 90 1.977 -8.119 -2.835 1.00 0.00 C ATOM 1256 OG1 THR A 90 1.840 -8.902 -4.026 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.873 -9.021 -1.614 1.00 0.00 C ATOM 0 H THR A 90 -0.516 -8.471 -3.341 1.00 0.00 H new ATOM 0 HA THR A 90 0.985 -6.466 -1.865 1.00 0.00 H new ATOM 0 HB THR A 90 2.954 -7.637 -2.828 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.531 -9.597 -4.042 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.646 -9.788 -1.662 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.007 -8.427 -0.710 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.892 -9.495 -1.594 1.00 0.00 H new ATOM 1265 N GLY A 91 1.886 -5.015 -3.736 1.00 0.00 N ATOM 1266 CA GLY A 91 2.159 -4.048 -4.783 1.00 0.00 C ATOM 1267 C GLY A 91 3.326 -3.141 -4.446 1.00 0.00 C ATOM 1268 O GLY A 91 3.296 -2.426 -3.445 1.00 0.00 O ATOM 0 H GLY A 91 2.327 -4.811 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.370 -4.575 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.269 -3.442 -4.954 1.00 0.00 H new ATOM 1272 N ARG A 92 4.358 -3.172 -5.282 1.00 0.00 N ATOM 1273 CA ARG A 92 5.542 -2.349 -5.066 1.00 0.00 C ATOM 1274 C ARG A 92 5.464 -1.060 -5.878 1.00 0.00 C ATOM 1275 O ARG A 92 5.248 -1.089 -7.090 1.00 0.00 O ATOM 1276 CB ARG A 92 6.805 -3.126 -5.442 1.00 0.00 C ATOM 1277 CG ARG A 92 7.399 -3.918 -4.289 1.00 0.00 C ATOM 1278 CD ARG A 92 8.635 -4.691 -4.722 1.00 0.00 C ATOM 1279 NE ARG A 92 8.820 -5.910 -3.940 1.00 0.00 N ATOM 1280 CZ ARG A 92 9.953 -6.604 -3.917 1.00 0.00 C ATOM 1281 NH1 ARG A 92 10.996 -6.200 -4.629 1.00 0.00 N ATOM 1282 NH2 ARG A 92 10.044 -7.704 -3.180 1.00 0.00 N ATOM 0 H ARG A 92 4.398 -3.758 -6.116 1.00 0.00 H new ATOM 0 HA ARG A 92 5.585 -2.089 -4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.571 -3.809 -6.259 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.554 -2.427 -5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.659 -3.240 -3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.653 -4.611 -3.900 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.551 -4.947 -5.778 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.515 -4.056 -4.617 1.00 0.00 H new ATOM 0 HE ARG A 92 8.037 -6.247 -3.381 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.930 -5.355 -5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.865 -6.734 -4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.244 -8.017 -2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.914 -8.236 -3.163 1.00 0.00 H new ATOM 1296 N VAL A 93 5.641 0.071 -5.202 1.00 0.00 N ATOM 1297 CA VAL A 93 5.591 1.371 -5.861 1.00 0.00 C ATOM 1298 C VAL A 93 6.859 2.173 -5.590 1.00 0.00 C ATOM 1299 O VAL A 93 7.310 2.276 -4.449 1.00 0.00 O ATOM 1300 CB VAL A 93 4.371 2.188 -5.397 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.364 2.326 -3.883 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.361 3.555 -6.065 1.00 0.00 C ATOM 0 H VAL A 93 5.820 0.113 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 93 5.506 1.181 -6.931 1.00 0.00 H new ATOM 0 HB VAL A 93 3.466 1.657 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.494 2.906 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.320 1.337 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.273 2.834 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.492 4.119 -5.726 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.270 4.095 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.313 3.431 -7.147 1.00 0.00 H new ATOM 1312 N THR A 94 7.430 2.741 -6.647 1.00 0.00 N ATOM 1313 CA THR A 94 8.647 3.535 -6.525 1.00 0.00 C ATOM 1314 C THR A 94 8.326 5.021 -6.423 1.00 0.00 C ATOM 1315 O THR A 94 7.950 5.656 -7.409 1.00 0.00 O ATOM 1316 CB THR A 94 9.590 3.305 -7.721 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.905 1.913 -7.836 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.871 4.109 -7.561 1.00 0.00 C ATOM 0 H THR A 94 7.069 2.666 -7.598 1.00 0.00 H new ATOM 0 HA THR A 94 9.146 3.211 -5.612 1.00 0.00 H new ATOM 0 HB THR A 94 9.082 3.637 -8.626 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.504 1.775 -8.600 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.522 3.931 -8.417 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.630 5.170 -7.503 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.381 3.803 -6.648 1.00 0.00 H new ATOM 1326 N THR A 95 8.477 5.574 -5.223 1.00 0.00 N ATOM 1327 CA THR A 95 8.203 6.986 -4.992 1.00 0.00 C ATOM 1328 C THR A 95 8.977 7.864 -5.969 1.00 0.00 C ATOM 1329 O THR A 95 9.966 7.430 -6.560 1.00 0.00 O ATOM 1330 CB THR A 95 8.562 7.400 -3.553 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.868 6.918 -3.215 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.543 6.856 -2.563 1.00 0.00 C ATOM 0 H THR A 95 8.788 5.064 -4.396 1.00 0.00 H new ATOM 0 HA THR A 95 7.134 7.129 -5.148 1.00 0.00 H new ATOM 0 HB THR A 95 8.552 8.489 -3.499 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.025 7.045 -2.256 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.818 7.161 -1.553 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.555 7.249 -2.805 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.525 5.768 -2.621 1.00 0.00 H new ATOM 1340 N LYS A 96 8.522 9.101 -6.135 1.00 0.00 N ATOM 1341 CA LYS A 96 9.173 10.041 -7.039 1.00 0.00 C ATOM 1342 C LYS A 96 10.416 10.644 -6.395 1.00 0.00 C ATOM 1343 O LYS A 96 10.621 10.527 -5.186 1.00 0.00 O ATOM 1344 CB LYS A 96 8.200 11.155 -7.436 1.00 0.00 C ATOM 1345 CG LYS A 96 6.843 10.645 -7.887 1.00 0.00 C ATOM 1346 CD LYS A 96 6.169 11.618 -8.839 1.00 0.00 C ATOM 1347 CE LYS A 96 5.239 10.900 -9.805 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.212 11.817 -10.372 1.00 0.00 N ATOM 0 H LYS A 96 7.704 9.476 -5.655 1.00 0.00 H new ATOM 0 HA LYS A 96 9.477 9.496 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.063 11.826 -6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.643 11.744 -8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.961 9.678 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.206 10.486 -7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.604 12.355 -8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.927 12.164 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.823 10.464 -10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.745 10.076 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.598 11.289 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.637 12.214 -9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.682 12.589 -10.886 1.00 0.00 H new ATOM 1362 N LYS A 97 11.245 11.291 -7.208 1.00 0.00 N ATOM 1363 CA LYS A 97 12.467 11.915 -6.717 1.00 0.00 C ATOM 1364 C LYS A 97 12.157 13.214 -5.980 1.00 0.00 C ATOM 1365 O LYS A 97 11.397 14.049 -6.468 1.00 0.00 O ATOM 1366 CB LYS A 97 13.425 12.192 -7.879 1.00 0.00 C ATOM 1367 CG LYS A 97 14.360 11.035 -8.185 1.00 0.00 C ATOM 1368 CD LYS A 97 13.624 9.883 -8.848 1.00 0.00 C ATOM 1369 CE LYS A 97 13.519 10.081 -10.352 1.00 0.00 C ATOM 1370 NZ LYS A 97 12.546 9.137 -10.969 1.00 0.00 N ATOM 0 H LYS A 97 11.092 11.397 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 97 12.942 11.226 -6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.843 12.424 -8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.019 13.076 -7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.163 11.378 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.825 10.688 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.145 8.949 -8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.625 9.794 -8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.214 11.106 -10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.500 9.940 -10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.503 9.304 -11.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.850 8.159 -10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.604 9.288 -10.554 1.00 0.00 H new ATOM 1384 N ALA A 98 12.753 13.378 -4.803 1.00 0.00 N ATOM 1385 CA ALA A 98 12.542 14.576 -4.001 1.00 0.00 C ATOM 1386 C ALA A 98 13.375 15.741 -4.525 1.00 0.00 C ATOM 1387 O ALA A 98 14.499 15.569 -4.997 1.00 0.00 O ATOM 1388 CB ALA A 98 12.876 14.300 -2.542 1.00 0.00 C ATOM 0 H ALA A 98 13.386 12.696 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 98 11.490 14.853 -4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.714 15.204 -1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.234 13.503 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.919 13.996 -2.459 1.00 0.00 H new ATOM 1394 N PRO A 99 12.813 16.956 -4.442 1.00 0.00 N ATOM 1395 CA PRO A 99 13.488 18.173 -4.904 1.00 0.00 C ATOM 1396 C PRO A 99 14.670 18.552 -4.019 1.00 0.00 C ATOM 1397 O PRO A 99 14.499 18.885 -2.847 1.00 0.00 O ATOM 1398 CB PRO A 99 12.393 19.239 -4.818 1.00 0.00 C ATOM 1399 CG PRO A 99 11.453 18.735 -3.778 1.00 0.00 C ATOM 1400 CD PRO A 99 11.477 17.235 -3.891 1.00 0.00 C ATOM 0 HA PRO A 99 13.908 18.052 -5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.806 20.209 -4.541 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.890 19.368 -5.777 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.762 19.057 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.447 19.123 -3.940 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.334 16.757 -2.922 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.687 16.869 -4.547 1.00 0.00 H new ATOM 1408 N SER A 100 15.870 18.498 -4.588 1.00 0.00 N ATOM 1409 CA SER A 100 17.082 18.833 -3.849 1.00 0.00 C ATOM 1410 C SER A 100 17.525 20.262 -4.150 1.00 0.00 C ATOM 1411 O SER A 100 17.302 20.791 -5.239 1.00 0.00 O ATOM 1412 CB SER A 100 18.205 17.854 -4.199 1.00 0.00 C ATOM 1413 OG SER A 100 17.798 16.514 -3.985 1.00 0.00 O ATOM 0 H SER A 100 16.029 18.226 -5.558 1.00 0.00 H new ATOM 0 HA SER A 100 16.862 18.757 -2.784 1.00 0.00 H new ATOM 0 HB2 SER A 100 18.496 17.987 -5.241 1.00 0.00 H new ATOM 0 HB3 SER A 100 19.084 18.072 -3.592 1.00 0.00 H new ATOM 0 HG SER A 100 18.532 15.908 -4.217 1.00 0.00 H new ATOM 1419 N PRO A 101 18.168 20.902 -3.162 1.00 0.00 N ATOM 1420 CA PRO A 101 18.656 22.277 -3.296 1.00 0.00 C ATOM 1421 C PRO A 101 19.832 22.383 -4.262 1.00 0.00 C ATOM 1422 O PRO A 101 20.069 23.437 -4.852 1.00 0.00 O ATOM 1423 CB PRO A 101 19.097 22.637 -1.876 1.00 0.00 C ATOM 1424 CG PRO A 101 19.416 21.330 -1.235 1.00 0.00 C ATOM 1425 CD PRO A 101 18.467 20.331 -1.838 1.00 0.00 C ATOM 0 HA PRO A 101 17.894 22.942 -3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 101 19.966 23.295 -1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 101 18.307 23.160 -1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 101 20.452 21.046 -1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 101 19.290 21.385 -0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 101 18.921 19.343 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 101 17.565 20.219 -1.236 1.00 0.00 H new ATOM 1433 N SER A 102 20.564 21.285 -4.418 1.00 0.00 N ATOM 1434 CA SER A 102 21.717 21.256 -5.310 1.00 0.00 C ATOM 1435 C SER A 102 21.470 22.115 -6.547 1.00 0.00 C ATOM 1436 O SER A 102 20.350 22.183 -7.054 1.00 0.00 O ATOM 1437 CB SER A 102 22.029 19.817 -5.729 1.00 0.00 C ATOM 1438 OG SER A 102 22.567 19.077 -4.647 1.00 0.00 O ATOM 0 H SER A 102 20.379 20.404 -3.938 1.00 0.00 H new ATOM 0 HA SER A 102 22.572 21.664 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.120 19.334 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 102 22.736 19.821 -6.558 1.00 0.00 H new ATOM 0 HG SER A 102 22.756 18.161 -4.939 1.00 0.00 H new ATOM 1444 N SER A 103 22.523 22.769 -7.026 1.00 0.00 N ATOM 1445 CA SER A 103 22.420 23.627 -8.200 1.00 0.00 C ATOM 1446 C SER A 103 23.017 22.943 -9.427 1.00 0.00 C ATOM 1447 O SER A 103 24.149 22.461 -9.394 1.00 0.00 O ATOM 1448 CB SER A 103 23.131 24.958 -7.949 1.00 0.00 C ATOM 1449 OG SER A 103 22.669 25.959 -8.840 1.00 0.00 O ATOM 0 H SER A 103 23.457 22.721 -6.619 1.00 0.00 H new ATOM 0 HA SER A 103 21.363 23.817 -8.389 1.00 0.00 H new ATOM 0 HB2 SER A 103 22.962 25.276 -6.920 1.00 0.00 H new ATOM 0 HB3 SER A 103 24.206 24.828 -8.069 1.00 0.00 H new ATOM 0 HG SER A 103 23.137 26.800 -8.658 1.00 0.00 H new ATOM 1455 N GLY A 104 22.245 22.904 -10.509 1.00 0.00 N ATOM 1456 CA GLY A 104 22.713 22.277 -11.731 1.00 0.00 C ATOM 1457 C GLY A 104 21.694 22.356 -12.851 1.00 0.00 C ATOM 1458 O GLY A 104 20.704 23.083 -12.767 1.00 0.00 O ATOM 0 H GLY A 104 21.304 23.295 -10.561 1.00 0.00 H new ATOM 0 HA2 GLY A 104 23.638 22.757 -12.051 1.00 0.00 H new ATOM 0 HA3 GLY A 104 22.949 21.232 -11.532 1.00 0.00 H new ATOM 1462 N PRO A 105 21.933 21.596 -13.929 1.00 0.00 N ATOM 1463 CA PRO A 105 21.040 21.567 -15.091 1.00 0.00 C ATOM 1464 C PRO A 105 19.711 20.885 -14.784 1.00 0.00 C ATOM 1465 O PRO A 105 19.590 19.664 -14.885 1.00 0.00 O ATOM 1466 CB PRO A 105 21.829 20.759 -16.125 1.00 0.00 C ATOM 1467 CG PRO A 105 22.742 19.901 -15.319 1.00 0.00 C ATOM 1468 CD PRO A 105 23.094 20.705 -14.097 1.00 0.00 C ATOM 0 HA PRO A 105 20.774 22.570 -15.426 1.00 0.00 H new ATOM 0 HB2 PRO A 105 21.166 20.157 -16.747 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.388 21.412 -16.795 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.256 18.965 -15.044 1.00 0.00 H new ATOM 0 HG3 PRO A 105 23.636 19.641 -15.886 1.00 0.00 H new ATOM 0 HD2 PRO A 105 23.241 20.068 -13.225 1.00 0.00 H new ATOM 0 HD3 PRO A 105 24.016 21.269 -14.239 1.00 0.00 H new ATOM 1476 N SER A 106 18.716 21.682 -14.408 1.00 0.00 N ATOM 1477 CA SER A 106 17.396 21.154 -14.083 1.00 0.00 C ATOM 1478 C SER A 106 16.890 20.235 -15.191 1.00 0.00 C ATOM 1479 O SER A 106 17.306 20.347 -16.344 1.00 0.00 O ATOM 1480 CB SER A 106 16.405 22.300 -13.864 1.00 0.00 C ATOM 1481 OG SER A 106 15.383 21.923 -12.958 1.00 0.00 O ATOM 0 H SER A 106 18.799 22.695 -14.321 1.00 0.00 H new ATOM 0 HA SER A 106 17.480 20.574 -13.164 1.00 0.00 H new ATOM 0 HB2 SER A 106 16.933 23.173 -13.480 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.962 22.589 -14.817 1.00 0.00 H new ATOM 0 HG SER A 106 14.764 22.672 -12.833 1.00 0.00 H new ATOM 1487 N SER A 107 15.989 19.326 -14.831 1.00 0.00 N ATOM 1488 CA SER A 107 15.428 18.384 -15.792 1.00 0.00 C ATOM 1489 C SER A 107 14.620 19.114 -16.861 1.00 0.00 C ATOM 1490 O SER A 107 14.212 20.259 -16.672 1.00 0.00 O ATOM 1491 CB SER A 107 14.543 17.360 -15.079 1.00 0.00 C ATOM 1492 OG SER A 107 15.302 16.564 -14.186 1.00 0.00 O ATOM 0 H SER A 107 15.632 19.222 -13.881 1.00 0.00 H new ATOM 0 HA SER A 107 16.254 17.864 -16.277 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.754 17.875 -14.531 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.055 16.721 -15.815 1.00 0.00 H new ATOM 0 HG SER A 107 14.713 15.919 -13.742 1.00 0.00 H new ATOM 1498 N GLY A 108 14.394 18.442 -17.986 1.00 0.00 N ATOM 1499 CA GLY A 108 13.636 19.041 -19.069 1.00 0.00 C ATOM 1500 C GLY A 108 12.271 19.526 -18.622 1.00 0.00 C ATOM 1501 O GLY A 108 12.035 20.730 -18.524 1.00 0.00 O ATOM 0 H GLY A 108 14.722 17.493 -18.167 1.00 0.00 H new ATOM 0 HA2 GLY A 108 14.198 19.878 -19.482 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.515 18.312 -19.870 1.00 0.00 H new TER 1505 GLY A 108