USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 THR OG1 : rot -69:sc= 0.809 USER MOD Set 1.2: A 65 GLN :FLIP amide:sc= 1.8 F(o=-5.9!,f=2.6) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 0.506 USER MOD Set 2.2: A 33 SER OG : rot 121:sc= 0.543 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 7 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.035) USER MOD Single : A 8 GLN : amide:sc= -5.29! C(o=-5.3!,f=-8.7!) USER MOD Single : A 13 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.15) USER MOD Single : A 26 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -6.15! C(o=-6.2!,f=-6.1!) USER MOD Single : A 45 SER OG : rot -18:sc= 0.218! USER MOD Single : A 48 SER OG : rot -71:sc= 1 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -116:sc= -2.17 (180deg=-4.7!) USER MOD Single : A 54 ASN : amide:sc= -0.0125 K(o=-0.012,f=-1.2) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 131:sc= -0.293 (180deg=-1.21) USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= -0.0716 (180deg=-0.44) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 79:sc= 1.21 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.532 -10.599 12.839 1.00 0.00 N ATOM 2 CA GLN A 6 1.596 -9.491 13.001 1.00 0.00 C ATOM 3 C GLN A 6 2.336 -8.218 13.399 1.00 0.00 C ATOM 4 O GLN A 6 1.873 -7.109 13.131 1.00 0.00 O ATOM 5 CB GLN A 6 0.556 -9.836 14.070 1.00 0.00 C ATOM 6 CG GLN A 6 1.262 -10.134 15.395 1.00 0.00 C ATOM 7 CD GLN A 6 0.236 -10.524 16.455 1.00 0.00 C ATOM 8 OE1 GLN A 6 -0.925 -10.122 16.374 1.00 0.00 O ATOM 9 NE2 GLN A 6 0.598 -11.287 17.450 1.00 0.00 N ATOM 0 HA GLN A 6 1.094 -9.323 12.048 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.140 -9.007 14.196 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.030 -10.700 13.756 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.982 -10.941 15.260 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.822 -9.258 15.723 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.560 -11.619 17.515 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.082 -11.552 18.163 1.00 0.00 H new ATOM 18 N GLN A 7 3.490 -8.387 14.037 1.00 0.00 N ATOM 19 CA GLN A 7 4.286 -7.245 14.466 1.00 0.00 C ATOM 20 C GLN A 7 4.461 -6.258 13.319 1.00 0.00 C ATOM 21 O GLN A 7 4.054 -5.101 13.414 1.00 0.00 O ATOM 22 CB GLN A 7 5.659 -7.717 14.950 1.00 0.00 C ATOM 23 CG GLN A 7 5.485 -8.793 16.026 1.00 0.00 C ATOM 24 CD GLN A 7 6.733 -8.867 16.898 1.00 0.00 C ATOM 25 OE1 GLN A 7 7.315 -9.939 17.066 1.00 0.00 O ATOM 26 NE2 GLN A 7 7.183 -7.782 17.468 1.00 0.00 N ATOM 0 H GLN A 7 3.891 -9.296 14.266 1.00 0.00 H new ATOM 0 HA GLN A 7 3.765 -6.748 15.284 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.233 -8.115 14.113 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.223 -6.875 15.352 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.615 -8.566 16.641 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.301 -9.760 15.558 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.700 -6.895 17.328 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.018 -7.822 18.053 1.00 0.00 H new ATOM 35 N GLN A 8 5.069 -6.724 12.232 1.00 0.00 N ATOM 36 CA GLN A 8 5.293 -5.873 11.069 1.00 0.00 C ATOM 37 C GLN A 8 4.040 -5.058 10.750 1.00 0.00 C ATOM 38 O GLN A 8 4.129 -3.912 10.311 1.00 0.00 O ATOM 39 CB GLN A 8 5.674 -6.736 9.858 1.00 0.00 C ATOM 40 CG GLN A 8 6.662 -5.980 8.964 1.00 0.00 C ATOM 41 CD GLN A 8 6.194 -4.544 8.753 1.00 0.00 C ATOM 42 OE1 GLN A 8 5.244 -4.303 8.009 1.00 0.00 O ATOM 43 NE2 GLN A 8 6.807 -3.572 9.370 1.00 0.00 N ATOM 0 H GLN A 8 5.413 -7.679 12.133 1.00 0.00 H new ATOM 0 HA GLN A 8 6.108 -5.185 11.294 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.119 -7.673 10.194 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.780 -6.994 9.289 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.652 -5.984 9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.753 -6.485 8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.594 -3.775 9.986 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.499 -2.609 9.236 1.00 0.00 H new ATOM 52 N ALA A 9 2.876 -5.662 10.972 1.00 0.00 N ATOM 53 CA ALA A 9 1.611 -4.988 10.700 1.00 0.00 C ATOM 54 C ALA A 9 1.367 -3.860 11.699 1.00 0.00 C ATOM 55 O ALA A 9 1.320 -2.690 11.327 1.00 0.00 O ATOM 56 CB ALA A 9 0.459 -5.992 10.769 1.00 0.00 C ATOM 0 H ALA A 9 2.783 -6.610 11.337 1.00 0.00 H new ATOM 0 HA ALA A 9 1.663 -4.559 9.699 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.482 -5.481 10.565 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.615 -6.776 10.028 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.422 -6.436 11.764 1.00 0.00 H new ATOM 62 N VAL A 10 1.206 -4.218 12.968 1.00 0.00 N ATOM 63 CA VAL A 10 0.962 -3.217 14.002 1.00 0.00 C ATOM 64 C VAL A 10 2.133 -2.242 14.088 1.00 0.00 C ATOM 65 O VAL A 10 1.968 -1.095 14.504 1.00 0.00 O ATOM 66 CB VAL A 10 0.755 -3.900 15.355 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.901 -4.880 15.619 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.718 -2.844 16.463 1.00 0.00 C ATOM 0 H VAL A 10 1.239 -5.181 13.304 1.00 0.00 H new ATOM 0 HA VAL A 10 0.062 -2.661 13.740 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.189 -4.445 15.342 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.750 -5.365 16.584 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.923 -5.635 14.833 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.847 -4.339 15.629 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.570 -3.332 17.426 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.660 -2.296 16.475 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.103 -2.151 16.278 1.00 0.00 H new ATOM 78 N LEU A 11 3.310 -2.706 13.693 1.00 0.00 N ATOM 79 CA LEU A 11 4.504 -1.867 13.729 1.00 0.00 C ATOM 80 C LEU A 11 4.423 -0.763 12.676 1.00 0.00 C ATOM 81 O LEU A 11 4.461 0.422 13.003 1.00 0.00 O ATOM 82 CB LEU A 11 5.750 -2.718 13.475 1.00 0.00 C ATOM 83 CG LEU A 11 6.118 -3.509 14.738 1.00 0.00 C ATOM 84 CD1 LEU A 11 7.224 -4.513 14.400 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.616 -2.551 15.833 1.00 0.00 C ATOM 0 H LEU A 11 3.466 -3.652 13.346 1.00 0.00 H new ATOM 0 HA LEU A 11 4.568 -1.409 14.716 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.568 -3.404 12.648 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.583 -2.078 13.182 1.00 0.00 H new ATOM 0 HG LEU A 11 5.236 -4.037 15.101 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.489 -5.077 15.294 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.870 -5.198 13.630 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.101 -3.979 14.035 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.875 -3.121 16.725 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.496 -2.017 15.476 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.830 -1.835 16.075 1.00 0.00 H new ATOM 97 N GLU A 12 4.315 -1.156 11.412 1.00 0.00 N ATOM 98 CA GLU A 12 4.234 -0.178 10.336 1.00 0.00 C ATOM 99 C GLU A 12 2.946 0.632 10.448 1.00 0.00 C ATOM 100 O GLU A 12 2.885 1.786 10.019 1.00 0.00 O ATOM 101 CB GLU A 12 4.291 -0.880 8.974 1.00 0.00 C ATOM 102 CG GLU A 12 2.979 -1.621 8.715 1.00 0.00 C ATOM 103 CD GLU A 12 3.141 -2.567 7.529 1.00 0.00 C ATOM 104 OE1 GLU A 12 3.673 -2.133 6.520 1.00 0.00 O ATOM 105 OE2 GLU A 12 2.730 -3.709 7.646 1.00 0.00 O ATOM 0 H GLU A 12 4.282 -2.130 11.111 1.00 0.00 H new ATOM 0 HA GLU A 12 5.084 0.499 10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.467 -0.149 8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.125 -1.581 8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.688 -2.183 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.181 -0.906 8.514 1.00 0.00 H new ATOM 112 N GLN A 13 1.918 0.018 11.023 1.00 0.00 N ATOM 113 CA GLN A 13 0.630 0.683 11.180 1.00 0.00 C ATOM 114 C GLN A 13 0.675 1.740 12.280 1.00 0.00 C ATOM 115 O GLN A 13 0.124 2.830 12.118 1.00 0.00 O ATOM 116 CB GLN A 13 -0.452 -0.349 11.509 1.00 0.00 C ATOM 117 CG GLN A 13 -1.833 0.298 11.384 1.00 0.00 C ATOM 118 CD GLN A 13 -2.149 0.572 9.918 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.520 -0.342 9.180 1.00 0.00 O ATOM 120 NE2 GLN A 13 -2.023 1.782 9.448 1.00 0.00 N ATOM 0 H GLN A 13 1.951 -0.934 11.387 1.00 0.00 H new ATOM 0 HA GLN A 13 0.396 1.180 10.239 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.375 -1.200 10.832 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.309 -0.732 12.519 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.591 -0.358 11.812 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.860 1.229 11.951 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.716 2.538 10.060 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.232 1.973 8.468 1.00 0.00 H new ATOM 129 N GLU A 14 1.317 1.421 13.403 1.00 0.00 N ATOM 130 CA GLU A 14 1.391 2.376 14.506 1.00 0.00 C ATOM 131 C GLU A 14 2.348 3.520 14.175 1.00 0.00 C ATOM 132 O GLU A 14 2.053 4.683 14.454 1.00 0.00 O ATOM 133 CB GLU A 14 1.816 1.673 15.806 1.00 0.00 C ATOM 134 CG GLU A 14 3.339 1.508 15.859 1.00 0.00 C ATOM 135 CD GLU A 14 3.994 2.795 16.353 1.00 0.00 C ATOM 136 OE1 GLU A 14 3.465 3.386 17.280 1.00 0.00 O ATOM 137 OE2 GLU A 14 5.013 3.169 15.797 1.00 0.00 O ATOM 0 H GLU A 14 1.783 0.530 13.571 1.00 0.00 H new ATOM 0 HA GLU A 14 0.397 2.798 14.653 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.478 2.252 16.666 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.337 0.696 15.871 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.599 0.682 16.521 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.719 1.255 14.869 1.00 0.00 H new ATOM 144 N ARG A 15 3.488 3.192 13.574 1.00 0.00 N ATOM 145 CA ARG A 15 4.459 4.219 13.215 1.00 0.00 C ATOM 146 C ARG A 15 3.910 5.085 12.084 1.00 0.00 C ATOM 147 O ARG A 15 4.037 6.309 12.111 1.00 0.00 O ATOM 148 CB ARG A 15 5.789 3.578 12.800 1.00 0.00 C ATOM 149 CG ARG A 15 5.731 3.139 11.334 1.00 0.00 C ATOM 150 CD ARG A 15 6.917 2.221 11.031 1.00 0.00 C ATOM 151 NE ARG A 15 6.908 1.830 9.627 1.00 0.00 N ATOM 152 CZ ARG A 15 7.273 2.682 8.674 1.00 0.00 C ATOM 153 NH1 ARG A 15 7.649 3.891 8.989 1.00 0.00 N ATOM 154 NH2 ARG A 15 7.255 2.309 7.423 1.00 0.00 N ATOM 0 H ARG A 15 3.759 2.240 13.329 1.00 0.00 H new ATOM 0 HA ARG A 15 4.639 4.850 14.085 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.603 4.288 12.942 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.001 2.719 13.436 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.794 2.618 11.136 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.756 4.011 10.681 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.851 2.732 11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.870 1.334 11.663 1.00 0.00 H new ATOM 0 HE ARG A 15 6.617 0.887 9.371 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.663 4.182 9.966 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.929 4.545 8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.961 1.364 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.535 2.963 6.692 1.00 0.00 H new ATOM 168 N ARG A 16 3.291 4.444 11.096 1.00 0.00 N ATOM 169 CA ARG A 16 2.720 5.172 9.972 1.00 0.00 C ATOM 170 C ARG A 16 1.610 6.097 10.456 1.00 0.00 C ATOM 171 O ARG A 16 1.554 7.268 10.080 1.00 0.00 O ATOM 172 CB ARG A 16 2.158 4.190 8.941 1.00 0.00 C ATOM 173 CG ARG A 16 1.471 4.967 7.815 1.00 0.00 C ATOM 174 CD ARG A 16 1.183 4.024 6.646 1.00 0.00 C ATOM 175 NE ARG A 16 0.376 4.701 5.638 1.00 0.00 N ATOM 176 CZ ARG A 16 0.242 4.200 4.414 1.00 0.00 C ATOM 177 NH1 ARG A 16 0.840 3.083 4.098 1.00 0.00 N ATOM 178 NH2 ARG A 16 -0.486 4.824 3.530 1.00 0.00 N ATOM 0 H ARG A 16 3.174 3.432 11.052 1.00 0.00 H new ATOM 0 HA ARG A 16 3.505 5.769 9.507 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.960 3.574 8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.447 3.514 9.417 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.542 5.408 8.177 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.107 5.789 7.485 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.120 3.685 6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.660 3.137 7.005 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.094 5.574 5.876 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.409 2.596 4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.738 2.698 3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.953 5.697 3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.589 4.440 2.591 1.00 0.00 H new ATOM 192 N ASP A 17 0.733 5.564 11.302 1.00 0.00 N ATOM 193 CA ASP A 17 -0.369 6.352 11.839 1.00 0.00 C ATOM 194 C ASP A 17 0.165 7.569 12.586 1.00 0.00 C ATOM 195 O ASP A 17 -0.290 8.692 12.368 1.00 0.00 O ATOM 196 CB ASP A 17 -1.212 5.497 12.787 1.00 0.00 C ATOM 197 CG ASP A 17 -2.496 6.235 13.152 1.00 0.00 C ATOM 198 OD1 ASP A 17 -2.427 7.131 13.975 1.00 0.00 O ATOM 199 OD2 ASP A 17 -3.529 5.892 12.601 1.00 0.00 O ATOM 0 H ASP A 17 0.764 4.598 11.628 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.991 6.689 11.010 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.452 4.544 12.315 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.643 5.271 13.689 1.00 0.00 H new ATOM 204 N ARG A 18 1.135 7.339 13.465 1.00 0.00 N ATOM 205 CA ARG A 18 1.725 8.428 14.236 1.00 0.00 C ATOM 206 C ARG A 18 2.391 9.438 13.307 1.00 0.00 C ATOM 207 O ARG A 18 2.193 10.646 13.443 1.00 0.00 O ATOM 208 CB ARG A 18 2.763 7.872 15.217 1.00 0.00 C ATOM 209 CG ARG A 18 2.054 7.142 16.364 1.00 0.00 C ATOM 210 CD ARG A 18 1.267 8.143 17.223 1.00 0.00 C ATOM 211 NE ARG A 18 -0.139 8.143 16.832 1.00 0.00 N ATOM 212 CZ ARG A 18 -0.986 7.237 17.310 1.00 0.00 C ATOM 213 NH1 ARG A 18 -0.564 6.325 18.144 1.00 0.00 N ATOM 214 NH2 ARG A 18 -2.239 7.257 16.945 1.00 0.00 N ATOM 0 H ARG A 18 1.526 6.418 13.660 1.00 0.00 H new ATOM 0 HA ARG A 18 0.932 8.928 14.792 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.436 7.189 14.700 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.374 8.683 15.613 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.379 6.387 15.962 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.786 6.620 16.980 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.359 7.881 18.277 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.685 9.143 17.105 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.478 8.851 16.180 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.415 6.308 18.428 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.214 5.630 18.511 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.569 7.968 16.292 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.888 6.561 17.312 1.00 0.00 H new ATOM 228 N GLU A 19 3.180 8.936 12.362 1.00 0.00 N ATOM 229 CA GLU A 19 3.870 9.805 11.415 1.00 0.00 C ATOM 230 C GLU A 19 2.879 10.739 10.725 1.00 0.00 C ATOM 231 O GLU A 19 2.911 11.951 10.931 1.00 0.00 O ATOM 232 CB GLU A 19 4.597 8.959 10.365 1.00 0.00 C ATOM 233 CG GLU A 19 5.879 8.383 10.970 1.00 0.00 C ATOM 234 CD GLU A 19 6.941 9.473 11.084 1.00 0.00 C ATOM 235 OE1 GLU A 19 6.740 10.530 10.510 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.938 9.233 11.745 1.00 0.00 O ATOM 0 H GLU A 19 3.357 7.940 12.232 1.00 0.00 H new ATOM 0 HA GLU A 19 4.596 10.406 11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.950 8.152 10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.836 9.569 9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.670 7.964 11.954 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.249 7.567 10.349 1.00 0.00 H new ATOM 243 N LEU A 20 2.001 10.166 9.907 1.00 0.00 N ATOM 244 CA LEU A 20 1.009 10.963 9.196 1.00 0.00 C ATOM 245 C LEU A 20 0.262 11.873 10.166 1.00 0.00 C ATOM 246 O LEU A 20 0.309 13.097 10.043 1.00 0.00 O ATOM 247 CB LEU A 20 0.014 10.040 8.478 1.00 0.00 C ATOM 248 CG LEU A 20 0.556 9.671 7.094 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.902 8.961 7.243 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.435 8.739 6.393 1.00 0.00 C ATOM 0 H LEU A 20 1.956 9.164 9.722 1.00 0.00 H new ATOM 0 HA LEU A 20 1.522 11.582 8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.150 9.138 9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.951 10.536 8.380 1.00 0.00 H new ATOM 0 HG LEU A 20 0.688 10.577 6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.286 8.699 6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.609 9.622 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.772 8.055 7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.051 8.475 5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.565 7.834 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.395 9.244 6.285 1.00 0.00 H new ATOM 262 N ALA A 21 -0.424 11.269 11.132 1.00 0.00 N ATOM 263 CA ALA A 21 -1.175 12.037 12.119 1.00 0.00 C ATOM 264 C ALA A 21 -0.379 13.257 12.572 1.00 0.00 C ATOM 265 O ALA A 21 -0.940 14.333 12.783 1.00 0.00 O ATOM 266 CB ALA A 21 -1.499 11.159 13.329 1.00 0.00 C ATOM 0 H ALA A 21 -0.475 10.257 11.252 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.102 12.375 11.657 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.060 11.741 14.061 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.096 10.305 13.009 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.572 10.805 13.780 1.00 0.00 H new ATOM 272 N LEU A 22 0.931 13.083 12.716 1.00 0.00 N ATOM 273 CA LEU A 22 1.795 14.178 13.141 1.00 0.00 C ATOM 274 C LEU A 22 1.892 15.230 12.043 1.00 0.00 C ATOM 275 O LEU A 22 1.730 16.423 12.295 1.00 0.00 O ATOM 276 CB LEU A 22 3.194 13.647 13.470 1.00 0.00 C ATOM 277 CG LEU A 22 3.971 14.693 14.281 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.661 14.532 15.773 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.473 14.502 14.055 1.00 0.00 C ATOM 0 H LEU A 22 1.414 12.201 12.546 1.00 0.00 H new ATOM 0 HA LEU A 22 1.365 14.633 14.033 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.117 12.719 14.036 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.730 13.415 12.550 1.00 0.00 H new ATOM 0 HG LEU A 22 3.673 15.690 13.956 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.216 15.278 16.342 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.593 14.669 15.940 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.954 13.534 16.100 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.025 15.245 14.631 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.765 13.503 14.377 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.700 14.622 12.996 1.00 0.00 H new ATOM 291 N ARG A 23 2.154 14.778 10.821 1.00 0.00 N ATOM 292 CA ARG A 23 2.263 15.689 9.690 1.00 0.00 C ATOM 293 C ARG A 23 1.005 16.541 9.579 1.00 0.00 C ATOM 294 O ARG A 23 1.070 17.772 9.609 1.00 0.00 O ATOM 295 CB ARG A 23 2.460 14.895 8.397 1.00 0.00 C ATOM 296 CG ARG A 23 3.908 14.408 8.308 1.00 0.00 C ATOM 297 CD ARG A 23 4.056 13.465 7.113 1.00 0.00 C ATOM 298 NE ARG A 23 3.325 13.986 5.964 1.00 0.00 N ATOM 299 CZ ARG A 23 3.785 15.023 5.271 1.00 0.00 C ATOM 300 NH1 ARG A 23 4.909 15.591 5.614 1.00 0.00 N ATOM 301 NH2 ARG A 23 3.112 15.473 4.247 1.00 0.00 N ATOM 0 H ARG A 23 2.294 13.794 10.591 1.00 0.00 H new ATOM 0 HA ARG A 23 3.122 16.341 9.847 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.778 14.045 8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.222 15.519 7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.583 15.257 8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.187 13.894 9.228 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.110 13.350 6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.681 12.475 7.373 1.00 0.00 H new ATOM 0 HE ARG A 23 2.446 13.548 5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.435 15.239 6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.262 16.387 5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.234 15.029 3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.464 16.269 3.715 1.00 0.00 H new ATOM 315 N ILE A 24 -0.138 15.879 9.458 1.00 0.00 N ATOM 316 CA ILE A 24 -1.405 16.587 9.350 1.00 0.00 C ATOM 317 C ILE A 24 -1.566 17.552 10.517 1.00 0.00 C ATOM 318 O ILE A 24 -1.809 18.743 10.323 1.00 0.00 O ATOM 319 CB ILE A 24 -2.567 15.593 9.342 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.270 14.473 8.341 1.00 0.00 C ATOM 321 CG2 ILE A 24 -3.853 16.314 8.936 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.504 13.583 8.185 1.00 0.00 C ATOM 0 H ILE A 24 -0.214 14.862 9.432 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.411 17.149 8.416 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.690 15.168 10.338 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.992 14.898 7.377 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.423 13.880 8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.681 15.605 8.930 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.063 17.112 9.648 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.733 16.739 7.940 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.290 12.787 7.472 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.762 13.147 9.150 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.340 14.181 7.822 1.00 0.00 H new ATOM 334 N ALA A 25 -1.418 17.032 11.731 1.00 0.00 N ATOM 335 CA ALA A 25 -1.544 17.860 12.923 1.00 0.00 C ATOM 336 C ALA A 25 -0.690 19.114 12.785 1.00 0.00 C ATOM 337 O ALA A 25 -1.146 20.224 13.064 1.00 0.00 O ATOM 338 CB ALA A 25 -1.103 17.071 14.157 1.00 0.00 C ATOM 0 H ALA A 25 -1.212 16.050 11.914 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.588 18.151 13.037 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.200 17.698 15.044 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.731 16.187 14.267 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.063 16.766 14.041 1.00 0.00 H new ATOM 344 N GLN A 26 0.552 18.930 12.348 1.00 0.00 N ATOM 345 CA GLN A 26 1.462 20.053 12.171 1.00 0.00 C ATOM 346 C GLN A 26 1.037 20.899 10.975 1.00 0.00 C ATOM 347 O GLN A 26 1.405 22.068 10.870 1.00 0.00 O ATOM 348 CB GLN A 26 2.888 19.540 11.954 1.00 0.00 C ATOM 349 CG GLN A 26 3.397 18.882 13.238 1.00 0.00 C ATOM 350 CD GLN A 26 3.582 19.933 14.327 1.00 0.00 C ATOM 351 OE1 GLN A 26 3.993 21.057 14.043 1.00 0.00 O ATOM 352 NE2 GLN A 26 3.301 19.631 15.565 1.00 0.00 N ATOM 0 H GLN A 26 0.948 18.020 12.112 1.00 0.00 H new ATOM 0 HA GLN A 26 1.431 20.669 13.070 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.906 18.823 11.134 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.543 20.364 11.671 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.690 18.122 13.571 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.343 18.375 13.046 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.960 18.698 15.798 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.422 20.328 16.300 1.00 0.00 H new ATOM 361 N SER A 27 0.253 20.304 10.081 1.00 0.00 N ATOM 362 CA SER A 27 -0.219 21.020 8.902 1.00 0.00 C ATOM 363 C SER A 27 -1.285 22.032 9.300 1.00 0.00 C ATOM 364 O SER A 27 -1.159 23.225 9.023 1.00 0.00 O ATOM 365 CB SER A 27 -0.795 20.035 7.884 1.00 0.00 C ATOM 366 OG SER A 27 -0.851 20.659 6.608 1.00 0.00 O ATOM 0 H SER A 27 -0.066 19.338 10.149 1.00 0.00 H new ATOM 0 HA SER A 27 0.622 21.546 8.450 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.176 19.139 7.837 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.792 19.718 8.191 1.00 0.00 H new ATOM 0 HG SER A 27 -1.218 20.030 5.952 1.00 0.00 H new ATOM 372 N GLU A 28 -2.328 21.546 9.962 1.00 0.00 N ATOM 373 CA GLU A 28 -3.407 22.417 10.408 1.00 0.00 C ATOM 374 C GLU A 28 -2.883 23.400 11.444 1.00 0.00 C ATOM 375 O GLU A 28 -3.261 24.572 11.455 1.00 0.00 O ATOM 376 CB GLU A 28 -4.533 21.581 11.022 1.00 0.00 C ATOM 377 CG GLU A 28 -4.617 20.228 10.312 1.00 0.00 C ATOM 378 CD GLU A 28 -6.024 19.651 10.445 1.00 0.00 C ATOM 379 OE1 GLU A 28 -6.953 20.298 9.991 1.00 0.00 O ATOM 380 OE2 GLU A 28 -6.150 18.572 10.998 1.00 0.00 O ATOM 0 H GLU A 28 -2.449 20.562 10.200 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.794 22.967 9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.350 21.433 12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.482 22.109 10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.362 20.345 9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.891 19.538 10.741 1.00 0.00 H new ATOM 387 N ALA A 29 -2.009 22.909 12.316 1.00 0.00 N ATOM 388 CA ALA A 29 -1.435 23.745 13.358 1.00 0.00 C ATOM 389 C ALA A 29 -0.600 24.865 12.746 1.00 0.00 C ATOM 390 O ALA A 29 -0.668 26.014 13.184 1.00 0.00 O ATOM 391 CB ALA A 29 -0.561 22.901 14.287 1.00 0.00 C ATOM 0 H ALA A 29 -1.685 21.942 12.321 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.250 24.186 13.932 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.136 23.537 15.064 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.167 22.121 14.748 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.244 22.443 13.712 1.00 0.00 H new ATOM 397 N GLU A 30 0.187 24.523 11.731 1.00 0.00 N ATOM 398 CA GLU A 30 1.031 25.509 11.067 1.00 0.00 C ATOM 399 C GLU A 30 0.194 26.395 10.151 1.00 0.00 C ATOM 400 O GLU A 30 0.568 27.530 9.856 1.00 0.00 O ATOM 401 CB GLU A 30 2.115 24.803 10.249 1.00 0.00 C ATOM 402 CG GLU A 30 3.136 24.163 11.195 1.00 0.00 C ATOM 403 CD GLU A 30 3.946 23.104 10.454 1.00 0.00 C ATOM 404 OE1 GLU A 30 3.396 22.482 9.561 1.00 0.00 O ATOM 405 OE2 GLU A 30 5.106 22.930 10.793 1.00 0.00 O ATOM 0 H GLU A 30 0.258 23.578 11.353 1.00 0.00 H new ATOM 0 HA GLU A 30 1.501 26.132 11.828 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.666 24.041 9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.611 25.516 9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.802 24.928 11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.623 23.711 12.044 1.00 0.00 H new ATOM 412 N LEU A 31 -0.944 25.869 9.708 1.00 0.00 N ATOM 413 CA LEU A 31 -1.833 26.620 8.828 1.00 0.00 C ATOM 414 C LEU A 31 -1.105 27.035 7.554 1.00 0.00 C ATOM 415 O LEU A 31 -1.419 28.065 6.956 1.00 0.00 O ATOM 416 CB LEU A 31 -2.355 27.865 9.556 1.00 0.00 C ATOM 417 CG LEU A 31 -3.673 28.330 8.918 1.00 0.00 C ATOM 418 CD1 LEU A 31 -4.848 27.565 9.536 1.00 0.00 C ATOM 419 CD2 LEU A 31 -3.861 29.829 9.170 1.00 0.00 C ATOM 0 H LEU A 31 -1.271 24.932 9.942 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.672 25.980 8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.511 27.641 10.611 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.615 28.664 9.505 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.638 28.137 7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.780 27.899 9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.720 26.497 9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.881 27.754 10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.796 30.160 8.718 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.891 30.017 10.243 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.030 30.379 8.729 1.00 0.00 H new ATOM 431 N ILE A 32 -0.133 26.227 7.141 1.00 0.00 N ATOM 432 CA ILE A 32 0.631 26.520 5.933 1.00 0.00 C ATOM 433 C ILE A 32 -0.112 26.015 4.699 1.00 0.00 C ATOM 434 O ILE A 32 0.220 26.379 3.570 1.00 0.00 O ATOM 435 CB ILE A 32 2.013 25.857 6.018 1.00 0.00 C ATOM 436 CG1 ILE A 32 2.887 26.614 7.033 1.00 0.00 C ATOM 437 CG2 ILE A 32 2.682 25.872 4.639 1.00 0.00 C ATOM 438 CD1 ILE A 32 3.593 27.794 6.354 1.00 0.00 C ATOM 0 H ILE A 32 0.143 25.370 7.621 1.00 0.00 H new ATOM 0 HA ILE A 32 0.754 27.600 5.849 1.00 0.00 H new ATOM 0 HB ILE A 32 1.898 24.824 6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.270 26.975 7.856 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.626 25.938 7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.662 25.400 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.063 25.324 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.797 26.902 4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.207 28.320 7.085 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.226 27.424 5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.848 28.478 5.947 1.00 0.00 H new ATOM 450 N SER A 33 -1.117 25.175 4.923 1.00 0.00 N ATOM 451 CA SER A 33 -1.903 24.626 3.823 1.00 0.00 C ATOM 452 C SER A 33 -2.945 25.636 3.352 1.00 0.00 C ATOM 453 O SER A 33 -4.148 25.388 3.437 1.00 0.00 O ATOM 454 CB SER A 33 -2.601 23.342 4.270 1.00 0.00 C ATOM 455 OG SER A 33 -1.630 22.320 4.458 1.00 0.00 O ATOM 0 H SER A 33 -1.405 24.861 5.850 1.00 0.00 H new ATOM 0 HA SER A 33 -1.229 24.404 2.996 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.147 23.515 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.331 23.032 3.523 1.00 0.00 H new ATOM 0 HG SER A 33 -1.670 21.996 5.382 1.00 0.00 H new ATOM 461 N ASP A 34 -2.474 26.777 2.856 1.00 0.00 N ATOM 462 CA ASP A 34 -3.374 27.818 2.375 1.00 0.00 C ATOM 463 C ASP A 34 -4.219 27.305 1.212 1.00 0.00 C ATOM 464 O ASP A 34 -5.282 27.849 0.918 1.00 0.00 O ATOM 465 CB ASP A 34 -2.566 29.036 1.922 1.00 0.00 C ATOM 466 CG ASP A 34 -3.504 30.193 1.594 1.00 0.00 C ATOM 467 OD1 ASP A 34 -4.334 30.025 0.715 1.00 0.00 O ATOM 468 OD2 ASP A 34 -3.381 31.228 2.227 1.00 0.00 O ATOM 0 H ASP A 34 -1.482 27.002 2.777 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.038 28.103 3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.870 29.333 2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.969 28.781 1.046 1.00 0.00 H new ATOM 473 N GLU A 35 -3.736 26.255 0.555 1.00 0.00 N ATOM 474 CA GLU A 35 -4.456 25.678 -0.574 1.00 0.00 C ATOM 475 C GLU A 35 -5.838 25.199 -0.144 1.00 0.00 C ATOM 476 O GLU A 35 -6.793 25.252 -0.920 1.00 0.00 O ATOM 477 CB GLU A 35 -3.664 24.502 -1.149 1.00 0.00 C ATOM 478 CG GLU A 35 -3.559 23.395 -0.099 1.00 0.00 C ATOM 479 CD GLU A 35 -2.567 22.331 -0.558 1.00 0.00 C ATOM 480 OE1 GLU A 35 -2.159 22.387 -1.706 1.00 0.00 O ATOM 481 OE2 GLU A 35 -2.230 21.479 0.246 1.00 0.00 O ATOM 0 H GLU A 35 -2.857 25.790 0.782 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.574 26.448 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.155 24.122 -2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.668 24.831 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.238 23.816 0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.538 22.944 0.065 1.00 0.00 H new ATOM 488 N ALA A 36 -5.939 24.732 1.095 1.00 0.00 N ATOM 489 CA ALA A 36 -7.210 24.245 1.617 1.00 0.00 C ATOM 490 C ALA A 36 -8.175 25.403 1.845 1.00 0.00 C ATOM 491 O ALA A 36 -9.275 25.426 1.292 1.00 0.00 O ATOM 492 CB ALA A 36 -6.982 23.501 2.934 1.00 0.00 C ATOM 0 H ALA A 36 -5.161 24.680 1.753 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.645 23.564 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.936 23.140 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.316 22.655 2.763 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.531 24.177 3.660 1.00 0.00 H new ATOM 498 N GLN A 37 -7.755 26.364 2.661 1.00 0.00 N ATOM 499 CA GLN A 37 -8.590 27.522 2.954 1.00 0.00 C ATOM 500 C GLN A 37 -8.935 28.273 1.671 1.00 0.00 C ATOM 501 O GLN A 37 -10.084 28.658 1.456 1.00 0.00 O ATOM 502 CB GLN A 37 -7.861 28.460 3.919 1.00 0.00 C ATOM 503 CG GLN A 37 -7.694 27.770 5.274 1.00 0.00 C ATOM 504 CD GLN A 37 -6.678 26.639 5.162 1.00 0.00 C ATOM 505 OE1 GLN A 37 -5.580 26.839 4.643 1.00 0.00 O ATOM 506 NE2 GLN A 37 -6.979 25.455 5.623 1.00 0.00 N ATOM 0 H GLN A 37 -6.848 26.364 3.128 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.514 27.174 3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.886 28.729 3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.424 29.386 4.038 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.365 28.492 6.021 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.653 27.376 5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.889 25.291 6.053 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.304 24.694 5.553 1.00 0.00 H new ATOM 515 N ALA A 38 -7.932 28.474 0.823 1.00 0.00 N ATOM 516 CA ALA A 38 -8.141 29.178 -0.437 1.00 0.00 C ATOM 517 C ALA A 38 -9.159 28.439 -1.299 1.00 0.00 C ATOM 518 O ALA A 38 -10.127 29.029 -1.779 1.00 0.00 O ATOM 519 CB ALA A 38 -6.818 29.301 -1.196 1.00 0.00 C ATOM 0 H ALA A 38 -6.974 28.162 0.983 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.523 30.174 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.985 29.828 -2.135 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.102 29.856 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.424 28.306 -1.403 1.00 0.00 H new ATOM 525 N ASP A 39 -8.935 27.142 -1.490 1.00 0.00 N ATOM 526 CA ASP A 39 -9.841 26.333 -2.296 1.00 0.00 C ATOM 527 C ASP A 39 -11.249 26.364 -1.708 1.00 0.00 C ATOM 528 O ASP A 39 -12.159 26.963 -2.283 1.00 0.00 O ATOM 529 CB ASP A 39 -9.342 24.888 -2.352 1.00 0.00 C ATOM 530 CG ASP A 39 -10.252 24.056 -3.247 1.00 0.00 C ATOM 531 OD1 ASP A 39 -10.202 24.247 -4.451 1.00 0.00 O ATOM 532 OD2 ASP A 39 -10.987 23.240 -2.716 1.00 0.00 O ATOM 0 H ASP A 39 -8.141 26.633 -1.101 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.869 26.746 -3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.321 24.862 -2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.319 24.464 -1.348 1.00 0.00 H new ATOM 537 N LEU A 40 -11.420 25.716 -0.559 1.00 0.00 N ATOM 538 CA LEU A 40 -12.721 25.676 0.098 1.00 0.00 C ATOM 539 C LEU A 40 -13.408 27.036 0.014 1.00 0.00 C ATOM 540 O LEU A 40 -14.601 27.123 -0.273 1.00 0.00 O ATOM 541 CB LEU A 40 -12.549 25.279 1.568 1.00 0.00 C ATOM 542 CG LEU A 40 -12.210 23.785 1.667 1.00 0.00 C ATOM 543 CD1 LEU A 40 -11.390 23.527 2.934 1.00 0.00 C ATOM 544 CD2 LEU A 40 -13.503 22.964 1.729 1.00 0.00 C ATOM 0 H LEU A 40 -10.680 25.215 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.342 24.938 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.756 25.872 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.464 25.491 2.121 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.633 23.491 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.150 22.466 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.467 24.106 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.968 23.826 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.258 21.904 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.081 23.261 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -14.090 23.142 0.828 1.00 0.00 H new ATOM 556 N ALA A 41 -12.644 28.094 0.264 1.00 0.00 N ATOM 557 CA ALA A 41 -13.188 29.446 0.213 1.00 0.00 C ATOM 558 C ALA A 41 -13.738 29.751 -1.177 1.00 0.00 C ATOM 559 O ALA A 41 -14.836 30.289 -1.316 1.00 0.00 O ATOM 560 CB ALA A 41 -12.100 30.462 0.566 1.00 0.00 C ATOM 0 H ALA A 41 -11.654 28.043 0.502 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.000 29.517 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.515 31.469 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.729 30.263 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.280 30.379 -0.147 1.00 0.00 H new ATOM 566 N LEU A 42 -12.967 29.404 -2.203 1.00 0.00 N ATOM 567 CA LEU A 42 -13.389 29.648 -3.578 1.00 0.00 C ATOM 568 C LEU A 42 -14.682 28.897 -3.883 1.00 0.00 C ATOM 569 O LEU A 42 -15.554 29.405 -4.587 1.00 0.00 O ATOM 570 CB LEU A 42 -12.292 29.201 -4.550 1.00 0.00 C ATOM 571 CG LEU A 42 -11.139 30.215 -4.537 1.00 0.00 C ATOM 572 CD1 LEU A 42 -9.840 29.521 -4.949 1.00 0.00 C ATOM 573 CD2 LEU A 42 -11.436 31.353 -5.521 1.00 0.00 C ATOM 0 H LEU A 42 -12.055 28.957 -2.110 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.566 30.717 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.924 28.215 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.700 29.113 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.035 30.622 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.023 30.243 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.620 28.715 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.949 29.110 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.615 32.069 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.546 30.946 -6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.359 31.854 -5.230 1.00 0.00 H new ATOM 585 N ARG A 43 -14.799 27.687 -3.347 1.00 0.00 N ATOM 586 CA ARG A 43 -15.993 26.878 -3.570 1.00 0.00 C ATOM 587 C ARG A 43 -17.156 27.403 -2.735 1.00 0.00 C ATOM 588 O ARG A 43 -18.311 27.353 -3.160 1.00 0.00 O ATOM 589 CB ARG A 43 -15.717 25.419 -3.204 1.00 0.00 C ATOM 590 CG ARG A 43 -14.382 24.982 -3.809 1.00 0.00 C ATOM 591 CD ARG A 43 -14.298 23.455 -3.819 1.00 0.00 C ATOM 592 NE ARG A 43 -13.073 23.021 -4.482 1.00 0.00 N ATOM 593 CZ ARG A 43 -12.931 21.772 -4.913 1.00 0.00 C ATOM 594 NH1 ARG A 43 -13.896 20.910 -4.747 1.00 0.00 N ATOM 595 NH2 ARG A 43 -11.826 21.408 -5.505 1.00 0.00 N ATOM 0 H ARG A 43 -14.090 27.247 -2.761 1.00 0.00 H new ATOM 0 HA ARG A 43 -16.258 26.940 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.692 25.304 -2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.521 24.782 -3.574 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.288 25.368 -4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.556 25.398 -3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.321 23.076 -2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.165 23.039 -4.333 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.313 23.687 -4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.760 21.195 -4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.786 19.952 -5.078 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.072 22.082 -5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.717 20.449 -5.836 1.00 0.00 H new ATOM 609 N ARG A 44 -16.845 27.900 -1.544 1.00 0.00 N ATOM 610 CA ARG A 44 -17.869 28.428 -0.655 1.00 0.00 C ATOM 611 C ARG A 44 -18.416 29.752 -1.186 1.00 0.00 C ATOM 612 O ARG A 44 -19.317 30.344 -0.594 1.00 0.00 O ATOM 613 CB ARG A 44 -17.282 28.631 0.747 1.00 0.00 C ATOM 614 CG ARG A 44 -18.362 28.377 1.799 1.00 0.00 C ATOM 615 CD ARG A 44 -17.781 28.609 3.195 1.00 0.00 C ATOM 616 NE ARG A 44 -18.702 28.114 4.213 1.00 0.00 N ATOM 617 CZ ARG A 44 -18.397 28.177 5.504 1.00 0.00 C ATOM 618 NH1 ARG A 44 -17.256 28.688 5.881 1.00 0.00 N ATOM 619 NH2 ARG A 44 -19.238 27.728 6.396 1.00 0.00 N ATOM 0 H ARG A 44 -15.896 27.948 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 44 -18.689 27.712 -0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -16.443 27.953 0.902 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.895 29.645 0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -19.210 29.041 1.632 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -18.734 27.356 1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.820 28.102 3.286 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -17.596 29.672 3.348 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.595 27.713 3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.599 29.039 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.022 28.736 6.873 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.129 27.329 6.101 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -19.004 27.776 7.388 1.00 0.00 H new ATOM 633 N SER A 45 -17.862 30.211 -2.305 1.00 0.00 N ATOM 634 CA SER A 45 -18.302 31.467 -2.906 1.00 0.00 C ATOM 635 C SER A 45 -19.439 31.222 -3.893 1.00 0.00 C ATOM 636 O SER A 45 -20.146 32.150 -4.283 1.00 0.00 O ATOM 637 CB SER A 45 -17.134 32.136 -3.630 1.00 0.00 C ATOM 638 OG SER A 45 -17.602 33.297 -4.304 1.00 0.00 O ATOM 0 H SER A 45 -17.114 29.737 -2.811 1.00 0.00 H new ATOM 0 HA SER A 45 -18.661 32.121 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 45 -16.355 32.405 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 45 -16.688 31.443 -4.343 1.00 0.00 H new ATOM 0 HG SER A 45 -18.576 33.249 -4.400 1.00 0.00 H new ATOM 644 N LEU A 46 -19.609 29.966 -4.293 1.00 0.00 N ATOM 645 CA LEU A 46 -20.665 29.611 -5.236 1.00 0.00 C ATOM 646 C LEU A 46 -22.038 29.824 -4.605 1.00 0.00 C ATOM 647 O LEU A 46 -23.057 29.817 -5.297 1.00 0.00 O ATOM 648 CB LEU A 46 -20.515 28.146 -5.660 1.00 0.00 C ATOM 649 CG LEU A 46 -19.404 28.012 -6.712 1.00 0.00 C ATOM 650 CD1 LEU A 46 -19.856 28.630 -8.042 1.00 0.00 C ATOM 651 CD2 LEU A 46 -18.144 28.729 -6.217 1.00 0.00 C ATOM 0 H LEU A 46 -19.035 29.182 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 46 -20.577 30.253 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -20.280 27.530 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -21.457 27.779 -6.066 1.00 0.00 H new ATOM 0 HG LEU A 46 -19.188 26.955 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -19.060 28.529 -8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -20.748 28.115 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -20.082 29.686 -7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -17.355 28.634 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -18.366 29.784 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.814 28.280 -5.281 1.00 0.00 H new ATOM 663 N ASP A 47 -22.059 30.014 -3.291 1.00 0.00 N ATOM 664 CA ASP A 47 -23.315 30.228 -2.580 1.00 0.00 C ATOM 665 C ASP A 47 -23.812 31.655 -2.790 1.00 0.00 C ATOM 666 O ASP A 47 -25.005 31.931 -2.664 1.00 0.00 O ATOM 667 CB ASP A 47 -23.120 29.968 -1.085 1.00 0.00 C ATOM 668 CG ASP A 47 -24.473 29.908 -0.386 1.00 0.00 C ATOM 669 OD1 ASP A 47 -25.260 29.044 -0.735 1.00 0.00 O ATOM 670 OD2 ASP A 47 -24.703 30.727 0.489 1.00 0.00 O ATOM 0 H ASP A 47 -21.228 30.024 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 47 -24.058 29.535 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.583 29.031 -0.937 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -22.510 30.758 -0.647 1.00 0.00 H new ATOM 675 N SER A 48 -22.890 32.557 -3.108 1.00 0.00 N ATOM 676 CA SER A 48 -23.245 33.955 -3.332 1.00 0.00 C ATOM 677 C SER A 48 -23.677 34.174 -4.779 1.00 0.00 C ATOM 678 O SER A 48 -22.968 34.812 -5.557 1.00 0.00 O ATOM 679 CB SER A 48 -22.051 34.854 -3.014 1.00 0.00 C ATOM 680 OG SER A 48 -22.274 36.144 -3.565 1.00 0.00 O ATOM 0 H SER A 48 -21.897 32.348 -3.216 1.00 0.00 H new ATOM 0 HA SER A 48 -24.076 34.208 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 48 -21.913 34.926 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 48 -21.138 34.424 -3.425 1.00 0.00 H new ATOM 0 HG SER A 48 -22.210 36.098 -4.542 1.00 0.00 H new ATOM 686 N TYR A 49 -24.843 33.644 -5.131 1.00 0.00 N ATOM 687 CA TYR A 49 -25.360 33.790 -6.487 1.00 0.00 C ATOM 688 C TYR A 49 -25.657 35.261 -6.785 1.00 0.00 C ATOM 689 O TYR A 49 -25.893 36.051 -5.870 1.00 0.00 O ATOM 690 CB TYR A 49 -26.637 32.954 -6.654 1.00 0.00 C ATOM 691 CG TYR A 49 -27.320 32.800 -5.316 1.00 0.00 C ATOM 692 CD1 TYR A 49 -27.873 33.919 -4.681 1.00 0.00 C ATOM 693 CD2 TYR A 49 -27.400 31.541 -4.709 1.00 0.00 C ATOM 694 CE1 TYR A 49 -28.504 33.778 -3.440 1.00 0.00 C ATOM 695 CE2 TYR A 49 -28.034 31.400 -3.468 1.00 0.00 C ATOM 696 CZ TYR A 49 -28.585 32.518 -2.834 1.00 0.00 C ATOM 697 OH TYR A 49 -29.209 32.380 -1.610 1.00 0.00 O ATOM 0 H TYR A 49 -25.445 33.113 -4.501 1.00 0.00 H new ATOM 0 HA TYR A 49 -24.607 33.434 -7.190 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -27.309 33.436 -7.364 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -26.391 31.974 -7.063 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -27.812 34.890 -5.149 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -26.973 30.678 -5.198 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -28.929 34.641 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -28.097 30.428 -3.001 1.00 0.00 H new ATOM 0 HH TYR A 49 -29.179 31.441 -1.331 1.00 0.00 H new ATOM 707 N PRO A 50 -25.648 35.639 -8.037 1.00 0.00 N ATOM 708 CA PRO A 50 -25.922 37.045 -8.453 1.00 0.00 C ATOM 709 C PRO A 50 -27.382 37.433 -8.237 1.00 0.00 C ATOM 710 O PRO A 50 -28.288 36.827 -8.808 1.00 0.00 O ATOM 711 CB PRO A 50 -25.561 37.062 -9.943 1.00 0.00 C ATOM 712 CG PRO A 50 -25.714 35.648 -10.398 1.00 0.00 C ATOM 713 CD PRO A 50 -25.376 34.771 -9.193 1.00 0.00 C ATOM 0 HA PRO A 50 -25.351 37.765 -7.867 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -26.219 37.729 -10.500 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -24.542 37.418 -10.098 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -26.730 35.459 -10.744 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -25.048 35.434 -11.234 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -25.990 33.870 -9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -24.335 34.447 -9.214 1.00 0.00 H new ATOM 721 N VAL A 51 -27.597 38.449 -7.410 1.00 0.00 N ATOM 722 CA VAL A 51 -28.947 38.919 -7.120 1.00 0.00 C ATOM 723 C VAL A 51 -29.391 39.944 -8.159 1.00 0.00 C ATOM 724 O VAL A 51 -28.563 40.582 -8.808 1.00 0.00 O ATOM 725 CB VAL A 51 -28.992 39.549 -5.726 1.00 0.00 C ATOM 726 CG1 VAL A 51 -28.961 38.448 -4.665 1.00 0.00 C ATOM 727 CG2 VAL A 51 -27.781 40.465 -5.544 1.00 0.00 C ATOM 0 H VAL A 51 -26.857 38.962 -6.930 1.00 0.00 H new ATOM 0 HA VAL A 51 -29.625 38.066 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 51 -29.909 40.129 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -28.993 38.898 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -29.823 37.793 -4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -28.045 37.867 -4.770 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -27.811 40.915 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -26.865 39.883 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -27.802 41.251 -6.299 1.00 0.00 H new ATOM 737 N SER A 52 -30.702 40.097 -8.310 1.00 0.00 N ATOM 738 CA SER A 52 -31.244 41.049 -9.273 1.00 0.00 C ATOM 739 C SER A 52 -31.053 42.480 -8.778 1.00 0.00 C ATOM 740 O SER A 52 -31.672 42.895 -7.799 1.00 0.00 O ATOM 741 CB SER A 52 -32.733 40.777 -9.494 1.00 0.00 C ATOM 742 OG SER A 52 -32.946 39.374 -9.577 1.00 0.00 O ATOM 0 H SER A 52 -31.404 39.579 -7.783 1.00 0.00 H new ATOM 0 HA SER A 52 -30.709 40.929 -10.215 1.00 0.00 H new ATOM 0 HB2 SER A 52 -33.317 41.197 -8.675 1.00 0.00 H new ATOM 0 HB3 SER A 52 -33.071 41.263 -10.409 1.00 0.00 H new ATOM 0 HG SER A 52 -33.899 39.196 -9.717 1.00 0.00 H new ATOM 748 N LYS A 53 -30.191 43.226 -9.460 1.00 0.00 N ATOM 749 CA LYS A 53 -29.926 44.609 -9.079 1.00 0.00 C ATOM 750 C LYS A 53 -31.110 45.501 -9.440 1.00 0.00 C ATOM 751 O LYS A 53 -31.906 45.169 -10.318 1.00 0.00 O ATOM 752 CB LYS A 53 -28.670 45.116 -9.789 1.00 0.00 C ATOM 753 CG LYS A 53 -28.882 45.062 -11.304 1.00 0.00 C ATOM 754 CD LYS A 53 -27.547 45.297 -12.018 1.00 0.00 C ATOM 755 CE LYS A 53 -26.986 46.666 -11.625 1.00 0.00 C ATOM 756 NZ LYS A 53 -26.258 46.551 -10.328 1.00 0.00 N ATOM 0 H LYS A 53 -29.668 42.900 -10.273 1.00 0.00 H new ATOM 0 HA LYS A 53 -29.773 44.645 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -28.451 46.138 -9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -27.811 44.507 -9.510 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -29.293 44.094 -11.590 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -29.606 45.818 -11.607 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -26.838 44.513 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -27.687 45.247 -13.098 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -26.313 47.032 -12.401 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -27.795 47.391 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -26.741 47.124 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -26.242 45.556 -10.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -25.283 46.893 -10.446 1.00 0.00 H new ATOM 770 N ASN A 54 -31.220 46.635 -8.756 1.00 0.00 N ATOM 771 CA ASN A 54 -32.310 47.568 -9.012 1.00 0.00 C ATOM 772 C ASN A 54 -33.658 46.860 -8.903 1.00 0.00 C ATOM 773 O ASN A 54 -34.378 46.721 -9.892 1.00 0.00 O ATOM 774 CB ASN A 54 -32.161 48.174 -10.409 1.00 0.00 C ATOM 775 CG ASN A 54 -30.802 48.853 -10.539 1.00 0.00 C ATOM 776 OD1 ASN A 54 -30.174 49.185 -9.534 1.00 0.00 O ATOM 777 ND2 ASN A 54 -30.308 49.081 -11.725 1.00 0.00 N ATOM 0 H ASN A 54 -30.572 46.928 -8.025 1.00 0.00 H new ATOM 0 HA ASN A 54 -32.268 48.361 -8.266 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -32.262 47.395 -11.165 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -32.957 48.897 -10.588 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -29.400 49.535 -11.820 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -30.830 48.805 -12.557 1.00 0.00 H new ATOM 784 N ASP A 55 -33.990 46.415 -7.696 1.00 0.00 N ATOM 785 CA ASP A 55 -35.255 45.722 -7.466 1.00 0.00 C ATOM 786 C ASP A 55 -35.799 46.047 -6.079 1.00 0.00 C ATOM 787 O ASP A 55 -36.944 46.477 -5.936 1.00 0.00 O ATOM 788 CB ASP A 55 -35.053 44.210 -7.594 1.00 0.00 C ATOM 789 CG ASP A 55 -36.401 43.500 -7.559 1.00 0.00 C ATOM 790 OD1 ASP A 55 -37.307 44.020 -6.927 1.00 0.00 O ATOM 791 OD2 ASP A 55 -36.509 42.446 -8.163 1.00 0.00 O ATOM 0 H ASP A 55 -33.406 46.520 -6.866 1.00 0.00 H new ATOM 0 HA ASP A 55 -35.973 46.058 -8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -34.536 43.981 -8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -34.421 43.849 -6.782 1.00 0.00 H new ATOM 796 N GLY A 56 -34.971 45.842 -5.061 1.00 0.00 N ATOM 797 CA GLY A 56 -35.379 46.118 -3.688 1.00 0.00 C ATOM 798 C GLY A 56 -36.242 44.989 -3.136 1.00 0.00 C ATOM 799 O GLY A 56 -36.435 44.877 -1.926 1.00 0.00 O ATOM 0 H GLY A 56 -34.019 45.488 -5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -34.496 46.245 -3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -35.934 47.056 -3.651 1.00 0.00 H new ATOM 803 N THR A 57 -36.760 44.153 -4.031 1.00 0.00 N ATOM 804 CA THR A 57 -37.601 43.035 -3.619 1.00 0.00 C ATOM 805 C THR A 57 -37.946 42.153 -4.815 1.00 0.00 C ATOM 806 O THR A 57 -38.897 42.425 -5.547 1.00 0.00 O ATOM 807 CB THR A 57 -38.890 43.560 -2.981 1.00 0.00 C ATOM 808 OG1 THR A 57 -39.887 42.548 -3.035 1.00 0.00 O ATOM 809 CG2 THR A 57 -39.372 44.796 -3.741 1.00 0.00 C ATOM 0 H THR A 57 -36.614 44.227 -5.038 1.00 0.00 H new ATOM 0 HA THR A 57 -37.050 42.440 -2.891 1.00 0.00 H new ATOM 0 HB THR A 57 -38.699 43.829 -1.942 1.00 0.00 H new ATOM 0 HG1 THR A 57 -40.713 42.881 -2.626 1.00 0.00 H new ATOM 0 HG21 THR A 57 -40.290 45.168 -3.286 1.00 0.00 H new ATOM 0 HG22 THR A 57 -38.606 45.570 -3.699 1.00 0.00 H new ATOM 0 HG23 THR A 57 -39.564 44.532 -4.781 1.00 0.00 H new ATOM 817 N ARG A 58 -37.165 41.094 -5.006 1.00 0.00 N ATOM 818 CA ARG A 58 -37.395 40.175 -6.118 1.00 0.00 C ATOM 819 C ARG A 58 -38.432 39.122 -5.731 1.00 0.00 C ATOM 820 O ARG A 58 -38.750 38.949 -4.554 1.00 0.00 O ATOM 821 CB ARG A 58 -36.079 39.486 -6.523 1.00 0.00 C ATOM 822 CG ARG A 58 -34.971 39.885 -5.554 1.00 0.00 C ATOM 823 CD ARG A 58 -33.664 39.193 -5.950 1.00 0.00 C ATOM 824 NE ARG A 58 -32.775 39.096 -4.797 1.00 0.00 N ATOM 825 CZ ARG A 58 -32.896 38.107 -3.917 1.00 0.00 C ATOM 826 NH1 ARG A 58 -33.820 37.199 -4.079 1.00 0.00 N ATOM 827 NH2 ARG A 58 -32.091 38.043 -2.893 1.00 0.00 N ATOM 0 H ARG A 58 -36.373 40.851 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 58 -37.771 40.748 -6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -36.207 38.404 -6.518 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -35.806 39.770 -7.539 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -34.838 40.967 -5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -35.247 39.607 -4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -33.875 38.197 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -33.176 39.752 -6.749 1.00 0.00 H new ATOM 0 HE ARG A 58 -32.048 39.799 -4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -34.449 37.249 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -33.913 36.440 -3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -31.368 38.752 -2.767 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -32.184 37.284 -2.218 1.00 0.00 H new ATOM 841 N PRO A 59 -38.954 38.421 -6.702 1.00 0.00 N ATOM 842 CA PRO A 59 -39.976 37.358 -6.474 1.00 0.00 C ATOM 843 C PRO A 59 -39.370 36.113 -5.826 1.00 0.00 C ATOM 844 O PRO A 59 -38.175 36.072 -5.536 1.00 0.00 O ATOM 845 CB PRO A 59 -40.493 37.049 -7.882 1.00 0.00 C ATOM 846 CG PRO A 59 -39.372 37.415 -8.799 1.00 0.00 C ATOM 847 CD PRO A 59 -38.625 38.570 -8.128 1.00 0.00 C ATOM 0 HA PRO A 59 -40.761 37.679 -5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -40.756 35.996 -7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -41.390 37.625 -8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -38.709 36.565 -8.960 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -39.751 37.713 -9.776 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -37.551 38.504 -8.299 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -38.951 39.535 -8.515 1.00 0.00 H new ATOM 855 N LYS A 60 -40.203 35.103 -5.605 1.00 0.00 N ATOM 856 CA LYS A 60 -39.738 33.863 -4.994 1.00 0.00 C ATOM 857 C LYS A 60 -40.792 32.771 -5.127 1.00 0.00 C ATOM 858 O LYS A 60 -41.059 32.028 -4.182 1.00 0.00 O ATOM 859 CB LYS A 60 -39.422 34.096 -3.515 1.00 0.00 C ATOM 860 CG LYS A 60 -38.484 32.998 -3.009 1.00 0.00 C ATOM 861 CD LYS A 60 -38.200 33.214 -1.522 1.00 0.00 C ATOM 862 CE LYS A 60 -37.116 32.238 -1.062 1.00 0.00 C ATOM 863 NZ LYS A 60 -36.758 32.523 0.356 1.00 0.00 N ATOM 0 H LYS A 60 -41.196 35.117 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 60 -38.834 33.542 -5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -38.959 35.074 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -40.343 34.098 -2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -38.936 32.019 -3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -37.552 33.013 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -37.877 34.241 -1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -39.110 33.063 -0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -37.471 31.212 -1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -36.235 32.332 -1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -36.021 31.859 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -36.403 33.497 0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -37.600 32.412 0.956 1.00 0.00 H new ATOM 877 N MET A 61 -41.387 32.682 -6.311 1.00 0.00 N ATOM 878 CA MET A 61 -42.414 31.678 -6.573 1.00 0.00 C ATOM 879 C MET A 61 -41.833 30.519 -7.378 1.00 0.00 C ATOM 880 O MET A 61 -41.441 30.689 -8.533 1.00 0.00 O ATOM 881 CB MET A 61 -43.573 32.308 -7.348 1.00 0.00 C ATOM 882 CG MET A 61 -44.415 33.168 -6.404 1.00 0.00 C ATOM 883 SD MET A 61 -43.400 34.518 -5.752 1.00 0.00 S ATOM 884 CE MET A 61 -43.748 35.717 -7.062 1.00 0.00 C ATOM 0 H MET A 61 -41.178 33.290 -7.103 1.00 0.00 H new ATOM 0 HA MET A 61 -42.779 31.298 -5.619 1.00 0.00 H new ATOM 0 HB2 MET A 61 -43.188 32.918 -8.165 1.00 0.00 H new ATOM 0 HB3 MET A 61 -44.191 31.529 -7.795 1.00 0.00 H new ATOM 0 HG2 MET A 61 -45.278 33.571 -6.934 1.00 0.00 H new ATOM 0 HG3 MET A 61 -44.799 32.559 -5.585 1.00 0.00 H new ATOM 0 HE1 MET A 61 -43.212 36.644 -6.858 1.00 0.00 H new ATOM 0 HE2 MET A 61 -43.423 35.313 -8.021 1.00 0.00 H new ATOM 0 HE3 MET A 61 -44.819 35.917 -7.097 1.00 0.00 H new ATOM 894 N THR A 62 -41.779 29.344 -6.760 1.00 0.00 N ATOM 895 CA THR A 62 -41.242 28.166 -7.430 1.00 0.00 C ATOM 896 C THR A 62 -42.226 27.660 -8.488 1.00 0.00 C ATOM 897 O THR A 62 -43.439 27.780 -8.319 1.00 0.00 O ATOM 898 CB THR A 62 -40.980 27.060 -6.405 1.00 0.00 C ATOM 899 OG1 THR A 62 -42.171 26.802 -5.674 1.00 0.00 O ATOM 900 CG2 THR A 62 -39.876 27.504 -5.443 1.00 0.00 C ATOM 0 H THR A 62 -42.098 29.183 -5.805 1.00 0.00 H new ATOM 0 HA THR A 62 -40.306 28.439 -7.918 1.00 0.00 H new ATOM 0 HB THR A 62 -40.666 26.153 -6.922 1.00 0.00 H new ATOM 0 HG1 THR A 62 -42.372 27.567 -5.095 1.00 0.00 H new ATOM 0 HG21 THR A 62 -39.690 26.716 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 62 -38.963 27.702 -6.004 1.00 0.00 H new ATOM 0 HG23 THR A 62 -40.188 28.411 -4.925 1.00 0.00 H new ATOM 908 N PRO A 63 -41.732 27.099 -9.565 1.00 0.00 N ATOM 909 CA PRO A 63 -42.593 26.569 -10.656 1.00 0.00 C ATOM 910 C PRO A 63 -43.844 25.875 -10.119 1.00 0.00 C ATOM 911 O PRO A 63 -44.913 25.948 -10.723 1.00 0.00 O ATOM 912 CB PRO A 63 -41.678 25.576 -11.373 1.00 0.00 C ATOM 913 CG PRO A 63 -40.291 26.100 -11.171 1.00 0.00 C ATOM 914 CD PRO A 63 -40.301 26.907 -9.864 1.00 0.00 C ATOM 0 HA PRO A 63 -42.972 27.358 -11.306 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -41.784 24.574 -10.958 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -41.923 25.510 -12.433 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -39.574 25.281 -11.113 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -39.990 26.728 -12.010 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -39.795 26.370 -9.061 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -39.788 27.861 -9.982 1.00 0.00 H new ATOM 922 N GLU A 64 -43.698 25.200 -8.983 1.00 0.00 N ATOM 923 CA GLU A 64 -44.819 24.493 -8.375 1.00 0.00 C ATOM 924 C GLU A 64 -45.941 25.463 -8.016 1.00 0.00 C ATOM 925 O GLU A 64 -47.099 25.242 -8.368 1.00 0.00 O ATOM 926 CB GLU A 64 -44.351 23.763 -7.115 1.00 0.00 C ATOM 927 CG GLU A 64 -45.491 22.900 -6.570 1.00 0.00 C ATOM 928 CD GLU A 64 -45.018 22.125 -5.345 1.00 0.00 C ATOM 929 OE1 GLU A 64 -43.880 21.684 -5.352 1.00 0.00 O ATOM 930 OE2 GLU A 64 -45.800 21.983 -4.420 1.00 0.00 O ATOM 0 H GLU A 64 -42.820 25.128 -8.468 1.00 0.00 H new ATOM 0 HA GLU A 64 -45.200 23.770 -9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -43.486 23.140 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -44.034 24.484 -6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -46.341 23.530 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -45.834 22.207 -7.339 1.00 0.00 H new ATOM 937 N GLN A 65 -45.591 26.532 -7.310 1.00 0.00 N ATOM 938 CA GLN A 65 -46.580 27.525 -6.906 1.00 0.00 C ATOM 939 C GLN A 65 -47.262 28.136 -8.128 1.00 0.00 C ATOM 940 O GLN A 65 -48.451 27.920 -8.361 1.00 0.00 O ATOM 941 CB GLN A 65 -45.906 28.628 -6.084 1.00 0.00 C ATOM 942 CG GLN A 65 -45.787 28.184 -4.619 1.00 0.00 C ATOM 943 CD GLN A 65 -44.524 28.768 -3.996 1.00 0.00 C ATOM 944 OE1 GLN A 65 -43.390 28.659 -4.630 1.00 0.00 O flip ATOM 945 NE2 GLN A 65 -44.573 29.337 -2.906 1.00 0.00 N flip ATOM 0 H GLN A 65 -44.638 26.733 -7.007 1.00 0.00 H new ATOM 0 HA GLN A 65 -47.336 27.030 -6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -44.918 28.844 -6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -46.486 29.549 -6.149 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -46.663 28.512 -4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -45.761 27.096 -4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -45.462 29.420 -2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -43.724 29.726 -2.495 1.00 0.00 H new ATOM 954 N MET A 66 -46.500 28.900 -8.903 1.00 0.00 N ATOM 955 CA MET A 66 -47.042 29.539 -10.098 1.00 0.00 C ATOM 956 C MET A 66 -47.861 28.545 -10.918 1.00 0.00 C ATOM 957 O MET A 66 -48.910 28.893 -11.461 1.00 0.00 O ATOM 958 CB MET A 66 -45.903 30.103 -10.954 1.00 0.00 C ATOM 959 CG MET A 66 -44.904 28.991 -11.292 1.00 0.00 C ATOM 960 SD MET A 66 -45.448 28.119 -12.783 1.00 0.00 S ATOM 961 CE MET A 66 -45.128 29.449 -13.970 1.00 0.00 C ATOM 0 H MET A 66 -45.513 29.091 -8.728 1.00 0.00 H new ATOM 0 HA MET A 66 -47.695 30.353 -9.785 1.00 0.00 H new ATOM 0 HB2 MET A 66 -46.305 30.534 -11.871 1.00 0.00 H new ATOM 0 HB3 MET A 66 -45.398 30.907 -10.419 1.00 0.00 H new ATOM 0 HG2 MET A 66 -43.912 29.415 -11.448 1.00 0.00 H new ATOM 0 HG3 MET A 66 -44.825 28.293 -10.458 1.00 0.00 H new ATOM 0 HE1 MET A 66 -44.564 29.054 -14.815 1.00 0.00 H new ATOM 0 HE2 MET A 66 -46.075 29.856 -14.324 1.00 0.00 H new ATOM 0 HE3 MET A 66 -44.552 30.238 -13.486 1.00 0.00 H new ATOM 971 N ALA A 67 -47.378 27.310 -11.003 1.00 0.00 N ATOM 972 CA ALA A 67 -48.081 26.279 -11.761 1.00 0.00 C ATOM 973 C ALA A 67 -49.379 25.893 -11.060 1.00 0.00 C ATOM 974 O ALA A 67 -50.463 26.016 -11.629 1.00 0.00 O ATOM 975 CB ALA A 67 -47.192 25.043 -11.912 1.00 0.00 C ATOM 0 H ALA A 67 -46.512 27.000 -10.562 1.00 0.00 H new ATOM 0 HA ALA A 67 -48.318 26.677 -12.748 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -47.724 24.279 -12.479 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -46.278 25.315 -12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -46.940 24.653 -10.926 1.00 0.00 H new ATOM 981 N LYS A 68 -49.261 25.425 -9.821 1.00 0.00 N ATOM 982 CA LYS A 68 -50.430 25.025 -9.050 1.00 0.00 C ATOM 983 C LYS A 68 -51.465 26.146 -9.033 1.00 0.00 C ATOM 984 O LYS A 68 -52.633 25.933 -9.357 1.00 0.00 O ATOM 985 CB LYS A 68 -50.014 24.682 -7.616 1.00 0.00 C ATOM 986 CG LYS A 68 -51.210 24.116 -6.840 1.00 0.00 C ATOM 987 CD LYS A 68 -51.547 22.707 -7.347 1.00 0.00 C ATOM 988 CE LYS A 68 -52.337 21.955 -6.274 1.00 0.00 C ATOM 989 NZ LYS A 68 -51.427 21.597 -5.149 1.00 0.00 N ATOM 0 H LYS A 68 -48.372 25.314 -9.333 1.00 0.00 H new ATOM 0 HA LYS A 68 -50.873 24.146 -9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -49.202 23.955 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -49.635 25.574 -7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -50.980 24.083 -5.775 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -52.074 24.770 -6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -52.130 22.769 -8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -50.631 22.166 -7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -53.157 22.574 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -52.781 21.054 -6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -51.812 20.777 -4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -50.487 21.360 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -51.346 22.404 -4.498 1.00 0.00 H new ATOM 1003 N GLU A 69 -51.026 27.343 -8.654 1.00 0.00 N ATOM 1004 CA GLU A 69 -51.921 28.492 -8.598 1.00 0.00 C ATOM 1005 C GLU A 69 -52.598 28.707 -9.948 1.00 0.00 C ATOM 1006 O GLU A 69 -53.825 28.729 -10.040 1.00 0.00 O ATOM 1007 CB GLU A 69 -51.137 29.747 -8.210 1.00 0.00 C ATOM 1008 CG GLU A 69 -50.588 29.586 -6.792 1.00 0.00 C ATOM 1009 CD GLU A 69 -49.680 30.761 -6.448 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -49.810 31.792 -7.087 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -48.866 30.613 -5.551 1.00 0.00 O ATOM 0 H GLU A 69 -50.063 27.541 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 69 -52.687 28.298 -7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -50.319 29.910 -8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -51.783 30.624 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -51.410 29.530 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -50.033 28.651 -6.712 1.00 0.00 H new ATOM 1018 N MET A 70 -51.792 28.866 -10.992 1.00 0.00 N ATOM 1019 CA MET A 70 -52.329 29.077 -12.331 1.00 0.00 C ATOM 1020 C MET A 70 -53.387 28.025 -12.651 1.00 0.00 C ATOM 1021 O MET A 70 -54.451 28.343 -13.181 1.00 0.00 O ATOM 1022 CB MET A 70 -51.201 29.006 -13.365 1.00 0.00 C ATOM 1023 CG MET A 70 -50.416 30.320 -13.358 1.00 0.00 C ATOM 1024 SD MET A 70 -51.382 31.605 -14.191 1.00 0.00 S ATOM 1025 CE MET A 70 -50.630 31.435 -15.829 1.00 0.00 C ATOM 0 H MET A 70 -50.773 28.853 -10.938 1.00 0.00 H new ATOM 0 HA MET A 70 -52.790 30.064 -12.369 1.00 0.00 H new ATOM 0 HB2 MET A 70 -50.537 28.172 -13.137 1.00 0.00 H new ATOM 0 HB3 MET A 70 -51.614 28.822 -14.357 1.00 0.00 H new ATOM 0 HG2 MET A 70 -50.199 30.621 -12.333 1.00 0.00 H new ATOM 0 HG3 MET A 70 -49.458 30.187 -13.861 1.00 0.00 H new ATOM 0 HE1 MET A 70 -51.087 32.149 -16.515 1.00 0.00 H new ATOM 0 HE2 MET A 70 -49.560 31.631 -15.760 1.00 0.00 H new ATOM 0 HE3 MET A 70 -50.790 30.422 -16.199 1.00 0.00 H new ATOM 1035 N SER A 71 -53.088 26.773 -12.321 1.00 0.00 N ATOM 1036 CA SER A 71 -54.022 25.683 -12.576 1.00 0.00 C ATOM 1037 C SER A 71 -55.355 25.946 -11.882 1.00 0.00 C ATOM 1038 O SER A 71 -56.417 25.821 -12.491 1.00 0.00 O ATOM 1039 CB SER A 71 -53.434 24.364 -12.073 1.00 0.00 C ATOM 1040 OG SER A 71 -52.147 24.176 -12.647 1.00 0.00 O ATOM 0 H SER A 71 -52.213 26.489 -11.880 1.00 0.00 H new ATOM 0 HA SER A 71 -54.192 25.619 -13.651 1.00 0.00 H new ATOM 0 HB2 SER A 71 -53.362 24.376 -10.985 1.00 0.00 H new ATOM 0 HB3 SER A 71 -54.089 23.535 -12.340 1.00 0.00 H new ATOM 0 HG SER A 71 -51.490 24.719 -12.163 1.00 0.00 H new ATOM 1046 N GLU A 72 -55.291 26.308 -10.605 1.00 0.00 N ATOM 1047 CA GLU A 72 -56.501 26.586 -9.838 1.00 0.00 C ATOM 1048 C GLU A 72 -57.109 27.921 -10.259 1.00 0.00 C ATOM 1049 O GLU A 72 -58.315 28.131 -10.136 1.00 0.00 O ATOM 1050 CB GLU A 72 -56.176 26.615 -8.342 1.00 0.00 C ATOM 1051 CG GLU A 72 -56.039 25.185 -7.819 1.00 0.00 C ATOM 1052 CD GLU A 72 -55.073 24.398 -8.698 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -55.491 23.959 -9.757 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -53.931 24.247 -8.300 1.00 0.00 O ATOM 0 H GLU A 72 -54.422 26.415 -10.082 1.00 0.00 H new ATOM 0 HA GLU A 72 -57.224 25.795 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -55.251 27.166 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -56.963 27.138 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -55.679 25.198 -6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -57.014 24.698 -7.809 1.00 0.00 H new ATOM 1061 N PHE A 73 -56.266 28.819 -10.759 1.00 0.00 N ATOM 1062 CA PHE A 73 -56.734 30.129 -11.197 1.00 0.00 C ATOM 1063 C PHE A 73 -57.539 30.004 -12.485 1.00 0.00 C ATOM 1064 O PHE A 73 -58.700 30.411 -12.547 1.00 0.00 O ATOM 1065 CB PHE A 73 -55.541 31.057 -11.430 1.00 0.00 C ATOM 1066 CG PHE A 73 -56.033 32.470 -11.640 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -56.487 32.872 -12.902 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -56.033 33.377 -10.574 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -56.942 34.181 -13.097 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -56.488 34.687 -10.769 1.00 0.00 C ATOM 1071 CZ PHE A 73 -56.943 35.089 -12.031 1.00 0.00 C ATOM 0 H PHE A 73 -55.264 28.666 -10.870 1.00 0.00 H new ATOM 0 HA PHE A 73 -57.373 30.546 -10.419 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -54.866 31.019 -10.575 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -54.974 30.725 -12.300 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -56.486 32.172 -13.725 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -55.682 33.067 -9.601 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -57.293 34.491 -14.070 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -56.488 35.387 -9.947 1.00 0.00 H new ATOM 0 HZ PHE A 73 -57.295 36.099 -12.182 1.00 0.00 H new ATOM 1081 N LEU A 74 -56.913 29.439 -13.512 1.00 0.00 N ATOM 1082 CA LEU A 74 -57.575 29.263 -14.799 1.00 0.00 C ATOM 1083 C LEU A 74 -58.902 28.529 -14.624 1.00 0.00 C ATOM 1084 O LEU A 74 -59.683 28.408 -15.568 1.00 0.00 O ATOM 1085 CB LEU A 74 -56.670 28.469 -15.744 1.00 0.00 C ATOM 1086 CG LEU A 74 -55.353 29.227 -15.956 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -54.283 28.260 -16.465 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -55.554 30.345 -16.985 1.00 0.00 C ATOM 0 H LEU A 74 -55.953 29.097 -13.479 1.00 0.00 H new ATOM 0 HA LEU A 74 -57.772 30.247 -15.224 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -56.470 27.482 -15.328 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -57.171 28.316 -16.700 1.00 0.00 H new ATOM 0 HG LEU A 74 -55.036 29.661 -15.008 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -53.348 28.799 -16.616 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -54.131 27.467 -15.733 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -54.607 27.824 -17.410 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -54.615 30.879 -17.130 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -55.877 29.914 -17.933 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -56.314 31.039 -16.625 1.00 0.00 H new ATOM 1100 N SER A 75 -59.149 28.042 -13.411 1.00 0.00 N ATOM 1101 CA SER A 75 -60.385 27.319 -13.120 1.00 0.00 C ATOM 1102 C SER A 75 -61.016 27.836 -11.830 1.00 0.00 C ATOM 1103 O SER A 75 -60.561 27.514 -10.733 1.00 0.00 O ATOM 1104 CB SER A 75 -60.094 25.825 -12.983 1.00 0.00 C ATOM 1105 OG SER A 75 -61.323 25.112 -12.916 1.00 0.00 O ATOM 0 H SER A 75 -58.514 28.134 -12.618 1.00 0.00 H new ATOM 0 HA SER A 75 -61.082 27.480 -13.943 1.00 0.00 H new ATOM 0 HB2 SER A 75 -59.505 25.478 -13.832 1.00 0.00 H new ATOM 0 HB3 SER A 75 -59.503 25.638 -12.087 1.00 0.00 H new ATOM 0 HG SER A 75 -61.141 24.153 -12.830 1.00 0.00 H new ATOM 1111 N ARG A 76 -62.066 28.638 -11.972 1.00 0.00 N ATOM 1112 CA ARG A 76 -62.753 29.194 -10.812 1.00 0.00 C ATOM 1113 C ARG A 76 -63.168 28.082 -9.852 1.00 0.00 C ATOM 1114 O ARG A 76 -63.615 28.348 -8.735 1.00 0.00 O ATOM 1115 CB ARG A 76 -63.993 29.971 -11.260 1.00 0.00 C ATOM 1116 CG ARG A 76 -63.564 31.170 -12.109 1.00 0.00 C ATOM 1117 CD ARG A 76 -64.789 32.022 -12.444 1.00 0.00 C ATOM 1118 NE ARG A 76 -65.607 31.356 -13.451 1.00 0.00 N ATOM 1119 CZ ARG A 76 -66.545 32.016 -14.121 1.00 0.00 C ATOM 1120 NH1 ARG A 76 -66.748 33.283 -13.882 1.00 0.00 N ATOM 1121 NH2 ARG A 76 -67.264 31.398 -15.017 1.00 0.00 N ATOM 0 H ARG A 76 -62.458 28.916 -12.872 1.00 0.00 H new ATOM 0 HA ARG A 76 -62.068 29.868 -10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -64.654 29.322 -11.835 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -64.557 30.310 -10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -62.829 31.767 -11.569 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -63.085 30.827 -13.026 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -65.378 32.195 -11.543 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -64.472 32.999 -12.810 1.00 0.00 H new ATOM 0 HE ARG A 76 -65.456 30.366 -13.644 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -66.186 33.766 -13.181 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -67.468 33.790 -14.396 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -67.106 30.408 -15.203 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -67.984 31.905 -15.531 1.00 0.00 H new ATOM 1135 N GLY A 77 -63.018 26.839 -10.294 1.00 0.00 N ATOM 1136 CA GLY A 77 -63.381 25.694 -9.468 1.00 0.00 C ATOM 1137 C GLY A 77 -64.885 25.446 -9.509 1.00 0.00 C ATOM 1138 O GLY A 77 -65.558 25.469 -8.479 1.00 0.00 O ATOM 0 H GLY A 77 -62.650 26.599 -11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -62.853 24.807 -9.817 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -63.065 25.868 -8.439 1.00 0.00 H new ATOM 1142 N PRO A 78 -65.418 25.212 -10.679 1.00 0.00 N ATOM 1143 CA PRO A 78 -66.875 24.953 -10.865 1.00 0.00 C ATOM 1144 C PRO A 78 -67.278 23.564 -10.372 1.00 0.00 C ATOM 1145 O PRO A 78 -66.960 22.554 -11.001 1.00 0.00 O ATOM 1146 CB PRO A 78 -67.071 25.078 -12.379 1.00 0.00 C ATOM 1147 CG PRO A 78 -65.744 24.736 -12.974 1.00 0.00 C ATOM 1148 CD PRO A 78 -64.685 25.168 -11.955 1.00 0.00 C ATOM 0 HA PRO A 78 -67.494 25.644 -10.293 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -67.848 24.400 -12.733 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -67.378 26.087 -12.655 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -65.674 23.667 -13.177 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -65.601 25.251 -13.924 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -63.857 24.461 -11.916 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -64.262 26.141 -12.206 1.00 0.00 H new ATOM 1156 N ALA A 79 -67.979 23.522 -9.244 1.00 0.00 N ATOM 1157 CA ALA A 79 -68.419 22.254 -8.675 1.00 0.00 C ATOM 1158 C ALA A 79 -69.317 22.492 -7.465 1.00 0.00 C ATOM 1159 O ALA A 79 -68.784 22.674 -6.384 1.00 0.00 O ATOM 1160 CB ALA A 79 -67.207 21.420 -8.259 1.00 0.00 C ATOM 1161 OXT ALA A 79 -70.524 22.488 -7.638 1.00 0.00 O ATOM 0 H ALA A 79 -68.253 24.346 -8.709 1.00 0.00 H new ATOM 0 HA ALA A 79 -68.987 21.715 -9.433 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -67.544 20.474 -7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -66.583 21.225 -9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -66.628 21.966 -7.514 1.00 0.00 H new TER 1167 ALA A 79