USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 565 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 62 GLN : amide:sc= -0.422 X(o=-0.38,f=-0.16) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.0382 X(o=-0.38,f=-0.16) USER MOD Set 2.1: A 46 TYR OH : rot 49:sc= 0.404 USER MOD Set 2.2: A 50 MET CE :methyl 178:sc= -0.334 (180deg=-0.345) USER MOD Set 3.1: A 22 TYR OH : rot 166:sc= 0.288 USER MOD Set 3.2: A 26 GLN : amide:sc= 0.298 X(o=0.59,f=0.33) USER MOD Set 4.1: A 15 THR OG1 : rot -76:sc= 0.998 USER MOD Set 4.2: A 42 GLN : amide:sc= -0.288 K(o=0.71,f=0.12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.0155) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 3 GLN : amide:sc=-0.00249 K(o=-0.0025,f=-1.1) USER MOD Single : A 4 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0123) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0.388 K(o=0.39,f=-1.2) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.58 K(o=-0.58,f=-2.1) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 21 GLN : amide:sc= -0.0996 X(o=-0.1,f=-0.1) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0355 K(o=-0.035,f=-0.6) USER MOD Single : A 34 GLN : amide:sc= 0.716 K(o=0.72,f=-0.58) USER MOD Single : A 35 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.18) USER MOD Single : A 40 GLN : amide:sc= 0.469 K(o=0.47,f=-2.9!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 45 HIS : no HE2:sc= 1.09 K(o=1.1,f=-3.9!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0548 X(o=-0.055,f=-0.33) USER MOD Single : A 52 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.16) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc=-0.00354 X(o=-0.0035,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.31) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 66 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.826 -11.162 -5.128 1.00 25.00 N ATOM 2 CA MET A 1 4.118 -9.830 -5.158 1.00 25.00 C ATOM 3 C MET A 1 4.891 -8.750 -5.894 1.00 25.00 C ATOM 4 O MET A 1 6.069 -8.530 -5.759 1.00 25.00 O ATOM 5 CB MET A 1 3.766 -9.332 -3.738 1.00 25.00 C ATOM 6 CG MET A 1 2.710 -10.250 -3.092 1.00 25.00 C ATOM 7 SD MET A 1 2.113 -9.518 -1.542 1.00 25.00 S ATOM 8 CE MET A 1 0.984 -10.820 -0.937 1.00 25.00 C ATOM 0 H1 MET A 1 4.223 -11.865 -4.656 1.00 25.00 H new ATOM 0 H2 MET A 1 5.023 -11.472 -6.101 1.00 25.00 H new ATOM 0 H3 MET A 1 5.721 -11.068 -4.606 1.00 25.00 H new ATOM 0 HA MET A 1 3.199 -10.015 -5.714 1.00 25.00 H new ATOM 0 HB2 MET A 1 4.664 -9.310 -3.121 1.00 25.00 H new ATOM 0 HB3 MET A 1 3.388 -8.311 -3.787 1.00 25.00 H new ATOM 0 HG2 MET A 1 1.876 -10.398 -3.778 1.00 25.00 H new ATOM 0 HG3 MET A 1 3.141 -11.232 -2.897 1.00 25.00 H new ATOM 0 HE1 MET A 1 0.543 -10.508 0.010 1.00 25.00 H new ATOM 0 HE2 MET A 1 0.193 -10.985 -1.669 1.00 25.00 H new ATOM 0 HE3 MET A 1 1.541 -11.745 -0.790 1.00 25.00 H new ATOM 19 N GLN A 2 4.131 -7.958 -6.650 1.00 25.00 N ATOM 20 CA GLN A 2 4.637 -6.735 -7.262 1.00 25.00 C ATOM 21 C GLN A 2 4.106 -5.570 -6.447 1.00 25.00 C ATOM 22 O GLN A 2 2.984 -5.617 -5.954 1.00 25.00 O ATOM 23 CB GLN A 2 4.162 -6.559 -8.704 1.00 25.00 C ATOM 24 CG GLN A 2 4.851 -7.454 -9.725 1.00 25.00 C ATOM 25 CD GLN A 2 4.284 -7.257 -11.125 1.00 25.00 C ATOM 26 OE1 GLN A 2 4.008 -6.148 -11.562 1.00 25.00 O ATOM 27 NE2 GLN A 2 4.082 -8.343 -11.821 1.00 25.00 N ATOM 0 H GLN A 2 3.150 -8.148 -6.854 1.00 25.00 H new ATOM 0 HA GLN A 2 5.726 -6.783 -7.276 1.00 25.00 H new ATOM 0 HB2 GLN A 2 3.089 -6.749 -8.743 1.00 25.00 H new ATOM 0 HB3 GLN A 2 4.312 -5.519 -8.995 1.00 25.00 H new ATOM 0 HG2 GLN A 2 5.920 -7.241 -9.733 1.00 25.00 H new ATOM 0 HG3 GLN A 2 4.736 -8.497 -9.430 1.00 25.00 H new ATOM 0 HE21 GLN A 2 4.323 -9.253 -11.428 1.00 25.00 H new ATOM 0 HE22 GLN A 2 3.683 -8.282 -12.758 1.00 25.00 H new ATOM 36 N GLN A 3 4.906 -4.519 -6.332 1.00 25.00 N ATOM 37 CA GLN A 3 4.536 -3.344 -5.552 1.00 25.00 C ATOM 38 C GLN A 3 5.111 -2.092 -6.202 1.00 25.00 C ATOM 39 O GLN A 3 6.006 -2.194 -7.017 1.00 25.00 O ATOM 40 CB GLN A 3 5.071 -3.468 -4.130 1.00 25.00 C ATOM 41 CG GLN A 3 6.563 -3.855 -4.061 1.00 25.00 C ATOM 42 CD GLN A 3 7.128 -3.757 -2.638 1.00 25.00 C ATOM 43 OE1 GLN A 3 6.676 -2.953 -1.842 1.00 25.00 O ATOM 44 NE2 GLN A 3 8.129 -4.552 -2.348 1.00 25.00 N ATOM 0 H GLN A 3 5.824 -4.456 -6.773 1.00 25.00 H new ATOM 0 HA GLN A 3 3.449 -3.272 -5.520 1.00 25.00 H new ATOM 0 HB2 GLN A 3 4.926 -2.520 -3.613 1.00 25.00 H new ATOM 0 HB3 GLN A 3 4.486 -4.216 -3.595 1.00 25.00 H new ATOM 0 HG2 GLN A 3 6.689 -4.873 -4.429 1.00 25.00 H new ATOM 0 HG3 GLN A 3 7.135 -3.204 -4.722 1.00 25.00 H new ATOM 0 HE21 GLN A 3 8.476 -5.211 -3.045 1.00 25.00 H new ATOM 0 HE22 GLN A 3 8.561 -4.512 -1.425 1.00 25.00 H new ATOM 53 N LYS A 4 4.550 -0.942 -5.825 1.00 25.00 N ATOM 54 CA LYS A 4 4.841 0.385 -6.398 1.00 25.00 C ATOM 55 C LYS A 4 4.448 0.551 -7.867 1.00 25.00 C ATOM 56 O LYS A 4 3.742 1.494 -8.203 1.00 25.00 O ATOM 57 CB LYS A 4 6.311 0.813 -6.151 1.00 25.00 C ATOM 58 CG LYS A 4 6.730 0.864 -4.680 1.00 25.00 C ATOM 59 CD LYS A 4 8.162 1.386 -4.564 1.00 25.00 C ATOM 60 CE LYS A 4 8.678 1.370 -3.146 1.00 25.00 C ATOM 61 NZ LYS A 4 7.887 2.232 -2.230 1.00 25.00 N ATOM 0 H LYS A 4 3.852 -0.902 -5.083 1.00 25.00 H new ATOM 0 HA LYS A 4 4.188 1.067 -5.853 1.00 25.00 H new ATOM 0 HB2 LYS A 4 6.969 0.121 -6.677 1.00 25.00 H new ATOM 0 HB3 LYS A 4 6.466 1.798 -6.592 1.00 25.00 H new ATOM 0 HG2 LYS A 4 6.052 1.510 -4.122 1.00 25.00 H new ATOM 0 HG3 LYS A 4 6.659 -0.130 -4.238 1.00 25.00 H new ATOM 0 HD2 LYS A 4 8.816 0.780 -5.191 1.00 25.00 H new ATOM 0 HD3 LYS A 4 8.205 2.405 -4.950 1.00 25.00 H new ATOM 0 HE2 LYS A 4 8.666 0.346 -2.773 1.00 25.00 H new ATOM 0 HE3 LYS A 4 9.717 1.700 -3.140 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 8.328 2.234 -1.288 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 7.862 3.203 -2.602 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 6.917 1.863 -2.158 1.00 25.00 H new ATOM 75 N GLN A 5 4.777 -0.429 -8.689 1.00 25.00 N ATOM 76 CA GLN A 5 4.347 -0.485 -10.090 1.00 25.00 C ATOM 77 C GLN A 5 2.818 -0.679 -10.177 1.00 25.00 C ATOM 78 O GLN A 5 2.200 -0.276 -11.131 1.00 25.00 O ATOM 79 CB GLN A 5 5.059 -1.644 -10.793 1.00 25.00 C ATOM 80 CG GLN A 5 6.556 -1.408 -10.871 1.00 25.00 C ATOM 81 CD GLN A 5 7.294 -2.560 -11.514 1.00 25.00 C ATOM 82 OE1 GLN A 5 7.452 -3.595 -10.898 1.00 25.00 O ATOM 83 NE2 GLN A 5 7.708 -2.395 -12.732 1.00 25.00 N ATOM 0 H GLN A 5 5.356 -1.220 -8.408 1.00 25.00 H new ATOM 0 HA GLN A 5 4.605 0.454 -10.579 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.863 -2.572 -10.257 1.00 25.00 H new ATOM 0 HB3 GLN A 5 4.655 -1.765 -11.798 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.747 -0.497 -11.438 1.00 25.00 H new ATOM 0 HG3 GLN A 5 6.947 -1.246 -9.867 1.00 25.00 H new ATOM 0 HE21 GLN A 5 7.552 -1.506 -13.208 1.00 25.00 H new ATOM 0 HE22 GLN A 5 8.190 -3.154 -13.214 1.00 25.00 H new ATOM 92 N GLN A 6 2.224 -1.217 -9.110 1.00 25.00 N ATOM 93 CA GLN A 6 0.778 -1.333 -8.985 1.00 25.00 C ATOM 94 C GLN A 6 0.141 0.052 -9.081 1.00 25.00 C ATOM 95 O GLN A 6 -0.892 0.258 -9.690 1.00 25.00 O ATOM 96 CB GLN A 6 0.395 -1.949 -7.634 1.00 25.00 C ATOM 97 CG GLN A 6 0.965 -3.354 -7.392 1.00 25.00 C ATOM 98 CD GLN A 6 0.254 -4.454 -8.149 1.00 25.00 C ATOM 99 OE1 GLN A 6 -0.603 -4.209 -8.964 1.00 25.00 O ATOM 100 NE2 GLN A 6 0.615 -5.686 -7.861 1.00 25.00 N ATOM 0 H GLN A 6 2.737 -1.584 -8.309 1.00 25.00 H new ATOM 0 HA GLN A 6 0.420 -1.975 -9.789 1.00 25.00 H new ATOM 0 HB2 GLN A 6 0.738 -1.289 -6.837 1.00 25.00 H new ATOM 0 HB3 GLN A 6 -0.692 -1.994 -7.564 1.00 25.00 H new ATOM 0 HG2 GLN A 6 2.018 -3.359 -7.672 1.00 25.00 H new ATOM 0 HG3 GLN A 6 0.917 -3.574 -6.325 1.00 25.00 H new ATOM 0 HE21 GLN A 6 1.343 -5.855 -7.167 1.00 25.00 H new ATOM 0 HE22 GLN A 6 0.167 -6.472 -8.332 1.00 25.00 H new ATOM 109 N ILE A 7 0.818 1.009 -8.452 1.00 25.00 N ATOM 110 CA ILE A 7 0.335 2.394 -8.394 1.00 25.00 C ATOM 111 C ILE A 7 0.540 3.003 -9.788 1.00 25.00 C ATOM 112 O ILE A 7 -0.300 3.727 -10.289 1.00 25.00 O ATOM 113 CB ILE A 7 1.122 3.239 -7.317 1.00 25.00 C ATOM 114 CG1 ILE A 7 1.136 2.471 -5.971 1.00 25.00 C ATOM 115 CG2 ILE A 7 0.486 4.634 -7.178 1.00 25.00 C ATOM 116 CD1 ILE A 7 2.035 3.115 -4.888 1.00 25.00 C ATOM 0 H ILE A 7 1.705 0.855 -7.973 1.00 25.00 H new ATOM 0 HA ILE A 7 -0.716 2.407 -8.104 1.00 25.00 H new ATOM 0 HB ILE A 7 2.155 3.382 -7.634 1.00 25.00 H new ATOM 0 HG12 ILE A 7 0.117 2.406 -5.591 1.00 25.00 H new ATOM 0 HG13 ILE A 7 1.475 1.451 -6.150 1.00 25.00 H new ATOM 0 HG21 ILE A 7 1.034 5.211 -6.433 1.00 25.00 H new ATOM 0 HG22 ILE A 7 0.526 5.149 -8.138 1.00 25.00 H new ATOM 0 HG23 ILE A 7 -0.553 4.531 -6.864 1.00 25.00 H new ATOM 0 HD11 ILE A 7 1.991 2.519 -3.977 1.00 25.00 H new ATOM 0 HD12 ILE A 7 3.064 3.155 -5.246 1.00 25.00 H new ATOM 0 HD13 ILE A 7 1.684 4.125 -4.678 1.00 25.00 H new ATOM 128 N MET A 8 1.622 2.636 -10.468 1.00 25.00 N ATOM 129 CA MET A 8 1.854 3.138 -11.808 1.00 25.00 C ATOM 130 C MET A 8 0.794 2.662 -12.784 1.00 25.00 C ATOM 131 O MET A 8 0.272 3.438 -13.552 1.00 25.00 O ATOM 132 CB MET A 8 3.237 2.726 -12.322 1.00 25.00 C ATOM 133 CG MET A 8 4.356 3.247 -11.458 1.00 25.00 C ATOM 134 SD MET A 8 6.002 2.771 -12.085 1.00 25.00 S ATOM 135 CE MET A 8 6.337 4.100 -13.219 1.00 25.00 C ATOM 0 H MET A 8 2.339 2.002 -10.116 1.00 25.00 H new ATOM 0 HA MET A 8 1.802 4.225 -11.744 1.00 25.00 H new ATOM 0 HB2 MET A 8 3.294 1.638 -12.367 1.00 25.00 H new ATOM 0 HB3 MET A 8 3.367 3.095 -13.339 1.00 25.00 H new ATOM 0 HG2 MET A 8 4.292 4.334 -11.403 1.00 25.00 H new ATOM 0 HG3 MET A 8 4.234 2.868 -10.443 1.00 25.00 H new ATOM 0 HE1 MET A 8 7.312 3.947 -13.681 1.00 25.00 H new ATOM 0 HE2 MET A 8 5.568 4.121 -13.992 1.00 25.00 H new ATOM 0 HE3 MET A 8 6.336 5.047 -12.680 1.00 25.00 H new ATOM 145 N ALA A 9 0.423 1.400 -12.706 1.00 25.00 N ATOM 146 CA ALA A 9 -0.614 0.864 -13.549 1.00 25.00 C ATOM 147 C ALA A 9 -1.928 1.629 -13.335 1.00 25.00 C ATOM 148 O ALA A 9 -2.581 1.983 -14.308 1.00 25.00 O ATOM 149 CB ALA A 9 -0.803 -0.621 -13.275 1.00 25.00 C ATOM 0 H ALA A 9 0.832 0.725 -12.060 1.00 25.00 H new ATOM 0 HA ALA A 9 -0.315 0.985 -14.590 1.00 25.00 H new ATOM 0 HB1 ALA A 9 -1.590 -1.013 -13.919 1.00 25.00 H new ATOM 0 HB2 ALA A 9 0.128 -1.150 -13.477 1.00 25.00 H new ATOM 0 HB3 ALA A 9 -1.083 -0.766 -12.232 1.00 25.00 H new ATOM 155 N ALA A 10 -2.282 1.918 -12.090 1.00 25.00 N ATOM 156 CA ALA A 10 -3.510 2.644 -11.792 1.00 25.00 C ATOM 157 C ALA A 10 -3.450 4.065 -12.405 1.00 25.00 C ATOM 158 O ALA A 10 -4.412 4.530 -13.041 1.00 25.00 O ATOM 159 CB ALA A 10 -3.721 2.737 -10.245 1.00 25.00 C ATOM 0 H ALA A 10 -1.735 1.660 -11.268 1.00 25.00 H new ATOM 0 HA ALA A 10 -4.350 2.105 -12.230 1.00 25.00 H new ATOM 0 HB1 ALA A 10 -4.642 3.282 -10.035 1.00 25.00 H new ATOM 0 HB2 ALA A 10 -3.790 1.733 -9.826 1.00 25.00 H new ATOM 0 HB3 ALA A 10 -2.879 3.261 -9.794 1.00 25.00 H new ATOM 165 N LEU A 11 -2.335 4.748 -12.203 1.00 25.00 N ATOM 166 CA LEU A 11 -2.181 6.124 -12.702 1.00 25.00 C ATOM 167 C LEU A 11 -2.145 6.154 -14.214 1.00 25.00 C ATOM 168 O LEU A 11 -2.692 7.058 -14.842 1.00 25.00 O ATOM 169 CB LEU A 11 -0.906 6.780 -12.143 1.00 25.00 C ATOM 170 CG LEU A 11 -0.869 7.018 -10.612 1.00 25.00 C ATOM 171 CD1 LEU A 11 0.505 7.445 -10.187 1.00 25.00 C ATOM 172 CD2 LEU A 11 -1.877 8.062 -10.162 1.00 25.00 C ATOM 0 H LEU A 11 -1.524 4.385 -11.702 1.00 25.00 H new ATOM 0 HA LEU A 11 -3.047 6.690 -12.358 1.00 25.00 H new ATOM 0 HB2 LEU A 11 -0.054 6.156 -12.413 1.00 25.00 H new ATOM 0 HB3 LEU A 11 -0.769 7.740 -12.642 1.00 25.00 H new ATOM 0 HG LEU A 11 -1.133 6.072 -10.140 1.00 25.00 H new ATOM 0 HD11 LEU A 11 0.518 7.609 -9.109 1.00 25.00 H new ATOM 0 HD12 LEU A 11 1.224 6.667 -10.444 1.00 25.00 H new ATOM 0 HD13 LEU A 11 0.773 8.370 -10.698 1.00 25.00 H new ATOM 0 HD21 LEU A 11 -1.810 8.191 -9.082 1.00 25.00 H new ATOM 0 HD22 LEU A 11 -1.663 9.011 -10.654 1.00 25.00 H new ATOM 0 HD23 LEU A 11 -2.882 7.735 -10.427 1.00 25.00 H new ATOM 184 N ASN A 12 -1.518 5.152 -14.810 1.00 25.00 N ATOM 185 CA ASN A 12 -1.417 5.090 -16.264 1.00 25.00 C ATOM 186 C ASN A 12 -2.804 4.899 -16.882 1.00 25.00 C ATOM 187 O ASN A 12 -3.129 5.512 -17.881 1.00 25.00 O ATOM 188 CB ASN A 12 -0.504 3.942 -16.701 1.00 25.00 C ATOM 189 CG ASN A 12 0.912 4.145 -16.261 1.00 25.00 C ATOM 190 OD1 ASN A 12 1.281 5.181 -15.766 1.00 25.00 O ATOM 191 ND2 ASN A 12 1.737 3.143 -16.482 1.00 25.00 N ATOM 0 H ASN A 12 -1.075 4.377 -14.318 1.00 25.00 H new ATOM 0 HA ASN A 12 -0.989 6.030 -16.611 1.00 25.00 H new ATOM 0 HB2 ASN A 12 -0.879 3.005 -16.290 1.00 25.00 H new ATOM 0 HB3 ASN A 12 -0.535 3.849 -17.787 1.00 25.00 H new ATOM 0 HD21 ASN A 12 2.722 3.229 -16.233 1.00 25.00 H new ATOM 0 HD22 ASN A 12 1.391 2.281 -16.903 1.00 25.00 H new ATOM 198 N SER A 13 -3.624 4.076 -16.231 1.00 25.00 N ATOM 199 CA SER A 13 -4.988 3.860 -16.678 1.00 25.00 C ATOM 200 C SER A 13 -5.780 5.157 -16.640 1.00 25.00 C ATOM 201 O SER A 13 -6.480 5.519 -17.597 1.00 25.00 O ATOM 202 CB SER A 13 -5.675 2.826 -15.755 1.00 25.00 C ATOM 203 OG SER A 13 -7.026 2.615 -16.141 1.00 25.00 O ATOM 0 H SER A 13 -3.364 3.552 -15.396 1.00 25.00 H new ATOM 0 HA SER A 13 -4.960 3.492 -17.704 1.00 25.00 H new ATOM 0 HB2 SER A 13 -5.131 1.882 -15.793 1.00 25.00 H new ATOM 0 HB3 SER A 13 -5.638 3.174 -14.723 1.00 25.00 H new ATOM 0 HG SER A 13 -7.438 1.956 -15.543 1.00 25.00 H new ATOM 209 N GLN A 14 -5.648 5.892 -15.547 1.00 25.00 N ATOM 210 CA GLN A 14 -6.383 7.155 -15.351 1.00 25.00 C ATOM 211 C GLN A 14 -5.980 8.250 -16.339 1.00 25.00 C ATOM 212 O GLN A 14 -6.743 9.172 -16.571 1.00 25.00 O ATOM 213 CB GLN A 14 -6.143 7.679 -13.926 1.00 25.00 C ATOM 214 CG GLN A 14 -6.866 6.883 -12.841 1.00 25.00 C ATOM 215 CD GLN A 14 -8.196 7.504 -12.428 1.00 25.00 C ATOM 216 OE1 GLN A 14 -8.268 8.656 -12.020 1.00 25.00 O ATOM 217 NE2 GLN A 14 -9.260 6.744 -12.526 1.00 25.00 N ATOM 0 H GLN A 14 -5.036 5.642 -14.770 1.00 25.00 H new ATOM 0 HA GLN A 14 -7.435 6.925 -15.520 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -5.073 7.665 -13.720 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -6.464 8.719 -13.874 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -7.041 5.869 -13.199 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -6.221 6.805 -11.966 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -9.174 5.787 -12.869 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -10.174 7.110 -12.259 1.00 25.00 H new ATOM 226 N THR A 15 -4.769 8.172 -16.883 1.00 25.00 N ATOM 227 CA THR A 15 -4.254 9.233 -17.762 1.00 25.00 C ATOM 228 C THR A 15 -4.024 8.771 -19.186 1.00 25.00 C ATOM 229 O THR A 15 -3.512 9.534 -20.002 1.00 25.00 O ATOM 230 CB THR A 15 -2.892 9.750 -17.206 1.00 25.00 C ATOM 231 OG1 THR A 15 -2.006 8.625 -17.090 1.00 25.00 O ATOM 232 CG2 THR A 15 -3.036 10.378 -15.823 1.00 25.00 C ATOM 0 H THR A 15 -4.126 7.394 -16.736 1.00 25.00 H new ATOM 0 HA THR A 15 -5.014 10.015 -17.778 1.00 25.00 H new ATOM 0 HB THR A 15 -2.512 10.511 -17.888 1.00 25.00 H new ATOM 0 HG1 THR A 15 -2.255 8.092 -16.306 1.00 25.00 H new ATOM 0 HG21 THR A 15 -2.062 10.723 -15.477 1.00 25.00 H new ATOM 0 HG22 THR A 15 -3.722 11.223 -15.877 1.00 25.00 H new ATOM 0 HG23 THR A 15 -3.427 9.637 -15.126 1.00 25.00 H new ATOM 240 N ALA A 16 -4.414 7.542 -19.509 1.00 25.00 N ATOM 241 CA ALA A 16 -4.124 6.965 -20.839 1.00 25.00 C ATOM 242 C ALA A 16 -4.490 7.886 -22.004 1.00 25.00 C ATOM 243 O ALA A 16 -3.612 8.346 -22.718 1.00 25.00 O ATOM 244 CB ALA A 16 -4.833 5.590 -20.983 1.00 25.00 C ATOM 0 H ALA A 16 -4.928 6.923 -18.882 1.00 25.00 H new ATOM 0 HA ALA A 16 -3.043 6.835 -20.894 1.00 25.00 H new ATOM 0 HB1 ALA A 16 -4.616 5.170 -21.965 1.00 25.00 H new ATOM 0 HB2 ALA A 16 -4.472 4.912 -20.210 1.00 25.00 H new ATOM 0 HB3 ALA A 16 -5.910 5.723 -20.875 1.00 25.00 H new ATOM 250 N VAL A 17 -5.779 8.130 -22.186 1.00 25.00 N ATOM 251 CA VAL A 17 -6.262 8.967 -23.296 1.00 25.00 C ATOM 252 C VAL A 17 -5.878 10.434 -23.062 1.00 25.00 C ATOM 253 O VAL A 17 -5.706 11.198 -23.994 1.00 25.00 O ATOM 254 CB VAL A 17 -7.791 8.794 -23.511 1.00 25.00 C ATOM 255 CG1 VAL A 17 -8.589 9.432 -22.366 1.00 25.00 C ATOM 256 CG2 VAL A 17 -8.225 9.360 -24.863 1.00 25.00 C ATOM 0 H VAL A 17 -6.517 7.764 -21.584 1.00 25.00 H new ATOM 0 HA VAL A 17 -5.777 8.637 -24.215 1.00 25.00 H new ATOM 0 HB VAL A 17 -8.006 7.725 -23.511 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -9.655 9.295 -22.545 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -8.315 8.958 -21.423 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -8.364 10.497 -22.315 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -9.300 9.225 -24.986 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -7.985 10.422 -24.906 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -7.700 8.837 -25.662 1.00 25.00 H new ATOM 266 N GLN A 18 -5.747 10.809 -21.803 1.00 25.00 N ATOM 267 CA GLN A 18 -5.425 12.183 -21.449 1.00 25.00 C ATOM 268 C GLN A 18 -4.055 12.601 -21.994 1.00 25.00 C ATOM 269 O GLN A 18 -3.929 13.616 -22.693 1.00 25.00 O ATOM 270 CB GLN A 18 -5.467 12.344 -19.919 1.00 25.00 C ATOM 271 CG GLN A 18 -6.155 13.600 -19.428 1.00 25.00 C ATOM 272 CD GLN A 18 -5.337 14.861 -19.771 1.00 25.00 C ATOM 273 OE1 GLN A 18 -4.137 14.918 -19.565 1.00 25.00 O ATOM 274 NE2 GLN A 18 -5.998 15.844 -20.310 1.00 25.00 N ATOM 0 H GLN A 18 -5.858 10.182 -21.006 1.00 25.00 H new ATOM 0 HA GLN A 18 -6.169 12.837 -21.905 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -5.974 11.479 -19.491 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -4.445 12.335 -19.539 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -7.145 13.674 -19.878 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -6.298 13.540 -18.349 1.00 25.00 H new ATOM 0 HE21 GLN A 18 -7.002 15.758 -20.466 1.00 25.00 H new ATOM 0 HE22 GLN A 18 -5.512 16.700 -20.576 1.00 25.00 H new ATOM 283 N PHE A 19 -3.051 11.778 -21.749 1.00 25.00 N ATOM 284 CA PHE A 19 -1.721 12.048 -22.249 1.00 25.00 C ATOM 285 C PHE A 19 -1.599 11.604 -23.710 1.00 25.00 C ATOM 286 O PHE A 19 -0.775 12.131 -24.439 1.00 25.00 O ATOM 287 CB PHE A 19 -0.653 11.337 -21.398 1.00 25.00 C ATOM 288 CG PHE A 19 -0.571 11.818 -19.963 1.00 25.00 C ATOM 289 CD1 PHE A 19 -1.168 13.035 -19.553 1.00 25.00 C ATOM 290 CD2 PHE A 19 0.149 11.072 -19.018 1.00 25.00 C ATOM 291 CE1 PHE A 19 -1.053 13.487 -18.212 1.00 25.00 C ATOM 292 CE2 PHE A 19 0.286 11.514 -17.682 1.00 25.00 C ATOM 293 CZ PHE A 19 -0.338 12.732 -17.271 1.00 25.00 C ATOM 0 H PHE A 19 -3.134 10.918 -21.207 1.00 25.00 H new ATOM 0 HA PHE A 19 -1.553 13.123 -22.186 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -0.860 10.267 -21.398 1.00 25.00 H new ATOM 0 HB3 PHE A 19 0.320 11.474 -21.870 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -1.718 13.627 -20.270 1.00 25.00 H new ATOM 0 HD2 PHE A 19 0.608 10.141 -19.317 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -1.518 14.416 -17.916 1.00 25.00 H new ATOM 0 HE2 PHE A 19 0.860 10.933 -16.975 1.00 25.00 H new ATOM 0 HZ PHE A 19 -0.260 13.067 -16.247 1.00 25.00 H new ATOM 303 N GLN A 20 -2.474 10.713 -24.161 1.00 25.00 N ATOM 304 CA GLN A 20 -2.457 10.308 -25.570 1.00 25.00 C ATOM 305 C GLN A 20 -2.687 11.494 -26.523 1.00 25.00 C ATOM 306 O GLN A 20 -2.016 11.590 -27.535 1.00 25.00 O ATOM 307 CB GLN A 20 -3.487 9.211 -25.846 1.00 25.00 C ATOM 308 CG GLN A 20 -3.449 8.624 -27.258 1.00 25.00 C ATOM 309 CD GLN A 20 -4.497 7.530 -27.431 1.00 25.00 C ATOM 310 OE1 GLN A 20 -5.630 7.676 -27.009 1.00 25.00 O ATOM 311 NE2 GLN A 20 -4.102 6.421 -27.998 1.00 25.00 N ATOM 0 H GLN A 20 -3.190 10.263 -23.591 1.00 25.00 H new ATOM 0 HA GLN A 20 -1.459 9.913 -25.763 1.00 25.00 H new ATOM 0 HB2 GLN A 20 -3.335 8.404 -25.130 1.00 25.00 H new ATOM 0 HB3 GLN A 20 -4.483 9.615 -25.664 1.00 25.00 H new ATOM 0 HG2 GLN A 20 -3.622 9.415 -27.988 1.00 25.00 H new ATOM 0 HG3 GLN A 20 -2.458 8.216 -27.458 1.00 25.00 H new ATOM 0 HE21 GLN A 20 -3.145 6.336 -28.340 1.00 25.00 H new ATOM 0 HE22 GLN A 20 -4.751 5.641 -28.099 1.00 25.00 H new ATOM 320 N GLN A 21 -3.609 12.405 -26.193 1.00 25.00 N ATOM 321 CA GLN A 21 -3.874 13.560 -27.051 1.00 25.00 C ATOM 322 C GLN A 21 -2.702 14.548 -27.032 1.00 25.00 C ATOM 323 O GLN A 21 -2.347 15.116 -28.047 1.00 25.00 O ATOM 324 CB GLN A 21 -5.142 14.278 -26.622 1.00 25.00 C ATOM 325 CG GLN A 21 -6.412 13.391 -26.624 1.00 25.00 C ATOM 326 CD GLN A 21 -6.613 12.633 -27.895 1.00 25.00 C ATOM 327 OE1 GLN A 21 -6.597 13.178 -28.975 1.00 25.00 O ATOM 328 NE2 GLN A 21 -6.818 11.341 -27.776 1.00 25.00 N ATOM 0 H GLN A 21 -4.178 12.365 -25.347 1.00 25.00 H new ATOM 0 HA GLN A 21 -4.002 13.183 -28.066 1.00 25.00 H new ATOM 0 HB2 GLN A 21 -4.996 14.680 -25.619 1.00 25.00 H new ATOM 0 HB3 GLN A 21 -5.306 15.127 -27.285 1.00 25.00 H new ATOM 0 HG2 GLN A 21 -6.353 12.685 -25.796 1.00 25.00 H new ATOM 0 HG3 GLN A 21 -7.284 14.020 -26.445 1.00 25.00 H new ATOM 0 HE21 GLN A 21 -6.826 10.909 -26.852 1.00 25.00 H new ATOM 0 HE22 GLN A 21 -6.969 10.770 -28.608 1.00 25.00 H new ATOM 337 N TYR A 22 -2.040 14.670 -25.899 1.00 25.00 N ATOM 338 CA TYR A 22 -0.863 15.524 -25.819 1.00 25.00 C ATOM 339 C TYR A 22 0.272 14.937 -26.655 1.00 25.00 C ATOM 340 O TYR A 22 0.988 15.660 -27.331 1.00 25.00 O ATOM 341 CB TYR A 22 -0.399 15.649 -24.371 1.00 25.00 C ATOM 342 CG TYR A 22 0.931 16.363 -24.256 1.00 25.00 C ATOM 343 CD1 TYR A 22 1.000 17.772 -24.350 1.00 25.00 C ATOM 344 CD2 TYR A 22 2.112 15.641 -24.061 1.00 25.00 C ATOM 345 CE1 TYR A 22 2.243 18.443 -24.250 1.00 25.00 C ATOM 346 CE2 TYR A 22 3.370 16.310 -23.961 1.00 25.00 C ATOM 347 CZ TYR A 22 3.415 17.712 -24.056 1.00 25.00 C ATOM 348 OH TYR A 22 4.630 18.367 -23.979 1.00 25.00 O ATOM 0 H TYR A 22 -2.289 14.198 -25.030 1.00 25.00 H new ATOM 0 HA TYR A 22 -1.128 16.509 -26.203 1.00 25.00 H new ATOM 0 HB2 TYR A 22 -1.151 16.190 -23.796 1.00 25.00 H new ATOM 0 HB3 TYR A 22 -0.315 14.655 -23.931 1.00 25.00 H new ATOM 0 HD1 TYR A 22 0.095 18.343 -24.500 1.00 25.00 H new ATOM 0 HD2 TYR A 22 2.073 14.564 -23.985 1.00 25.00 H new ATOM 0 HE1 TYR A 22 2.283 19.520 -24.324 1.00 25.00 H new ATOM 0 HE2 TYR A 22 4.278 15.744 -23.814 1.00 25.00 H new ATOM 0 HH TYR A 22 5.309 17.756 -23.625 1.00 25.00 H new ATOM 358 N ALA A 23 0.411 13.623 -26.600 1.00 25.00 N ATOM 359 CA ALA A 23 1.438 12.934 -27.372 1.00 25.00 C ATOM 360 C ALA A 23 1.171 13.143 -28.881 1.00 25.00 C ATOM 361 O ALA A 23 2.081 13.341 -29.670 1.00 25.00 O ATOM 362 CB ALA A 23 1.476 11.428 -27.017 1.00 25.00 C ATOM 0 H ALA A 23 -0.172 13.010 -26.030 1.00 25.00 H new ATOM 0 HA ALA A 23 2.414 13.352 -27.124 1.00 25.00 H new ATOM 0 HB1 ALA A 23 2.250 10.935 -27.605 1.00 25.00 H new ATOM 0 HB2 ALA A 23 1.696 11.310 -25.956 1.00 25.00 H new ATOM 0 HB3 ALA A 23 0.509 10.977 -27.239 1.00 25.00 H new ATOM 368 N ALA A 24 -0.093 13.138 -29.266 1.00 25.00 N ATOM 369 CA ALA A 24 -0.469 13.359 -30.655 1.00 25.00 C ATOM 370 C ALA A 24 -0.119 14.789 -31.102 1.00 25.00 C ATOM 371 O ALA A 24 0.159 15.022 -32.268 1.00 25.00 O ATOM 372 CB ALA A 24 -1.936 13.094 -30.846 1.00 25.00 C ATOM 0 H ALA A 24 -0.880 12.983 -28.636 1.00 25.00 H new ATOM 0 HA ALA A 24 0.098 12.664 -31.275 1.00 25.00 H new ATOM 0 HB1 ALA A 24 -2.203 13.263 -31.889 1.00 25.00 H new ATOM 0 HB2 ALA A 24 -2.157 12.061 -30.578 1.00 25.00 H new ATOM 0 HB3 ALA A 24 -2.513 13.766 -30.210 1.00 25.00 H new ATOM 378 N GLN A 25 -0.081 15.724 -30.157 1.00 25.00 N ATOM 379 CA GLN A 25 0.241 17.135 -30.468 1.00 25.00 C ATOM 380 C GLN A 25 1.754 17.389 -30.547 1.00 25.00 C ATOM 381 O GLN A 25 2.189 18.467 -30.933 1.00 25.00 O ATOM 382 CB GLN A 25 -0.351 18.035 -29.399 1.00 25.00 C ATOM 383 CG GLN A 25 -1.505 18.867 -29.922 1.00 25.00 C ATOM 384 CD GLN A 25 -2.781 18.071 -30.145 1.00 25.00 C ATOM 385 OE1 GLN A 25 -3.145 17.720 -31.264 1.00 25.00 O ATOM 386 NE2 GLN A 25 -3.482 17.826 -29.074 1.00 25.00 N ATOM 0 H GLN A 25 -0.267 15.543 -29.171 1.00 25.00 H new ATOM 0 HA GLN A 25 -0.187 17.356 -31.446 1.00 25.00 H new ATOM 0 HB2 GLN A 25 -0.695 17.425 -28.563 1.00 25.00 H new ATOM 0 HB3 GLN A 25 0.425 18.696 -29.013 1.00 25.00 H new ATOM 0 HG2 GLN A 25 -1.709 19.673 -29.217 1.00 25.00 H new ATOM 0 HG3 GLN A 25 -1.209 19.333 -30.862 1.00 25.00 H new ATOM 0 HE21 GLN A 25 -3.145 18.134 -28.162 1.00 25.00 H new ATOM 0 HE22 GLN A 25 -4.368 17.326 -29.148 1.00 25.00 H new ATOM 395 N GLN A 26 2.522 16.386 -30.128 1.00 25.00 N ATOM 396 CA GLN A 26 3.988 16.435 -30.171 1.00 25.00 C ATOM 397 C GLN A 26 4.517 15.594 -31.347 1.00 25.00 C ATOM 398 O GLN A 26 5.320 16.070 -32.139 1.00 25.00 O ATOM 399 CB GLN A 26 4.559 15.891 -28.873 1.00 25.00 C ATOM 400 CG GLN A 26 4.603 16.936 -27.750 1.00 25.00 C ATOM 401 CD GLN A 26 5.934 17.666 -27.683 1.00 25.00 C ATOM 402 OE1 GLN A 26 6.581 17.896 -28.681 1.00 25.00 O ATOM 403 NE2 GLN A 26 6.325 18.031 -26.482 1.00 25.00 N ATOM 0 H GLN A 26 2.150 15.515 -29.749 1.00 25.00 H new ATOM 0 HA GLN A 26 4.297 17.472 -30.304 1.00 25.00 H new ATOM 0 HB2 GLN A 26 3.959 15.041 -28.547 1.00 25.00 H new ATOM 0 HB3 GLN A 26 5.567 15.519 -29.054 1.00 25.00 H new ATOM 0 HG2 GLN A 26 3.803 17.660 -27.901 1.00 25.00 H new ATOM 0 HG3 GLN A 26 4.413 16.446 -26.795 1.00 25.00 H new ATOM 0 HE21 GLN A 26 5.747 17.815 -25.670 1.00 25.00 H new ATOM 0 HE22 GLN A 26 7.207 18.530 -26.362 1.00 25.00 H new ATOM 412 N TYR A 27 4.015 14.365 -31.465 1.00 25.00 N ATOM 413 CA TYR A 27 4.437 13.438 -32.515 1.00 25.00 C ATOM 414 C TYR A 27 3.246 13.009 -33.381 1.00 25.00 C ATOM 415 O TYR A 27 2.801 11.831 -33.359 1.00 25.00 O ATOM 416 CB TYR A 27 5.095 12.219 -31.880 1.00 25.00 C ATOM 417 CG TYR A 27 6.363 12.543 -31.097 1.00 25.00 C ATOM 418 CD1 TYR A 27 7.217 13.619 -31.437 1.00 25.00 C ATOM 419 CD2 TYR A 27 6.729 11.741 -29.981 1.00 25.00 C ATOM 420 CE1 TYR A 27 8.388 13.890 -30.697 1.00 25.00 C ATOM 421 CE2 TYR A 27 7.898 12.008 -29.255 1.00 25.00 C ATOM 422 CZ TYR A 27 8.716 13.070 -29.618 1.00 25.00 C ATOM 423 OH TYR A 27 9.840 13.314 -28.903 1.00 25.00 O ATOM 0 H TYR A 27 3.306 13.985 -30.838 1.00 25.00 H new ATOM 0 HA TYR A 27 5.155 13.944 -33.161 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.380 11.738 -31.213 1.00 25.00 H new ATOM 0 HB3 TYR A 27 5.336 11.499 -32.662 1.00 25.00 H new ATOM 0 HD1 TYR A 27 6.968 14.246 -32.280 1.00 25.00 H new ATOM 0 HD2 TYR A 27 6.098 10.915 -29.689 1.00 25.00 H new ATOM 0 HE1 TYR A 27 9.022 14.723 -30.963 1.00 25.00 H new ATOM 0 HE2 TYR A 27 8.163 11.387 -28.412 1.00 25.00 H new ATOM 0 HH TYR A 27 9.921 12.652 -28.185 1.00 25.00 H new ATOM 433 N PRO A 28 2.651 13.945 -34.144 1.00 25.00 N ATOM 434 CA PRO A 28 1.519 13.491 -34.952 1.00 25.00 C ATOM 435 C PRO A 28 1.971 12.565 -36.064 1.00 25.00 C ATOM 436 O PRO A 28 3.000 12.774 -36.683 1.00 25.00 O ATOM 437 CB PRO A 28 0.946 14.786 -35.496 1.00 25.00 C ATOM 438 CG PRO A 28 2.100 15.734 -35.539 1.00 25.00 C ATOM 439 CD PRO A 28 2.902 15.395 -34.321 1.00 25.00 C ATOM 0 HA PRO A 28 0.791 12.911 -34.386 1.00 25.00 H new ATOM 0 HB2 PRO A 28 0.517 14.642 -36.488 1.00 25.00 H new ATOM 0 HB3 PRO A 28 0.149 15.164 -34.856 1.00 25.00 H new ATOM 0 HG2 PRO A 28 2.686 15.607 -36.449 1.00 25.00 H new ATOM 0 HG3 PRO A 28 1.764 16.771 -35.518 1.00 25.00 H new ATOM 0 HD2 PRO A 28 3.962 15.606 -34.465 1.00 25.00 H new ATOM 0 HD3 PRO A 28 2.578 15.969 -33.453 1.00 25.00 H new ATOM 447 N GLY A 29 1.218 11.505 -36.297 1.00 25.00 N ATOM 448 CA GLY A 29 1.557 10.545 -37.342 1.00 25.00 C ATOM 449 C GLY A 29 2.454 9.404 -36.888 1.00 25.00 C ATOM 450 O GLY A 29 2.684 8.470 -37.651 1.00 25.00 O ATOM 0 H GLY A 29 0.367 11.284 -35.779 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.635 10.126 -37.745 1.00 25.00 H new ATOM 0 HA3 GLY A 29 2.050 11.075 -38.157 1.00 25.00 H new ATOM 454 N ASN A 30 2.968 9.461 -35.663 1.00 25.00 N ATOM 455 CA ASN A 30 3.871 8.415 -35.169 1.00 25.00 C ATOM 456 C ASN A 30 3.310 7.730 -33.911 1.00 25.00 C ATOM 457 O ASN A 30 3.706 8.082 -32.810 1.00 25.00 O ATOM 458 CB ASN A 30 5.249 9.028 -34.863 1.00 25.00 C ATOM 459 CG ASN A 30 6.058 9.315 -36.084 1.00 25.00 C ATOM 460 OD1 ASN A 30 6.351 10.455 -36.389 1.00 25.00 O ATOM 461 ND2 ASN A 30 6.516 8.267 -36.753 1.00 25.00 N ATOM 0 H ASN A 30 2.780 10.210 -34.997 1.00 25.00 H new ATOM 0 HA ASN A 30 3.967 7.655 -35.945 1.00 25.00 H new ATOM 0 HB2 ASN A 30 5.110 9.953 -34.303 1.00 25.00 H new ATOM 0 HB3 ASN A 30 5.806 8.347 -34.220 1.00 25.00 H new ATOM 0 HD21 ASN A 30 7.135 8.403 -37.552 1.00 25.00 H new ATOM 0 HD22 ASN A 30 6.249 7.324 -36.469 1.00 25.00 H new ATOM 468 N TYR A 31 2.423 6.759 -34.062 1.00 25.00 N ATOM 469 CA TYR A 31 1.846 6.047 -32.912 1.00 25.00 C ATOM 470 C TYR A 31 2.907 5.525 -31.949 1.00 25.00 C ATOM 471 O TYR A 31 2.782 5.709 -30.746 1.00 25.00 O ATOM 472 CB TYR A 31 0.976 4.873 -33.378 1.00 25.00 C ATOM 473 CG TYR A 31 0.617 3.910 -32.268 1.00 25.00 C ATOM 474 CD1 TYR A 31 -0.359 4.218 -31.316 1.00 25.00 C ATOM 475 CD2 TYR A 31 1.291 2.657 -32.152 1.00 25.00 C ATOM 476 CE1 TYR A 31 -0.686 3.299 -30.266 1.00 25.00 C ATOM 477 CE2 TYR A 31 0.996 1.771 -31.087 1.00 25.00 C ATOM 478 CZ TYR A 31 -0.006 2.109 -30.168 1.00 25.00 C ATOM 479 OH TYR A 31 -0.326 1.248 -29.169 1.00 25.00 O ATOM 0 H TYR A 31 2.081 6.439 -34.968 1.00 25.00 H new ATOM 0 HA TYR A 31 1.236 6.777 -32.380 1.00 25.00 H new ATOM 0 HB2 TYR A 31 0.059 5.263 -33.820 1.00 25.00 H new ATOM 0 HB3 TYR A 31 1.502 4.330 -34.163 1.00 25.00 H new ATOM 0 HD1 TYR A 31 -0.876 5.165 -31.373 1.00 25.00 H new ATOM 0 HD2 TYR A 31 2.035 2.381 -32.885 1.00 25.00 H new ATOM 0 HE1 TYR A 31 -1.463 3.540 -29.556 1.00 25.00 H new ATOM 0 HE2 TYR A 31 1.539 0.843 -30.984 1.00 25.00 H new ATOM 0 HH TYR A 31 0.240 0.450 -29.231 1.00 25.00 H new ATOM 489 N GLU A 32 3.964 4.902 -32.457 1.00 25.00 N ATOM 490 CA GLU A 32 4.983 4.321 -31.581 1.00 25.00 C ATOM 491 C GLU A 32 5.726 5.392 -30.776 1.00 25.00 C ATOM 492 O GLU A 32 5.909 5.247 -29.575 1.00 25.00 O ATOM 493 CB GLU A 32 5.987 3.490 -32.384 1.00 25.00 C ATOM 494 CG GLU A 32 6.563 4.234 -33.590 1.00 25.00 C ATOM 495 CD GLU A 32 7.235 3.316 -34.561 1.00 25.00 C ATOM 496 OE1 GLU A 32 6.537 2.667 -35.352 1.00 25.00 O ATOM 497 OE2 GLU A 32 8.474 3.283 -34.561 1.00 25.00 O ATOM 0 H GLU A 32 4.140 4.785 -33.455 1.00 25.00 H new ATOM 0 HA GLU A 32 4.460 3.671 -30.879 1.00 25.00 H new ATOM 0 HB2 GLU A 32 6.804 3.188 -31.729 1.00 25.00 H new ATOM 0 HB3 GLU A 32 5.500 2.578 -32.728 1.00 25.00 H new ATOM 0 HG2 GLU A 32 5.762 4.772 -34.098 1.00 25.00 H new ATOM 0 HG3 GLU A 32 7.279 4.980 -33.245 1.00 25.00 H new ATOM 504 N GLN A 33 6.107 6.503 -31.410 1.00 25.00 N ATOM 505 CA GLN A 33 6.800 7.581 -30.702 1.00 25.00 C ATOM 506 C GLN A 33 5.877 8.268 -29.694 1.00 25.00 C ATOM 507 O GLN A 33 6.303 8.647 -28.616 1.00 25.00 O ATOM 508 CB GLN A 33 7.334 8.613 -31.684 1.00 25.00 C ATOM 509 CG GLN A 33 8.303 8.055 -32.709 1.00 25.00 C ATOM 510 CD GLN A 33 9.552 7.498 -32.064 1.00 25.00 C ATOM 511 OE1 GLN A 33 10.016 8.012 -31.062 1.00 25.00 O ATOM 512 NE2 GLN A 33 10.071 6.409 -32.608 1.00 25.00 N ATOM 0 H GLN A 33 5.949 6.679 -32.402 1.00 25.00 H new ATOM 0 HA GLN A 33 7.634 7.132 -30.162 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.493 9.069 -32.207 1.00 25.00 H new ATOM 0 HB3 GLN A 33 7.831 9.406 -31.125 1.00 25.00 H new ATOM 0 HG2 GLN A 33 7.811 7.270 -33.283 1.00 25.00 H new ATOM 0 HG3 GLN A 33 8.578 8.840 -33.413 1.00 25.00 H new ATOM 0 HE21 GLN A 33 9.652 6.009 -33.448 1.00 25.00 H new ATOM 0 HE22 GLN A 33 10.890 5.969 -32.187 1.00 25.00 H new ATOM 521 N GLN A 34 4.594 8.351 -30.046 1.00 25.00 N ATOM 522 CA GLN A 34 3.590 8.863 -29.116 1.00 25.00 C ATOM 523 C GLN A 34 3.557 8.021 -27.835 1.00 25.00 C ATOM 524 O GLN A 34 3.397 8.552 -26.748 1.00 25.00 O ATOM 525 CB GLN A 34 2.202 8.813 -29.726 1.00 25.00 C ATOM 526 CG GLN A 34 1.901 9.895 -30.707 1.00 25.00 C ATOM 527 CD GLN A 34 0.564 9.722 -31.371 1.00 25.00 C ATOM 528 OE1 GLN A 34 -0.331 9.087 -30.847 1.00 25.00 O ATOM 529 NE2 GLN A 34 0.426 10.304 -32.539 1.00 25.00 N ATOM 0 H GLN A 34 4.229 8.074 -30.957 1.00 25.00 H new ATOM 0 HA GLN A 34 3.866 9.893 -28.892 1.00 25.00 H new ATOM 0 HB2 GLN A 34 2.074 7.850 -30.221 1.00 25.00 H new ATOM 0 HB3 GLN A 34 1.467 8.858 -28.922 1.00 25.00 H new ATOM 0 HG2 GLN A 34 1.927 10.859 -30.198 1.00 25.00 H new ATOM 0 HG3 GLN A 34 2.680 9.916 -31.469 1.00 25.00 H new ATOM 0 HE21 GLN A 34 1.203 10.827 -32.943 1.00 25.00 H new ATOM 0 HE22 GLN A 34 -0.458 10.233 -33.043 1.00 25.00 H new ATOM 538 N GLN A 35 3.726 6.716 -27.957 1.00 25.00 N ATOM 539 CA GLN A 35 3.652 5.834 -26.804 1.00 25.00 C ATOM 540 C GLN A 35 4.911 5.985 -25.957 1.00 25.00 C ATOM 541 O GLN A 35 4.872 5.968 -24.724 1.00 25.00 O ATOM 542 CB GLN A 35 3.463 4.382 -27.192 1.00 25.00 C ATOM 543 CG GLN A 35 2.096 4.106 -27.814 1.00 25.00 C ATOM 544 CD GLN A 35 0.968 4.314 -26.837 1.00 25.00 C ATOM 545 OE1 GLN A 35 0.952 3.753 -25.751 1.00 25.00 O ATOM 546 NE2 GLN A 35 -0.005 5.117 -27.216 1.00 25.00 N ATOM 0 H GLN A 35 3.915 6.244 -28.841 1.00 25.00 H new ATOM 0 HA GLN A 35 2.775 6.129 -26.228 1.00 25.00 H new ATOM 0 HB2 GLN A 35 4.242 4.096 -27.898 1.00 25.00 H new ATOM 0 HB3 GLN A 35 3.588 3.756 -26.308 1.00 25.00 H new ATOM 0 HG2 GLN A 35 1.953 4.759 -28.675 1.00 25.00 H new ATOM 0 HG3 GLN A 35 2.068 3.081 -28.184 1.00 25.00 H new ATOM 0 HE21 GLN A 35 0.035 5.572 -28.128 1.00 25.00 H new ATOM 0 HE22 GLN A 35 -0.799 5.284 -26.597 1.00 25.00 H new ATOM 555 N ILE A 36 6.048 6.176 -26.624 1.00 25.00 N ATOM 556 CA ILE A 36 7.311 6.397 -25.931 1.00 25.00 C ATOM 557 C ILE A 36 7.244 7.703 -25.117 1.00 25.00 C ATOM 558 O ILE A 36 7.674 7.745 -23.960 1.00 25.00 O ATOM 559 CB ILE A 36 8.486 6.463 -26.976 1.00 25.00 C ATOM 560 CG1 ILE A 36 8.613 5.098 -27.680 1.00 25.00 C ATOM 561 CG2 ILE A 36 9.815 6.871 -26.288 1.00 25.00 C ATOM 562 CD1 ILE A 36 9.510 5.080 -28.921 1.00 25.00 C ATOM 0 H ILE A 36 6.118 6.182 -27.642 1.00 25.00 H new ATOM 0 HA ILE A 36 7.494 5.569 -25.246 1.00 25.00 H new ATOM 0 HB ILE A 36 8.265 7.226 -27.723 1.00 25.00 H new ATOM 0 HG12 ILE A 36 8.999 4.373 -26.963 1.00 25.00 H new ATOM 0 HG13 ILE A 36 7.617 4.763 -27.968 1.00 25.00 H new ATOM 0 HG21 ILE A 36 10.612 6.910 -27.030 1.00 25.00 H new ATOM 0 HG22 ILE A 36 9.700 7.852 -25.827 1.00 25.00 H new ATOM 0 HG23 ILE A 36 10.068 6.138 -25.522 1.00 25.00 H new ATOM 0 HD11 ILE A 36 9.531 4.074 -29.340 1.00 25.00 H new ATOM 0 HD12 ILE A 36 9.117 5.774 -29.664 1.00 25.00 H new ATOM 0 HD13 ILE A 36 10.521 5.379 -28.644 1.00 25.00 H new ATOM 574 N LEU A 37 6.653 8.744 -25.696 1.00 25.00 N ATOM 575 CA LEU A 37 6.540 10.028 -25.003 1.00 25.00 C ATOM 576 C LEU A 37 5.738 9.865 -23.711 1.00 25.00 C ATOM 577 O LEU A 37 6.181 10.299 -22.652 1.00 25.00 O ATOM 578 CB LEU A 37 5.908 11.088 -25.898 1.00 25.00 C ATOM 579 CG LEU A 37 5.715 12.478 -25.270 1.00 25.00 C ATOM 580 CD1 LEU A 37 7.051 13.033 -24.720 1.00 25.00 C ATOM 581 CD2 LEU A 37 5.134 13.392 -26.352 1.00 25.00 C ATOM 0 H LEU A 37 6.249 8.728 -26.632 1.00 25.00 H new ATOM 0 HA LEU A 37 7.546 10.365 -24.751 1.00 25.00 H new ATOM 0 HB2 LEU A 37 6.526 11.197 -26.789 1.00 25.00 H new ATOM 0 HB3 LEU A 37 4.935 10.723 -26.228 1.00 25.00 H new ATOM 0 HG LEU A 37 5.034 12.420 -24.421 1.00 25.00 H new ATOM 0 HD11 LEU A 37 6.883 14.017 -24.282 1.00 25.00 H new ATOM 0 HD12 LEU A 37 7.439 12.358 -23.957 1.00 25.00 H new ATOM 0 HD13 LEU A 37 7.773 13.116 -25.533 1.00 25.00 H new ATOM 0 HD21 LEU A 37 4.983 14.391 -25.942 1.00 25.00 H new ATOM 0 HD22 LEU A 37 5.826 13.446 -27.193 1.00 25.00 H new ATOM 0 HD23 LEU A 37 4.179 12.991 -26.693 1.00 25.00 H new ATOM 593 N ILE A 38 4.605 9.183 -23.788 1.00 25.00 N ATOM 594 CA ILE A 38 3.785 8.883 -22.612 1.00 25.00 C ATOM 595 C ILE A 38 4.521 8.070 -21.542 1.00 25.00 C ATOM 596 O ILE A 38 4.427 8.369 -20.357 1.00 25.00 O ATOM 597 CB ILE A 38 2.487 8.116 -23.037 1.00 25.00 C ATOM 598 CG1 ILE A 38 1.662 8.995 -23.980 1.00 25.00 C ATOM 599 CG2 ILE A 38 1.673 7.690 -21.801 1.00 25.00 C ATOM 600 CD1 ILE A 38 0.562 8.228 -24.779 1.00 25.00 C ATOM 0 H ILE A 38 4.224 8.821 -24.662 1.00 25.00 H new ATOM 0 HA ILE A 38 3.535 9.847 -22.168 1.00 25.00 H new ATOM 0 HB ILE A 38 2.764 7.205 -23.567 1.00 25.00 H new ATOM 0 HG12 ILE A 38 1.187 9.785 -23.398 1.00 25.00 H new ATOM 0 HG13 ILE A 38 2.335 9.480 -24.687 1.00 25.00 H new ATOM 0 HG21 ILE A 38 0.776 7.159 -22.121 1.00 25.00 H new ATOM 0 HG22 ILE A 38 2.278 7.035 -21.175 1.00 25.00 H new ATOM 0 HG23 ILE A 38 1.387 8.574 -21.231 1.00 25.00 H new ATOM 0 HD11 ILE A 38 0.026 8.926 -25.422 1.00 25.00 H new ATOM 0 HD12 ILE A 38 1.028 7.456 -25.391 1.00 25.00 H new ATOM 0 HD13 ILE A 38 -0.138 7.765 -24.083 1.00 25.00 H new ATOM 612 N ARG A 39 5.302 7.096 -21.983 1.00 25.00 N ATOM 613 CA ARG A 39 6.103 6.287 -21.082 1.00 25.00 C ATOM 614 C ARG A 39 6.996 7.179 -20.240 1.00 25.00 C ATOM 615 O ARG A 39 7.128 6.959 -19.050 1.00 25.00 O ATOM 616 CB ARG A 39 6.945 5.318 -21.891 1.00 25.00 C ATOM 617 CG ARG A 39 7.578 4.206 -21.081 1.00 25.00 C ATOM 618 CD ARG A 39 8.471 3.315 -21.933 1.00 25.00 C ATOM 619 NE ARG A 39 9.654 4.054 -22.380 1.00 25.00 N ATOM 620 CZ ARG A 39 10.355 3.806 -23.478 1.00 25.00 C ATOM 621 NH1 ARG A 39 10.058 2.819 -24.299 1.00 25.00 N ATOM 622 NH2 ARG A 39 11.381 4.573 -23.763 1.00 25.00 N ATOM 0 H ARG A 39 5.397 6.847 -22.967 1.00 25.00 H new ATOM 0 HA ARG A 39 5.446 5.725 -20.418 1.00 25.00 H new ATOM 0 HB2 ARG A 39 6.321 4.875 -22.667 1.00 25.00 H new ATOM 0 HB3 ARG A 39 7.733 5.876 -22.396 1.00 25.00 H new ATOM 0 HG2 ARG A 39 8.165 4.637 -20.270 1.00 25.00 H new ATOM 0 HG3 ARG A 39 6.796 3.602 -20.622 1.00 25.00 H new ATOM 0 HD2 ARG A 39 8.777 2.440 -21.359 1.00 25.00 H new ATOM 0 HD3 ARG A 39 7.914 2.951 -22.796 1.00 25.00 H new ATOM 0 HE ARG A 39 9.967 4.829 -21.794 1.00 25.00 H new ATOM 0 HH11 ARG A 39 9.263 2.212 -24.100 1.00 25.00 H new ATOM 0 HH12 ARG A 39 10.623 2.662 -25.133 1.00 25.00 H new ATOM 0 HH21 ARG A 39 11.628 5.345 -23.144 1.00 25.00 H new ATOM 0 HH22 ARG A 39 11.932 4.397 -24.603 1.00 25.00 H new ATOM 636 N GLN A 40 7.570 8.210 -20.830 1.00 25.00 N ATOM 637 CA GLN A 40 8.418 9.125 -20.077 1.00 25.00 C ATOM 638 C GLN A 40 7.626 10.117 -19.232 1.00 25.00 C ATOM 639 O GLN A 40 8.045 10.467 -18.146 1.00 25.00 O ATOM 640 CB GLN A 40 9.344 9.903 -21.029 1.00 25.00 C ATOM 641 CG GLN A 40 10.238 9.020 -21.915 1.00 25.00 C ATOM 642 CD GLN A 40 10.849 7.831 -21.184 1.00 25.00 C ATOM 643 OE1 GLN A 40 10.646 6.676 -21.566 1.00 25.00 O ATOM 644 NE2 GLN A 40 11.567 8.103 -20.137 1.00 25.00 N ATOM 0 H GLN A 40 7.469 8.437 -21.819 1.00 25.00 H new ATOM 0 HA GLN A 40 9.003 8.507 -19.396 1.00 25.00 H new ATOM 0 HB2 GLN A 40 8.733 10.538 -21.670 1.00 25.00 H new ATOM 0 HB3 GLN A 40 9.979 10.563 -20.438 1.00 25.00 H new ATOM 0 HG2 GLN A 40 9.650 8.654 -22.757 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.040 9.631 -22.328 1.00 25.00 H new ATOM 0 HE21 GLN A 40 11.710 9.073 -19.855 1.00 25.00 H new ATOM 0 HE22 GLN A 40 11.988 7.347 -19.597 1.00 25.00 H new ATOM 653 N LEU A 41 6.477 10.556 -19.719 1.00 25.00 N ATOM 654 CA LEU A 41 5.655 11.511 -18.956 1.00 25.00 C ATOM 655 C LEU A 41 5.156 10.882 -17.660 1.00 25.00 C ATOM 656 O LEU A 41 5.149 11.520 -16.608 1.00 25.00 O ATOM 657 CB LEU A 41 4.421 11.938 -19.768 1.00 25.00 C ATOM 658 CG LEU A 41 4.688 12.823 -20.999 1.00 25.00 C ATOM 659 CD1 LEU A 41 3.401 12.931 -21.811 1.00 25.00 C ATOM 660 CD2 LEU A 41 5.160 14.204 -20.596 1.00 25.00 C ATOM 0 H LEU A 41 6.089 10.279 -20.621 1.00 25.00 H new ATOM 0 HA LEU A 41 6.285 12.374 -18.740 1.00 25.00 H new ATOM 0 HB2 LEU A 41 3.901 11.039 -20.099 1.00 25.00 H new ATOM 0 HB3 LEU A 41 3.742 12.472 -19.103 1.00 25.00 H new ATOM 0 HG LEU A 41 5.477 12.366 -21.596 1.00 25.00 H new ATOM 0 HD11 LEU A 41 3.575 13.556 -22.687 1.00 25.00 H new ATOM 0 HD12 LEU A 41 3.088 11.937 -22.130 1.00 25.00 H new ATOM 0 HD13 LEU A 41 2.619 13.378 -21.196 1.00 25.00 H new ATOM 0 HD21 LEU A 41 5.339 14.802 -21.489 1.00 25.00 H new ATOM 0 HD22 LEU A 41 4.397 14.685 -19.984 1.00 25.00 H new ATOM 0 HD23 LEU A 41 6.084 14.120 -20.024 1.00 25.00 H new ATOM 672 N GLN A 42 4.722 9.636 -17.734 1.00 25.00 N ATOM 673 CA GLN A 42 4.131 8.978 -16.580 1.00 25.00 C ATOM 674 C GLN A 42 5.186 8.737 -15.492 1.00 25.00 C ATOM 675 O GLN A 42 4.879 8.797 -14.296 1.00 25.00 O ATOM 676 CB GLN A 42 3.437 7.689 -17.037 1.00 25.00 C ATOM 677 CG GLN A 42 2.197 7.986 -17.879 1.00 25.00 C ATOM 678 CD GLN A 42 1.517 6.735 -18.420 1.00 25.00 C ATOM 679 OE1 GLN A 42 2.141 5.707 -18.629 1.00 25.00 O ATOM 680 NE2 GLN A 42 0.237 6.844 -18.691 1.00 25.00 N ATOM 0 H GLN A 42 4.767 9.061 -18.576 1.00 25.00 H new ATOM 0 HA GLN A 42 3.375 9.620 -16.129 1.00 25.00 H new ATOM 0 HB2 GLN A 42 4.135 7.085 -17.617 1.00 25.00 H new ATOM 0 HB3 GLN A 42 3.153 7.099 -16.165 1.00 25.00 H new ATOM 0 HG2 GLN A 42 1.483 8.546 -17.275 1.00 25.00 H new ATOM 0 HG3 GLN A 42 2.480 8.627 -18.714 1.00 25.00 H new ATOM 0 HE21 GLN A 42 -0.251 7.719 -18.503 1.00 25.00 H new ATOM 0 HE22 GLN A 42 -0.269 6.053 -19.090 1.00 25.00 H new ATOM 689 N GLU A 43 6.434 8.579 -15.912 1.00 25.00 N ATOM 690 CA GLU A 43 7.538 8.438 -14.977 1.00 25.00 C ATOM 691 C GLU A 43 7.694 9.710 -14.131 1.00 25.00 C ATOM 692 O GLU A 43 7.867 9.646 -12.912 1.00 25.00 O ATOM 693 CB GLU A 43 8.833 8.162 -15.755 1.00 25.00 C ATOM 694 CG GLU A 43 9.991 7.676 -14.894 1.00 25.00 C ATOM 695 CD GLU A 43 11.137 7.166 -15.771 1.00 25.00 C ATOM 696 OE1 GLU A 43 11.632 7.946 -16.609 1.00 25.00 O ATOM 697 OE2 GLU A 43 11.498 5.979 -15.642 1.00 25.00 O ATOM 0 H GLU A 43 6.706 8.545 -16.895 1.00 25.00 H new ATOM 0 HA GLU A 43 7.331 7.604 -14.307 1.00 25.00 H new ATOM 0 HB2 GLU A 43 8.629 7.416 -16.523 1.00 25.00 H new ATOM 0 HB3 GLU A 43 9.136 9.074 -16.269 1.00 25.00 H new ATOM 0 HG2 GLU A 43 10.345 8.488 -14.259 1.00 25.00 H new ATOM 0 HG3 GLU A 43 9.650 6.880 -14.232 1.00 25.00 H new ATOM 704 N GLN A 44 7.605 10.868 -14.775 1.00 25.00 N ATOM 705 CA GLN A 44 7.793 12.123 -14.061 1.00 25.00 C ATOM 706 C GLN A 44 6.546 12.457 -13.223 1.00 25.00 C ATOM 707 O GLN A 44 6.644 12.958 -12.100 1.00 25.00 O ATOM 708 CB GLN A 44 8.096 13.253 -15.061 1.00 25.00 C ATOM 709 CG GLN A 44 8.671 14.494 -14.415 1.00 25.00 C ATOM 710 CD GLN A 44 9.187 15.484 -15.446 1.00 25.00 C ATOM 711 OE1 GLN A 44 8.627 15.640 -16.515 1.00 25.00 O ATOM 712 NE2 GLN A 44 10.280 16.128 -15.148 1.00 25.00 N ATOM 0 H GLN A 44 7.408 10.964 -15.771 1.00 25.00 H new ATOM 0 HA GLN A 44 8.639 12.021 -13.382 1.00 25.00 H new ATOM 0 HB2 GLN A 44 8.797 12.886 -15.811 1.00 25.00 H new ATOM 0 HB3 GLN A 44 7.178 13.518 -15.586 1.00 25.00 H new ATOM 0 HG2 GLN A 44 7.906 14.973 -13.804 1.00 25.00 H new ATOM 0 HG3 GLN A 44 9.483 14.211 -13.745 1.00 25.00 H new ATOM 0 HE21 GLN A 44 10.730 15.979 -14.245 1.00 25.00 H new ATOM 0 HE22 GLN A 44 10.686 16.781 -15.818 1.00 25.00 H new ATOM 721 N HIS A 45 5.355 12.130 -13.719 1.00 25.00 N ATOM 722 CA HIS A 45 4.108 12.395 -12.955 1.00 25.00 C ATOM 723 C HIS A 45 4.007 11.472 -11.745 1.00 25.00 C ATOM 724 O HIS A 45 3.331 11.792 -10.752 1.00 25.00 O ATOM 725 CB HIS A 45 2.860 12.200 -13.841 1.00 25.00 C ATOM 726 CG HIS A 45 2.629 13.328 -14.810 1.00 25.00 C ATOM 727 ND1 HIS A 45 3.283 13.461 -16.003 1.00 25.00 N ATOM 728 CD2 HIS A 45 1.820 14.426 -14.722 1.00 25.00 C ATOM 729 CE1 HIS A 45 2.831 14.567 -16.596 1.00 25.00 C ATOM 730 NE2 HIS A 45 1.960 15.203 -15.858 1.00 25.00 N ATOM 0 H HIS A 45 5.213 11.689 -14.628 1.00 25.00 H new ATOM 0 HA HIS A 45 4.149 13.431 -12.619 1.00 25.00 H new ATOM 0 HB2 HIS A 45 2.962 11.268 -14.398 1.00 25.00 H new ATOM 0 HB3 HIS A 45 1.983 12.095 -13.202 1.00 25.00 H new ATOM 0 HD1 HIS A 45 3.991 12.827 -16.374 1.00 25.00 H new ATOM 0 HD2 HIS A 45 1.169 14.653 -13.891 1.00 25.00 H new ATOM 0 HE1 HIS A 45 3.148 14.899 -17.574 1.00 25.00 H new ATOM 738 N TYR A 46 4.699 10.339 -11.773 1.00 25.00 N ATOM 739 CA TYR A 46 4.728 9.419 -10.636 1.00 25.00 C ATOM 740 C TYR A 46 5.365 10.095 -9.440 1.00 25.00 C ATOM 741 O TYR A 46 4.952 9.897 -8.301 1.00 25.00 O ATOM 742 CB TYR A 46 5.543 8.186 -11.001 1.00 25.00 C ATOM 743 CG TYR A 46 5.461 7.074 -9.991 1.00 25.00 C ATOM 744 CD1 TYR A 46 4.250 6.406 -9.774 1.00 25.00 C ATOM 745 CD2 TYR A 46 6.584 6.701 -9.227 1.00 25.00 C ATOM 746 CE1 TYR A 46 4.151 5.361 -8.823 1.00 25.00 C ATOM 747 CE2 TYR A 46 6.498 5.623 -8.321 1.00 25.00 C ATOM 748 CZ TYR A 46 5.274 4.978 -8.108 1.00 25.00 C ATOM 749 OH TYR A 46 5.160 3.971 -7.187 1.00 25.00 O ATOM 0 H TYR A 46 5.251 10.032 -12.574 1.00 25.00 H new ATOM 0 HA TYR A 46 3.707 9.129 -10.388 1.00 25.00 H new ATOM 0 HB2 TYR A 46 5.202 7.811 -11.966 1.00 25.00 H new ATOM 0 HB3 TYR A 46 6.587 8.476 -11.122 1.00 25.00 H new ATOM 0 HD1 TYR A 46 3.377 6.692 -10.341 1.00 25.00 H new ATOM 0 HD2 TYR A 46 7.513 7.241 -9.335 1.00 25.00 H new ATOM 0 HE1 TYR A 46 3.206 4.866 -8.656 1.00 25.00 H new ATOM 0 HE2 TYR A 46 7.379 5.294 -7.790 1.00 25.00 H new ATOM 0 HH TYR A 46 4.692 3.210 -7.590 1.00 25.00 H new ATOM 759 N GLN A 47 6.355 10.945 -9.728 1.00 25.00 N ATOM 760 CA GLN A 47 7.042 11.693 -8.661 1.00 25.00 C ATOM 761 C GLN A 47 6.092 12.649 -7.988 1.00 25.00 C ATOM 762 O GLN A 47 6.092 12.721 -6.770 1.00 25.00 O ATOM 763 CB GLN A 47 8.239 12.445 -9.230 1.00 25.00 C ATOM 764 CG GLN A 47 9.209 11.565 -10.009 1.00 25.00 C ATOM 765 CD GLN A 47 10.425 12.320 -10.438 1.00 25.00 C ATOM 766 OE1 GLN A 47 10.400 13.113 -11.352 1.00 25.00 O ATOM 767 NE2 GLN A 47 11.549 12.052 -9.782 1.00 25.00 N ATOM 0 H GLN A 47 6.697 11.133 -10.671 1.00 25.00 H new ATOM 0 HA GLN A 47 7.399 10.982 -7.915 1.00 25.00 H new ATOM 0 HB2 GLN A 47 7.879 13.239 -9.884 1.00 25.00 H new ATOM 0 HB3 GLN A 47 8.776 12.925 -8.412 1.00 25.00 H new ATOM 0 HG2 GLN A 47 9.507 10.718 -9.391 1.00 25.00 H new ATOM 0 HG3 GLN A 47 8.706 11.158 -10.886 1.00 25.00 H new ATOM 0 HE21 GLN A 47 11.544 11.380 -9.015 1.00 25.00 H new ATOM 0 HE22 GLN A 47 12.417 12.519 -10.045 1.00 25.00 H new ATOM 776 N GLN A 48 5.260 13.350 -8.754 1.00 25.00 N ATOM 777 CA GLN A 48 4.286 14.298 -8.200 1.00 25.00 C ATOM 778 C GLN A 48 3.283 13.560 -7.290 1.00 25.00 C ATOM 779 O GLN A 48 2.896 14.032 -6.208 1.00 25.00 O ATOM 780 CB GLN A 48 3.527 14.972 -9.349 1.00 25.00 C ATOM 781 CG GLN A 48 2.548 16.054 -8.874 1.00 25.00 C ATOM 782 CD GLN A 48 1.619 16.515 -9.954 1.00 25.00 C ATOM 783 OE1 GLN A 48 1.997 16.668 -11.101 1.00 25.00 O ATOM 784 NE2 GLN A 48 0.384 16.758 -9.599 1.00 25.00 N ATOM 0 H GLN A 48 5.238 13.281 -9.771 1.00 25.00 H new ATOM 0 HA GLN A 48 4.814 15.048 -7.612 1.00 25.00 H new ATOM 0 HB2 GLN A 48 4.245 15.418 -10.038 1.00 25.00 H new ATOM 0 HB3 GLN A 48 2.978 14.214 -9.907 1.00 25.00 H new ATOM 0 HG2 GLN A 48 1.963 15.667 -8.040 1.00 25.00 H new ATOM 0 HG3 GLN A 48 3.112 16.908 -8.498 1.00 25.00 H new ATOM 0 HE21 GLN A 48 0.095 16.621 -8.630 1.00 25.00 H new ATOM 0 HE22 GLN A 48 -0.291 17.085 -10.291 1.00 25.00 H new ATOM 793 N TYR A 49 2.856 12.392 -7.739 1.00 25.00 N ATOM 794 CA TYR A 49 1.908 11.585 -6.958 1.00 25.00 C ATOM 795 C TYR A 49 2.561 11.125 -5.657 1.00 25.00 C ATOM 796 O TYR A 49 1.944 11.159 -4.593 1.00 25.00 O ATOM 797 CB TYR A 49 1.411 10.384 -7.757 1.00 25.00 C ATOM 798 CG TYR A 49 0.220 9.713 -7.108 1.00 25.00 C ATOM 799 CD1 TYR A 49 -1.077 10.269 -7.224 1.00 25.00 C ATOM 800 CD2 TYR A 49 0.359 8.508 -6.371 1.00 25.00 C ATOM 801 CE1 TYR A 49 -2.189 9.652 -6.634 1.00 25.00 C ATOM 802 CE2 TYR A 49 -0.777 7.881 -5.785 1.00 25.00 C ATOM 803 CZ TYR A 49 -2.025 8.461 -5.920 1.00 25.00 C ATOM 804 OH TYR A 49 -3.121 7.857 -5.366 1.00 25.00 O ATOM 0 H TYR A 49 3.140 11.978 -8.627 1.00 25.00 H new ATOM 0 HA TYR A 49 1.045 12.208 -6.724 1.00 25.00 H new ATOM 0 HB2 TYR A 49 1.140 10.707 -8.762 1.00 25.00 H new ATOM 0 HB3 TYR A 49 2.220 9.661 -7.862 1.00 25.00 H new ATOM 0 HD1 TYR A 49 -1.212 11.186 -7.778 1.00 25.00 H new ATOM 0 HD2 TYR A 49 1.336 8.062 -6.254 1.00 25.00 H new ATOM 0 HE1 TYR A 49 -3.169 10.095 -6.731 1.00 25.00 H new ATOM 0 HE2 TYR A 49 -0.665 6.957 -5.238 1.00 25.00 H new ATOM 0 HH TYR A 49 -2.845 7.038 -4.903 1.00 25.00 H new ATOM 814 N MET A 50 3.827 10.759 -5.745 1.00 25.00 N ATOM 815 CA MET A 50 4.578 10.356 -4.543 1.00 25.00 C ATOM 816 C MET A 50 4.706 11.553 -3.587 1.00 25.00 C ATOM 817 O MET A 50 4.634 11.404 -2.376 1.00 25.00 O ATOM 818 CB MET A 50 5.945 9.811 -4.900 1.00 25.00 C ATOM 819 CG MET A 50 6.375 8.612 -4.046 1.00 25.00 C ATOM 820 SD MET A 50 6.148 7.043 -4.911 1.00 25.00 S ATOM 821 CE MET A 50 4.390 6.876 -4.918 1.00 25.00 C ATOM 0 H MET A 50 4.360 10.728 -6.614 1.00 25.00 H new ATOM 0 HA MET A 50 4.028 9.556 -4.047 1.00 25.00 H new ATOM 0 HB2 MET A 50 5.946 9.517 -5.950 1.00 25.00 H new ATOM 0 HB3 MET A 50 6.683 10.606 -4.791 1.00 25.00 H new ATOM 0 HG2 MET A 50 7.423 8.723 -3.768 1.00 25.00 H new ATOM 0 HG3 MET A 50 5.799 8.602 -3.121 1.00 25.00 H new ATOM 0 HE1 MET A 50 4.113 5.968 -5.453 1.00 25.00 H new ATOM 0 HE2 MET A 50 4.026 6.819 -3.892 1.00 25.00 H new ATOM 0 HE3 MET A 50 3.945 7.739 -5.413 1.00 25.00 H new ATOM 831 N GLN A 51 4.894 12.749 -4.139 1.00 25.00 N ATOM 832 CA GLN A 51 5.012 13.980 -3.346 1.00 25.00 C ATOM 833 C GLN A 51 3.706 14.235 -2.600 1.00 25.00 C ATOM 834 O GLN A 51 3.705 14.576 -1.427 1.00 25.00 O ATOM 835 CB GLN A 51 5.356 15.162 -4.253 1.00 25.00 C ATOM 836 CG GLN A 51 5.587 16.483 -3.513 1.00 25.00 C ATOM 837 CD GLN A 51 6.780 16.422 -2.565 1.00 25.00 C ATOM 838 OE1 GLN A 51 7.810 15.803 -2.871 1.00 25.00 O ATOM 839 NE2 GLN A 51 6.659 17.021 -1.419 1.00 25.00 N ATOM 0 H GLN A 51 4.969 12.897 -5.145 1.00 25.00 H new ATOM 0 HA GLN A 51 5.816 13.865 -2.619 1.00 25.00 H new ATOM 0 HB2 GLN A 51 6.252 14.918 -4.823 1.00 25.00 H new ATOM 0 HB3 GLN A 51 4.548 15.299 -4.972 1.00 25.00 H new ATOM 0 HG2 GLN A 51 5.745 17.280 -4.240 1.00 25.00 H new ATOM 0 HG3 GLN A 51 4.691 16.740 -2.948 1.00 25.00 H new ATOM 0 HE21 GLN A 51 5.800 17.523 -1.194 1.00 25.00 H new ATOM 0 HE22 GLN A 51 7.423 16.990 -0.744 1.00 25.00 H new ATOM 848 N GLN A 52 2.578 14.054 -3.274 1.00 25.00 N ATOM 849 CA GLN A 52 1.290 14.275 -2.648 1.00 25.00 C ATOM 850 C GLN A 52 1.020 13.257 -1.547 1.00 25.00 C ATOM 851 O GLN A 52 0.521 13.623 -0.478 1.00 25.00 O ATOM 852 CB GLN A 52 0.197 14.217 -3.711 1.00 25.00 C ATOM 853 CG GLN A 52 -1.180 14.611 -3.192 1.00 25.00 C ATOM 854 CD GLN A 52 -1.174 15.998 -2.594 1.00 25.00 C ATOM 855 OE1 GLN A 52 -0.693 16.956 -3.191 1.00 25.00 O ATOM 856 NE2 GLN A 52 -1.658 16.103 -1.385 1.00 25.00 N ATOM 0 H GLN A 52 2.533 13.756 -4.249 1.00 25.00 H new ATOM 0 HA GLN A 52 1.295 15.260 -2.182 1.00 25.00 H new ATOM 0 HB2 GLN A 52 0.468 14.877 -4.535 1.00 25.00 H new ATOM 0 HB3 GLN A 52 0.148 13.206 -4.115 1.00 25.00 H new ATOM 0 HG2 GLN A 52 -1.902 14.569 -4.007 1.00 25.00 H new ATOM 0 HG3 GLN A 52 -1.505 13.892 -2.440 1.00 25.00 H new ATOM 0 HE21 GLN A 52 -2.050 15.284 -0.920 1.00 25.00 H new ATOM 0 HE22 GLN A 52 -1.644 17.004 -0.906 1.00 25.00 H new ATOM 865 N LEU A 53 1.400 12.010 -1.771 1.00 25.00 N ATOM 866 CA LEU A 53 1.215 10.944 -0.797 1.00 25.00 C ATOM 867 C LEU A 53 2.012 11.201 0.474 1.00 25.00 C ATOM 868 O LEU A 53 1.584 10.830 1.547 1.00 25.00 O ATOM 869 CB LEU A 53 1.639 9.603 -1.389 1.00 25.00 C ATOM 870 CG LEU A 53 0.636 8.927 -2.342 1.00 25.00 C ATOM 871 CD1 LEU A 53 1.322 7.656 -2.893 1.00 25.00 C ATOM 872 CD2 LEU A 53 -0.685 8.557 -1.646 1.00 25.00 C ATOM 0 H LEU A 53 1.847 11.706 -2.636 1.00 25.00 H new ATOM 0 HA LEU A 53 0.155 10.919 -0.544 1.00 25.00 H new ATOM 0 HB2 LEU A 53 2.576 9.748 -1.926 1.00 25.00 H new ATOM 0 HB3 LEU A 53 1.845 8.917 -0.568 1.00 25.00 H new ATOM 0 HG LEU A 53 0.372 9.622 -3.139 1.00 25.00 H new ATOM 0 HD11 LEU A 53 0.644 7.144 -3.576 1.00 25.00 H new ATOM 0 HD12 LEU A 53 2.231 7.935 -3.426 1.00 25.00 H new ATOM 0 HD13 LEU A 53 1.575 6.992 -2.067 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -1.355 8.084 -2.364 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -0.484 7.866 -0.828 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -1.154 9.459 -1.252 1.00 25.00 H new ATOM 884 N TYR A 54 3.153 11.851 0.339 1.00 25.00 N ATOM 885 CA TYR A 54 4.029 12.122 1.496 1.00 25.00 C ATOM 886 C TYR A 54 3.377 13.165 2.405 1.00 25.00 C ATOM 887 O TYR A 54 3.435 13.061 3.628 1.00 25.00 O ATOM 888 CB TYR A 54 5.388 12.603 0.980 1.00 25.00 C ATOM 889 CG TYR A 54 6.017 13.719 1.785 1.00 25.00 C ATOM 890 CD1 TYR A 54 6.767 13.443 2.945 1.00 25.00 C ATOM 891 CD2 TYR A 54 5.875 15.053 1.371 1.00 25.00 C ATOM 892 CE1 TYR A 54 7.364 14.493 3.680 1.00 25.00 C ATOM 893 CE2 TYR A 54 6.489 16.106 2.093 1.00 25.00 C ATOM 894 CZ TYR A 54 7.221 15.815 3.248 1.00 25.00 C ATOM 895 OH TYR A 54 7.806 16.834 3.933 1.00 25.00 O ATOM 0 H TYR A 54 3.506 12.205 -0.550 1.00 25.00 H new ATOM 0 HA TYR A 54 4.176 11.216 2.083 1.00 25.00 H new ATOM 0 HB2 TYR A 54 6.074 11.756 0.963 1.00 25.00 H new ATOM 0 HB3 TYR A 54 5.271 12.939 -0.050 1.00 25.00 H new ATOM 0 HD1 TYR A 54 6.887 12.422 3.275 1.00 25.00 H new ATOM 0 HD2 TYR A 54 5.291 15.279 0.491 1.00 25.00 H new ATOM 0 HE1 TYR A 54 7.930 14.274 4.574 1.00 25.00 H new ATOM 0 HE2 TYR A 54 6.392 17.127 1.753 1.00 25.00 H new ATOM 0 HH TYR A 54 7.603 17.685 3.491 1.00 25.00 H new ATOM 905 N GLN A 55 2.681 14.127 1.799 1.00 25.00 N ATOM 906 CA GLN A 55 1.976 15.137 2.580 1.00 25.00 C ATOM 907 C GLN A 55 0.815 14.479 3.337 1.00 25.00 C ATOM 908 O GLN A 55 0.547 14.791 4.492 1.00 25.00 O ATOM 909 CB GLN A 55 1.438 16.240 1.671 1.00 25.00 C ATOM 910 CG GLN A 55 2.488 16.968 0.875 1.00 25.00 C ATOM 911 CD GLN A 55 1.975 18.263 0.232 1.00 25.00 C ATOM 912 OE1 GLN A 55 2.160 19.337 0.754 1.00 25.00 O ATOM 913 NE2 GLN A 55 1.322 18.143 -0.902 1.00 25.00 N ATOM 0 H GLN A 55 2.592 14.226 0.788 1.00 25.00 H new ATOM 0 HA GLN A 55 2.673 15.582 3.290 1.00 25.00 H new ATOM 0 HB2 GLN A 55 0.716 15.803 0.981 1.00 25.00 H new ATOM 0 HB3 GLN A 55 0.898 16.964 2.281 1.00 25.00 H new ATOM 0 HG2 GLN A 55 3.330 17.203 1.527 1.00 25.00 H new ATOM 0 HG3 GLN A 55 2.864 16.307 0.094 1.00 25.00 H new ATOM 0 HE21 GLN A 55 1.183 17.221 -1.316 1.00 25.00 H new ATOM 0 HE22 GLN A 55 0.954 18.972 -1.369 1.00 25.00 H new ATOM 922 N VAL A 56 0.166 13.524 2.686 1.00 25.00 N ATOM 923 CA VAL A 56 -0.949 12.780 3.293 1.00 25.00 C ATOM 924 C VAL A 56 -0.416 11.896 4.408 1.00 25.00 C ATOM 925 O VAL A 56 -1.042 11.803 5.457 1.00 25.00 O ATOM 926 CB VAL A 56 -1.724 11.969 2.223 1.00 25.00 C ATOM 927 CG1 VAL A 56 -2.811 11.073 2.886 1.00 25.00 C ATOM 928 CG2 VAL A 56 -2.373 12.913 1.200 1.00 25.00 C ATOM 0 H VAL A 56 0.388 13.239 1.732 1.00 25.00 H new ATOM 0 HA VAL A 56 -1.662 13.482 3.725 1.00 25.00 H new ATOM 0 HB VAL A 56 -1.012 11.324 1.707 1.00 25.00 H new ATOM 0 HG11 VAL A 56 -3.341 10.514 2.115 1.00 25.00 H new ATOM 0 HG12 VAL A 56 -2.336 10.377 3.578 1.00 25.00 H new ATOM 0 HG13 VAL A 56 -3.517 11.700 3.430 1.00 25.00 H new ATOM 0 HG21 VAL A 56 -2.913 12.327 0.456 1.00 25.00 H new ATOM 0 HG22 VAL A 56 -3.067 13.581 1.710 1.00 25.00 H new ATOM 0 HG23 VAL A 56 -1.600 13.502 0.707 1.00 25.00 H new ATOM 938 N GLN A 57 0.745 11.294 4.212 1.00 25.00 N ATOM 939 CA GLN A 57 1.356 10.466 5.268 1.00 25.00 C ATOM 940 C GLN A 57 1.595 11.300 6.510 1.00 25.00 C ATOM 941 O GLN A 57 1.161 10.912 7.572 1.00 25.00 O ATOM 942 CB GLN A 57 2.726 9.914 4.823 1.00 25.00 C ATOM 943 CG GLN A 57 2.650 8.651 3.978 1.00 25.00 C ATOM 944 CD GLN A 57 3.218 7.430 4.696 1.00 25.00 C ATOM 945 OE1 GLN A 57 3.109 7.283 5.902 1.00 25.00 O ATOM 946 NE2 GLN A 57 3.880 6.582 3.945 1.00 25.00 N ATOM 0 H GLN A 57 1.286 11.354 3.349 1.00 25.00 H new ATOM 0 HA GLN A 57 0.668 9.645 5.469 1.00 25.00 H new ATOM 0 HB2 GLN A 57 3.248 10.685 4.256 1.00 25.00 H new ATOM 0 HB3 GLN A 57 3.326 9.708 5.709 1.00 25.00 H new ATOM 0 HG2 GLN A 57 1.611 8.460 3.710 1.00 25.00 H new ATOM 0 HG3 GLN A 57 3.196 8.807 3.047 1.00 25.00 H new ATOM 0 HE21 GLN A 57 3.950 6.738 2.939 1.00 25.00 H new ATOM 0 HE22 GLN A 57 4.325 5.767 4.367 1.00 25.00 H new ATOM 955 N LEU A 58 2.225 12.459 6.377 1.00 25.00 N ATOM 956 CA LEU A 58 2.490 13.304 7.533 1.00 25.00 C ATOM 957 C LEU A 58 1.193 13.794 8.178 1.00 25.00 C ATOM 958 O LEU A 58 1.086 13.851 9.395 1.00 25.00 O ATOM 959 CB LEU A 58 3.315 14.516 7.137 1.00 25.00 C ATOM 960 CG LEU A 58 4.746 14.345 6.612 1.00 25.00 C ATOM 961 CD1 LEU A 58 5.341 15.725 6.373 1.00 25.00 C ATOM 962 CD2 LEU A 58 5.618 13.537 7.586 1.00 25.00 C ATOM 0 H LEU A 58 2.559 12.833 5.489 1.00 25.00 H new ATOM 0 HA LEU A 58 3.041 12.695 8.249 1.00 25.00 H new ATOM 0 HB2 LEU A 58 2.753 15.052 6.372 1.00 25.00 H new ATOM 0 HB3 LEU A 58 3.368 15.168 8.009 1.00 25.00 H new ATOM 0 HG LEU A 58 4.717 13.783 5.678 1.00 25.00 H new ATOM 0 HD11 LEU A 58 6.360 15.622 5.999 1.00 25.00 H new ATOM 0 HD12 LEU A 58 4.737 16.259 5.639 1.00 25.00 H new ATOM 0 HD13 LEU A 58 5.353 16.283 7.309 1.00 25.00 H new ATOM 0 HD21 LEU A 58 6.624 13.438 7.178 1.00 25.00 H new ATOM 0 HD22 LEU A 58 5.665 14.052 8.545 1.00 25.00 H new ATOM 0 HD23 LEU A 58 5.185 12.547 7.727 1.00 25.00 H new ATOM 974 N ALA A 59 0.208 14.118 7.350 1.00 25.00 N ATOM 975 CA ALA A 59 -1.083 14.577 7.849 1.00 25.00 C ATOM 976 C ALA A 59 -1.681 13.537 8.769 1.00 25.00 C ATOM 977 O ALA A 59 -2.221 13.878 9.827 1.00 25.00 O ATOM 978 CB ALA A 59 -2.041 14.871 6.687 1.00 25.00 C ATOM 0 H ALA A 59 0.277 14.072 6.333 1.00 25.00 H new ATOM 0 HA ALA A 59 -0.930 15.500 8.408 1.00 25.00 H new ATOM 0 HB1 ALA A 59 -2.998 15.212 7.082 1.00 25.00 H new ATOM 0 HB2 ALA A 59 -1.614 15.646 6.051 1.00 25.00 H new ATOM 0 HB3 ALA A 59 -2.192 13.964 6.102 1.00 25.00 H new ATOM 984 N GLN A 60 -1.590 12.274 8.381 1.00 25.00 N ATOM 985 CA GLN A 60 -2.111 11.189 9.202 1.00 25.00 C ATOM 986 C GLN A 60 -1.263 10.948 10.473 1.00 25.00 C ATOM 987 O GLN A 60 -1.790 10.551 11.508 1.00 25.00 O ATOM 988 CB GLN A 60 -2.232 9.884 8.400 1.00 25.00 C ATOM 989 CG GLN A 60 -3.316 9.975 7.324 1.00 25.00 C ATOM 990 CD GLN A 60 -3.707 8.616 6.754 1.00 25.00 C ATOM 991 OE1 GLN A 60 -2.894 7.931 6.157 1.00 25.00 O ATOM 992 NE2 GLN A 60 -4.944 8.229 6.929 1.00 25.00 N ATOM 0 H GLN A 60 -1.162 11.974 7.505 1.00 25.00 H new ATOM 0 HA GLN A 60 -3.106 11.502 9.519 1.00 25.00 H new ATOM 0 HB2 GLN A 60 -1.274 9.655 7.932 1.00 25.00 H new ATOM 0 HB3 GLN A 60 -2.461 9.061 9.077 1.00 25.00 H new ATOM 0 HG2 GLN A 60 -4.200 10.453 7.746 1.00 25.00 H new ATOM 0 HG3 GLN A 60 -2.964 10.614 6.515 1.00 25.00 H new ATOM 0 HE21 GLN A 60 -5.599 8.827 7.433 1.00 25.00 H new ATOM 0 HE22 GLN A 60 -5.254 7.330 6.561 1.00 25.00 H new ATOM 1001 N GLN A 61 0.029 11.240 10.427 1.00 25.00 N ATOM 1002 CA GLN A 61 0.842 11.199 11.651 1.00 25.00 C ATOM 1003 C GLN A 61 0.408 12.316 12.596 1.00 25.00 C ATOM 1004 O GLN A 61 0.279 12.077 13.784 1.00 25.00 O ATOM 1005 CB GLN A 61 2.321 11.323 11.348 1.00 25.00 C ATOM 1006 CG GLN A 61 2.811 10.193 10.475 1.00 25.00 C ATOM 1007 CD GLN A 61 4.308 10.085 10.489 1.00 25.00 C ATOM 1008 OE1 GLN A 61 5.003 11.076 10.510 1.00 25.00 O ATOM 1009 NE2 GLN A 61 4.806 8.883 10.491 1.00 25.00 N ATOM 0 H GLN A 61 0.535 11.503 9.581 1.00 25.00 H new ATOM 0 HA GLN A 61 0.682 10.231 12.126 1.00 25.00 H new ATOM 0 HB2 GLN A 61 2.512 12.275 10.852 1.00 25.00 H new ATOM 0 HB3 GLN A 61 2.884 11.332 12.281 1.00 25.00 H new ATOM 0 HG2 GLN A 61 2.376 9.254 10.818 1.00 25.00 H new ATOM 0 HG3 GLN A 61 2.468 10.349 9.452 1.00 25.00 H new ATOM 0 HE21 GLN A 61 4.185 8.074 10.473 1.00 25.00 H new ATOM 0 HE22 GLN A 61 5.817 8.750 10.511 1.00 25.00 H new ATOM 1018 N GLN A 62 0.113 13.508 12.086 1.00 25.00 N ATOM 1019 CA GLN A 62 -0.361 14.599 12.940 1.00 25.00 C ATOM 1020 C GLN A 62 -1.734 14.251 13.534 1.00 25.00 C ATOM 1021 O GLN A 62 -2.036 14.550 14.708 1.00 25.00 O ATOM 1022 CB GLN A 62 -0.408 15.923 12.169 1.00 25.00 C ATOM 1023 CG GLN A 62 0.918 16.271 11.447 1.00 25.00 C ATOM 1024 CD GLN A 62 1.284 17.751 11.469 1.00 25.00 C ATOM 1025 OE1 GLN A 62 2.441 18.120 11.421 1.00 25.00 O ATOM 1026 NE2 GLN A 62 0.284 18.604 11.480 1.00 25.00 N ATOM 0 H GLN A 62 0.192 13.745 11.097 1.00 25.00 H new ATOM 0 HA GLN A 62 0.344 14.726 13.761 1.00 25.00 H new ATOM 0 HB2 GLN A 62 -1.211 15.876 11.433 1.00 25.00 H new ATOM 0 HB3 GLN A 62 -0.657 16.728 12.861 1.00 25.00 H new ATOM 0 HG2 GLN A 62 1.727 15.703 11.907 1.00 25.00 H new ATOM 0 HG3 GLN A 62 0.849 15.943 10.410 1.00 25.00 H new ATOM 0 HE21 GLN A 62 -0.677 18.263 11.521 1.00 25.00 H new ATOM 0 HE22 GLN A 62 0.469 19.607 11.448 1.00 25.00 H new ATOM 1035 N ALA A 63 -2.539 13.557 12.727 1.00 25.00 N ATOM 1036 CA ALA A 63 -3.869 13.123 13.106 1.00 25.00 C ATOM 1037 C ALA A 63 -3.781 12.074 14.246 1.00 25.00 C ATOM 1038 O ALA A 63 -4.661 12.013 15.087 1.00 25.00 O ATOM 1039 CB ALA A 63 -4.554 12.515 11.902 1.00 25.00 C ATOM 0 H ALA A 63 -2.274 13.281 11.781 1.00 25.00 H new ATOM 0 HA ALA A 63 -4.443 13.979 13.461 1.00 25.00 H new ATOM 0 HB1 ALA A 63 -5.555 12.186 12.180 1.00 25.00 H new ATOM 0 HB2 ALA A 63 -4.624 13.259 11.109 1.00 25.00 H new ATOM 0 HB3 ALA A 63 -3.977 11.661 11.548 1.00 25.00 H new ATOM 1045 N ALA A 64 -2.725 11.278 14.247 1.00 25.00 N ATOM 1046 CA ALA A 64 -2.547 10.262 15.287 1.00 25.00 C ATOM 1047 C ALA A 64 -1.940 10.900 16.542 1.00 25.00 C ATOM 1048 O ALA A 64 -2.104 10.397 17.627 1.00 25.00 O ATOM 1049 CB ALA A 64 -1.592 9.169 14.774 1.00 25.00 C ATOM 0 H ALA A 64 -1.981 11.309 13.550 1.00 25.00 H new ATOM 0 HA ALA A 64 -3.517 9.829 15.531 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -1.458 8.411 15.546 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -2.014 8.707 13.882 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -0.627 9.614 14.531 1.00 25.00 H new ATOM 1055 N LEU A 65 -1.215 11.998 16.370 1.00 25.00 N ATOM 1056 CA LEU A 65 -0.546 12.639 17.483 1.00 25.00 C ATOM 1057 C LEU A 65 -1.481 13.511 18.295 1.00 25.00 C ATOM 1058 O LEU A 65 -1.429 13.519 19.522 1.00 25.00 O ATOM 1059 CB LEU A 65 0.642 13.481 16.954 1.00 25.00 C ATOM 1060 CG LEU A 65 1.929 12.712 16.626 1.00 25.00 C ATOM 1061 CD1 LEU A 65 2.932 13.618 15.868 1.00 25.00 C ATOM 1062 CD2 LEU A 65 2.591 12.194 17.918 1.00 25.00 C ATOM 0 H LEU A 65 -1.078 12.459 15.470 1.00 25.00 H new ATOM 0 HA LEU A 65 -0.184 11.855 18.148 1.00 25.00 H new ATOM 0 HB2 LEU A 65 0.317 14.003 16.054 1.00 25.00 H new ATOM 0 HB3 LEU A 65 0.879 14.243 17.697 1.00 25.00 H new ATOM 0 HG LEU A 65 1.661 11.867 15.992 1.00 25.00 H new ATOM 0 HD11 LEU A 65 3.837 13.053 15.646 1.00 25.00 H new ATOM 0 HD12 LEU A 65 2.481 13.961 14.937 1.00 25.00 H new ATOM 0 HD13 LEU A 65 3.185 14.479 16.487 1.00 25.00 H new ATOM 0 HD21 LEU A 65 3.502 11.651 17.667 1.00 25.00 H new ATOM 0 HD22 LEU A 65 2.837 13.037 18.564 1.00 25.00 H new ATOM 0 HD23 LEU A 65 1.903 11.527 18.437 1.00 25.00 H new ATOM 1074 N GLN A 66 -2.297 14.287 17.593 1.00 25.00 N ATOM 1075 CA GLN A 66 -3.245 15.243 18.197 1.00 25.00 C ATOM 1076 C GLN A 66 -2.595 16.129 19.258 1.00 25.00 C ATOM 1077 O GLN A 66 -3.241 16.596 20.172 1.00 25.00 O ATOM 1078 CB GLN A 66 -4.449 14.495 18.772 1.00 25.00 C ATOM 1079 CG GLN A 66 -5.433 14.060 17.726 1.00 25.00 C ATOM 1080 CD GLN A 66 -6.374 15.184 17.331 1.00 25.00 C ATOM 1081 OE1 GLN A 66 -5.989 16.117 16.646 1.00 25.00 O ATOM 1082 NE2 GLN A 66 -7.607 15.101 17.769 1.00 25.00 N ATOM 0 H GLN A 66 -2.327 14.278 16.573 1.00 25.00 H new ATOM 0 HA GLN A 66 -3.582 15.911 17.404 1.00 25.00 H new ATOM 0 HB2 GLN A 66 -4.097 13.619 19.317 1.00 25.00 H new ATOM 0 HB3 GLN A 66 -4.956 15.136 19.493 1.00 25.00 H new ATOM 0 HG2 GLN A 66 -4.895 13.710 16.845 1.00 25.00 H new ATOM 0 HG3 GLN A 66 -6.012 13.216 18.101 1.00 25.00 H new ATOM 0 HE21 GLN A 66 -7.893 14.305 18.340 1.00 25.00 H new ATOM 0 HE22 GLN A 66 -8.280 15.832 17.539 1.00 25.00 H new ATOM 1091 N LYS A 67 -1.300 16.383 19.114 1.00 25.00 N ATOM 1092 CA LYS A 67 -0.532 17.174 20.092 1.00 25.00 C ATOM 1093 C LYS A 67 0.055 18.419 19.414 1.00 25.00 C ATOM 1094 O LYS A 67 1.009 18.997 19.888 1.00 25.00 O ATOM 1095 CB LYS A 67 0.559 16.279 20.713 1.00 25.00 C ATOM 1096 CG LYS A 67 0.559 16.288 22.225 1.00 25.00 C ATOM 1097 CD LYS A 67 1.126 17.612 22.766 1.00 25.00 C ATOM 1098 CE LYS A 67 1.262 17.552 24.284 1.00 25.00 C ATOM 1099 NZ LYS A 67 1.846 18.815 24.859 1.00 25.00 N ATOM 0 H LYS A 67 -0.747 16.052 18.323 1.00 25.00 H new ATOM 0 HA LYS A 67 -1.182 17.523 20.894 1.00 25.00 H new ATOM 0 HB2 LYS A 67 0.420 15.256 20.364 1.00 25.00 H new ATOM 0 HB3 LYS A 67 1.535 16.608 20.356 1.00 25.00 H new ATOM 0 HG2 LYS A 67 -0.457 16.145 22.594 1.00 25.00 H new ATOM 0 HG3 LYS A 67 1.153 15.454 22.598 1.00 25.00 H new ATOM 0 HD2 LYS A 67 2.098 17.810 22.315 1.00 25.00 H new ATOM 0 HD3 LYS A 67 0.471 18.437 22.486 1.00 25.00 H new ATOM 0 HE2 LYS A 67 0.282 17.374 24.727 1.00 25.00 H new ATOM 0 HE3 LYS A 67 1.894 16.706 24.556 1.00 25.00 H new ATOM 0 HZ1 LYS A 67 1.918 18.725 25.893 1.00 25.00 H new ATOM 0 HZ2 LYS A 67 2.793 18.974 24.458 1.00 25.00 H new ATOM 0 HZ3 LYS A 67 1.231 19.620 24.624 1.00 25.00 H new ATOM 1113 N GLN A 68 -0.509 18.765 18.275 1.00 25.00 N ATOM 1114 CA GLN A 68 -0.010 19.876 17.459 1.00 25.00 C ATOM 1115 C GLN A 68 -1.147 20.850 17.135 1.00 25.00 C ATOM 1116 O GLN A 68 -1.520 21.038 15.971 1.00 25.00 O ATOM 1117 CB GLN A 68 0.570 19.322 16.157 1.00 25.00 C ATOM 1118 CG GLN A 68 1.791 18.461 16.340 1.00 25.00 C ATOM 1119 CD GLN A 68 2.270 17.901 15.045 1.00 25.00 C ATOM 1120 OE1 GLN A 68 1.882 16.848 14.627 1.00 25.00 O ATOM 1121 NE2 GLN A 68 3.113 18.652 14.370 1.00 25.00 N ATOM 0 H GLN A 68 -1.323 18.293 17.882 1.00 25.00 H new ATOM 0 HA GLN A 68 0.762 20.408 18.015 1.00 25.00 H new ATOM 0 HB2 GLN A 68 -0.199 18.739 15.650 1.00 25.00 H new ATOM 0 HB3 GLN A 68 0.822 20.156 15.502 1.00 25.00 H new ATOM 0 HG2 GLN A 68 2.586 19.050 16.798 1.00 25.00 H new ATOM 0 HG3 GLN A 68 1.562 17.646 17.026 1.00 25.00 H new ATOM 0 HE21 GLN A 68 3.423 19.544 14.756 1.00 25.00 H new ATOM 0 HE22 GLN A 68 3.457 18.343 13.461 1.00 25.00 H new ATOM 1130 N GLN A 69 -1.705 21.482 18.198 1.00 25.00 N ATOM 1131 CA GLN A 69 -2.834 22.436 18.085 1.00 25.00 C ATOM 1132 C GLN A 69 -4.048 21.805 17.334 1.00 25.00 C ATOM 1133 O GLN A 69 -4.498 22.116 16.257 1.00 25.00 O ATOM 1134 CB GLN A 69 -2.415 23.791 17.459 1.00 25.00 C ATOM 1135 CG GLN A 69 -1.289 24.477 18.265 1.00 25.00 C ATOM 1136 CD GLN A 69 -0.937 25.825 17.718 1.00 25.00 C ATOM 1137 OE1 GLN A 69 -1.709 26.743 17.617 1.00 25.00 O ATOM 1138 NE2 GLN A 69 0.333 26.015 17.352 1.00 25.00 N ATOM 1139 OXT GLN A 69 -4.581 20.832 17.982 1.00 25.00 O ATOM 0 H GLN A 69 -1.384 21.344 19.156 1.00 25.00 H new ATOM 0 HA GLN A 69 -3.154 22.655 19.104 1.00 25.00 H new ATOM 0 HB2 GLN A 69 -2.081 23.629 16.434 1.00 25.00 H new ATOM 0 HB3 GLN A 69 -3.281 24.451 17.411 1.00 25.00 H new ATOM 0 HG2 GLN A 69 -1.600 24.580 19.305 1.00 25.00 H new ATOM 0 HG3 GLN A 69 -0.403 23.842 18.259 1.00 25.00 H new ATOM 0 HE21 GLN A 69 1.005 25.252 17.429 1.00 25.00 H new ATOM 0 HE22 GLN A 69 0.631 26.923 16.996 1.00 25.00 H new TER 1149 GLN A 69