USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 785 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 24 MET CE :methyl -123:sc= -7.1! (180deg=-17.1!) USER MOD Set 1.2: A 48 TYR OH : rot 75:sc= 0.436 USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= -0.423 (180deg=-1.62!) USER MOD Single : A 16 GLN : amide:sc= -0.032 K(o=-0.032,f=-1.2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.568 K(o=-0.57,f=-1.6) USER MOD Single : A 23 SER OG : rot -22:sc= -1.69! USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 145:sc=-0.00712 (180deg=-0.573) USER MOD Single : A 40 THR OG1 : rot -170:sc= -1.69! USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 45 GLN : amide:sc= -0.442 K(o=-0.44,f=-4!) USER MOD Single : A 51 SER OG : rot 9:sc= -0.649 USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= -0.128 (180deg=-1.6) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 91:sc= 0.0828 USER MOD Single : A 66 GLN : amide:sc= -0.041 X(o=-0.041,f=-0.46) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 120:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.019) USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0228) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0632 USER MOD Single : A 102 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0329) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.054 X(o=-0.054,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -13.545 12.724 -4.722 1.00 0.00 N ATOM 2 CA ALA A 8 -12.252 12.953 -4.087 1.00 0.00 C ATOM 3 C ALA A 8 -11.534 11.636 -3.813 1.00 0.00 C ATOM 4 O ALA A 8 -12.084 10.559 -4.044 1.00 0.00 O ATOM 5 CB ALA A 8 -12.427 13.740 -2.798 1.00 0.00 C ATOM 0 HA ALA A 8 -11.637 13.536 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.453 13.903 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.889 14.702 -3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.064 13.180 -2.114 1.00 0.00 H new ATOM 11 N ASP A 9 -10.304 11.730 -3.320 1.00 0.00 N ATOM 12 CA ASP A 9 -9.510 10.545 -3.015 1.00 0.00 C ATOM 13 C ASP A 9 -9.425 10.316 -1.509 1.00 0.00 C ATOM 14 O ASP A 9 -8.942 11.172 -0.768 1.00 0.00 O ATOM 15 CB ASP A 9 -8.104 10.684 -3.602 1.00 0.00 C ATOM 16 CG ASP A 9 -8.122 10.895 -5.103 1.00 0.00 C ATOM 17 OD1 ASP A 9 -8.123 9.889 -5.844 1.00 0.00 O ATOM 18 OD2 ASP A 9 -8.133 12.065 -5.539 1.00 0.00 O ATOM 0 H ASP A 9 -9.835 12.614 -3.123 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.002 9.683 -3.466 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.596 11.523 -3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.527 9.789 -3.371 1.00 0.00 H new ATOM 23 N ARG A 10 -9.895 9.155 -1.065 1.00 0.00 N ATOM 24 CA ARG A 10 -9.871 8.812 0.352 1.00 0.00 C ATOM 25 C ARG A 10 -9.236 7.442 0.565 1.00 0.00 C ATOM 26 O ARG A 10 -9.296 6.576 -0.309 1.00 0.00 O ATOM 27 CB ARG A 10 -11.288 8.823 0.928 1.00 0.00 C ATOM 28 CG ARG A 10 -12.122 10.014 0.479 1.00 0.00 C ATOM 29 CD ARG A 10 -13.418 9.576 -0.187 1.00 0.00 C ATOM 30 NE ARG A 10 -14.570 10.321 0.316 1.00 0.00 N ATOM 31 CZ ARG A 10 -15.831 9.920 0.175 1.00 0.00 C ATOM 32 NH1 ARG A 10 -16.107 8.781 -0.451 1.00 0.00 N ATOM 33 NH2 ARG A 10 -16.821 10.657 0.662 1.00 0.00 N ATOM 0 H ARG A 10 -10.297 8.436 -1.666 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.271 9.559 0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.796 7.904 0.636 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.228 8.822 2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.350 10.643 1.339 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.543 10.622 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.337 9.717 -1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.572 8.511 -0.015 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.397 11.200 0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.350 8.209 -0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.075 8.479 -0.556 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.616 11.532 1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.787 10.349 0.553 1.00 0.00 H new ATOM 47 N LYS A 11 -8.624 7.251 1.729 1.00 0.00 N ATOM 48 CA LYS A 11 -7.977 5.983 2.049 1.00 0.00 C ATOM 49 C LYS A 11 -8.075 5.687 3.542 1.00 0.00 C ATOM 50 O LYS A 11 -8.030 6.595 4.368 1.00 0.00 O ATOM 51 CB LYS A 11 -6.509 6.014 1.617 1.00 0.00 C ATOM 52 CG LYS A 11 -5.753 4.734 1.933 1.00 0.00 C ATOM 53 CD LYS A 11 -4.874 4.895 3.164 1.00 0.00 C ATOM 54 CE LYS A 11 -3.597 5.653 2.840 1.00 0.00 C ATOM 55 NZ LYS A 11 -3.727 7.108 3.126 1.00 0.00 N ATOM 0 H LYS A 11 -8.562 7.955 2.464 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.491 5.191 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.459 6.200 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.012 6.850 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.462 3.922 2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.137 4.454 1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.426 5.425 3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.624 3.913 3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.773 5.241 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.347 5.511 1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.798 7.494 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.079 7.598 2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.395 7.249 3.910 1.00 0.00 H new ATOM 69 N LEU A 12 -8.228 4.411 3.881 1.00 0.00 N ATOM 70 CA LEU A 12 -8.356 4.004 5.267 1.00 0.00 C ATOM 71 C LEU A 12 -7.023 3.742 5.917 1.00 0.00 C ATOM 72 O LEU A 12 -6.101 3.185 5.320 1.00 0.00 O ATOM 73 CB LEU A 12 -9.230 2.769 5.361 1.00 0.00 C ATOM 74 CG LEU A 12 -10.668 3.067 5.011 1.00 0.00 C ATOM 75 CD1 LEU A 12 -11.076 2.358 3.727 1.00 0.00 C ATOM 76 CD2 LEU A 12 -11.600 2.703 6.156 1.00 0.00 C ATOM 0 H LEU A 12 -8.266 3.643 3.210 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.819 4.830 5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.845 2.001 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.179 2.365 6.372 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.753 4.141 4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.116 2.590 3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.441 2.695 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.964 1.281 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.628 2.929 5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.509 1.639 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.331 3.280 7.041 1.00 0.00 H new ATOM 88 N CYS A 13 -6.953 4.167 7.159 1.00 0.00 N ATOM 89 CA CYS A 13 -5.746 4.016 7.962 1.00 0.00 C ATOM 90 C CYS A 13 -6.067 3.431 9.335 1.00 0.00 C ATOM 91 O CYS A 13 -7.175 3.589 9.846 1.00 0.00 O ATOM 92 CB CYS A 13 -5.044 5.366 8.120 1.00 0.00 C ATOM 93 SG CYS A 13 -3.304 5.366 7.580 1.00 0.00 S ATOM 0 H CYS A 13 -7.724 4.626 7.645 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.081 3.325 7.444 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.591 6.117 7.549 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.089 5.666 9.167 1.00 0.00 H new ATOM 98 N ALA A 14 -5.085 2.754 9.922 1.00 0.00 N ATOM 99 CA ALA A 14 -5.249 2.143 11.234 1.00 0.00 C ATOM 100 C ALA A 14 -5.370 3.204 12.325 1.00 0.00 C ATOM 101 O ALA A 14 -4.485 3.346 13.169 1.00 0.00 O ATOM 102 CB ALA A 14 -4.083 1.210 11.527 1.00 0.00 C ATOM 0 H ALA A 14 -4.164 2.615 9.507 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.172 1.564 11.227 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.216 0.759 12.510 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.045 0.426 10.770 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.151 1.776 11.510 1.00 0.00 H new ATOM 108 N ASP A 15 -6.472 3.945 12.301 1.00 0.00 N ATOM 109 CA ASP A 15 -6.715 4.994 13.287 1.00 0.00 C ATOM 110 C ASP A 15 -5.677 6.105 13.168 1.00 0.00 C ATOM 111 O ASP A 15 -4.811 6.067 12.295 1.00 0.00 O ATOM 112 CB ASP A 15 -6.697 4.410 14.701 1.00 0.00 C ATOM 113 CG ASP A 15 -8.088 4.084 15.208 1.00 0.00 C ATOM 114 OD1 ASP A 15 -8.737 4.984 15.783 1.00 0.00 O ATOM 115 OD2 ASP A 15 -8.530 2.930 15.030 1.00 0.00 O ATOM 0 H ASP A 15 -7.213 3.839 11.608 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.699 5.420 13.091 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.088 3.506 14.710 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.223 5.120 15.379 1.00 0.00 H new ATOM 120 N GLN A 16 -5.774 7.093 14.050 1.00 0.00 N ATOM 121 CA GLN A 16 -4.845 8.217 14.046 1.00 0.00 C ATOM 122 C GLN A 16 -3.425 7.749 14.349 1.00 0.00 C ATOM 123 O GLN A 16 -2.952 7.862 15.480 1.00 0.00 O ATOM 124 CB GLN A 16 -5.279 9.268 15.070 1.00 0.00 C ATOM 125 CG GLN A 16 -6.387 10.181 14.572 1.00 0.00 C ATOM 126 CD GLN A 16 -5.874 11.275 13.657 1.00 0.00 C ATOM 127 OE1 GLN A 16 -4.743 11.740 13.800 1.00 0.00 O ATOM 128 NE2 GLN A 16 -6.706 11.694 12.712 1.00 0.00 N ATOM 0 H GLN A 16 -6.487 7.139 14.778 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.857 8.663 13.052 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.615 8.764 15.976 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.416 9.874 15.344 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.131 9.587 14.041 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.891 10.633 15.426 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.635 11.280 12.630 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.417 12.430 12.068 1.00 0.00 H new ATOM 137 N GLU A 17 -2.753 7.224 13.330 1.00 0.00 N ATOM 138 CA GLU A 17 -1.388 6.739 13.486 1.00 0.00 C ATOM 139 C GLU A 17 -0.769 6.417 12.129 1.00 0.00 C ATOM 140 O GLU A 17 0.336 6.864 11.818 1.00 0.00 O ATOM 141 CB GLU A 17 -1.363 5.500 14.385 1.00 0.00 C ATOM 142 CG GLU A 17 -0.758 5.755 15.755 1.00 0.00 C ATOM 143 CD GLU A 17 -0.996 4.610 16.720 1.00 0.00 C ATOM 144 OE1 GLU A 17 -0.726 3.451 16.343 1.00 0.00 O ATOM 145 OE2 GLU A 17 -1.453 4.873 17.852 1.00 0.00 O ATOM 0 H GLU A 17 -3.132 7.124 12.388 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.798 7.527 13.955 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.381 5.131 14.510 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.797 4.712 13.888 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.314 5.919 15.650 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.181 6.669 16.171 1.00 0.00 H new ATOM 152 N CYS A 18 -1.488 5.639 11.324 1.00 0.00 N ATOM 153 CA CYS A 18 -1.006 5.258 10.000 1.00 0.00 C ATOM 154 C CYS A 18 0.362 4.586 10.083 1.00 0.00 C ATOM 155 O CYS A 18 1.126 4.593 9.117 1.00 0.00 O ATOM 156 CB CYS A 18 -0.926 6.486 9.092 1.00 0.00 C ATOM 157 SG CYS A 18 -2.535 7.037 8.438 1.00 0.00 S ATOM 0 H CYS A 18 -2.404 5.261 11.565 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.714 4.544 9.579 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.472 7.306 9.648 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.264 6.263 8.256 1.00 0.00 H new ATOM 162 N SER A 19 0.669 4.011 11.242 1.00 0.00 N ATOM 163 CA SER A 19 1.947 3.339 11.445 1.00 0.00 C ATOM 164 C SER A 19 1.756 1.836 11.622 1.00 0.00 C ATOM 165 O SER A 19 2.623 1.044 11.256 1.00 0.00 O ATOM 166 CB SER A 19 2.662 3.921 12.666 1.00 0.00 C ATOM 167 OG SER A 19 2.028 3.518 13.868 1.00 0.00 O ATOM 0 H SER A 19 0.051 3.997 12.053 1.00 0.00 H new ATOM 0 HA SER A 19 2.559 3.504 10.558 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.702 3.594 12.672 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.670 5.009 12.602 1.00 0.00 H new ATOM 0 HG SER A 19 2.505 3.901 14.634 1.00 0.00 H new ATOM 173 N HIS A 20 0.617 1.451 12.188 1.00 0.00 N ATOM 174 CA HIS A 20 0.315 0.043 12.413 1.00 0.00 C ATOM 175 C HIS A 20 0.001 -0.667 11.098 1.00 0.00 C ATOM 176 O HIS A 20 -0.584 -0.076 10.189 1.00 0.00 O ATOM 177 CB HIS A 20 -0.864 -0.099 13.379 1.00 0.00 C ATOM 178 CG HIS A 20 -0.473 -0.617 14.728 1.00 0.00 C ATOM 179 ND1 HIS A 20 -0.496 -1.957 15.055 1.00 0.00 N ATOM 180 CD2 HIS A 20 -0.045 0.031 15.837 1.00 0.00 C ATOM 181 CE1 HIS A 20 -0.101 -2.110 16.307 1.00 0.00 C ATOM 182 NE2 HIS A 20 0.180 -0.919 16.803 1.00 0.00 N ATOM 0 H HIS A 20 -0.111 2.094 12.499 1.00 0.00 H new ATOM 0 HA HIS A 20 1.196 -0.425 12.853 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.345 0.872 13.497 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.603 -0.770 12.941 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.094 1.097 15.942 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.022 -3.049 16.834 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.511 -0.734 17.750 1.00 0.00 H new ATOM 191 N PRO A 21 0.388 -1.949 10.977 1.00 0.00 N ATOM 192 CA PRO A 21 0.146 -2.737 9.767 1.00 0.00 C ATOM 193 C PRO A 21 -1.302 -3.203 9.657 1.00 0.00 C ATOM 194 O PRO A 21 -1.938 -3.525 10.661 1.00 0.00 O ATOM 195 CB PRO A 21 1.079 -3.932 9.940 1.00 0.00 C ATOM 196 CG PRO A 21 1.188 -4.111 11.414 1.00 0.00 C ATOM 197 CD PRO A 21 1.092 -2.732 12.013 1.00 0.00 C ATOM 0 HA PRO A 21 0.327 -2.161 8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.675 -4.824 9.461 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.054 -3.743 9.490 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.391 -4.754 11.788 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.132 -4.586 11.680 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.540 -2.741 12.953 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.078 -2.319 12.227 1.00 0.00 H new ATOM 205 N ILE A 22 -1.817 -3.236 8.433 1.00 0.00 N ATOM 206 CA ILE A 22 -3.190 -3.665 8.192 1.00 0.00 C ATOM 207 C ILE A 22 -3.309 -5.178 8.271 1.00 0.00 C ATOM 208 O ILE A 22 -4.192 -5.714 8.939 1.00 0.00 O ATOM 209 CB ILE A 22 -3.698 -3.183 6.807 1.00 0.00 C ATOM 210 CG1 ILE A 22 -5.155 -2.726 6.910 1.00 0.00 C ATOM 211 CG2 ILE A 22 -3.553 -4.266 5.732 1.00 0.00 C ATOM 212 CD1 ILE A 22 -5.330 -1.433 7.676 1.00 0.00 C ATOM 0 H ILE A 22 -1.304 -2.971 7.592 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.807 -3.215 8.970 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.076 -2.340 6.504 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.560 -2.602 5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.739 -3.508 7.395 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.921 -3.885 4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.503 -4.541 5.632 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.132 -5.144 6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.387 -1.170 7.709 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.955 -1.558 8.692 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.774 -0.638 7.180 1.00 0.00 H new ATOM 224 N SER A 23 -2.423 -5.853 7.558 1.00 0.00 N ATOM 225 CA SER A 23 -2.421 -7.302 7.502 1.00 0.00 C ATOM 226 C SER A 23 -1.146 -7.802 6.846 1.00 0.00 C ATOM 227 O SER A 23 -0.201 -7.045 6.624 1.00 0.00 O ATOM 228 CB SER A 23 -3.638 -7.796 6.712 1.00 0.00 C ATOM 229 OG SER A 23 -4.844 -7.286 7.252 1.00 0.00 O ATOM 0 H SER A 23 -1.688 -5.413 7.004 1.00 0.00 H new ATOM 0 HA SER A 23 -2.470 -7.691 8.519 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.546 -7.491 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.664 -8.886 6.724 1.00 0.00 H new ATOM 0 HG SER A 23 -4.701 -7.028 8.187 1.00 0.00 H new ATOM 235 N MET A 24 -1.138 -9.082 6.533 1.00 0.00 N ATOM 236 CA MET A 24 0.012 -9.709 5.889 1.00 0.00 C ATOM 237 C MET A 24 -0.391 -10.350 4.566 1.00 0.00 C ATOM 238 O MET A 24 -1.431 -11.002 4.474 1.00 0.00 O ATOM 239 CB MET A 24 0.631 -10.765 6.807 1.00 0.00 C ATOM 240 CG MET A 24 2.135 -10.906 6.640 1.00 0.00 C ATOM 241 SD MET A 24 2.840 -12.165 7.720 1.00 0.00 S ATOM 242 CE MET A 24 4.590 -11.843 7.520 1.00 0.00 C ATOM 0 H MET A 24 -1.916 -9.716 6.713 1.00 0.00 H new ATOM 0 HA MET A 24 0.751 -8.932 5.691 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.411 -10.508 7.843 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.160 -11.728 6.610 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.359 -11.156 5.603 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.611 -9.948 6.847 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.089 -12.747 7.172 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.732 -11.046 6.790 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.016 -11.539 8.476 1.00 0.00 H new ATOM 252 N ALA A 25 0.436 -10.161 3.542 1.00 0.00 N ATOM 253 CA ALA A 25 0.153 -10.728 2.229 1.00 0.00 C ATOM 254 C ALA A 25 1.429 -11.087 1.486 1.00 0.00 C ATOM 255 O ALA A 25 2.379 -10.310 1.449 1.00 0.00 O ATOM 256 CB ALA A 25 -0.691 -9.766 1.405 1.00 0.00 C ATOM 0 H ALA A 25 1.301 -9.624 3.596 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.410 -11.649 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.893 -10.205 0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.633 -9.576 1.919 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.152 -8.827 1.277 1.00 0.00 H new ATOM 262 N VAL A 26 1.437 -12.278 0.895 1.00 0.00 N ATOM 263 CA VAL A 26 2.594 -12.757 0.150 1.00 0.00 C ATOM 264 C VAL A 26 2.381 -12.617 -1.354 1.00 0.00 C ATOM 265 O VAL A 26 1.250 -12.641 -1.836 1.00 0.00 O ATOM 266 CB VAL A 26 2.897 -14.230 0.480 1.00 0.00 C ATOM 267 CG1 VAL A 26 4.195 -14.676 -0.176 1.00 0.00 C ATOM 268 CG2 VAL A 26 2.955 -14.437 1.987 1.00 0.00 C ATOM 0 H VAL A 26 0.653 -12.930 0.918 1.00 0.00 H new ATOM 0 HA VAL A 26 3.441 -12.140 0.449 1.00 0.00 H new ATOM 0 HB VAL A 26 2.090 -14.843 0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.388 -15.720 0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.112 -14.569 -1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.017 -14.059 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.170 -15.484 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.740 -13.811 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.996 -14.165 2.429 1.00 0.00 H new ATOM 278 N ALA A 27 3.478 -12.473 -2.088 1.00 0.00 N ATOM 279 CA ALA A 27 3.419 -12.331 -3.537 1.00 0.00 C ATOM 280 C ALA A 27 2.827 -13.575 -4.187 1.00 0.00 C ATOM 281 O ALA A 27 3.285 -14.692 -3.948 1.00 0.00 O ATOM 282 CB ALA A 27 4.807 -12.053 -4.093 1.00 0.00 C ATOM 0 H ALA A 27 4.422 -12.452 -1.702 1.00 0.00 H new ATOM 0 HA ALA A 27 2.768 -11.488 -3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.751 -11.949 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.195 -11.131 -3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.472 -12.880 -3.842 1.00 0.00 H new ATOM 288 N LEU A 28 1.806 -13.374 -5.013 1.00 0.00 N ATOM 289 CA LEU A 28 1.151 -14.479 -5.700 1.00 0.00 C ATOM 290 C LEU A 28 1.793 -14.744 -7.062 1.00 0.00 C ATOM 291 O LEU A 28 1.359 -15.633 -7.793 1.00 0.00 O ATOM 292 CB LEU A 28 -0.339 -14.183 -5.878 1.00 0.00 C ATOM 293 CG LEU A 28 -1.211 -15.403 -6.182 1.00 0.00 C ATOM 294 CD1 LEU A 28 -1.736 -16.019 -4.894 1.00 0.00 C ATOM 295 CD2 LEU A 28 -2.362 -15.018 -7.100 1.00 0.00 C ATOM 0 H LEU A 28 1.415 -12.456 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 28 1.271 -15.372 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.710 -13.708 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.456 -13.461 -6.686 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.598 -16.147 -6.692 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.354 -16.885 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.897 -16.331 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.333 -15.283 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.972 -15.897 -7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.974 -14.257 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.965 -14.624 -8.036 1.00 0.00 H new ATOM 307 N GLN A 29 2.833 -13.972 -7.394 1.00 0.00 N ATOM 308 CA GLN A 29 3.540 -14.124 -8.660 1.00 0.00 C ATOM 309 C GLN A 29 4.439 -12.924 -8.930 1.00 0.00 C ATOM 310 O GLN A 29 4.434 -11.945 -8.183 1.00 0.00 O ATOM 311 CB GLN A 29 2.562 -14.302 -9.826 1.00 0.00 C ATOM 312 CG GLN A 29 1.443 -13.273 -9.846 1.00 0.00 C ATOM 313 CD GLN A 29 0.377 -13.590 -10.876 1.00 0.00 C ATOM 314 OE1 GLN A 29 -0.441 -14.490 -10.683 1.00 0.00 O ATOM 315 NE2 GLN A 29 0.381 -12.850 -11.978 1.00 0.00 N ATOM 0 H GLN A 29 3.202 -13.233 -6.796 1.00 0.00 H new ATOM 0 HA GLN A 29 4.156 -15.020 -8.579 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.114 -14.244 -10.764 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.126 -15.300 -9.774 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.985 -13.221 -8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.863 -12.289 -10.054 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.078 -12.114 -12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.313 -13.017 -12.707 1.00 0.00 H new ATOM 324 N ASP A 30 5.207 -13.012 -10.008 1.00 0.00 N ATOM 325 CA ASP A 30 6.117 -11.941 -10.395 1.00 0.00 C ATOM 326 C ASP A 30 5.348 -10.759 -10.973 1.00 0.00 C ATOM 327 O ASP A 30 4.392 -10.937 -11.728 1.00 0.00 O ATOM 328 CB ASP A 30 7.134 -12.453 -11.419 1.00 0.00 C ATOM 329 CG ASP A 30 8.336 -11.539 -11.547 1.00 0.00 C ATOM 330 OD1 ASP A 30 8.586 -10.752 -10.611 1.00 0.00 O ATOM 331 OD2 ASP A 30 9.027 -11.610 -12.585 1.00 0.00 O ATOM 0 H ASP A 30 5.218 -13.818 -10.633 1.00 0.00 H new ATOM 0 HA ASP A 30 6.647 -11.606 -9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.468 -13.449 -11.128 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.650 -12.550 -12.391 1.00 0.00 H new ATOM 336 N TYR A 31 5.767 -9.550 -10.612 1.00 0.00 N ATOM 337 CA TYR A 31 5.111 -8.342 -11.096 1.00 0.00 C ATOM 338 C TYR A 31 6.017 -7.122 -10.941 1.00 0.00 C ATOM 339 O TYR A 31 5.965 -6.423 -9.929 1.00 0.00 O ATOM 340 CB TYR A 31 3.797 -8.122 -10.343 1.00 0.00 C ATOM 341 CG TYR A 31 3.119 -6.807 -10.662 1.00 0.00 C ATOM 342 CD1 TYR A 31 2.865 -6.435 -11.976 1.00 0.00 C ATOM 343 CD2 TYR A 31 2.734 -5.941 -9.648 1.00 0.00 C ATOM 344 CE1 TYR A 31 2.247 -5.234 -12.269 1.00 0.00 C ATOM 345 CE2 TYR A 31 2.115 -4.740 -9.932 1.00 0.00 C ATOM 346 CZ TYR A 31 1.874 -4.390 -11.244 1.00 0.00 C ATOM 347 OH TYR A 31 1.258 -3.194 -11.531 1.00 0.00 O ATOM 0 H TYR A 31 6.556 -9.382 -9.988 1.00 0.00 H new ATOM 0 HA TYR A 31 4.899 -8.472 -12.157 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.114 -8.938 -10.579 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.992 -8.168 -9.272 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.155 -7.094 -12.781 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.922 -6.211 -8.619 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.057 -4.958 -13.296 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.821 -4.078 -9.131 1.00 0.00 H new ATOM 0 HH TYR A 31 1.060 -2.720 -10.697 1.00 0.00 H new ATOM 357 N MET A 32 6.851 -6.878 -11.945 1.00 0.00 N ATOM 358 CA MET A 32 7.765 -5.763 -11.926 1.00 0.00 C ATOM 359 C MET A 32 7.012 -4.437 -11.941 1.00 0.00 C ATOM 360 O MET A 32 6.030 -4.281 -12.667 1.00 0.00 O ATOM 361 CB MET A 32 8.720 -5.836 -13.118 1.00 0.00 C ATOM 362 CG MET A 32 9.986 -6.631 -12.839 1.00 0.00 C ATOM 363 SD MET A 32 11.475 -5.616 -12.891 1.00 0.00 S ATOM 364 CE MET A 32 12.433 -6.350 -11.568 1.00 0.00 C ATOM 0 H MET A 32 6.906 -7.450 -12.788 1.00 0.00 H new ATOM 0 HA MET A 32 8.343 -5.819 -11.004 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.198 -6.285 -13.963 1.00 0.00 H new ATOM 0 HB3 MET A 32 8.995 -4.824 -13.414 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.906 -7.100 -11.858 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.074 -7.434 -13.571 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.491 -6.325 -11.828 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.272 -5.789 -10.648 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.119 -7.384 -11.422 1.00 0.00 H new ATOM 374 N ALA A 33 7.473 -3.491 -11.124 1.00 0.00 N ATOM 375 CA ALA A 33 6.854 -2.180 -11.020 1.00 0.00 C ATOM 376 C ALA A 33 6.385 -1.655 -12.378 1.00 0.00 C ATOM 377 O ALA A 33 6.952 -1.999 -13.415 1.00 0.00 O ATOM 378 CB ALA A 33 7.821 -1.195 -10.380 1.00 0.00 C ATOM 0 H ALA A 33 8.284 -3.616 -10.519 1.00 0.00 H new ATOM 0 HA ALA A 33 5.971 -2.284 -10.390 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.348 -0.216 -10.307 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.089 -1.544 -9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.720 -1.118 -10.991 1.00 0.00 H new ATOM 384 N PRO A 34 5.339 -0.812 -12.386 1.00 0.00 N ATOM 385 CA PRO A 34 4.795 -0.240 -13.621 1.00 0.00 C ATOM 386 C PRO A 34 5.732 0.789 -14.244 1.00 0.00 C ATOM 387 O PRO A 34 5.886 0.844 -15.464 1.00 0.00 O ATOM 388 CB PRO A 34 3.497 0.427 -13.162 1.00 0.00 C ATOM 389 CG PRO A 34 3.724 0.746 -11.726 1.00 0.00 C ATOM 390 CD PRO A 34 4.604 -0.350 -11.192 1.00 0.00 C ATOM 0 HA PRO A 34 4.651 -0.997 -14.392 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.289 1.328 -13.740 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.643 -0.238 -13.290 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.201 1.719 -11.613 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.780 0.789 -11.182 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.281 0.018 -10.421 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.018 -1.153 -10.745 1.00 0.00 H new ATOM 398 N ASP A 35 6.356 1.603 -13.398 1.00 0.00 N ATOM 399 CA ASP A 35 7.279 2.630 -13.868 1.00 0.00 C ATOM 400 C ASP A 35 7.940 3.348 -12.695 1.00 0.00 C ATOM 401 O ASP A 35 7.583 3.128 -11.538 1.00 0.00 O ATOM 402 CB ASP A 35 6.543 3.639 -14.750 1.00 0.00 C ATOM 403 CG ASP A 35 5.296 4.187 -14.085 1.00 0.00 C ATOM 404 OD1 ASP A 35 4.217 3.581 -14.254 1.00 0.00 O ATOM 405 OD2 ASP A 35 5.397 5.224 -13.394 1.00 0.00 O ATOM 0 H ASP A 35 6.239 1.571 -12.385 1.00 0.00 H new ATOM 0 HA ASP A 35 8.057 2.143 -14.455 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.214 4.463 -14.992 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.270 3.163 -15.692 1.00 0.00 H new ATOM 410 N CYS A 36 8.903 4.210 -13.005 1.00 0.00 N ATOM 411 CA CYS A 36 9.615 4.965 -11.979 1.00 0.00 C ATOM 412 C CYS A 36 10.354 4.032 -11.022 1.00 0.00 C ATOM 413 O CYS A 36 10.658 4.406 -9.889 1.00 0.00 O ATOM 414 CB CYS A 36 8.640 5.848 -11.198 1.00 0.00 C ATOM 415 SG CYS A 36 7.701 7.016 -12.236 1.00 0.00 S ATOM 0 H CYS A 36 9.209 4.403 -13.959 1.00 0.00 H new ATOM 0 HA CYS A 36 10.350 5.597 -12.477 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.938 5.210 -10.661 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.196 6.411 -10.448 1.00 0.00 H new ATOM 420 N ARG A 37 10.645 2.818 -11.484 1.00 0.00 N ATOM 421 CA ARG A 37 11.351 1.836 -10.667 1.00 0.00 C ATOM 422 C ARG A 37 10.656 1.638 -9.321 1.00 0.00 C ATOM 423 O ARG A 37 11.284 1.727 -8.266 1.00 0.00 O ATOM 424 CB ARG A 37 12.801 2.274 -10.449 1.00 0.00 C ATOM 425 CG ARG A 37 13.702 1.163 -9.935 1.00 0.00 C ATOM 426 CD ARG A 37 14.865 1.716 -9.129 1.00 0.00 C ATOM 427 NE ARG A 37 14.412 2.459 -7.955 1.00 0.00 N ATOM 428 CZ ARG A 37 15.232 3.015 -7.067 1.00 0.00 C ATOM 429 NH1 ARG A 37 16.548 2.916 -7.215 1.00 0.00 N ATOM 430 NH2 ARG A 37 14.737 3.673 -6.028 1.00 0.00 N ATOM 0 H ARG A 37 10.403 2.492 -12.419 1.00 0.00 H new ATOM 0 HA ARG A 37 11.341 0.885 -11.199 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.203 2.651 -11.389 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.819 3.102 -9.740 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.121 0.480 -9.315 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.084 0.584 -10.776 1.00 0.00 H new ATOM 0 HD2 ARG A 37 15.510 0.896 -8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 37 15.467 2.369 -9.761 1.00 0.00 H new ATOM 0 HE ARG A 37 13.407 2.557 -7.808 1.00 0.00 H new ATOM 0 HH11 ARG A 37 16.935 2.412 -8.013 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.172 3.344 -6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.727 3.753 -5.909 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.366 4.099 -5.347 1.00 0.00 H new ATOM 444 N PHE A 38 9.355 1.369 -9.367 1.00 0.00 N ATOM 445 CA PHE A 38 8.576 1.159 -8.152 1.00 0.00 C ATOM 446 C PHE A 38 8.959 -0.156 -7.479 1.00 0.00 C ATOM 447 O PHE A 38 9.982 -0.757 -7.807 1.00 0.00 O ATOM 448 CB PHE A 38 7.079 1.172 -8.475 1.00 0.00 C ATOM 449 CG PHE A 38 6.326 2.270 -7.781 1.00 0.00 C ATOM 450 CD1 PHE A 38 6.489 2.490 -6.422 1.00 0.00 C ATOM 451 CD2 PHE A 38 5.454 3.083 -8.487 1.00 0.00 C ATOM 452 CE1 PHE A 38 5.797 3.499 -5.782 1.00 0.00 C ATOM 453 CE2 PHE A 38 4.759 4.095 -7.852 1.00 0.00 C ATOM 454 CZ PHE A 38 4.931 4.303 -6.497 1.00 0.00 C ATOM 0 H PHE A 38 8.819 1.291 -10.231 1.00 0.00 H new ATOM 0 HA PHE A 38 8.797 1.972 -7.461 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.949 1.277 -9.552 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.646 0.212 -8.194 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.165 1.865 -5.857 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.316 2.924 -9.546 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.933 3.659 -4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.083 4.722 -8.414 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.389 5.093 -5.998 1.00 0.00 H new ATOM 464 N LEU A 39 8.130 -0.598 -6.539 1.00 0.00 N ATOM 465 CA LEU A 39 8.381 -1.842 -5.820 1.00 0.00 C ATOM 466 C LEU A 39 7.715 -3.021 -6.521 1.00 0.00 C ATOM 467 O LEU A 39 6.488 -3.099 -6.596 1.00 0.00 O ATOM 468 CB LEU A 39 7.870 -1.734 -4.382 1.00 0.00 C ATOM 469 CG LEU A 39 8.450 -2.763 -3.410 1.00 0.00 C ATOM 470 CD1 LEU A 39 8.595 -2.161 -2.020 1.00 0.00 C ATOM 471 CD2 LEU A 39 7.572 -4.005 -3.366 1.00 0.00 C ATOM 0 H LEU A 39 7.278 -0.113 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 39 9.457 -2.014 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.094 -0.736 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.785 -1.835 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 39 9.440 -3.053 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.009 -2.907 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.263 -1.300 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.617 -1.844 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.998 -4.727 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.570 -3.731 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.518 -4.448 -4.361 1.00 0.00 H new ATOM 483 N THR A 40 8.530 -3.936 -7.036 1.00 0.00 N ATOM 484 CA THR A 40 8.018 -5.111 -7.732 1.00 0.00 C ATOM 485 C THR A 40 7.557 -6.177 -6.744 1.00 0.00 C ATOM 486 O THR A 40 7.805 -6.076 -5.543 1.00 0.00 O ATOM 487 CB THR A 40 9.088 -5.689 -8.658 1.00 0.00 C ATOM 488 OG1 THR A 40 8.673 -6.938 -9.187 1.00 0.00 O ATOM 489 CG2 THR A 40 10.423 -5.899 -7.979 1.00 0.00 C ATOM 0 H THR A 40 9.547 -3.886 -6.984 1.00 0.00 H new ATOM 0 HA THR A 40 7.160 -4.800 -8.327 1.00 0.00 H new ATOM 0 HB THR A 40 9.215 -4.947 -9.447 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.426 -7.365 -9.647 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.134 -6.311 -8.695 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.795 -4.945 -7.606 1.00 0.00 H new ATOM 0 HG23 THR A 40 10.303 -6.592 -7.147 1.00 0.00 H new ATOM 497 N ILE A 41 6.885 -7.200 -7.262 1.00 0.00 N ATOM 498 CA ILE A 41 6.388 -8.290 -6.433 1.00 0.00 C ATOM 499 C ILE A 41 6.746 -9.642 -7.042 1.00 0.00 C ATOM 500 O ILE A 41 6.119 -10.085 -8.004 1.00 0.00 O ATOM 501 CB ILE A 41 4.858 -8.201 -6.251 1.00 0.00 C ATOM 502 CG1 ILE A 41 4.468 -6.824 -5.711 1.00 0.00 C ATOM 503 CG2 ILE A 41 4.367 -9.300 -5.321 1.00 0.00 C ATOM 504 CD1 ILE A 41 4.505 -5.730 -6.757 1.00 0.00 C ATOM 0 H ILE A 41 6.672 -7.296 -8.255 1.00 0.00 H new ATOM 0 HA ILE A 41 6.865 -8.198 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 41 4.383 -8.339 -7.222 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.464 -6.879 -5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.141 -6.559 -4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.286 -9.222 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.617 -10.273 -5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.846 -9.194 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.217 -4.782 -6.302 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.514 -5.647 -7.161 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.811 -5.972 -7.562 1.00 0.00 H new ATOM 516 N HIS A 42 7.763 -10.290 -6.481 1.00 0.00 N ATOM 517 CA HIS A 42 8.210 -11.589 -6.975 1.00 0.00 C ATOM 518 C HIS A 42 7.650 -12.730 -6.130 1.00 0.00 C ATOM 519 O HIS A 42 7.420 -12.575 -4.930 1.00 0.00 O ATOM 520 CB HIS A 42 9.740 -11.650 -6.987 1.00 0.00 C ATOM 521 CG HIS A 42 10.309 -12.098 -8.298 1.00 0.00 C ATOM 522 ND1 HIS A 42 11.225 -11.356 -9.014 1.00 0.00 N ATOM 523 CD2 HIS A 42 10.088 -13.220 -9.022 1.00 0.00 C ATOM 524 CE1 HIS A 42 11.542 -12.002 -10.122 1.00 0.00 C ATOM 525 NE2 HIS A 42 10.866 -13.136 -10.150 1.00 0.00 N ATOM 0 H HIS A 42 8.293 -9.937 -5.684 1.00 0.00 H new ATOM 0 HA HIS A 42 7.835 -11.707 -7.992 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.137 -10.664 -6.745 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.075 -12.329 -6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.423 -14.030 -8.761 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.236 -11.661 -10.876 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.914 -13.836 -10.890 1.00 0.00 H new ATOM 534 N ARG A 43 7.432 -13.878 -6.770 1.00 0.00 N ATOM 535 CA ARG A 43 6.898 -15.059 -6.094 1.00 0.00 C ATOM 536 C ARG A 43 7.567 -15.292 -4.744 1.00 0.00 C ATOM 537 O ARG A 43 8.650 -14.774 -4.472 1.00 0.00 O ATOM 538 CB ARG A 43 7.088 -16.301 -6.970 1.00 0.00 C ATOM 539 CG ARG A 43 5.871 -16.668 -7.798 1.00 0.00 C ATOM 540 CD ARG A 43 4.620 -16.806 -6.943 1.00 0.00 C ATOM 541 NE ARG A 43 4.790 -17.799 -5.883 1.00 0.00 N ATOM 542 CZ ARG A 43 3.778 -18.405 -5.266 1.00 0.00 C ATOM 543 NH1 ARG A 43 2.523 -18.118 -5.593 1.00 0.00 N ATOM 544 NH2 ARG A 43 4.020 -19.300 -4.319 1.00 0.00 N ATOM 0 H ARG A 43 7.619 -14.015 -7.763 1.00 0.00 H new ATOM 0 HA ARG A 43 5.836 -14.881 -5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.932 -16.135 -7.639 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.348 -17.146 -6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.707 -15.905 -8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.058 -17.606 -8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.375 -15.841 -6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.778 -17.090 -7.575 1.00 0.00 H new ATOM 0 HE ARG A 43 5.739 -18.041 -5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.330 -17.430 -6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.752 -18.586 -5.116 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.982 -19.524 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.245 -19.764 -3.846 1.00 0.00 H new ATOM 558 N GLY A 44 6.910 -16.093 -3.911 1.00 0.00 N ATOM 559 CA GLY A 44 7.437 -16.417 -2.594 1.00 0.00 C ATOM 560 C GLY A 44 8.000 -15.215 -1.857 1.00 0.00 C ATOM 561 O GLY A 44 9.034 -15.316 -1.195 1.00 0.00 O ATOM 0 H GLY A 44 6.013 -16.528 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.644 -16.863 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.219 -17.169 -2.699 1.00 0.00 H new ATOM 565 N GLN A 45 7.322 -14.079 -1.966 1.00 0.00 N ATOM 566 CA GLN A 45 7.763 -12.862 -1.297 1.00 0.00 C ATOM 567 C GLN A 45 6.666 -12.320 -0.390 1.00 0.00 C ATOM 568 O GLN A 45 5.649 -11.816 -0.866 1.00 0.00 O ATOM 569 CB GLN A 45 8.160 -11.804 -2.329 1.00 0.00 C ATOM 570 CG GLN A 45 9.020 -10.689 -1.756 1.00 0.00 C ATOM 571 CD GLN A 45 9.543 -9.749 -2.825 1.00 0.00 C ATOM 572 OE1 GLN A 45 9.366 -9.991 -4.020 1.00 0.00 O ATOM 573 NE2 GLN A 45 10.190 -8.671 -2.401 1.00 0.00 N ATOM 0 H GLN A 45 6.466 -13.975 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 45 8.632 -13.103 -0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.701 -12.287 -3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.257 -11.371 -2.759 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.437 -10.121 -1.031 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.861 -11.124 -1.217 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.313 -8.511 -1.401 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.564 -8.003 -3.075 1.00 0.00 H new ATOM 582 N VAL A 46 6.875 -12.422 0.918 1.00 0.00 N ATOM 583 CA VAL A 46 5.898 -11.940 1.882 1.00 0.00 C ATOM 584 C VAL A 46 5.834 -10.418 1.859 1.00 0.00 C ATOM 585 O VAL A 46 6.791 -9.755 1.457 1.00 0.00 O ATOM 586 CB VAL A 46 6.232 -12.420 3.307 1.00 0.00 C ATOM 587 CG1 VAL A 46 5.200 -11.914 4.305 1.00 0.00 C ATOM 588 CG2 VAL A 46 6.325 -13.937 3.349 1.00 0.00 C ATOM 0 H VAL A 46 7.711 -12.834 1.333 1.00 0.00 H new ATOM 0 HA VAL A 46 4.928 -12.348 1.598 1.00 0.00 H new ATOM 0 HB VAL A 46 7.201 -12.009 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.457 -12.266 5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.189 -10.824 4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.214 -12.289 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.562 -14.259 4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.372 -14.369 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.109 -14.272 2.670 1.00 0.00 H new ATOM 598 N VAL A 47 4.705 -9.867 2.285 1.00 0.00 N ATOM 599 CA VAL A 47 4.521 -8.439 2.303 1.00 0.00 C ATOM 600 C VAL A 47 3.633 -8.008 3.466 1.00 0.00 C ATOM 601 O VAL A 47 2.978 -8.836 4.100 1.00 0.00 O ATOM 602 CB VAL A 47 3.913 -7.920 0.981 1.00 0.00 C ATOM 603 CG1 VAL A 47 4.357 -6.499 0.688 1.00 0.00 C ATOM 604 CG2 VAL A 47 4.255 -8.842 -0.185 1.00 0.00 C ATOM 0 H VAL A 47 3.903 -10.400 2.623 1.00 0.00 H new ATOM 0 HA VAL A 47 5.512 -8.003 2.427 1.00 0.00 H new ATOM 0 HB VAL A 47 2.830 -7.915 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.911 -6.164 -0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.036 -5.843 1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.443 -6.467 0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.813 -8.450 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.338 -8.898 -0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.859 -9.839 0.011 1.00 0.00 H new ATOM 614 N TYR A 48 3.619 -6.709 3.742 1.00 0.00 N ATOM 615 CA TYR A 48 2.813 -6.164 4.829 1.00 0.00 C ATOM 616 C TYR A 48 2.117 -4.876 4.398 1.00 0.00 C ATOM 617 O TYR A 48 2.726 -3.805 4.390 1.00 0.00 O ATOM 618 CB TYR A 48 3.691 -5.893 6.053 1.00 0.00 C ATOM 619 CG TYR A 48 3.721 -7.032 7.049 1.00 0.00 C ATOM 620 CD1 TYR A 48 2.631 -7.289 7.871 1.00 0.00 C ATOM 621 CD2 TYR A 48 4.841 -7.845 7.168 1.00 0.00 C ATOM 622 CE1 TYR A 48 2.657 -8.327 8.785 1.00 0.00 C ATOM 623 CE2 TYR A 48 4.874 -8.884 8.079 1.00 0.00 C ATOM 624 CZ TYR A 48 3.781 -9.120 8.885 1.00 0.00 C ATOM 625 OH TYR A 48 3.811 -10.154 9.793 1.00 0.00 O ATOM 0 H TYR A 48 4.158 -6.012 3.227 1.00 0.00 H new ATOM 0 HA TYR A 48 2.052 -6.900 5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.708 -5.687 5.720 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.332 -4.994 6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.750 -6.669 7.795 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.700 -7.662 6.539 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.802 -8.515 9.417 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.752 -9.508 8.159 1.00 0.00 H new ATOM 0 HH TYR A 48 3.266 -10.897 9.460 1.00 0.00 H new ATOM 635 N VAL A 49 0.842 -4.984 4.043 1.00 0.00 N ATOM 636 CA VAL A 49 0.068 -3.824 3.615 1.00 0.00 C ATOM 637 C VAL A 49 -0.201 -2.886 4.787 1.00 0.00 C ATOM 638 O VAL A 49 -0.620 -3.320 5.860 1.00 0.00 O ATOM 639 CB VAL A 49 -1.274 -4.243 2.984 1.00 0.00 C ATOM 640 CG1 VAL A 49 -1.997 -3.034 2.410 1.00 0.00 C ATOM 641 CG2 VAL A 49 -1.051 -5.298 1.911 1.00 0.00 C ATOM 0 H VAL A 49 0.322 -5.862 4.043 1.00 0.00 H new ATOM 0 HA VAL A 49 0.663 -3.304 2.864 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.902 -4.675 3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.942 -3.351 1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.191 -2.314 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.377 -2.569 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.009 -5.583 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.404 -4.894 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.580 -6.175 2.355 1.00 0.00 H new ATOM 651 N PHE A 50 0.046 -1.598 4.573 1.00 0.00 N ATOM 652 CA PHE A 50 -0.164 -0.595 5.611 1.00 0.00 C ATOM 653 C PHE A 50 -1.340 0.313 5.264 1.00 0.00 C ATOM 654 O PHE A 50 -1.980 0.879 6.150 1.00 0.00 O ATOM 655 CB PHE A 50 1.101 0.244 5.800 1.00 0.00 C ATOM 656 CG PHE A 50 2.089 -0.364 6.754 1.00 0.00 C ATOM 657 CD1 PHE A 50 1.866 -0.326 8.120 1.00 0.00 C ATOM 658 CD2 PHE A 50 3.241 -0.973 6.282 1.00 0.00 C ATOM 659 CE1 PHE A 50 2.773 -0.886 9.000 1.00 0.00 C ATOM 660 CE2 PHE A 50 4.152 -1.533 7.157 1.00 0.00 C ATOM 661 CZ PHE A 50 3.918 -1.490 8.518 1.00 0.00 C ATOM 0 H PHE A 50 0.392 -1.224 3.689 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.392 -1.115 6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.582 0.384 4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.820 1.233 6.162 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.973 0.147 8.502 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.429 -1.010 5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.587 -0.851 10.063 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.047 -2.004 6.777 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.629 -1.928 9.203 1.00 0.00 H new ATOM 671 N SER A 51 -1.619 0.450 3.971 1.00 0.00 N ATOM 672 CA SER A 51 -2.717 1.294 3.517 1.00 0.00 C ATOM 673 C SER A 51 -3.358 0.727 2.254 1.00 0.00 C ATOM 674 O SER A 51 -2.685 0.115 1.425 1.00 0.00 O ATOM 675 CB SER A 51 -2.220 2.716 3.255 1.00 0.00 C ATOM 676 OG SER A 51 -2.020 3.418 4.470 1.00 0.00 O ATOM 0 H SER A 51 -1.102 -0.011 3.223 1.00 0.00 H new ATOM 0 HA SER A 51 -3.471 1.318 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.286 2.681 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.943 3.249 2.638 1.00 0.00 H new ATOM 0 HG SER A 51 -2.115 2.800 5.224 1.00 0.00 H new ATOM 682 N LYS A 52 -4.662 0.938 2.115 1.00 0.00 N ATOM 683 CA LYS A 52 -5.397 0.450 0.954 1.00 0.00 C ATOM 684 C LYS A 52 -6.384 1.499 0.453 1.00 0.00 C ATOM 685 O LYS A 52 -7.547 1.512 0.855 1.00 0.00 O ATOM 686 CB LYS A 52 -6.141 -0.840 1.300 1.00 0.00 C ATOM 687 CG LYS A 52 -5.290 -1.853 2.048 1.00 0.00 C ATOM 688 CD LYS A 52 -5.651 -1.904 3.523 1.00 0.00 C ATOM 689 CE LYS A 52 -6.802 -2.863 3.782 1.00 0.00 C ATOM 690 NZ LYS A 52 -6.337 -4.273 3.885 1.00 0.00 N ATOM 0 H LYS A 52 -5.232 1.444 2.792 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.677 0.246 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.014 -0.595 1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.508 -1.295 0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.424 -2.840 1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.236 -1.596 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.781 -2.214 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.923 -0.906 3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.310 -2.580 4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.532 -2.779 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.090 -4.912 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.491 -4.404 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.104 -4.490 4.875 1.00 0.00 H new ATOM 704 N LEU A 53 -5.914 2.376 -0.427 1.00 0.00 N ATOM 705 CA LEU A 53 -6.757 3.428 -0.982 1.00 0.00 C ATOM 706 C LEU A 53 -7.721 2.858 -2.019 1.00 0.00 C ATOM 707 O LEU A 53 -7.304 2.199 -2.970 1.00 0.00 O ATOM 708 CB LEU A 53 -5.897 4.522 -1.616 1.00 0.00 C ATOM 709 CG LEU A 53 -6.672 5.729 -2.145 1.00 0.00 C ATOM 710 CD1 LEU A 53 -5.838 6.994 -2.024 1.00 0.00 C ATOM 711 CD2 LEU A 53 -7.091 5.501 -3.589 1.00 0.00 C ATOM 0 H LEU A 53 -4.954 2.379 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.338 3.861 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.174 4.869 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.329 4.086 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.571 5.853 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.406 7.842 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.588 7.166 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.921 6.882 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.642 6.370 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.205 5.351 -4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.727 4.618 -3.648 1.00 0.00 H new ATOM 723 N LYS A 54 -9.010 3.119 -1.828 1.00 0.00 N ATOM 724 CA LYS A 54 -10.033 2.632 -2.747 1.00 0.00 C ATOM 725 C LYS A 54 -10.805 3.797 -3.366 1.00 0.00 C ATOM 726 O LYS A 54 -10.339 4.937 -3.352 1.00 0.00 O ATOM 727 CB LYS A 54 -10.989 1.684 -2.018 1.00 0.00 C ATOM 728 CG LYS A 54 -11.903 2.381 -1.022 1.00 0.00 C ATOM 729 CD LYS A 54 -13.052 1.480 -0.595 1.00 0.00 C ATOM 730 CE LYS A 54 -13.687 1.957 0.702 1.00 0.00 C ATOM 731 NZ LYS A 54 -15.119 2.322 0.519 1.00 0.00 N ATOM 0 H LYS A 54 -9.371 3.665 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.542 2.085 -3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.600 1.162 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.406 0.927 -1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.328 2.679 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.300 3.293 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.806 1.454 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.688 0.460 -0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.606 1.173 1.455 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.138 2.820 1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.514 2.642 1.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.195 3.087 -0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.649 1.492 0.184 1.00 0.00 H new ATOM 745 N GLY A 55 -11.982 3.506 -3.914 1.00 0.00 N ATOM 746 CA GLY A 55 -12.788 4.542 -4.531 1.00 0.00 C ATOM 747 C GLY A 55 -12.288 4.904 -5.914 1.00 0.00 C ATOM 748 O GLY A 55 -13.003 4.743 -6.904 1.00 0.00 O ATOM 0 H GLY A 55 -12.390 2.572 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.823 4.205 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.781 5.430 -3.899 1.00 0.00 H new ATOM 752 N ARG A 56 -11.053 5.389 -5.982 1.00 0.00 N ATOM 753 CA ARG A 56 -10.448 5.768 -7.252 1.00 0.00 C ATOM 754 C ARG A 56 -9.018 5.239 -7.357 1.00 0.00 C ATOM 755 O ARG A 56 -8.253 5.666 -8.221 1.00 0.00 O ATOM 756 CB ARG A 56 -10.456 7.290 -7.410 1.00 0.00 C ATOM 757 CG ARG A 56 -11.597 7.807 -8.272 1.00 0.00 C ATOM 758 CD ARG A 56 -11.141 8.086 -9.697 1.00 0.00 C ATOM 759 NE ARG A 56 -11.800 7.212 -10.664 1.00 0.00 N ATOM 760 CZ ARG A 56 -11.395 5.974 -10.943 1.00 0.00 C ATOM 761 NH1 ARG A 56 -10.337 5.459 -10.330 1.00 0.00 N ATOM 762 NH2 ARG A 56 -12.051 5.250 -11.839 1.00 0.00 N ATOM 0 H ARG A 56 -10.451 5.529 -5.171 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.038 5.323 -8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.520 7.749 -6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.509 7.606 -7.847 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.405 7.075 -8.285 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.001 8.720 -7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.350 9.126 -9.947 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.061 7.953 -9.765 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.619 7.571 -11.155 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.828 6.012 -9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.033 4.510 -10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.865 5.641 -12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.742 4.302 -12.054 1.00 0.00 H new ATOM 776 N GLY A 57 -8.664 4.307 -6.473 1.00 0.00 N ATOM 777 CA GLY A 57 -7.328 3.744 -6.491 1.00 0.00 C ATOM 778 C GLY A 57 -7.252 2.393 -5.803 1.00 0.00 C ATOM 779 O GLY A 57 -6.189 1.991 -5.331 1.00 0.00 O ATOM 0 H GLY A 57 -9.278 3.935 -5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.996 3.640 -7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.640 4.435 -6.003 1.00 0.00 H new ATOM 783 N ARG A 58 -8.381 1.691 -5.745 1.00 0.00 N ATOM 784 CA ARG A 58 -8.440 0.380 -5.111 1.00 0.00 C ATOM 785 C ARG A 58 -7.334 -0.534 -5.635 1.00 0.00 C ATOM 786 O ARG A 58 -6.854 -1.418 -4.925 1.00 0.00 O ATOM 787 CB ARG A 58 -9.805 -0.264 -5.355 1.00 0.00 C ATOM 788 CG ARG A 58 -10.198 -1.281 -4.297 1.00 0.00 C ATOM 789 CD ARG A 58 -11.171 -2.311 -4.849 1.00 0.00 C ATOM 790 NE ARG A 58 -11.916 -2.985 -3.787 1.00 0.00 N ATOM 791 CZ ARG A 58 -11.428 -3.988 -3.061 1.00 0.00 C ATOM 792 NH1 ARG A 58 -10.196 -4.433 -3.273 1.00 0.00 N ATOM 793 NH2 ARG A 58 -12.174 -4.547 -2.117 1.00 0.00 N ATOM 0 H ARG A 58 -9.269 2.011 -6.131 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.293 0.517 -4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.564 0.518 -5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.798 -0.751 -6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.306 -1.784 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.651 -0.768 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.870 -1.822 -5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.623 -3.051 -5.433 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.865 -2.668 -3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.617 -4.006 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.828 -5.202 -2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.121 -4.208 -1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.800 -5.316 -1.560 1.00 0.00 H new ATOM 807 N LEU A 59 -6.938 -0.316 -6.886 1.00 0.00 N ATOM 808 CA LEU A 59 -5.901 -1.114 -7.514 1.00 0.00 C ATOM 809 C LEU A 59 -4.505 -0.719 -7.026 1.00 0.00 C ATOM 810 O LEU A 59 -3.508 -1.304 -7.450 1.00 0.00 O ATOM 811 CB LEU A 59 -5.975 -0.979 -9.036 1.00 0.00 C ATOM 812 CG LEU A 59 -6.249 0.437 -9.550 1.00 0.00 C ATOM 813 CD1 LEU A 59 -5.281 0.800 -10.665 1.00 0.00 C ATOM 814 CD2 LEU A 59 -7.688 0.562 -10.030 1.00 0.00 C ATOM 0 H LEU A 59 -7.326 0.413 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.074 -2.153 -7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.034 -1.328 -9.462 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.758 -1.641 -9.406 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.099 1.135 -8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.493 1.810 -11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.259 0.753 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.396 0.097 -11.490 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.864 1.575 -10.392 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.865 -0.148 -10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.367 0.348 -9.204 1.00 0.00 H new ATOM 826 N PHE A 60 -4.433 0.273 -6.141 1.00 0.00 N ATOM 827 CA PHE A 60 -3.153 0.730 -5.612 1.00 0.00 C ATOM 828 C PHE A 60 -3.127 0.638 -4.090 1.00 0.00 C ATOM 829 O PHE A 60 -3.488 1.586 -3.393 1.00 0.00 O ATOM 830 CB PHE A 60 -2.879 2.169 -6.057 1.00 0.00 C ATOM 831 CG PHE A 60 -1.575 2.335 -6.785 1.00 0.00 C ATOM 832 CD1 PHE A 60 -1.169 1.407 -7.730 1.00 0.00 C ATOM 833 CD2 PHE A 60 -0.755 3.422 -6.523 1.00 0.00 C ATOM 834 CE1 PHE A 60 0.031 1.558 -8.400 1.00 0.00 C ATOM 835 CE2 PHE A 60 0.445 3.579 -7.191 1.00 0.00 C ATOM 836 CZ PHE A 60 0.839 2.646 -8.130 1.00 0.00 C ATOM 0 H PHE A 60 -5.244 0.773 -5.777 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.372 0.081 -6.007 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.691 2.502 -6.703 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.882 2.818 -5.181 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.797 0.555 -7.946 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.057 4.154 -5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.336 0.826 -9.133 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.074 4.431 -6.979 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.777 2.766 -8.652 1.00 0.00 H new ATOM 846 N TRP A 61 -2.696 -0.511 -3.580 1.00 0.00 N ATOM 847 CA TRP A 61 -2.620 -0.731 -2.140 1.00 0.00 C ATOM 848 C TRP A 61 -1.201 -0.502 -1.628 1.00 0.00 C ATOM 849 O TRP A 61 -0.242 -1.069 -2.152 1.00 0.00 O ATOM 850 CB TRP A 61 -3.072 -2.151 -1.796 1.00 0.00 C ATOM 851 CG TRP A 61 -4.562 -2.313 -1.755 1.00 0.00 C ATOM 852 CD1 TRP A 61 -5.491 -1.512 -2.355 1.00 0.00 C ATOM 853 CD2 TRP A 61 -5.295 -3.340 -1.078 1.00 0.00 C ATOM 854 NE1 TRP A 61 -6.753 -1.977 -2.094 1.00 0.00 N ATOM 855 CE2 TRP A 61 -6.662 -3.098 -1.312 1.00 0.00 C ATOM 856 CE3 TRP A 61 -4.930 -4.441 -0.298 1.00 0.00 C ATOM 857 CZ2 TRP A 61 -7.663 -3.917 -0.794 1.00 0.00 C ATOM 858 CZ3 TRP A 61 -5.924 -5.252 0.216 1.00 0.00 C ATOM 859 CH2 TRP A 61 -7.276 -4.987 -0.034 1.00 0.00 C ATOM 0 H TRP A 61 -2.394 -1.306 -4.144 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.284 -0.016 -1.654 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.660 -2.843 -2.531 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -2.658 -2.431 -0.827 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.264 -0.639 -2.949 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -7.620 -1.556 -2.428 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.890 -4.654 -0.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -8.706 -3.715 -0.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.653 -6.105 0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -8.029 -5.641 0.382 1.00 0.00 H new ATOM 870 N GLY A 62 -1.074 0.328 -0.597 1.00 0.00 N ATOM 871 CA GLY A 62 0.231 0.612 -0.029 1.00 0.00 C ATOM 872 C GLY A 62 0.667 -0.446 0.966 1.00 0.00 C ATOM 873 O GLY A 62 -0.145 -0.943 1.747 1.00 0.00 O ATOM 0 H GLY A 62 -1.852 0.809 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.967 0.680 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.207 1.584 0.464 1.00 0.00 H new ATOM 877 N GLY A 63 1.950 -0.794 0.938 1.00 0.00 N ATOM 878 CA GLY A 63 2.460 -1.800 1.850 1.00 0.00 C ATOM 879 C GLY A 63 3.975 -1.832 1.903 1.00 0.00 C ATOM 880 O GLY A 63 4.637 -0.855 1.560 1.00 0.00 O ATOM 0 H GLY A 63 2.643 -0.399 0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.070 -1.608 2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.091 -2.780 1.546 1.00 0.00 H new ATOM 884 N SER A 64 4.521 -2.964 2.333 1.00 0.00 N ATOM 885 CA SER A 64 5.967 -3.131 2.432 1.00 0.00 C ATOM 886 C SER A 64 6.317 -4.609 2.395 1.00 0.00 C ATOM 887 O SER A 64 5.781 -5.396 3.178 1.00 0.00 O ATOM 888 CB SER A 64 6.495 -2.495 3.721 1.00 0.00 C ATOM 889 OG SER A 64 5.537 -1.621 4.290 1.00 0.00 O ATOM 0 H SER A 64 3.983 -3.782 2.619 1.00 0.00 H new ATOM 0 HA SER A 64 6.437 -2.631 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.749 -3.276 4.437 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.412 -1.945 3.509 1.00 0.00 H new ATOM 0 HG SER A 64 4.974 -2.118 4.919 1.00 0.00 H new ATOM 895 N VAL A 65 7.203 -4.993 1.484 1.00 0.00 N ATOM 896 CA VAL A 65 7.592 -6.374 1.349 1.00 0.00 C ATOM 897 C VAL A 65 8.501 -6.794 2.480 1.00 0.00 C ATOM 898 O VAL A 65 9.254 -5.997 3.040 1.00 0.00 O ATOM 899 CB VAL A 65 8.303 -6.678 0.010 1.00 0.00 C ATOM 900 CG1 VAL A 65 7.475 -7.635 -0.836 1.00 0.00 C ATOM 901 CG2 VAL A 65 8.622 -5.411 -0.775 1.00 0.00 C ATOM 0 H VAL A 65 7.662 -4.358 0.830 1.00 0.00 H new ATOM 0 HA VAL A 65 6.662 -6.942 1.377 1.00 0.00 H new ATOM 0 HB VAL A 65 9.252 -7.155 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.994 -7.835 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.333 -8.570 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.504 -7.187 -1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.121 -5.676 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.697 -4.878 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.276 -4.771 -0.183 1.00 0.00 H new ATOM 911 N GLN A 66 8.406 -8.061 2.797 1.00 0.00 N ATOM 912 CA GLN A 66 9.202 -8.657 3.865 1.00 0.00 C ATOM 913 C GLN A 66 10.693 -8.452 3.619 1.00 0.00 C ATOM 914 O GLN A 66 11.125 -8.265 2.481 1.00 0.00 O ATOM 915 CB GLN A 66 8.896 -10.151 3.985 1.00 0.00 C ATOM 916 CG GLN A 66 9.278 -10.950 2.750 1.00 0.00 C ATOM 917 CD GLN A 66 9.956 -12.263 3.090 1.00 0.00 C ATOM 918 OE1 GLN A 66 9.676 -12.869 4.125 1.00 0.00 O ATOM 919 NE2 GLN A 66 10.853 -12.709 2.220 1.00 0.00 N ATOM 0 H GLN A 66 7.779 -8.715 2.329 1.00 0.00 H new ATOM 0 HA GLN A 66 8.936 -8.160 4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.427 -10.554 4.847 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.831 -10.281 4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.383 -11.150 2.160 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.944 -10.353 2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.054 -12.174 1.375 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.342 -13.587 2.396 1.00 0.00 H new ATOM 928 N GLY A 67 11.475 -8.487 4.693 1.00 0.00 N ATOM 929 CA GLY A 67 12.910 -8.303 4.575 1.00 0.00 C ATOM 930 C GLY A 67 13.621 -8.406 5.910 1.00 0.00 C ATOM 931 O GLY A 67 13.085 -8.972 6.863 1.00 0.00 O ATOM 0 H GLY A 67 11.140 -8.640 5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.314 -9.051 3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.113 -7.327 4.134 1.00 0.00 H new ATOM 935 N ASP A 68 14.831 -7.859 5.979 1.00 0.00 N ATOM 936 CA ASP A 68 15.615 -7.893 7.208 1.00 0.00 C ATOM 937 C ASP A 68 15.617 -6.528 7.891 1.00 0.00 C ATOM 938 O ASP A 68 15.094 -5.553 7.352 1.00 0.00 O ATOM 939 CB ASP A 68 17.051 -8.330 6.908 1.00 0.00 C ATOM 940 CG ASP A 68 17.161 -9.820 6.654 1.00 0.00 C ATOM 941 OD1 ASP A 68 17.107 -10.595 7.633 1.00 0.00 O ATOM 942 OD2 ASP A 68 17.302 -10.213 5.477 1.00 0.00 O ATOM 0 H ASP A 68 15.289 -7.388 5.199 1.00 0.00 H new ATOM 0 HA ASP A 68 15.156 -8.615 7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.418 -7.788 6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.693 -8.059 7.746 1.00 0.00 H new ATOM 947 N TYR A 69 16.209 -6.467 9.079 1.00 0.00 N ATOM 948 CA TYR A 69 16.279 -5.223 9.836 1.00 0.00 C ATOM 949 C TYR A 69 17.607 -5.110 10.578 1.00 0.00 C ATOM 950 O TYR A 69 17.680 -4.509 11.650 1.00 0.00 O ATOM 951 CB TYR A 69 15.118 -5.139 10.827 1.00 0.00 C ATOM 952 CG TYR A 69 13.821 -4.676 10.205 1.00 0.00 C ATOM 953 CD1 TYR A 69 13.674 -3.374 9.744 1.00 0.00 C ATOM 954 CD2 TYR A 69 12.742 -5.543 10.077 1.00 0.00 C ATOM 955 CE1 TYR A 69 12.489 -2.948 9.175 1.00 0.00 C ATOM 956 CE2 TYR A 69 11.554 -5.123 9.509 1.00 0.00 C ATOM 957 CZ TYR A 69 11.433 -3.825 9.059 1.00 0.00 C ATOM 958 OH TYR A 69 10.252 -3.405 8.493 1.00 0.00 O ATOM 0 H TYR A 69 16.647 -7.265 9.538 1.00 0.00 H new ATOM 0 HA TYR A 69 16.207 -4.394 9.132 1.00 0.00 H new ATOM 0 HB2 TYR A 69 14.965 -6.120 11.278 1.00 0.00 H new ATOM 0 HB3 TYR A 69 15.388 -4.457 11.633 1.00 0.00 H new ATOM 0 HD1 TYR A 69 14.500 -2.683 9.832 1.00 0.00 H new ATOM 0 HD2 TYR A 69 12.833 -6.561 10.427 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.391 -1.932 8.823 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.724 -5.808 9.418 1.00 0.00 H new ATOM 0 HH TYR A 69 9.611 -4.146 8.486 1.00 0.00 H new ATOM 968 N TYR A 70 18.653 -5.692 10.002 1.00 0.00 N ATOM 969 CA TYR A 70 19.978 -5.656 10.610 1.00 0.00 C ATOM 970 C TYR A 70 21.030 -6.200 9.650 1.00 0.00 C ATOM 971 O TYR A 70 20.977 -7.363 9.249 1.00 0.00 O ATOM 972 CB TYR A 70 19.990 -6.463 11.910 1.00 0.00 C ATOM 973 CG TYR A 70 19.605 -7.913 11.725 1.00 0.00 C ATOM 974 CD1 TYR A 70 18.299 -8.273 11.420 1.00 0.00 C ATOM 975 CD2 TYR A 70 20.551 -8.924 11.856 1.00 0.00 C ATOM 976 CE1 TYR A 70 17.944 -9.599 11.251 1.00 0.00 C ATOM 977 CE2 TYR A 70 20.203 -10.251 11.688 1.00 0.00 C ATOM 978 CZ TYR A 70 18.900 -10.583 11.386 1.00 0.00 C ATOM 979 OH TYR A 70 18.551 -11.903 11.218 1.00 0.00 O ATOM 0 H TYR A 70 18.609 -6.194 9.115 1.00 0.00 H new ATOM 0 HA TYR A 70 20.219 -4.617 10.835 1.00 0.00 H new ATOM 0 HB2 TYR A 70 20.986 -6.413 12.350 1.00 0.00 H new ATOM 0 HB3 TYR A 70 19.305 -6.001 12.621 1.00 0.00 H new ATOM 0 HD1 TYR A 70 17.548 -7.505 11.313 1.00 0.00 H new ATOM 0 HD2 TYR A 70 21.573 -8.668 12.093 1.00 0.00 H new ATOM 0 HE1 TYR A 70 16.924 -9.862 11.015 1.00 0.00 H new ATOM 0 HE2 TYR A 70 20.949 -11.025 11.793 1.00 0.00 H new ATOM 0 HH TYR A 70 19.341 -12.469 11.346 1.00 0.00 H new ATOM 989 N GLY A 71 21.985 -5.351 9.283 1.00 0.00 N ATOM 990 CA GLY A 71 23.036 -5.764 8.371 1.00 0.00 C ATOM 991 C GLY A 71 22.556 -5.866 6.936 1.00 0.00 C ATOM 992 O GLY A 71 23.158 -6.565 6.122 1.00 0.00 O ATOM 0 H GLY A 71 22.050 -4.384 9.601 1.00 0.00 H new ATOM 0 HA2 GLY A 71 23.859 -5.052 8.425 1.00 0.00 H new ATOM 0 HA3 GLY A 71 23.429 -6.730 8.688 1.00 0.00 H new ATOM 996 N ASP A 72 21.468 -5.164 6.625 1.00 0.00 N ATOM 997 CA ASP A 72 20.908 -5.176 5.277 1.00 0.00 C ATOM 998 C ASP A 72 19.660 -4.304 5.206 1.00 0.00 C ATOM 999 O ASP A 72 18.568 -4.781 4.899 1.00 0.00 O ATOM 1000 CB ASP A 72 20.576 -6.607 4.848 1.00 0.00 C ATOM 1001 CG ASP A 72 20.872 -6.855 3.382 1.00 0.00 C ATOM 1002 OD1 ASP A 72 20.364 -6.088 2.535 1.00 0.00 O ATOM 1003 OD2 ASP A 72 21.613 -7.813 3.080 1.00 0.00 O ATOM 0 H ASP A 72 20.958 -4.581 7.288 1.00 0.00 H new ATOM 0 HA ASP A 72 21.654 -4.770 4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 72 21.149 -7.308 5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 72 19.522 -6.806 5.042 1.00 0.00 H new ATOM 1008 N LEU A 73 19.834 -3.020 5.493 1.00 0.00 N ATOM 1009 CA LEU A 73 18.726 -2.071 5.465 1.00 0.00 C ATOM 1010 C LEU A 73 18.486 -1.556 4.050 1.00 0.00 C ATOM 1011 O LEU A 73 19.412 -1.096 3.380 1.00 0.00 O ATOM 1012 CB LEU A 73 19.006 -0.899 6.407 1.00 0.00 C ATOM 1013 CG LEU A 73 19.626 -1.284 7.753 1.00 0.00 C ATOM 1014 CD1 LEU A 73 21.115 -0.971 7.766 1.00 0.00 C ATOM 1015 CD2 LEU A 73 18.920 -0.563 8.893 1.00 0.00 C ATOM 0 H LEU A 73 20.733 -2.611 5.748 1.00 0.00 H new ATOM 0 HA LEU A 73 17.828 -2.590 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 73 19.673 -0.199 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.071 -0.370 6.593 1.00 0.00 H new ATOM 0 HG LEU A 73 19.499 -2.357 7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.537 -1.252 8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.612 -1.533 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 73 21.264 0.096 7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 73 19.374 -0.849 9.841 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.014 0.514 8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.865 -0.837 8.899 1.00 0.00 H new ATOM 1027 N ALA A 74 17.236 -1.634 3.601 1.00 0.00 N ATOM 1028 CA ALA A 74 16.867 -1.175 2.268 1.00 0.00 C ATOM 1029 C ALA A 74 15.415 -1.524 1.954 1.00 0.00 C ATOM 1030 O ALA A 74 15.141 -2.441 1.179 1.00 0.00 O ATOM 1031 CB ALA A 74 17.794 -1.771 1.218 1.00 0.00 C ATOM 0 H ALA A 74 16.460 -2.012 4.144 1.00 0.00 H new ATOM 0 HA ALA A 74 16.971 -0.090 2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 74 17.501 -1.416 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 74 18.820 -1.466 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 74 17.725 -2.858 1.247 1.00 0.00 H new ATOM 1037 N ALA A 75 14.489 -0.790 2.563 1.00 0.00 N ATOM 1038 CA ALA A 75 13.067 -1.025 2.348 1.00 0.00 C ATOM 1039 C ALA A 75 12.294 0.289 2.292 1.00 0.00 C ATOM 1040 O ALA A 75 12.757 1.315 2.790 1.00 0.00 O ATOM 1041 CB ALA A 75 12.510 -1.919 3.444 1.00 0.00 C ATOM 0 H ALA A 75 14.698 -0.028 3.208 1.00 0.00 H new ATOM 0 HA ALA A 75 12.948 -1.527 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.447 -2.087 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.034 -2.875 3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.649 -1.438 4.412 1.00 0.00 H new ATOM 1047 N ARG A 76 11.114 0.249 1.683 1.00 0.00 N ATOM 1048 CA ARG A 76 10.273 1.435 1.560 1.00 0.00 C ATOM 1049 C ARG A 76 8.826 1.045 1.282 1.00 0.00 C ATOM 1050 O ARG A 76 8.558 0.020 0.655 1.00 0.00 O ATOM 1051 CB ARG A 76 10.796 2.343 0.446 1.00 0.00 C ATOM 1052 CG ARG A 76 11.716 3.446 0.942 1.00 0.00 C ATOM 1053 CD ARG A 76 11.983 4.478 -0.143 1.00 0.00 C ATOM 1054 NE ARG A 76 12.713 5.635 0.369 1.00 0.00 N ATOM 1055 CZ ARG A 76 13.128 6.646 -0.390 1.00 0.00 C ATOM 1056 NH1 ARG A 76 12.887 6.646 -1.696 1.00 0.00 N ATOM 1057 NH2 ARG A 76 13.784 7.660 0.156 1.00 0.00 N ATOM 0 H ARG A 76 10.717 -0.593 1.266 1.00 0.00 H new ATOM 0 HA ARG A 76 10.308 1.978 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.331 1.736 -0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.949 2.793 -0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.267 3.934 1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.660 3.013 1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.554 4.017 -0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.036 4.807 -0.571 1.00 0.00 H new ATOM 0 HE ARG A 76 12.917 5.670 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.382 5.869 -2.121 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.207 7.423 -2.274 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.971 7.666 1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.102 8.435 -0.427 1.00 0.00 H new ATOM 1071 N LEU A 77 7.893 1.869 1.751 1.00 0.00 N ATOM 1072 CA LEU A 77 6.473 1.607 1.551 1.00 0.00 C ATOM 1073 C LEU A 77 6.059 1.921 0.117 1.00 0.00 C ATOM 1074 O LEU A 77 6.113 3.072 -0.318 1.00 0.00 O ATOM 1075 CB LEU A 77 5.636 2.433 2.530 1.00 0.00 C ATOM 1076 CG LEU A 77 4.128 2.183 2.468 1.00 0.00 C ATOM 1077 CD1 LEU A 77 3.511 2.290 3.854 1.00 0.00 C ATOM 1078 CD2 LEU A 77 3.464 3.161 1.510 1.00 0.00 C ATOM 0 H LEU A 77 8.096 2.723 2.271 1.00 0.00 H new ATOM 0 HA LEU A 77 6.295 0.548 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.981 2.226 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.821 3.490 2.340 1.00 0.00 H new ATOM 0 HG LEU A 77 3.962 1.172 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.438 2.109 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.965 1.549 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.687 3.288 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.392 2.968 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.640 4.181 1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.885 3.035 0.512 1.00 0.00 H new ATOM 1090 N GLY A 78 5.644 0.890 -0.613 1.00 0.00 N ATOM 1091 CA GLY A 78 5.227 1.075 -1.991 1.00 0.00 C ATOM 1092 C GLY A 78 3.745 0.823 -2.186 1.00 0.00 C ATOM 1093 O GLY A 78 3.095 0.214 -1.337 1.00 0.00 O ATOM 0 H GLY A 78 5.589 -0.071 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.464 2.091 -2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.795 0.401 -2.633 1.00 0.00 H new ATOM 1097 N TYR A 79 3.210 1.293 -3.309 1.00 0.00 N ATOM 1098 CA TYR A 79 1.794 1.115 -3.614 1.00 0.00 C ATOM 1099 C TYR A 79 1.613 0.313 -4.898 1.00 0.00 C ATOM 1100 O TYR A 79 2.126 0.687 -5.953 1.00 0.00 O ATOM 1101 CB TYR A 79 1.105 2.474 -3.746 1.00 0.00 C ATOM 1102 CG TYR A 79 0.658 3.060 -2.425 1.00 0.00 C ATOM 1103 CD1 TYR A 79 1.543 3.775 -1.626 1.00 0.00 C ATOM 1104 CD2 TYR A 79 -0.646 2.896 -1.976 1.00 0.00 C ATOM 1105 CE1 TYR A 79 1.138 4.311 -0.418 1.00 0.00 C ATOM 1106 CE2 TYR A 79 -1.057 3.429 -0.770 1.00 0.00 C ATOM 1107 CZ TYR A 79 -0.162 4.136 0.005 1.00 0.00 C ATOM 1108 OH TYR A 79 -0.569 4.667 1.207 1.00 0.00 O ATOM 0 H TYR A 79 3.735 1.799 -4.022 1.00 0.00 H new ATOM 0 HA TYR A 79 1.337 0.562 -2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.788 3.172 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.239 2.370 -4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.563 3.914 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.350 2.343 -2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.837 4.864 0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.075 3.293 -0.435 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.301 5.301 1.054 1.00 0.00 H new ATOM 1118 N PHE A 80 0.879 -0.791 -4.802 1.00 0.00 N ATOM 1119 CA PHE A 80 0.630 -1.646 -5.953 1.00 0.00 C ATOM 1120 C PHE A 80 -0.606 -2.513 -5.728 1.00 0.00 C ATOM 1121 O PHE A 80 -1.014 -2.744 -4.589 1.00 0.00 O ATOM 1122 CB PHE A 80 1.845 -2.534 -6.228 1.00 0.00 C ATOM 1123 CG PHE A 80 2.240 -3.386 -5.055 1.00 0.00 C ATOM 1124 CD1 PHE A 80 3.140 -2.915 -4.113 1.00 0.00 C ATOM 1125 CD2 PHE A 80 1.711 -4.656 -4.897 1.00 0.00 C ATOM 1126 CE1 PHE A 80 3.506 -3.696 -3.034 1.00 0.00 C ATOM 1127 CE2 PHE A 80 2.073 -5.442 -3.819 1.00 0.00 C ATOM 1128 CZ PHE A 80 2.971 -4.962 -2.886 1.00 0.00 C ATOM 0 H PHE A 80 0.446 -1.113 -3.936 1.00 0.00 H new ATOM 0 HA PHE A 80 0.453 -1.007 -6.818 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.629 -3.179 -7.080 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.689 -1.905 -6.511 1.00 0.00 H new ATOM 0 HD1 PHE A 80 3.560 -1.926 -4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.008 -5.036 -5.624 1.00 0.00 H new ATOM 0 HE1 PHE A 80 4.209 -3.318 -2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.654 -6.431 -3.706 1.00 0.00 H new ATOM 0 HZ PHE A 80 3.255 -5.574 -2.043 1.00 0.00 H new ATOM 1138 N PRO A 81 -1.219 -3.004 -6.817 1.00 0.00 N ATOM 1139 CA PRO A 81 -2.414 -3.851 -6.737 1.00 0.00 C ATOM 1140 C PRO A 81 -2.242 -5.004 -5.753 1.00 0.00 C ATOM 1141 O PRO A 81 -1.204 -5.666 -5.731 1.00 0.00 O ATOM 1142 CB PRO A 81 -2.565 -4.385 -8.163 1.00 0.00 C ATOM 1143 CG PRO A 81 -1.917 -3.355 -9.024 1.00 0.00 C ATOM 1144 CD PRO A 81 -0.794 -2.773 -8.208 1.00 0.00 C ATOM 0 HA PRO A 81 -3.283 -3.298 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.082 -5.356 -8.275 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.614 -4.518 -8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.540 -3.799 -9.945 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.630 -2.583 -9.311 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.155 -3.264 -8.424 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -0.657 -1.711 -8.414 1.00 0.00 H new ATOM 1152 N SER A 82 -3.267 -5.236 -4.940 1.00 0.00 N ATOM 1153 CA SER A 82 -3.230 -6.306 -3.950 1.00 0.00 C ATOM 1154 C SER A 82 -3.388 -7.672 -4.613 1.00 0.00 C ATOM 1155 O SER A 82 -2.851 -8.671 -4.133 1.00 0.00 O ATOM 1156 CB SER A 82 -4.331 -6.102 -2.908 1.00 0.00 C ATOM 1157 OG SER A 82 -5.580 -6.567 -3.387 1.00 0.00 O ATOM 0 H SER A 82 -4.133 -4.698 -4.947 1.00 0.00 H new ATOM 0 HA SER A 82 -2.259 -6.274 -3.456 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.070 -6.630 -1.991 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.406 -5.044 -2.656 1.00 0.00 H new ATOM 0 HG SER A 82 -6.266 -6.427 -2.701 1.00 0.00 H new ATOM 1163 N SER A 83 -4.131 -7.709 -5.715 1.00 0.00 N ATOM 1164 CA SER A 83 -4.366 -8.951 -6.444 1.00 0.00 C ATOM 1165 C SER A 83 -3.062 -9.708 -6.684 1.00 0.00 C ATOM 1166 O SER A 83 -3.052 -10.938 -6.760 1.00 0.00 O ATOM 1167 CB SER A 83 -5.050 -8.658 -7.782 1.00 0.00 C ATOM 1168 OG SER A 83 -4.128 -8.141 -8.725 1.00 0.00 O ATOM 0 H SER A 83 -4.582 -6.890 -6.124 1.00 0.00 H new ATOM 0 HA SER A 83 -5.017 -9.578 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.499 -9.571 -8.172 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.859 -7.944 -7.631 1.00 0.00 H new ATOM 0 HG SER A 83 -4.590 -7.964 -9.571 1.00 0.00 H new ATOM 1174 N ILE A 84 -1.966 -8.968 -6.805 1.00 0.00 N ATOM 1175 CA ILE A 84 -0.661 -9.563 -7.038 1.00 0.00 C ATOM 1176 C ILE A 84 -0.238 -10.441 -5.866 1.00 0.00 C ATOM 1177 O ILE A 84 0.382 -11.488 -6.054 1.00 0.00 O ATOM 1178 CB ILE A 84 0.413 -8.482 -7.268 1.00 0.00 C ATOM 1179 CG1 ILE A 84 -0.119 -7.364 -8.171 1.00 0.00 C ATOM 1180 CG2 ILE A 84 1.652 -9.106 -7.876 1.00 0.00 C ATOM 1181 CD1 ILE A 84 -0.756 -7.863 -9.449 1.00 0.00 C ATOM 0 H ILE A 84 -1.959 -7.950 -6.745 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.749 -10.177 -7.934 1.00 0.00 H new ATOM 0 HB ILE A 84 0.672 -8.043 -6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.852 -6.778 -7.615 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.701 -6.692 -8.423 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.406 -8.336 -8.036 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.046 -9.865 -7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.396 -9.567 -8.830 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.108 -7.014 -10.035 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.021 -8.423 -10.027 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.598 -8.511 -9.207 1.00 0.00 H new ATOM 1193 N VAL A 85 -0.578 -10.007 -4.658 1.00 0.00 N ATOM 1194 CA VAL A 85 -0.232 -10.751 -3.453 1.00 0.00 C ATOM 1195 C VAL A 85 -1.476 -11.356 -2.804 1.00 0.00 C ATOM 1196 O VAL A 85 -2.583 -10.842 -2.963 1.00 0.00 O ATOM 1197 CB VAL A 85 0.480 -9.850 -2.425 1.00 0.00 C ATOM 1198 CG1 VAL A 85 1.801 -9.344 -2.984 1.00 0.00 C ATOM 1199 CG2 VAL A 85 -0.417 -8.689 -2.019 1.00 0.00 C ATOM 0 H VAL A 85 -1.093 -9.143 -4.487 1.00 0.00 H new ATOM 0 HA VAL A 85 0.443 -11.551 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 85 0.692 -10.442 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.290 -8.710 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.446 -10.191 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.616 -8.768 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.103 -8.064 -1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.663 -8.095 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.334 -9.076 -1.574 1.00 0.00 H new ATOM 1209 N ARG A 86 -1.282 -12.444 -2.066 1.00 0.00 N ATOM 1210 CA ARG A 86 -2.384 -13.116 -1.387 1.00 0.00 C ATOM 1211 C ARG A 86 -2.276 -12.931 0.123 1.00 0.00 C ATOM 1212 O ARG A 86 -1.336 -13.418 0.751 1.00 0.00 O ATOM 1213 CB ARG A 86 -2.392 -14.606 -1.731 1.00 0.00 C ATOM 1214 CG ARG A 86 -3.761 -15.253 -1.606 1.00 0.00 C ATOM 1215 CD ARG A 86 -3.650 -16.731 -1.263 1.00 0.00 C ATOM 1216 NE ARG A 86 -4.958 -17.378 -1.196 1.00 0.00 N ATOM 1217 CZ ARG A 86 -5.179 -18.543 -0.590 1.00 0.00 C ATOM 1218 NH1 ARG A 86 -4.183 -19.190 0.002 1.00 0.00 N ATOM 1219 NH2 ARG A 86 -6.399 -19.062 -0.577 1.00 0.00 N ATOM 0 H ARG A 86 -0.371 -12.880 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.318 -12.670 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.030 -14.737 -2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.693 -15.125 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.337 -14.742 -0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.307 -15.136 -2.542 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.036 -17.232 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.141 -16.844 -0.306 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.748 -16.910 -1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.243 -18.795 -0.006 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.358 -20.082 0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.168 -18.569 -1.031 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.569 -19.954 -0.113 1.00 0.00 H new ATOM 1233 N GLU A 87 -3.240 -12.220 0.699 1.00 0.00 N ATOM 1234 CA GLU A 87 -3.248 -11.968 2.135 1.00 0.00 C ATOM 1235 C GLU A 87 -3.710 -13.198 2.906 1.00 0.00 C ATOM 1236 O GLU A 87 -4.774 -13.754 2.631 1.00 0.00 O ATOM 1237 CB GLU A 87 -4.151 -10.778 2.460 1.00 0.00 C ATOM 1238 CG GLU A 87 -5.532 -10.872 1.831 1.00 0.00 C ATOM 1239 CD GLU A 87 -6.514 -9.887 2.435 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -7.183 -10.248 3.426 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -6.614 -8.755 1.916 1.00 0.00 O ATOM 0 H GLU A 87 -4.025 -11.809 0.194 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.228 -11.736 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.258 -10.699 3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.668 -9.862 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.453 -10.690 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.916 -11.885 1.955 1.00 0.00 H new ATOM 1248 N ASP A 88 -2.903 -13.616 3.876 1.00 0.00 N ATOM 1249 CA ASP A 88 -3.227 -14.779 4.692 1.00 0.00 C ATOM 1250 C ASP A 88 -3.442 -14.377 6.143 1.00 0.00 C ATOM 1251 O ASP A 88 -4.418 -14.779 6.777 1.00 0.00 O ATOM 1252 CB ASP A 88 -2.113 -15.826 4.593 1.00 0.00 C ATOM 1253 CG ASP A 88 -2.615 -17.155 4.064 1.00 0.00 C ATOM 1254 OD1 ASP A 88 -3.189 -17.174 2.953 1.00 0.00 O ATOM 1255 OD2 ASP A 88 -2.435 -18.177 4.759 1.00 0.00 O ATOM 0 H ASP A 88 -2.020 -13.166 4.116 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.153 -15.213 4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.324 -15.453 3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.669 -15.974 5.577 1.00 0.00 H new ATOM 1260 N GLN A 89 -2.521 -13.583 6.658 1.00 0.00 N ATOM 1261 CA GLN A 89 -2.582 -13.115 8.025 1.00 0.00 C ATOM 1262 C GLN A 89 -3.096 -11.682 8.076 1.00 0.00 C ATOM 1263 O GLN A 89 -2.886 -10.908 7.143 1.00 0.00 O ATOM 1264 CB GLN A 89 -1.191 -13.195 8.630 1.00 0.00 C ATOM 1265 CG GLN A 89 -1.171 -13.116 10.148 1.00 0.00 C ATOM 1266 CD GLN A 89 0.120 -13.643 10.742 1.00 0.00 C ATOM 1267 OE1 GLN A 89 1.111 -12.919 10.843 1.00 0.00 O ATOM 1268 NE2 GLN A 89 0.117 -14.911 11.136 1.00 0.00 N ATOM 0 H GLN A 89 -1.711 -13.246 6.138 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.270 -13.741 8.594 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.724 -14.129 8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.583 -12.385 8.226 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.312 -12.080 10.456 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.010 -13.685 10.549 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.727 -15.475 11.034 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.958 -15.321 11.541 1.00 0.00 H new ATOM 1277 N THR A 90 -3.766 -11.329 9.166 1.00 0.00 N ATOM 1278 CA THR A 90 -4.300 -9.983 9.318 1.00 0.00 C ATOM 1279 C THR A 90 -4.087 -9.453 10.728 1.00 0.00 C ATOM 1280 O THR A 90 -4.060 -10.212 11.697 1.00 0.00 O ATOM 1281 CB THR A 90 -5.785 -9.944 8.972 1.00 0.00 C ATOM 1282 OG1 THR A 90 -6.472 -11.030 9.566 1.00 0.00 O ATOM 1283 CG2 THR A 90 -6.055 -9.984 7.485 1.00 0.00 C ATOM 0 H THR A 90 -3.951 -11.952 9.952 1.00 0.00 H new ATOM 0 HA THR A 90 -3.756 -9.342 8.624 1.00 0.00 H new ATOM 0 HB THR A 90 -6.145 -8.993 9.364 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.422 -10.983 9.332 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.130 -9.953 7.310 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.585 -9.125 7.007 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.645 -10.903 7.065 1.00 0.00 H new ATOM 1291 N LEU A 91 -3.937 -8.140 10.826 1.00 0.00 N ATOM 1292 CA LEU A 91 -3.725 -7.480 12.106 1.00 0.00 C ATOM 1293 C LEU A 91 -4.263 -6.053 12.068 1.00 0.00 C ATOM 1294 O LEU A 91 -3.781 -5.178 12.788 1.00 0.00 O ATOM 1295 CB LEU A 91 -2.235 -7.471 12.447 1.00 0.00 C ATOM 1296 CG LEU A 91 -1.908 -7.651 13.930 1.00 0.00 C ATOM 1297 CD1 LEU A 91 -0.454 -8.059 14.111 1.00 0.00 C ATOM 1298 CD2 LEU A 91 -2.204 -6.372 14.699 1.00 0.00 C ATOM 0 H LEU A 91 -3.959 -7.506 10.027 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.264 -8.032 12.876 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.744 -8.265 11.884 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.806 -6.528 12.108 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.539 -8.446 14.328 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.240 -8.182 15.173 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.273 -9.001 13.593 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.195 -7.287 13.698 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.966 -6.518 15.753 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.599 -5.559 14.299 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.260 -6.122 14.597 1.00 0.00 H new ATOM 1310 N LYS A 92 -5.258 -5.825 11.213 1.00 0.00 N ATOM 1311 CA LYS A 92 -5.860 -4.504 11.063 1.00 0.00 C ATOM 1312 C LYS A 92 -6.450 -4.002 12.381 1.00 0.00 C ATOM 1313 O LYS A 92 -7.476 -4.504 12.839 1.00 0.00 O ATOM 1314 CB LYS A 92 -6.951 -4.544 9.991 1.00 0.00 C ATOM 1315 CG LYS A 92 -7.627 -3.202 9.757 1.00 0.00 C ATOM 1316 CD LYS A 92 -8.966 -3.368 9.056 1.00 0.00 C ATOM 1317 CE LYS A 92 -10.040 -3.857 10.014 1.00 0.00 C ATOM 1318 NZ LYS A 92 -11.269 -4.295 9.296 1.00 0.00 N ATOM 0 H LYS A 92 -5.665 -6.542 10.612 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.073 -3.813 10.760 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.515 -4.889 9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.706 -5.276 10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.775 -2.696 10.711 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.977 -2.566 9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.271 -2.416 8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.862 -4.075 8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.650 -4.686 10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.293 -3.060 10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.976 -4.621 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.657 -3.497 8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.033 -5.073 8.647 1.00 0.00 H new ATOM 1332 N PRO A 93 -5.814 -2.993 13.008 1.00 0.00 N ATOM 1333 CA PRO A 93 -6.288 -2.425 14.266 1.00 0.00 C ATOM 1334 C PRO A 93 -7.346 -1.346 14.048 1.00 0.00 C ATOM 1335 O PRO A 93 -8.367 -1.315 14.736 1.00 0.00 O ATOM 1336 CB PRO A 93 -5.020 -1.822 14.858 1.00 0.00 C ATOM 1337 CG PRO A 93 -4.216 -1.396 13.675 1.00 0.00 C ATOM 1338 CD PRO A 93 -4.584 -2.322 12.538 1.00 0.00 C ATOM 0 HA PRO A 93 -6.769 -3.165 14.905 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.249 -0.976 15.507 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.480 -2.550 15.463 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.432 -0.360 13.414 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.149 -1.455 13.891 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.758 -1.770 11.614 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.790 -3.040 12.335 1.00 0.00 H new ATOM 1346 N GLY A 94 -7.094 -0.464 13.084 1.00 0.00 N ATOM 1347 CA GLY A 94 -8.031 0.604 12.785 1.00 0.00 C ATOM 1348 C GLY A 94 -8.422 0.632 11.320 1.00 0.00 C ATOM 1349 O GLY A 94 -7.780 -0.009 10.488 1.00 0.00 O ATOM 0 H GLY A 94 -6.255 -0.471 12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.926 0.481 13.395 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.587 1.561 13.059 1.00 0.00 H new ATOM 1353 N LYS A 95 -9.472 1.380 11.002 1.00 0.00 N ATOM 1354 CA LYS A 95 -9.941 1.495 9.637 1.00 0.00 C ATOM 1355 C LYS A 95 -10.610 2.846 9.408 1.00 0.00 C ATOM 1356 O LYS A 95 -11.715 2.920 8.870 1.00 0.00 O ATOM 1357 CB LYS A 95 -10.908 0.358 9.301 1.00 0.00 C ATOM 1358 CG LYS A 95 -12.041 0.208 10.303 1.00 0.00 C ATOM 1359 CD LYS A 95 -13.390 0.092 9.610 1.00 0.00 C ATOM 1360 CE LYS A 95 -14.529 0.478 10.539 1.00 0.00 C ATOM 1361 NZ LYS A 95 -14.639 1.954 10.700 1.00 0.00 N ATOM 0 H LYS A 95 -10.014 1.917 11.679 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.078 1.422 8.975 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.330 0.531 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.352 -0.578 9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.870 -0.676 10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.049 1.066 10.975 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.404 0.734 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.534 -0.931 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -15.467 0.085 10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.374 0.017 11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.487 2.180 11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.796 2.313 11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.711 2.401 9.764 1.00 0.00 H new ATOM 1375 N VAL A 96 -9.934 3.910 9.820 1.00 0.00 N ATOM 1376 CA VAL A 96 -10.461 5.256 9.661 1.00 0.00 C ATOM 1377 C VAL A 96 -10.072 5.826 8.307 1.00 0.00 C ATOM 1378 O VAL A 96 -8.945 5.652 7.848 1.00 0.00 O ATOM 1379 CB VAL A 96 -9.958 6.204 10.766 1.00 0.00 C ATOM 1380 CG1 VAL A 96 -10.806 7.466 10.812 1.00 0.00 C ATOM 1381 CG2 VAL A 96 -9.959 5.504 12.117 1.00 0.00 C ATOM 0 H VAL A 96 -9.018 3.866 10.267 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.546 5.181 9.735 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.932 6.489 10.533 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.436 8.124 11.598 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.747 7.979 9.852 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.843 7.200 11.019 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.600 6.191 12.883 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.972 5.185 12.361 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.305 4.633 12.076 1.00 0.00 H new ATOM 1391 N ASP A 97 -11.014 6.502 7.670 1.00 0.00 N ATOM 1392 CA ASP A 97 -10.779 7.091 6.366 1.00 0.00 C ATOM 1393 C ASP A 97 -9.900 8.328 6.473 1.00 0.00 C ATOM 1394 O ASP A 97 -9.914 9.036 7.479 1.00 0.00 O ATOM 1395 CB ASP A 97 -12.107 7.446 5.695 1.00 0.00 C ATOM 1396 CG ASP A 97 -11.920 7.974 4.286 1.00 0.00 C ATOM 1397 OD1 ASP A 97 -11.806 7.151 3.354 1.00 0.00 O ATOM 1398 OD2 ASP A 97 -11.891 9.210 4.114 1.00 0.00 O ATOM 0 H ASP A 97 -11.952 6.656 8.039 1.00 0.00 H new ATOM 0 HA ASP A 97 -10.258 6.355 5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.745 6.562 5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.625 8.194 6.295 1.00 0.00 H new ATOM 1403 N VAL A 98 -9.135 8.571 5.421 1.00 0.00 N ATOM 1404 CA VAL A 98 -8.232 9.714 5.367 1.00 0.00 C ATOM 1405 C VAL A 98 -8.145 10.272 3.952 1.00 0.00 C ATOM 1406 O VAL A 98 -7.507 9.682 3.080 1.00 0.00 O ATOM 1407 CB VAL A 98 -6.819 9.332 5.845 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -5.977 10.576 6.076 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -6.894 8.485 7.107 1.00 0.00 C ATOM 0 H VAL A 98 -9.121 7.987 4.585 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.638 10.476 6.032 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.339 8.740 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.982 10.285 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.895 11.138 5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.449 11.199 6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.886 8.224 7.431 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.393 9.049 7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.456 7.574 6.901 1.00 0.00 H new ATOM 1419 N LYS A 99 -8.791 11.410 3.729 1.00 0.00 N ATOM 1420 CA LYS A 99 -8.788 12.046 2.417 1.00 0.00 C ATOM 1421 C LYS A 99 -7.373 12.425 1.992 1.00 0.00 C ATOM 1422 O LYS A 99 -6.857 13.473 2.379 1.00 0.00 O ATOM 1423 CB LYS A 99 -9.683 13.287 2.431 1.00 0.00 C ATOM 1424 CG LYS A 99 -11.004 13.091 1.703 1.00 0.00 C ATOM 1425 CD LYS A 99 -11.181 14.104 0.583 1.00 0.00 C ATOM 1426 CE LYS A 99 -11.711 15.429 1.109 1.00 0.00 C ATOM 1427 NZ LYS A 99 -13.167 15.365 1.411 1.00 0.00 N ATOM 0 H LYS A 99 -9.324 11.912 4.440 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.179 11.331 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.885 13.568 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.145 14.118 1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.048 12.082 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.828 13.183 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.226 14.266 0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.869 13.706 -0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.165 15.706 2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.527 16.211 0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -13.513 16.315 1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.679 15.011 0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.327 14.723 2.214 1.00 0.00 H new ATOM 1441 N THR A 100 -6.752 11.566 1.191 1.00 0.00 N ATOM 1442 CA THR A 100 -5.397 11.808 0.711 1.00 0.00 C ATOM 1443 C THR A 100 -5.400 12.802 -0.449 1.00 0.00 C ATOM 1444 O THR A 100 -6.457 13.185 -0.948 1.00 0.00 O ATOM 1445 CB THR A 100 -4.754 10.488 0.277 1.00 0.00 C ATOM 1446 OG1 THR A 100 -3.360 10.650 0.068 1.00 0.00 O ATOM 1447 CG2 THR A 100 -5.351 9.910 -0.990 1.00 0.00 C ATOM 0 H THR A 100 -7.166 10.695 0.860 1.00 0.00 H new ATOM 0 HA THR A 100 -4.814 12.239 1.525 1.00 0.00 H new ATOM 0 HB THR A 100 -4.951 9.794 1.094 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.969 9.795 -0.207 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.847 8.976 -1.237 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.413 9.719 -0.838 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.223 10.618 -1.809 1.00 0.00 H new ATOM 1455 N ASP A 101 -4.208 13.215 -0.874 1.00 0.00 N ATOM 1456 CA ASP A 101 -4.074 14.164 -1.974 1.00 0.00 C ATOM 1457 C ASP A 101 -4.850 13.695 -3.202 1.00 0.00 C ATOM 1458 O ASP A 101 -5.373 12.581 -3.229 1.00 0.00 O ATOM 1459 CB ASP A 101 -2.598 14.353 -2.332 1.00 0.00 C ATOM 1460 CG ASP A 101 -1.779 14.855 -1.160 1.00 0.00 C ATOM 1461 OD1 ASP A 101 -1.921 16.044 -0.802 1.00 0.00 O ATOM 1462 OD2 ASP A 101 -0.996 14.061 -0.599 1.00 0.00 O ATOM 0 H ASP A 101 -3.322 12.907 -0.473 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.490 15.117 -1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.187 13.405 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.515 15.059 -3.159 1.00 0.00 H new ATOM 1467 N LYS A 102 -4.920 14.552 -4.215 1.00 0.00 N ATOM 1468 CA LYS A 102 -5.634 14.226 -5.444 1.00 0.00 C ATOM 1469 C LYS A 102 -4.797 13.316 -6.337 1.00 0.00 C ATOM 1470 O LYS A 102 -5.075 12.124 -6.460 1.00 0.00 O ATOM 1471 CB LYS A 102 -6.000 15.506 -6.199 1.00 0.00 C ATOM 1472 CG LYS A 102 -6.988 16.390 -5.454 1.00 0.00 C ATOM 1473 CD LYS A 102 -6.555 17.848 -5.467 1.00 0.00 C ATOM 1474 CE LYS A 102 -6.828 18.498 -6.813 1.00 0.00 C ATOM 1475 NZ LYS A 102 -5.602 18.563 -7.657 1.00 0.00 N ATOM 0 H LYS A 102 -4.491 15.477 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 102 -6.548 13.696 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -5.091 16.075 -6.394 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.423 15.239 -7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.974 16.299 -5.909 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.080 16.046 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.084 18.393 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.491 17.915 -5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.601 17.936 -7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.216 19.505 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.800 19.117 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.835 19.017 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.314 17.600 -7.925 1.00 0.00 H new ATOM 1489 N TRP A 103 -3.773 13.888 -6.963 1.00 0.00 N ATOM 1490 CA TRP A 103 -2.895 13.133 -7.849 1.00 0.00 C ATOM 1491 C TRP A 103 -2.328 11.892 -7.167 1.00 0.00 C ATOM 1492 O TRP A 103 -1.941 10.929 -7.828 1.00 0.00 O ATOM 1493 CB TRP A 103 -1.769 14.024 -8.342 1.00 0.00 C ATOM 1494 CG TRP A 103 -2.093 14.605 -9.660 1.00 0.00 C ATOM 1495 CD1 TRP A 103 -2.297 15.912 -9.949 1.00 0.00 C ATOM 1496 CD2 TRP A 103 -2.290 13.885 -10.879 1.00 0.00 C ATOM 1497 NE1 TRP A 103 -2.595 16.046 -11.269 1.00 0.00 N ATOM 1498 CE2 TRP A 103 -2.593 14.831 -11.858 1.00 0.00 C ATOM 1499 CE3 TRP A 103 -2.232 12.538 -11.238 1.00 0.00 C ATOM 1500 CZ2 TRP A 103 -2.841 14.500 -13.169 1.00 0.00 C ATOM 1501 CZ3 TRP A 103 -2.480 12.195 -12.556 1.00 0.00 C ATOM 1502 CH2 TRP A 103 -2.782 13.177 -13.512 1.00 0.00 C ATOM 0 H TRP A 103 -3.531 14.875 -6.872 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.489 12.795 -8.698 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -1.591 14.823 -7.622 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -0.847 13.446 -8.412 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -2.233 16.724 -9.240 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -2.790 16.929 -11.742 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.999 11.780 -10.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -3.074 15.258 -13.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.441 11.157 -12.853 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.971 12.884 -14.534 1.00 0.00 H new ATOM 1513 N ASP A 104 -2.281 11.924 -5.841 1.00 0.00 N ATOM 1514 CA ASP A 104 -1.761 10.803 -5.066 1.00 0.00 C ATOM 1515 C ASP A 104 -0.292 10.554 -5.390 1.00 0.00 C ATOM 1516 O ASP A 104 0.038 9.671 -6.182 1.00 0.00 O ATOM 1517 CB ASP A 104 -2.578 9.540 -5.343 1.00 0.00 C ATOM 1518 CG ASP A 104 -2.720 8.663 -4.115 1.00 0.00 C ATOM 1519 OD1 ASP A 104 -3.635 8.921 -3.303 1.00 0.00 O ATOM 1520 OD2 ASP A 104 -1.917 7.719 -3.963 1.00 0.00 O ATOM 0 H ASP A 104 -2.597 12.714 -5.279 1.00 0.00 H new ATOM 0 HA ASP A 104 -1.844 11.055 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.568 9.822 -5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.101 8.970 -6.140 1.00 0.00 H new ATOM 1525 N PHE A 105 0.586 11.338 -4.773 1.00 0.00 N ATOM 1526 CA PHE A 105 2.021 11.203 -4.996 1.00 0.00 C ATOM 1527 C PHE A 105 2.371 11.447 -6.461 1.00 0.00 C ATOM 1528 O PHE A 105 1.501 11.403 -7.332 1.00 0.00 O ATOM 1529 CB PHE A 105 2.497 9.813 -4.572 1.00 0.00 C ATOM 1530 CG PHE A 105 3.983 9.725 -4.364 1.00 0.00 C ATOM 1531 CD1 PHE A 105 4.583 10.361 -3.290 1.00 0.00 C ATOM 1532 CD2 PHE A 105 4.777 9.006 -5.243 1.00 0.00 C ATOM 1533 CE1 PHE A 105 5.950 10.281 -3.096 1.00 0.00 C ATOM 1534 CE2 PHE A 105 6.144 8.924 -5.055 1.00 0.00 C ATOM 1535 CZ PHE A 105 6.731 9.563 -3.980 1.00 0.00 C ATOM 0 H PHE A 105 0.329 12.073 -4.115 1.00 0.00 H new ATOM 0 HA PHE A 105 2.528 11.954 -4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.992 9.531 -3.648 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.201 9.089 -5.331 1.00 0.00 H new ATOM 0 HD1 PHE A 105 3.977 10.925 -2.597 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.323 8.504 -6.084 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.406 10.780 -2.254 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.752 8.361 -5.748 1.00 0.00 H new ATOM 0 HZ PHE A 105 7.799 9.501 -3.831 1.00 0.00 H new ATOM 1545 N TYR A 106 3.647 11.702 -6.724 1.00 0.00 N ATOM 1546 CA TYR A 106 4.113 11.951 -8.083 1.00 0.00 C ATOM 1547 C TYR A 106 4.367 10.639 -8.819 1.00 0.00 C ATOM 1548 O TYR A 106 4.184 9.557 -8.260 1.00 0.00 O ATOM 1549 CB TYR A 106 5.389 12.797 -8.061 1.00 0.00 C ATOM 1550 CG TYR A 106 5.279 14.083 -8.848 1.00 0.00 C ATOM 1551 CD1 TYR A 106 4.231 14.968 -8.626 1.00 0.00 C ATOM 1552 CD2 TYR A 106 6.221 14.413 -9.813 1.00 0.00 C ATOM 1553 CE1 TYR A 106 4.126 16.145 -9.342 1.00 0.00 C ATOM 1554 CE2 TYR A 106 6.124 15.589 -10.534 1.00 0.00 C ATOM 1555 CZ TYR A 106 5.075 16.450 -10.296 1.00 0.00 C ATOM 1556 OH TYR A 106 4.975 17.621 -11.010 1.00 0.00 O ATOM 0 H TYR A 106 4.378 11.742 -6.014 1.00 0.00 H new ATOM 0 HA TYR A 106 3.334 12.498 -8.614 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.639 13.034 -7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.213 12.206 -8.461 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.486 14.732 -7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 106 7.044 13.740 -10.004 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.306 16.822 -9.156 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.867 15.831 -11.280 1.00 0.00 H new ATOM 0 HH TYR A 106 5.723 17.685 -11.640 1.00 0.00 H new ATOM 1566 N CYS A 107 4.789 10.743 -10.074 1.00 0.00 N ATOM 1567 CA CYS A 107 5.069 9.563 -10.886 1.00 0.00 C ATOM 1568 C CYS A 107 3.814 8.710 -11.055 1.00 0.00 C ATOM 1569 O CYS A 107 3.323 8.115 -10.097 1.00 0.00 O ATOM 1570 CB CYS A 107 6.186 8.733 -10.247 1.00 0.00 C ATOM 1571 SG CYS A 107 7.750 8.749 -11.180 1.00 0.00 S ATOM 0 H CYS A 107 4.945 11.631 -10.552 1.00 0.00 H new ATOM 0 HA CYS A 107 5.394 9.897 -11.872 1.00 0.00 H new ATOM 0 HB2 CYS A 107 6.372 9.107 -9.240 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.846 7.702 -10.146 1.00 0.00 H new ATOM 1576 N GLN A 108 3.302 8.657 -12.281 1.00 0.00 N ATOM 1577 CA GLN A 108 2.106 7.877 -12.574 1.00 0.00 C ATOM 1578 C GLN A 108 2.017 7.556 -14.063 1.00 0.00 C ATOM 1579 O GLN A 108 2.277 8.466 -14.880 1.00 0.00 O ATOM 1580 CB GLN A 108 0.854 8.636 -12.129 1.00 0.00 C ATOM 1581 CG GLN A 108 -0.373 7.752 -11.982 1.00 0.00 C ATOM 1582 CD GLN A 108 -1.654 8.466 -12.366 1.00 0.00 C ATOM 1583 OE1 GLN A 108 -2.536 8.675 -11.533 1.00 0.00 O ATOM 1584 NE2 GLN A 108 -1.763 8.845 -13.634 1.00 0.00 N ATOM 1585 OXT GLN A 108 1.689 6.400 -14.401 1.00 0.00 O ATOM 0 H GLN A 108 3.696 9.144 -13.086 1.00 0.00 H new ATOM 0 HA GLN A 108 2.170 6.940 -12.021 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.055 9.125 -11.176 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.640 9.423 -12.852 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.255 6.865 -12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.448 7.409 -10.950 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.007 8.651 -14.291 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -2.603 9.330 -13.951 1.00 0.00 H new TER 1594 GLN A 108