USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 509 hydrogens (10 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 Single : A 4 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.06) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -3.2! C(o=-3.2!,f=-3.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 25 GLN : amide:sc= -0.0141 K(o=-0.014,f=-0.97) USER MOD Single : A 28 HIS : no HD1:sc= -1.71 X(o=-1.7,f=-1.3) USER MOD Single : B 3 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.5!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN : amide:sc= -7.47! C(o=-7.5!,f=-10!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -1.15 K(o=-1.1,f=-6.5!) USER MOD Single : B 22 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.105) USER MOD Single : B 24 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.1!) USER MOD Single : B 28 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.49) USER MOD Single : B 29 LYS NZ :NH3+ -154:sc= -0.0509 (180deg=-0.428) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 -22.411 3.643 -3.291 1.00 0.00 C HETATM 2 O ACE A 0 -23.106 2.646 -3.101 1.00 0.00 O HETATM 3 CH3 ACE A 0 -22.832 5.005 -2.747 1.00 0.00 C HETATM 0 H1 ACE A 0 -22.067 5.376 -2.065 1.00 0.00 H new HETATM 0 H2 ACE A 0 -22.952 5.706 -3.573 1.00 0.00 H new HETATM 0 H3 ACE A 0 -23.778 4.907 -2.214 1.00 0.00 H new ATOM 7 N GLU A 1 -21.268 3.610 -3.968 1.00 0.00 N ATOM 8 CA GLU A 1 -20.753 2.371 -4.538 1.00 0.00 C ATOM 9 C GLU A 1 -20.126 1.494 -3.458 1.00 0.00 C ATOM 10 O GLU A 1 -19.026 1.771 -2.982 1.00 0.00 O ATOM 11 CB GLU A 1 -19.723 2.675 -5.628 1.00 0.00 C ATOM 12 CG GLU A 1 -20.175 3.741 -6.612 1.00 0.00 C ATOM 13 CD GLU A 1 -19.021 4.342 -7.390 1.00 0.00 C ATOM 14 OE1 GLU A 1 -18.124 4.938 -6.756 1.00 0.00 O ATOM 15 OE2 GLU A 1 -19.014 4.218 -8.632 1.00 0.00 O ATOM 0 H GLU A 1 -20.681 4.427 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 1 -21.589 1.829 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -18.794 2.997 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -19.503 1.758 -6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -20.891 3.307 -7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -20.695 4.532 -6.072 1.00 0.00 H new ATOM 22 N VAL A 2 -20.836 0.437 -3.077 1.00 0.00 N ATOM 23 CA VAL A 2 -20.351 -0.481 -2.053 1.00 0.00 C ATOM 24 C VAL A 2 -19.293 -1.424 -2.616 1.00 0.00 C ATOM 25 O VAL A 2 -18.139 -1.406 -2.189 1.00 0.00 O ATOM 26 CB VAL A 2 -21.499 -1.314 -1.455 1.00 0.00 C ATOM 27 CG1 VAL A 2 -21.010 -2.119 -0.261 1.00 0.00 C ATOM 28 CG2 VAL A 2 -22.663 -0.416 -1.063 1.00 0.00 C ATOM 0 H VAL A 2 -21.749 0.195 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 2 -19.908 0.130 -1.266 1.00 0.00 H new ATOM 0 HB VAL A 2 -21.850 -2.013 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.836 -2.701 0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.213 -2.792 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.630 -1.441 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -23.465 -1.023 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -22.329 0.309 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -23.030 0.110 -1.945 1.00 0.00 H new ATOM 38 N ALA A 3 -19.695 -2.249 -3.578 1.00 0.00 N ATOM 39 CA ALA A 3 -18.783 -3.202 -4.201 1.00 0.00 C ATOM 40 C ALA A 3 -17.562 -2.496 -4.781 1.00 0.00 C ATOM 41 O ALA A 3 -16.476 -3.072 -4.855 1.00 0.00 O ATOM 42 CB ALA A 3 -19.504 -3.988 -5.286 1.00 0.00 C ATOM 0 H ALA A 3 -20.647 -2.277 -3.943 1.00 0.00 H new ATOM 0 HA ALA A 3 -18.439 -3.894 -3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -18.812 -4.696 -5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -20.341 -4.531 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -19.876 -3.301 -6.047 1.00 0.00 H new ATOM 48 N GLN A 4 -17.747 -1.246 -5.192 1.00 0.00 N ATOM 49 CA GLN A 4 -16.661 -0.460 -5.766 1.00 0.00 C ATOM 50 C GLN A 4 -15.531 -0.272 -4.757 1.00 0.00 C ATOM 51 O GLN A 4 -14.357 -0.246 -5.124 1.00 0.00 O ATOM 52 CB GLN A 4 -17.181 0.904 -6.226 1.00 0.00 C ATOM 53 CG GLN A 4 -16.117 1.777 -6.869 1.00 0.00 C ATOM 54 CD GLN A 4 -15.546 1.162 -8.132 1.00 0.00 C ATOM 55 OE1 GLN A 4 -14.330 1.041 -8.282 1.00 0.00 O ATOM 56 NE2 GLN A 4 -16.423 0.772 -9.049 1.00 0.00 N ATOM 0 H GLN A 4 -18.640 -0.755 -5.138 1.00 0.00 H new ATOM 0 HA GLN A 4 -16.268 -1.002 -6.626 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -17.993 0.753 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -17.602 1.431 -5.369 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -16.545 2.751 -7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -15.311 1.947 -6.155 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.422 0.892 -8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.098 0.353 -9.920 1.00 0.00 H new ATOM 65 N LEU A 5 -15.896 -0.141 -3.486 1.00 0.00 N ATOM 66 CA LEU A 5 -14.914 0.044 -2.425 1.00 0.00 C ATOM 67 C LEU A 5 -14.239 -1.278 -2.074 1.00 0.00 C ATOM 68 O LEU A 5 -13.080 -1.305 -1.661 1.00 0.00 O ATOM 69 CB LEU A 5 -15.581 0.634 -1.181 1.00 0.00 C ATOM 70 CG LEU A 5 -16.302 1.965 -1.403 1.00 0.00 C ATOM 71 CD1 LEU A 5 -17.241 2.264 -0.246 1.00 0.00 C ATOM 72 CD2 LEU A 5 -15.294 3.093 -1.580 1.00 0.00 C ATOM 0 H LEU A 5 -16.864 -0.160 -3.166 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.153 0.737 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.298 -0.090 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.822 0.773 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.896 1.887 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.744 3.215 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.983 1.470 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.670 2.322 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.823 4.033 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.674 3.170 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.662 2.884 -2.443 1.00 0.00 H new ATOM 84 N GLU A 6 -14.972 -2.374 -2.245 1.00 0.00 N ATOM 85 CA GLU A 6 -14.446 -3.703 -1.951 1.00 0.00 C ATOM 86 C GLU A 6 -13.177 -3.974 -2.749 1.00 0.00 C ATOM 87 O GLU A 6 -12.160 -4.394 -2.196 1.00 0.00 O ATOM 88 CB GLU A 6 -15.494 -4.768 -2.278 1.00 0.00 C ATOM 89 CG GLU A 6 -16.390 -5.121 -1.103 1.00 0.00 C ATOM 90 CD GLU A 6 -17.424 -6.173 -1.455 1.00 0.00 C ATOM 91 OE1 GLU A 6 -17.049 -7.358 -1.573 1.00 0.00 O ATOM 92 OE2 GLU A 6 -18.610 -5.812 -1.612 1.00 0.00 O ATOM 0 H GLU A 6 -15.933 -2.368 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.205 -3.744 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.113 -4.415 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.988 -5.670 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.776 -5.482 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.897 -4.221 -0.754 1.00 0.00 H new ATOM 99 N LYS A 7 -13.246 -3.733 -4.052 1.00 0.00 N ATOM 100 CA LYS A 7 -12.106 -3.952 -4.930 1.00 0.00 C ATOM 101 C LYS A 7 -11.005 -2.933 -4.659 1.00 0.00 C ATOM 102 O LYS A 7 -9.831 -3.190 -4.927 1.00 0.00 O ATOM 103 CB LYS A 7 -12.545 -3.884 -6.393 1.00 0.00 C ATOM 104 CG LYS A 7 -13.365 -5.086 -6.832 1.00 0.00 C ATOM 105 CD LYS A 7 -14.798 -4.996 -6.334 1.00 0.00 C ATOM 106 CE LYS A 7 -15.646 -6.142 -6.862 1.00 0.00 C ATOM 107 NZ LYS A 7 -16.491 -6.745 -5.794 1.00 0.00 N ATOM 0 H LYS A 7 -14.081 -3.385 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.705 -4.945 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.131 -2.978 -6.547 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.662 -3.805 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.361 -5.153 -7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.904 -5.999 -6.455 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.807 -5.008 -5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.233 -4.047 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.284 -5.780 -7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.997 -6.908 -7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.054 -7.523 -6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.882 -7.113 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -17.128 -6.021 -5.405 1.00 0.00 H new ATOM 121 N GLU A 8 -11.386 -1.780 -4.119 1.00 0.00 N ATOM 122 CA GLU A 8 -10.423 -0.733 -3.804 1.00 0.00 C ATOM 123 C GLU A 8 -9.351 -1.258 -2.854 1.00 0.00 C ATOM 124 O GLU A 8 -8.213 -0.789 -2.865 1.00 0.00 O ATOM 125 CB GLU A 8 -11.132 0.471 -3.183 1.00 0.00 C ATOM 126 CG GLU A 8 -10.269 1.720 -3.121 1.00 0.00 C ATOM 127 CD GLU A 8 -10.992 2.897 -2.498 1.00 0.00 C ATOM 128 OE1 GLU A 8 -11.034 2.977 -1.253 1.00 0.00 O ATOM 129 OE2 GLU A 8 -11.517 3.740 -3.256 1.00 0.00 O ATOM 0 H GLU A 8 -12.353 -1.548 -3.891 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.942 -0.419 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.031 0.689 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.454 0.212 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.368 1.506 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.949 1.987 -4.128 1.00 0.00 H new ATOM 136 N VAL A 9 -9.724 -2.242 -2.041 1.00 0.00 N ATOM 137 CA VAL A 9 -8.798 -2.844 -1.089 1.00 0.00 C ATOM 138 C VAL A 9 -7.858 -3.815 -1.796 1.00 0.00 C ATOM 139 O VAL A 9 -6.637 -3.684 -1.716 1.00 0.00 O ATOM 140 CB VAL A 9 -9.552 -3.585 0.033 1.00 0.00 C ATOM 141 CG1 VAL A 9 -8.579 -4.282 0.976 1.00 0.00 C ATOM 142 CG2 VAL A 9 -10.442 -2.618 0.799 1.00 0.00 C ATOM 0 H VAL A 9 -10.663 -2.640 -2.023 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.216 -2.037 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.181 -4.349 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.136 -4.797 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.986 -5.005 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.918 -3.543 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.968 -3.155 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.830 -1.832 1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.167 -2.173 0.117 1.00 0.00 H new ATOM 152 N ALA A 10 -8.437 -4.787 -2.495 1.00 0.00 N ATOM 153 CA ALA A 10 -7.650 -5.775 -3.224 1.00 0.00 C ATOM 154 C ALA A 10 -6.680 -5.093 -4.182 1.00 0.00 C ATOM 155 O ALA A 10 -5.616 -5.628 -4.494 1.00 0.00 O ATOM 156 CB ALA A 10 -8.566 -6.725 -3.982 1.00 0.00 C ATOM 0 H ALA A 10 -9.447 -4.911 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.069 -6.351 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.965 -7.457 -4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.219 -7.240 -3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.171 -6.159 -4.691 1.00 0.00 H new ATOM 162 N GLN A 11 -7.055 -3.901 -4.639 1.00 0.00 N ATOM 163 CA GLN A 11 -6.221 -3.135 -5.556 1.00 0.00 C ATOM 164 C GLN A 11 -4.863 -2.834 -4.926 1.00 0.00 C ATOM 165 O GLN A 11 -3.820 -3.157 -5.493 1.00 0.00 O ATOM 166 CB GLN A 11 -6.925 -1.831 -5.943 1.00 0.00 C ATOM 167 CG GLN A 11 -6.079 -0.908 -6.803 1.00 0.00 C ATOM 168 CD GLN A 11 -6.916 0.016 -7.665 1.00 0.00 C ATOM 169 OE1 GLN A 11 -7.069 1.199 -7.362 1.00 0.00 O ATOM 170 NE2 GLN A 11 -7.464 -0.521 -8.748 1.00 0.00 N ATOM 0 H GLN A 11 -7.932 -3.446 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.059 -3.730 -6.455 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.844 -2.070 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.214 -1.302 -5.035 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.431 -0.312 -6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.430 -1.507 -7.442 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.311 -1.507 -8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.038 0.052 -9.367 1.00 0.00 H new ATOM 179 N LEU A 12 -4.885 -2.215 -3.748 1.00 0.00 N ATOM 180 CA LEU A 12 -3.654 -1.876 -3.043 1.00 0.00 C ATOM 181 C LEU A 12 -3.038 -3.114 -2.401 1.00 0.00 C ATOM 182 O LEU A 12 -1.820 -3.273 -2.385 1.00 0.00 O ATOM 183 CB LEU A 12 -3.920 -0.816 -1.973 1.00 0.00 C ATOM 184 CG LEU A 12 -4.480 0.507 -2.499 1.00 0.00 C ATOM 185 CD1 LEU A 12 -5.141 1.289 -1.375 1.00 0.00 C ATOM 186 CD2 LEU A 12 -3.376 1.329 -3.145 1.00 0.00 C ATOM 0 H LEU A 12 -5.739 -1.939 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.951 -1.474 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.619 -1.225 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.989 -0.614 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.235 0.289 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.534 2.227 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.957 0.702 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.407 1.500 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.790 2.267 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.601 1.539 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.945 0.770 -3.976 1.00 0.00 H new ATOM 198 N GLU A 13 -3.888 -3.989 -1.872 1.00 0.00 N ATOM 199 CA GLU A 13 -3.420 -5.212 -1.227 1.00 0.00 C ATOM 200 C GLU A 13 -2.460 -5.981 -2.133 1.00 0.00 C ATOM 201 O GLU A 13 -1.608 -6.730 -1.656 1.00 0.00 O ATOM 202 CB GLU A 13 -4.607 -6.099 -0.849 1.00 0.00 C ATOM 203 CG GLU A 13 -5.133 -5.842 0.554 1.00 0.00 C ATOM 204 CD GLU A 13 -6.276 -6.765 0.927 1.00 0.00 C ATOM 205 OE1 GLU A 13 -7.098 -7.080 0.041 1.00 0.00 O ATOM 206 OE2 GLU A 13 -6.349 -7.173 2.105 1.00 0.00 O ATOM 0 H GLU A 13 -4.902 -3.875 -1.877 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.882 -4.930 -0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.413 -5.939 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.310 -7.145 -0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.321 -5.967 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.467 -4.807 0.629 1.00 0.00 H new ATOM 213 N ALA A 14 -2.602 -5.787 -3.442 1.00 0.00 N ATOM 214 CA ALA A 14 -1.745 -6.460 -4.411 1.00 0.00 C ATOM 215 C ALA A 14 -0.440 -5.695 -4.612 1.00 0.00 C ATOM 216 O ALA A 14 0.618 -6.294 -4.802 1.00 0.00 O ATOM 217 CB ALA A 14 -2.474 -6.624 -5.736 1.00 0.00 C ATOM 0 H ALA A 14 -3.302 -5.170 -3.854 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.500 -7.448 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.822 -7.128 -6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.375 -7.219 -5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.748 -5.643 -6.124 1.00 0.00 H new ATOM 223 N GLU A 15 -0.525 -4.370 -4.569 1.00 0.00 N ATOM 224 CA GLU A 15 0.649 -3.521 -4.747 1.00 0.00 C ATOM 225 C GLU A 15 1.372 -3.311 -3.420 1.00 0.00 C ATOM 226 O GLU A 15 2.564 -3.593 -3.299 1.00 0.00 O ATOM 227 CB GLU A 15 0.245 -2.171 -5.341 1.00 0.00 C ATOM 228 CG GLU A 15 1.375 -1.467 -6.074 1.00 0.00 C ATOM 229 CD GLU A 15 1.265 -1.598 -7.581 1.00 0.00 C ATOM 230 OE1 GLU A 15 0.956 -2.710 -8.058 1.00 0.00 O ATOM 231 OE2 GLU A 15 1.488 -0.590 -8.282 1.00 0.00 O ATOM 0 H GLU A 15 -1.394 -3.860 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 15 1.328 -4.022 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.586 -2.321 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.116 -1.525 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.376 -0.411 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.329 -1.880 -5.746 1.00 0.00 H new ATOM 238 N ASN A 16 0.641 -2.816 -2.424 1.00 0.00 N ATOM 239 CA ASN A 16 1.205 -2.567 -1.102 1.00 0.00 C ATOM 240 C ASN A 16 1.969 -3.789 -0.592 1.00 0.00 C ATOM 241 O ASN A 16 3.005 -3.658 0.058 1.00 0.00 O ATOM 242 CB ASN A 16 0.089 -2.195 -0.122 1.00 0.00 C ATOM 243 CG ASN A 16 0.596 -1.992 1.293 1.00 0.00 C ATOM 244 OD1 ASN A 16 1.797 -1.856 1.523 1.00 0.00 O ATOM 245 ND2 ASN A 16 -0.324 -1.970 2.248 1.00 0.00 N ATOM 0 H ASN A 16 -0.347 -2.579 -2.509 1.00 0.00 H new ATOM 0 HA ASN A 16 1.908 -1.737 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.399 -1.282 -0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.667 -2.980 -0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.047 -1.836 3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.309 -2.087 2.010 1.00 0.00 H new ATOM 252 N TYR A 17 1.448 -4.975 -0.894 1.00 0.00 N ATOM 253 CA TYR A 17 2.081 -6.218 -0.467 1.00 0.00 C ATOM 254 C TYR A 17 3.387 -6.452 -1.223 1.00 0.00 C ATOM 255 O TYR A 17 4.398 -6.832 -0.631 1.00 0.00 O ATOM 256 CB TYR A 17 1.129 -7.397 -0.687 1.00 0.00 C ATOM 257 CG TYR A 17 1.744 -8.746 -0.381 1.00 0.00 C ATOM 258 CD1 TYR A 17 2.198 -9.050 0.896 1.00 0.00 C ATOM 259 CD2 TYR A 17 1.870 -9.713 -1.370 1.00 0.00 C ATOM 260 CE1 TYR A 17 2.760 -10.280 1.178 1.00 0.00 C ATOM 261 CE2 TYR A 17 2.429 -10.946 -1.095 1.00 0.00 C ATOM 262 CZ TYR A 17 2.874 -11.224 0.180 1.00 0.00 C ATOM 263 OH TYR A 17 3.432 -12.450 0.457 1.00 0.00 O ATOM 0 H TYR A 17 0.591 -5.101 -1.432 1.00 0.00 H new ATOM 0 HA TYR A 17 2.310 -6.137 0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.247 -7.261 -0.062 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.790 -7.389 -1.723 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.110 -8.313 1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.525 -9.497 -2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.109 -10.501 2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.517 -11.688 -1.875 1.00 0.00 H new ATOM 0 HH TYR A 17 3.436 -12.998 -0.355 1.00 0.00 H new ATOM 273 N GLN A 18 3.356 -6.227 -2.532 1.00 0.00 N ATOM 274 CA GLN A 18 4.534 -6.417 -3.369 1.00 0.00 C ATOM 275 C GLN A 18 5.704 -5.565 -2.884 1.00 0.00 C ATOM 276 O GLN A 18 6.866 -5.897 -3.121 1.00 0.00 O ATOM 277 CB GLN A 18 4.209 -6.077 -4.825 1.00 0.00 C ATOM 278 CG GLN A 18 4.987 -6.908 -5.833 1.00 0.00 C ATOM 279 CD GLN A 18 4.100 -7.503 -6.909 1.00 0.00 C ATOM 280 OE1 GLN A 18 3.471 -8.542 -6.705 1.00 0.00 O ATOM 281 NE2 GLN A 18 4.043 -6.847 -8.061 1.00 0.00 N ATOM 0 H GLN A 18 2.527 -5.913 -3.036 1.00 0.00 H new ATOM 0 HA GLN A 18 4.826 -7.465 -3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.142 -6.222 -4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.418 -5.021 -4.998 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.750 -6.285 -6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.507 -7.711 -5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.581 -5.990 -8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.461 -7.200 -8.821 1.00 0.00 H new ATOM 290 N LEU A 19 5.393 -4.464 -2.205 1.00 0.00 N ATOM 291 CA LEU A 19 6.423 -3.570 -1.692 1.00 0.00 C ATOM 292 C LEU A 19 6.687 -3.831 -0.213 1.00 0.00 C ATOM 293 O LEU A 19 7.834 -3.952 0.207 1.00 0.00 O ATOM 294 CB LEU A 19 6.009 -2.113 -1.894 1.00 0.00 C ATOM 295 CG LEU A 19 5.655 -1.731 -3.332 1.00 0.00 C ATOM 296 CD1 LEU A 19 5.144 -0.300 -3.395 1.00 0.00 C ATOM 297 CD2 LEU A 19 6.864 -1.909 -4.240 1.00 0.00 C ATOM 0 H LEU A 19 4.438 -4.171 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 19 7.341 -3.763 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.149 -1.905 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.821 -1.471 -1.554 1.00 0.00 H new ATOM 0 HG LEU A 19 4.861 -2.392 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.897 -0.047 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.253 -0.204 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.915 0.378 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.597 -1.633 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.677 -1.271 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.185 -2.950 -4.218 1.00 0.00 H new ATOM 309 N GLU A 20 5.618 -3.917 0.572 1.00 0.00 N ATOM 310 CA GLU A 20 5.741 -4.163 2.006 1.00 0.00 C ATOM 311 C GLU A 20 6.631 -5.372 2.283 1.00 0.00 C ATOM 312 O GLU A 20 7.253 -5.467 3.342 1.00 0.00 O ATOM 313 CB GLU A 20 4.361 -4.379 2.628 1.00 0.00 C ATOM 314 CG GLU A 20 4.334 -4.180 4.135 1.00 0.00 C ATOM 315 CD GLU A 20 3.403 -5.150 4.835 1.00 0.00 C ATOM 316 OE1 GLU A 20 2.209 -5.191 4.475 1.00 0.00 O ATOM 317 OE2 GLU A 20 3.869 -5.869 5.744 1.00 0.00 O ATOM 0 H GLU A 20 4.658 -3.820 0.241 1.00 0.00 H new ATOM 0 HA GLU A 20 6.204 -3.286 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.652 -3.691 2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.022 -5.389 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.342 -4.300 4.532 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.023 -3.159 4.357 1.00 0.00 H new ATOM 324 N GLN A 21 6.688 -6.292 1.326 1.00 0.00 N ATOM 325 CA GLN A 21 7.503 -7.492 1.468 1.00 0.00 C ATOM 326 C GLN A 21 8.924 -7.249 0.967 1.00 0.00 C ATOM 327 O GLN A 21 9.873 -7.876 1.438 1.00 0.00 O ATOM 328 CB GLN A 21 6.869 -8.657 0.706 1.00 0.00 C ATOM 329 CG GLN A 21 6.547 -9.854 1.585 1.00 0.00 C ATOM 330 CD GLN A 21 7.722 -10.803 1.728 1.00 0.00 C ATOM 331 OE1 GLN A 21 8.793 -10.416 2.197 1.00 0.00 O ATOM 332 NE2 GLN A 21 7.526 -12.053 1.323 1.00 0.00 N ATOM 0 H GLN A 21 6.179 -6.229 0.444 1.00 0.00 H new ATOM 0 HA GLN A 21 7.552 -7.745 2.527 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.953 -8.311 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.545 -8.972 -0.089 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.244 -9.505 2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.698 -10.393 1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.622 -12.329 0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.280 -12.736 1.394 1.00 0.00 H new ATOM 341 N GLU A 22 9.064 -6.337 0.010 1.00 0.00 N ATOM 342 CA GLU A 22 10.372 -6.014 -0.551 1.00 0.00 C ATOM 343 C GLU A 22 11.075 -4.954 0.290 1.00 0.00 C ATOM 344 O GLU A 22 12.287 -5.015 0.500 1.00 0.00 O ATOM 345 CB GLU A 22 10.225 -5.524 -1.994 1.00 0.00 C ATOM 346 CG GLU A 22 10.477 -6.606 -3.031 1.00 0.00 C ATOM 347 CD GLU A 22 9.648 -6.417 -4.285 1.00 0.00 C ATOM 348 OE1 GLU A 22 9.984 -5.522 -5.090 1.00 0.00 O ATOM 349 OE2 GLU A 22 8.662 -7.162 -4.462 1.00 0.00 O ATOM 0 H GLU A 22 8.290 -5.809 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 22 10.978 -6.920 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.220 -5.126 -2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.920 -4.702 -2.163 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.534 -6.610 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.254 -7.580 -2.596 1.00 0.00 H new ATOM 356 N VAL A 23 10.305 -3.987 0.774 1.00 0.00 N ATOM 357 CA VAL A 23 10.847 -2.914 1.595 1.00 0.00 C ATOM 358 C VAL A 23 11.444 -3.469 2.882 1.00 0.00 C ATOM 359 O VAL A 23 12.494 -3.017 3.338 1.00 0.00 O ATOM 360 CB VAL A 23 9.766 -1.873 1.950 1.00 0.00 C ATOM 361 CG1 VAL A 23 10.396 -0.646 2.592 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.963 -1.487 0.713 1.00 0.00 C ATOM 0 H VAL A 23 9.300 -3.925 0.611 1.00 0.00 H new ATOM 0 HA VAL A 23 11.627 -2.426 1.010 1.00 0.00 H new ATOM 0 HB VAL A 23 9.082 -2.320 2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.618 0.077 2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 23 10.917 -0.939 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 23 11.105 -0.196 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.206 -0.752 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.631 -1.060 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.478 -2.373 0.303 1.00 0.00 H new ATOM 372 N ALA A 24 10.769 -4.459 3.459 1.00 0.00 N ATOM 373 CA ALA A 24 11.234 -5.084 4.690 1.00 0.00 C ATOM 374 C ALA A 24 12.622 -5.684 4.499 1.00 0.00 C ATOM 375 O ALA A 24 13.425 -5.730 5.432 1.00 0.00 O ATOM 376 CB ALA A 24 10.251 -6.154 5.142 1.00 0.00 C ATOM 0 H ALA A 24 9.899 -4.845 3.093 1.00 0.00 H new ATOM 0 HA ALA A 24 11.297 -4.318 5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.611 -6.613 6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.276 -5.701 5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.161 -6.916 4.368 1.00 0.00 H new ATOM 382 N GLN A 25 12.899 -6.138 3.281 1.00 0.00 N ATOM 383 CA GLN A 25 14.191 -6.731 2.961 1.00 0.00 C ATOM 384 C GLN A 25 15.221 -5.648 2.659 1.00 0.00 C ATOM 385 O GLN A 25 16.381 -5.753 3.055 1.00 0.00 O ATOM 386 CB GLN A 25 14.060 -7.678 1.766 1.00 0.00 C ATOM 387 CG GLN A 25 13.468 -9.031 2.126 1.00 0.00 C ATOM 388 CD GLN A 25 12.844 -9.730 0.934 1.00 0.00 C ATOM 389 OE1 GLN A 25 13.042 -9.325 -0.212 1.00 0.00 O ATOM 390 NE2 GLN A 25 12.084 -10.787 1.199 1.00 0.00 N ATOM 0 H GLN A 25 12.245 -6.106 2.499 1.00 0.00 H new ATOM 0 HA GLN A 25 14.530 -7.300 3.827 1.00 0.00 H new ATOM 0 HB2 GLN A 25 13.435 -7.208 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.044 -7.828 1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 25 14.249 -9.665 2.546 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.713 -8.899 2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.947 -11.088 2.164 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.637 -11.298 0.437 1.00 0.00 H new ATOM 399 N LEU A 26 14.787 -4.602 1.959 1.00 0.00 N ATOM 400 CA LEU A 26 15.672 -3.497 1.608 1.00 0.00 C ATOM 401 C LEU A 26 16.305 -2.892 2.857 1.00 0.00 C ATOM 402 O LEU A 26 17.490 -3.094 3.125 1.00 0.00 O ATOM 403 CB LEU A 26 14.897 -2.423 0.842 1.00 0.00 C ATOM 404 CG LEU A 26 14.539 -2.785 -0.599 1.00 0.00 C ATOM 405 CD1 LEU A 26 13.865 -1.613 -1.294 1.00 0.00 C ATOM 406 CD2 LEU A 26 15.783 -3.216 -1.364 1.00 0.00 C ATOM 0 H LEU A 26 13.829 -4.498 1.625 1.00 0.00 H new ATOM 0 HA LEU A 26 16.467 -3.885 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.977 -2.204 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.488 -1.507 0.834 1.00 0.00 H new ATOM 0 HG LEU A 26 13.839 -3.620 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.618 -1.891 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.952 -1.349 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.541 -0.758 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.510 -3.470 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.506 -2.400 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.225 -4.087 -0.879 1.00 0.00 H new ATOM 418 N GLU A 27 15.507 -2.152 3.621 1.00 0.00 N ATOM 419 CA GLU A 27 15.988 -1.520 4.844 1.00 0.00 C ATOM 420 C GLU A 27 15.800 -2.444 6.044 1.00 0.00 C ATOM 421 O GLU A 27 15.240 -2.046 7.066 1.00 0.00 O ATOM 422 CB GLU A 27 15.257 -0.197 5.082 1.00 0.00 C ATOM 423 CG GLU A 27 13.743 -0.316 4.997 1.00 0.00 C ATOM 424 CD GLU A 27 13.030 0.830 5.688 1.00 0.00 C ATOM 425 OE1 GLU A 27 13.644 1.466 6.571 1.00 0.00 O ATOM 426 OE2 GLU A 27 11.858 1.092 5.346 1.00 0.00 O ATOM 0 H GLU A 27 14.524 -1.976 3.414 1.00 0.00 H new ATOM 0 HA GLU A 27 17.053 -1.321 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.529 0.187 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.598 0.534 4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.443 -0.348 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.430 -1.258 5.447 1.00 0.00 H new ATOM 433 N HIS A 28 16.271 -3.680 5.913 1.00 0.00 N ATOM 434 CA HIS A 28 16.153 -4.661 6.985 1.00 0.00 C ATOM 435 C HIS A 28 17.013 -4.264 8.181 1.00 0.00 C ATOM 436 O HIS A 28 16.644 -4.504 9.331 1.00 0.00 O ATOM 437 CB HIS A 28 16.563 -6.048 6.485 1.00 0.00 C ATOM 438 CG HIS A 28 18.003 -6.141 6.088 1.00 0.00 C ATOM 439 ND1 HIS A 28 18.948 -6.857 6.790 1.00 0.00 N ATOM 440 CD2 HIS A 28 18.658 -5.590 5.035 1.00 0.00 C ATOM 441 CE1 HIS A 28 20.121 -6.721 6.157 1.00 0.00 C ATOM 442 NE2 HIS A 28 19.999 -5.962 5.086 1.00 0.00 N ATOM 0 H HIS A 28 16.738 -4.026 5.075 1.00 0.00 H new ATOM 0 HA HIS A 28 15.111 -4.692 7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.362 -6.781 7.267 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.941 -6.315 5.630 1.00 0.00 H new ATOM 0 HD2 HIS A 28 18.211 -4.963 4.278 1.00 0.00 H new ATOM 0 HE1 HIS A 28 21.046 -7.174 6.482 1.00 0.00 H new ATOM 0 HE2 HIS A 28 20.735 -5.701 4.430 1.00 0.00 H new ATOM 450 N GLU A 29 18.161 -3.656 7.902 1.00 0.00 N ATOM 451 CA GLU A 29 19.074 -3.226 8.954 1.00 0.00 C ATOM 452 C GLU A 29 18.402 -2.217 9.880 1.00 0.00 C ATOM 453 O GLU A 29 18.709 -2.150 11.070 1.00 0.00 O ATOM 454 CB GLU A 29 20.337 -2.614 8.345 1.00 0.00 C ATOM 455 CG GLU A 29 20.053 -1.549 7.298 1.00 0.00 C ATOM 456 CD GLU A 29 20.330 -2.030 5.886 1.00 0.00 C ATOM 457 OE1 GLU A 29 20.120 -3.231 5.617 1.00 0.00 O ATOM 458 OE2 GLU A 29 20.759 -1.205 5.052 1.00 0.00 O ATOM 0 H GLU A 29 18.481 -3.450 6.956 1.00 0.00 H new ATOM 0 HA GLU A 29 19.350 -4.103 9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.939 -2.177 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 29 20.933 -3.407 7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.011 -1.239 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 29 20.663 -0.670 7.505 1.00 0.00 H new ATOM 465 N GLY A 30 17.482 -1.434 9.326 1.00 0.00 N ATOM 466 CA GLY A 30 16.780 -0.440 10.116 1.00 0.00 C ATOM 467 C GLY A 30 17.218 0.975 9.790 1.00 0.00 C ATOM 468 O GLY A 30 17.195 1.853 10.653 1.00 0.00 O ATOM 0 H GLY A 30 17.210 -1.470 8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 30 15.708 -0.534 9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 30 16.951 -0.635 11.175 1.00 0.00 H new HETATM 472 N NH2 A 31 17.617 1.202 8.545 1.00 0.00 N TER 475 NH2 A 31 HETATM 476 C ACE B 0 -18.214 -3.825 4.505 1.00 0.00 C HETATM 477 O ACE B 0 -18.392 -4.057 3.310 1.00 0.00 O HETATM 478 CH3 ACE B 0 -17.326 -4.730 5.354 1.00 0.00 C HETATM 0 H1 ACE B 0 -16.500 -4.148 5.764 1.00 0.00 H new HETATM 0 H2 ACE B 0 -17.912 -5.153 6.170 1.00 0.00 H new HETATM 0 H3 ACE B 0 -16.930 -5.535 4.735 1.00 0.00 H new ATOM 482 N GLU B 1 -18.774 -2.797 5.133 1.00 0.00 N ATOM 483 CA GLU B 1 -19.646 -1.861 4.434 1.00 0.00 C ATOM 484 C GLU B 1 -18.854 -0.695 3.853 1.00 0.00 C ATOM 485 O GLU B 1 -17.626 -0.736 3.791 1.00 0.00 O ATOM 486 CB GLU B 1 -20.733 -1.337 5.376 1.00 0.00 C ATOM 487 CG GLU B 1 -21.378 -2.418 6.229 1.00 0.00 C ATOM 488 CD GLU B 1 -21.588 -1.980 7.666 1.00 0.00 C ATOM 489 OE1 GLU B 1 -20.716 -1.263 8.202 1.00 0.00 O ATOM 490 OE2 GLU B 1 -22.625 -2.352 8.255 1.00 0.00 O ATOM 0 H GLU B 1 -18.640 -2.591 6.123 1.00 0.00 H new ATOM 0 HA GLU B 1 -20.116 -2.398 3.610 1.00 0.00 H new ATOM 0 HB2 GLU B 1 -20.300 -0.581 6.031 1.00 0.00 H new ATOM 0 HB3 GLU B 1 -21.505 -0.844 4.786 1.00 0.00 H new ATOM 0 HG2 GLU B 1 -22.338 -2.695 5.793 1.00 0.00 H new ATOM 0 HG3 GLU B 1 -20.752 -3.310 6.213 1.00 0.00 H new ATOM 497 N VAL B 2 -19.573 0.340 3.423 1.00 0.00 N ATOM 498 CA VAL B 2 -18.950 1.527 2.838 1.00 0.00 C ATOM 499 C VAL B 2 -17.714 1.955 3.625 1.00 0.00 C ATOM 500 O VAL B 2 -16.604 1.548 3.306 1.00 0.00 O ATOM 501 CB VAL B 2 -19.940 2.713 2.740 1.00 0.00 C ATOM 502 CG1 VAL B 2 -20.614 2.730 1.377 1.00 0.00 C ATOM 503 CG2 VAL B 2 -20.979 2.658 3.853 1.00 0.00 C ATOM 0 H VAL B 2 -20.591 0.381 3.469 1.00 0.00 H new ATOM 0 HA VAL B 2 -18.647 1.249 1.829 1.00 0.00 H new ATOM 0 HB VAL B 2 -19.373 3.636 2.860 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -21.307 3.570 1.324 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -19.858 2.834 0.599 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -21.161 1.799 1.230 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -21.660 3.504 3.757 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -21.543 1.728 3.779 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -20.479 2.703 4.820 1.00 0.00 H new ATOM 513 N GLN B 3 -17.914 2.769 4.650 1.00 0.00 N ATOM 514 CA GLN B 3 -16.815 3.249 5.481 1.00 0.00 C ATOM 515 C GLN B 3 -16.026 2.088 6.078 1.00 0.00 C ATOM 516 O GLN B 3 -14.803 2.148 6.187 1.00 0.00 O ATOM 517 CB GLN B 3 -17.351 4.141 6.602 1.00 0.00 C ATOM 518 CG GLN B 3 -18.276 3.417 7.566 1.00 0.00 C ATOM 519 CD GLN B 3 -19.313 4.336 8.181 1.00 0.00 C ATOM 520 OE1 GLN B 3 -20.483 3.974 8.307 1.00 0.00 O ATOM 521 NE2 GLN B 3 -18.889 5.534 8.566 1.00 0.00 N ATOM 0 H GLN B 3 -18.832 3.114 4.929 1.00 0.00 H new ATOM 0 HA GLN B 3 -16.144 3.829 4.847 1.00 0.00 H new ATOM 0 HB2 GLN B 3 -16.510 4.554 7.159 1.00 0.00 H new ATOM 0 HB3 GLN B 3 -17.886 4.982 6.161 1.00 0.00 H new ATOM 0 HG2 GLN B 3 -18.781 2.607 7.040 1.00 0.00 H new ATOM 0 HG3 GLN B 3 -17.683 2.962 8.359 1.00 0.00 H new ATOM 0 HE21 GLN B 3 -17.910 5.792 8.443 1.00 0.00 H new ATOM 0 HE22 GLN B 3 -19.542 6.196 8.985 1.00 0.00 H new ATOM 530 N ALA B 4 -16.736 1.034 6.469 1.00 0.00 N ATOM 531 CA ALA B 4 -16.102 -0.140 7.065 1.00 0.00 C ATOM 532 C ALA B 4 -14.991 -0.692 6.174 1.00 0.00 C ATOM 533 O ALA B 4 -14.013 -1.255 6.665 1.00 0.00 O ATOM 534 CB ALA B 4 -17.141 -1.213 7.350 1.00 0.00 C ATOM 0 H ALA B 4 -17.750 0.968 6.384 1.00 0.00 H new ATOM 0 HA ALA B 4 -15.646 0.169 8.006 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -16.655 -2.082 7.794 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -17.887 -0.822 8.042 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -17.627 -1.505 6.419 1.00 0.00 H new ATOM 540 N LEU B 5 -15.141 -0.517 4.866 1.00 0.00 N ATOM 541 CA LEU B 5 -14.141 -0.988 3.911 1.00 0.00 C ATOM 542 C LEU B 5 -13.433 0.196 3.276 1.00 0.00 C ATOM 543 O LEU B 5 -12.213 0.206 3.110 1.00 0.00 O ATOM 544 CB LEU B 5 -14.802 -1.837 2.824 1.00 0.00 C ATOM 545 CG LEU B 5 -14.869 -3.337 3.115 1.00 0.00 C ATOM 546 CD1 LEU B 5 -15.922 -4.002 2.243 1.00 0.00 C ATOM 547 CD2 LEU B 5 -13.510 -3.983 2.893 1.00 0.00 C ATOM 0 H LEU B 5 -15.944 -0.053 4.441 1.00 0.00 H new ATOM 0 HA LEU B 5 -13.413 -1.600 4.443 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -15.816 -1.469 2.665 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -14.259 -1.689 1.890 1.00 0.00 H new ATOM 0 HG LEU B 5 -15.150 -3.473 4.159 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -15.956 -5.069 2.463 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -16.896 -3.558 2.447 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -15.670 -3.856 1.193 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -13.576 -5.050 3.105 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -13.202 -3.837 1.858 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -12.777 -3.526 3.558 1.00 0.00 H new ATOM 559 N LYS B 6 -14.229 1.191 2.932 1.00 0.00 N ATOM 560 CA LYS B 6 -13.750 2.415 2.317 1.00 0.00 C ATOM 561 C LYS B 6 -12.605 3.030 3.121 1.00 0.00 C ATOM 562 O LYS B 6 -11.653 3.564 2.554 1.00 0.00 O ATOM 563 CB LYS B 6 -14.920 3.394 2.223 1.00 0.00 C ATOM 564 CG LYS B 6 -14.519 4.824 1.898 1.00 0.00 C ATOM 565 CD LYS B 6 -15.553 5.506 1.019 1.00 0.00 C ATOM 566 CE LYS B 6 -16.773 5.930 1.821 1.00 0.00 C ATOM 567 NZ LYS B 6 -16.721 7.370 2.194 1.00 0.00 N ATOM 0 H LYS B 6 -15.239 1.172 3.074 1.00 0.00 H new ATOM 0 HA LYS B 6 -13.362 2.192 1.323 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -15.612 3.041 1.459 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -15.460 3.387 3.170 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -14.397 5.388 2.823 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -13.553 4.826 1.394 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -15.108 6.379 0.543 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -15.858 4.829 0.221 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -17.674 5.738 1.239 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -16.842 5.324 2.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -17.571 7.618 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -15.875 7.549 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -16.681 7.951 1.332 1.00 0.00 H new ATOM 581 N LYS B 7 -12.708 2.956 4.446 1.00 0.00 N ATOM 582 CA LYS B 7 -11.684 3.514 5.321 1.00 0.00 C ATOM 583 C LYS B 7 -10.501 2.559 5.473 1.00 0.00 C ATOM 584 O LYS B 7 -9.381 2.988 5.747 1.00 0.00 O ATOM 585 CB LYS B 7 -12.278 3.849 6.695 1.00 0.00 C ATOM 586 CG LYS B 7 -12.494 2.636 7.590 1.00 0.00 C ATOM 587 CD LYS B 7 -13.588 2.889 8.616 1.00 0.00 C ATOM 588 CE LYS B 7 -13.194 3.983 9.597 1.00 0.00 C ATOM 589 NZ LYS B 7 -13.333 3.538 11.012 1.00 0.00 N ATOM 0 H LYS B 7 -13.488 2.516 4.934 1.00 0.00 H new ATOM 0 HA LYS B 7 -11.317 4.432 4.862 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -11.616 4.550 7.204 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -13.232 4.357 6.553 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -12.760 1.774 6.978 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -11.564 2.390 8.102 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -14.508 3.172 8.105 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -13.796 1.968 9.161 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -12.163 4.283 9.411 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -13.817 4.862 9.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -13.055 4.312 11.648 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -14.322 3.275 11.198 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -12.719 2.715 11.179 1.00 0.00 H new ATOM 603 N ARG B 8 -10.754 1.266 5.298 1.00 0.00 N ATOM 604 CA ARG B 8 -9.700 0.266 5.421 1.00 0.00 C ATOM 605 C ARG B 8 -8.691 0.389 4.280 1.00 0.00 C ATOM 606 O ARG B 8 -7.534 -0.011 4.416 1.00 0.00 O ATOM 607 CB ARG B 8 -10.302 -1.146 5.471 1.00 0.00 C ATOM 608 CG ARG B 8 -10.585 -1.765 4.106 1.00 0.00 C ATOM 609 CD ARG B 8 -9.739 -3.010 3.869 1.00 0.00 C ATOM 610 NE ARG B 8 -10.554 -4.221 3.796 1.00 0.00 N ATOM 611 CZ ARG B 8 -10.950 -4.917 4.861 1.00 0.00 C ATOM 612 NH1 ARG B 8 -10.622 -4.519 6.084 1.00 0.00 N ATOM 613 NH2 ARG B 8 -11.680 -6.011 4.701 1.00 0.00 N ATOM 0 H ARG B 8 -11.674 0.888 5.072 1.00 0.00 H new ATOM 0 HA ARG B 8 -9.168 0.445 6.355 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -9.620 -1.798 6.017 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.232 -1.110 6.039 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -11.642 -2.023 4.035 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.383 -1.033 3.325 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -9.177 -2.895 2.942 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.010 -3.112 4.673 1.00 0.00 H new ATOM 0 HE ARG B 8 -10.837 -4.553 2.874 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -10.063 -3.675 6.213 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -10.929 -5.057 6.895 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -11.938 -6.319 3.764 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -11.984 -6.545 5.515 1.00 0.00 H new ATOM 627 N VAL B 9 -9.135 0.948 3.157 1.00 0.00 N ATOM 628 CA VAL B 9 -8.269 1.126 1.997 1.00 0.00 C ATOM 629 C VAL B 9 -7.071 2.005 2.340 1.00 0.00 C ATOM 630 O VAL B 9 -5.941 1.706 1.955 1.00 0.00 O ATOM 631 CB VAL B 9 -9.033 1.758 0.814 1.00 0.00 C ATOM 632 CG1 VAL B 9 -8.134 1.872 -0.410 1.00 0.00 C ATOM 633 CG2 VAL B 9 -10.282 0.952 0.494 1.00 0.00 C ATOM 0 H VAL B 9 -10.089 1.285 3.027 1.00 0.00 H new ATOM 0 HA VAL B 9 -7.921 0.135 1.706 1.00 0.00 H new ATOM 0 HB VAL B 9 -9.340 2.763 1.102 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -8.693 2.320 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -7.274 2.498 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -7.791 0.880 -0.703 1.00 0.00 H new ATOM 0 HG21 VAL B 9 -10.808 1.412 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL B 9 -10.000 -0.067 0.229 1.00 0.00 H new ATOM 0 HG23 VAL B 9 -10.935 0.932 1.366 1.00 0.00 H new ATOM 643 N GLN B 10 -7.327 3.090 3.064 1.00 0.00 N ATOM 644 CA GLN B 10 -6.267 4.013 3.456 1.00 0.00 C ATOM 645 C GLN B 10 -5.126 3.275 4.153 1.00 0.00 C ATOM 646 O GLN B 10 -3.988 3.734 4.153 1.00 0.00 O ATOM 647 CB GLN B 10 -6.822 5.107 4.373 1.00 0.00 C ATOM 648 CG GLN B 10 -7.201 4.613 5.761 1.00 0.00 C ATOM 649 CD GLN B 10 -6.248 5.100 6.835 1.00 0.00 C ATOM 650 OE1 GLN B 10 -5.116 5.487 6.547 1.00 0.00 O ATOM 651 NE2 GLN B 10 -6.703 5.082 8.082 1.00 0.00 N ATOM 0 H GLN B 10 -8.257 3.352 3.391 1.00 0.00 H new ATOM 0 HA GLN B 10 -5.874 4.475 2.551 1.00 0.00 H new ATOM 0 HB2 GLN B 10 -6.079 5.898 4.470 1.00 0.00 H new ATOM 0 HB3 GLN B 10 -7.700 5.550 3.903 1.00 0.00 H new ATOM 0 HG2 GLN B 10 -8.211 4.947 5.998 1.00 0.00 H new ATOM 0 HG3 GLN B 10 -7.218 3.523 5.762 1.00 0.00 H new ATOM 0 HE21 GLN B 10 -7.649 4.753 8.275 1.00 0.00 H new ATOM 0 HE22 GLN B 10 -6.107 5.397 8.847 1.00 0.00 H new ATOM 660 N ALA B 11 -5.441 2.128 4.747 1.00 0.00 N ATOM 661 CA ALA B 11 -4.440 1.331 5.447 1.00 0.00 C ATOM 662 C ALA B 11 -3.548 0.558 4.475 1.00 0.00 C ATOM 663 O ALA B 11 -2.628 -0.142 4.896 1.00 0.00 O ATOM 664 CB ALA B 11 -5.117 0.374 6.414 1.00 0.00 C ATOM 0 H ALA B 11 -6.380 1.730 4.758 1.00 0.00 H new ATOM 0 HA ALA B 11 -3.802 2.016 6.005 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -4.361 -0.216 6.931 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -5.695 0.942 7.143 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -5.781 -0.291 5.862 1.00 0.00 H new ATOM 670 N LEU B 12 -3.821 0.681 3.176 1.00 0.00 N ATOM 671 CA LEU B 12 -3.033 -0.018 2.166 1.00 0.00 C ATOM 672 C LEU B 12 -2.240 0.968 1.309 1.00 0.00 C ATOM 673 O LEU B 12 -1.100 0.699 0.935 1.00 0.00 O ATOM 674 CB LEU B 12 -3.936 -0.869 1.265 1.00 0.00 C ATOM 675 CG LEU B 12 -5.209 -1.409 1.926 1.00 0.00 C ATOM 676 CD1 LEU B 12 -6.301 -1.618 0.891 1.00 0.00 C ATOM 677 CD2 LEU B 12 -4.920 -2.708 2.663 1.00 0.00 C ATOM 0 H LEU B 12 -4.577 1.255 2.802 1.00 0.00 H new ATOM 0 HA LEU B 12 -2.334 -0.670 2.689 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.223 -0.272 0.400 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -3.356 -1.713 0.892 1.00 0.00 H new ATOM 0 HG LEU B 12 -5.557 -0.672 2.650 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -7.197 -2.002 1.380 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.530 -0.669 0.407 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.961 -2.334 0.143 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -5.836 -3.075 3.126 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -4.546 -3.451 1.958 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -4.170 -2.530 3.434 1.00 0.00 H new ATOM 689 N LYS B 13 -2.856 2.102 0.991 1.00 0.00 N ATOM 690 CA LYS B 13 -2.207 3.118 0.165 1.00 0.00 C ATOM 691 C LYS B 13 -1.431 4.124 1.012 1.00 0.00 C ATOM 692 O LYS B 13 -0.480 4.743 0.532 1.00 0.00 O ATOM 693 CB LYS B 13 -3.235 3.846 -0.707 1.00 0.00 C ATOM 694 CG LYS B 13 -4.471 4.317 0.045 1.00 0.00 C ATOM 695 CD LYS B 13 -4.133 5.421 1.031 1.00 0.00 C ATOM 696 CE LYS B 13 -5.212 6.493 1.064 1.00 0.00 C ATOM 697 NZ LYS B 13 -4.719 7.792 0.529 1.00 0.00 N ATOM 0 H LYS B 13 -3.801 2.342 1.291 1.00 0.00 H new ATOM 0 HA LYS B 13 -1.495 2.603 -0.481 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.756 4.708 -1.171 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -3.546 3.182 -1.514 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -5.216 4.677 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -4.917 3.477 0.577 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.012 4.995 2.027 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -3.179 5.873 0.759 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -6.071 6.162 0.480 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.557 6.630 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.483 8.496 0.568 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.915 8.121 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.413 7.668 -0.457 1.00 0.00 H new ATOM 711 N ALA B 14 -1.833 4.289 2.270 1.00 0.00 N ATOM 712 CA ALA B 14 -1.159 5.226 3.164 1.00 0.00 C ATOM 713 C ALA B 14 0.319 4.879 3.301 1.00 0.00 C ATOM 714 O ALA B 14 1.189 5.710 3.042 1.00 0.00 O ATOM 715 CB ALA B 14 -1.827 5.234 4.530 1.00 0.00 C ATOM 0 H ALA B 14 -2.617 3.790 2.691 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.238 6.223 2.730 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.311 5.938 5.183 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -2.869 5.534 4.424 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -1.780 4.235 4.964 1.00 0.00 H new ATOM 721 N ARG B 15 0.593 3.644 3.706 1.00 0.00 N ATOM 722 CA ARG B 15 1.965 3.182 3.875 1.00 0.00 C ATOM 723 C ARG B 15 2.599 2.876 2.522 1.00 0.00 C ATOM 724 O ARG B 15 3.706 3.329 2.229 1.00 0.00 O ATOM 725 CB ARG B 15 2.001 1.937 4.763 1.00 0.00 C ATOM 726 CG ARG B 15 3.405 1.414 5.019 1.00 0.00 C ATOM 727 CD ARG B 15 3.996 2.006 6.289 1.00 0.00 C ATOM 728 NE ARG B 15 3.809 1.130 7.442 1.00 0.00 N ATOM 729 CZ ARG B 15 3.897 1.539 8.706 1.00 0.00 C ATOM 730 NH1 ARG B 15 4.169 2.808 8.982 1.00 0.00 N ATOM 731 NH2 ARG B 15 3.713 0.676 9.696 1.00 0.00 N ATOM 0 H ARG B 15 -0.117 2.945 3.923 1.00 0.00 H new ATOM 0 HA ARG B 15 2.536 3.976 4.356 1.00 0.00 H new ATOM 0 HB2 ARG B 15 1.528 2.168 5.718 1.00 0.00 H new ATOM 0 HB3 ARG B 15 1.409 1.150 4.296 1.00 0.00 H new ATOM 0 HG2 ARG B 15 3.381 0.327 5.100 1.00 0.00 H new ATOM 0 HG3 ARG B 15 4.045 1.656 4.171 1.00 0.00 H new ATOM 0 HD2 ARG B 15 5.060 2.189 6.142 1.00 0.00 H new ATOM 0 HD3 ARG B 15 3.531 2.972 6.489 1.00 0.00 H new ATOM 0 HE ARG B 15 3.599 0.147 7.269 1.00 0.00 H new ATOM 0 HH11 ARG B 15 4.312 3.475 8.224 1.00 0.00 H new ATOM 0 HH12 ARG B 15 4.235 3.116 9.952 1.00 0.00 H new ATOM 0 HH21 ARG B 15 3.504 -0.301 9.489 1.00 0.00 H new ATOM 0 HH22 ARG B 15 3.780 0.989 10.664 1.00 0.00 H new ATOM 745 N ASN B 16 1.886 2.108 1.700 1.00 0.00 N ATOM 746 CA ASN B 16 2.374 1.738 0.374 1.00 0.00 C ATOM 747 C ASN B 16 2.831 2.965 -0.407 1.00 0.00 C ATOM 748 O ASN B 16 3.872 2.942 -1.065 1.00 0.00 O ATOM 749 CB ASN B 16 1.277 1.002 -0.402 1.00 0.00 C ATOM 750 CG ASN B 16 1.695 0.656 -1.819 1.00 0.00 C ATOM 751 OD1 ASN B 16 2.796 0.156 -2.050 1.00 0.00 O ATOM 752 ND2 ASN B 16 0.814 0.920 -2.778 1.00 0.00 N ATOM 0 H ASN B 16 0.967 1.730 1.930 1.00 0.00 H new ATOM 0 HA ASN B 16 3.232 1.078 0.501 1.00 0.00 H new ATOM 0 HB2 ASN B 16 1.014 0.087 0.129 1.00 0.00 H new ATOM 0 HB3 ASN B 16 0.381 1.622 -0.433 1.00 0.00 H new ATOM 0 HD21 ASN B 16 1.039 0.708 -3.750 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -0.087 1.335 -2.542 1.00 0.00 H new ATOM 759 N TYR B 17 2.049 4.038 -0.332 1.00 0.00 N ATOM 760 CA TYR B 17 2.378 5.272 -1.034 1.00 0.00 C ATOM 761 C TYR B 17 3.783 5.744 -0.667 1.00 0.00 C ATOM 762 O TYR B 17 4.523 6.242 -1.516 1.00 0.00 O ATOM 763 CB TYR B 17 1.355 6.363 -0.705 1.00 0.00 C ATOM 764 CG TYR B 17 1.700 7.715 -1.289 1.00 0.00 C ATOM 765 CD1 TYR B 17 1.991 7.856 -2.641 1.00 0.00 C ATOM 766 CD2 TYR B 17 1.736 8.849 -0.488 1.00 0.00 C ATOM 767 CE1 TYR B 17 2.309 9.090 -3.176 1.00 0.00 C ATOM 768 CE2 TYR B 17 2.053 10.087 -1.017 1.00 0.00 C ATOM 769 CZ TYR B 17 2.339 10.201 -2.361 1.00 0.00 C ATOM 770 OH TYR B 17 2.654 11.431 -2.891 1.00 0.00 O ATOM 0 H TYR B 17 1.184 4.077 0.207 1.00 0.00 H new ATOM 0 HA TYR B 17 2.348 5.072 -2.105 1.00 0.00 H new ATOM 0 HB2 TYR B 17 0.377 6.056 -1.076 1.00 0.00 H new ATOM 0 HB3 TYR B 17 1.271 6.455 0.378 1.00 0.00 H new ATOM 0 HD1 TYR B 17 1.968 6.988 -3.283 1.00 0.00 H new ATOM 0 HD2 TYR B 17 1.513 8.763 0.565 1.00 0.00 H new ATOM 0 HE1 TYR B 17 2.533 9.183 -4.228 1.00 0.00 H new ATOM 0 HE2 TYR B 17 2.076 10.959 -0.381 1.00 0.00 H new ATOM 0 HH TYR B 17 2.630 12.108 -2.183 1.00 0.00 H new ATOM 780 N ALA B 18 4.142 5.580 0.600 1.00 0.00 N ATOM 781 CA ALA B 18 5.455 5.984 1.080 1.00 0.00 C ATOM 782 C ALA B 18 6.532 5.026 0.591 1.00 0.00 C ATOM 783 O ALA B 18 7.590 5.452 0.128 1.00 0.00 O ATOM 784 CB ALA B 18 5.462 6.060 2.600 1.00 0.00 C ATOM 0 H ALA B 18 3.540 5.169 1.314 1.00 0.00 H new ATOM 0 HA ALA B 18 5.674 6.973 0.679 1.00 0.00 H new ATOM 0 HB1 ALA B 18 6.451 6.363 2.945 1.00 0.00 H new ATOM 0 HB2 ALA B 18 4.723 6.789 2.931 1.00 0.00 H new ATOM 0 HB3 ALA B 18 5.218 5.082 3.014 1.00 0.00 H new ATOM 790 N LEU B 19 6.257 3.729 0.688 1.00 0.00 N ATOM 791 CA LEU B 19 7.213 2.722 0.244 1.00 0.00 C ATOM 792 C LEU B 19 7.472 2.871 -1.249 1.00 0.00 C ATOM 793 O LEU B 19 8.609 3.063 -1.674 1.00 0.00 O ATOM 794 CB LEU B 19 6.713 1.304 0.542 1.00 0.00 C ATOM 795 CG LEU B 19 5.811 1.164 1.770 1.00 0.00 C ATOM 796 CD1 LEU B 19 5.568 -0.304 2.087 1.00 0.00 C ATOM 797 CD2 LEU B 19 6.423 1.873 2.969 1.00 0.00 C ATOM 0 H LEU B 19 5.388 3.353 1.067 1.00 0.00 H new ATOM 0 HA LEU B 19 8.141 2.878 0.794 1.00 0.00 H new ATOM 0 HB2 LEU B 19 6.169 0.940 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.578 0.653 0.673 1.00 0.00 H new ATOM 0 HG LEU B 19 4.853 1.633 1.547 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.925 -0.385 2.963 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.085 -0.785 1.236 1.00 0.00 H new ATOM 0 HD13 LEU B 19 6.520 -0.795 2.289 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.766 1.762 3.832 1.00 0.00 H new ATOM 0 HD22 LEU B 19 7.395 1.434 3.194 1.00 0.00 H new ATOM 0 HD23 LEU B 19 6.547 2.932 2.741 1.00 0.00 H new ATOM 809 N LYS B 20 6.401 2.789 -2.037 1.00 0.00 N ATOM 810 CA LYS B 20 6.488 2.916 -3.492 1.00 0.00 C ATOM 811 C LYS B 20 7.433 4.042 -3.905 1.00 0.00 C ATOM 812 O LYS B 20 8.065 3.979 -4.959 1.00 0.00 O ATOM 813 CB LYS B 20 5.099 3.177 -4.075 1.00 0.00 C ATOM 814 CG LYS B 20 4.854 2.490 -5.409 1.00 0.00 C ATOM 815 CD LYS B 20 3.381 2.517 -5.785 1.00 0.00 C ATOM 816 CE LYS B 20 3.169 2.161 -7.248 1.00 0.00 C ATOM 817 NZ LYS B 20 2.237 3.109 -7.920 1.00 0.00 N ATOM 0 H LYS B 20 5.455 2.634 -1.689 1.00 0.00 H new ATOM 0 HA LYS B 20 6.886 1.979 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS B 20 4.347 2.842 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS B 20 4.964 4.251 -4.200 1.00 0.00 H new ATOM 0 HG2 LYS B 20 5.438 2.982 -6.186 1.00 0.00 H new ATOM 0 HG3 LYS B 20 5.199 1.457 -5.357 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.832 1.816 -5.156 1.00 0.00 H new ATOM 0 HD3 LYS B 20 2.973 3.509 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS B 20 4.128 2.166 -7.766 1.00 0.00 H new ATOM 0 HE3 LYS B 20 2.773 1.148 -7.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 2.119 2.832 -8.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 1.314 3.086 -7.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 2.627 4.072 -7.872 1.00 0.00 H new ATOM 831 N GLN B 21 7.514 5.072 -3.074 1.00 0.00 N ATOM 832 CA GLN B 21 8.370 6.216 -3.359 1.00 0.00 C ATOM 833 C GLN B 21 9.790 6.005 -2.835 1.00 0.00 C ATOM 834 O GLN B 21 10.763 6.382 -3.489 1.00 0.00 O ATOM 835 CB GLN B 21 7.774 7.485 -2.748 1.00 0.00 C ATOM 836 CG GLN B 21 8.547 8.747 -3.094 1.00 0.00 C ATOM 837 CD GLN B 21 9.489 9.176 -1.986 1.00 0.00 C ATOM 838 OE1 GLN B 21 10.333 8.400 -1.539 1.00 0.00 O ATOM 839 NE2 GLN B 21 9.349 10.417 -1.536 1.00 0.00 N ATOM 0 H GLN B 21 6.998 5.139 -2.197 1.00 0.00 H new ATOM 0 HA GLN B 21 8.426 6.324 -4.442 1.00 0.00 H new ATOM 0 HB2 GLN B 21 6.745 7.594 -3.090 1.00 0.00 H new ATOM 0 HB3 GLN B 21 7.740 7.375 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.118 8.580 -4.007 1.00 0.00 H new ATOM 0 HG3 GLN B 21 7.844 9.554 -3.301 1.00 0.00 H new ATOM 0 HE21 GLN B 21 8.636 11.027 -1.935 1.00 0.00 H new ATOM 0 HE22 GLN B 21 9.955 10.761 -0.791 1.00 0.00 H new ATOM 848 N LYS B 22 9.904 5.424 -1.645 1.00 0.00 N ATOM 849 CA LYS B 22 11.208 5.191 -1.029 1.00 0.00 C ATOM 850 C LYS B 22 11.799 3.827 -1.395 1.00 0.00 C ATOM 851 O LYS B 22 12.896 3.491 -0.950 1.00 0.00 O ATOM 852 CB LYS B 22 11.097 5.307 0.491 1.00 0.00 C ATOM 853 CG LYS B 22 10.137 4.301 1.102 1.00 0.00 C ATOM 854 CD LYS B 22 10.818 3.438 2.154 1.00 0.00 C ATOM 855 CE LYS B 22 11.044 4.206 3.445 1.00 0.00 C ATOM 856 NZ LYS B 22 9.773 4.433 4.187 1.00 0.00 N ATOM 0 H LYS B 22 9.111 5.106 -1.088 1.00 0.00 H new ATOM 0 HA LYS B 22 11.882 5.954 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS B 22 12.084 5.170 0.932 1.00 0.00 H new ATOM 0 HB3 LYS B 22 10.769 6.314 0.749 1.00 0.00 H new ATOM 0 HG2 LYS B 22 9.296 4.828 1.553 1.00 0.00 H new ATOM 0 HG3 LYS B 22 9.730 3.664 0.317 1.00 0.00 H new ATOM 0 HD2 LYS B 22 10.207 2.558 2.355 1.00 0.00 H new ATOM 0 HD3 LYS B 22 11.774 3.081 1.770 1.00 0.00 H new ATOM 0 HE2 LYS B 22 11.740 3.655 4.078 1.00 0.00 H new ATOM 0 HE3 LYS B 22 11.509 5.166 3.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 9.987 4.758 5.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 9.209 5.155 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 9.234 3.545 4.233 1.00 0.00 H new ATOM 870 N VAL B 23 11.083 3.035 -2.195 1.00 0.00 N ATOM 871 CA VAL B 23 11.579 1.713 -2.582 1.00 0.00 C ATOM 872 C VAL B 23 13.021 1.793 -3.077 1.00 0.00 C ATOM 873 O VAL B 23 13.930 1.228 -2.468 1.00 0.00 O ATOM 874 CB VAL B 23 10.719 1.060 -3.684 1.00 0.00 C ATOM 875 CG1 VAL B 23 11.189 -0.362 -3.950 1.00 0.00 C ATOM 876 CG2 VAL B 23 9.249 1.072 -3.304 1.00 0.00 C ATOM 0 H VAL B 23 10.172 3.280 -2.583 1.00 0.00 H new ATOM 0 HA VAL B 23 11.523 1.096 -1.685 1.00 0.00 H new ATOM 0 HB VAL B 23 10.837 1.643 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL B 23 10.572 -0.809 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL B 23 12.230 -0.347 -4.274 1.00 0.00 H new ATOM 0 HG13 VAL B 23 11.102 -0.951 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL B 23 8.664 0.606 -4.097 1.00 0.00 H new ATOM 0 HG22 VAL B 23 9.109 0.518 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL B 23 8.917 2.101 -3.165 1.00 0.00 H new ATOM 886 N GLN B 24 13.220 2.499 -4.184 1.00 0.00 N ATOM 887 CA GLN B 24 14.549 2.656 -4.762 1.00 0.00 C ATOM 888 C GLN B 24 15.465 3.418 -3.811 1.00 0.00 C ATOM 889 O GLN B 24 16.663 3.145 -3.735 1.00 0.00 O ATOM 890 CB GLN B 24 14.466 3.386 -6.104 1.00 0.00 C ATOM 891 CG GLN B 24 13.321 2.912 -6.985 1.00 0.00 C ATOM 892 CD GLN B 24 13.673 2.932 -8.460 1.00 0.00 C ATOM 893 OE1 GLN B 24 14.742 3.404 -8.848 1.00 0.00 O ATOM 894 NE2 GLN B 24 12.772 2.418 -9.289 1.00 0.00 N ATOM 0 H GLN B 24 12.478 2.972 -4.699 1.00 0.00 H new ATOM 0 HA GLN B 24 14.966 1.662 -4.926 1.00 0.00 H new ATOM 0 HB2 GLN B 24 14.354 4.455 -5.921 1.00 0.00 H new ATOM 0 HB3 GLN B 24 15.406 3.252 -6.640 1.00 0.00 H new ATOM 0 HG2 GLN B 24 13.040 1.899 -6.696 1.00 0.00 H new ATOM 0 HG3 GLN B 24 12.450 3.545 -6.814 1.00 0.00 H new ATOM 0 HE21 GLN B 24 11.900 2.038 -8.922 1.00 0.00 H new ATOM 0 HE22 GLN B 24 12.952 2.403 -10.293 1.00 0.00 H new ATOM 903 N ALA B 25 14.891 4.372 -3.085 1.00 0.00 N ATOM 904 CA ALA B 25 15.655 5.171 -2.135 1.00 0.00 C ATOM 905 C ALA B 25 16.310 4.284 -1.081 1.00 0.00 C ATOM 906 O ALA B 25 17.384 4.598 -0.569 1.00 0.00 O ATOM 907 CB ALA B 25 14.759 6.207 -1.474 1.00 0.00 C ATOM 0 H ALA B 25 13.901 4.610 -3.137 1.00 0.00 H new ATOM 0 HA ALA B 25 16.444 5.688 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA B 25 15.344 6.796 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA B 25 14.340 6.865 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.950 5.704 -0.945 1.00 0.00 H new ATOM 913 N LEU B 26 15.654 3.172 -0.765 1.00 0.00 N ATOM 914 CA LEU B 26 16.172 2.234 0.225 1.00 0.00 C ATOM 915 C LEU B 26 17.372 1.473 -0.328 1.00 0.00 C ATOM 916 O LEU B 26 18.482 1.583 0.191 1.00 0.00 O ATOM 917 CB LEU B 26 15.078 1.251 0.648 1.00 0.00 C ATOM 918 CG LEU B 26 13.980 1.845 1.530 1.00 0.00 C ATOM 919 CD1 LEU B 26 12.882 0.823 1.779 1.00 0.00 C ATOM 920 CD2 LEU B 26 14.562 2.341 2.847 1.00 0.00 C ATOM 0 H LEU B 26 14.763 2.898 -1.180 1.00 0.00 H new ATOM 0 HA LEU B 26 16.495 2.802 1.097 1.00 0.00 H new ATOM 0 HB2 LEU B 26 14.618 0.836 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.542 0.422 1.181 1.00 0.00 H new ATOM 0 HG LEU B 26 13.542 2.696 1.008 1.00 0.00 H new ATOM 0 HD11 LEU B 26 12.110 1.265 2.409 1.00 0.00 H new ATOM 0 HD12 LEU B 26 12.445 0.520 0.828 1.00 0.00 H new ATOM 0 HD13 LEU B 26 13.303 -0.049 2.279 1.00 0.00 H new ATOM 0 HD21 LEU B 26 13.766 2.760 3.462 1.00 0.00 H new ATOM 0 HD22 LEU B 26 15.028 1.509 3.375 1.00 0.00 H new ATOM 0 HD23 LEU B 26 15.310 3.109 2.648 1.00 0.00 H new ATOM 932 N ARG B 27 17.141 0.704 -1.388 1.00 0.00 N ATOM 933 CA ARG B 27 18.206 -0.073 -2.015 1.00 0.00 C ATOM 934 C ARG B 27 19.353 0.828 -2.460 1.00 0.00 C ATOM 935 O ARG B 27 20.501 0.393 -2.540 1.00 0.00 O ATOM 936 CB ARG B 27 17.662 -0.857 -3.212 1.00 0.00 C ATOM 937 CG ARG B 27 16.771 -0.036 -4.130 1.00 0.00 C ATOM 938 CD ARG B 27 15.468 -0.757 -4.434 1.00 0.00 C ATOM 939 NE ARG B 27 14.998 -0.492 -5.792 1.00 0.00 N ATOM 940 CZ ARG B 27 15.634 -0.897 -6.889 1.00 0.00 C ATOM 941 NH1 ARG B 27 16.769 -1.579 -6.794 1.00 0.00 N ATOM 942 NH2 ARG B 27 15.135 -0.616 -8.085 1.00 0.00 N ATOM 0 H ARG B 27 16.228 0.602 -1.830 1.00 0.00 H new ATOM 0 HA ARG B 27 18.589 -0.775 -1.274 1.00 0.00 H new ATOM 0 HB2 ARG B 27 18.500 -1.248 -3.789 1.00 0.00 H new ATOM 0 HB3 ARG B 27 17.098 -1.715 -2.846 1.00 0.00 H new ATOM 0 HG2 ARG B 27 16.556 0.926 -3.665 1.00 0.00 H new ATOM 0 HG3 ARG B 27 17.299 0.171 -5.061 1.00 0.00 H new ATOM 0 HD2 ARG B 27 15.608 -1.830 -4.302 1.00 0.00 H new ATOM 0 HD3 ARG B 27 14.706 -0.445 -3.720 1.00 0.00 H new ATOM 0 HE ARG B 27 14.132 0.034 -5.906 1.00 0.00 H new ATOM 0 HH11 ARG B 27 17.159 -1.796 -5.877 1.00 0.00 H new ATOM 0 HH12 ARG B 27 17.251 -1.886 -7.638 1.00 0.00 H new ATOM 0 HH21 ARG B 27 14.265 -0.090 -8.164 1.00 0.00 H new ATOM 0 HH22 ARG B 27 15.622 -0.926 -8.926 1.00 0.00 H new ATOM 956 N HIS B 28 19.036 2.088 -2.748 1.00 0.00 N ATOM 957 CA HIS B 28 20.045 3.048 -3.183 1.00 0.00 C ATOM 958 C HIS B 28 21.132 3.213 -2.125 1.00 0.00 C ATOM 959 O HIS B 28 22.286 2.846 -2.344 1.00 0.00 O ATOM 960 CB HIS B 28 19.395 4.403 -3.480 1.00 0.00 C ATOM 961 CG HIS B 28 19.317 4.720 -4.941 1.00 0.00 C ATOM 962 ND1 HIS B 28 19.385 3.773 -5.939 1.00 0.00 N ATOM 963 CD2 HIS B 28 19.172 5.916 -5.569 1.00 0.00 C ATOM 964 CE1 HIS B 28 19.281 4.407 -7.115 1.00 0.00 C ATOM 965 NE2 HIS B 28 19.149 5.708 -6.946 1.00 0.00 N ATOM 0 H HIS B 28 18.091 2.467 -2.688 1.00 0.00 H new ATOM 0 HA HIS B 28 20.506 2.666 -4.094 1.00 0.00 H new ATOM 0 HB2 HIS B 28 18.389 4.415 -3.060 1.00 0.00 H new ATOM 0 HB3 HIS B 28 19.960 5.187 -2.976 1.00 0.00 H new ATOM 0 HD2 HIS B 28 19.088 6.875 -5.079 1.00 0.00 H new ATOM 0 HE1 HIS B 28 19.303 3.916 -8.077 1.00 0.00 H new ATOM 0 HE2 HIS B 28 19.050 6.416 -7.674 1.00 0.00 H new ATOM 973 N LYS B 29 20.753 3.767 -0.977 1.00 0.00 N ATOM 974 CA LYS B 29 21.695 3.980 0.115 1.00 0.00 C ATOM 975 C LYS B 29 22.111 2.654 0.742 1.00 0.00 C ATOM 976 O LYS B 29 21.574 1.599 0.404 1.00 0.00 O ATOM 977 CB LYS B 29 21.075 4.888 1.179 1.00 0.00 C ATOM 978 CG LYS B 29 22.077 5.816 1.846 1.00 0.00 C ATOM 979 CD LYS B 29 21.400 7.054 2.411 1.00 0.00 C ATOM 980 CE LYS B 29 21.515 8.235 1.461 1.00 0.00 C ATOM 981 NZ LYS B 29 22.924 8.695 1.314 1.00 0.00 N ATOM 0 H LYS B 29 19.801 4.076 -0.780 1.00 0.00 H new ATOM 0 HA LYS B 29 22.583 4.462 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS B 29 20.288 5.486 0.720 1.00 0.00 H new ATOM 0 HB3 LYS B 29 20.602 4.269 1.942 1.00 0.00 H new ATOM 0 HG2 LYS B 29 22.590 5.284 2.647 1.00 0.00 H new ATOM 0 HG3 LYS B 29 22.836 6.113 1.123 1.00 0.00 H new ATOM 0 HD2 LYS B 29 20.348 6.840 2.601 1.00 0.00 H new ATOM 0 HD3 LYS B 29 21.851 7.311 3.369 1.00 0.00 H new ATOM 0 HE2 LYS B 29 21.121 7.955 0.484 1.00 0.00 H new ATOM 0 HE3 LYS B 29 20.901 9.057 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 22.935 9.701 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 23.427 8.567 2.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 23.395 8.138 0.573 1.00 0.00 H new ATOM 995 N GLY B 30 23.073 2.716 1.658 1.00 0.00 N ATOM 996 CA GLY B 30 23.546 1.514 2.318 1.00 0.00 C ATOM 997 C GLY B 30 23.089 1.426 3.761 1.00 0.00 C ATOM 998 O GLY B 30 21.891 1.472 4.045 1.00 0.00 O ATOM 0 H GLY B 30 23.533 3.577 1.954 1.00 0.00 H new ATOM 0 HA2 GLY B 30 23.189 0.640 1.773 1.00 0.00 H new ATOM 0 HA3 GLY B 30 24.635 1.489 2.283 1.00 0.00 H new HETATM 1002 N NH2 B 31 24.040 1.298 4.679 1.00 0.00 N TER 1005 NH2 B 31