USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 357 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 49 HIS : no HE2:sc= 0.893 K(o=2.1,f=-5.3!) USER MOD Set 1.2: A 58 SER OG : rot 155:sc= 1.17 USER MOD Set 2.1: A 41 GLN : amide:sc= 4.02 K(o=5.5,f=-8!) USER MOD Set 2.2: A 55 TYR OH : rot -5:sc= 1.51 USER MOD Set 3.1: A 31 SER OG : rot 118:sc= 1.29 USER MOD Set 3.2: A 33 SER OG : rot 180:sc= 1.75 USER MOD Set 3.3: A 35 SER OG : rot 125:sc= 0.53 USER MOD Single : A 34 LYS NZ :NH3+ 140:sc= 1.06 (180deg=0.172) USER MOD Single : A 43 GLN : amide:sc= 1.29 K(o=1.3,f=-4!) USER MOD Single : A 45 GLN : amide:sc= -2.17! C(o=-2.2!,f=-5.3!) USER MOD Single : A 46 HIS : no HD1:sc= 0.113 K(o=0.11,f=-9.4!) USER MOD Single : A 50 ASN : amide:sc= 1.49 K(o=1.5,f=-0.47) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.683 K(o=0.68,f=-0.1) USER MOD Single : A 70 HIS : no HD1:sc= -0.841 K(o=-0.84,f=-4.7!) USER MOD Single : A 71 SER OG : rot 72:sc= 1.21 USER MOD Single : A 73 GLN : amide:sc= 1.2 K(o=1.2,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 23 -11.923 7.843 -0.359 1.00 0.00 N ATOM 2 CA ALA A 23 -12.328 8.294 0.986 1.00 0.00 C ATOM 3 C ALA A 23 -13.497 9.273 0.854 1.00 0.00 C ATOM 4 O ALA A 23 -14.575 8.840 0.463 1.00 0.00 O ATOM 5 CB ALA A 23 -11.138 8.854 1.773 1.00 0.00 C ATOM 0 HA ALA A 23 -12.677 7.445 1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.473 9.177 2.759 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.378 8.080 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.715 9.704 1.237 1.00 0.00 H new ATOM 13 N VAL A 24 -13.308 10.567 1.150 1.00 0.00 N ATOM 14 CA VAL A 24 -14.323 11.572 0.834 1.00 0.00 C ATOM 15 C VAL A 24 -14.228 11.741 -0.686 1.00 0.00 C ATOM 16 O VAL A 24 -15.228 11.749 -1.398 1.00 0.00 O ATOM 17 CB VAL A 24 -14.086 12.888 1.597 1.00 0.00 C ATOM 18 CG1 VAL A 24 -15.249 13.858 1.354 1.00 0.00 C ATOM 19 CG2 VAL A 24 -13.952 12.638 3.105 1.00 0.00 C ATOM 0 H VAL A 24 -12.471 10.935 1.602 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.323 11.266 1.142 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.157 13.322 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -15.070 14.785 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.327 14.073 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -16.178 13.407 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.785 13.585 3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -14.866 12.178 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.109 11.972 3.290 1.00 0.00 H new ATOM 29 N ASP A 25 -12.983 11.839 -1.169 1.00 0.00 N ATOM 30 CA ASP A 25 -12.652 11.749 -2.580 1.00 0.00 C ATOM 31 C ASP A 25 -12.896 10.299 -3.014 1.00 0.00 C ATOM 32 O ASP A 25 -13.172 9.438 -2.173 1.00 0.00 O ATOM 33 CB ASP A 25 -11.167 12.104 -2.777 1.00 0.00 C ATOM 34 CG ASP A 25 -10.213 10.990 -2.323 1.00 0.00 C ATOM 35 OD1 ASP A 25 -10.501 10.360 -1.281 1.00 0.00 O ATOM 36 OD2 ASP A 25 -9.213 10.779 -3.040 1.00 0.00 O ATOM 0 H ASP A 25 -12.169 11.986 -0.572 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.259 12.436 -3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.988 12.319 -3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.941 13.015 -2.223 1.00 0.00 H new ATOM 41 N LEU A 26 -12.720 9.998 -4.302 1.00 0.00 N ATOM 42 CA LEU A 26 -12.843 8.635 -4.795 1.00 0.00 C ATOM 43 C LEU A 26 -11.970 7.694 -3.962 1.00 0.00 C ATOM 44 O LEU A 26 -10.967 8.102 -3.375 1.00 0.00 O ATOM 45 CB LEU A 26 -12.523 8.543 -6.298 1.00 0.00 C ATOM 46 CG LEU A 26 -11.028 8.523 -6.674 1.00 0.00 C ATOM 47 CD1 LEU A 26 -10.891 8.293 -8.183 1.00 0.00 C ATOM 48 CD2 LEU A 26 -10.305 9.822 -6.302 1.00 0.00 C ATOM 0 H LEU A 26 -12.491 10.685 -5.020 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.880 8.320 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.988 7.640 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.992 9.389 -6.801 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.564 7.715 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.835 8.278 -8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.348 7.340 -8.449 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.392 9.098 -8.721 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.256 9.750 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.768 10.659 -6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.375 9.982 -5.226 1.00 0.00 H new ATOM 60 N ASP A 27 -12.371 6.432 -3.871 1.00 0.00 N ATOM 61 CA ASP A 27 -11.619 5.435 -3.124 1.00 0.00 C ATOM 62 C ASP A 27 -10.353 5.098 -3.902 1.00 0.00 C ATOM 63 O ASP A 27 -10.314 4.125 -4.650 1.00 0.00 O ATOM 64 CB ASP A 27 -12.498 4.223 -2.794 1.00 0.00 C ATOM 65 CG ASP A 27 -13.561 4.548 -1.741 1.00 0.00 C ATOM 66 OD1 ASP A 27 -13.414 5.594 -1.062 1.00 0.00 O ATOM 67 OD2 ASP A 27 -14.512 3.745 -1.638 1.00 0.00 O ATOM 0 H ASP A 27 -13.220 6.074 -4.309 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.308 5.826 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.986 3.872 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.870 3.408 -2.434 1.00 0.00 H new ATOM 72 N GLU A 28 -9.326 5.928 -3.683 1.00 0.00 N ATOM 73 CA GLU A 28 -8.002 5.898 -4.296 1.00 0.00 C ATOM 74 C GLU A 28 -7.463 4.480 -4.475 1.00 0.00 C ATOM 75 O GLU A 28 -6.757 4.200 -5.435 1.00 0.00 O ATOM 76 CB GLU A 28 -6.988 6.726 -3.482 1.00 0.00 C ATOM 77 CG GLU A 28 -7.560 7.912 -2.694 1.00 0.00 C ATOM 78 CD GLU A 28 -8.070 7.511 -1.314 1.00 0.00 C ATOM 79 OE1 GLU A 28 -7.217 7.363 -0.414 1.00 0.00 O ATOM 80 OE2 GLU A 28 -9.301 7.323 -1.180 1.00 0.00 O ATOM 0 H GLU A 28 -9.411 6.697 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.125 6.339 -5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.485 6.059 -2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.227 7.103 -4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.790 8.675 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.375 8.361 -3.262 1.00 0.00 H new ATOM 87 N CYS A 29 -7.760 3.599 -3.518 1.00 0.00 N ATOM 88 CA CYS A 29 -7.337 2.208 -3.533 1.00 0.00 C ATOM 89 C CYS A 29 -7.748 1.480 -4.814 1.00 0.00 C ATOM 90 O CYS A 29 -6.999 0.654 -5.329 1.00 0.00 O ATOM 91 CB CYS A 29 -7.939 1.493 -2.328 1.00 0.00 C ATOM 92 SG CYS A 29 -7.280 -0.179 -2.163 1.00 0.00 S ATOM 0 H CYS A 29 -8.313 3.843 -2.696 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.248 2.194 -3.491 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.727 2.061 -1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.023 1.451 -2.432 1.00 0.00 H new ATOM 97 N ALA A 30 -8.946 1.770 -5.327 1.00 0.00 N ATOM 98 CA ALA A 30 -9.457 1.142 -6.535 1.00 0.00 C ATOM 99 C ALA A 30 -8.657 1.592 -7.757 1.00 0.00 C ATOM 100 O ALA A 30 -8.220 0.769 -8.558 1.00 0.00 O ATOM 101 CB ALA A 30 -10.943 1.476 -6.696 1.00 0.00 C ATOM 0 H ALA A 30 -9.585 2.448 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.348 0.061 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.326 1.005 -7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.495 1.104 -5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.067 2.556 -6.769 1.00 0.00 H new ATOM 107 N SER A 31 -8.472 2.904 -7.908 1.00 0.00 N ATOM 108 CA SER A 31 -7.763 3.496 -9.029 1.00 0.00 C ATOM 109 C SER A 31 -6.243 3.369 -8.894 1.00 0.00 C ATOM 110 O SER A 31 -5.531 3.484 -9.889 1.00 0.00 O ATOM 111 CB SER A 31 -8.184 4.966 -9.116 1.00 0.00 C ATOM 112 OG SER A 31 -8.250 5.521 -7.813 1.00 0.00 O ATOM 0 H SER A 31 -8.819 3.592 -7.240 1.00 0.00 H new ATOM 0 HA SER A 31 -8.024 2.962 -9.943 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.471 5.523 -9.724 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.154 5.048 -9.607 1.00 0.00 H new ATOM 0 HG SER A 31 -7.603 6.253 -7.736 1.00 0.00 H new ATOM 118 N ARG A 32 -5.742 3.163 -7.672 1.00 0.00 N ATOM 119 CA ARG A 32 -4.322 3.132 -7.346 1.00 0.00 C ATOM 120 C ARG A 32 -3.697 4.475 -7.759 1.00 0.00 C ATOM 121 O ARG A 32 -2.567 4.540 -8.240 1.00 0.00 O ATOM 122 CB ARG A 32 -3.655 1.881 -7.964 1.00 0.00 C ATOM 123 CG ARG A 32 -3.023 0.947 -6.918 1.00 0.00 C ATOM 124 CD ARG A 32 -4.066 0.287 -6.010 1.00 0.00 C ATOM 125 NE ARG A 32 -3.487 -0.814 -5.225 1.00 0.00 N ATOM 126 CZ ARG A 32 -4.211 -1.782 -4.644 1.00 0.00 C ATOM 127 NH1 ARG A 32 -5.543 -1.687 -4.576 1.00 0.00 N ATOM 128 NH2 ARG A 32 -3.591 -2.853 -4.142 1.00 0.00 N ATOM 0 H ARG A 32 -6.338 3.009 -6.859 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.158 3.029 -6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.400 1.325 -8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.886 2.199 -8.668 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.449 0.173 -7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.321 1.514 -6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.485 1.033 -5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.888 -0.092 -6.617 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.473 -0.843 -5.116 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.017 -0.873 -4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.085 -2.428 -4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.576 -2.929 -4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.133 -3.595 -3.698 1.00 0.00 H new ATOM 142 N SER A 33 -4.441 5.567 -7.552 1.00 0.00 N ATOM 143 CA SER A 33 -4.039 6.912 -7.928 1.00 0.00 C ATOM 144 C SER A 33 -3.577 7.705 -6.707 1.00 0.00 C ATOM 145 O SER A 33 -4.027 7.452 -5.591 1.00 0.00 O ATOM 146 CB SER A 33 -5.235 7.601 -8.599 1.00 0.00 C ATOM 147 OG SER A 33 -6.377 7.567 -7.758 1.00 0.00 O ATOM 0 H SER A 33 -5.359 5.531 -7.108 1.00 0.00 H new ATOM 0 HA SER A 33 -3.199 6.864 -8.621 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.980 8.635 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.460 7.108 -9.545 1.00 0.00 H new ATOM 0 HG SER A 33 -7.126 8.013 -8.205 1.00 0.00 H new ATOM 153 N LYS A 34 -2.673 8.666 -6.916 1.00 0.00 N ATOM 154 CA LYS A 34 -2.279 9.605 -5.877 1.00 0.00 C ATOM 155 C LYS A 34 -3.485 10.528 -5.717 1.00 0.00 C ATOM 156 O LYS A 34 -3.744 11.343 -6.604 1.00 0.00 O ATOM 157 CB LYS A 34 -1.048 10.402 -6.338 1.00 0.00 C ATOM 158 CG LYS A 34 0.234 9.562 -6.364 1.00 0.00 C ATOM 159 CD LYS A 34 0.868 9.473 -4.970 1.00 0.00 C ATOM 160 CE LYS A 34 2.152 8.642 -5.026 1.00 0.00 C ATOM 161 NZ LYS A 34 2.837 8.632 -3.721 1.00 0.00 N ATOM 0 H LYS A 34 -2.199 8.810 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.012 9.114 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.234 10.802 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.904 11.254 -5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.008 8.560 -6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.946 10.002 -7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.090 10.474 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.164 9.022 -4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.915 7.620 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.819 9.048 -5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.214 7.681 -3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.619 9.318 -3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.162 8.890 -2.973 1.00 0.00 H new ATOM 175 N SER A 35 -4.282 10.363 -4.659 1.00 0.00 N ATOM 176 CA SER A 35 -5.501 11.151 -4.503 1.00 0.00 C ATOM 177 C SER A 35 -5.922 11.414 -3.056 1.00 0.00 C ATOM 178 O SER A 35 -6.794 12.251 -2.836 1.00 0.00 O ATOM 179 CB SER A 35 -6.643 10.492 -5.296 1.00 0.00 C ATOM 180 OG SER A 35 -6.218 10.113 -6.597 1.00 0.00 O ATOM 0 H SER A 35 -4.106 9.698 -3.906 1.00 0.00 H new ATOM 0 HA SER A 35 -5.275 12.139 -4.905 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.002 9.614 -4.759 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.482 11.184 -5.373 1.00 0.00 H new ATOM 0 HG SER A 35 -6.394 9.159 -6.734 1.00 0.00 H new ATOM 186 N GLY A 36 -5.327 10.734 -2.073 1.00 0.00 N ATOM 187 CA GLY A 36 -5.702 10.901 -0.676 1.00 0.00 C ATOM 188 C GLY A 36 -5.579 12.366 -0.253 1.00 0.00 C ATOM 189 O GLY A 36 -4.489 12.938 -0.290 1.00 0.00 O ATOM 0 H GLY A 36 -4.578 10.059 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.726 10.559 -0.526 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.064 10.281 -0.047 1.00 0.00 H new ATOM 193 N GLU A 37 -6.715 12.949 0.146 1.00 0.00 N ATOM 194 CA GLU A 37 -6.911 14.335 0.545 1.00 0.00 C ATOM 195 C GLU A 37 -5.711 14.897 1.310 1.00 0.00 C ATOM 196 O GLU A 37 -5.216 15.973 0.984 1.00 0.00 O ATOM 197 CB GLU A 37 -8.207 14.461 1.366 1.00 0.00 C ATOM 198 CG GLU A 37 -9.463 13.944 0.638 1.00 0.00 C ATOM 199 CD GLU A 37 -9.821 12.487 0.942 1.00 0.00 C ATOM 200 OE1 GLU A 37 -8.891 11.694 1.201 1.00 0.00 O ATOM 201 OE2 GLU A 37 -11.032 12.177 0.897 1.00 0.00 O ATOM 0 H GLU A 37 -7.584 12.418 0.200 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.003 14.935 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.088 13.911 2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.358 15.508 1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.309 14.576 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.314 14.051 -0.436 1.00 0.00 H new ATOM 208 N GLU A 38 -5.262 14.172 2.338 1.00 0.00 N ATOM 209 CA GLU A 38 -4.078 14.513 3.114 1.00 0.00 C ATOM 210 C GLU A 38 -3.228 13.252 3.241 1.00 0.00 C ATOM 211 O GLU A 38 -2.811 12.879 4.335 1.00 0.00 O ATOM 212 CB GLU A 38 -4.449 15.095 4.490 1.00 0.00 C ATOM 213 CG GLU A 38 -5.243 16.411 4.422 1.00 0.00 C ATOM 214 CD GLU A 38 -6.724 16.232 4.093 1.00 0.00 C ATOM 215 OE1 GLU A 38 -7.323 15.267 4.616 1.00 0.00 O ATOM 216 OE2 GLU A 38 -7.242 17.079 3.334 1.00 0.00 O ATOM 0 H GLU A 38 -5.722 13.319 2.656 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.510 15.293 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.035 14.358 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.535 15.264 5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.154 16.926 5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.791 17.057 3.670 1.00 0.00 H new ATOM 223 N ASP A 39 -2.987 12.589 2.108 1.00 0.00 N ATOM 224 CA ASP A 39 -2.255 11.333 2.052 1.00 0.00 C ATOM 225 C ASP A 39 -1.869 11.036 0.601 1.00 0.00 C ATOM 226 O ASP A 39 -2.656 10.415 -0.107 1.00 0.00 O ATOM 227 CB ASP A 39 -3.157 10.220 2.617 1.00 0.00 C ATOM 228 CG ASP A 39 -2.603 8.808 2.468 1.00 0.00 C ATOM 229 OD1 ASP A 39 -1.364 8.675 2.374 1.00 0.00 O ATOM 230 OD2 ASP A 39 -3.450 7.886 2.447 1.00 0.00 O ATOM 0 H ASP A 39 -3.301 12.918 1.195 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.342 11.391 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.332 10.416 3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.125 10.269 2.119 1.00 0.00 H new ATOM 235 N PRO A 40 -0.682 11.443 0.123 1.00 0.00 N ATOM 236 CA PRO A 40 -0.226 11.113 -1.221 1.00 0.00 C ATOM 237 C PRO A 40 0.231 9.647 -1.208 1.00 0.00 C ATOM 238 O PRO A 40 1.410 9.337 -1.368 1.00 0.00 O ATOM 239 CB PRO A 40 0.906 12.105 -1.500 1.00 0.00 C ATOM 240 CG PRO A 40 1.509 12.341 -0.114 1.00 0.00 C ATOM 241 CD PRO A 40 0.298 12.263 0.819 1.00 0.00 C ATOM 0 HA PRO A 40 -0.982 11.197 -2.002 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.639 11.695 -2.194 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.533 13.030 -1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.256 11.586 0.133 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.003 13.311 -0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.570 11.820 1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.100 13.256 1.028 1.00 0.00 H new ATOM 249 N GLN A 41 -0.719 8.737 -0.994 1.00 0.00 N ATOM 250 CA GLN A 41 -0.451 7.324 -0.812 1.00 0.00 C ATOM 251 C GLN A 41 0.170 6.667 -2.050 1.00 0.00 C ATOM 252 O GLN A 41 -0.390 6.780 -3.139 1.00 0.00 O ATOM 253 CB GLN A 41 -1.714 6.556 -0.378 1.00 0.00 C ATOM 254 CG GLN A 41 -3.092 7.136 -0.749 1.00 0.00 C ATOM 255 CD GLN A 41 -3.303 7.451 -2.227 1.00 0.00 C ATOM 256 OE1 GLN A 41 -3.504 8.610 -2.587 1.00 0.00 O ATOM 257 NE2 GLN A 41 -3.308 6.446 -3.094 1.00 0.00 N ATOM 0 H GLN A 41 -1.710 8.972 -0.943 1.00 0.00 H new ATOM 0 HA GLN A 41 0.286 7.265 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.653 5.553 -0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.681 6.449 0.706 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.860 6.429 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.247 8.050 -0.176 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.139 5.493 -2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.481 6.626 -4.083 1.00 0.00 H new ATOM 266 N PRO A 42 1.304 5.959 -1.915 1.00 0.00 N ATOM 267 CA PRO A 42 1.827 5.179 -3.017 1.00 0.00 C ATOM 268 C PRO A 42 0.892 3.989 -3.270 1.00 0.00 C ATOM 269 O PRO A 42 0.068 3.633 -2.419 1.00 0.00 O ATOM 270 CB PRO A 42 3.254 4.775 -2.632 1.00 0.00 C ATOM 271 CG PRO A 42 3.378 5.041 -1.128 1.00 0.00 C ATOM 272 CD PRO A 42 2.177 5.914 -0.753 1.00 0.00 C ATOM 0 HA PRO A 42 1.870 5.733 -3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.437 3.725 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.988 5.354 -3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.373 4.108 -0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.315 5.547 -0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.652 5.499 0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.501 6.917 -0.475 1.00 0.00 H new ATOM 280 N GLN A 43 1.019 3.392 -4.455 1.00 0.00 N ATOM 281 CA GLN A 43 0.212 2.279 -4.933 1.00 0.00 C ATOM 282 C GLN A 43 0.343 1.085 -3.986 1.00 0.00 C ATOM 283 O GLN A 43 1.399 0.459 -3.929 1.00 0.00 O ATOM 284 CB GLN A 43 0.670 1.894 -6.350 1.00 0.00 C ATOM 285 CG GLN A 43 0.227 2.892 -7.430 1.00 0.00 C ATOM 286 CD GLN A 43 0.820 4.293 -7.287 1.00 0.00 C ATOM 287 OE1 GLN A 43 1.943 4.465 -6.819 1.00 0.00 O ATOM 288 NE2 GLN A 43 0.064 5.315 -7.672 1.00 0.00 N ATOM 0 H GLN A 43 1.720 3.687 -5.135 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.836 2.577 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.757 1.816 -6.363 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.276 0.907 -6.595 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.501 2.494 -8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.860 2.969 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.865 5.145 -8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.412 6.269 -7.582 1.00 0.00 H new ATOM 297 N CYS A 44 -0.718 0.769 -3.237 1.00 0.00 N ATOM 298 CA CYS A 44 -0.660 -0.316 -2.267 1.00 0.00 C ATOM 299 C CYS A 44 -0.574 -1.695 -2.911 1.00 0.00 C ATOM 300 O CYS A 44 -0.985 -1.913 -4.049 1.00 0.00 O ATOM 301 CB CYS A 44 -1.804 -0.243 -1.248 1.00 0.00 C ATOM 302 SG CYS A 44 -1.289 0.601 0.260 1.00 0.00 S ATOM 0 H CYS A 44 -1.617 1.247 -3.286 1.00 0.00 H new ATOM 0 HA CYS A 44 0.274 -0.172 -1.724 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.653 0.281 -1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.142 -1.250 -1.006 1.00 0.00 H new ATOM 307 N GLN A 45 -0.030 -2.611 -2.113 1.00 0.00 N ATOM 308 CA GLN A 45 0.207 -4.015 -2.382 1.00 0.00 C ATOM 309 C GLN A 45 -1.076 -4.805 -2.687 1.00 0.00 C ATOM 310 O GLN A 45 -1.525 -4.841 -3.828 1.00 0.00 O ATOM 311 CB GLN A 45 1.082 -4.610 -1.255 1.00 0.00 C ATOM 312 CG GLN A 45 0.659 -4.625 0.225 1.00 0.00 C ATOM 313 CD GLN A 45 -0.294 -3.516 0.615 1.00 0.00 C ATOM 314 OE1 GLN A 45 0.060 -2.345 0.587 1.00 0.00 O ATOM 315 NE2 GLN A 45 -1.542 -3.877 0.861 1.00 0.00 N ATOM 0 H GLN A 45 0.283 -2.358 -1.176 1.00 0.00 H new ATOM 0 HA GLN A 45 0.768 -4.106 -3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.275 -5.647 -1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.037 -4.086 -1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.191 -5.584 0.447 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.552 -4.555 0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.794 -4.865 0.875 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.253 -3.167 1.037 1.00 0.00 H new ATOM 324 N HIS A 46 -1.646 -5.467 -1.679 1.00 0.00 N ATOM 325 CA HIS A 46 -2.823 -6.310 -1.791 1.00 0.00 C ATOM 326 C HIS A 46 -4.071 -5.436 -1.720 1.00 0.00 C ATOM 327 O HIS A 46 -4.632 -5.089 -2.758 1.00 0.00 O ATOM 328 CB HIS A 46 -2.832 -7.353 -0.667 1.00 0.00 C ATOM 329 CG HIS A 46 -1.729 -8.377 -0.649 1.00 0.00 C ATOM 330 ND1 HIS A 46 -1.879 -9.532 0.114 1.00 0.00 N ATOM 331 CD2 HIS A 46 -0.459 -8.351 -1.168 1.00 0.00 C ATOM 332 CE1 HIS A 46 -0.690 -10.132 0.054 1.00 0.00 C ATOM 333 NE2 HIS A 46 0.204 -9.463 -0.686 1.00 0.00 N ATOM 0 H HIS A 46 -1.281 -5.425 -0.727 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.808 -6.837 -2.745 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -2.810 -6.820 0.284 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.782 -7.885 -0.712 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.053 -7.601 -1.830 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.470 -11.064 0.552 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.175 -9.722 -0.858 1.00 0.00 H new ATOM 341 N LEU A 47 -4.509 -5.078 -0.505 1.00 0.00 N ATOM 342 CA LEU A 47 -5.691 -4.243 -0.324 1.00 0.00 C ATOM 343 C LEU A 47 -5.407 -3.067 0.608 1.00 0.00 C ATOM 344 O LEU A 47 -4.331 -2.982 1.209 1.00 0.00 O ATOM 345 CB LEU A 47 -6.923 -5.089 0.057 1.00 0.00 C ATOM 346 CG LEU A 47 -6.901 -5.944 1.338 1.00 0.00 C ATOM 347 CD1 LEU A 47 -5.967 -7.157 1.263 1.00 0.00 C ATOM 348 CD2 LEU A 47 -6.617 -5.135 2.603 1.00 0.00 C ATOM 0 H LEU A 47 -4.057 -5.358 0.365 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.948 -3.786 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.772 -4.410 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.127 -5.760 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.919 -6.326 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.008 -7.707 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.281 -7.808 0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.946 -6.820 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.616 -5.799 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.644 -4.652 2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.388 -4.376 2.730 1.00 0.00 H new ATOM 360 N CYS A 48 -6.379 -2.153 0.690 1.00 0.00 N ATOM 361 CA CYS A 48 -6.311 -0.928 1.471 1.00 0.00 C ATOM 362 C CYS A 48 -7.555 -0.840 2.350 1.00 0.00 C ATOM 363 O CYS A 48 -8.493 -1.617 2.183 1.00 0.00 O ATOM 364 CB CYS A 48 -6.273 0.321 0.577 1.00 0.00 C ATOM 365 SG CYS A 48 -5.549 0.176 -1.071 1.00 0.00 S ATOM 0 H CYS A 48 -7.264 -2.256 0.194 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.397 -0.959 2.064 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -7.297 0.677 0.460 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.726 1.096 1.113 1.00 0.00 H new ATOM 370 N HIS A 49 -7.566 0.146 3.242 1.00 0.00 N ATOM 371 CA HIS A 49 -8.677 0.514 4.096 1.00 0.00 C ATOM 372 C HIS A 49 -8.756 2.031 4.008 1.00 0.00 C ATOM 373 O HIS A 49 -7.781 2.707 4.336 1.00 0.00 O ATOM 374 CB HIS A 49 -8.408 0.138 5.548 1.00 0.00 C ATOM 375 CG HIS A 49 -8.144 -1.314 5.820 1.00 0.00 C ATOM 376 ND1 HIS A 49 -9.167 -2.200 6.153 1.00 0.00 N ATOM 377 CD2 HIS A 49 -6.943 -1.962 5.925 1.00 0.00 C ATOM 378 CE1 HIS A 49 -8.541 -3.337 6.473 1.00 0.00 C ATOM 379 NE2 HIS A 49 -7.206 -3.227 6.395 1.00 0.00 N ATOM 0 H HIS A 49 -6.750 0.740 3.392 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.589 0.006 3.783 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.550 0.713 5.897 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -9.265 0.448 6.146 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -10.171 -2.021 6.153 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.972 -1.556 5.684 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.053 -4.243 6.762 1.00 0.00 H new ATOM 387 N ASN A 50 -9.875 2.575 3.536 1.00 0.00 N ATOM 388 CA ASN A 50 -10.022 4.021 3.428 1.00 0.00 C ATOM 389 C ASN A 50 -10.269 4.613 4.813 1.00 0.00 C ATOM 390 O ASN A 50 -10.921 3.985 5.645 1.00 0.00 O ATOM 391 CB ASN A 50 -11.149 4.409 2.458 1.00 0.00 C ATOM 392 CG ASN A 50 -10.681 4.560 1.018 1.00 0.00 C ATOM 393 OD1 ASN A 50 -11.120 3.865 0.111 1.00 0.00 O ATOM 394 ND2 ASN A 50 -9.802 5.524 0.804 1.00 0.00 N ATOM 0 H ASN A 50 -10.686 2.040 3.225 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.098 4.430 3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.932 3.652 2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.595 5.347 2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.468 5.709 -0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.458 6.083 1.585 1.00 0.00 H new ATOM 401 N TYR A 51 -9.758 5.821 5.056 1.00 0.00 N ATOM 402 CA TYR A 51 -9.930 6.538 6.311 1.00 0.00 C ATOM 403 C TYR A 51 -9.653 8.019 6.068 1.00 0.00 C ATOM 404 O TYR A 51 -9.317 8.415 4.949 1.00 0.00 O ATOM 405 CB TYR A 51 -9.036 5.954 7.424 1.00 0.00 C ATOM 406 CG TYR A 51 -7.600 6.454 7.501 1.00 0.00 C ATOM 407 CD1 TYR A 51 -6.824 6.612 6.338 1.00 0.00 C ATOM 408 CD2 TYR A 51 -7.035 6.766 8.753 1.00 0.00 C ATOM 409 CE1 TYR A 51 -5.504 7.086 6.419 1.00 0.00 C ATOM 410 CE2 TYR A 51 -5.720 7.256 8.834 1.00 0.00 C ATOM 411 CZ TYR A 51 -4.961 7.432 7.665 1.00 0.00 C ATOM 412 OH TYR A 51 -3.682 7.896 7.739 1.00 0.00 O ATOM 0 H TYR A 51 -9.204 6.334 4.371 1.00 0.00 H new ATOM 0 HA TYR A 51 -10.956 6.422 6.661 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.515 6.156 8.382 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.010 4.871 7.302 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.247 6.367 5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.614 6.628 9.654 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.908 7.184 5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.293 7.497 9.796 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.458 8.091 8.673 1.00 0.00 H new ATOM 422 N VAL A 52 -9.787 8.844 7.106 1.00 0.00 N ATOM 423 CA VAL A 52 -9.516 10.256 7.007 1.00 0.00 C ATOM 424 C VAL A 52 -8.110 10.484 6.459 1.00 0.00 C ATOM 425 O VAL A 52 -7.168 9.786 6.826 1.00 0.00 O ATOM 426 CB VAL A 52 -9.762 10.892 8.382 1.00 0.00 C ATOM 427 CG1 VAL A 52 -8.785 10.404 9.463 1.00 0.00 C ATOM 428 CG2 VAL A 52 -9.692 12.407 8.266 1.00 0.00 C ATOM 0 H VAL A 52 -10.087 8.541 8.033 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.186 10.743 6.299 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.757 10.580 8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.015 10.893 10.409 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.881 9.325 9.580 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.764 10.647 9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.867 12.855 9.244 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.706 12.699 7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -10.453 12.754 7.566 1.00 0.00 H new ATOM 438 N GLY A 53 -7.990 11.427 5.525 1.00 0.00 N ATOM 439 CA GLY A 53 -6.738 11.708 4.857 1.00 0.00 C ATOM 440 C GLY A 53 -6.613 10.897 3.572 1.00 0.00 C ATOM 441 O GLY A 53 -6.099 11.435 2.594 1.00 0.00 O ATOM 0 H GLY A 53 -8.765 12.014 5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.674 12.772 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.906 11.474 5.522 1.00 0.00 H new ATOM 445 N GLY A 54 -7.094 9.644 3.545 1.00 0.00 N ATOM 446 CA GLY A 54 -6.964 8.791 2.365 1.00 0.00 C ATOM 447 C GLY A 54 -7.165 7.310 2.679 1.00 0.00 C ATOM 448 O GLY A 54 -8.303 6.846 2.796 1.00 0.00 O ATOM 0 H GLY A 54 -7.575 9.204 4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.693 9.101 1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.976 8.934 1.926 1.00 0.00 H new ATOM 452 N TYR A 55 -6.071 6.549 2.783 1.00 0.00 N ATOM 453 CA TYR A 55 -6.127 5.127 3.112 1.00 0.00 C ATOM 454 C TYR A 55 -4.901 4.650 3.889 1.00 0.00 C ATOM 455 O TYR A 55 -3.854 5.292 3.875 1.00 0.00 O ATOM 456 CB TYR A 55 -6.391 4.250 1.865 1.00 0.00 C ATOM 457 CG TYR A 55 -5.354 4.178 0.748 1.00 0.00 C ATOM 458 CD1 TYR A 55 -4.045 3.713 0.996 1.00 0.00 C ATOM 459 CD2 TYR A 55 -5.781 4.305 -0.589 1.00 0.00 C ATOM 460 CE1 TYR A 55 -3.141 3.525 -0.063 1.00 0.00 C ATOM 461 CE2 TYR A 55 -4.894 4.044 -1.649 1.00 0.00 C ATOM 462 CZ TYR A 55 -3.569 3.671 -1.389 1.00 0.00 C ATOM 463 OH TYR A 55 -2.673 3.672 -2.420 1.00 0.00 O ATOM 0 H TYR A 55 -5.125 6.903 2.641 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.981 5.007 3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.561 3.232 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.324 4.594 1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.735 3.500 2.008 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.797 4.605 -0.801 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.113 3.267 0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.237 4.132 -2.669 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.762 3.639 -2.061 1.00 0.00 H new ATOM 473 N PHE A 56 -5.055 3.505 4.555 1.00 0.00 N ATOM 474 CA PHE A 56 -3.991 2.707 5.154 1.00 0.00 C ATOM 475 C PHE A 56 -4.123 1.331 4.489 1.00 0.00 C ATOM 476 O PHE A 56 -5.044 1.153 3.692 1.00 0.00 O ATOM 477 CB PHE A 56 -4.077 2.690 6.684 1.00 0.00 C ATOM 478 CG PHE A 56 -5.298 2.018 7.280 1.00 0.00 C ATOM 479 CD1 PHE A 56 -6.477 2.759 7.485 1.00 0.00 C ATOM 480 CD2 PHE A 56 -5.213 0.694 7.754 1.00 0.00 C ATOM 481 CE1 PHE A 56 -7.557 2.188 8.180 1.00 0.00 C ATOM 482 CE2 PHE A 56 -6.294 0.125 8.449 1.00 0.00 C ATOM 483 CZ PHE A 56 -7.463 0.873 8.669 1.00 0.00 C ATOM 0 H PHE A 56 -5.976 3.089 4.697 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.997 3.119 4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.189 2.191 7.071 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.045 3.720 7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -6.552 3.768 7.108 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.317 0.116 7.583 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.460 2.760 8.339 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.226 -0.889 8.815 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.288 0.438 9.213 1.00 0.00 H new ATOM 493 N CYS A 57 -3.240 0.359 4.751 1.00 0.00 N ATOM 494 CA CYS A 57 -3.282 -0.907 4.021 1.00 0.00 C ATOM 495 C CYS A 57 -3.031 -2.132 4.882 1.00 0.00 C ATOM 496 O CYS A 57 -2.704 -2.030 6.063 1.00 0.00 O ATOM 497 CB CYS A 57 -2.368 -0.837 2.789 1.00 0.00 C ATOM 498 SG CYS A 57 -2.874 0.412 1.576 1.00 0.00 S ATOM 0 H CYS A 57 -2.501 0.425 5.451 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.308 -1.043 3.678 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.350 -0.623 3.115 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.349 -1.814 2.305 1.00 0.00 H new ATOM 503 N SER A 58 -3.276 -3.302 4.285 1.00 0.00 N ATOM 504 CA SER A 58 -3.188 -4.611 4.914 1.00 0.00 C ATOM 505 C SER A 58 -3.020 -5.668 3.819 1.00 0.00 C ATOM 506 O SER A 58 -2.925 -5.328 2.639 1.00 0.00 O ATOM 507 CB SER A 58 -4.451 -4.869 5.747 1.00 0.00 C ATOM 508 OG SER A 58 -4.590 -3.927 6.793 1.00 0.00 O ATOM 0 H SER A 58 -3.553 -3.358 3.305 1.00 0.00 H new ATOM 0 HA SER A 58 -2.330 -4.657 5.585 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.328 -4.827 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.411 -5.875 6.166 1.00 0.00 H new ATOM 0 HG SER A 58 -5.535 -3.853 7.043 1.00 0.00 H new ATOM 514 N CYS A 59 -3.002 -6.947 4.195 1.00 0.00 N ATOM 515 CA CYS A 59 -2.728 -8.039 3.274 1.00 0.00 C ATOM 516 C CYS A 59 -3.832 -9.081 3.273 1.00 0.00 C ATOM 517 O CYS A 59 -4.680 -9.105 4.163 1.00 0.00 O ATOM 518 CB CYS A 59 -1.473 -8.791 3.747 1.00 0.00 C ATOM 519 SG CYS A 59 -0.101 -7.844 4.431 1.00 0.00 S ATOM 0 H CYS A 59 -3.178 -7.251 5.152 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.623 -7.592 2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.785 -9.512 4.502 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.091 -9.361 2.900 1.00 0.00 H new ATOM 524 N ARG A 60 -3.775 -9.976 2.285 1.00 0.00 N ATOM 525 CA ARG A 60 -4.583 -11.185 2.290 1.00 0.00 C ATOM 526 C ARG A 60 -4.005 -12.087 3.396 1.00 0.00 C ATOM 527 O ARG A 60 -2.831 -11.931 3.743 1.00 0.00 O ATOM 528 CB ARG A 60 -4.450 -11.885 0.933 1.00 0.00 C ATOM 529 CG ARG A 60 -5.071 -11.065 -0.205 1.00 0.00 C ATOM 530 CD ARG A 60 -4.655 -11.651 -1.558 1.00 0.00 C ATOM 531 NE ARG A 60 -3.216 -11.452 -1.786 1.00 0.00 N ATOM 532 CZ ARG A 60 -2.445 -12.178 -2.608 1.00 0.00 C ATOM 533 NH1 ARG A 60 -2.961 -13.184 -3.323 1.00 0.00 N ATOM 534 NH2 ARG A 60 -1.145 -11.891 -2.710 1.00 0.00 N ATOM 0 H ARG A 60 -3.172 -9.880 1.468 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.636 -10.967 2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.396 -12.061 0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.933 -12.861 0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.157 -11.068 -0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.748 -10.026 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.890 -12.715 -1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.225 -11.176 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.764 -10.695 -1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.953 -13.407 -3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.362 -13.728 -3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.747 -11.126 -2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.549 -12.437 -3.332 1.00 0.00 H new ATOM 548 N PRO A 61 -4.775 -13.026 3.970 1.00 0.00 N ATOM 549 CA PRO A 61 -4.240 -13.921 4.983 1.00 0.00 C ATOM 550 C PRO A 61 -3.055 -14.716 4.429 1.00 0.00 C ATOM 551 O PRO A 61 -2.993 -14.996 3.233 1.00 0.00 O ATOM 552 CB PRO A 61 -5.384 -14.853 5.385 1.00 0.00 C ATOM 553 CG PRO A 61 -6.643 -14.104 4.941 1.00 0.00 C ATOM 554 CD PRO A 61 -6.180 -13.297 3.728 1.00 0.00 C ATOM 0 HA PRO A 61 -3.870 -13.365 5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.301 -15.822 4.893 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.388 -15.040 6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.447 -14.793 4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.022 -13.456 5.731 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.320 -13.858 2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.749 -12.372 3.629 1.00 0.00 H new ATOM 562 N GLY A 62 -2.129 -15.096 5.309 1.00 0.00 N ATOM 563 CA GLY A 62 -0.923 -15.828 4.936 1.00 0.00 C ATOM 564 C GLY A 62 0.209 -14.919 4.451 1.00 0.00 C ATOM 565 O GLY A 62 1.191 -15.407 3.892 1.00 0.00 O ATOM 0 H GLY A 62 -2.197 -14.902 6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.576 -16.404 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.168 -16.543 4.150 1.00 0.00 H new ATOM 569 N TYR A 63 0.073 -13.607 4.652 1.00 0.00 N ATOM 570 CA TYR A 63 1.070 -12.601 4.334 1.00 0.00 C ATOM 571 C TYR A 63 1.094 -11.581 5.470 1.00 0.00 C ATOM 572 O TYR A 63 0.112 -11.477 6.206 1.00 0.00 O ATOM 573 CB TYR A 63 0.781 -11.927 2.984 1.00 0.00 C ATOM 574 CG TYR A 63 0.711 -12.860 1.788 1.00 0.00 C ATOM 575 CD1 TYR A 63 -0.500 -13.521 1.514 1.00 0.00 C ATOM 576 CD2 TYR A 63 1.697 -12.787 0.785 1.00 0.00 C ATOM 577 CE1 TYR A 63 -0.720 -14.117 0.262 1.00 0.00 C ATOM 578 CE2 TYR A 63 1.477 -13.380 -0.469 1.00 0.00 C ATOM 579 CZ TYR A 63 0.272 -14.052 -0.729 1.00 0.00 C ATOM 580 OH TYR A 63 0.032 -14.556 -1.973 1.00 0.00 O ATOM 0 H TYR A 63 -0.773 -13.207 5.058 1.00 0.00 H new ATOM 0 HA TYR A 63 2.048 -13.072 4.238 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.165 -11.391 3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 63 1.555 -11.182 2.797 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.267 -13.570 2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 63 2.626 -12.273 0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.652 -14.625 0.062 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.236 -13.319 -1.235 1.00 0.00 H new ATOM 0 HH TYR A 63 0.824 -14.428 -2.536 1.00 0.00 H new ATOM 590 N GLU A 64 2.198 -10.839 5.615 1.00 0.00 N ATOM 591 CA GLU A 64 2.365 -9.827 6.649 1.00 0.00 C ATOM 592 C GLU A 64 2.944 -8.568 6.018 1.00 0.00 C ATOM 593 O GLU A 64 3.865 -8.647 5.203 1.00 0.00 O ATOM 594 CB GLU A 64 3.300 -10.338 7.753 1.00 0.00 C ATOM 595 CG GLU A 64 3.507 -9.341 8.905 1.00 0.00 C ATOM 596 CD GLU A 64 2.198 -8.908 9.560 1.00 0.00 C ATOM 597 OE1 GLU A 64 1.592 -7.947 9.035 1.00 0.00 O ATOM 598 OE2 GLU A 64 1.822 -9.548 10.566 1.00 0.00 O ATOM 0 H GLU A 64 3.010 -10.931 5.004 1.00 0.00 H new ATOM 0 HA GLU A 64 1.397 -9.604 7.097 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.896 -11.266 8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.269 -10.577 7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.152 -9.793 9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.027 -8.460 8.527 1.00 0.00 H new ATOM 605 N LEU A 65 2.410 -7.410 6.414 1.00 0.00 N ATOM 606 CA LEU A 65 2.884 -6.131 5.929 1.00 0.00 C ATOM 607 C LEU A 65 4.200 -5.836 6.636 1.00 0.00 C ATOM 608 O LEU A 65 4.225 -5.437 7.797 1.00 0.00 O ATOM 609 CB LEU A 65 1.847 -5.027 6.158 1.00 0.00 C ATOM 610 CG LEU A 65 2.304 -3.703 5.524 1.00 0.00 C ATOM 611 CD1 LEU A 65 2.200 -3.698 3.998 1.00 0.00 C ATOM 612 CD2 LEU A 65 1.425 -2.571 6.038 1.00 0.00 C ATOM 0 H LEU A 65 1.639 -7.343 7.079 1.00 0.00 H new ATOM 0 HA LEU A 65 3.043 -6.166 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.890 -5.328 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.689 -4.887 7.227 1.00 0.00 H new ATOM 0 HG LEU A 65 3.351 -3.576 5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.537 -2.736 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.825 -4.492 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.164 -3.863 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.745 -1.630 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.387 -2.766 5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.513 -2.506 7.123 1.00 0.00 H new ATOM 624 N GLN A 66 5.298 -6.057 5.924 1.00 0.00 N ATOM 625 CA GLN A 66 6.633 -5.804 6.427 1.00 0.00 C ATOM 626 C GLN A 66 6.893 -4.309 6.269 1.00 0.00 C ATOM 627 O GLN A 66 6.387 -3.703 5.323 1.00 0.00 O ATOM 628 CB GLN A 66 7.654 -6.628 5.632 1.00 0.00 C ATOM 629 CG GLN A 66 8.652 -7.365 6.534 1.00 0.00 C ATOM 630 CD GLN A 66 8.158 -8.671 7.168 1.00 0.00 C ATOM 631 OE1 GLN A 66 8.933 -9.304 7.877 1.00 0.00 O ATOM 632 NE2 GLN A 66 6.920 -9.103 6.936 1.00 0.00 N ATOM 0 H GLN A 66 5.281 -6.421 4.971 1.00 0.00 H new ATOM 0 HA GLN A 66 6.725 -6.094 7.474 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.126 -7.353 5.013 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.199 -5.969 4.956 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.545 -7.585 5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.954 -6.689 7.334 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.293 -8.560 6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.599 -9.977 7.351 1.00 0.00 H new ATOM 641 N GLU A 67 7.659 -3.706 7.184 1.00 0.00 N ATOM 642 CA GLU A 67 7.996 -2.282 7.198 1.00 0.00 C ATOM 643 C GLU A 67 6.826 -1.396 7.617 1.00 0.00 C ATOM 644 O GLU A 67 6.965 -0.560 8.504 1.00 0.00 O ATOM 645 CB GLU A 67 8.670 -1.850 5.881 1.00 0.00 C ATOM 646 CG GLU A 67 9.368 -0.489 6.039 1.00 0.00 C ATOM 647 CD GLU A 67 10.165 -0.085 4.800 1.00 0.00 C ATOM 648 OE1 GLU A 67 10.851 -0.971 4.245 1.00 0.00 O ATOM 649 OE2 GLU A 67 10.076 1.106 4.433 1.00 0.00 O ATOM 0 H GLU A 67 8.076 -4.216 7.963 1.00 0.00 H new ATOM 0 HA GLU A 67 8.739 -2.133 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.398 -2.603 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.923 -1.790 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.620 0.275 6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.036 -0.526 6.899 1.00 0.00 H new ATOM 656 N ASP A 68 5.703 -1.602 6.941 1.00 0.00 N ATOM 657 CA ASP A 68 4.458 -0.851 6.907 1.00 0.00 C ATOM 658 C ASP A 68 4.387 -0.308 5.480 1.00 0.00 C ATOM 659 O ASP A 68 3.318 -0.041 4.938 1.00 0.00 O ATOM 660 CB ASP A 68 4.366 0.289 7.931 1.00 0.00 C ATOM 661 CG ASP A 68 3.033 1.021 7.807 1.00 0.00 C ATOM 662 OD1 ASP A 68 2.008 0.398 8.159 1.00 0.00 O ATOM 663 OD2 ASP A 68 3.064 2.188 7.361 1.00 0.00 O ATOM 0 H ASP A 68 5.639 -2.409 6.321 1.00 0.00 H new ATOM 0 HA ASP A 68 3.624 -1.498 7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.474 -0.112 8.939 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.187 0.990 7.777 1.00 0.00 H new ATOM 668 N ARG A 69 5.556 -0.180 4.843 1.00 0.00 N ATOM 669 CA ARG A 69 5.660 0.380 3.526 1.00 0.00 C ATOM 670 C ARG A 69 5.283 -0.602 2.413 1.00 0.00 C ATOM 671 O ARG A 69 6.141 -1.137 1.715 1.00 0.00 O ATOM 672 CB ARG A 69 7.043 1.013 3.338 1.00 0.00 C ATOM 673 CG ARG A 69 7.218 1.721 1.990 1.00 0.00 C ATOM 674 CD ARG A 69 6.094 2.717 1.666 1.00 0.00 C ATOM 675 NE ARG A 69 6.353 3.420 0.402 1.00 0.00 N ATOM 676 CZ ARG A 69 7.167 4.475 0.251 1.00 0.00 C ATOM 677 NH1 ARG A 69 7.837 4.971 1.296 1.00 0.00 N ATOM 678 NH2 ARG A 69 7.309 5.028 -0.958 1.00 0.00 N ATOM 0 H ARG A 69 6.449 -0.468 5.243 1.00 0.00 H new ATOM 0 HA ARG A 69 4.914 1.170 3.439 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.217 1.730 4.140 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.804 0.238 3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.171 2.249 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.267 0.972 1.200 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.143 2.188 1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.002 3.441 2.475 1.00 0.00 H new ATOM 0 HE ARG A 69 5.874 3.077 -0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.731 4.547 2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.454 5.774 1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.800 4.647 -1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.926 5.831 -1.082 1.00 0.00 H new ATOM 692 N HIS A 70 3.980 -0.831 2.265 1.00 0.00 N ATOM 693 CA HIS A 70 3.339 -1.518 1.147 1.00 0.00 C ATOM 694 C HIS A 70 4.050 -2.808 0.725 1.00 0.00 C ATOM 695 O HIS A 70 4.169 -3.093 -0.464 1.00 0.00 O ATOM 696 CB HIS A 70 3.265 -0.550 -0.044 1.00 0.00 C ATOM 697 CG HIS A 70 2.484 0.722 0.166 1.00 0.00 C ATOM 698 ND1 HIS A 70 2.074 1.191 1.416 1.00 0.00 N ATOM 699 CD2 HIS A 70 2.054 1.597 -0.788 1.00 0.00 C ATOM 700 CE1 HIS A 70 1.376 2.302 1.154 1.00 0.00 C ATOM 701 NE2 HIS A 70 1.295 2.559 -0.162 1.00 0.00 N ATOM 0 H HIS A 70 3.304 -0.524 2.964 1.00 0.00 H new ATOM 0 HA HIS A 70 2.345 -1.819 1.478 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.282 -0.282 -0.328 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.828 -1.082 -0.889 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.270 1.544 -1.845 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.928 2.923 1.916 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.775 3.315 -0.608 1.00 0.00 H new ATOM 709 N SER A 71 4.503 -3.605 1.691 1.00 0.00 N ATOM 710 CA SER A 71 5.276 -4.810 1.436 1.00 0.00 C ATOM 711 C SER A 71 4.638 -6.027 2.107 1.00 0.00 C ATOM 712 O SER A 71 5.132 -6.505 3.128 1.00 0.00 O ATOM 713 CB SER A 71 6.696 -4.546 1.941 1.00 0.00 C ATOM 714 OG SER A 71 7.326 -3.574 1.130 1.00 0.00 O ATOM 0 H SER A 71 4.340 -3.427 2.682 1.00 0.00 H new ATOM 0 HA SER A 71 5.299 -5.042 0.371 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.665 -4.203 2.975 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.273 -5.471 1.929 1.00 0.00 H new ATOM 0 HG SER A 71 6.932 -2.695 1.307 1.00 0.00 H new ATOM 720 N CYS A 72 3.534 -6.534 1.545 1.00 0.00 N ATOM 721 CA CYS A 72 2.873 -7.721 2.088 1.00 0.00 C ATOM 722 C CYS A 72 3.528 -8.979 1.539 1.00 0.00 C ATOM 723 O CYS A 72 3.040 -9.564 0.569 1.00 0.00 O ATOM 724 CB CYS A 72 1.373 -7.736 1.821 1.00 0.00 C ATOM 725 SG CYS A 72 0.407 -6.618 2.853 1.00 0.00 S ATOM 0 H CYS A 72 3.083 -6.141 0.719 1.00 0.00 H new ATOM 0 HA CYS A 72 2.995 -7.690 3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.202 -7.480 0.775 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.003 -8.751 1.965 1.00 0.00 H new ATOM 730 N GLN A 73 4.638 -9.373 2.162 1.00 0.00 N ATOM 731 CA GLN A 73 5.357 -10.594 1.830 1.00 0.00 C ATOM 732 C GLN A 73 4.696 -11.756 2.561 1.00 0.00 C ATOM 733 O GLN A 73 3.880 -11.548 3.459 1.00 0.00 O ATOM 734 CB GLN A 73 6.851 -10.494 2.176 1.00 0.00 C ATOM 735 CG GLN A 73 7.120 -9.675 3.443 1.00 0.00 C ATOM 736 CD GLN A 73 8.586 -9.729 3.854 1.00 0.00 C ATOM 737 OE1 GLN A 73 9.368 -8.857 3.488 1.00 0.00 O ATOM 738 NE2 GLN A 73 8.972 -10.735 4.627 1.00 0.00 N ATOM 0 H GLN A 73 5.066 -8.843 2.921 1.00 0.00 H new ATOM 0 HA GLN A 73 5.306 -10.757 0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.256 -11.498 2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.383 -10.042 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.828 -8.638 3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.501 -10.052 4.257 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.298 -11.445 4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.943 -10.799 4.934 1.00 0.00 H new ATOM 747 N ALA A 74 5.028 -12.981 2.148 1.00 0.00 N ATOM 748 CA ALA A 74 4.491 -14.203 2.735 1.00 0.00 C ATOM 749 C ALA A 74 5.130 -14.430 4.105 1.00 0.00 C ATOM 750 O ALA A 74 5.961 -15.319 4.277 1.00 0.00 O ATOM 751 CB ALA A 74 4.708 -15.372 1.783 1.00 0.00 C ATOM 0 H ALA A 74 5.686 -13.151 1.387 1.00 0.00 H new ATOM 0 HA ALA A 74 3.415 -14.113 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.305 -16.282 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.200 -15.172 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.775 -15.499 1.600 1.00 0.00 H new ATOM 757 N GLU A 75 4.672 -13.608 5.047 1.00 0.00 N ATOM 758 CA GLU A 75 5.122 -13.423 6.415 1.00 0.00 C ATOM 759 C GLU A 75 6.316 -12.464 6.409 1.00 0.00 C ATOM 760 O GLU A 75 6.459 -11.722 7.404 1.00 0.00 O ATOM 761 CB GLU A 75 5.406 -14.741 7.150 1.00 0.00 C ATOM 762 CG GLU A 75 4.207 -15.705 7.124 1.00 0.00 C ATOM 763 CD GLU A 75 2.951 -15.090 7.736 1.00 0.00 C ATOM 764 OE1 GLU A 75 2.858 -15.114 8.982 1.00 0.00 O ATOM 765 OE2 GLU A 75 2.104 -14.608 6.952 1.00 0.00 O ATOM 766 OXT GLU A 75 7.038 -12.428 5.387 1.00 0.00 O ATOM 0 H GLU A 75 3.888 -12.988 4.841 1.00 0.00 H new ATOM 0 HA GLU A 75 4.312 -12.978 6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.268 -15.228 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.671 -14.525 8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.001 -15.996 6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.464 -16.615 7.667 1.00 0.00 H new TER 773 GLU A 75